| 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 | 51 | Low | 71.9 | Confident | 238 Ų | 238 | 123.3 Ų | 123.3 | 100% | 1.172 | 66% | 0.657 | S | S | * | * | 0 | 49.2 | 0 | -64.3 | 167.6 | 169.5 | 0 | 0 | 110.5 | |||||
| 2 | G | 59.1 | Low | 72.9 | Confident | 57 Ų | 57 | 120.6 Ų | 120.6 | 59% | 0.588 | 65% | 0.648 | S | S | * | * | trans | -104 | -19.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | T | 62.7 | Low | 73.6 | Confident | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -12.3 | -171.6 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | P7 | T3-P7 WeakPolarHBondContact O-CD 3.29Š|
| 4 | R | 68.2 | Low | 74.2 | Confident | 215 Ų | 215 | 116.9 Ų | 116.9 | 81% | 0.811 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -22 | 179.7 | -58.6 | -170.9 | -170.5 | -170.3 | 3 | 113.5 | P7 | R4-P7 WeakPolarHBondContact O-CD 3.43Å; R4-P7 WeakPolarHBondContact O-CG 3.46Å |
| 5 | L | 70.9 | Confident | 74.6 | Confident | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.7 | -31.8 | 179 | -67.8 | 174 | 0 | 0 | 0 | 111.9 | A8 L9 | L5-A8 PolarHBondContact O-N 2.77Å; L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 2.82Å |
| 6 | L | 77.5 | Confident | 74.8 | Confident | 126 Ų | 126 | 114.5 Ų | 114.5 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.4 | -50.4 | -179.4 | -156.9 | 154.4 | 0 | 0 | 0 | 112.9 | A8 L9 F10 | L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.73Å; L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.11Å |
| 7 | P | 75.4 | Confident | 74.7 | Confident | 68 Ų | 68 | 109.6 Ų | 109.6 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -33.6 | 176.8 | 26.4 | -34.9 | 0 | 0 | 0 | 112.8 | T3 R4 F10 L11 | T3-P7 WeakPolarHBondContact O-CD 3.29Å; R4-P7 WeakPolarHBondContact O-CD 3.43Å; R4-P7 WeakPolarHBondContact O-CG 3.46Å; P7-F10 PolarHBondContact O-N 2.97Å; P7-L11 WeakPolarHBondContact O-CB 3.35Å; P7-L11 VanDerWaalsContact O-CG 3.28Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 2.85Å |
| 8 | A | 80.1 | Confident | 74.3 | Confident | 48 Ų | 48 | 111.1 Ų | 111.1 | 40% | 0.397 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.5 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L5 L6 L11 V12 | L5-A8 PolarHBondContact O-N 2.77Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 2.82Å; A8-L11 PolarHBondContact O-N 3.23Å; A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 3.48Å |
| 9 | L | 81.3 | Confident | 73.7 | Confident | 111 Ų | 111 | 112.4 Ų | 112.4 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.2 | -39.4 | 177 | -164.2 | 141.8 | 0 | 0 | 0 | 110.8 | L5 L6 V12 L13 | L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.73Å; L9-V12 PolarHBondContact O-N 2.73Å; L9-L13 HydrophobicContact CD2-CD1 3.46Å; L9-L13 VanDerWaalsContact CD2-CD1 3.46Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 PolarHBondContact O-N 2.9Å |
| 10 | F | 81.1 | Confident | 72.9 | Confident | 134 Ų | 134 | 111 Ų | 111 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.2 | -44.5 | 172.5 | -155.5 | -98.4 | 0 | 0 | 0 | 111.4 | L6 P7 V12 L13 L14 | L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.11Å; P7-F10 PolarHBondContact O-N 2.97Å; F10-V12 PolarHBondContact O-N 2.97Å; F10-L13 PolarHBondContact O-N 3.42Å; F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 VanDerWaalsContact O-CB 3.26Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.21Å |
| 11 | L | 83.8 | Confident | 72.2 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.6 | -41.9 | 174.9 | -77.4 | 169.4 | 0 | 0 | 0 | 112.3 | P7 A8 L14 V15 | P7-L11 WeakPolarHBondContact O-CB 3.35Å; P7-L11 VanDerWaalsContact O-CG 3.28Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 2.85Å; A8-L11 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.41Å |
| 12 | V | 83.5 | Confident | 72.3 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -45.2 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.2 | A8 L9 F10 L14 V15 L16 | A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 3.48Å; L9-V12 PolarHBondContact O-N 2.73Å; F10-V12 PolarHBondContact O-N 2.97Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.9Å; V12-V15 PolarHBondContact O-N 3.34Å; V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 PolarHBondContact O-N 3.05Å |
| 13 | L | 82.8 | Confident | 72.1 | Confident | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -38.3 | 174.6 | -97.8 | 107.2 | 0 | 0 | 0 | 112.2 | L9 F10 L16 G17 | L9-L13 HydrophobicContact CD2-CD1 3.46Å; L9-L13 VanDerWaalsContact CD2-CD1 3.46Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 PolarHBondContact O-N 2.9Å; F10-L13 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 2.77Å; L13-G17 PolarHBondContact O-N 3.46Å |
| 14 | L | 81.7 | Confident | 71.3 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 40% | 0.403 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.2 | -41.2 | -178.7 | -148.7 | 153.2 | 0 | 0 | 0 | 110.6 | F10 L11 V12 G17 F18 | F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 VanDerWaalsContact O-CB 3.26Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.21Å; L11-L14 PolarHBondContact O-N 2.94Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.9Å; L14-G17 PolarHBondContact O-N 3.15Å; L14-F18 HydrophobicContact CD2-CD2 3.54Å; L14-F18 HydrophobicContact CD2-CE2 3.6Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.23Å |
| 15 | V | 79.7 | Confident | 70.1 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.7 | -45.8 | 173.2 | 172.6 | 0 | 0 | 0 | 0 | 111 | L11 V12 G17 F18 E19 | L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.41Å; V12-V15 PolarHBondContact O-N 3.34Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.36Å; V15-F18 PolarHBondContact O-N 2.92Å; V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 2.85Å |
| 16 | L | 77.9 | Confident | 69 | Low | 106 Ų | 106 | 104 Ų | 104 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.5 | -44.9 | 175.7 | -114.4 | 90.9 | 0 | 0 | 0 | 111.6 | V12 L13 F18 E19 V20 | V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 2.77Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.35Å; L16-E19 PolarHBondContact O-N 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 3.5Å |
| 17 | G | 73.2 | Confident | 67.4 | Low | 32 Ų | 32 | 107 Ų | 107 | 33% | 0.33 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 L14 V15 V20 Q21 | L13-G17 PolarHBondContact O-N 3.46Å; L14-G17 PolarHBondContact O-N 3.15Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.36Å; G17-V20 PolarHBondContact O-N 2.84Å; G17-Q21 WeakPolarHBondContact O-CB 3.34Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.77Å |
| 18 | F | 66.9 | Low | 65.5 | Low | 136 Ų | 136 | 112.5 Ų | 112.5 | 60% | 0.596 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.2 | -32.9 | 173.5 | -100.9 | -93.2 | 0 | 0 | 0 | 113.1 | L14 V15 L16 Q21 G22 | L14-F18 HydrophobicContact CD2-CD2 3.54Å; L14-F18 HydrophobicContact CD2-CE2 3.6Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.23Å; V15-F18 PolarHBondContact O-N 2.92Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.35Å; F18-Q21 PolarHBondContact O-N 2.89Å; F18-G22 VanDerWaalsContact O-CA 3.32Å; F18-G22 WeakPolarHBondContact O-CA 3.28Å; F18-G22 PolarHBondContact O-N 2.9Å |
| 19 | E | 63.3 | Low | 63.7 | Low | 136 Ų | 136 | 118 Ų | 118 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69 | -39.2 | 175 | -159.4 | 176.8 | 153.3 | 0 | 0 | 110.7 | V15 L16 T23 | V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 2.85Å; L16-E19 PolarHBondContact O-N 3.47Å; E19-T23 PolarHBondContact O-N 2.69Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 3.39Å |
| 20 | V | 58.9 | Low | 62.1 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 173.2 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L16 G17 T23 Q24 | L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 3.5Å; G17-V20 PolarHBondContact O-N 2.84Å; V20-T23 PolarHBondContact O-OG1 3.13Å; V20-T23 VanDerWaalsContact O-OG1 3.05Å; V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 3.43Å; V20-Q24 PolarHBondContact O-OE1 2.95Å |
| 21 | Q | 56.4 | Low | 60.4 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79 | -31.2 | 178.4 | -71.5 | -162.2 | -48.2 | 0 | 0 | 113.5 | G17 F18 T23 Q24 | G17-Q21 WeakPolarHBondContact O-CB 3.34Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.77Å; F18-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å; Q21-Q24 CarbonylContact O-C 3.25Å; Q21-Q24 VanDerWaalsContact O-C 3.22Å; Q21-Q24 VanDerWaalsContact O-CA 3.29Å; Q21-Q24 WeakPolarHBondContact O-CA 3.27Å; Q21-Q24 WeakPolarHBondContact O-CB 3.34Å; Q21-Q24 PolarHBondContact O-N 2.82Å |
| 22 | G | 53.9 | Low | 58.9 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.8 | -26.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F18 | F18-G22 VanDerWaalsContact O-CA 3.32Å; F18-G22 WeakPolarHBondContact O-CA 3.28Å; F18-G22 PolarHBondContact O-N 2.9Å |
| 23 | T | 55.9 | Low | 57.7 | Low | 113 Ų | 113 | 119 Ų | 119 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.2 | -20.3 | 166.1 | 41.2 | 0 | 0 | 0 | 0 | 112.8 | E19 V20 Q21 Q25 | E19-T23 PolarHBondContact O-N 2.69Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 3.39Å; V20-T23 PolarHBondContact O-OG1 3.13Å; V20-T23 VanDerWaalsContact O-OG1 3.05Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å; T23-Q25 PolarHBondContact O-N 2.73Å; T23-Q25 VanDerWaalsContact O-N 3.11Å |
| 24 | Q | 45.4 | Very low | 56.8 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | trans | -84 | 53.2 | 167.1 | -64.4 | 179.1 | -82 | 0 | 0 | 111.4 | V20 Q21 | V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 3.43Å; V20-Q24 PolarHBondContact O-OE1 2.95Å; Q21-Q24 CarbonylContact O-C 3.25Å; Q21-Q24 VanDerWaalsContact O-C 3.22Å; Q21-Q24 VanDerWaalsContact O-CA 3.29Å; Q21-Q24 WeakPolarHBondContact O-CA 3.27Å; Q21-Q24 WeakPolarHBondContact O-CB 3.34Å; Q21-Q24 PolarHBondContact O-N 2.82Å | ||
| 25 | Q | 43.6 | Very low | 56.2 | Low | 169 Ų | 169 | 119.8 Ų | 119.8 | 79% | 0.79 | 65% | 0.651 | S | S | * | * | trans | -55.1 | 132.6 | 156.2 | -169.6 | 166.7 | -54.2 | 0 | 0 | 107.4 | T23 Q27 | T23-Q25 PolarHBondContact O-N 2.73Å; T23-Q25 VanDerWaalsContact O-N 3.11Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.34Å | ||
| 26 | P | 46.6 | Very low | 55.9 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 76% | 0.76 | 65% | 0.65 | S | S | * | * | trans | -77.5 | 80.2 | -161.9 | 31.7 | -35 | 0 | 0 | 0 | 110.7 | ||||
| 27 | Q | 44.1 | Very low | 55.8 | Low | 191 Ų | 191 | 121.2 Ų | 121.2 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | trans | -89.4 | 91.3 | 150.6 | -95.3 | -179.6 | -33.7 | 0 | 0 | 106.9 | Q25 | Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.34Å | ||
| 28 | Q | 35.4 | Very low | 56 | Low | 182 Ų | 182 | 123 Ų | 123 | 85% | 0.85 | 65% | 0.654 | S | S | * | * | trans | -51.8 | 141.4 | 155.3 | -67.8 | -179.8 | -83.7 | 0 | 0 | 108.7 | ||||
| 29 | D | 43.4 | Very low | 56.6 | Low | 163 Ų | 163 | 122.4 Ų | 122.4 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | 101.2 | 25.3 | 150.5 | -128.1 | 14.6 | 0 | 0 | 0 | 121 | ||||
| 30 | E | 46 | Very low | 57.3 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | trans | -134.6 | 105.7 | 153.9 | -145.9 | 151.5 | 90 | 0 | 0 | 110.1 | ||||
| 31 | M | 46.6 | Very low | 58.3 | Low | 167 Ų | 167 | 122.2 Ų | 122.2 | 82% | 0.823 | 65% | 0.648 | S | S | * | * | trans | -32.4 | 126.2 | 168.9 | 176.2 | 172.6 | -98.5 | 0 | 0 | 109.6 | S33 | M31-S33 WeakPolarHBondContact O-CA 3.32Å; M31-S33 PolarHBondContact O-N 3.34Å | ||
| 32 | P | 52.8 | Low | 59.5 | Low | 91 Ų | 91 | 122.2 Ų | 122.2 | 59% | 0.591 | 65% | 0.648 | S | S | * | * | trans | -52.5 | 102.4 | -169.3 | 20.1 | -32.4 | 0 | 0 | 0 | 108.8 | ||||
| 33 | S | 58 | Low | 60.9 | Low | 47 Ų | 47 | 121.9 Ų | 121.9 | 33% | 0.329 | 64% | 0.636 | S | S | . | * | trans | -59.4 | 137.8 | -170.4 | -35.5 | 0 | 0 | 0 | 0 | 106.5 | M31 T35 F36 | M31-S33 WeakPolarHBondContact O-CA 3.32Å; M31-S33 PolarHBondContact O-N 3.34Å; S33-T35 PolarHBondContact O-N 3.49Å; S33-F36 PolarHBondContact O-N 2.86Å | ||
| 34 | P | 62.6 | Low | 62.2 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 66% | 0.656 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -51.4 | -22.4 | -176.9 | 18.4 | -31.9 | 0 | 0 | 0 | 113.1 | T38 | P34-T38 WeakPolarHBondContact O-CB 3.28Å; P34-T38 PolarHBondContact O-N 2.83Å; P34-T38 PolarHBondContact O-OG1 2.81Å |
| 35 | T | 70.7 | Confident | 63.9 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 64% | 0.638 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.1 | -46.9 | 170.2 | -39.4 | 0 | 0 | 0 | 0 | 113.8 | S33 T38 Q39 | S33-T35 PolarHBondContact O-N 3.49Å; T35-T38 PolarHBondContact O-N 3.46Å; T35-Q39 PolarHBondContact O-N 3.45Å |
| 36 | F | 72 | Confident | 65.8 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.6 | -42.8 | -178.6 | -173.7 | -99.3 | 0 | 0 | 0 | 111.3 | S33 T38 Q39 V40 | S33-F36 PolarHBondContact O-N 2.86Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 2.96Å; F36-Q39 PolarHBondContact O-N 2.9Å; F36-V40 HydrophobicContact CD1-CG2 4Å; F36-V40 HydrophobicContact CE1-CG2 3.63Å; F36-V40 HydrophobicContact CZ-CG2 3.92Å; F36-V40 WeakPolarHBondContact O-CG2 3.37Å; F36-V40 PolarHBondContact O-N 3.38Å |
| 37 | L | 75.9 | Confident | 67.5 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -38.2 | 175.6 | -66.7 | 178.9 | 0 | 0 | 0 | 111.8 | K41 | L37-K41 VanDerWaalsContact O-CB 3.26Å; L37-K41 WeakPolarHBondContact O-CB 3.42Å; L37-K41 PolarHBondContact O-N 3.49Å |
| 38 | T | 77 | Confident | 69.4 | Low | 69 Ų | 69 | 115.9 Ų | 115.9 | 42% | 0.423 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 173.8 | -57 | 0 | 0 | 0 | 0 | 111 | P34 T35 F36 V40 K41 E42 | P34-T38 WeakPolarHBondContact O-CB 3.28Å; P34-T38 PolarHBondContact O-N 2.83Å; P34-T38 PolarHBondContact O-OG1 2.81Å; T35-T38 PolarHBondContact O-N 3.46Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 2.96Å; T38-V40 PolarHBondContact O-N 3.28Å; T38-K41 PolarHBondContact O-N 3.46Å; T38-E42 HydrophobicContact CG2-CG 4.5Å; T38-E42 WeakPolarHBondContact O-CB 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 2.86Å |
| 39 | Q | 79.5 | Confident | 71.8 | Confident | 124 Ų | 124 | 111.2 Ų | 111.2 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.5 | -43.8 | 178.2 | -173.8 | 177.9 | 16.9 | 0 | 0 | 112.4 | T35 F36 K41 E42 S43 | T35-Q39 PolarHBondContact O-N 3.45Å; F36-Q39 PolarHBondContact O-N 2.9Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; Q39-E42 PolarHBondContact O-N 2.74Å; Q39-S43 WeakPolarHBondContact O-CB 3.26Å; Q39-S43 PolarHBondContact O-N 3.48Å |
| 40 | V | 79 | Confident | 73.7 | Confident | 56 Ų | 56 | 107.1 Ų | 107.1 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -43.5 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | F36 T38 S43 L44 | F36-V40 HydrophobicContact CD1-CG2 4Å; F36-V40 HydrophobicContact CE1-CG2 3.63Å; F36-V40 HydrophobicContact CZ-CG2 3.92Å; F36-V40 WeakPolarHBondContact O-CG2 3.37Å; F36-V40 PolarHBondContact O-N 3.38Å; T38-V40 PolarHBondContact O-N 3.28Å; V40-S43 PolarHBondContact O-N 3.39Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 WeakPolarHBondContact O-CB 3.27Å; V40-L44 VanDerWaalsContact O-CD1 3.28Å; V40-L44 WeakPolarHBondContact O-CD1 3.47Å; V40-L44 PolarHBondContact O-N 2.87Å |
| 41 | K | 78.9 | Confident | 75.4 | Confident | 160 Ų | 160 | 101.8 Ų | 101.8 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 177.5 | -176.9 | -178.4 | 173.2 | -180 | 0 | 112.2 | L37 T38 Q39 L44 S45 | L37-K41 VanDerWaalsContact O-CB 3.26Å; L37-K41 WeakPolarHBondContact O-CB 3.42Å; L37-K41 PolarHBondContact O-N 3.49Å; T38-K41 PolarHBondContact O-N 3.46Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; K41-L44 PolarHBondContact O-N 3.38Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 3.46Å |
| 42 | E | 81.7 | Confident | 77 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 176.1 | -76.7 | 178.2 | -179 | 0 | 0 | 111.3 | T38 Q39 S45 S46 | T38-E42 HydrophobicContact CG2-CG 4.5Å; T38-E42 WeakPolarHBondContact O-CB 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 2.86Å; Q39-E42 PolarHBondContact O-N 2.74Å; E42-S45 PolarHBondContact O-N 2.84Å; E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.83Å; E42-S46 PolarHBondContact O-OG 2.84Å |
| 43 | S | 83.8 | Confident | 78.5 | Confident | 50 Ų | 50 | 98.5 Ų | 98.5 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -54 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | Q39 V40 S45 S46 Y47 | Q39-S43 WeakPolarHBondContact O-CB 3.26Å; Q39-S43 PolarHBondContact O-N 3.48Å; V40-S43 PolarHBondContact O-N 3.39Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 2.9Å; S43-S46 PolarHBondContact O-N 3.49Å; S43-S46 VanDerWaalsContact O-N 3.13Å; S43-S46 PolarHBondContact O-OG 2.95Å; S43-Y47 WeakPolarHBondContact O-CD2 3.26Å; S43-Y47 PolarHBondContact O-N 3.3Å |
| 44 | L | 83.4 | Confident | 79.7 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 178 | -94.4 | 69.3 | 0 | 0 | 0 | 112.1 | V40 K41 Y47 W48 | V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 WeakPolarHBondContact O-CB 3.27Å; V40-L44 VanDerWaalsContact O-CD1 3.28Å; V40-L44 WeakPolarHBondContact O-CD1 3.47Å; V40-L44 PolarHBondContact O-N 2.87Å; K41-L44 PolarHBondContact O-N 3.38Å; L44-Y47 PolarHBondContact O-N 3.45Å; L44-W48 VanDerWaalsContact O-CB 3.27Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.44Å |
| 45 | S | 81.8 | Confident | 80.3 | Confident | 66 Ų | 66 | 97.3 Ų | 97.3 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | K41 E42 S43 W48 E49 | K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 3.46Å; E42-S45 PolarHBondContact O-N 2.84Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 2.9Å; S45-W48 PolarHBondContact O-N 2.82Å; S45-E49 WeakPolarHBondContact O-CB 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.37Å |
| 46 | S | 83.2 | Confident | 80.6 | Confident | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 178.5 | 75.2 | 0 | 0 | 0 | 0 | 112 | E42 S43 S50 | E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.83Å; E42-S46 PolarHBondContact O-OG 2.84Å; S43-S46 PolarHBondContact O-N 3.49Å; S43-S46 VanDerWaalsContact O-N 3.13Å; S43-S46 PolarHBondContact O-OG 2.95Å; S46-S50 VanDerWaalsContact O-CB 3.3Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 3.35Å; S46-S50 PolarHBondContact O-OG 3.29Å |
| 47 | Y | 82.6 | Confident | 80.9 | Confident | 169 Ų | 169 | 95.7 Ų | 95.7 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 173.6 | -92.2 | -76.6 | 0 | 0 | 0 | 111.3 | S43 L44 S50 A51 | S43-Y47 WeakPolarHBondContact O-CD2 3.26Å; S43-Y47 PolarHBondContact O-N 3.3Å; L44-Y47 PolarHBondContact O-N 3.45Å; Y47-S50 PolarHBondContact O-N 2.84Å; Y47-A51 VanDerWaalsContact O-CB 3.26Å; Y47-A51 WeakPolarHBondContact O-CB 3.28Å; Y47-A51 PolarHBondContact O-N 2.98Å |
| 48 | W | 82.5 | Confident | 80.8 | Confident | 183 Ų | 183 | 96 Ų | 96 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 176.7 | -176.9 | -98.7 | 0 | 0 | 0 | 111.8 | L44 S45 S50 A51 K52 | L44-W48 VanDerWaalsContact O-CB 3.27Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.44Å; S45-W48 PolarHBondContact O-N 2.82Å; W48-S50 PolarHBondContact O-N 3.46Å; W48-A51 PolarHBondContact O-N 2.88Å; W48-K52 WeakPolarHBondContact O-CB 3.2Å; W48-K52 PolarHBondContact O-N 3.31Å |
| 49 | E | 85.8 | Confident | 80.2 | Confident | 85 Ų | 85 | 96.6 Ų | 96.6 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 176.8 | -73.6 | -57.9 | 133.8 | 0 | 0 | 112.1 | S45 K52 T53 | S45-E49 WeakPolarHBondContact O-CB 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.37Å; E49-K52 PolarHBondContact O-N 3.28Å; E49-K52 IonicContact OE1-NZ 3.95Å; E49-K52 IonicContact OE2-NZ 3.99Å; E49-T53 VanDerWaalsContact O-CB 3.28Å; E49-T53 WeakPolarHBondContact O-CB 3.07Å; E49-T53 PolarHBondContact O-N 2.99Å; E49-T53 PolarHBondContact O-OG1 2.82Å |
| 50 | S | 85 | Confident | 79.8 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 175 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | S46 Y47 W48 T53 A54 | S46-S50 VanDerWaalsContact O-CB 3.3Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 3.35Å; S46-S50 PolarHBondContact O-OG 3.29Å; Y47-S50 PolarHBondContact O-N 2.84Å; W48-S50 PolarHBondContact O-N 3.46Å; S50-T53 PolarHBondContact O-N 3.49Å; S50-A54 WeakPolarHBondContact O-CB 3.37Å; S50-A54 PolarHBondContact O-N 3.13Å |
| 51 | A | 80.8 | Confident | 79.1 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y47 W48 A54 A55 | Y47-A51 VanDerWaalsContact O-CB 3.26Å; Y47-A51 WeakPolarHBondContact O-CB 3.28Å; Y47-A51 PolarHBondContact O-N 2.98Å; W48-A51 PolarHBondContact O-N 2.88Å; A51-A54 PolarHBondContact O-N 3.37Å; A51-A55 VanDerWaalsContact O-CB 3.27Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.36Å |
| 52 | K | 80.2 | Confident | 78.3 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.1 | -179.3 | -176 | 171.1 | -163.2 | 0 | 111.4 | W48 E49 A55 Q56 | W48-K52 WeakPolarHBondContact O-CB 3.2Å; W48-K52 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 3.28Å; E49-K52 IonicContact OE1-NZ 3.95Å; E49-K52 IonicContact OE2-NZ 3.99Å; K52-A55 PolarHBondContact O-N 2.89Å; K52-Q56 VanDerWaalsContact O-CB 3.28Å; K52-Q56 WeakPolarHBondContact O-CB 3.35Å; K52-Q56 PolarHBondContact O-N 2.8Å |
| 53 | T | 84.1 | Confident | 77 | Confident | 83 Ų | 83 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | E49 S50 Q56 N57 | E49-T53 VanDerWaalsContact O-CB 3.28Å; E49-T53 WeakPolarHBondContact O-CB 3.07Å; E49-T53 PolarHBondContact O-N 2.99Å; E49-T53 PolarHBondContact O-OG1 2.82Å; S50-T53 PolarHBondContact O-N 3.49Å; T53-Q56 PolarHBondContact O-N 2.84Å; T53-N57 VanDerWaalsContact O-CB 3.26Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 2.8Å |
| 54 | A | 82.8 | Confident | 75.7 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S50 A51 N57 L58 | S50-A54 WeakPolarHBondContact O-CB 3.37Å; S50-A54 PolarHBondContact O-N 3.13Å; A51-A54 PolarHBondContact O-N 3.37Å; A54-N57 PolarHBondContact O-N 3.39Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 2.92Å; A54-L58 PolarHBondContact O-N 3.46Å |
| 55 | A | 76.3 | Confident | 74.6 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A51 K52 L58 Y59 | A51-A55 VanDerWaalsContact O-CB 3.27Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.36Å; K52-A55 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 2.88Å; A55-Y59 WeakPolarHBondContact O-CB 3.38Å; A55-Y59 PolarHBondContact O-N 2.85Å |
| 56 | Q | 76.5 | Confident | 73.7 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 176.4 | -175.7 | 173.7 | -5.5 | 0 | 0 | 111.2 | K52 T53 L58 Y59 E60 | K52-Q56 VanDerWaalsContact O-CB 3.28Å; K52-Q56 WeakPolarHBondContact O-CB 3.35Å; K52-Q56 PolarHBondContact O-N 2.8Å; T53-Q56 PolarHBondContact O-N 2.84Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 2.81Å; Q56-Y59 PolarHBondContact O-N 3.34Å; Q56-Y59 VanDerWaalsContact O-N 3.13Å; Q56-E60 HydrophobicContact CG-CG 4.41Å; Q56-E60 PolarHBondContact NE2-OE1 2.96Å; Q56-E60 WeakPolarHBondContact O-CB 3.26Å; Q56-E60 WeakPolarHBondContact O-CG 3.43Å; Q56-E60 PolarHBondContact O-N 2.84Å |
| 57 | N | 78.9 | Confident | 72.8 | Confident | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 174.8 | -169.5 | -75.6 | 0 | 0 | 0 | 110.9 | T53 A54 K61 | T53-N57 VanDerWaalsContact O-CB 3.26Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 2.8Å; A54-N57 PolarHBondContact O-N 3.39Å; N57-K61 WeakPolarHBondContact O-CB 3.44Å; N57-K61 PolarHBondContact O-N 3.22Å |
| 58 | L | 72.3 | Confident | 72 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -39.9 | 175.9 | -167 | 129.5 | 0 | 0 | 0 | 111.6 | A54 A55 Q56 T62 | A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 2.92Å; A54-L58 PolarHBondContact O-N 3.46Å; A55-L58 PolarHBondContact O-N 2.88Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 2.81Å; L58-T62 VanDerWaalsContact O-CA 3.26Å; L58-T62 WeakPolarHBondContact O-CA 3.45Å; L58-T62 WeakPolarHBondContact O-CB 3.45Å; L58-T62 PolarHBondContact O-N 2.77Å; L58-T62 PolarHBondContact O-OG1 2.67Å |
| 59 | Y | 65.7 | Low | 71.3 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 176.3 | -174.5 | -102.7 | 0 | 0 | 0 | 112.2 | A55 Q56 T62 Y63 V67 D68 | A55-Y59 WeakPolarHBondContact O-CB 3.38Å; A55-Y59 PolarHBondContact O-N 2.85Å; Q56-Y59 PolarHBondContact O-N 3.34Å; Q56-Y59 VanDerWaalsContact O-N 3.13Å; Y59-T62 CarbonylContact O-C 3.59Å; Y59-T62 VanDerWaalsContact O-C 3.25Å; Y59-Y63 HydrophobicContact CD1-CD2 4.3Å; Y59-Y63 HydrophobicContact CD1-CE2 4.35Å; Y59-Y63 AromaticContact CE1-CD2 3.94Å; Y59-Y63 HydrophobicContact CE1-CD2 3.94Å; Y59-Y63 AromaticContact CE1-CE2 3.58Å; Y59-Y63 HydrophobicContact CE1-CE2 3.58Å; Y59-Y63 AromaticContact CZ-CE2 3.85Å; Y59-Y63 WeakPolarHBondContact O-CA 3.26Å; Y59-Y63 PolarHBondContact O-N 3.4Å; Y59-V67 HydrophobicContact CD2-CG1 3.94Å; Y59-V67 HydrophobicContact CE2-CG1 3.95Å; Y59-D68 PolarHBondContact OH-OD1 3.46Å |
| 60 | E | 69.6 | Low | 70.6 | Confident | 121 Ų | 121 | 93.8 Ų | 93.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69 | -42.4 | 177.1 | -71.9 | 177.2 | -174.3 | 0 | 0 | 111.9 | Q56 | Q56-E60 HydrophobicContact CG-CG 4.41Å; Q56-E60 PolarHBondContact NE2-OE1 2.96Å; Q56-E60 WeakPolarHBondContact O-CB 3.26Å; Q56-E60 WeakPolarHBondContact O-CG 3.43Å; Q56-E60 PolarHBondContact O-N 2.84Å |
| 61 | K | 65.8 | Low | 69.8 | Low | 179 Ų | 179 | 95.2 Ų | 95.2 | 78% | 0.778 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.9 | -31.5 | 179.8 | -169.1 | 174.3 | -177.3 | 178.4 | 0 | 112.7 | N57 | N57-K61 WeakPolarHBondContact O-CB 3.44Å; N57-K61 PolarHBondContact O-N 3.22Å |
| 62 | T | 62.4 | Low | 69.2 | Low | 45 Ų | 45 | 101 Ų | 101 | 28% | 0.276 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 39.7 | 175.9 | -38.9 | 0 | 0 | 0 | 0 | 108.7 | L58 Y59 L64 V67 | L58-T62 VanDerWaalsContact O-CA 3.26Å; L58-T62 WeakPolarHBondContact O-CA 3.45Å; L58-T62 WeakPolarHBondContact O-CB 3.45Å; L58-T62 PolarHBondContact O-N 2.77Å; L58-T62 PolarHBondContact O-OG1 2.67Å; Y59-T62 CarbonylContact O-C 3.59Å; Y59-T62 VanDerWaalsContact O-C 3.25Å; T62-L64 HydrophobicContact CG2-CB 4.27Å; T62-L64 HydrophobicContact CG2-CD1 3.56Å; T62-L64 HydrophobicContact CG2-CG 4.41Å; T62-L64 PolarHBondContact O-N 2.75Å; T62-V67 HydrophobicContact CG2-CG2 4.11Å; T62-V67 WeakPolarHBondContact O-CG2 3.13Å |
| 63 | Y | 53 | Low | 69 | Low | 157 Ų | 157 | 100.7 Ų | 100.7 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | trans | -68.9 | 56.4 | 163.2 | -143.8 | -93.2 | 0 | 0 | 0 | 108.5 | Y59 | Y59-Y63 HydrophobicContact CD1-CD2 4.3Å; Y59-Y63 HydrophobicContact CD1-CE2 4.35Å; Y59-Y63 AromaticContact CE1-CD2 3.94Å; Y59-Y63 HydrophobicContact CE1-CD2 3.94Å; Y59-Y63 AromaticContact CE1-CE2 3.58Å; Y59-Y63 HydrophobicContact CE1-CE2 3.58Å; Y59-Y63 AromaticContact CZ-CE2 3.85Å; Y59-Y63 WeakPolarHBondContact O-CA 3.26Å; Y59-Y63 PolarHBondContact O-N 3.4Å | ||
| 64 | L | 56.4 | Low | 68.4 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | trans | -91.2 | 129.8 | 167.6 | -83.2 | 149.4 | 0 | 0 | 0 | 103.7 | T62 A66 V67 | T62-L64 HydrophobicContact CG2-CB 4.27Å; T62-L64 HydrophobicContact CG2-CD1 3.56Å; T62-L64 HydrophobicContact CG2-CG 4.41Å; T62-L64 PolarHBondContact O-N 2.75Å; L64-A66 HydrophobicContact CB-CB 4.24Å; L64-A66 PolarHBondContact O-N 2.78Å; L64-V67 PolarHBondContact O-N 2.93Å | ||
| 65 | P | 60.1 | Low | 67.5 | Low | 103 Ų | 103 | 107.4 Ų | 107.4 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -50.5 | -17.6 | 175.8 | 17 | -29.8 | 0 | 0 | 0 | 113.6 | V67 D68 E69 | P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.35Å; P65-D68 PolarHBondContact O-N 3.31Å; P65-E69 WeakPolarHBondContact O-CB 3.29Å; P65-E69 PolarHBondContact O-N 3.45Å |
| 66 | A | 63.4 | Low | 67.2 | Low | 49 Ų | 49 | 107.9 Ų | 107.9 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.7 | -32.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L64 K70 | L64-A66 HydrophobicContact CB-CB 4.24Å; L64-A66 PolarHBondContact O-N 2.78Å; A66-K70 WeakPolarHBondContact O-CB 3.4Å; A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 3.45Å |
| 67 | V | 64.2 | Low | 66.7 | Low | 36 Ų | 36 | 110.1 Ų | 110.1 | 22% | 0.218 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -73.8 | -45.2 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | Y59 T62 L64 P65 E69 K70 L71 | Y59-V67 HydrophobicContact CD2-CG1 3.94Å; Y59-V67 HydrophobicContact CE2-CG1 3.95Å; T62-V67 HydrophobicContact CG2-CG2 4.11Å; T62-V67 WeakPolarHBondContact O-CG2 3.13Å; L64-V67 PolarHBondContact O-N 2.93Å; P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.35Å; V67-E69 VanDerWaalsContact C-N 3.34Å; V67-K70 PolarHBondContact O-N 2.9Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 WeakPolarHBondContact O-CG 3.19Å; V67-L71 PolarHBondContact O-N 2.8Å |
| 68 | D | 66.2 | Low | 65.8 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.2 | -72.8 | -44.7 | 0 | 0 | 0 | 111.4 | Y59 P65 L71 R72 | Y59-D68 PolarHBondContact OH-OD1 3.46Å; P65-D68 PolarHBondContact O-N 3.31Å; D68-L71 PolarHBondContact O-N 3.38Å; D68-R72 VanDerWaalsContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 PolarHBondContact O-N 3.35Å |
| 69 | E | 67.4 | Low | 65.3 | Low | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 175.8 | -168.7 | 176.6 | -177.9 | 0 | 0 | 111.6 | P65 V67 R72 D73 | P65-E69 WeakPolarHBondContact O-CB 3.29Å; P65-E69 PolarHBondContact O-N 3.45Å; V67-E69 VanDerWaalsContact C-N 3.34Å; E69-R72 PolarHBondContact O-N 3.01Å; E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.36Å |
| 70 | K | 71.1 | Confident | 65.1 | Low | 150 Ų | 150 | 104.7 Ų | 104.7 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 174.2 | -85.6 | 177.6 | 176.2 | -74.9 | 0 | 111.9 | A66 V67 R72 D73 L74 | A66-K70 WeakPolarHBondContact O-CB 3.4Å; A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 3.45Å; V67-K70 PolarHBondContact O-N 2.9Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.49Å; K70-D73 PolarHBondContact O-N 2.86Å; K70-L74 WeakPolarHBondContact O-CB 3.23Å; K70-L74 PolarHBondContact O-N 2.82Å |
| 71 | L | 68.7 | Low | 64.5 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 177.5 | -78.2 | 172 | 0 | 0 | 0 | 110.7 | V67 D68 Y75 | V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 WeakPolarHBondContact O-CG 3.19Å; V67-L71 PolarHBondContact O-N 2.8Å; D68-L71 PolarHBondContact O-N 3.38Å; L71-Y75 WeakPolarHBondContact O-CB 3.29Å; L71-Y75 PolarHBondContact O-N 2.8Å |
| 72 | R | 68.9 | Low | 63.7 | Low | 178 Ų | 178 | 98.6 Ų | 98.6 | 67% | 0.672 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.8 | -46.8 | 176.9 | -170.1 | 170.8 | 67.5 | 140.3 | 1.4 | 112.5 | D68 E69 K70 L74 Y75 S76 | D68-R72 VanDerWaalsContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 PolarHBondContact O-N 3.35Å; E69-R72 PolarHBondContact O-N 3.01Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.49Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-Y75 PolarHBondContact O-N 3.33Å; R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 2.79Å; R72-S76 PolarHBondContact O-OG 3.48Å |
| 73 | D | 75.2 | Confident | 63.4 | Low | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.9 | -178.7 | 68.2 | 0 | 0 | 0 | 110.8 | E69 K70 Y75 S76 K77 | E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.36Å; K70-D73 PolarHBondContact O-N 2.86Å; D73-Y75 VanDerWaalsContact C-N 3.35Å; D73-Y75 PolarHBondContact O-N 3.48Å; D73-S76 PolarHBondContact O-N 2.65Å; D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 PolarHBondContact O-N 3.4Å |
| 74 | L | 70.9 | Confident | 63.7 | Low | 119 Ų | 119 | 97.8 Ų | 97.8 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.1 | -34.5 | 179.7 | -155.2 | 150.1 | 0 | 0 | 0 | 110.9 | K70 R72 S78 | K70-L74 WeakPolarHBondContact O-CB 3.23Å; K70-L74 PolarHBondContact O-N 2.82Å; R72-L74 VanDerWaalsContact C-N 3.33Å; L74-S78 WeakPolarHBondContact O-CA 3.33Å; L74-S78 WeakPolarHBondContact O-CB 3.18Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 2.82Å |
| 75 | Y | 64.6 | Low | 63.2 | Low | 166 Ų | 166 | 100.9 Ų | 100.9 | 65% | 0.651 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.6 | -42.5 | 171.3 | -170.9 | -92 | 0 | 0 | 0 | 112.5 | L71 R72 D73 S78 T79 | L71-Y75 WeakPolarHBondContact O-CB 3.29Å; L71-Y75 PolarHBondContact O-N 2.8Å; R72-Y75 PolarHBondContact O-N 3.33Å; D73-Y75 VanDerWaalsContact C-N 3.35Å; D73-Y75 PolarHBondContact O-N 3.48Å; Y75-S78 WeakPolarHBondContact CA-OG 3.36Å; Y75-S78 PolarHBondContact O-OG 2.76Å; Y75-S78 VanDerWaalsContact O-OG 3.07Å; Y75-T79 WeakPolarHBondContact O-CB 3.12Å; Y75-T79 PolarHBondContact O-N 2.74Å; Y75-T79 PolarHBondContact O-OG1 2.95Å |
| 76 | S | 69.7 | Low | 62.9 | Low | 71 Ų | 71 | 98.7 Ų | 98.7 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 175.6 | -72.3 | 0 | 0 | 0 | 0 | 111.4 | R72 D73 T79 A80 | R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 2.79Å; R72-S76 PolarHBondContact O-OG 3.48Å; D73-S76 PolarHBondContact O-N 2.65Å; S76-T79 PolarHBondContact O-N 3.37Å; S76-A80 WeakPolarHBondContact O-CB 3.02Å; S76-A80 PolarHBondContact O-N 3.28Å |
| 77 | K | 67.2 | Low | 62.5 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.2 | -38 | 178.7 | -168.5 | 172.4 | -172.3 | 172.9 | 0 | 112.1 | D73 A80 A81 | D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 PolarHBondContact O-N 3.4Å; K77-A80 PolarHBondContact O-N 2.83Å; K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 2.82Å |
| 78 | S | 58.6 | Low | 62.2 | Low | 47 Ų | 47 | 102.1 Ų | 102.1 | 33% | 0.329 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 172.2 | 71.2 | 0 | 0 | 0 | 0 | 109.9 | L74 Y75 A80 A81 M82 | L74-S78 WeakPolarHBondContact O-CA 3.33Å; L74-S78 WeakPolarHBondContact O-CB 3.18Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 2.82Å; Y75-S78 WeakPolarHBondContact CA-OG 3.36Å; Y75-S78 PolarHBondContact O-OG 2.76Å; Y75-S78 VanDerWaalsContact O-OG 3.07Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.48Å; S78-A81 PolarHBondContact O-N 3.49Å; S78-M82 VanDerWaalsContact O-CA 3.32Å; S78-M82 WeakPolarHBondContact O-CA 2.91Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 PolarHBondContact O-N 2.94Å |
| 79 | T | 62.4 | Low | 61.6 | Low | 69 Ų | 69 | 105 Ų | 105 | 42% | 0.423 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Y75 S76 S83 | Y75-T79 WeakPolarHBondContact O-CB 3.12Å; Y75-T79 PolarHBondContact O-N 2.74Å; Y75-T79 PolarHBondContact O-OG1 2.95Å; S76-T79 PolarHBondContact O-N 3.37Å; T79-S83 VanDerWaalsContact O-CB 3.28Å; T79-S83 WeakPolarHBondContact O-CB 3.22Å; T79-S83 PolarHBondContact O-N 2.78Å |
| 80 | A | 61.1 | Low | 61.1 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S76 K77 S78 S83 T84 | S76-A80 WeakPolarHBondContact O-CB 3.02Å; S76-A80 PolarHBondContact O-N 3.28Å; K77-A80 PolarHBondContact O-N 2.83Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.48Å; A80-S83 PolarHBondContact O-OG 3.15Å; A80-T84 PolarHBondContact O-N 2.88Å; A80-T84 PolarHBondContact O-OG1 3.16Å |
| 81 | A | 57.6 | Low | 60.5 | Low | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.9 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | K77 S78 T84 Y85 | K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 2.82Å; S78-A81 PolarHBondContact O-N 3.49Å; A81-T84 WeakPolarHBondContact O-CB 3.48Å; A81-T84 PolarHBondContact O-N 2.77Å; A81-Y85 WeakPolarHBondContact O-CD2 3.33Å; A81-Y85 PolarHBondContact O-N 3.43Å; A81-Y85 VanDerWaalsContact O-N 3.1Å |
| 82 | M | 49.4 | Very low | 60 | Low | 120 Ų | 120 | 101.1 Ų | 101.1 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 176 | -159.4 | 153.9 | -149.2 | 0 | 0 | 108.8 | S78 T84 Y85 T86 | S78-M82 VanDerWaalsContact O-CA 3.32Å; S78-M82 WeakPolarHBondContact O-CA 2.91Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 PolarHBondContact O-N 2.94Å; M82-T84 PolarHBondContact O-N 3.42Å; M82-Y85 CarbonylContact O-C 3.22Å; M82-Y85 WeakPolarHBondContact O-CA 3.28Å; M82-Y85 PolarHBondContact O-N 2.98Å; M82-T86 VanDerWaalsContact C-OG1 3.3Å; M82-T86 VanDerWaalsContact CG-OG1 3.22Å; M82-T86 WeakPolarHBondContact CG-OG1 3.48Å; M82-T86 WeakPolarHBondContact O-CA 2.99Å; M82-T86 WeakPolarHBondContact O-CB 3.5Å; M82-T86 PolarHBondContact O-N 3.45Å; M82-T86 PolarHBondContact O-OG1 2.82Å |
| 83 | S | 56.1 | Low | 59.5 | Low | 83 Ų | 83 | 95.8 Ų | 95.8 | 58% | 0.58 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.4 | -30.4 | 174.1 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | T79 A80 | T79-S83 VanDerWaalsContact O-CB 3.28Å; T79-S83 WeakPolarHBondContact O-CB 3.22Å; T79-S83 PolarHBondContact O-N 2.78Å; A80-S83 PolarHBondContact O-OG 3.15Å |
| 84 | T | 58.5 | Low | 58.6 | Low | 102 Ų | 102 | 95.1 Ų | 95.1 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.2 | -37.2 | 173.8 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | A80 A81 M82 | A80-T84 PolarHBondContact O-N 2.88Å; A80-T84 PolarHBondContact O-OG1 3.16Å; A81-T84 WeakPolarHBondContact O-CB 3.48Å; A81-T84 PolarHBondContact O-N 2.77Å; M82-T84 PolarHBondContact O-N 3.42Å |
| 85 | Y | 46.2 | Very low | 58.1 | Low | 169 Ų | 169 | 91.9 Ų | 91.9 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -89.5 | -22.4 | 179.9 | -84.7 | -81.8 | 0 | 0 | 0 | 114.8 | A81 M82 G87 I88 F89 | A81-Y85 WeakPolarHBondContact O-CD2 3.33Å; A81-Y85 PolarHBondContact O-N 3.43Å; A81-Y85 VanDerWaalsContact O-N 3.1Å; M82-Y85 CarbonylContact O-C 3.22Å; M82-Y85 WeakPolarHBondContact O-CA 3.28Å; M82-Y85 PolarHBondContact O-N 2.98Å; Y85-G87 VanDerWaalsContact C-N 3.29Å; Y85-G87 PolarHBondContact O-N 3.3Å; Y85-I88 PolarHBondContact O-N 2.98Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; Y85-F89 VanDerWaalsContact O-CB 3.29Å; Y85-F89 WeakPolarHBondContact O-CB 3.29Å; Y85-F89 PolarHBondContact O-N 3.32Å |
| 86 | T | 53.8 | Low | 57.9 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 34% | 0.344 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -32 | -176.7 | -62.1 | 0 | 0 | 0 | 0 | 109.8 | M82 I88 T90 | M82-T86 VanDerWaalsContact C-OG1 3.3Å; M82-T86 VanDerWaalsContact CG-OG1 3.22Å; M82-T86 WeakPolarHBondContact CG-OG1 3.48Å; M82-T86 WeakPolarHBondContact O-CA 2.99Å; M82-T86 WeakPolarHBondContact O-CB 3.5Å; M82-T86 PolarHBondContact O-N 3.45Å; M82-T86 PolarHBondContact O-OG1 2.82Å; T86-I88 VanDerWaalsContact C-N 3.31Å; T86-I88 PolarHBondContact O-N 3.25Å; T86-T90 WeakPolarHBondContact CG2-OG1 3.42Å; T86-T90 WeakPolarHBondContact O-CA 3.36Å; T86-T90 WeakPolarHBondContact O-CB 3.47Å; T86-T90 PolarHBondContact O-N 3.07Å; T86-T90 PolarHBondContact O-OG1 2.81Å |
| 87 | G | 55.5 | Low | 57.2 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.8 | -45.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y85 D91 | Y85-G87 VanDerWaalsContact C-N 3.29Å; Y85-G87 PolarHBondContact O-N 3.3Å; G87-D91 WeakPolarHBondContact O-CB 3.18Å; G87-D91 PolarHBondContact O-N 3.42Å |
| 88 | I | 57.4 | Low | 56.9 | Low | 104 Ų | 104 | 93.7 Ų | 93.7 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -84.5 | -35.5 | -177 | -49 | -178.4 | 0 | 0 | 0 | 111.4 | Y85 T86 Q92 | Y85-I88 PolarHBondContact O-N 2.98Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; T86-I88 VanDerWaalsContact C-N 3.31Å; T86-I88 PolarHBondContact O-N 3.25Å; I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.93Å; I88-Q92 PolarHBondContact O-NE2 3.48Å |
| 89 | F | 52.6 | Low | 56.6 | Low | 132 Ų | 132 | 94.1 Ų | 94.1 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.7 | -38.4 | -179.1 | -165.9 | -98.4 | 0 | 0 | 0 | 111.7 | Y85 D91 Q92 V93 | Y85-F89 VanDerWaalsContact O-CB 3.29Å; Y85-F89 WeakPolarHBondContact O-CB 3.29Å; Y85-F89 PolarHBondContact O-N 3.32Å; F89-D91 VanDerWaalsContact C-N 3.31Å; F89-Q92 PolarHBondContact O-N 2.78Å; F89-V93 HydrophobicContact CD1-CG2 3.7Å; F89-V93 HydrophobicContact CE1-CG2 3.37Å; F89-V93 HydrophobicContact CE2-CG2 4.22Å; F89-V93 HydrophobicContact CG-CG2 4.28Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 VanDerWaalsContact O-CB 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.28Å; F89-V93 VanDerWaalsContact O-CG2 3.23Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.91Å |
| 90 | T | 58 | Low | 56.2 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 110 | T86 L94 | T86-T90 WeakPolarHBondContact CG2-OG1 3.42Å; T86-T90 WeakPolarHBondContact O-CA 3.36Å; T86-T90 WeakPolarHBondContact O-CB 3.47Å; T86-T90 PolarHBondContact O-N 3.07Å; T86-T90 PolarHBondContact O-OG1 2.81Å; T90-L94 WeakPolarHBondContact O-CA 3.4Å; T90-L94 WeakPolarHBondContact O-CB 3.07Å; T90-L94 PolarHBondContact O-N 2.7Å |
| 91 | D | 59 | Low | 55.4 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -44.4 | 177.8 | -160.2 | 73.2 | 0 | 0 | 0 | 111.8 | G87 F89 L94 S95 | G87-D91 WeakPolarHBondContact O-CB 3.18Å; G87-D91 PolarHBondContact O-N 3.42Å; F89-D91 VanDerWaalsContact C-N 3.31Å; D91-L94 PolarHBondContact O-N 2.75Å; D91-S95 WeakPolarHBondContact O-CB 3.2Å; D91-S95 PolarHBondContact O-N 2.61Å |
| 92 | Q | 58.4 | Low | 55.3 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -43.5 | 175.3 | -77.1 | 178.6 | 100.4 | 0 | 0 | 112.7 | I88 F89 V96 | I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.93Å; I88-Q92 PolarHBondContact O-NE2 3.48Å; F89-Q92 PolarHBondContact O-N 2.78Å; Q92-V96 WeakPolarHBondContact O-CB 3.07Å; Q92-V96 WeakPolarHBondContact O-CG2 3.39Å; Q92-V96 PolarHBondContact O-N 2.86Å |
| 93 | V | 57.1 | Low | 55.6 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.8 | -41.3 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | F89 V96 L97 | F89-V93 HydrophobicContact CD1-CG2 3.7Å; F89-V93 HydrophobicContact CE1-CG2 3.37Å; F89-V93 HydrophobicContact CE2-CG2 4.22Å; F89-V93 HydrophobicContact CG-CG2 4.28Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 VanDerWaalsContact O-CB 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.28Å; F89-V93 VanDerWaalsContact O-CG2 3.23Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.91Å; V93-V96 PolarHBondContact O-N 3.01Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.42Å; V93-L97 PolarHBondContact O-N 3.44Å |
| 94 | L | 57.4 | Low | 55.6 | Low | 86 Ų | 86 | 111.7 Ų | 111.7 | 45% | 0.45 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.7 | -32.1 | -178.9 | -161.3 | 135.2 | 0 | 0 | 0 | 112 | T90 D91 L97 K98 | T90-L94 WeakPolarHBondContact O-CA 3.4Å; T90-L94 WeakPolarHBondContact O-CB 3.07Å; T90-L94 PolarHBondContact O-N 2.7Å; D91-L94 PolarHBondContact O-N 2.75Å; L94-L97 PolarHBondContact O-N 3.42Å; L94-K98 HydrophobicContact CD2-CD 4.09Å; L94-K98 WeakPolarHBondContact O-CB 3.2Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.74Å |
| 95 | S | 60.1 | Low | 55.4 | Low | 51 Ų | 51 | 112.3 Ų | 112.3 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -46.4 | 171.2 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | D91 L97 K98 G99 | D91-S95 WeakPolarHBondContact O-CB 3.2Å; D91-S95 PolarHBondContact O-N 2.61Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.26Å; S95-K98 CarbonylContact O-C 3.43Å; S95-K98 PolarHBondContact O-N 3.47Å; S95-K98 VanDerWaalsContact O-N 3.15Å; S95-G99 PolarHBondContact O-N 3.2Å |
| 96 | V | 59.6 | Low | 56 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.2 | -37.5 | 172.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | Q92 V93 K98 G99 | Q92-V96 WeakPolarHBondContact O-CB 3.07Å; Q92-V96 WeakPolarHBondContact O-CG2 3.39Å; Q92-V96 PolarHBondContact O-N 2.86Å; V93-V96 PolarHBondContact O-N 3.01Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-G99 PolarHBondContact O-N 2.68Å |
| 97 | L | 55.9 | Low | 56.1 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.4 | -30.7 | 176.7 | -142.8 | 88.9 | 0 | 0 | 0 | 112.7 | V93 L94 S95 G99 | V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.42Å; V93-L97 PolarHBondContact O-N 3.44Å; L94-L97 PolarHBondContact O-N 3.42Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.26Å; L97-G99 VanDerWaalsContact C-N 3.34Å |
| 98 | K | 59.7 | Low | 56.2 | Low | 148 Ų | 148 | 116.4 Ų | 116.4 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.1 | -12.7 | 175.5 | -84.4 | -173 | 173.4 | -175.2 | 0 | 113.4 | L94 S95 V96 E100 | L94-K98 HydrophobicContact CD2-CD 4.09Å; L94-K98 WeakPolarHBondContact O-CB 3.2Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.74Å; S95-K98 CarbonylContact O-C 3.43Å; S95-K98 PolarHBondContact O-N 3.47Å; S95-K98 VanDerWaalsContact O-N 3.15Å; V96-K98 VanDerWaalsContact C-N 3.34Å; K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.1Å |
| 99 | G | 53.4 | Low | 56.1 | Low | 56 Ų | 56 | 117.4 Ų | 117.4 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.7 | 38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S95 V96 L97 | S95-G99 PolarHBondContact O-N 3.2Å; V96-G99 PolarHBondContact O-N 2.68Å; L97-G99 VanDerWaalsContact C-N 3.34Å |
| 100 | E | 52.6 | Low | 56.4 | Low | 149 Ų | 149 | 116.2 Ų | 116.2 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | trans | -81.9 | 117 | 161.5 | -85.6 | 173.9 | 92 | 0 | 0 | 107.8 | K98 | K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.1Å | ||
| 101 | E | 45.1 | Very low | 56.2 | Low | 266 Ų | 266 | 120.4 Ų | 120.4 | 100% | 1.243 | 64% | 0.64 | S | S | * | * | trans | -56.3 | 0 | 179.4 | -65.4 | 174.8 | 93.7 | 0 | 0 | 114.5 |
Retrieved 101 of 101 residues in 502.4 ms
(Link to these results)