| 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 | 46.1 | Very low | 51.9 | Low | 251 Ų | 251 | 144.1 Ų | 144.1 | 100% | 1.236 | 73% | 0.732 | S | S | * | * | 0 | 97 | 0 | -72.6 | -175.1 | -176.3 | 0 | 0 | 109.1 | |||||
| 2 | A | 47.3 | Very low | 52 | Low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -169.8 | 130.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 3 | H | 45.2 | Very low | 52.1 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 89% | 0.889 | 69% | 0.69 | S | S | * | * | -150.5 | 116.9 | 51.4 | -70.9 | -97 | 0 | 0 | 0 | 108.9 | |||||
| 4 | R | 52.9 | Low | 52.4 | Low | 235 Ų | 235 | 125.3 Ų | 125.3 | 89% | 0.887 | 66% | 0.657 | S | S | * | * | trans | -127.7 | 66.2 | 170.8 | -161.2 | -174.2 | 177.4 | -173.4 | 0.3 | 109.3 | ||||
| 5 | G | 53.8 | Low | 52.7 | Low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -157.5 | 101.6 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | G | 54.8 | Low | 53.1 | Low | 43 Ų | 43 | 138.6 Ų | 138.6 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | S | Bend | trans | 175.9 | -20.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F10 | G6-F10 VanDerWaalsContact O-CD2 3.28Å; G6-F10 WeakPolarHBondContact O-CD2 3.33Å; G6-F10 VanDerWaalsContact O-CE2 3.27Å; G6-F10 WeakPolarHBondContact O-CE2 3.14Å |
| 7 | E | 53.5 | Low | 53.5 | Low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -94 | -27 | -175.4 | -156.4 | -148.5 | 128.2 | 0 | 0 | 113.9 | D9 | E7-D9 VanDerWaalsContact C-N 3.31Å; E7-D9 PolarHBondContact O-N 2.97Å |
| 8 | R | 53.8 | Low | 53.9 | Low | 170 Ų | 170 | 131.7 Ų | 131.7 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.9 | -20.1 | -172 | -66.4 | -176.2 | -63.5 | -132.3 | -3 | 113.9 | T12 | R8-T12 WeakPolarHBondContact O-CG2 3.47Å; R8-T12 PolarHBondContact O-N 3.46Å; R8-T12 PolarHBondContact O-OG1 3.08Å |
| 9 | D | 55 | Low | 54.3 | Low | 109 Ų | 109 | 131.5 Ų | 131.5 | 58% | 0.583 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -85.1 | -20.7 | -175.2 | -56.6 | -43.2 | 0 | 0 | 0 | 112.5 | E7 T12 S13 | E7-D9 VanDerWaalsContact C-N 3.31Å; E7-D9 PolarHBondContact O-N 2.97Å; D9-T12 PolarHBondContact O-OG1 2.74Å; D9-S13 WeakPolarHBondContact O-CB 3.5Å; D9-S13 PolarHBondContact O-N 3.41Å; D9-S13 PolarHBondContact O-OG 3.27Å |
| 10 | F | 53.8 | Low | 55.2 | Low | 155 Ų | 155 | 125.9 Ų | 125.9 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.3 | -41.8 | 174.6 | -70.4 | -77.1 | 0 | 0 | 0 | 112.2 | G6 S13 A14 | G6-F10 VanDerWaalsContact O-CD2 3.28Å; G6-F10 WeakPolarHBondContact O-CD2 3.33Å; G6-F10 VanDerWaalsContact O-CE2 3.27Å; G6-F10 WeakPolarHBondContact O-CE2 3.14Å; F10-S13 WeakPolarHBondContact CA-OG 3.43Å; F10-S13 PolarHBondContact O-OG 2.98Å; F10-A14 VanDerWaalsContact O-CB 3.31Å; F10-A14 WeakPolarHBondContact O-CB 3.18Å; F10-A14 PolarHBondContact O-N 2.94Å |
| 11 | Q | 55.1 | Low | 56 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.9 | -31.3 | 178.2 | -70.6 | -161.9 | 36.2 | 0 | 0 | 112.8 | R15 | Q11-R15 WeakPolarHBondContact O-CB 3.34Å; Q11-R15 PolarHBondContact O-N 3.28Å |
| 12 | T | 52.7 | Low | 57.2 | Low | 83 Ų | 83 | 120 Ų | 120 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.1 | -36.3 | 179 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | R8 D9 R16 | R8-T12 WeakPolarHBondContact O-CG2 3.47Å; R8-T12 PolarHBondContact O-N 3.46Å; R8-T12 PolarHBondContact O-OG1 3.08Å; D9-T12 PolarHBondContact O-OG1 2.74Å; T12-R16 PolarHBondContact O-N 3.14Å |
| 13 | S | 53.9 | Low | 58.2 | Low | 58 Ų | 58 | 121.2 Ų | 121.2 | 41% | 0.406 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.7 | -43.2 | 174 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | D9 F10 R15 R16 M17 | D9-S13 WeakPolarHBondContact O-CB 3.5Å; D9-S13 PolarHBondContact O-N 3.41Å; D9-S13 PolarHBondContact O-OG 3.27Å; F10-S13 WeakPolarHBondContact CA-OG 3.43Å; F10-S13 PolarHBondContact O-OG 2.98Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 3.24Å; S13-R16 PolarHBondContact O-N 2.89Å; S13-R16 VanDerWaalsContact O-N 3.14Å; S13-M17 WeakPolarHBondContact O-CB 3.17Å; S13-M17 WeakPolarHBondContact O-CG 3.09Å; S13-M17 PolarHBondContact O-N 3.45Å; S13-M17 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 56.3 | Low | 59.4 | Low | 28 Ų | 28 | 116.3 Ų | 116.3 | 23% | 0.231 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -56 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F10 R16 M17 F23 | F10-A14 VanDerWaalsContact O-CB 3.31Å; F10-A14 WeakPolarHBondContact O-CB 3.18Å; F10-A14 PolarHBondContact O-N 2.94Å; A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.01Å; A14-M17 PolarHBondContact O-N 3.37Å; A14-M17 VanDerWaalsContact O-N 3.13Å; A14-F23 HydrophobicContact CB-CD2 4.12Å; A14-F23 HydrophobicContact CB-CE2 3.76Å; A14-F23 HydrophobicContact CB-CZ 4.32Å |
| 15 | R | 56.7 | Low | 60.3 | Low | 230 Ų | 230 | 110 Ų | 110 | 87% | 0.868 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.7 | -23 | 179.9 | -169.1 | 166.5 | 163.7 | -166.9 | -4.7 | 114.2 | Q11 S13 | Q11-R15 WeakPolarHBondContact O-CB 3.34Å; Q11-R15 PolarHBondContact O-N 3.28Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 3.24Å |
| 16 | R | 59 | Low | 61.1 | Low | 234 Ų | 234 | 108.7 Ų | 108.7 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -84.9 | -16.1 | 170.3 | -80.3 | -177.6 | 167.1 | 175.5 | -3.2 | 113.1 | T12 S13 A14 G18 | T12-R16 PolarHBondContact O-N 3.14Å; S13-R16 PolarHBondContact O-N 2.89Å; S13-R16 VanDerWaalsContact O-N 3.14Å; A14-R16 VanDerWaalsContact C-N 3.34Å; A14-R16 PolarHBondContact O-N 3.01Å; R16-G18 PolarHBondContact O-N 3.13Å |
| 17 | M | 59 | Low | 61.5 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | trans | -98.9 | 39 | -175.7 | -72.6 | -67.8 | -98.2 | 0 | 0 | 111.8 | S13 A14 T19 S20 | S13-M17 WeakPolarHBondContact O-CB 3.17Å; S13-M17 WeakPolarHBondContact O-CG 3.09Å; S13-M17 PolarHBondContact O-N 3.45Å; S13-M17 VanDerWaalsContact O-N 3.11Å; A14-M17 PolarHBondContact O-N 3.37Å; A14-M17 VanDerWaalsContact O-N 3.13Å; M17-T19 PolarHBondContact O-N 3.43Å; M17-S20 VanDerWaalsContact CE-CB 3.41Å; M17-S20 WeakPolarHBondContact CE-OG 3.31Å; M17-S20 WeakPolarHBondContact O-CB 3.37Å; M17-S20 PolarHBondContact O-N 3.11Å | ||
| 18 | G | 61.7 | Low | 61.9 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R16 | R16-G18 PolarHBondContact O-N 3.13Š|
| 19 | T | 61.8 | Low | 62.1 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 9.9 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | M17 L21 | M17-T19 PolarHBondContact O-N 3.43Å; T19-L21 PolarHBondContact O-N 3.3Å |
| 20 | S | 72.3 | Confident | 62.7 | Low | 18 Ų | 18 | 117.4 Ų | 117.4 | 13% | 0.126 | 59% | 0.585 | C | S | . | * | trans | -70.1 | 120 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | M17 L22 F23 Q24 | M17-S20 VanDerWaalsContact CE-CB 3.41Å; M17-S20 WeakPolarHBondContact CE-OG 3.31Å; M17-S20 WeakPolarHBondContact O-CB 3.37Å; M17-S20 PolarHBondContact O-N 3.11Å; S20-L22 PolarHBondContact O-N 3.14Å; S20-L22 PolarHBondContact OG-N 3.21Å; S20-F23 PolarHBondContact O-N 3.21Å; S20-F23 VanDerWaalsContact O-N 3.09Å; S20-Q24 WeakPolarHBondContact O-CG 3.39Å; S20-Q24 PolarHBondContact O-N 2.93Å | ||
| 21 | L | 70.8 | Confident | 63.5 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -52 | -42.3 | 173.8 | -174.9 | 68.8 | 0 | 0 | 0 | 111.5 | T19 F23 Q24 L25 | T19-L21 PolarHBondContact O-N 3.3Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.38Å; L21-Q24 PolarHBondContact O-N 3.03Å; L21-L25 HydrophobicContact CD1-CD1 4.08Å; L21-L25 HydrophobicContact CD1-CG 4.24Å; L21-L25 HydrophobicContact CD2-CD1 4.36Å; L21-L25 HydrophobicContact CG-CD1 3.76Å; L21-L25 HydrophobicContact CG-CG 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.16Å; L21-L25 PolarHBondContact O-N 2.71Å |
| 22 | L | 71.7 | Confident | 64.1 | Low | 139 Ų | 139 | 117 Ų | 117 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.8 | -34.5 | -179.3 | -65.4 | 177.5 | 0 | 0 | 0 | 112.9 | S20 S26 | S20-L22 PolarHBondContact O-N 3.14Å; S20-L22 PolarHBondContact OG-N 3.21Å; L22-S26 PolarHBondContact O-N 3.06Å; L22-S26 VanDerWaalsContact O-N 3.17Å |
| 23 | F | 68.9 | Low | 65.1 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 47% | 0.469 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75.3 | -39.4 | 176 | -177.5 | -104.1 | 0 | 0 | 0 | 111.4 | A14 S20 L21 L25 S26 | A14-F23 HydrophobicContact CB-CD2 4.12Å; A14-F23 HydrophobicContact CB-CE2 3.76Å; A14-F23 HydrophobicContact CB-CZ 4.32Å; S20-F23 PolarHBondContact O-N 3.21Å; S20-F23 VanDerWaalsContact O-N 3.09Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.38Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.03Å; F23-S26 WeakPolarHBondContact O-CB 3.17Å; F23-S26 PolarHBondContact O-N 3.26Å; F23-S26 VanDerWaalsContact O-N 3.14Å; F23-S26 PolarHBondContact O-OG 3.34Å |
| 24 | Q | 71 | Confident | 66.1 | Low | 90 Ų | 90 | 123 Ų | 123 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -31.8 | 176.4 | -68.9 | 173.5 | -9.9 | 0 | 0 | 113.1 | S20 L21 | S20-Q24 WeakPolarHBondContact O-CG 3.39Å; S20-Q24 PolarHBondContact O-N 2.93Å; L21-Q24 PolarHBondContact O-N 3.03Å |
| 25 | L | 70.6 | Confident | 66.9 | Low | 102 Ų | 102 | 126.5 Ų | 126.5 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | -6.5 | 174.1 | -65 | 176.8 | 0 | 0 | 0 | 113.3 | L21 F23 | L21-L25 HydrophobicContact CD1-CD1 4.08Å; L21-L25 HydrophobicContact CD1-CG 4.24Å; L21-L25 HydrophobicContact CD2-CD1 4.36Å; L21-L25 HydrophobicContact CG-CD1 3.76Å; L21-L25 HydrophobicContact CG-CG 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.16Å; L21-L25 PolarHBondContact O-N 2.71Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.03Å |
| 26 | S | 69.9 | Low | 67.5 | Low | 41 Ų | 41 | 122.5 Ų | 122.5 | 29% | 0.287 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -69.8 | 140.5 | -179.1 | 75.3 | 0 | 0 | 0 | 0 | 111 | L22 F23 H28 | L22-S26 PolarHBondContact O-N 3.06Å; L22-S26 VanDerWaalsContact O-N 3.17Å; F23-S26 WeakPolarHBondContact O-CB 3.17Å; F23-S26 PolarHBondContact O-N 3.26Å; F23-S26 VanDerWaalsContact O-N 3.14Å; F23-S26 PolarHBondContact O-OG 3.34Å; S26-H28 PolarHBondContact O-N 3.44Å |
| 27 | V | 63.3 | Low | 67.9 | Low | 122 Ų | 122 | 118.1 Ų | 118.1 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | trans | -68.2 | 5.8 | -171.3 | 166.8 | 0 | 0 | 0 | 0 | 114.4 | E29 | V27-E29 VanDerWaalsContact C-N 3.27Å; V27-E29 PolarHBondContact O-N 3.49Å | ||
| 28 | H | 62.9 | Low | 68.1 | Low | 169 Ų | 169 | 119.8 Ų | 119.8 | 78% | 0.782 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -71.1 | 72.9 | -173.9 | -108.4 | 83.6 | 0 | 0 | 0 | 112.6 | S26 | S26-H28 PolarHBondContact O-N 3.44Š|
| 29 | E | 58.4 | Low | 68.4 | Low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 85.4 | 16.4 | 172.1 | -49.9 | -92.1 | 136.2 | 0 | 0 | 116.4 | V27 | V27-E29 VanDerWaalsContact C-N 3.27Å; V27-E29 PolarHBondContact O-N 3.49Å |
| 30 | R | 66.9 | Low | 68.6 | Low | 169 Ų | 169 | 121.2 Ų | 121.2 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | trans | -106 | 117 | 174.1 | -68.8 | -170.9 | 171.1 | 172 | -3.5 | 110.9 | L32 | R30-L32 PolarHBondContact O-N 3.27Å; R30-L32 VanDerWaalsContact O-N 3.08Å | ||
| 31 | E | 71.1 | Confident | 67.9 | Low | 198 Ų | 198 | 130.1 Ų | 130.1 | 93% | 0.925 | 65% | 0.648 | S | S | * | * | trans | -60.1 | 109 | 162.1 | -174.6 | 174.5 | -169.8 | 0 | 0 | 107.2 | D33 | E31-D33 PolarHBondContact O-N 3.45Š| ||
| 32 | L | 68.3 | Low | 67.6 | Low | 85 Ų | 85 | 128.2 Ų | 128.2 | 45% | 0.445 | 65% | 0.649 | S | S | . | * | trans | -77.8 | 117.9 | -179.9 | -67 | 176.6 | 0 | 0 | 0 | 108.4 | R30 L34 | R30-L32 PolarHBondContact O-N 3.27Å; R30-L32 VanDerWaalsContact O-N 3.08Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 HydrophobicContact CB-CD2 4.3Å; L32-L34 HydrophobicContact CB-CG 4.27Å; L32-L34 PolarHBondContact O-N 3.09Å | ||
| 33 | D | 73.6 | Confident | 67.2 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | trans | -73.9 | 83.6 | 172.9 | -170.9 | 17.1 | 0 | 0 | 0 | 109.4 | E31 V35 | E31-D33 PolarHBondContact O-N 3.45Å; D33-V35 PolarHBondContact O-N 3.17Å | ||
| 34 | L | 73.7 | Confident | 66.8 | Low | 118 Ų | 118 | 129.1 Ų | 129.1 | 62% | 0.618 | 66% | 0.656 | S | S | * | * | trans | -78.4 | 104.8 | -178.8 | -66 | 176 | 0 | 0 | 0 | 109.9 | L32 F36 | L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 HydrophobicContact CB-CD2 4.3Å; L32-L34 HydrophobicContact CB-CG 4.27Å; L32-L34 PolarHBondContact O-N 3.09Å; L34-F36 HydrophobicContact CB-CE2 4.36Å | ||
| 35 | V | 72.8 | Confident | 66.4 | Low | 101 Ų | 101 | 136.7 Ų | 136.7 | 61% | 0.612 | 68% | 0.681 | S | S | * | * | trans | -90.4 | 106.5 | 173 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | D33 L37 | D33-V35 PolarHBondContact O-N 3.17Å; V35-L37 HydrophobicContact CG1-CD2 4.2Å; V35-L37 HydrophobicContact CG1-CG 4.46Å; V35-L37 PolarHBondContact O-N 2.68Å | ||
| 36 | F | 69.7 | Low | 65.8 | Low | 146 Ų | 146 | 134.1 Ų | 134.1 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | trans | -78.8 | 115.4 | 173.9 | -63.5 | -83.1 | 0 | 0 | 0 | 110 | L34 H39 | L34-F36 HydrophobicContact CB-CE2 4.36Å; F36-H39 WeakPolarHBondContact CB-CE1 3.27Å; F36-H39 WeakPolarHBondContact CB-NE2 3.28Å; F36-H39 AromaticContact CG-NE2 3.86Å; F36-H39 PolarHBondContact O-CE1 3.43Å; F36-H39 PolarHBondContact O-ND1 3.19Å | ||
| 37 | L | 66.7 | Low | 65.5 | Low | 142 Ų | 142 | 136.5 Ų | 136.5 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | -91.3 | -29 | -169.1 | -71.1 | 160.7 | 0 | 0 | 0 | 114.3 | V35 | V35-L37 HydrophobicContact CG1-CD2 4.2Å; V35-L37 HydrophobicContact CG1-CG 4.46Å; V35-L37 PolarHBondContact O-N 2.68Å | ||
| 38 | D | 65.1 | Low | 65.3 | Low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | trans | -123.8 | 43.8 | -163.8 | -63 | -45.8 | 0 | 0 | 0 | 114.8 | S40 | D38-S40 PolarHBondContact O-N 3.48Š| ||
| 39 | H | 66.3 | Low | 65.2 | Low | 117 Ų | 117 | 133.7 Ų | 133.7 | 54% | 0.542 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -62.7 | -11.5 | 177.3 | -55.2 | 95.4 | 0 | 0 | 0 | 114.4 | F36 Y41 A42 | F36-H39 WeakPolarHBondContact CB-CE1 3.27Å; F36-H39 WeakPolarHBondContact CB-NE2 3.28Å; F36-H39 AromaticContact CG-NE2 3.86Å; F36-H39 PolarHBondContact O-CE1 3.43Å; F36-H39 PolarHBondContact O-ND1 3.19Å; H39-Y41 PolarHBondContact O-N 2.98Å; H39-A42 WeakPolarHBondContact O-CB 3.33Å; H39-A42 PolarHBondContact O-N 3.18Å |
| 40 | S | 66.1 | Low | 65.3 | Low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -59.5 | -27 | -178.1 | -50.6 | 0 | 0 | 0 | 0 | 113.3 | D38 | D38-S40 PolarHBondContact O-N 3.48Š|
| 41 | Y | 58 | Low | 64.8 | Low | 206 Ų | 206 | 124.7 Ų | 124.7 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -98 | -4.3 | 176.2 | -60.7 | -76.4 | 0 | 0 | 0 | 113.7 | H39 K43 | H39-Y41 PolarHBondContact O-N 2.98Å; Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 3.03Å |
| 42 | A | 65.7 | Low | 64.2 | Low | 75 Ų | 75 | 118.2 Ų | 118.2 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -77.9 | -12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H39 P44 | H39-A42 WeakPolarHBondContact O-CB 3.33Å; H39-A42 PolarHBondContact O-N 3.18Å; A42-P44 VanDerWaalsContact O-CD 3.24Å; A42-P44 WeakPolarHBondContact O-CD 3.24Å |
| 43 | K | 62.5 | Low | 63.6 | Low | 173 Ų | 173 | 120 Ų | 120 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -74.4 | 112.7 | 165.6 | -74.6 | -179.9 | 179.4 | 173.8 | 0 | 107.4 | Y41 W45 | Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 3.03Å; K43-W45 PolarHBondContact O-N 3.11Å |
| 44 | P | 60.4 | Low | 63.1 | Low | 92 Ų | 92 | 116 Ų | 116 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | trans | -61.8 | 111.3 | 174.2 | 25.5 | -31.1 | 0 | 0 | 0 | 107.4 | A42 S46 A47 | A42-P44 VanDerWaalsContact O-CD 3.24Å; A42-P44 WeakPolarHBondContact O-CD 3.24Å; P44-S46 PolarHBondContact O-N 2.91Å; P44-S46 VanDerWaalsContact O-N 3.11Å; P44-A47 HydrophobicContact CB-CB 3.77Å; P44-A47 HydrophobicContact CG-CB 3.98Å | ||
| 45 | W | 63.1 | Low | 62.4 | Low | 249 Ų | 249 | 121 Ų | 121 | 94% | 0.943 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -58.6 | -19.7 | 171 | 165.3 | -89.6 | 0 | 0 | 0 | 111.3 | K43 | K43-W45 PolarHBondContact O-N 3.11Š|
| 46 | S | 57.2 | Low | 62.1 | Low | 48 Ų | 48 | 122.3 Ų | 122.3 | 34% | 0.336 | 67% | 0.667 | S | S | . | * | trans | -170.5 | 106.7 | 167.8 | 45 | 0 | 0 | 0 | 0 | 105.6 | P44 H48 A51 | P44-S46 PolarHBondContact O-N 2.91Å; P44-S46 VanDerWaalsContact O-N 3.11Å; S46-H48 PolarHBondContact O-N 3.41Å; S46-A51 VanDerWaalsContact CB-CB 3.47Å | ||
| 47 | A | 64 | Low | 61.7 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -68.4 | -2.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P44 | P44-A47 HydrophobicContact CB-CB 3.77Å; P44-A47 HydrophobicContact CG-CB 3.98Å |
| 48 | H | 59.7 | Low | 61.7 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 51% | 0.505 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -124.3 | 129.4 | -179.3 | -153.8 | -62.6 | 0 | 0 | 0 | 108.9 | S46 D50 A51 | S46-H48 PolarHBondContact O-N 3.41Å; H48-D50 WeakPolarHBondContact CB-OD1 3.05Å; H48-D50 IonicContact CD2-OD1 3.1Å; H48-D50 IonicContact CE1-OD1 3.92Å; H48-D50 PolarHBondContact CE1-OD1 3.36Å; H48-D50 IonicContact CE1-OD2 3.01Å; H48-D50 PolarHBondContact CE1-OD2 3.28Å; H48-D50 IonicContact CG-OD1 3.78Å; H48-D50 IonicContact CG-OD2 2.58Å; H48-D50 IonicContact ND1-OD1 2.93Å; H48-D50 PolarHBondContact ND1-OD1 3.03Å; H48-D50 IonicContact ND1-OD2 3.41Å; H48-D50 PolarHBondContact ND1-OD2 2.58Å; H48-D50 VanDerWaalsContact ND1-OD2 3.1Å; H48-D50 IonicContact NE2-OD2 3.74Å; H48-D50 PolarHBondContact O-N 3.1Å; H48-A51 WeakPolarHBondContact O-CB 3.48Å; H48-A51 PolarHBondContact O-N 2.97Å |
| 49 | P | 60.5 | Low | 61.8 | Low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -7.1 | -179.4 | 23.6 | -33.6 | 0 | 0 | 0 | 114.3 | ||
| 50 | D | 59.4 | Low | 62 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 57% | 0.572 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -11.2 | 173 | 67.5 | -10.3 | 0 | 0 | 0 | 113.6 | H48 S52 | H48-D50 WeakPolarHBondContact CB-OD1 3.05Å; H48-D50 IonicContact CD2-OD1 3.1Å; H48-D50 IonicContact CE1-OD1 3.92Å; H48-D50 PolarHBondContact CE1-OD1 3.36Å; H48-D50 IonicContact CE1-OD2 3.01Å; H48-D50 PolarHBondContact CE1-OD2 3.28Å; H48-D50 IonicContact CG-OD1 3.78Å; H48-D50 IonicContact CG-OD2 2.58Å; H48-D50 IonicContact ND1-OD1 2.93Å; H48-D50 PolarHBondContact ND1-OD1 3.03Å; H48-D50 IonicContact ND1-OD2 3.41Å; H48-D50 PolarHBondContact ND1-OD2 2.58Å; H48-D50 VanDerWaalsContact ND1-OD2 3.1Å; H48-D50 IonicContact NE2-OD2 3.74Å; H48-D50 PolarHBondContact O-N 3.1Å; D50-S52 PolarHBondContact O-N 3.28Å |
| 51 | A | 56.7 | Low | 62.1 | Low | 60 Ų | 60 | 130.9 Ų | 130.9 | 50% | 0.496 | 69% | 0.692 | S | S | . | * | trans | -81.3 | 2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S46 H48 S53 | S46-A51 VanDerWaalsContact CB-CB 3.47Å; H48-A51 WeakPolarHBondContact O-CB 3.48Å; H48-A51 PolarHBondContact O-N 2.97Å; A51-S53 PolarHBondContact O-N 3.02Å | ||
| 52 | S | 58 | Low | 62.2 | Low | 63 Ų | 63 | 125.4 Ų | 125.4 | 44% | 0.441 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -64.6 | 112.1 | 151.2 | -174.3 | 0 | 0 | 0 | 0 | 109 | D50 A54 | D50-S52 PolarHBondContact O-N 3.28Å; S52-A54 PolarHBondContact O-N 3.01Å; S52-A54 WeakPolarHBondContact OG-CB 3.15Å; S52-A54 PolarHBondContact OG-N 2.83Å |
| 53 | S | 56.4 | Low | 62.2 | Low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -63.4 | -1.9 | 167.1 | 68.5 | 0 | 0 | 0 | 0 | 112.7 | A51 R55 | A51-S53 PolarHBondContact O-N 3.02Å; S53-R55 PolarHBondContact O-N 2.98Å | ||
| 54 | A | 62.8 | Low | 62.1 | Low | 67 Ų | 67 | 125 Ų | 125 | 55% | 0.554 | 69% | 0.687 | S | S | * | * | trans | -71 | 80.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S52 P56 | S52-A54 PolarHBondContact O-N 3.01Å; S52-A54 WeakPolarHBondContact OG-CB 3.15Å; S52-A54 PolarHBondContact OG-N 2.83Å; A54-P56 WeakPolarHBondContact O-CD 3.35Å | ||
| 55 | R | 59.9 | Low | 62 | Low | 222 Ų | 222 | 131.9 Ų | 131.9 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -54.5 | 122.8 | 148.3 | -66.1 | -172.8 | 170.1 | -162 | -3.7 | 105.6 | S53 T57 | S53-R55 PolarHBondContact O-N 2.98Å; R55-T57 PolarHBondContact O-N 2.8Å | ||
| 56 | P | 64.8 | Low | 61.9 | Low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -52.6 | 108.7 | 172.4 | -23.8 | 32.8 | 0 | 0 | 0 | 107.7 | A54 R58 | A54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-R58 PolarHBondContact O-N 3.03Å | ||
| 57 | T | 63.2 | Low | 61.6 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -58.2 | 116.5 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 106 | R55 | R55-T57 PolarHBondContact O-N 2.8Š| ||
| 58 | R | 65 | Low | 60.8 | Low | 212 Ų | 212 | 142 Ų | 142 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 19.5 | 114.7 | 164 | -73.6 | 168 | 75.6 | 143.4 | -1.4 | 113.9 | P56 L60 | P56-R58 PolarHBondContact O-N 3.03Å; R58-L60 WeakPolarHBondContact O-CG 3.47Å; R58-L60 PolarHBondContact O-N 2.79Å | ||
| 59 | M | 67.9 | Low | 59.9 | Low | 148 Ų | 148 | 144 Ų | 144 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | trans | -39.1 | 102.8 | 168.3 | -73.2 | 165.5 | 67.5 | 0 | 0 | 110.9 | F61 V62 | M59-F61 PolarHBondContact O-N 3.23Å; M59-V62 HydrophobicContact CE-CB 3.39Å; M59-V62 HydrophobicContact CE-CG1 3.77Å; M59-V62 HydrophobicContact CE-CG2 3.33Å | ||
| 60 | L | 70.6 | Confident | 59 | Low | 132 Ų | 132 | 144 Ų | 144 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 114.9 | 176.3 | -62.6 | 179.1 | 0 | 0 | 0 | 105.8 | R58 | R58-L60 WeakPolarHBondContact O-CG 3.47Å; R58-L60 PolarHBondContact O-N 2.79Å |
| 61 | F | 67.9 | Low | 58.2 | Low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.873 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.8 | 29.6 | 175.9 | -35.7 | -67.1 | 0 | 0 | 0 | 119 | M59 | M59-F61 PolarHBondContact O-N 3.23Š|
| 62 | V | 61.4 | Low | 57.6 | Low | 90 Ų | 90 | 149.5 Ų | 149.5 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | trans | -110.1 | 107.2 | 158.5 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | M59 P64 | M59-V62 HydrophobicContact CE-CB 3.39Å; M59-V62 HydrophobicContact CE-CG1 3.77Å; M59-V62 HydrophobicContact CE-CG2 3.33Å; V62-P64 WeakPolarHBondContact O-CD 3.33Å | ||
| 63 | T | 64.1 | Low | 56.9 | Low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 118.5 | 166.7 | -26.3 | 0 | 0 | 0 | 0 | 107.3 | R65 | T63-R65 PolarHBondContact O-N 2.97Š| ||
| 64 | P | 60.9 | Low | 56.4 | Low | 112 Ų | 112 | 149.8 Ų | 149.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 113 | 172.4 | -16.8 | 29.9 | 0 | 0 | 0 | 107.5 | V62 R66 | V62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-R66 PolarHBondContact O-N 3.11Å; P64-R66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | R | 59.4 | Low | 55.4 | Low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -63.7 | 113.9 | 170.2 | -120 | -80.3 | 176.9 | 144.3 | -2 | 105.7 | T63 Q67 | T63-R65 PolarHBondContact O-N 2.97Å; R65-Q67 VanDerWaalsContact C-N 3.32Å; R65-Q67 PolarHBondContact O-N 3.4Å | ||
| 66 | R | 60.3 | Low | 54.7 | Low | 234 Ų | 234 | 147.2 Ų | 147.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 98.9 | 170.6 | -65.3 | -174.4 | 89.5 | -166.3 | 6.2 | 107.2 | P64 | P64-R66 PolarHBondContact O-N 3.11Å; P64-R66 VanDerWaalsContact O-N 3.11Å | ||
| 67 | Q | 51.5 | Low | 53.5 | Low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -111.1 | 95.1 | 158.5 | -160.1 | 164.6 | 3.7 | 0 | 0 | 106 | R65 | R65-Q67 VanDerWaalsContact C-N 3.32Å; R65-Q67 PolarHBondContact O-N 3.4Å | ||
| 68 | Q | 46.5 | Very low | 52.8 | Low | 177 Ų | 177 | 147.8 Ų | 147.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -59.6 | 135 | 163.4 | -169.7 | 167.2 | 10.7 | 0 | 0 | 107.6 | ||||
| 69 | E | 40.7 | Very low | 51.7 | Low | 151 Ų | 151 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 124.2 | 121.2 | 145.4 | -166.2 | 171.5 | 179.5 | 0 | 0 | 117.1 | ||||
| 70 | N | 41.9 | Very low | 51 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | 65.4 | 128.9 | 157 | -60.7 | -12.2 | 0 | 0 | 0 | 117.4 | ||||
| 71 | T | 43.2 | Very low | 49.6 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -177 | 125.4 | 27 | -7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 72 | I | 43.5 | Very low | 48.5 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | trans | -151.8 | 103.5 | 134.4 | -54.1 | -172.4 | 0 | 0 | 0 | 105.8 | G74 | I72-G74 PolarHBondContact O-N 2.83Š| ||
| 73 | C | 43 | Very low | 47.8 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | trans | -55.2 | 126.6 | 165.2 | -65.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 74 | G | 45.3 | Very low | 46.9 | Very low | 63 Ų | 63 | 146.3 Ų | 146.3 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | -163.1 | 79.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I72 | I72-G74 PolarHBondContact O-N 2.83Š| ||
| 75 | D | 41.8 | Very low | 46.2 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | 60.3 | 117.1 | 150.3 | -54.8 | -25.8 | 0 | 0 | 0 | 120.5 | ||||
| 76 | G | 46.2 | Very low | 45.5 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 116.6 | 100.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 77 | H | 38.5 | Very low | 44.7 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | 78.4 | 120.9 | 158.4 | -65.1 | 97.7 | 0 | 0 | 0 | 117.4 | ||||
| 78 | G | 49.9 | Very low | 44.3 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -61 | 155.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 79 | N | 41.1 | Very low | 44.2 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | -158.8 | 131.8 | 126.2 | -86.5 | -25.1 | 0 | 0 | 0 | 108.3 | C81 | N79-C81 PolarHBondContact O-N 3.23Š| |||
| 80 | S | 53 | Low | 44.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -50.6 | 115.9 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 81 | C | 41.2 | Very low | 44.6 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -95.1 | 96.3 | 165.9 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | N79 | N79-C81 PolarHBondContact O-N 3.23Š| ||
| 82 | S | 45.6 | Very low | 44.7 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -74.8 | 120.9 | 169.8 | -64 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 83 | T | 46.9 | Very low | 44.8 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -69 | 127.9 | 173.2 | -45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | L | 45.1 | Very low | 45 | Very low | 238 Ų | 238 | 130.9 Ų | 130.9 | 100% | 1.246 | 83% | 0.83 | S | S | * | * | trans | -137.1 | 0 | 156.2 | -128.8 | 157.3 | 0 | 0 | 0 | 108.1 |
Retrieved 84 of 84 residues in 69.4 ms
(Link to these results)