| 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 | 43 | Very low | 52.6 | Low | 250 Ų | 250 | 131 Ų | 131 | 100% | 1.232 | 74% | 0.738 | S | S | * | * | 0 | 117.1 | 0 | -63.9 | 173.6 | -168 | 0 | 0 | 107.1 | |||||
| 2 | R | 44.3 | Very low | 53.1 | Low | 257 Ų | 257 | 125.8 Ų | 125.8 | 97% | 0.97 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 127 | -177.4 | -88.3 | 176.1 | 171.4 | 160 | -3.2 | 109.1 | ||
| 3 | A | 42.8 | Very low | 53.5 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 144.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L5 | A3-L5 PolarHBondContact O-N 3.34Š|
| 4 | P | 52.3 | Low | 54 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 124.4 | 174.9 | -10.2 | 25.7 | 0 | 0 | 0 | 109.9 | L6 | P4-L6 PolarHBondContact O-N 3.14Š|
| 5 | L | 57 | Low | 54.4 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 90% | 0.901 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.1 | 171.1 | -73.7 | 160.3 | 0 | 0 | 0 | 109 | A3 | A3-L5 PolarHBondContact O-N 3.34Š|
| 6 | L | 57.9 | Low | 54.7 | Low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.9 | 170.4 | -101.5 | 90 | 0 | 0 | 0 | 109.8 | P4 | P4-L6 PolarHBondContact O-N 3.14Š|
| 7 | P | 54.3 | Low | 55.2 | Low | 67 Ų | 67 | 119.7 Ų | 119.7 | 44% | 0.435 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 148.7 | 177.6 | 29.6 | -33 | 0 | 0 | 0 | 110.8 | V11 V12 | P7-V11 HydrophobicContact CB-CB 4.3Å; P7-V11 HydrophobicContact CB-CG1 4.37Å; P7-V12 HydrophobicContact CG-CG2 4.19Å |
| 8 | P | 54.8 | Low | 55.3 | Low | 87 Ų | 87 | 119.6 Ų | 119.6 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 140 | 177.1 | 24.9 | -31.3 | 0 | 0 | 0 | 110.5 | P10 V11 | P8-P10 VanDerWaalsContact C-N 3.3Å; P8-P10 HydrophobicContact CB-CG 4.3Å; P8-P10 VanDerWaalsContact O-CD 3.31Å; P8-P10 WeakPolarHBondContact O-CD 3.49Å; P8-V11 HydrophobicContact CG-CG2 4Å; P8-V11 WeakPolarHBondContact O-CB 3.4Å; P8-V11 PolarHBondContact O-N 3.04Å |
| 9 | A | 56.9 | Low | 55.1 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -39.3 | -36.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | V11 V12 L13 | A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.45Å; A9-V12 PolarHBondContact O-N 3.41Å; A9-L13 PolarHBondContact O-N 2.76Å |
| 10 | P | 58.1 | Low | 54.9 | Low | 89 Ų | 89 | 114.7 Ų | 114.7 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.3 | -31.2 | 174.7 | 21.7 | -35.4 | 0 | 0 | 0 | 113.9 | P8 L13 S14 | P8-P10 VanDerWaalsContact C-N 3.3Å; P8-P10 HydrophobicContact CB-CG 4.3Å; P8-P10 VanDerWaalsContact O-CD 3.31Å; P8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-L13 PolarHBondContact O-N 3Å; P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.06Å |
| 11 | V | 57.1 | Low | 54.5 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 38% | 0.382 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -73.9 | -34.6 | -177.8 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | P7 P8 A9 L13 S14 L15 | P7-V11 HydrophobicContact CB-CB 4.3Å; P7-V11 HydrophobicContact CB-CG1 4.37Å; P8-V11 HydrophobicContact CG-CG2 4Å; P8-V11 WeakPolarHBondContact O-CB 3.4Å; P8-V11 PolarHBondContact O-N 3.04Å; A9-V11 VanDerWaalsContact C-N 3.25Å; A9-V11 PolarHBondContact O-N 3.45Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-S14 PolarHBondContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.19Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.44Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.47Å |
| 12 | V | 59.2 | Low | 54.6 | Low | 69 Ų | 69 | 108 Ų | 108 | 42% | 0.418 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.1 | -40.3 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | P7 A9 L15 L16 | P7-V12 HydrophobicContact CG-CG2 4.19Å; A9-V12 PolarHBondContact O-N 3.41Å; V12-L15 PolarHBondContact O-N 3.04Å; V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.96Å |
| 13 | L | 58.3 | Low | 54.7 | Low | 114 Ų | 114 | 106.2 Ų | 106.2 | 60% | 0.597 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -41.9 | 175.8 | -151.6 | 81.5 | 0 | 0 | 0 | 111.5 | A9 P10 V11 L16 I17 | A9-L13 PolarHBondContact O-N 2.76Å; P10-L13 PolarHBondContact O-N 3Å; V11-L13 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.19Å; L13-I17 HydrophobicContact CG-CD1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.17Å |
| 14 | S | 59.3 | Low | 54.7 | Low | 61 Ų | 61 | 106.8 Ų | 106.8 | 43% | 0.427 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.4 | -37.5 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | P10 V11 L16 I17 L18 | P10-S14 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-OG 3.06Å; V11-S14 PolarHBondContact O-N 3.16Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-I17 PolarHBondContact O-N 3.02Å; S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.06Å; S14-L18 PolarHBondContact O-N 3.37Å |
| 15 | L | 60.3 | Low | 54.3 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.3 | -35.4 | 175.6 | -74.7 | 169.1 | 0 | 0 | 0 | 112.1 | V11 V12 G19 | V11-L15 HydrophobicContact CG1-CD1 4.19Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.44Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 3.04Å; L15-G19 WeakPolarHBondContact O-CA 3.31Å; L15-G19 PolarHBondContact O-N 3.29Å |
| 16 | L | 59.9 | Low | 53.7 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 65% | 0.654 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.6 | -34.3 | 174.1 | -70.8 | 169.8 | 0 | 0 | 0 | 112.2 | V12 L13 S14 | V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 2.96Å; L13-L16 PolarHBondContact O-N 3.19Å; S14-L16 VanDerWaalsContact C-N 3.34Å |
| 17 | I | 62.1 | Low | 52.7 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 57% | 0.574 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.1 | -39.1 | 178 | -64.2 | 164.6 | 0 | 0 | 0 | 111.7 | L13 S14 S20 | L13-I17 HydrophobicContact CG-CD1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.22Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.17Å; S14-I17 PolarHBondContact O-N 3.02Å; I17-S20 PolarHBondContact O-OG 3.37Å |
| 18 | L | 58.2 | Low | 51.9 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.5 | -25.9 | 179.2 | -70.8 | 164.3 | 0 | 0 | 0 | 112.7 | S14 S20 G21 | S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.06Å; S14-L18 PolarHBondContact O-N 3.37Å; L18-S20 PolarHBondContact O-N 3.05Å; L18-G21 PolarHBondContact O-N 3.08Å; L18-G21 VanDerWaalsContact O-N 3.16Å |
| 19 | G | 51.2 | Low | 51.1 | Low | 46 Ų | 46 | 112.9 Ų | 112.9 | 47% | 0.474 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -19.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L15 | L15-G19 WeakPolarHBondContact O-CA 3.31Å; L15-G19 PolarHBondContact O-N 3.29Å |
| 20 | S | 51.8 | Low | 50.1 | Low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -6.4 | 173 | 35.5 | 0 | 0 | 0 | 0 | 114.7 | I17 L18 | I17-S20 PolarHBondContact O-OG 3.37Å; L18-S20 PolarHBondContact O-N 3.05Å |
| 21 | G | 45.7 | Very low | 49.1 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -93.2 | -7.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117 | L18 | L18-G21 PolarHBondContact O-N 3.08Å; L18-G21 VanDerWaalsContact O-N 3.16Å |
| 22 | H | 44.2 | Very low | 48 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -114.6 | 7.9 | -171.1 | -74.9 | -68.9 | 0 | 0 | 0 | 116.1 | A24 | H22-A24 PolarHBondContact O-N 3.17Š|
| 23 | Y | 47.1 | Very low | 46.7 | Very low | 220 Ų | 220 | 129.3 Ų | 129.3 | 86% | 0.863 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -99.6 | 54.2 | 172.2 | -67.2 | -85 | 0 | 0 | 0 | 111.7 | ||
| 24 | A | 43 | Very low | 45.6 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -155.2 | 65.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H22 | H22-A24 PolarHBondContact O-N 3.17Š| ||
| 25 | A | 43.7 | Very low | 44.3 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | -131.4 | 104.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 26 | G | 44.9 | Very low | 43.1 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | 143.6 | 70.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 27 | M | 36.3 | Very low | 41.7 | Very low | 193 Ų | 193 | 139 Ų | 139 | 95% | 0.951 | 77% | 0.768 | S | S | * | * | trans | -155.6 | 131.1 | 136.9 | -130.7 | 155.9 | 67.1 | 0 | 0 | 111.1 | ||||
| 28 | D | 36.8 | Very low | 40.4 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -62.6 | 155.3 | -166 | -96.7 | -70.7 | 0 | 0 | 0 | 116 | ||||
| 29 | R | 39.8 | Very low | 40 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -56.3 | 130.2 | 170.9 | -171.3 | 167.5 | 77.3 | -167.1 | 9.3 | 111.4 | ||||
| 30 | N | 34.8 | Very low | 39 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -156.8 | 116.6 | 141.1 | -95.2 | -26.2 | 0 | 0 | 0 | 110.1 | ||||
| 31 | D | 36.7 | Very low | 38.1 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 150.1 | 177.7 | -62.9 | -69 | 0 | 0 | 0 | 112.3 | ||||
| 32 | T | 34.5 | Very low | 37.5 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -174.3 | 109 | 131.3 | -71.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | Y | 31.5 | Very low | 37 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 60.8 | 110.6 | 136.5 | -153.3 | -105.5 | 0 | 0 | 0 | 122.3 | ||||
| 34 | S | 35 | Very low | 36.4 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | 46.7 | 121.1 | 125.6 | -159.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 35 | G | 31.9 | Very low | 35.9 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -179.6 | 77.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 36 | K | 36.7 | Very low | 35.6 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -60.5 | 132.2 | 168.9 | -168.1 | -175.5 | -169.1 | -175.8 | 0 | 111.1 | ||||
| 37 | R | 30.7 | Very low | 35.2 | Very low | 245 Ų | 245 | 151.3 Ų | 151.3 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | 168.4 | 110.7 | 141.4 | -93.5 | 170.4 | -158.9 | -159.5 | 6.7 | 113.4 | ||||
| 38 | E | 33.4 | Very low | 35 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 176.5 | 133.2 | -92.4 | -177.8 | 132.6 | 0 | 0 | 108.8 | ||||
| 39 | P | 50.1 | Low | 34.8 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | cis | -131.3 | -171.9 | 0.6 | 29.7 | -6.5 | 0 | 0 | 0 | 112.4 | ||||
| 40 | F | 29.9 | Very low | 34.4 | Very low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 159.6 | 105.2 | 140.1 | -83.2 | -63.6 | 0 | 0 | 0 | 107.8 | ||||
| 41 | S | 33.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | 64.4 | 120.4 | 84.8 | -163.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 42 | G | 34.1 | Very low | 34 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 163.8 | 69.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 43 | D | 32.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 66% | 0.658 | 80% | 0.796 | S | S | * | * | trans | 45 | 120 | 133.7 | -54.5 | -8.2 | 0 | 0 | 0 | 123.9 | ||||
| 44 | H | 35 | Very low | 33.9 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 17.3 | 127.1 | 134.7 | -18.8 | -62.4 | 0 | 0 | 0 | 120.9 | ||||
| 45 | S | 32.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -160.3 | 125.5 | 132.7 | -84 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | A | 38.5 | Very low | 34.4 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -110.3 | 124.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 47 | D | 34.8 | Very low | 34.3 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -167.6 | 140.4 | 154.6 | -138.9 | 12.7 | 0 | 0 | 0 | 104.2 | ||||
| 48 | G | 32.9 | Very low | 34.3 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 153 | 122.9 | 24.9 | 0 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 49 | F | 31.9 | Very low | 34.4 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -70 | 135.8 | -172.8 | -150.9 | -96.2 | 0 | 0 | 0 | 110.1 | V51 | F49-V51 HydrophobicContact CD1-CG2 4.49Å; F49-V51 HydrophobicContact CE1-CG2 4.03Å | ||
| 50 | E | 33 | Very low | 33.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -164.4 | 147.7 | 140 | -116.1 | -177.9 | 163.9 | 0 | 0 | 114.4 | ||||
| 51 | V | 32.2 | Very low | 33.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 62% | 0.624 | 80% | 0.795 | S | S | * | * | trans | -93.6 | 143.2 | -169.5 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | F49 | F49-V51 HydrophobicContact CD1-CG2 4.49Å; F49-V51 HydrophobicContact CE1-CG2 4.03Å | ||
| 52 | T | 30.2 | Very low | 34.1 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 121.5 | 152.9 | 1.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 53 | S | 32 | Very low | 34.3 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 151.1 | 172.2 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 54 | R | 32.7 | Very low | 34.2 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | 152.3 | 114 | 126 | -174.7 | 173.2 | -178.2 | 164.3 | 0.6 | 112.2 | |||||
| 55 | S | 39.3 | Very low | 34.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | 179.8 | 133 | 123.6 | 31 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 56 | E | 37.2 | Very low | 34.8 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 173 | 173.6 | -60.6 | 162.4 | 102.9 | 0 | 0 | 110.2 | ||||
| 57 | M | 35.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | cis | -174.2 | 158.4 | 27.8 | 25.9 | -111.7 | 140.9 | 0 | 0 | 110.9 | ||||
| 58 | S | 29.7 | Very low | 34.4 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 80.9 | 117.9 | 144.4 | -153.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 59 | S | 35.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 177.3 | 134.7 | 100.6 | -160.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 60 | G | 33.5 | Very low | 35 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 61 | S | 36.6 | Very low | 34.9 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -172.7 | 132.8 | 139.9 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 62 | E | 35.8 | Very low | 34.8 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -100.7 | 149.6 | 168.6 | -67.1 | -174.5 | 108.4 | 0 | 0 | 109.5 | ||||
| 63 | I | 38.4 | Very low | 35.1 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -160.5 | 129.6 | 148.1 | 21.1 | 165.4 | 0 | 0 | 0 | 110.6 | ||||
| 64 | S | 31.2 | Very low | 35.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 157.2 | 166.5 | -98.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 65 | P | 47.4 | Very low | 35.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 143.3 | 176.4 | 35.5 | -28.8 | 0 | 0 | 0 | 113 | ||
| 66 | V | 32.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 147 | 172.9 | 154.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 67 | S | 33.1 | Very low | 35.2 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59 | 155.5 | 173.6 | 47.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 68 | E | 31.4 | Very low | 35.4 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | 155.6 | 141.9 | 120.8 | -82.7 | 174.6 | -178.8 | 0 | 0 | 113.4 | |||||
| 69 | M | 35.1 | Very low | 35.8 | Very low | 173 Ų | 173 | 127 Ų | 127 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -94.3 | 150 | 172.1 | -165.4 | 77.7 | 153.1 | 0 | 0 | 108.9 | ||||
| 70 | P | 42.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -143 | 143 | 113.6 | 15.2 | 8.2 | 0 | 0 | 0 | 112.1 | |||||
| 71 | S | 30.8 | Very low | 36 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 78.7 | 132.9 | 73.8 | -178.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 72 | S | 30.4 | Very low | 36.2 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 64 | 150.1 | 156 | 52.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 73 | S | 37.5 | Very low | 36.6 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | cis | -177.3 | 150 | -15 | 52.8 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 74 | E | 33.9 | Very low | 37 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 168.8 | 119 | 101.7 | -72.6 | -66.9 | 107.2 | 0 | 0 | 105.3 | |||||
| 75 | L | 33.7 | Very low | 37.9 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | 73.7 | 115.6 | 95.6 | -147.2 | 86.9 | 0 | 0 | 0 | 116.5 | |||||
| 76 | S | 35.1 | Very low | 38 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 165.5 | 152.8 | 116.3 | -162.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 77 | S | 39.2 | Very low | 38.7 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 75.3 | 123.8 | 173.7 | 76.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 78 | G | 39.9 | Very low | 39.4 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 117.2 | 140.6 | 27.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 79 | V | 38.4 | Very low | 40.2 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | 92.3 | 99.6 | 175.6 | -159.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 80 | D | 36 | Very low | 41.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | 84.7 | 104.7 | 82.8 | -118.6 | -103.4 | 0 | 0 | 0 | 113.7 | |||||
| 81 | Y | 38.4 | Very low | 41.4 | Very low | 209 Ų | 209 | 139.6 Ų | 139.6 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | trans | 20.3 | 124.7 | 164.8 | -37.5 | -74.7 | 0 | 0 | 0 | 123 | ||||
| 82 | D | 40.9 | Very low | 42 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | -156.5 | 144.5 | 124.4 | -155.3 | -1.3 | 0 | 0 | 0 | 110.8 | |||||
| 83 | Y | 42.3 | Very low | 42.6 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -79.7 | 118.2 | -171.8 | -155.4 | -99.4 | 0 | 0 | 0 | 109.3 | E85 | Y83-E85 WeakPolarHBondContact CD1-OE1 3.43Å; Y83-E85 VanDerWaalsContact CE1-CD 3.47Å; Y83-E85 WeakPolarHBondContact CE1-OE1 3.35Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.24Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.46Å | ||
| 84 | S | 48.2 | Very low | 43.1 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -147.4 | 105.5 | 164.8 | -71.9 | 0 | 0 | 0 | 0 | 108.2 | E86 | S84-E86 PolarHBondContact O-N 3.4Š| ||
| 85 | E | 49.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 107.7 | 170.7 | 25.4 | -99.2 | 133.2 | 0 | 0 | 110.8 | Y83 | Y83-E85 WeakPolarHBondContact CD1-OE1 3.43Å; Y83-E85 VanDerWaalsContact CE1-CD 3.47Å; Y83-E85 WeakPolarHBondContact CE1-OE1 3.35Å; Y83-E85 VanDerWaalsContact CE1-OE2 3.24Å; Y83-E85 WeakPolarHBondContact CE1-OE2 3.46Å | ||
| 86 | E | 50.5 | Low | 43.8 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -135.2 | 89.7 | 164.6 | -149.6 | 177.3 | -158.1 | 0 | 0 | 109.4 | S84 | S84-E86 PolarHBondContact O-N 3.4Š| ||
| 87 | Y | 44.8 | Very low | 44.8 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -138.6 | 129.5 | 163.5 | -98.4 | -101.9 | 0 | 0 | 0 | 103 | ||||
| 88 | D | 48 | Very low | 45.2 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | cis | -149.2 | 134.3 | 18.1 | -86 | -62.1 | 0 | 0 | 0 | 107.5 | E90 | D88-E90 PolarHBondContact O-N 2.96Š| ||
| 89 | N | 49.2 | Very low | 45.4 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -92.9 | 82.4 | 161.4 | -90.4 | -82 | 0 | 0 | 0 | 108.7 | ||||
| 90 | E | 52.9 | Low | 46.1 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -79.9 | 128.6 | 165.9 | -171.4 | 114.7 | 126.8 | 0 | 0 | 109.2 | D88 Q92 | D88-E90 PolarHBondContact O-N 2.96Å; E90-Q92 PolarHBondContact O-N 3.32Å | ||
| 91 | P | 49.4 | Very low | 46.8 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -66.7 | 115.9 | 176 | -16 | 28.8 | 0 | 0 | 0 | 110.9 | I93 | P91-I93 PolarHBondContact O-N 3.21Š| ||
| 92 | Q | 42.7 | Very low | 47.5 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -64.4 | 106.8 | 170.4 | -68.2 | -173.7 | 17.9 | 0 | 0 | 110 | E90 | E90-Q92 PolarHBondContact O-N 3.32Š| ||
| 93 | I | 44.8 | Very low | 48.3 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130 | 166 | -60.3 | 175.4 | 0 | 0 | 0 | 107.6 | P91 G95 | P91-I93 PolarHBondContact O-N 3.21Å; I93-G95 PolarHBondContact O-N 2.9Å |
| 94 | P | 47.9 | Very low | 48.5 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.1 | -178.2 | -7.5 | 18.5 | 0 | 0 | 0 | 110.1 | Y96 | P94-Y96 PolarHBondContact O-N 2.99Š|
| 95 | G | 43.7 | Very low | 48.9 | Very low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 130 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I93 I97 | I93-G95 PolarHBondContact O-N 2.9Å; G95-I97 PolarHBondContact O-N 3.44Å |
| 96 | Y | 38 | Very low | 48.9 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.2 | 153.7 | 57.2 | -90.8 | 0 | 0 | 0 | 107.9 | P94 V98 | P94-Y96 PolarHBondContact O-N 2.99Å; Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 HydrophobicContact CD2-CB 3.78Å; Y96-V98 HydrophobicContact CD2-CG2 3.28Å; Y96-V98 HydrophobicContact CE2-CB 3.95Å; Y96-V98 HydrophobicContact CE2-CG2 3.61Å; Y96-V98 HydrophobicContact CG-CG2 4.37Å; Y96-V98 PolarHBondContact O-N 3.12Å; Y96-V98 VanDerWaalsContact O-N 3.14Å |
| 97 | I | 54.9 | Low | 49 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | trans | -80.4 | 92.4 | 162.7 | -58.6 | 173.8 | 0 | 0 | 0 | 104.8 | G95 D99 | G95-I97 PolarHBondContact O-N 3.44Å; I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 3.33Å | ||
| 98 | V | 48.6 | Very low | 49.9 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 98.6 | 159.2 | 160.2 | 0 | 0 | 0 | 0 | 104.8 | Y96 D100 | Y96-V98 VanDerWaalsContact C-N 3.3Å; Y96-V98 HydrophobicContact CD2-CB 3.78Å; Y96-V98 HydrophobicContact CD2-CG2 3.28Å; Y96-V98 HydrophobicContact CE2-CB 3.95Å; Y96-V98 HydrophobicContact CE2-CG2 3.61Å; Y96-V98 HydrophobicContact CG-CG2 4.37Å; Y96-V98 PolarHBondContact O-N 3.12Å; Y96-V98 VanDerWaalsContact O-N 3.14Å; V98-D100 PolarHBondContact O-N 3.17Å; V98-D100 VanDerWaalsContact O-N 3.15Å | ||
| 99 | D | 44 | Very low | 49.8 | Very low | 104 Ų | 104 | 144 Ų | 144 | 56% | 0.556 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 101.7 | 164.9 | -171.6 | 74.1 | 0 | 0 | 0 | 107 | I97 S101 | I97-D99 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 3.33Å; D99-S101 PolarHBondContact O-N 3.07Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.29Å; D99-S101 PolarHBondContact OD2-OG 3.21Å | ||
| 100 | D | 53.5 | Low | 49.6 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 21.6 | -176.9 | -134.5 | -11.6 | 0 | 0 | 0 | 112.6 | V98 | V98-D100 PolarHBondContact O-N 3.17Å; V98-D100 VanDerWaalsContact O-N 3.15Å |
| 101 | S | 51.2 | Low | 49.5 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.5 | -175.6 | -36.4 | 0 | 0 | 0 | 0 | 113.9 | D99 R103 | D99-S101 PolarHBondContact O-N 3.07Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 WeakPolarHBondContact OD2-CB 3.29Å; D99-S101 PolarHBondContact OD2-OG 3.21Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.35Å |
| 102 | V | 52.5 | Low | 49.6 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | trans | -77.8 | 81.4 | 175.3 | -172 | 0 | 0 | 0 | 0 | 109.4 | V104 | V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 HydrophobicContact CG1-CG2 4.04Å; V102-V104 PolarHBondContact O-N 3.09Å | ||
| 103 | R | 57.5 | Low | 49.5 | Very low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -66.3 | 97.4 | 161.9 | -68.1 | 179.3 | 117.4 | -160.4 | 2.5 | 107.9 | S101 E105 | S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.35Å; R103-E105 PolarHBondContact O-N 3.48Å | ||
| 104 | V | 46.6 | Very low | 49.6 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -70.8 | 97.9 | 165.6 | -167 | 0 | 0 | 0 | 0 | 106.8 | V102 Q106 | V102-V104 VanDerWaalsContact C-N 3.35Å; V102-V104 HydrophobicContact CG1-CG2 4.04Å; V102-V104 PolarHBondContact O-N 3.09Å; V104-Q106 PolarHBondContact O-N 3.45Å | ||
| 105 | E | 56 | Low | 49.1 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -62.4 | 120.6 | 165.1 | -167.2 | 169.2 | 164.3 | 0 | 0 | 107.1 | R103 V107 | R103-E105 PolarHBondContact O-N 3.48Å; E105-V107 PolarHBondContact O-N 3.46Å | ||
| 106 | Q | 50.7 | Low | 48.7 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -58.4 | 124.6 | -178.5 | -60.9 | -179 | 14.5 | 0 | 0 | 108.5 | V104 V108 | V104-Q106 PolarHBondContact O-N 3.45Å; Q106-V108 VanDerWaalsContact C-N 3.32Å; Q106-V108 PolarHBondContact O-N 3.07Å | ||
| 107 | V | 52.2 | Low | 49.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -62.5 | 97.1 | 172.6 | 172 | 0 | 0 | 0 | 0 | 108 | E105 K109 | E105-V107 PolarHBondContact O-N 3.46Å; V107-K109 PolarHBondContact O-N 2.94Å; V107-K109 VanDerWaalsContact O-N 3.1Å | ||
| 108 | V | 64.2 | Low | 48.2 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -66.3 | 108.1 | 164.5 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | Q106 P110 | Q106-V108 VanDerWaalsContact C-N 3.32Å; Q106-V108 PolarHBondContact O-N 3.07Å; V108-P110 WeakPolarHBondContact O-CD 3.28Å | ||
| 109 | K | 46.1 | Very low | 47.8 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 122.9 | 170 | -77.8 | 175.5 | 178.4 | 174.3 | 0 | 108 | V107 | V107-K109 PolarHBondContact O-N 2.94Å; V107-K109 VanDerWaalsContact O-N 3.1Å |
| 110 | P | 45.2 | Very low | 47.4 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.5 | 174.2 | -21 | 30.8 | 0 | 0 | 0 | 108.9 | V108 K112 | V108-P110 WeakPolarHBondContact O-CD 3.28Å; P110-K112 PolarHBondContact O-N 3.25Å |
| 111 | P | 50.2 | Low | 46.8 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.5 | 175.5 | 26.4 | -31.9 | 0 | 0 | 0 | 109.3 | N113 | P111-N113 VanDerWaalsContact C-N 3.33Å; P111-N113 PolarHBondContact O-N 2.83Å |
| 112 | K | 51.1 | Low | 46.1 | Very low | 209 Ų | 209 | 150.4 Ų | 150.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -69.8 | 90.7 | 170.1 | -70.2 | -176.1 | 178.4 | -179.9 | 0 | 108.5 | P110 | P110-K112 PolarHBondContact O-N 3.25Š| ||
| 113 | N | 40.8 | Very low | 45.7 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -95.8 | 104.5 | 172.6 | -69.7 | -2.5 | 0 | 0 | 0 | 109.7 | P111 | P111-N113 VanDerWaalsContact C-N 3.33Å; P111-N113 PolarHBondContact O-N 2.83Å | ||
| 114 | K | 47.3 | Very low | 45.1 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -81.1 | 140 | 157.6 | -68.7 | -179.2 | 177.1 | 179.1 | 0 | 107.8 | ||||
| 115 | T | 37.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | 76.7 | 129.4 | 161.3 | -37 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 116 | E | 34.6 | Very low | 44.5 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -165.5 | 148.4 | 50.4 | -147 | 147.7 | -128.2 | 0 | 0 | 109.1 | |||||
| 117 | S | 46.8 | Very low | 44.2 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -72.2 | 127.6 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 118 | E | 35.9 | Very low | 43.9 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -125.2 | 120.6 | 163.8 | -154.5 | 172 | -175.9 | 0 | 0 | 110.5 | ||||
| 119 | N | 40.6 | Very low | 42.9 | Very low | 146 Ų | 146 | 165.3 Ų | 165.3 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -84.1 | 127 | -179.1 | -61.9 | -67.5 | 0 | 0 | 0 | 109 | ||||
| 120 | T | 36.1 | Very low | 42.5 | Very low | 141 Ų | 141 | 160.7 Ų | 160.7 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -133.8 | 125.8 | 151.1 | 47 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 121 | S | 39.9 | Very low | 42.2 | Very low | 106 Ų | 106 | 158.9 Ų | 158.9 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -78.6 | 133.8 | -176.4 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | D | 37.4 | Very low | 41.9 | Very low | 169 Ų | 169 | 163.2 Ų | 163.2 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -151.4 | 121.2 | 140.2 | -98.2 | -40.9 | 0 | 0 | 0 | 111.5 | ||||
| 123 | K | 43.4 | Very low | 41.4 | Very low | 183 Ų | 183 | 160.6 Ų | 160.6 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | trans | -97 | 156.5 | 171.6 | -89.6 | 179.4 | 177.7 | 168.4 | 0 | 108.4 | ||||
| 124 | P | 44.7 | Very low | 41.7 | Very low | 132 Ų | 132 | 157.2 Ų | 157.2 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | -124.7 | 147.2 | 113.7 | 30.1 | -20.7 | 0 | 0 | 0 | 113.7 | |||||
| 125 | K | 43.3 | Very low | 41.9 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -67.2 | 133.3 | -178.1 | -64.2 | 167.1 | 178.8 | 169 | 0 | 110.6 | ||||
| 126 | R | 47.3 | Very low | 42.4 | Very low | 249 Ų | 249 | 160.4 Ų | 160.4 | 94% | 0.94 | 84% | 0.843 | S | S | * | * | trans | -140.1 | 109.9 | 149.1 | -154.2 | 169.2 | 172.2 | 150.6 | -2.2 | 110.2 | ||||
| 127 | K | 44.6 | Very low | 43.4 | Very low | 207 Ų | 207 | 163.1 Ų | 163.1 | 90% | 0.9 | 85% | 0.846 | S | S | * | * | trans | -74.4 | 132.3 | 173.7 | -73.9 | -168.5 | 174.6 | -177.8 | 0 | 109.5 | ||||
| 128 | K | 45.1 | Very low | 43.8 | Very low | 215 Ų | 215 | 169.2 Ų | 169.2 | 94% | 0.935 | 85% | 0.853 | S | S | * | * | trans | -139.6 | 133.7 | 145 | -134.2 | 177.2 | -177.8 | -178 | 0 | 108.5 | ||||
| 129 | K | 44.1 | Very low | 44.6 | Very low | 211 Ų | 211 | 167.1 Ų | 167.1 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -105.2 | 140.5 | -162 | -169.5 | -174.5 | -177 | -173.2 | 0 | 109.5 | ||||
| 130 | G | 36.4 | Very low | 45.3 | Very low | 82 Ų | 82 | 172.3 Ų | 172.3 | 85% | 0.845 | 86% | 0.856 | S | S | * | * | trans | 99.1 | 129.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 131 | G | 38.4 | Very low | 46.4 | Very low | 75 Ų | 75 | 173.8 Ų | 173.8 | 77% | 0.773 | 85% | 0.85 | S | S | * | * | cis | -176.9 | 165.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 132 | K | 44.9 | Very low | 47.4 | Very low | 189 Ų | 189 | 177.9 Ų | 177.9 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | trans | 53 | 111 | 156.2 | -75.6 | 180 | 176.6 | 176.2 | 0 | 120.6 | ||||
| 133 | N | 40.5 | Very low | 48.9 | Very low | 153 Ų | 153 | 177.9 Ų | 177.9 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | 72.1 | 122.9 | 122.9 | -62.8 | 3.2 | 0 | 0 | 0 | 120.1 | |||||
| 134 | G | 47.8 | Very low | 50.4 | Low | 68 Ų | 68 | 172.3 Ų | 172.3 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | 110.5 | 105.1 | 121.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 135 | K | 51.3 | Low | 52.2 | Low | 198 Ų | 198 | 167.6 Ų | 167.6 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | 58.6 | 79.7 | 148.1 | -57.7 | -179.1 | -179.1 | 176.9 | 0 | 116.3 | ||||
| 136 | N | 47.9 | Very low | 54.2 | Low | 175 Ų | 175 | 158.5 Ų | 158.5 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | trans | -130.4 | 49 | 146.6 | -87.7 | -21.4 | 0 | 0 | 0 | 110.6 | ||||
| 137 | R | 55.8 | Low | 55.7 | Low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | trans | -89.7 | 93.9 | 157 | -82.7 | -175.2 | 170.2 | 168.1 | -2.8 | 106.7 | ||||
| 138 | R | 55.2 | Low | 57.4 | Low | 235 Ų | 235 | 145.1 Ų | 145.1 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | trans | 159.6 | 79.2 | 156.4 | -86.5 | 156 | -155.1 | -156.9 | 7.2 | 108.2 | ||||
| 139 | N | 51.9 | Low | 59.1 | Low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -175.2 | 54.2 | 145.7 | -90.3 | -12.4 | 0 | 0 | 0 | 108.3 | K141 | N139-K141 PolarHBondContact O-N 2.9Š| ||
| 140 | R | 55.7 | Low | 60.9 | Low | 254 Ų | 254 | 135.3 Ų | 135.3 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | trans | -69.1 | 76.8 | 147.2 | -93.7 | -174.8 | 175.4 | 172.3 | -2.6 | 105 | K142 | R140-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | K | 59.3 | Low | 63 | Low | 173 Ų | 173 | 137.9 Ų | 137.9 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -47.6 | 123.3 | 155.5 | -82.7 | -178.1 | 174.7 | -178.9 | 0 | 104 | N139 K143 | N139-K141 PolarHBondContact O-N 2.9Å; K141-K143 PolarHBondContact O-N 3.18Å | ||
| 142 | K | 61.1 | Low | 65.2 | Low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | trans | -41.6 | 110.8 | 172.4 | -84.9 | -178.6 | 174.3 | -176.7 | 0 | 105.7 | R140 N144 | R140-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact O-N 3.13Å; K142-N144 PolarHBondContact O-N 3.25Å | ||
| 143 | K | 67.7 | Low | 67.3 | Low | 170 Ų | 170 | 134.1 Ų | 134.1 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | trans | -59.6 | 118.9 | 178.2 | -89.1 | -173.2 | 174 | -171.3 | 0 | 104 | K141 P145 A148 | K141-K143 PolarHBondContact O-N 3.18Å; K143-P145 VanDerWaalsContact O-N 3.17Å; K143-A148 HydrophobicContact CB-CB 4.48Å | ||
| 144 | N | 74.4 | Confident | 69.7 | Low | 66 Ų | 66 | 127.6 Ų | 127.6 | 35% | 0.353 | 61% | 0.606 | S | S | . | * | trans | -50 | 126.5 | 173.6 | 177.3 | -9.6 | 0 | 0 | 0 | 106.6 | K142 C146 N147 | K142-N144 PolarHBondContact O-N 3.25Å; N144-C146 PolarHBondContact O-N 2.84Å; N144-C146 WeakPolarHBondContact OD1-CB 3.43Å; N144-C146 PolarHBondContact OD1-N 2.83Å; N144-N147 PolarHBondContact O-N 2.89Å | ||
| 145 | P | 83.6 | Confident | 71.9 | Confident | 33 Ų | 33 | 128.6 Ų | 128.6 | 21% | 0.214 | 59% | 0.594 | C | S | . | * | G | 310 helix | trans | -56.1 | -23.4 | -178.6 | 21.6 | -34.2 | 0 | 0 | 0 | 112.9 | K143 N147 A148 E149 F150 Y161 | K143-P145 VanDerWaalsContact O-N 3.17Å; P145-N147 PolarHBondContact O-N 3.3Å; P145-A148 PolarHBondContact O-N 3.45Å; P145-E149 PolarHBondContact O-N 3.4Å; P145-F150 HydrophobicContact CB-CD2 4.19Å; P145-F150 HydrophobicContact CB-CE2 4.43Å; P145-F150 PolarHBondContact O-N 3.21Å; P145-Y161 HydrophobicContact CB-CD2 4.22Å; P145-Y161 HydrophobicContact CB-CE2 4.41Å; P145-Y161 HydrophobicContact CB-CG 4.43Å; P145-Y161 HydrophobicContact CG-CD1 3.44Å; P145-Y161 VanDerWaalsContact CG-CD1 3.44Å; P145-Y161 HydrophobicContact CG-CD2 3.36Å; P145-Y161 HydrophobicContact CG-CE1 3.81Å; P145-Y161 HydrophobicContact CG-CE2 3.74Å; P145-Y161 HydrophobicContact CG-CG 3.18Å |
| 146 | C | 84.3 | Confident | 73.8 | Confident | 6 Ų | 6 | 122.3 Ų | 122.3 | 4% | 0.041 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -54.1 | -34.9 | 167.3 | -78.6 | 0 | 0 | 0 | 0 | 114.4 | N144 F150 Q151 C159 | N144-C146 PolarHBondContact O-N 2.84Å; N144-C146 WeakPolarHBondContact OD1-CB 3.43Å; N144-C146 PolarHBondContact OD1-N 2.83Å; C146-F150 CarbonylContact O-C 3.35Å; C146-Q151 WeakPolarHBondContact O-CA 3.45Å; C146-Q151 PolarHBondContact O-N 3.45Å; C146-C159 VanDerWaalsContact CA-SG 3.56Å; C146-C159 HydrophobicContact CB-CB 3.72Å; C146-C159 WeakPolarHBondContact CB-SG 3.47Å; C146-C159 WeakPolarHBondContact SG-CB 3.4Å; C146-C159 PolarHBondContact SG-O 3.38Å; C146-C159 CovalentContact SG-SG 2.04Å; C146-C159 PolarHBondContact SG-SG 3.47Å |
| 147 | N | 79.9 | Confident | 75.8 | Confident | 117 Ų | 117 | 115 Ų | 115 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -97.3 | 1.5 | -177.8 | -64.2 | -32.6 | 0 | 0 | 0 | 113.1 | N144 P145 | N144-N147 PolarHBondContact O-N 2.89Å; P145-N147 PolarHBondContact O-N 3.3Å |
| 148 | A | 80.7 | Confident | 77.5 | Confident | 58 Ų | 58 | 109.6 Ų | 109.6 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -65.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K143 P145 | K143-A148 HydrophobicContact CB-CB 4.48Å; P145-A148 PolarHBondContact O-N 3.45Å |
| 149 | E | 80.3 | Confident | 79.3 | Confident | 157 Ų | 157 | 100.2 Ų | 100.2 | 73% | 0.734 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -33.9 | -173.2 | -174.1 | 169.3 | -169.8 | 0 | 0 | 112 | P145 | P145-E149 PolarHBondContact O-N 3.4Š|
| 150 | F | 81.6 | Confident | 81.1 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 28% | 0.281 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -103.1 | 30.9 | -176.3 | -59.5 | -85.5 | 0 | 0 | 0 | 112.9 | P145 C146 N152 F153 V168 | P145-F150 HydrophobicContact CB-CD2 4.19Å; P145-F150 HydrophobicContact CB-CE2 4.43Å; P145-F150 PolarHBondContact O-N 3.21Å; C146-F150 CarbonylContact O-C 3.35Å; F150-N152 PolarHBondContact O-N 2.84Å; F150-F153 HydrophobicContact CB-CB 4.03Å; F150-F153 VanDerWaalsContact O-CB 3.32Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.45Å; F150-F153 VanDerWaalsContact O-N 3.08Å; F150-V168 HydrophobicContact CB-CG1 4.41Å; F150-V168 HydrophobicContact CB-CG2 3.96Å; F150-V168 HydrophobicContact CD1-CB 4.28Å; F150-V168 HydrophobicContact CD1-CG2 3.92Å; F150-V168 HydrophobicContact CD2-CG2 3.42Å; F150-V168 VanDerWaalsContact CD2-CG2 3.42Å; F150-V168 HydrophobicContact CE1-CG2 4.24Å; F150-V168 HydrophobicContact CE2-CG2 3.79Å; F150-V168 HydrophobicContact CG-CB 4.25Å; F150-V168 HydrophobicContact CG-CG2 3.49Å; F150-V168 VanDerWaalsContact CG-CG2 3.49Å; F150-V168 HydrophobicContact CZ-CG2 4.18Å |
| 151 | Q | 80.4 | Confident | 82.6 | Confident | 135 Ų | 135 | 89.6 Ų | 89.6 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 128.8 | 177.1 | -166.1 | 176.4 | 17.7 | 0 | 0 | 109.3 | C146 F153 | C146-Q151 WeakPolarHBondContact O-CA 3.45Å; C146-Q151 PolarHBondContact O-N 3.45Å; Q151-F153 PolarHBondContact O-N 3.23Å |
| 152 | N | 84.3 | Confident | 83.9 | Confident | 128 Ų | 128 | 83.7 Ų | 83.7 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 17.8 | -176 | -43 | -48.6 | 0 | 0 | 0 | 114.8 | F150 R180 | F150-N152 PolarHBondContact O-N 2.84Å; N152-R180 PolarHBondContact O-NH2 3.43Å |
| 153 | F | 89.3 | Confident | 84.9 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 25% | 0.254 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -62.5 | -46.5 | 171.6 | -179 | -101.8 | 0 | 0 | 0 | 110.8 | F150 Q151 V168 C170 R180 | F150-F153 HydrophobicContact CB-CB 4.03Å; F150-F153 VanDerWaalsContact O-CB 3.32Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.45Å; F150-F153 VanDerWaalsContact O-N 3.08Å; Q151-F153 PolarHBondContact O-N 3.23Å; F153-V168 HydrophobicContact CD1-CG1 3.73Å; F153-V168 HydrophobicContact CE1-CG1 4.2Å; F153-V168 HydrophobicContact CG-CG1 4.49Å; F153-C170 WeakPolarHBondContact CD1-SG 3.36Å; F153-R180 HydrophobicContact CD1-CG 4.45Å; F153-R180 HydrophobicContact CD2-CG 4.18Å; F153-R180 HydrophobicContact CE1-CG 4Å; F153-R180 HydrophobicContact CE2-CG 3.71Å; F153-R180 HydrophobicContact CZ-CG 3.61Å; F153-R180 WeakPolarHBondContact O-CB 3.4Å; F153-R180 PolarHBondContact O-NE 3.49Å; F153-R180 PolarHBondContact O-NH2 3.46Å |
| 154 | C | 92.4 | Very high | 85.5 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 10% | 0.101 | 41% | 0.41 | C | S | . | . | trans | -85.3 | 121.7 | 171.2 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | C159 C170 | C154-C159 VanDerWaalsContact SG-CA 3.5Å; C154-C170 WeakPolarHBondContact CA-SG 3.41Å; C154-C170 HydrophobicContact CB-CB 3.76Å; C154-C170 WeakPolarHBondContact CB-SG 3.24Å; C154-C170 WeakPolarHBondContact SG-CA 3.49Å; C154-C170 WeakPolarHBondContact SG-CB 3.32Å; C154-C170 CovalentContact SG-SG 2.02Å; C154-C170 PolarHBondContact SG-SG 3.36Å | ||
| 155 | I | 92 | Very high | 85.8 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -82 | -57.9 | -178.8 | -53.1 | 173.6 | 0 | 0 | 0 | 109.5 | R180 | I155-R180 PolarHBondContact N-O 2.85Š|
| 156 | H | 92.1 | Very high | 85.7 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 31% | 0.306 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -117.5 | 63.6 | 179.4 | -60.3 | -66.8 | 0 | 0 | 0 | 111.7 | Q173 Y176 C181 | H156-Q173 PolarHBondContact O-N 2.87Å; H156-Y176 HydrophobicContact CB-CD1 3.67Å; H156-Y176 HydrophobicContact CB-CD2 3.8Å; H156-Y176 HydrophobicContact CB-CE1 3.99Å; H156-Y176 HydrophobicContact CB-CE2 4.1Å; H156-Y176 HydrophobicContact CB-CG 3.56Å; H156-Y176 AromaticContact CD2-CD1 3.4Å; H156-Y176 VanDerWaalsContact CD2-CD1 3.4Å; H156-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H156-Y176 AromaticContact CD2-CE1 3.15Å; H156-Y176 WeakPolarHBondContact CD2-CE1 3.39Å; H156-Y176 AromaticContact CD2-CZ 3.8Å; H156-Y176 AromaticContact CG-CD1 3.67Å; H156-Y176 AromaticContact CG-CE1 3.51Å; H156-Y176 AromaticContact CG-CZ 3.75Å; H156-Y176 AromaticContact NE2-CE1 3.66Å; H156-C181 HydrophobicContact CB-CB 4.32Å; H156-C181 WeakPolarHBondContact CB-O 3.25Å; H156-C181 PolarHBondContact CD2-O 3.27Å; H156-C181 PolarHBondContact N-O 3.48Å; H156-C181 WeakPolarHBondContact O-CB 3.25Å |
| 157 | G | 90.8 | Very high | 85.6 | Confident | 22 Ų | 22 | 91.2 Ų | 91.2 | 23% | 0.227 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 178.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K171 | G157-K171 CarbonylContact C-O 3.47Å; G157-K171 WeakPolarHBondContact CA-O 3.26Å |
| 158 | E | 91.4 | Very high | 86.1 | Confident | 117 Ų | 117 | 86.9 Ų | 86.9 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.8 | 175.6 | -62.7 | 175.3 | 175.3 | 0 | 0 | 110.4 | K171 | E158-K171 HydrophobicContact CB-CB 4.34Å; E158-K171 PolarHBondContact N-O 2.92Å; E158-K171 PolarHBondContact O-N 2.83Å |
| 159 | C | 91.4 | Very high | 86.5 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.4 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | C146 C154 V168 | C146-C159 VanDerWaalsContact CA-SG 3.56Å; C146-C159 HydrophobicContact CB-CB 3.72Å; C146-C159 WeakPolarHBondContact CB-SG 3.47Å; C146-C159 WeakPolarHBondContact SG-CB 3.4Å; C146-C159 PolarHBondContact SG-O 3.38Å; C146-C159 CovalentContact SG-SG 2.04Å; C146-C159 PolarHBondContact SG-SG 3.47Å; C154-C159 VanDerWaalsContact SG-CA 3.5Å; C159-V168 WeakPolarHBondContact SG-CG1 3.4Å |
| 160 | K | 90.1 | Very high | 87.1 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 45% | 0.452 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.4 | 172.5 | -66.9 | -172 | 177 | -174.6 | 0 | 110.2 | V168 T169 | K160-V168 WeakPolarHBondContact O-CA 3.33Å; K160-T169 HydrophobicContact CB-CG2 3.83Å; K160-T169 PolarHBondContact N-O 3.44Å; K160-T169 PolarHBondContact O-N 3.48Å |
| 161 | Y | 88.4 | Confident | 87.6 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 29% | 0.286 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.8 | 170.8 | -178.1 | -108.1 | 0 | 0 | 0 | 110.1 | P145 E163 E166 A167 V168 | P145-Y161 HydrophobicContact CB-CD2 4.22Å; P145-Y161 HydrophobicContact CB-CE2 4.41Å; P145-Y161 HydrophobicContact CB-CG 4.43Å; P145-Y161 HydrophobicContact CG-CD1 3.44Å; P145-Y161 VanDerWaalsContact CG-CD1 3.44Å; P145-Y161 HydrophobicContact CG-CD2 3.36Å; P145-Y161 HydrophobicContact CG-CE1 3.81Å; P145-Y161 HydrophobicContact CG-CE2 3.74Å; P145-Y161 HydrophobicContact CG-CG 3.18Å; Y161-E163 HydrophobicContact CD1-CG 3.95Å; Y161-E163 HydrophobicContact CE1-CB 4.36Å; Y161-E163 HydrophobicContact CE1-CG 3.95Å; Y161-E166 WeakPolarHBondContact OH-CA 3.23Å; Y161-A167 WeakPolarHBondContact CD2-O 3.26Å; Y161-V168 HydrophobicContact CD2-CG2 3.76Å |
| 162 | I | 86.2 | Confident | 88.2 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 103.9 | 179.7 | -58.7 | 178.6 | 0 | 0 | 0 | 108 | H164 L165 E166 A167 T169 | I162-H164 VanDerWaalsContact C-N 3.27Å; I162-H164 WeakPolarHBondContact CG2-CE1 3.29Å; I162-H164 WeakPolarHBondContact CG2-ND1 3.29Å; I162-H164 VanDerWaalsContact CG2-NE2 3.32Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.47Å; I162-H164 PolarHBondContact O-N 2.92Å; I162-L165 HydrophobicContact CD1-CD1 4.46Å; I162-L165 HydrophobicContact CG2-CB 4.17Å; I162-L165 HydrophobicContact CG2-CD1 4.05Å; I162-L165 HydrophobicContact CG2-CG 4.25Å; I162-L165 PolarHBondContact O-N 3.48Å; I162-E166 PolarHBondContact O-N 3.42Å; I162-E166 VanDerWaalsContact O-N 3.1Å; I162-A167 PolarHBondContact N-O 2.93Å; I162-A167 PolarHBondContact O-N 3.31Å; I162-T169 HydrophobicContact CD1-CG2 3.79Å; I162-T169 HydrophobicContact CG1-CG2 4.11Å |
| 163 | E | 82.8 | Confident | 88.5 | Confident | 147 Ų | 147 | 78.5 Ų | 78.5 | 69% | 0.687 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.9 | -172.9 | -63.6 | -170.6 | 163.3 | 0 | 0 | 113.5 | Y161 | Y161-E163 HydrophobicContact CD1-CG 3.95Å; Y161-E163 HydrophobicContact CE1-CB 4.36Å; Y161-E163 HydrophobicContact CE1-CG 3.95Å |
| 164 | H | 78.3 | Confident | 88.2 | Confident | 160 Ų | 160 | 83.4 Ų | 83.4 | 74% | 0.741 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.2 | -176.9 | 58.9 | -91.6 | 0 | 0 | 0 | 114.4 | I162 | I162-H164 VanDerWaalsContact C-N 3.27Å; I162-H164 WeakPolarHBondContact CG2-CE1 3.29Å; I162-H164 WeakPolarHBondContact CG2-ND1 3.29Å; I162-H164 VanDerWaalsContact CG2-NE2 3.32Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.47Å; I162-H164 PolarHBondContact O-N 2.92Å |
| 165 | L | 80.8 | Confident | 87.6 | Confident | 115 Ų | 115 | 86 Ų | 86 | 60% | 0.602 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -2.8 | 176.9 | -69.6 | 167 | 0 | 0 | 0 | 112.1 | I162 A167 | I162-L165 HydrophobicContact CD1-CD1 4.46Å; I162-L165 HydrophobicContact CG2-CB 4.17Å; I162-L165 HydrophobicContact CG2-CD1 4.05Å; I162-L165 HydrophobicContact CG2-CG 4.25Å; I162-L165 PolarHBondContact O-N 3.48Å; L165-A167 HydrophobicContact CB-CB 4.1Å; L165-A167 PolarHBondContact O-N 2.87Å |
| 166 | E | 82.3 | Confident | 87.4 | Confident | 159 Ų | 159 | 84.4 Ų | 84.4 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 32.2 | -171.3 | -60.2 | -173.6 | 162.4 | 0 | 0 | 113.4 | Y161 I162 | Y161-E166 WeakPolarHBondContact OH-CA 3.23Å; I162-E166 PolarHBondContact O-N 3.42Å; I162-E166 VanDerWaalsContact O-N 3.1Å |
| 167 | A | 83 | Confident | 87.1 | Confident | 42 Ų | 42 | 85.8 Ų | 85.8 | 35% | 0.347 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y161 I162 L165 | Y161-A167 WeakPolarHBondContact CD2-O 3.26Å; I162-A167 PolarHBondContact N-O 2.93Å; I162-A167 PolarHBondContact O-N 3.31Å; L165-A167 HydrophobicContact CB-CB 4.1Å; L165-A167 PolarHBondContact O-N 2.87Å |
| 168 | V | 89.6 | Confident | 86.9 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.1 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | F150 F153 C159 K160 Y161 | F150-V168 HydrophobicContact CB-CG1 4.41Å; F150-V168 HydrophobicContact CB-CG2 3.96Å; F150-V168 HydrophobicContact CD1-CB 4.28Å; F150-V168 HydrophobicContact CD1-CG2 3.92Å; F150-V168 HydrophobicContact CD2-CG2 3.42Å; F150-V168 VanDerWaalsContact CD2-CG2 3.42Å; F150-V168 HydrophobicContact CE1-CG2 4.24Å; F150-V168 HydrophobicContact CE2-CG2 3.79Å; F150-V168 HydrophobicContact CG-CB 4.25Å; F150-V168 HydrophobicContact CG-CG2 3.49Å; F150-V168 VanDerWaalsContact CG-CG2 3.49Å; F150-V168 HydrophobicContact CZ-CG2 4.18Å; F153-V168 HydrophobicContact CD1-CG1 3.73Å; F153-V168 HydrophobicContact CE1-CG1 4.2Å; F153-V168 HydrophobicContact CG-CG1 4.49Å; C159-V168 WeakPolarHBondContact SG-CG1 3.4Å; K160-V168 WeakPolarHBondContact O-CA 3.33Å; Y161-V168 HydrophobicContact CD2-CG2 3.76Å |
| 169 | T | 90 | Very high | 86.7 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.2 | 171.6 | -169 | 0 | 0 | 0 | 0 | 110.5 | K160 I162 | K160-T169 HydrophobicContact CB-CG2 3.83Å; K160-T169 PolarHBondContact N-O 3.44Å; K160-T169 PolarHBondContact O-N 3.48Å; I162-T169 HydrophobicContact CD1-CG2 3.79Å; I162-T169 HydrophobicContact CG1-CG2 4.11Å |
| 170 | C | 92.8 | Very high | 86.7 | Confident | 16 Ų | 16 | 92.1 Ų | 92.1 | 11% | 0.108 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.3 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | F153 C154 C172 E179 C181 | F153-C170 WeakPolarHBondContact CD1-SG 3.36Å; C154-C170 WeakPolarHBondContact CA-SG 3.41Å; C154-C170 HydrophobicContact CB-CB 3.76Å; C154-C170 WeakPolarHBondContact CB-SG 3.24Å; C154-C170 WeakPolarHBondContact SG-CA 3.49Å; C154-C170 WeakPolarHBondContact SG-CB 3.32Å; C154-C170 CovalentContact SG-SG 2.02Å; C154-C170 PolarHBondContact SG-SG 3.36Å; C170-C172 PolarHBondContact O-N 2.85Å; C170-E179 WeakPolarHBondContact CB-O 3.36Å; C170-E179 PolarHBondContact SG-O 3.36Å; C170-E179 VanDerWaalsContact SG-O 3.41Å; C170-C181 VanDerWaalsContact CB-SG 3.51Å |
| 171 | K | 92.6 | Very high | 86.8 | Confident | 123 Ų | 123 | 87.1 Ų | 87.1 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.7 | 166.7 | -174.2 | -173.7 | 175.9 | -167.7 | 0 | 108.4 | G157 E158 | G157-K171 CarbonylContact C-O 3.47Å; G157-K171 WeakPolarHBondContact CA-O 3.26Å; E158-K171 HydrophobicContact CB-CB 4.34Å; E158-K171 PolarHBondContact N-O 2.92Å; E158-K171 PolarHBondContact O-N 2.83Å |
| 172 | C | 92.8 | Very high | 86.8 | Confident | 44 Ų | 44 | 85.8 Ų | 85.8 | 30% | 0.297 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 149.1 | -177.1 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | C170 Y176 C181 | C170-C172 PolarHBondContact O-N 2.85Å; C172-Y176 WeakPolarHBondContact CB-O 3.49Å; C172-C181 WeakPolarHBondContact CA-SG 3.42Å; C172-C181 HydrophobicContact CB-CB 3.68Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 PolarHBondContact N-SG 2.91Å; C172-C181 VanDerWaalsContact SG-CA 3.53Å; C172-C181 WeakPolarHBondContact SG-CB 3.41Å; C172-C181 CovalentContact SG-SG 2.03Å; C172-C181 PolarHBondContact SG-SG 3.29Å |
| 173 | Q | 89.8 | Confident | 86.8 | Confident | 119 Ų | 119 | 88.6 Ų | 88.6 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 162.1 | 169 | -70.5 | 179.5 | 2.4 | 0 | 0 | 110.7 | H156 E175 Y176 | H156-Q173 PolarHBondContact O-N 2.87Å; Q173-E175 PolarHBondContact O-N 3.18Å; Q173-Y176 HydrophobicContact CB-CD2 4.22Å; Q173-Y176 PolarHBondContact O-N 3.03Å |
| 174 | Q | 83.7 | Confident | 86.9 | Confident | 162 Ų | 162 | 87.8 Ų | 87.8 | 76% | 0.757 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 134.4 | 178 | -154.7 | 72.6 | 21.4 | 0 | 0 | 109.7 | Y176 | Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 3.31Å |
| 175 | E | 78.9 | Confident | 86.7 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 33% | 0.327 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 6.6 | -179 | -48.3 | 169.2 | -172.2 | 0 | 0 | 115.3 | Q173 K184 S185 K187 | Q173-E175 PolarHBondContact O-N 3.18Å; E175-K184 CarbonylContact O-C 3.48Å; E175-K184 WeakPolarHBondContact O-CA 3.41Å; E175-K184 WeakPolarHBondContact O-CG 3.36Å; E175-S185 PolarHBondContact O-N 2.93Å; E175-K187 HydrophobicContact CG-CD 4.46Å; E175-K187 WeakPolarHBondContact OE1-CD 3.32Å; E175-K187 WeakPolarHBondContact OE1-CE 3.44Å; E175-K187 IonicContact OE1-NZ 2.71Å; E175-K187 PolarHBondContact OE1-NZ 3.04Å |
| 176 | Y | 87.8 | Confident | 86.1 | Confident | 56 Ų | 56 | 85.6 Ų | 85.6 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.1 | 169.5 | -67.2 | -88.8 | 0 | 0 | 0 | 111.4 | H156 C172 Q173 Q174 E183 K184 | H156-Y176 HydrophobicContact CB-CD1 3.67Å; H156-Y176 HydrophobicContact CB-CD2 3.8Å; H156-Y176 HydrophobicContact CB-CE1 3.99Å; H156-Y176 HydrophobicContact CB-CE2 4.1Å; H156-Y176 HydrophobicContact CB-CG 3.56Å; H156-Y176 AromaticContact CD2-CD1 3.4Å; H156-Y176 VanDerWaalsContact CD2-CD1 3.4Å; H156-Y176 WeakPolarHBondContact CD2-CD1 3.49Å; H156-Y176 AromaticContact CD2-CE1 3.15Å; H156-Y176 WeakPolarHBondContact CD2-CE1 3.39Å; H156-Y176 AromaticContact CD2-CZ 3.8Å; H156-Y176 AromaticContact CG-CD1 3.67Å; H156-Y176 AromaticContact CG-CE1 3.51Å; H156-Y176 AromaticContact CG-CZ 3.75Å; H156-Y176 AromaticContact NE2-CE1 3.66Å; C172-Y176 WeakPolarHBondContact CB-O 3.49Å; Q173-Y176 HydrophobicContact CB-CD2 4.22Å; Q173-Y176 PolarHBondContact O-N 3.03Å; Q174-Y176 VanDerWaalsContact C-N 3.27Å; Q174-Y176 PolarHBondContact O-N 3.31Å; Y176-E183 CarbonylContact C-O 3.46Å; Y176-E183 VanDerWaalsContact CA-O 3.24Å; Y176-E183 WeakPolarHBondContact CA-O 3.35Å; Y176-K184 HydrophobicContact CD1-CB 4.07Å; Y176-K184 HydrophobicContact CD1-CG 4.32Å; Y176-K184 HydrophobicContact CE1-CB 3.88Å; Y176-K184 HydrophobicContact CE1-CD 4.15Å; Y176-K184 HydrophobicContact CE1-CG 3.98Å |
| 177 | F | 85.1 | Confident | 85 | Confident | 94 Ų | 94 | 83.6 Ų | 83.6 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 174.5 | -178 | 68.6 | -81.9 | 0 | 0 | 0 | 111.9 | C181 G182 E183 K184 S185 | F177-C181 CarbonylContact O-C 3.55Å; F177-C181 VanDerWaalsContact O-CA 3.3Å; F177-C181 WeakPolarHBondContact O-CA 3.37Å; F177-G182 PolarHBondContact O-N 3.16Å; F177-E183 HydrophobicContact CD1-CB 3.86Å; F177-E183 VanDerWaalsContact CD1-O 3.27Å; F177-E183 WeakPolarHBondContact CD1-O 3.37Å; F177-E183 HydrophobicContact CD2-CB 3.82Å; F177-E183 HydrophobicContact CE1-CB 3.61Å; F177-E183 HydrophobicContact CE2-CB 3.61Å; F177-E183 HydrophobicContact CE2-CG 4.25Å; F177-E183 WeakPolarHBondContact CE2-OE2 3.31Å; F177-E183 HydrophobicContact CG-CB 3.97Å; F177-E183 HydrophobicContact CZ-CB 3.5Å; F177-E183 VanDerWaalsContact CZ-CB 3.5Å; F177-E183 HydrophobicContact CZ-CG 4.41Å; F177-E183 WeakPolarHBondContact CZ-OE2 3.47Å; F177-E183 PolarHBondContact N-O 2.89Å; F177-E183 PolarHBondContact O-N 3.37Å; F177-E183 VanDerWaalsContact O-N 3.17Å; F177-K184 VanDerWaalsContact CE1-C 3.49Å; F177-S185 VanDerWaalsContact CE1-CA 3.46Å; F177-S185 VanDerWaalsContact CE1-N 3.27Å |
| 178 | G | 87.4 | Confident | 83.8 | Confident | 31 Ų | 31 | 88 Ų | 88 | 32% | 0.32 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 94 | 165.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R180 C181 | G178-R180 PolarHBondContact O-N 2.87Å; G178-R180 VanDerWaalsContact O-N 3.11Å; G178-C181 PolarHBondContact O-N 2.93Å |
| 179 | E | 87.9 | Confident | 82 | Confident | 172 Ų | 172 | 91.9 Ų | 91.9 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.7 | -174 | -62.5 | -178.5 | 171.8 | 0 | 0 | 113.3 | C170 | C170-E179 WeakPolarHBondContact CB-O 3.36Å; C170-E179 PolarHBondContact SG-O 3.36Å; C170-E179 VanDerWaalsContact SG-O 3.41Å |
| 180 | R | 91.3 | Very high | 80.3 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 4.2 | 178.9 | -63.4 | -172.1 | 67.2 | -142.3 | -3.8 | 113.9 | N152 F153 I155 G178 G182 | N152-R180 PolarHBondContact O-NH2 3.43Å; F153-R180 HydrophobicContact CD1-CG 4.45Å; F153-R180 HydrophobicContact CD2-CG 4.18Å; F153-R180 HydrophobicContact CE1-CG 4Å; F153-R180 HydrophobicContact CE2-CG 3.71Å; F153-R180 HydrophobicContact CZ-CG 3.61Å; F153-R180 WeakPolarHBondContact O-CB 3.4Å; F153-R180 PolarHBondContact O-NE 3.49Å; F153-R180 PolarHBondContact O-NH2 3.46Å; I155-R180 PolarHBondContact N-O 2.85Å; G178-R180 PolarHBondContact O-N 2.87Å; G178-R180 VanDerWaalsContact O-N 3.11Å; R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 2.97Å |
| 181 | C | 91.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 50% | 0.502 | C | S | . | . | S | Bend | trans | 55.6 | 40.3 | -173.6 | -44.5 | 0 | 0 | 0 | 0 | 112.9 | H156 C170 C172 F177 G178 | H156-C181 HydrophobicContact CB-CB 4.32Å; H156-C181 WeakPolarHBondContact CB-O 3.25Å; H156-C181 PolarHBondContact CD2-O 3.27Å; H156-C181 PolarHBondContact N-O 3.48Å; H156-C181 WeakPolarHBondContact O-CB 3.25Å; C170-C181 VanDerWaalsContact CB-SG 3.51Å; C172-C181 WeakPolarHBondContact CA-SG 3.42Å; C172-C181 HydrophobicContact CB-CB 3.68Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 PolarHBondContact N-SG 2.91Å; C172-C181 VanDerWaalsContact SG-CA 3.53Å; C172-C181 WeakPolarHBondContact SG-CB 3.41Å; C172-C181 CovalentContact SG-SG 2.03Å; C172-C181 PolarHBondContact SG-SG 3.29Å; F177-C181 CarbonylContact O-C 3.55Å; F177-C181 VanDerWaalsContact O-CA 3.3Å; F177-C181 WeakPolarHBondContact O-CA 3.37Å; G178-C181 PolarHBondContact O-N 2.93Å |
| 182 | G | 88.1 | Confident | 76.7 | Confident | 45 Ų | 45 | 98 Ų | 98 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | trans | -93.3 | -18.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F177 R180 | F177-G182 PolarHBondContact O-N 3.16Å; R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 2.97Å | ||
| 183 | E | 85.8 | Confident | 75.2 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.6 | -177.1 | -61.6 | 168.2 | -122 | 0 | 0 | 108.7 | Y176 F177 | Y176-E183 CarbonylContact C-O 3.46Å; Y176-E183 VanDerWaalsContact CA-O 3.24Å; Y176-E183 WeakPolarHBondContact CA-O 3.35Å; F177-E183 HydrophobicContact CD1-CB 3.86Å; F177-E183 VanDerWaalsContact CD1-O 3.27Å; F177-E183 WeakPolarHBondContact CD1-O 3.37Å; F177-E183 HydrophobicContact CD2-CB 3.82Å; F177-E183 HydrophobicContact CE1-CB 3.61Å; F177-E183 HydrophobicContact CE2-CB 3.61Å; F177-E183 HydrophobicContact CE2-CG 4.25Å; F177-E183 WeakPolarHBondContact CE2-OE2 3.31Å; F177-E183 HydrophobicContact CG-CB 3.97Å; F177-E183 HydrophobicContact CZ-CB 3.5Å; F177-E183 VanDerWaalsContact CZ-CB 3.5Å; F177-E183 HydrophobicContact CZ-CG 4.41Å; F177-E183 WeakPolarHBondContact CZ-OE2 3.47Å; F177-E183 PolarHBondContact N-O 2.89Å; F177-E183 PolarHBondContact O-N 3.37Å; F177-E183 VanDerWaalsContact O-N 3.17Å |
| 184 | K | 84.8 | Confident | 74 | Confident | 130 Ų | 130 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.6 | 177.2 | -170 | 176.1 | -178.4 | 176.7 | 0 | 109.1 | E175 Y176 F177 M186 | E175-K184 CarbonylContact O-C 3.48Å; E175-K184 WeakPolarHBondContact O-CA 3.41Å; E175-K184 WeakPolarHBondContact O-CG 3.36Å; Y176-K184 HydrophobicContact CD1-CB 4.07Å; Y176-K184 HydrophobicContact CD1-CG 4.32Å; Y176-K184 HydrophobicContact CE1-CB 3.88Å; Y176-K184 HydrophobicContact CE1-CD 4.15Å; Y176-K184 HydrophobicContact CE1-CG 3.98Å; F177-K184 VanDerWaalsContact CE1-C 3.49Å; K184-M186 PolarHBondContact O-N 3.43Å |
| 185 | S | 75.3 | Confident | 73.5 | Confident | 61 Ų | 61 | 94.1 Ų | 94.1 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | trans | -71.3 | 114.6 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | E175 F177 K187 | E175-S185 PolarHBondContact O-N 2.93Å; F177-S185 VanDerWaalsContact CE1-CA 3.46Å; F177-S185 VanDerWaalsContact CE1-N 3.27Å; S185-K187 PolarHBondContact O-N 2.89Å | ||
| 186 | M | 68.6 | Low | 73.3 | Confident | 168 Ų | 168 | 95.2 Ų | 95.2 | 83% | 0.828 | 51% | 0.506 | S | S | * | . | trans | -65.8 | 107.5 | 171.5 | -131.8 | 178.7 | 74 | 0 | 0 | 106.7 | K184 T188 | K184-M186 PolarHBondContact O-N 3.43Å; M186-T188 VanDerWaalsContact C-N 3.34Å; M186-T188 PolarHBondContact O-N 2.89Å | ||
| 187 | K | 58.6 | Low | 73 | Confident | 117 Ų | 117 | 95.1 Ų | 95.1 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | trans | -65.3 | 95.3 | 178.9 | -157.1 | -176.9 | -148.6 | 159.8 | 0 | 107.9 | E175 S185 H189 | E175-K187 HydrophobicContact CG-CD 4.46Å; E175-K187 WeakPolarHBondContact OE1-CD 3.32Å; E175-K187 WeakPolarHBondContact OE1-CE 3.44Å; E175-K187 IonicContact OE1-NZ 2.71Å; E175-K187 PolarHBondContact OE1-NZ 3.04Å; S185-K187 PolarHBondContact O-N 2.89Å; K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.33Å | ||
| 188 | T | 57.7 | Low | 73.2 | Confident | 134 Ų | 134 | 97.5 Ų | 97.5 | 82% | 0.822 | 52% | 0.524 | S | S | * | . | trans | -62.2 | 100.1 | 168 | -11.2 | 0 | 0 | 0 | 0 | 105.9 | M186 S190 | M186-T188 VanDerWaalsContact C-N 3.34Å; M186-T188 PolarHBondContact O-N 2.89Å; T188-S190 PolarHBondContact O-N 3.35Å | ||
| 189 | H | 50.9 | Low | 73.2 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | trans | -61.2 | 105.8 | -168.9 | -123.5 | -120.7 | 0 | 0 | 0 | 109.6 | K187 M191 I192 | K187-H189 VanDerWaalsContact C-N 3.3Å; K187-H189 PolarHBondContact O-N 3.33Å; H189-M191 VanDerWaalsContact CE1-SD 3.52Å; H189-M191 WeakPolarHBondContact ND1-CG 3.38Å; H189-M191 PolarHBondContact ND1-SD 3.07Å; H189-M191 VanDerWaalsContact ND1-SD 3.39Å; H189-M191 PolarHBondContact O-N 3.36Å; H189-I192 PolarHBondContact O-N 2.84Å | ||
| 190 | S | 55.6 | Low | 73.3 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 10 | 167.4 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | T188 I192 D193 | T188-S190 PolarHBondContact O-N 3.35Å; S190-I192 PolarHBondContact O-N 3.31Å; S190-D193 PolarHBondContact O-N 3.47Å |
| 191 | M | 53.5 | Low | 73.3 | Confident | 133 Ų | 133 | 96 Ų | 96 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.8 | -21.8 | 168.8 | -80.4 | -165.5 | 170.7 | 0 | 0 | 112.9 | H189 D193 S195 | H189-M191 VanDerWaalsContact CE1-SD 3.52Å; H189-M191 WeakPolarHBondContact ND1-CG 3.38Å; H189-M191 PolarHBondContact ND1-SD 3.07Å; H189-M191 VanDerWaalsContact ND1-SD 3.39Å; H189-M191 PolarHBondContact O-N 3.36Å; M191-D193 VanDerWaalsContact C-N 3.33Å; M191-S195 PolarHBondContact O-OG 3.36Å |
| 192 | I | 56.3 | Low | 73.5 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 55% | 0.549 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -37.6 | 173.8 | -64.5 | 177.3 | 0 | 0 | 0 | 109.5 | H189 S190 S194 S195 L196 | H189-I192 PolarHBondContact O-N 2.84Å; S190-I192 PolarHBondContact O-N 3.31Å; I192-S194 PolarHBondContact O-N 3.22Å; I192-S195 PolarHBondContact O-OG 2.9Å; I192-L196 HydrophobicContact CG2-CD1 3.23Å; I192-L196 HydrophobicContact CG2-CG 3.66Å; I192-L196 WeakPolarHBondContact O-CB 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.43Å; I192-L196 PolarHBondContact O-N 2.85Å |
| 193 | D | 60 | Low | 73.8 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | -177.2 | -70.9 | -37.8 | 0 | 0 | 0 | 113.8 | S190 M191 S197 | S190-D193 PolarHBondContact O-N 3.47Å; M191-D193 VanDerWaalsContact C-N 3.33Å; D193-S197 WeakPolarHBondContact O-CB 3.22Å; D193-S197 PolarHBondContact O-N 3.28Å; D193-S197 PolarHBondContact O-OG 2.97Å |
| 194 | S | 65.8 | Low | 74.3 | Confident | 68 Ų | 68 | 99.4 Ų | 99.4 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.8 | -33.7 | -179.4 | -175.3 | 0 | 0 | 0 | 0 | 113.2 | I192 S197 K198 | I192-S194 PolarHBondContact O-N 3.22Å; S194-S197 WeakPolarHBondContact CA-OG 3.3Å; S194-S197 PolarHBondContact O-OG 3.44Å; S194-K198 WeakPolarHBondContact O-CG 3.48Å; S194-K198 PolarHBondContact O-N 3.33Å |
| 195 | S | 72.4 | Confident | 74.9 | Confident | 60 Ų | 60 | 96 Ų | 96 | 42% | 0.42 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -80.4 | -42.9 | 178 | 54 | 0 | 0 | 0 | 0 | 111.5 | M191 I192 K198 I199 | M191-S195 PolarHBondContact O-OG 3.36Å; I192-S195 PolarHBondContact O-OG 2.9Å; S195-K198 PolarHBondContact O-N 2.89Å; S195-I199 WeakPolarHBondContact O-CG1 3.24Å; S195-I199 PolarHBondContact O-N 2.97Å; S195-I199 VanDerWaalsContact O-N 3.13Å |
| 196 | L | 74.2 | Confident | 75.9 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.9 | -36.1 | 174.1 | -67.4 | -170.5 | 0 | 0 | 0 | 112.3 | I192 K198 I199 A200 | I192-L196 HydrophobicContact CG2-CD1 3.23Å; I192-L196 HydrophobicContact CG2-CG 3.66Å; I192-L196 WeakPolarHBondContact O-CB 3.27Å; I192-L196 WeakPolarHBondContact O-CG 3.43Å; I192-L196 PolarHBondContact O-N 2.85Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.98Å; L196-I199 HydrophobicContact CD2-CD1 4.38Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.31Å; L196-A200 PolarHBondContact O-N 3.42Å |
| 197 | S | 83 | Confident | 77.3 | Confident | 54 Ų | 54 | 95 Ų | 95 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 174.4 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | D193 S194 A200 L201 | D193-S197 WeakPolarHBondContact O-CB 3.22Å; D193-S197 PolarHBondContact O-N 3.28Å; D193-S197 PolarHBondContact O-OG 2.97Å; S194-S197 WeakPolarHBondContact CA-OG 3.3Å; S194-S197 PolarHBondContact O-OG 3.44Å; S197-A200 PolarHBondContact O-N 3.5Å; S197-L201 WeakPolarHBondContact O-CB 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 2.93Å |
| 198 | K | 88 | Confident | 79.1 | Confident | 145 Ų | 145 | 94 Ų | 94 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 173.7 | -73.8 | 176.1 | -176.4 | 178.7 | 0 | 112.3 | S194 S195 L196 L201 A202 | S194-K198 WeakPolarHBondContact O-CG 3.48Å; S194-K198 PolarHBondContact O-N 3.33Å; S195-K198 PolarHBondContact O-N 2.89Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 2.98Å; K198-L201 PolarHBondContact O-N 3Å; K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.04Å |
| 199 | I | 88.6 | Confident | 81.1 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 177.1 | -65.8 | 165.2 | 0 | 0 | 0 | 110.5 | S195 L196 A202 A203 | S195-I199 WeakPolarHBondContact O-CG1 3.24Å; S195-I199 PolarHBondContact O-N 2.97Å; S195-I199 VanDerWaalsContact O-N 3.13Å; L196-I199 HydrophobicContact CD2-CD1 4.38Å; L196-I199 PolarHBondContact O-N 3.42Å; I199-A202 PolarHBondContact O-N 3.45Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.33Å |
| 200 | A | 89.6 | Confident | 83.3 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L196 S197 A202 A203 I204 | L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.31Å; L196-A200 PolarHBondContact O-N 3.42Å; S197-A200 PolarHBondContact O-N 3.5Å; A200-A202 PolarHBondContact O-N 3.47Å; A200-A203 PolarHBondContact O-N 3.35Å; A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 3.32Å |
| 201 | L | 91.3 | Very high | 85.3 | Confident | 118 Ų | 118 | 86.6 Ų | 86.6 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 175.5 | -72.6 | 171.4 | 0 | 0 | 0 | 112 | S197 K198 A203 I204 A205 | S197-L201 WeakPolarHBondContact O-CB 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 2.93Å; K198-L201 PolarHBondContact O-N 3Å; L201-A203 VanDerWaalsContact C-N 3.35Å; L201-A203 PolarHBondContact O-N 3.44Å; L201-I204 PolarHBondContact O-N 3.37Å; L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 3.05Å |
| 202 | A | 94.9 | Very high | 87.4 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K198 I199 A200 A205 A206 | K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.04Å; I199-A202 PolarHBondContact O-N 3.45Å; A200-A202 PolarHBondContact O-N 3.47Å; A202-A205 PolarHBondContact O-N 3.43Å; A202-A206 WeakPolarHBondContact O-CB 3.43Å; A202-A206 PolarHBondContact O-N 3Å |
| 203 | A | 95.4 | Very high | 89.3 | Confident | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I199 A200 L201 A206 F207 | I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.33Å; A200-A203 PolarHBondContact O-N 3.35Å; L201-A203 VanDerWaalsContact C-N 3.35Å; L201-A203 PolarHBondContact O-N 3.44Å; A203-A206 PolarHBondContact O-N 3.45Å; A203-F207 PolarHBondContact O-N 2.97Å |
| 204 | I | 95.9 | Very high | 91.1 | Very high | 104 Ų | 104 | 83.2 Ų | 83.2 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.6 | -66.7 | 163.6 | 0 | 0 | 0 | 110.4 | A200 L201 A206 F207 M208 | A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.43Å; A200-I204 PolarHBondContact O-N 3.32Å; L201-I204 PolarHBondContact O-N 3.37Å; I204-A206 PolarHBondContact O-N 2.86Å; I204-F207 PolarHBondContact O-N 3.24Å; I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 2.89Å |
| 205 | A | 96.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 82.2 Ų | 82.2 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L201 A202 M208 S209 | L201-A205 WeakPolarHBondContact O-CB 3.2Å; L201-A205 PolarHBondContact O-N 3.05Å; A202-A205 PolarHBondContact O-N 3.43Å; A205-M208 PolarHBondContact O-N 3.49Å; A205-S209 WeakPolarHBondContact O-CB 3.38Å; A205-S209 PolarHBondContact O-N 2.98Å |
| 206 | A | 97.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 83.6 Ų | 83.6 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A202 A203 I204 S209 A210 | A202-A206 WeakPolarHBondContact O-CB 3.43Å; A202-A206 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 3.45Å; I204-A206 PolarHBondContact O-N 2.86Å; A206-S209 PolarHBondContact O-N 3.14Å; A206-A210 PolarHBondContact O-N 3.29Å |
| 207 | F | 97.3 | Very high | 94.9 | Very high | 144 Ų | 144 | 81.5 Ų | 81.5 | 63% | 0.632 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 177.5 | -173.7 | -99.2 | 0 | 0 | 0 | 111.8 | A203 I204 S209 A210 V211 | A203-F207 PolarHBondContact O-N 2.97Å; I204-F207 PolarHBondContact O-N 3.24Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.43Å; F207-A210 PolarHBondContact O-N 3.28Å; F207-V211 HydrophobicContact CD1-CG2 4.14Å; F207-V211 HydrophobicContact CE1-CG2 3.8Å; F207-V211 HydrophobicContact CZ-CG2 4.07Å; F207-V211 WeakPolarHBondContact O-CG2 3.13Å; F207-V211 PolarHBondContact O-N 3.5Å |
| 208 | M | 97.7 | Very high | 95.5 | Very high | 98 Ų | 98 | 83.8 Ų | 83.8 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.9 | -69.6 | -56.8 | -64.3 | 0 | 0 | 112.2 | I204 A205 A210 V211 I212 | I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 2.89Å; A205-M208 PolarHBondContact O-N 3.49Å; M208-A210 PolarHBondContact O-N 3.36Å; M208-V211 PolarHBondContact O-N 3.15Å; M208-I212 WeakPolarHBondContact O-CB 3.38Å; M208-I212 WeakPolarHBondContact O-CD1 3.05Å; M208-I212 WeakPolarHBondContact O-CG1 3.08Å; M208-I212 PolarHBondContact O-N 2.87Å |
| 209 | S | 97.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 81.6 Ų | 81.6 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A205 A206 F207 V211 I212 L213 | A205-S209 WeakPolarHBondContact O-CB 3.38Å; A205-S209 PolarHBondContact O-N 2.98Å; A206-S209 PolarHBondContact O-N 3.14Å; F207-S209 VanDerWaalsContact C-N 3.33Å; F207-S209 PolarHBondContact O-N 3.43Å; S209-V211 PolarHBondContact O-N 3.39Å; S209-I212 PolarHBondContact O-N 2.87Å; S209-L213 WeakPolarHBondContact O-CB 3.4Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.18Å; S209-L213 PolarHBondContact O-N 3.19Å |
| 210 | A | 97.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 79.2 Ų | 79.2 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A206 F207 M208 L213 T214 | A206-A210 PolarHBondContact O-N 3.29Å; F207-A210 PolarHBondContact O-N 3.28Å; M208-A210 PolarHBondContact O-N 3.36Å; A210-L213 PolarHBondContact O-N 3.46Å; A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 VanDerWaalsContact O-CG2 3.25Å; A210-T214 WeakPolarHBondContact O-CG2 3.48Å; A210-T214 PolarHBondContact O-N 3.31Å; A210-T214 PolarHBondContact O-OG1 3.13Å |
| 211 | V | 97.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 81.2 Ų | 81.2 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | F207 M208 S209 T214 A215 | F207-V211 HydrophobicContact CD1-CG2 4.14Å; F207-V211 HydrophobicContact CE1-CG2 3.8Å; F207-V211 HydrophobicContact CZ-CG2 4.07Å; F207-V211 WeakPolarHBondContact O-CG2 3.13Å; F207-V211 PolarHBondContact O-N 3.5Å; M208-V211 PolarHBondContact O-N 3.15Å; S209-V211 PolarHBondContact O-N 3.39Å; V211-T214 WeakPolarHBondContact CA-OG1 2.89Å; V211-T214 PolarHBondContact O-OG1 2.93Å; V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 2.78Å |
| 212 | I | 97.9 | Very high | 96.7 | Very high | 91 Ų | 91 | 80.1 Ų | 80.1 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.5 | -68.3 | 164.3 | 0 | 0 | 0 | 110.7 | M208 S209 T214 A215 I216 | M208-I212 WeakPolarHBondContact O-CB 3.38Å; M208-I212 WeakPolarHBondContact O-CD1 3.05Å; M208-I212 WeakPolarHBondContact O-CG1 3.08Å; M208-I212 PolarHBondContact O-N 2.87Å; S209-I212 PolarHBondContact O-N 2.87Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 2.96Å; I212-A215 PolarHBondContact O-N 2.78Å; I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.45Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.46Å |
| 213 | L | 97.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 82.1 Ų | 82.1 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 179.2 | -70.4 | 174 | 0 | 0 | 0 | 111.9 | S209 A210 I216 A217 | S209-L213 WeakPolarHBondContact O-CB 3.4Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.18Å; S209-L213 PolarHBondContact O-N 3.19Å; A210-L213 PolarHBondContact O-N 3.46Å; L213-I216 PolarHBondContact O-N 2.64Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 3.25Å |
| 214 | T | 96.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 88.3 Ų | 88.3 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 175.8 | 51 | 0 | 0 | 0 | 0 | 111.9 | A210 V211 I212 I216 A217 V218 | A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 VanDerWaalsContact O-CG2 3.25Å; A210-T214 WeakPolarHBondContact O-CG2 3.48Å; A210-T214 PolarHBondContact O-N 3.31Å; A210-T214 PolarHBondContact O-OG1 3.13Å; V211-T214 WeakPolarHBondContact CA-OG1 2.89Å; V211-T214 PolarHBondContact O-OG1 2.93Å; I212-T214 VanDerWaalsContact C-N 3.33Å; I212-T214 PolarHBondContact O-N 2.96Å; T214-I216 PolarHBondContact O-N 3.38Å; T214-A217 PolarHBondContact O-N 3.48Å; T214-V218 WeakPolarHBondContact O-CG2 3.24Å; T214-V218 PolarHBondContact O-N 3.34Å |
| 215 | A | 97.5 | Very high | 96.5 | Very high | 47 Ų | 47 | 89 Ų | 89 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V211 I212 A217 V218 I219 | V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 2.78Å; I212-A215 PolarHBondContact O-N 2.78Å; A215-A217 PolarHBondContact O-N 3.39Å; A215-V218 PolarHBondContact O-N 3Å; A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 VanDerWaalsContact O-CG1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 2.91Å |
| 216 | I | 97.5 | Very high | 96.3 | Very high | 90 Ų | 90 | 93.2 Ų | 93.2 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -66.2 | 167 | 0 | 0 | 0 | 110.8 | I212 L213 T214 V218 I219 T220 | I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.45Å; I212-I216 VanDerWaalsContact O-CG1 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.46Å; L213-I216 PolarHBondContact O-N 2.64Å; T214-I216 PolarHBondContact O-N 3.38Å; I216-V218 PolarHBondContact O-N 3.24Å; I216-I219 PolarHBondContact O-N 3.39Å; I216-T220 HydrophobicContact CG2-CG2 4.17Å; I216-T220 WeakPolarHBondContact O-CB 3.3Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.4Å; I216-T220 PolarHBondContact O-N 2.97Å; I216-T220 PolarHBondContact O-OG1 2.94Å |
| 217 | A | 96.9 | Very high | 96 | Very high | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L213 T214 A215 T220 V221 | L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 3.25Å; T214-A217 PolarHBondContact O-N 3.48Å; A215-A217 PolarHBondContact O-N 3.39Å; A217-T220 WeakPolarHBondContact CA-OG1 3.4Å; A217-T220 PolarHBondContact O-N 2.88Å; A217-T220 PolarHBondContact O-OG1 3.41Å; A217-V221 WeakPolarHBondContact O-CB 3.01Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.21Å; A217-V221 PolarHBondContact O-N 3.49Å |
| 218 | V | 96.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 94.5 Ų | 94.5 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | T214 A215 I216 V221 H222 | T214-V218 WeakPolarHBondContact O-CG2 3.24Å; T214-V218 PolarHBondContact O-N 3.34Å; A215-V218 PolarHBondContact O-N 3Å; I216-V218 PolarHBondContact O-N 3.24Å; V218-V221 PolarHBondContact O-N 3.17Å; V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.22Å |
| 219 | I | 96.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 178.4 | -68 | 164.5 | 0 | 0 | 0 | 110.3 | A215 I216 V221 H222 L223 | A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.5Å; A215-I219 VanDerWaalsContact O-CG1 3.23Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 2.91Å; I216-I219 PolarHBondContact O-N 3.39Å; I219-V221 PolarHBondContact O-N 2.86Å; I219-H222 PolarHBondContact O-N 3.28Å; I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.34Å; I219-L223 VanDerWaalsContact O-CG 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.91Å |
| 220 | T | 95.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 102.1 Ų | 102.1 | 37% | 0.368 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | I216 A217 L223 R224 | I216-T220 HydrophobicContact CG2-CG2 4.17Å; I216-T220 WeakPolarHBondContact O-CB 3.3Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.4Å; I216-T220 PolarHBondContact O-N 2.97Å; I216-T220 PolarHBondContact O-OG1 2.94Å; A217-T220 WeakPolarHBondContact CA-OG1 3.4Å; A217-T220 PolarHBondContact O-N 2.88Å; A217-T220 PolarHBondContact O-OG1 3.41Å; T220-L223 PolarHBondContact O-N 2.87Å; T220-R224 WeakPolarHBondContact O-CB 3.37Å; T220-R224 VanDerWaalsContact O-CG 3.26Å; T220-R224 WeakPolarHBondContact O-CG 3.03Å; T220-R224 PolarHBondContact O-N 3.39Å |
| 221 | V | 95.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 106.7 Ų | 106.7 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | A217 V218 I219 R224 K225 | A217-V221 WeakPolarHBondContact O-CB 3.01Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.21Å; A217-V221 PolarHBondContact O-N 3.49Å; V218-V221 PolarHBondContact O-N 3.17Å; I219-V221 PolarHBondContact O-N 2.86Å; V221-R224 PolarHBondContact O-N 2.82Å; V221-K225 VanDerWaalsContact O-CB 3.29Å; V221-K225 WeakPolarHBondContact O-CB 3.43Å; V221-K225 PolarHBondContact O-N 3.05Å |
| 222 | H | 94.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 109.3 Ų | 109.3 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -42 | 178.8 | -161.6 | 51 | 0 | 0 | 0 | 111.8 | V218 I219 K225 R226 | V218-H222 WeakPolarHBondContact O-CB 3.18Å; V218-H222 PolarHBondContact O-N 3.22Å; I219-H222 PolarHBondContact O-N 3.28Å; H222-K225 PolarHBondContact O-N 2.86Å; H222-R226 PolarHBondContact NE2-NH2 2.78Å; H222-R226 WeakPolarHBondContact O-CG 3.15Å; H222-R226 PolarHBondContact O-N 3.1Å |
| 223 | L | 94.6 | Very high | 93 | Very high | 104 Ų | 104 | 106.5 Ų | 106.5 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175 | -71.3 | 175.9 | 0 | 0 | 0 | 111.5 | I219 T220 K225 R226 Y227 | I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.34Å; I219-L223 VanDerWaalsContact O-CG 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.91Å; T220-L223 PolarHBondContact O-N 2.87Å; L223-K225 PolarHBondContact O-N 3Å; L223-R226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 3.42Å |
| 224 | R | 94 | Very high | 92.4 | Very high | 188 Ų | 188 | 106.4 Ų | 106.4 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 174.3 | -76.5 | 179.3 | -178.6 | -171.5 | 2 | 111.3 | T220 V221 R226 Y227 V228 | T220-R224 WeakPolarHBondContact O-CB 3.37Å; T220-R224 VanDerWaalsContact O-CG 3.26Å; T220-R224 WeakPolarHBondContact O-CG 3.03Å; T220-R224 PolarHBondContact O-N 3.39Å; V221-R224 PolarHBondContact O-N 2.82Å; R224-R226 PolarHBondContact O-N 3.17Å; R224-Y227 PolarHBondContact O-N 3.03Å; R224-V228 WeakPolarHBondContact O-CB 3.32Å; R224-V228 VanDerWaalsContact O-CG2 3.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.47Å; R224-V228 PolarHBondContact O-N 2.71Å |
| 225 | K | 92.5 | Very high | 91.6 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 178.1 | -171 | 175 | -177.9 | 174.9 | 0 | 112 | V221 H222 L223 R229 | V221-K225 VanDerWaalsContact O-CB 3.29Å; V221-K225 WeakPolarHBondContact O-CB 3.43Å; V221-K225 PolarHBondContact O-N 3.05Å; H222-K225 PolarHBondContact O-N 2.86Å; L223-K225 PolarHBondContact O-N 3Å; K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 WeakPolarHBondContact O-CG 3.41Å; K225-R229 PolarHBondContact O-N 2.73Å |
| 226 | R | 92.8 | Very high | 91 | Very high | 150 Ų | 150 | 107 Ų | 107 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | 173.9 | -73.9 | -169.3 | -161.9 | -160.6 | 9.1 | 111.9 | H222 L223 R224 R229 K230 | H222-R226 PolarHBondContact NE2-NH2 2.78Å; H222-R226 WeakPolarHBondContact O-CG 3.15Å; H222-R226 PolarHBondContact O-N 3.1Å; L223-R226 PolarHBondContact O-N 3.41Å; R224-R226 PolarHBondContact O-N 3.17Å; R226-R229 PolarHBondContact O-N 3.41Å; R226-K230 PolarHBondContact O-N 3.45Å; R226-K230 VanDerWaalsContact O-N 3.07Å |
| 227 | Y | 91.1 | Very high | 90.5 | Very high | 162 Ų | 162 | 109 Ų | 109 | 64% | 0.635 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -47.7 | 179.7 | -173.4 | -94 | 0 | 0 | 0 | 111.5 | L223 R224 R229 K230 Y231 | L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 3.42Å; R224-Y227 PolarHBondContact O-N 3.03Å; Y227-R229 PolarHBondContact O-N 3.48Å; Y227-K230 PolarHBondContact O-N 2.76Å; Y227-Y231 WeakPolarHBondContact O-CB 3.39Å; Y227-Y231 PolarHBondContact O-N 3.05Å |
| 228 | V | 91 | Very high | 89.7 | Confident | 70 Ų | 70 | 115 Ų | 115 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | R224 K230 Y231 E232 | R224-V228 WeakPolarHBondContact O-CB 3.32Å; R224-V228 VanDerWaalsContact O-CG2 3.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.47Å; R224-V228 PolarHBondContact O-N 2.71Å; V228-K230 VanDerWaalsContact C-N 3.32Å; V228-K230 PolarHBondContact O-N 2.03Å; V228-Y231 PolarHBondContact O-N 2.91Å; V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CB 2.96Å; V228-E232 WeakPolarHBondContact O-CG 3.25Å; V228-E232 PolarHBondContact O-N 3.11Å |
| 229 | R | 89.2 | Confident | 89.2 | Confident | 168 Ų | 168 | 117.3 Ų | 117.3 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.6 | -39.7 | 176.6 | -78.4 | -173.7 | 179.9 | -160.9 | -1.4 | 113.4 | K225 R226 Y227 G233 | K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 WeakPolarHBondContact O-CG 3.41Å; K225-R229 PolarHBondContact O-N 2.73Å; R226-R229 PolarHBondContact O-N 3.41Å; Y227-R229 PolarHBondContact O-N 3.48Å; R229-G233 PolarHBondContact O-N 3.48Å; R229-G233 VanDerWaalsContact O-N 3.09Å |
| 230 | K | 88.1 | Confident | 88.6 | Confident | 154 Ų | 154 | 118.3 Ų | 118.3 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -45.4 | 175.3 | -76.5 | -170.3 | 174.9 | -168.8 | 0 | 111.3 | R226 Y227 V228 G233 E234 | R226-K230 PolarHBondContact O-N 3.45Å; R226-K230 VanDerWaalsContact O-N 3.07Å; Y227-K230 PolarHBondContact O-N 2.76Å; V228-K230 VanDerWaalsContact C-N 3.32Å; V228-K230 PolarHBondContact O-N 2.03Å; K230-G233 PolarHBondContact O-N 2.89Å; K230-E234 PolarHBondContact O-N 3.06Å |
| 231 | Y | 84.1 | Confident | 88.1 | Confident | 146 Ų | 146 | 120.7 Ų | 120.7 | 57% | 0.573 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 179.7 | -171.1 | -94.3 | 0 | 0 | 0 | 112.4 | Y227 V228 E234 A235 | Y227-Y231 WeakPolarHBondContact O-CB 3.39Å; Y227-Y231 PolarHBondContact O-N 3.05Å; V228-Y231 PolarHBondContact O-N 2.91Å; Y231-E234 PolarHBondContact O-N 3.23Å; Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 2.99Å; Y231-A235 PolarHBondContact O-N 3.4Å |
| 232 | E | 84.1 | Confident | 87.4 | Confident | 119 Ų | 119 | 126.3 Ų | 126.3 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -41 | 174.1 | -74.3 | 176.6 | 172.1 | 0 | 0 | 111.8 | V228 A235 E236 | V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CB 2.96Å; V228-E232 WeakPolarHBondContact O-CG 3.25Å; V228-E232 PolarHBondContact O-N 3.11Å; E232-A235 PolarHBondContact O-N 2.95Å; E232-E236 PolarHBondContact O-N 3.33Å |
| 233 | G | 84.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 128 Ų | 128 | 32% | 0.32 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.8 | -48.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R229 K230 A235 E236 E237 | R229-G233 PolarHBondContact O-N 3.48Å; R229-G233 VanDerWaalsContact O-N 3.09Å; K230-G233 PolarHBondContact O-N 2.89Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.43Å; G233-E236 PolarHBondContact O-N 3.39Å; G233-E237 PolarHBondContact O-N 3.1Å |
| 234 | E | 84.8 | Confident | 86.2 | Confident | 106 Ų | 106 | 129.1 Ų | 129.1 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.5 | -37.4 | 175.9 | -71.8 | -178.9 | -173.1 | 0 | 0 | 112.1 | K230 Y231 R238 | K230-E234 PolarHBondContact O-N 3.06Å; Y231-E234 PolarHBondContact O-N 3.23Å; E234-R238 WeakPolarHBondContact O-CB 3.42Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.08Å; E234-R238 PolarHBondContact O-N 2.87Å |
| 235 | A | 81.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 125.2 Ų | 125.2 | 31% | 0.306 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.6 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y231 E232 G233 K239 | Y231-A235 VanDerWaalsContact O-CB 3.29Å; Y231-A235 WeakPolarHBondContact O-CB 2.99Å; Y231-A235 PolarHBondContact O-N 3.4Å; E232-A235 PolarHBondContact O-N 2.95Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.43Å; A235-K239 VanDerWaalsContact O-CG 3.31Å; A235-K239 WeakPolarHBondContact O-CG 3.43Å; A235-K239 PolarHBondContact O-N 2.89Å; A235-K239 VanDerWaalsContact O-N 3.17Å |
| 236 | E | 85.3 | Confident | 84.7 | Confident | 107 Ų | 107 | 121.6 Ų | 121.6 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.8 | -44.2 | 174.6 | -163.4 | -168.2 | 143.3 | 0 | 0 | 111.6 | E232 G233 R238 K239 K240 | E232-E236 PolarHBondContact O-N 3.33Å; G233-E236 PolarHBondContact O-N 3.39Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.88Å; E236-K239 WeakPolarHBondContact O-CB 3.32Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 VanDerWaalsContact O-N 3.12Å; E236-K240 PolarHBondContact O-N 3.08Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.03Å; E236-K240 IonicContact OE1-NZ 2.76Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å |
| 237 | E | 85.1 | Confident | 83.6 | Confident | 132 Ų | 132 | 118.9 Ų | 118.9 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -43.4 | 175.5 | -73.2 | -171.1 | 167.4 | 0 | 0 | 111.7 | G233 K239 K240 L241 | G233-E237 PolarHBondContact O-N 3.1Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 2.86Å; E237-K240 PolarHBondContact O-N 3.3Å; E237-L241 PolarHBondContact O-N 3.06Å |
| 238 | R | 81.5 | Confident | 82.7 | Confident | 176 Ų | 176 | 115.6 Ų | 115.6 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -32.6 | 175.2 | -75.1 | -179.3 | -178.2 | -159 | 2.6 | 113 | E234 E236 R242 | E234-R238 WeakPolarHBondContact O-CB 3.42Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.08Å; E234-R238 PolarHBondContact O-N 2.87Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.88Å; R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.99Å |
| 239 | K | 84.9 | Confident | 81.4 | Confident | 149 Ų | 149 | 119.4 Ų | 119.4 | 65% | 0.648 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.2 | -42.6 | 174 | -73.5 | 171.7 | -176.3 | 179.5 | 0 | 111.3 | A235 E236 E237 R242 Q243 | A235-K239 VanDerWaalsContact O-CG 3.31Å; A235-K239 WeakPolarHBondContact O-CG 3.43Å; A235-K239 PolarHBondContact O-N 2.89Å; A235-K239 VanDerWaalsContact O-N 3.17Å; E236-K239 WeakPolarHBondContact O-CB 3.32Å; E236-K239 PolarHBondContact O-N 2.82Å; E236-K239 VanDerWaalsContact O-N 3.12Å; E237-K239 VanDerWaalsContact C-N 3.27Å; E237-K239 PolarHBondContact O-N 2.86Å; K239-R242 PolarHBondContact O-N 2.96Å; K239-Q243 PolarHBondContact O-N 3.19Å |
| 240 | K | 85.7 | Confident | 80 | Confident | 120 Ų | 120 | 115.1 Ų | 115.1 | 52% | 0.522 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.3 | -47 | 176.3 | -72.2 | 177.3 | -176.6 | 162.2 | 0 | 111.8 | E236 E237 R242 Q243 E244 | E236-K240 PolarHBondContact O-N 3.08Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.03Å; E236-K240 IonicContact OE1-NZ 2.76Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å; E237-K240 PolarHBondContact O-N 3.3Å; K240-R242 VanDerWaalsContact C-N 3.33Å; K240-R242 PolarHBondContact O-N 2.02Å; K240-Q243 PolarHBondContact O-N 3.23Å; K240-E244 PolarHBondContact O-N 3.47Å |
| 241 | L | 84.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 115 Ų | 115 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.7 | -38.8 | 176.8 | -69.8 | 173.8 | 0 | 0 | 0 | 112.9 | E237 N245 | E237-L241 PolarHBondContact O-N 3.06Å; L241-N245 WeakPolarHBondContact O-CB 2.97Å; L241-N245 PolarHBondContact O-N 3.07Å |
| 242 | R | 80.9 | Confident | 77.1 | Confident | 208 Ų | 208 | 115 Ų | 115 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.1 | -40.1 | 175.9 | -78.8 | -178.6 | 176.1 | -127.4 | 0.2 | 112.5 | R238 K239 K240 G246 | R238-R242 WeakPolarHBondContact O-CG 3.37Å; R238-R242 PolarHBondContact O-N 2.99Å; K239-R242 PolarHBondContact O-N 2.96Å; K240-R242 VanDerWaalsContact C-N 3.33Å; K240-R242 PolarHBondContact O-N 2.02Å; R242-G246 PolarHBondContact O-N 3.06Å; R242-G246 VanDerWaalsContact O-N 3.08Å |
| 243 | Q | 84.7 | Confident | 76.7 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.4 | -43.4 | 178.1 | -176 | 177.4 | -8.7 | 0 | 0 | 111.5 | K239 K240 G246 N247 | K239-Q243 PolarHBondContact O-N 3.19Å; K240-Q243 PolarHBondContact O-N 3.23Å; Q243-G246 PolarHBondContact O-N 3.34Å; Q243-N247 PolarHBondContact O-N 3.31Å |
| 244 | E | 80.9 | Confident | 76.3 | Confident | 128 Ų | 128 | 119.2 Ų | 119.2 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61 | -48.3 | 176.3 | -172.8 | 179 | 167 | 0 | 0 | 111.5 | K240 G246 N247 V248 | K240-E244 PolarHBondContact O-N 3.47Å; E244-G246 VanDerWaalsContact C-N 3.3Å; E244-G246 PolarHBondContact O-N 3.27Å; E244-N247 PolarHBondContact O-N 2.04Å; E244-N247 VanDerWaalsContact O-N 3.14Å; E244-V248 WeakPolarHBondContact O-CG2 3.1Å; E244-V248 PolarHBondContact O-N 3.44Å |
| 245 | N | 77.7 | Confident | 75.8 | Confident | 105 Ų | 105 | 119.9 Ų | 119.9 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65 | -32.4 | 179.6 | -161.4 | 42.6 | 0 | 0 | 0 | 113 | L241 H249 | L241-N245 WeakPolarHBondContact O-CB 2.97Å; L241-N245 PolarHBondContact O-N 3.07Å; N245-H249 PolarHBondContact O-N 3Å |
| 246 | G | 76.5 | Confident | 75.5 | Confident | 42 Ų | 42 | 124.8 Ų | 124.8 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.3 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R242 Q243 E244 A250 | R242-G246 PolarHBondContact O-N 3.06Å; R242-G246 VanDerWaalsContact O-N 3.08Å; Q243-G246 PolarHBondContact O-N 3.34Å; E244-G246 VanDerWaalsContact C-N 3.3Å; E244-G246 PolarHBondContact O-N 3.27Å; G246-A250 PolarHBondContact O-N 2.82Å |
| 247 | N | 69.7 | Low | 74.9 | Confident | 94 Ų | 94 | 125.9 Ų | 125.9 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.6 | -36 | 177.1 | -77.5 | 0.3 | 0 | 0 | 0 | 112.6 | Q243 E244 H249 A250 I251 | Q243-N247 PolarHBondContact O-N 3.31Å; E244-N247 PolarHBondContact O-N 2.04Å; E244-N247 VanDerWaalsContact O-N 3.14Å; N247-H249 VanDerWaalsContact C-N 3.29Å; N247-H249 PolarHBondContact O-N 3.13Å; N247-A250 PolarHBondContact O-N 2.89Å; N247-A250 VanDerWaalsContact O-N 3.16Å; N247-I251 WeakPolarHBondContact O-CD1 3.49Å; N247-I251 WeakPolarHBondContact O-CG1 3.4Å |
| 248 | V | 71.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 125.5 Ų | 125.5 | 56% | 0.558 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.7 | -38.2 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | E244 A250 | E244-V248 WeakPolarHBondContact O-CG2 3.1Å; E244-V248 PolarHBondContact O-N 3.44Å; V248-A250 VanDerWaalsContact C-N 3.29Å; V248-A250 PolarHBondContact O-N 2.81Å |
| 249 | H | 63.8 | Low | 73.7 | Confident | 150 Ų | 150 | 121.9 Ų | 121.9 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -15.6 | 176.8 | -97.6 | -61.7 | 0 | 0 | 0 | 114.8 | N245 N247 | N245-H249 PolarHBondContact O-N 3Å; N247-H249 VanDerWaalsContact C-N 3.29Å; N247-H249 PolarHBondContact O-N 3.13Å |
| 250 | A | 60.4 | Low | 72.8 | Confident | 79 Ų | 79 | 119.8 Ų | 119.8 | 65% | 0.653 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -8.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G246 N247 V248 | G246-A250 PolarHBondContact O-N 2.82Å; N247-A250 PolarHBondContact O-N 2.89Å; N247-A250 VanDerWaalsContact O-N 3.16Å; V248-A250 VanDerWaalsContact C-N 3.29Å; V248-A250 PolarHBondContact O-N 2.81Å |
| 251 | I | 59.5 | Low | 71.7 | Confident | 151 Ų | 151 | 119.8 Ų | 119.8 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | trans | -107.5 | -6 | -174.3 | -61 | 168.8 | 0 | 0 | 0 | 112.1 | N247 | N247-I251 WeakPolarHBondContact O-CD1 3.49Å; N247-I251 WeakPolarHBondContact O-CG1 3.4Å | ||
| 252 | A | 51.2 | Low | 70.6 | Confident | 145 Ų | 145 | 120.5 Ų | 120.5 | 100% | 1.198 | 67% | 0.67 | S | S | * | * | trans | -97.3 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 252 of 252 residues in 53.5 ms
(Link to these results)