| 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 | 52.2 | Low | 77.5 | Confident | 232 Ų | 232 | 128.5 Ų | 128.5 | 100% | 1.143 | 64% | 0.64 | S | S | * | * | 0 | 1.8 | 0 | -62.1 | -147.8 | -172 | 0 | 0 | 114.9 | |||||
| 2 | S | 55.7 | Low | 78.3 | Confident | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73 | -25.4 | -177.7 | -163 | 0 | 0 | 0 | 0 | 115.2 | R4 V5 L6 | S2-R4 PolarHBondContact O-N 3.27Å; S2-V5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 2.86Å |
| 3 | S | 69.4 | Low | 79.2 | Confident | 96 Ų | 96 | 125.8 Ų | 125.8 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.5 | -36.2 | -172.5 | 172.3 | 0 | 0 | 0 | 0 | 114.6 | L7 | S3-L7 WeakPolarHBondContact O-CB 3.43Å; S3-L7 PolarHBondContact O-N 3.05Å |
| 4 | R | 70.9 | Confident | 80.1 | Confident | 218 Ų | 218 | 124.9 Ų | 124.9 | 82% | 0.823 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.4 | -33.2 | -177.6 | -162.2 | 175.5 | -176.6 | 178.5 | 0.7 | 112.7 | S2 R8 | S2-R4 PolarHBondContact O-N 3.27Å; R4-R8 PolarHBondContact O-N 2.97Å; R4-R8 VanDerWaalsContact O-N 3.15Å |
| 5 | V | 80.5 | Confident | 80.6 | Confident | 102 Ų | 102 | 125.9 Ų | 125.9 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.6 | -42.5 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | S2 R8 Q9 | S2-V5 PolarHBondContact O-N 3.19Å; V5-R8 PolarHBondContact O-N 3.25Å; V5-Q9 PolarHBondContact O-N 3.22Å |
| 6 | L | 85.8 | Confident | 81.1 | Confident | 103 Ų | 103 | 121.7 Ų | 121.7 | 54% | 0.539 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.5 | -42.5 | 174.5 | -77.2 | 168.4 | 0 | 0 | 0 | 112.1 | S2 R8 Q9 Q10 | S2-L6 PolarHBondContact O-N 2.86Å; L6-R8 PolarHBondContact O-N 3.23Å; L6-Q9 PolarHBondContact O-N 3.4Å; L6-Q10 WeakPolarHBondContact O-CB 3.31Å; L6-Q10 PolarHBondContact O-N 2.9Å |
| 7 | L | 87.4 | Confident | 81.6 | Confident | 104 Ų | 104 | 121.9 Ų | 121.9 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.9 | -40.5 | 176.9 | -175.9 | 62.5 | 0 | 0 | 0 | 112.3 | S3 Q9 Q10 L11 | S3-L7 WeakPolarHBondContact O-CB 3.43Å; S3-L7 PolarHBondContact O-N 3.05Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q10 PolarHBondContact O-N 3.1Å; L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.41Å |
| 8 | R | 83.8 | Confident | 82.1 | Confident | 175 Ų | 175 | 122.4 Ų | 122.4 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.1 | -41.7 | 174.9 | -177.1 | 178.8 | 176.1 | -84.2 | -1.1 | 111.6 | R4 V5 L6 Q10 M12 | R4-R8 PolarHBondContact O-N 2.97Å; R4-R8 VanDerWaalsContact O-N 3.15Å; V5-R8 PolarHBondContact O-N 3.25Å; L6-R8 PolarHBondContact O-N 3.23Å; R8-Q10 VanDerWaalsContact C-N 3.35Å; R8-M12 WeakPolarHBondContact O-CB 3.45Å; R8-M12 PolarHBondContact O-N 2.85Å |
| 9 | Q | 86.1 | Confident | 82.2 | Confident | 89 Ų | 89 | 122.1 Ų | 122.1 | 42% | 0.416 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.2 | -35.1 | 178.6 | -158.4 | -171.3 | 96.3 | 0 | 0 | 111.8 | V5 L6 L7 M12 R13 | V5-Q9 PolarHBondContact O-N 3.22Å; L6-Q9 PolarHBondContact O-N 3.4Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-M12 HydrophobicContact CG-CE 4.45Å; Q9-R13 WeakPolarHBondContact O-CB 3.48Å; Q9-R13 PolarHBondContact O-N 3.03Å; Q9-R13 VanDerWaalsContact O-N 3.08Å |
| 10 | Q | 90.9 | Very high | 82.6 | Confident | 111 Ų | 111 | 122.9 Ų | 122.9 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -50.5 | 173.5 | -169.9 | 76.9 | 29.8 | 0 | 0 | 111.1 | L6 L7 R8 M12 R13 E14 | L6-Q10 WeakPolarHBondContact O-CB 3.31Å; L6-Q10 PolarHBondContact O-N 2.9Å; L7-Q10 PolarHBondContact O-N 3.1Å; R8-Q10 VanDerWaalsContact C-N 3.35Å; Q10-M12 VanDerWaalsContact C-N 3.3Å; Q10-M12 PolarHBondContact O-N 3.16Å; Q10-R13 PolarHBondContact O-N 2.96Å; Q10-E14 PolarHBondContact O-N 3.23Å |
| 11 | L | 89.8 | Confident | 82.8 | Confident | 97 Ų | 97 | 125.3 Ų | 125.3 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | 179 | -77.6 | 167.8 | 0 | 0 | 0 | 112.3 | L7 R13 E14 Q15 | L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.41Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-E14 PolarHBondContact O-N 2.86Å; L11-Q15 WeakPolarHBondContact O-CB 3.45Å; L11-Q15 PolarHBondContact O-N 2.8Å |
| 12 | M | 87.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 122.4 Ų | 122.4 | 50% | 0.502 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67 | -37.5 | 178 | -164.8 | 175.2 | 63.1 | 0 | 0 | 111.8 | R8 Q9 Q10 A16 | R8-M12 WeakPolarHBondContact O-CB 3.45Å; R8-M12 PolarHBondContact O-N 2.85Å; Q9-M12 HydrophobicContact CG-CE 4.45Å; Q10-M12 VanDerWaalsContact C-N 3.3Å; Q10-M12 PolarHBondContact O-N 3.16Å; M12-A16 PolarHBondContact O-N 2.9Å |
| 13 | R | 89.8 | Confident | 85.6 | Confident | 121 Ų | 121 | 123 Ų | 123 | 46% | 0.457 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.9 | -38.7 | 174.5 | -170 | -179.3 | -71.5 | 112.9 | -0 | 111.7 | Q9 Q10 L11 Q17 | Q9-R13 WeakPolarHBondContact O-CB 3.48Å; Q9-R13 PolarHBondContact O-N 3.03Å; Q9-R13 VanDerWaalsContact O-N 3.08Å; Q10-R13 PolarHBondContact O-N 2.96Å; L11-R13 VanDerWaalsContact C-N 3.35Å; R13-Q17 PolarHBondContact O-N 3.49Å; R13-Q17 VanDerWaalsContact O-N 3.15Å |
| 14 | E | 91.3 | Very high | 86.3 | Confident | 113 Ų | 113 | 121.1 Ų | 121.1 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -44 | 177.3 | -171.8 | 173.5 | -176.5 | 0 | 0 | 111.8 | Q10 L11 A16 Q17 E18 | Q10-E14 PolarHBondContact O-N 3.23Å; L11-E14 PolarHBondContact O-N 2.86Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 3.34Å; E14-Q17 PolarHBondContact O-N 3.05Å; E14-E18 PolarHBondContact O-N 3.02Å |
| 15 | Q | 87.4 | Confident | 86.8 | Confident | 139 Ų | 139 | 116.7 Ų | 116.7 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -38.3 | 178.1 | -163.3 | 174.9 | 28.8 | 0 | 0 | 112.3 | L11 E18 Q19 | L11-Q15 WeakPolarHBondContact O-CB 3.45Å; L11-Q15 PolarHBondContact O-N 2.8Å; Q15-E18 PolarHBondContact O-N 3.42Å; Q15-Q19 PolarHBondContact O-N 2.84Å; Q15-Q19 VanDerWaalsContact O-N 3.1Å |
| 16 | A | 89.1 | Confident | 86.6 | Confident | 59 Ų | 59 | 117.6 Ų | 117.6 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | M12 E14 E18 Q19 E20 | M12-A16 PolarHBondContact O-N 2.9Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 3.34Å; A16-E18 VanDerWaalsContact C-N 3.33Å; A16-E18 PolarHBondContact O-N 3.31Å; A16-Q19 PolarHBondContact O-N 3.14Å; A16-E20 PolarHBondContact O-N 3.03Å |
| 17 | Q | 90 | Very high | 86 | Confident | 125 Ų | 125 | 119.3 Ų | 119.3 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -37 | 176.7 | -78.2 | -176.3 | -14.3 | 0 | 0 | 112.4 | R13 E14 R21 | R13-Q17 PolarHBondContact O-N 3.49Å; R13-Q17 VanDerWaalsContact O-N 3.15Å; E14-Q17 PolarHBondContact O-N 3.05Å; Q17-R21 WeakPolarHBondContact O-CB 3.46Å; Q17-R21 PolarHBondContact O-N 3.38Å |
| 18 | E | 89.8 | Confident | 85.3 | Confident | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68 | -37.1 | 177.7 | -171.7 | 160.7 | -142.6 | 0 | 0 | 112 | E14 Q15 A16 R21 R22 | E14-E18 PolarHBondContact O-N 3.02Å; Q15-E18 PolarHBondContact O-N 3.42Å; A16-E18 VanDerWaalsContact C-N 3.33Å; A16-E18 PolarHBondContact O-N 3.31Å; E18-R21 PolarHBondContact O-N 3.16Å; E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 PolarHBondContact O-N 3.21Å |
| 19 | Q | 84.7 | Confident | 84.5 | Confident | 116 Ų | 116 | 111.7 Ų | 111.7 | 54% | 0.542 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 174.7 | -173.9 | 163.5 | -15.9 | 0 | 0 | 112 | Q15 A16 R21 R22 E23 | Q15-Q19 PolarHBondContact O-N 2.84Å; Q15-Q19 VanDerWaalsContact O-N 3.1Å; A16-Q19 PolarHBondContact O-N 3.14Å; Q19-R21 VanDerWaalsContact C-N 3.3Å; Q19-R21 PolarHBondContact O-N 3.03Å; Q19-R22 WeakPolarHBondContact O-CB 3.26Å; Q19-R22 PolarHBondContact O-N 3.35Å; Q19-R22 VanDerWaalsContact O-N 3.07Å; Q19-E23 PolarHBondContact NE2-OE1 3.19Å; Q19-E23 PolarHBondContact O-N 2.99Å |
| 20 | E | 89.9 | Confident | 83.4 | Confident | 138 Ų | 138 | 110.1 Ų | 110.1 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 175.1 | -173.4 | -179.2 | -177.9 | 0 | 0 | 111.4 | A16 R22 E23 A24 | A16-E20 PolarHBondContact O-N 3.03Å; E20-R22 VanDerWaalsContact C-N 3.29Å; E20-R22 PolarHBondContact O-N 3.37Å; E20-E23 PolarHBondContact O-N 2.73Å; E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 3.12Å |
| 21 | R | 87.6 | Confident | 81.8 | Confident | 174 Ų | 174 | 109 Ų | 109 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 176.2 | -151.7 | -176.5 | 86.1 | 140.4 | 4.1 | 111.8 | Q17 E18 Q19 Q25 | Q17-R21 WeakPolarHBondContact O-CB 3.46Å; Q17-R21 PolarHBondContact O-N 3.38Å; E18-R21 PolarHBondContact O-N 3.16Å; Q19-R21 VanDerWaalsContact C-N 3.3Å; Q19-R21 PolarHBondContact O-N 3.03Å; R21-Q25 VanDerWaalsContact O-CB 3.31Å; R21-Q25 WeakPolarHBondContact O-CB 3.48Å; R21-Q25 PolarHBondContact O-N 3.28Å |
| 22 | R | 83.7 | Confident | 80.2 | Confident | 172 Ų | 172 | 112.3 Ų | 112.3 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.3 | -40.2 | 178.7 | -152.4 | -179.8 | -166.3 | 143 | 0.8 | 111.6 | E18 Q19 E20 Q25 Q26 | E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 PolarHBondContact O-N 3.21Å; Q19-R22 WeakPolarHBondContact O-CB 3.26Å; Q19-R22 PolarHBondContact O-N 3.35Å; Q19-R22 VanDerWaalsContact O-N 3.07Å; E20-R22 VanDerWaalsContact C-N 3.29Å; E20-R22 PolarHBondContact O-N 3.37Å; R22-Q25 PolarHBondContact O-N 3.4Å; R22-Q26 WeakPolarHBondContact O-CG 3.38Å; R22-Q26 PolarHBondContact O-N 2.95Å |
| 23 | E | 82.9 | Confident | 78.3 | Confident | 99 Ų | 99 | 114.5 Ų | 114.5 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -42.6 | 174.7 | -73.2 | 177 | -165.7 | 0 | 0 | 111.7 | Q19 E20 Q25 Q26 Q27 | Q19-E23 PolarHBondContact NE2-OE1 3.19Å; Q19-E23 PolarHBondContact O-N 2.99Å; E20-E23 PolarHBondContact O-N 2.73Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.45Å; E23-Q26 PolarHBondContact O-N 2.99Å; E23-Q27 WeakPolarHBondContact O-CB 3.48Å; E23-Q27 PolarHBondContact O-N 3.14Å |
| 24 | A | 82.4 | Confident | 76 | Confident | 55 Ų | 55 | 119.7 Ų | 119.7 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E20 Q27 A28 | E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 3.12Å; A24-Q27 PolarHBondContact O-N 3.15Å; A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 2.88Å |
| 25 | Q | 81.6 | Confident | 73.5 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -37.2 | 176.4 | -151.3 | 165 | 34.8 | 0 | 0 | 111.8 | R21 R22 E23 S29 | R21-Q25 VanDerWaalsContact O-CB 3.31Å; R21-Q25 WeakPolarHBondContact O-CB 3.48Å; R21-Q25 PolarHBondContact O-N 3.28Å; R22-Q25 PolarHBondContact O-N 3.4Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.45Å; Q25-S29 WeakPolarHBondContact O-CB 3.26Å; Q25-S29 PolarHBondContact O-N 2.86Å; Q25-S29 PolarHBondContact O-OG 3.26Å |
| 26 | Q | 76.9 | Confident | 71.8 | Confident | 122 Ų | 122 | 115.3 Ų | 115.3 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -45.3 | 171.3 | -80.3 | -177.5 | 20 | 0 | 0 | 111.8 | R22 E23 A28 S29 A30 | R22-Q26 WeakPolarHBondContact O-CG 3.38Å; R22-Q26 PolarHBondContact O-N 2.95Å; E23-Q26 PolarHBondContact O-N 2.99Å; Q26-A28 PolarHBondContact O-N 2.79Å; Q26-S29 WeakPolarHBondContact CA-OG 3.42Å; Q26-S29 PolarHBondContact O-N 2.7Å; Q26-S29 PolarHBondContact O-OG 3.08Å; Q26-A30 WeakPolarHBondContact O-CB 3.18Å; Q26-A30 PolarHBondContact O-N 3.33Å |
| 27 | Q | 73.2 | Confident | 69.1 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -38.7 | 176.8 | -78.5 | -178.4 | -0.1 | 0 | 0 | 112.4 | E23 A24 A30 S31 | E23-Q27 WeakPolarHBondContact O-CB 3.48Å; E23-Q27 PolarHBondContact O-N 3.14Å; A24-Q27 PolarHBondContact O-N 3.15Å; Q27-A30 PolarHBondContact O-N 2.82Å; Q27-S31 WeakPolarHBondContact O-CB 3.29Å; Q27-S31 PolarHBondContact O-N 3.42Å; Q27-S31 PolarHBondContact O-OG 3.3Å |
| 28 | A | 72.4 | Confident | 66.9 | Low | 55 Ų | 55 | 119.8 Ų | 119.8 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.9 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A24 Q26 S31 Q32 | A24-A28 VanDerWaalsContact O-CB 3.29Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 2.88Å; Q26-A28 PolarHBondContact O-N 2.79Å; A28-S31 PolarHBondContact O-N 3.45Å; A28-Q32 PolarHBondContact O-N 2.92Å; A28-Q32 VanDerWaalsContact O-N 3.07Å |
| 29 | S | 66.5 | Low | 64 | Low | 63 Ų | 63 | 119.6 Ų | 119.6 | 44% | 0.441 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69 | -37.6 | 175.4 | 72.3 | 0 | 0 | 0 | 0 | 113 | Q25 Q26 S31 Q32 L33 | Q25-S29 WeakPolarHBondContact O-CB 3.26Å; Q25-S29 PolarHBondContact O-N 2.86Å; Q25-S29 PolarHBondContact O-OG 3.26Å; Q26-S29 WeakPolarHBondContact CA-OG 3.42Å; Q26-S29 PolarHBondContact O-N 2.7Å; Q26-S29 PolarHBondContact O-OG 3.08Å; S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 3.23Å; S29-Q32 PolarHBondContact O-N 3.46Å; S29-L33 PolarHBondContact O-N 3.33Å; S29-L33 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 63.4 | Low | 62.4 | Low | 57 Ų | 57 | 119.9 Ų | 119.9 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.4 | -31.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q26 Q27 L33 | Q26-A30 WeakPolarHBondContact O-CB 3.18Å; Q26-A30 PolarHBondContact O-N 3.33Å; Q27-A30 PolarHBondContact O-N 2.82Å; A30-L33 PolarHBondContact O-N 3.33Å |
| 31 | S | 57.7 | Low | 59.7 | Low | 86 Ų | 86 | 117.7 Ų | 117.7 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.2 | -30.9 | 174.8 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | Q27 A28 S29 L33 R34 | Q27-S31 WeakPolarHBondContact O-CB 3.29Å; Q27-S31 PolarHBondContact O-N 3.42Å; Q27-S31 PolarHBondContact O-OG 3.3Å; A28-S31 PolarHBondContact O-N 3.45Å; S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 3.23Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-R34 PolarHBondContact O-N 3.39Å |
| 32 | Q | 55.8 | Low | 57.3 | Low | 167 Ų | 167 | 116.9 Ų | 116.9 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.9 | -23.8 | 171.6 | -76.8 | -172.4 | 6.4 | 0 | 0 | 113.3 | A28 S29 R34 G35 | A28-Q32 PolarHBondContact O-N 2.92Å; A28-Q32 VanDerWaalsContact O-N 3.07Å; S29-Q32 PolarHBondContact O-N 3.46Å; Q32-R34 PolarHBondContact O-N 3.28Å; Q32-G35 PolarHBondContact O-N 3.47Å |
| 33 | L | 48.6 | Very low | 55.2 | Low | 149 Ų | 149 | 114.1 Ų | 114.1 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.1 | 172.1 | -73.7 | 166.5 | 0 | 0 | 0 | 113.6 | S29 A30 S31 G35 | S29-L33 PolarHBondContact O-N 3.33Å; S29-L33 VanDerWaalsContact O-N 3.15Å; A30-L33 PolarHBondContact O-N 3.33Å; S31-L33 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 3Å |
| 34 | R | 41.8 | Very low | 53 | Low | 229 Ų | 229 | 115.9 Ų | 115.9 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -87.6 | 48 | 160.5 | -74.4 | -79.4 | -179.9 | 166.7 | -2.5 | 110.1 | S31 Q32 | S31-R34 PolarHBondContact O-N 3.39Å; Q32-R34 PolarHBondContact O-N 3.28Å | ||
| 35 | G | 39 | Very low | 51 | Low | 49 Ų | 49 | 118.2 Ų | 118.2 | 51% | 0.505 | 70% | 0.698 | S | S | . | * | trans | -73.1 | 120 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q32 L33 D37 | Q32-G35 PolarHBondContact O-N 3.47Å; L33-G35 PolarHBondContact O-N 3Å; G35-D37 PolarHBondContact O-N 2.91Å | ||
| 36 | S | 50.4 | Low | 48.9 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -22.6 | 108 | 167.1 | 53.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | D | 33.4 | Very low | 47.5 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -116.9 | 83.4 | 152.5 | -81.9 | -31.6 | 0 | 0 | 0 | 108.2 | G35 | G35-D37 PolarHBondContact O-N 2.91Š| ||
| 38 | S | 42.2 | Very low | 46.6 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -92.6 | 117.1 | 158.8 | -176.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 39 | T | 30.8 | Very low | 45.1 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -129.1 | 149.4 | 168 | 15.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 40 | P | 50.7 | Low | 43.8 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -96.6 | 140.5 | -138.9 | 35.7 | -34.1 | 0 | 0 | 0 | 112.3 | ||||
| 41 | A | 31.6 | Very low | 42.8 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -145.4 | 110 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | I | 38.4 | Very low | 42.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 62.9 | 102.5 | 146.2 | -61.9 | 167.9 | 0 | 0 | 0 | 116.3 | V44 | I42-V44 HydrophobicContact CG2-CG2 4.23Å; I42-V44 PolarHBondContact O-N 2.93Å | ||
| 43 | S | 40.3 | Very low | 42.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -64.6 | 118.2 | 161.2 | 45 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 44 | V | 36.4 | Very low | 42.5 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -132.9 | 123.3 | 152.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | I42 | I42-V44 HydrophobicContact CG2-CG2 4.23Å; I42-V44 PolarHBondContact O-N 2.93Å | ||
| 45 | S | 39 | Very low | 42.7 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -82.2 | 126.5 | -171.7 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 46 | L | 39.3 | Very low | 42.7 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 36.3 | 142.1 | 137.3 | -77.7 | 156.9 | 0 | 0 | 0 | 121 | ||||
| 47 | P | 46.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -140.2 | 170.4 | 76.4 | 29.9 | -8.7 | 0 | 0 | 0 | 117.5 | |||||
| 48 | P | 55.6 | Low | 43.1 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -100.8 | 126.1 | -167.2 | 35.8 | -24.8 | 0 | 0 | 0 | 112.1 | ||||
| 49 | N | 40.3 | Very low | 43.5 | Very low | 171 Ų | 171 | 128 Ų | 128 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | 171 | 122.2 | 146.6 | -105.2 | -15.8 | 0 | 0 | 0 | 109.9 | ||||
| 50 | A | 38.5 | Very low | 44.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 154.3 | 118.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 51 | A | 41.9 | Very low | 45.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 39.1 | 110.6 | 147 | 0 | 0 | 0 | 0 | 0 | 119.5 | P53 | A51-P53 WeakPolarHBondContact O-CD 3.41Š| ||
| 52 | R | 51.2 | Low | 46.3 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 126.9 | 156.9 | -178.1 | -174.2 | -156.3 | 179.5 | 7.1 | 112.4 | ||
| 53 | P | 49.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94 | 156.6 | 157.4 | 2.1 | 18.6 | 0 | 0 | 0 | 111.2 | A51 | A51-P53 WeakPolarHBondContact O-CD 3.41Š|
| 54 | P | 56.5 | Low | 47.6 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 163.1 | -178.5 | 31.2 | -33.9 | 0 | 0 | 0 | 111.9 | A56 | P54-A56 PolarHBondContact O-N 2.65Å; P54-A56 VanDerWaalsContact O-N 3.14Å |
| 55 | P | 46.1 | Very low | 48.2 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.6 | -179.7 | 24.8 | -33.2 | 0 | 0 | 0 | 110.4 | Q57 | P55-Q57 PolarHBondContact O-N 2.88Š|
| 56 | A | 39.4 | Very low | 48.6 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 120.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P54 V58 | P54-A56 PolarHBondContact O-N 2.65Å; P54-A56 VanDerWaalsContact O-N 3.14Å; A56-V58 PolarHBondContact O-N 3.33Å |
| 57 | Q | 47 | Very low | 49.3 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 117.9 | 169.9 | -126.8 | 161.4 | -9.6 | 0 | 0 | 108.5 | P55 P59 | P55-Q57 PolarHBondContact O-N 2.88Å; Q57-P59 VanDerWaalsContact O-CD 3.31Å; Q57-P59 WeakPolarHBondContact O-CD 3.38Å |
| 58 | V | 45.2 | Very low | 49.6 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 120.2 | 179 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | A56 V60 | A56-V58 PolarHBondContact O-N 3.33Å; V58-V60 PolarHBondContact O-N 3.41Å |
| 59 | P | 48.9 | Very low | 49.7 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.7 | 169.2 | -18.9 | 33.1 | 0 | 0 | 0 | 109.8 | Q57 E61 | Q57-P59 VanDerWaalsContact O-CD 3.31Å; Q57-P59 WeakPolarHBondContact O-CD 3.38Å; P59-E61 PolarHBondContact O-N 3.01Å |
| 60 | V | 59.4 | Low | 50.5 | Low | 149 Ų | 149 | 137.9 Ų | 137.9 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | trans | -74.6 | 60.3 | 165.6 | -96.6 | 0 | 0 | 0 | 0 | 109.4 | V58 | V58-V60 PolarHBondContact O-N 3.41Š| ||
| 61 | E | 57 | Low | 51.2 | Low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -113.6 | 101.1 | 165.2 | -70.6 | -168.9 | 170.4 | 0 | 0 | 107.2 | P59 L63 | P59-E61 PolarHBondContact O-N 3.01Å; E61-L63 PolarHBondContact O-N 3.3Å; E61-L63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | V | 56.6 | Low | 52.5 | Low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 116.3 | 176.1 | -172 | 0 | 0 | 0 | 0 | 107.4 | K64 | V62-K64 PolarHBondContact O-N 2.84Š| ||
| 63 | L | 48.3 | Very low | 53.6 | Low | 153 Ų | 153 | 130 Ų | 130 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | -54.1 | 105.4 | 167.4 | -87.7 | 104.6 | 0 | 0 | 0 | 107.6 | E61 V65 | E61-L63 PolarHBondContact O-N 3.3Å; E61-L63 VanDerWaalsContact O-N 3.11Å; L63-V65 VanDerWaalsContact C-N 3.26Å; L63-V65 PolarHBondContact O-N 3.07Å | ||
| 64 | K | 57.9 | Low | 54.5 | Low | 194 Ų | 194 | 130 Ų | 130 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -69.3 | 91.9 | 167.5 | -84.5 | -178.1 | 174.1 | 175.4 | 0 | 107.2 | V62 Q66 | V62-K64 PolarHBondContact O-N 2.84Å; K64-Q66 PolarHBondContact O-N 2.94Å | ||
| 65 | V | 49.6 | Very low | 55.3 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | -70.4 | 96.7 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | L63 T67 | L63-V65 VanDerWaalsContact C-N 3.26Å; L63-V65 PolarHBondContact O-N 3.07Å; V65-T67 HydrophobicContact CG1-CG2 3.77Å; V65-T67 PolarHBondContact O-N 2.98Å | ||
| 66 | Q | 47.3 | Very low | 56.6 | Low | 147 Ų | 147 | 130 Ų | 130 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | trans | -71.3 | 93.8 | 174.3 | -163.4 | 87.1 | 31.2 | 0 | 0 | 108.1 | K64 | K64-Q66 PolarHBondContact O-N 2.94Š| ||
| 67 | T | 53 | Low | 58.3 | Low | 74 Ų | 74 | 129.3 Ų | 129.3 | 45% | 0.454 | 67% | 0.666 | S | S | . | * | trans | -89.8 | 109.2 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | V65 L69 | V65-T67 HydrophobicContact CG1-CG2 3.77Å; V65-T67 PolarHBondContact O-N 2.98Å; T67-L69 PolarHBondContact O-N 3.48Å | ||
| 68 | H | 52.6 | Low | 59.6 | Low | 175 Ų | 175 | 123.2 Ų | 123.2 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | trans | -77.7 | 75.2 | 171.5 | -73.3 | -85.1 | 0 | 0 | 0 | 108.8 | ||||
| 69 | L | 56.8 | Low | 61 | Low | 105 Ų | 105 | 120.5 Ų | 120.5 | 55% | 0.55 | 62% | 0.617 | S | S | . | * | trans | -91.4 | 123 | 171.1 | -80.8 | 154.8 | 0 | 0 | 0 | 108.5 | T67 N71 T73 | T67-L69 PolarHBondContact O-N 3.48Å; L69-N71 WeakPolarHBondContact CB-O 3.33Å; L69-N71 PolarHBondContact O-N 3.41Å; L69-T73 WeakPolarHBondContact CD1-OG1 3.31Å | ||
| 70 | E | 58 | Low | 62.2 | Low | 194 Ų | 194 | 118.3 Ų | 118.3 | 91% | 0.907 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -63.8 | -8.7 | -179.2 | -159 | 175.1 | 136.7 | 0 | 0 | 113.1 | ||
| 71 | N | 52.3 | Low | 63 | Low | 124 Ų | 124 | 116.6 Ų | 116.6 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -136 | 136.6 | 169.7 | -68.5 | -74.1 | 0 | 0 | 0 | 109.1 | L69 T73 | L69-N71 WeakPolarHBondContact CB-O 3.33Å; L69-N71 PolarHBondContact O-N 3.41Å; N71-T73 PolarHBondContact O-N 3.45Å |
| 72 | P | 70.5 | Confident | 63.8 | Low | 86 Ų | 86 | 112.4 Ų | 112.4 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | trans | -59 | 131.9 | -176.6 | 22.8 | -31.5 | 0 | 0 | 0 | 110.7 | H76 I77 | P72-H76 HydrophobicContact CB-CB 4.38Å; P72-I77 HydrophobicContact CB-CD1 4.49Å; P72-I77 HydrophobicContact CB-CG1 3.91Å; P72-I77 HydrophobicContact CG-CD1 4.04Å; P72-I77 HydrophobicContact CG-CG1 3.77Å; P72-I77 WeakPolarHBondContact O-CD1 3.4Å | ||
| 73 | T | 74.8 | Confident | 64.9 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | trans | -55.4 | 146.7 | 178.2 | -31.7 | 0 | 0 | 0 | 0 | 110.2 | L69 N71 Y75 H76 I77 | L69-T73 WeakPolarHBondContact CD1-OG1 3.31Å; N71-T73 PolarHBondContact O-N 3.45Å; T73-Y75 PolarHBondContact O-N 2.8Å; T73-H76 WeakPolarHBondContact O-CA 3.32Å; T73-H76 WeakPolarHBondContact O-CB 3.49Å; T73-H76 PolarHBondContact O-N 3.47Å; T73-H76 PolarHBondContact OG1-ND1 3.26Å; T73-I77 PolarHBondContact O-N 2.97Å; T73-I77 VanDerWaalsContact O-N 3.09Å | ||
| 74 | K | 68.3 | Low | 66.2 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -45.1 | -41.5 | 176.8 | -172.6 | -174.1 | 176.5 | -162.4 | 0 | 112.4 | I77 Q78 D156 | K74-I77 PolarHBondContact O-N 3.35Å; K74-Q78 WeakPolarHBondContact O-CB 3.28Å; K74-Q78 PolarHBondContact O-N 2.8Å; K74-D156 IonicContact NZ-OD1 3.39Å; K74-D156 PolarHBondContact NZ-OD1 3.42Å |
| 75 | Y | 71.9 | Confident | 67 | Low | 145 Ų | 145 | 104.4 Ų | 104.4 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.7 | -47.1 | 174.6 | 179.5 | -96.9 | 0 | 0 | 0 | 113.3 | T73 Q78 Q79 | T73-Y75 PolarHBondContact O-N 2.8Å; Y75-Q78 PolarHBondContact O-N 3.25Å; Y75-Q79 VanDerWaalsContact O-CB 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.42Å; Y75-Q79 PolarHBondContact O-N 3.01Å |
| 76 | H | 73.8 | Confident | 68.1 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 179.3 | -70.6 | 99.6 | 0 | 0 | 0 | 112.1 | P72 T73 Q79 A80 | P72-H76 HydrophobicContact CB-CB 4.38Å; T73-H76 WeakPolarHBondContact O-CA 3.32Å; T73-H76 WeakPolarHBondContact O-CB 3.49Å; T73-H76 PolarHBondContact O-N 3.47Å; T73-H76 PolarHBondContact OG1-ND1 3.26Å; H76-Q79 PolarHBondContact O-N 3.46Å; H76-A80 VanDerWaalsContact O-CB 3.25Å; H76-A80 WeakPolarHBondContact O-CB 3.32Å; H76-A80 PolarHBondContact O-N 2.96Å |
| 77 | I | 75.4 | Confident | 69.3 | Low | 77 Ų | 77 | 102.8 Ų | 102.8 | 40% | 0.395 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.8 | -61.7 | 172 | 0 | 0 | 0 | 109.9 | P72 T73 K74 A80 Q81 | P72-I77 HydrophobicContact CB-CD1 4.49Å; P72-I77 HydrophobicContact CB-CG1 3.91Å; P72-I77 HydrophobicContact CG-CD1 4.04Å; P72-I77 HydrophobicContact CG-CG1 3.77Å; P72-I77 WeakPolarHBondContact O-CD1 3.4Å; T73-I77 PolarHBondContact O-N 2.97Å; T73-I77 VanDerWaalsContact O-N 3.09Å; K74-I77 PolarHBondContact O-N 3.35Å; I77-A80 PolarHBondContact O-N 2.9Å; I77-Q81 WeakPolarHBondContact O-CG 3.48Å; I77-Q81 PolarHBondContact O-N 3.46Å |
| 78 | Q | 74.8 | Confident | 70.1 | Confident | 64 Ų | 64 | 106.9 Ų | 106.9 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | -179 | -159.4 | 172.5 | 33.2 | 0 | 0 | 111.6 | K74 Y75 Q81 R82 | K74-Q78 WeakPolarHBondContact O-CB 3.28Å; K74-Q78 PolarHBondContact O-N 2.8Å; Y75-Q78 PolarHBondContact O-N 3.25Å; Q78-Q81 PolarHBondContact O-N 3.39Å; Q78-R82 WeakPolarHBondContact O-CG 3.46Å; Q78-R82 PolarHBondContact O-N 3.23Å |
| 79 | Q | 73.9 | Confident | 70.8 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 34% | 0.341 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 175.6 | -167.4 | 172.8 | 13.1 | 0 | 0 | 112 | Y75 H76 R82 Q83 | Y75-Q79 VanDerWaalsContact O-CB 3.25Å; Y75-Q79 WeakPolarHBondContact O-CB 3.42Å; Y75-Q79 PolarHBondContact O-N 3.01Å; H76-Q79 PolarHBondContact O-N 3.46Å; Q79-R82 WeakPolarHBondContact O-CB 3.38Å; Q79-R82 PolarHBondContact O-N 2.71Å; Q79-Q83 WeakPolarHBondContact O-CG 3.35Å; Q79-Q83 PolarHBondContact O-N 2.86Å |
| 80 | A | 74.6 | Confident | 71.3 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H76 I77 R82 Q83 Q84 | H76-A80 VanDerWaalsContact O-CB 3.25Å; H76-A80 WeakPolarHBondContact O-CB 3.32Å; H76-A80 PolarHBondContact O-N 2.96Å; I77-A80 PolarHBondContact O-N 2.9Å; A80-R82 VanDerWaalsContact C-N 3.35Å; A80-R82 PolarHBondContact O-N 3.33Å; A80-Q83 PolarHBondContact O-N 3Å; A80-Q84 WeakPolarHBondContact O-CB 3.41Å; A80-Q84 PolarHBondContact O-N 3.21Å |
| 81 | Q | 74.8 | Confident | 71.5 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 173.1 | -73.4 | 177.4 | 4.4 | 0 | 0 | 111.5 | I77 Q78 Q83 Q84 V85 | I77-Q81 WeakPolarHBondContact O-CG 3.48Å; I77-Q81 PolarHBondContact O-N 3.46Å; Q78-Q81 PolarHBondContact O-N 3.39Å; Q81-Q83 PolarHBondContact O-N 3.28Å; Q81-Q84 PolarHBondContact O-N 3.17Å; Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 2.97Å |
| 82 | R | 75.4 | Confident | 71.6 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.2 | -78 | 178.4 | 177 | -102.9 | 3.4 | 112.2 | Q78 Q79 A80 V85 K86 I148 S152 | Q78-R82 WeakPolarHBondContact O-CG 3.46Å; Q78-R82 PolarHBondContact O-N 3.23Å; Q79-R82 WeakPolarHBondContact O-CB 3.38Å; Q79-R82 PolarHBondContact O-N 2.71Å; A80-R82 VanDerWaalsContact C-N 3.35Å; A80-R82 PolarHBondContact O-N 3.33Å; R82-V85 PolarHBondContact O-N 2.81Å; R82-K86 WeakPolarHBondContact O-CB 3.49Å; R82-K86 PolarHBondContact O-N 3.04Å; R82-I148 HydrophobicContact CG-CG2 4.2Å; R82-I148 VanDerWaalsContact NH1-CG2 3.32Å; R82-S152 PolarHBondContact NH2-OG 2.97Å; R82-S152 VanDerWaalsContact NH2-OG 3.13Å |
| 83 | Q | 78.1 | Confident | 70.8 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.9 | -72.2 | 179.3 | 16.4 | 0 | 0 | 112.2 | Q79 A80 Q81 K86 Q87 | Q79-Q83 WeakPolarHBondContact O-CG 3.35Å; Q79-Q83 PolarHBondContact O-N 2.86Å; A80-Q83 PolarHBondContact O-N 3Å; Q81-Q83 PolarHBondContact O-N 3.28Å; Q83-K86 PolarHBondContact O-N 3.38Å; Q83-Q87 WeakPolarHBondContact O-CB 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.35Å; Q83-Q87 PolarHBondContact O-N 3.45Å |
| 84 | Q | 77.3 | Confident | 69.6 | Low | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 178.4 | -168.3 | 175.2 | 25.1 | 0 | 0 | 111.9 | A80 Q81 Q87 Y88 | A80-Q84 WeakPolarHBondContact O-CB 3.41Å; A80-Q84 PolarHBondContact O-N 3.21Å; Q81-Q84 PolarHBondContact O-N 3.17Å; Q84-Q87 PolarHBondContact O-N 2.86Å; Q84-Y88 WeakPolarHBondContact O-CB 3.27Å; Q84-Y88 PolarHBondContact O-N 3.35Å |
| 85 | V | 72.8 | Confident | 68.4 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | Q81 R82 Q87 Y88 L89 | Q81-V85 WeakPolarHBondContact O-CG2 3.43Å; Q81-V85 PolarHBondContact O-N 2.97Å; R82-V85 PolarHBondContact O-N 2.81Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 3.29Å; V85-Y88 PolarHBondContact O-N 3.47Å; V85-L89 HydrophobicContact CG1-CD1 3.82Å; V85-L89 HydrophobicContact CG1-CG 4.37Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.3Å |
| 86 | K | 73.6 | Confident | 67.4 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.7 | -171.6 | 162.2 | -175.1 | 141.3 | 0 | 111.9 | R82 Q83 S90 D141 | R82-K86 WeakPolarHBondContact O-CB 3.49Å; R82-K86 PolarHBondContact O-N 3.04Å; Q83-K86 PolarHBondContact O-N 3.38Å; K86-S90 VanDerWaalsContact O-CB 3.23Å; K86-S90 WeakPolarHBondContact O-CB 3.45Å; K86-S90 PolarHBondContact O-N 3.15Å; K86-S90 PolarHBondContact O-OG 3.36Å; K86-D141 IonicContact NZ-OD1 2.89Å; K86-D141 PolarHBondContact NZ-OD1 3.11Å; K86-D141 IonicContact NZ-OD2 3.44Å; K86-D141 PolarHBondContact NZ-OD2 3.1Å |
| 87 | Q | 72.1 | Confident | 66 | Low | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 174.5 | -75.4 | 177.7 | -10.4 | 0 | 0 | 112.5 | Q83 Q84 V85 L89 S90 T91 | Q83-Q87 WeakPolarHBondContact O-CB 3.28Å; Q83-Q87 WeakPolarHBondContact O-CG 3.35Å; Q83-Q87 PolarHBondContact O-N 3.45Å; Q84-Q87 PolarHBondContact O-N 2.86Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 3.29Å; Q87-L89 PolarHBondContact O-N 2.81Å; Q87-S90 PolarHBondContact O-N 3.43Å; Q87-T91 WeakPolarHBondContact O-CB 3.19Å; Q87-T91 VanDerWaalsContact O-CG2 3.25Å; Q87-T91 WeakPolarHBondContact O-CG2 3.31Å; Q87-T91 PolarHBondContact O-N 2.95Å; Q87-T91 PolarHBondContact O-OG1 3.11Å |
| 88 | Y | 70.8 | Confident | 64.3 | Low | 161 Ų | 161 | 102.9 Ų | 102.9 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 178.9 | -178.1 | -101.3 | 0 | 0 | 0 | 112.3 | Q84 V85 T91 T92 | Q84-Y88 WeakPolarHBondContact O-CB 3.27Å; Q84-Y88 PolarHBondContact O-N 3.35Å; V85-Y88 PolarHBondContact O-N 3.47Å; Y88-T91 WeakPolarHBondContact CA-OG1 3.21Å; Y88-T91 PolarHBondContact O-OG1 3.41Å; Y88-T92 PolarHBondContact O-N 3.03Å; Y88-T92 VanDerWaalsContact O-N 3.1Å; Y88-T92 PolarHBondContact O-OG1 2.94Å |
| 89 | L | 67.3 | Low | 62.5 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 39% | 0.393 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.8 | -37 | 176.8 | -65.6 | 172.3 | 0 | 0 | 0 | 111.8 | V85 Q87 T92 L93 I144 | V85-L89 HydrophobicContact CG1-CD1 3.82Å; V85-L89 HydrophobicContact CG1-CG 4.37Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.81Å; L89-T92 WeakPolarHBondContact CA-OG1 3.37Å; L89-T92 PolarHBondContact O-OG1 3.47Å; L89-L93 PolarHBondContact O-N 3.19Å; L89-I144 HydrophobicContact CD1-CD1 4.45Å |
| 90 | S | 66.7 | Low | 60.6 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | K86 Q87 G94 | K86-S90 VanDerWaalsContact O-CB 3.23Å; K86-S90 WeakPolarHBondContact O-CB 3.45Å; K86-S90 PolarHBondContact O-N 3.15Å; K86-S90 PolarHBondContact O-OG 3.36Å; Q87-S90 PolarHBondContact O-N 3.43Å; S90-G94 WeakPolarHBondContact O-CA 3.4Å; S90-G94 PolarHBondContact O-N 2.92Å |
| 91 | T | 61.4 | Low | 58.5 | Low | 84 Ų | 84 | 115 Ų | 115 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.4 | -32.2 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | Q87 Y88 N95 | Q87-T91 WeakPolarHBondContact O-CB 3.19Å; Q87-T91 VanDerWaalsContact O-CG2 3.25Å; Q87-T91 WeakPolarHBondContact O-CG2 3.31Å; Q87-T91 PolarHBondContact O-N 2.95Å; Q87-T91 PolarHBondContact O-OG1 3.11Å; Y88-T91 WeakPolarHBondContact CA-OG1 3.21Å; Y88-T91 PolarHBondContact O-OG1 3.41Å; T91-N95 PolarHBondContact O-OD1 2.86Å |
| 92 | T | 55.7 | Low | 56.5 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.1 | -25.1 | 175.7 | 40.7 | 0 | 0 | 0 | 0 | 113.2 | Y88 L89 | Y88-T92 PolarHBondContact O-N 3.03Å; Y88-T92 VanDerWaalsContact O-N 3.1Å; Y88-T92 PolarHBondContact O-OG1 2.94Å; L89-T92 WeakPolarHBondContact CA-OG1 3.37Å; L89-T92 PolarHBondContact O-OG1 3.47Å |
| 93 | L | 53.8 | Low | 54.3 | Low | 143 Ų | 143 | 118.5 Ų | 118.5 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -96.2 | -15.9 | 175 | -156.7 | 66.7 | 0 | 0 | 0 | 113.9 | L89 | L89-L93 PolarHBondContact O-N 3.19Å |
| 94 | G | 48.5 | Very low | 52.1 | Low | 42 Ų | 42 | 119.9 Ų | 119.9 | 43% | 0.433 | 68% | 0.677 | S | S | . | * | trans | -89.5 | 0.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S90 K96 | S90-G94 WeakPolarHBondContact O-CA 3.4Å; S90-G94 PolarHBondContact O-N 2.92Å; G94-K96 PolarHBondContact O-N 3.43Å | ||
| 95 | N | 44.3 | Very low | 49.8 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -78.7 | 39.7 | -175.9 | -84.8 | 16.5 | 0 | 0 | 0 | 115.1 | T91 | T91-N95 PolarHBondContact O-OD1 2.86Š| ||
| 96 | K | 50.3 | Low | 48.4 | Very low | 212 Ų | 212 | 120.7 Ų | 120.7 | 92% | 0.922 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -132.1 | 45.9 | 162.1 | -70.1 | -160.2 | 172.8 | -171.8 | 0 | 112.1 | G94 | G94-K96 PolarHBondContact O-N 3.43Š|
| 97 | A | 45.3 | Very low | 46.1 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -162.5 | 153.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 98 | V | 38.6 | Very low | 44.2 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | trans | 88 | 62.3 | -172.9 | -163.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 99 | T | 36.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -133.3 | 76.9 | 136.6 | -33.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 100 | Q | 35.2 | Very low | 40.5 | Very low | 194 Ų | 194 | 125.4 Ų | 125.4 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -179.5 | 102.1 | 162.7 | -105.9 | 172.8 | 87.3 | 0 | 0 | 109.8 | ||||
| 101 | S | 30.2 | Very low | 38.8 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -171.9 | 117.4 | 134.4 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | L | 31.8 | Very low | 37.3 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | trans | 158.7 | 98.9 | 136.6 | -83.6 | 162.6 | 0 | 0 | 0 | 108.4 | ||||
| 103 | G | 29.1 | Very low | 36.1 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 169.6 | 103.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | V | 32.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -75 | 125.8 | -173.8 | 164 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | S | 28.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 35.5 | 165.7 | 143.9 | -63.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 106 | P | 43.7 | Very low | 34.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -136.7 | -170.4 | -49.6 | 37 | -17 | 0 | 0 | 0 | 113.9 | ||||
| 107 | V | 26.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.655 | 79% | 0.79 | S | S | * | * | trans | 99.9 | 105.9 | 156.6 | -152.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 108 | H | 32.1 | Very low | 33.1 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | 173.9 | 151.2 | 107 | -94.8 | -69.1 | 0 | 0 | 0 | 113 | |||||
| 109 | Q | 30 | Very low | 32.7 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -79.6 | 156.8 | -164.7 | -61.5 | 160.8 | -30.2 | 0 | 0 | 115.1 | ||||
| 110 | S | 29.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 149 | 127.7 | 112.1 | -79.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 111 | S | 30.1 | Very low | 33.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 30.8 | 128.9 | 144.4 | 57.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 112 | S | 30.8 | Very low | 33.5 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -179.3 | 153.1 | 69.5 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 113 | A | 29.6 | Very low | 34 | Very low | 95 Ų | 95 | 118.9 Ų | 118.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -99.3 | -176.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 114 | P | 46 | Very low | 34.8 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -137 | 174.1 | -6.9 | 39.6 | -20 | 0 | 0 | 0 | 117.1 | ||||
| 115 | E | 29.6 | Very low | 35.5 | Very low | 180 Ų | 180 | 121.6 Ų | 121.6 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 86 | 137.4 | 142.9 | -123.1 | -165.6 | 145.3 | 0 | 0 | 124.9 | ||||
| 116 | V | 32.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 94 | 103 | 156.7 | -157.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 117 | G | 31.8 | Very low | 36.5 | Very low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 92.5 | 126.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 118 | P | 39.8 | Very low | 37.5 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -93.7 | 132.6 | -178 | 35.7 | -28.9 | 0 | 0 | 0 | 112.4 | ||||
| 119 | C | 31.1 | Very low | 38.5 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -136.2 | 96.5 | 163.2 | -139.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 120 | A | 38.4 | Very low | 39.2 | Very low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 61.3 | 89.7 | 100 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 121 | S | 40.5 | Very low | 40.2 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -133.7 | 93.3 | 159.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 122 | S | 39.3 | Very low | 41 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -153.7 | 130.6 | 158.4 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 123 | A | 42 | Very low | 41.9 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -51.8 | 139.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N125 | A123-N125 PolarHBondContact O-N 3.43Š| ||
| 124 | P | 47.3 | Very low | 42.9 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.7 | 42.2 | -165.1 | 40.1 | -37.2 | 0 | 0 | 0 | 114.2 | ||
| 125 | N | 46 | Very low | 43.2 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -144.7 | 40.1 | -175.7 | -90.2 | -22.2 | 0 | 0 | 0 | 115.8 | A123 | A123-N125 PolarHBondContact O-N 3.43Š| ||
| 126 | S | 41.2 | Very low | 44.3 | Very low | 86 Ų | 86 | 116.4 Ų | 116.4 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -126.8 | 131.4 | 167.4 | -99 | 0 | 0 | 0 | 0 | 111.1 | M128 A129 | S126-M128 PolarHBondContact O-N 2.96Å; S126-A129 PolarHBondContact O-N 2.87Å | ||
| 127 | P | 51.4 | Low | 45.4 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -4.2 | -178.3 | 26.5 | -33.9 | 0 | 0 | 0 | 114.4 | ||
| 128 | M | 48.8 | Very low | 46.7 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -7 | 176.5 | -74.5 | -171.6 | 66.2 | 0 | 0 | 114.7 | S126 L130 | S126-M128 PolarHBondContact O-N 2.96Å; M128-L130 PolarHBondContact O-N 3.22Å |
| 129 | A | 52.4 | Low | 47.6 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -0.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | S126 | S126-A129 PolarHBondContact O-N 2.87Š|
| 130 | L | 45.8 | Very low | 49.2 | Very low | 161 Ų | 161 | 119.1 Ų | 119.1 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 4.5 | -173.6 | -70.8 | 175.6 | 0 | 0 | 0 | 115.2 | M128 N132 | M128-L130 PolarHBondContact O-N 3.22Å; L130-N132 PolarHBondContact O-N 3.43Å |
| 131 | L | 48.7 | Very low | 50.4 | Low | 133 Ų | 133 | 117 Ų | 117 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | trans | -96.6 | 76.3 | 176.5 | -58 | -177.2 | 0 | 0 | 0 | 110.2 | I133 | L131-I133 HydrophobicContact CB-CD1 3.93Å; L131-I133 HydrophobicContact CB-CG1 4.24Å; L131-I133 PolarHBondContact O-N 3.04Å | ||
| 132 | N | 47.8 | Very low | 51.6 | Low | 161 Ų | 161 | 115.8 Ų | 115.8 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | -74 | 76.3 | 166.5 | -173.2 | 77.3 | 0 | 0 | 0 | 109.2 | L130 G134 | L130-N132 PolarHBondContact O-N 3.43Å; N132-G134 PolarHBondContact O-N 2.95Å | ||
| 133 | I | 50.8 | Low | 53.1 | Low | 117 Ų | 117 | 114.3 Ų | 114.3 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | trans | -81 | 113.2 | 174.7 | -62.8 | 152.3 | 0 | 0 | 0 | 106.7 | L131 I140 | L131-I133 HydrophobicContact CB-CD1 3.93Å; L131-I133 HydrophobicContact CB-CG1 4.24Å; L131-I133 PolarHBondContact O-N 3.04Å; I133-I140 HydrophobicContact CG2-CD1 4.04Å | ||
| 134 | G | 49.3 | Very low | 54.2 | Low | 46 Ų | 46 | 111.6 Ų | 111.6 | 47% | 0.474 | 63% | 0.628 | S | S | . | * | trans | -55.8 | 142.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N132 N136 | N132-G134 PolarHBondContact O-N 2.95Å; G134-N136 VanDerWaalsContact C-N 3.28Å; G134-N136 PolarHBondContact O-N 3.19Å | ||
| 135 | S | 51.9 | Low | 55.3 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 85% | 0.853 | 61% | 0.611 | S | S | * | * | trans | -67.1 | 76.5 | -176.3 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 136 | N | 52.8 | Low | 56.5 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 60% | 0.598 | S | S | . | * | trans | -113.9 | 93.5 | 166.8 | -58.8 | -21.8 | 0 | 0 | 0 | 107.8 | G134 E138 E139 I140 | G134-N136 VanDerWaalsContact C-N 3.28Å; G134-N136 PolarHBondContact O-N 3.19Å; N136-E138 PolarHBondContact O-N 2.87Å; N136-E139 HydrophobicContact CB-CB 4.25Å; N136-E139 HydrophobicContact CB-CG 4.49Å; N136-E139 PolarHBondContact ND2-OE2 3.32Å; N136-I140 WeakPolarHBondContact O-CD1 3.46Å; N136-I140 WeakPolarHBondContact O-CG1 3.44Å | ||
| 137 | K | 57.2 | Low | 58.1 | Low | 168 Ų | 168 | 108.1 Ų | 108.1 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -28.8 | -176.5 | -174.9 | -179.2 | 174 | -172.2 | 0 | 112.6 | D141 | K137-D141 PolarHBondContact O-N 3.27Å |
| 138 | E | 58.7 | Low | 58.6 | Low | 162 Ų | 162 | 103.1 Ų | 103.1 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.6 | -46.1 | -176.5 | -70 | 142.7 | -169.3 | 0 | 0 | 112.2 | N136 I140 D141 D142 | N136-E138 PolarHBondContact O-N 2.87Å; E138-I140 PolarHBondContact O-N 3.1Å; E138-D141 PolarHBondContact O-N 2.65Å; E138-D142 PolarHBondContact O-N 2.91Å; E138-D142 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 58.1 | Low | 59.6 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -29 | 177 | -79.6 | -177.4 | 145 | 0 | 0 | 113.1 | N136 V143 | N136-E139 HydrophobicContact CB-CB 4.25Å; N136-E139 HydrophobicContact CB-CG 4.49Å; N136-E139 PolarHBondContact ND2-OE2 3.32Å; E139-V143 VanDerWaalsContact O-CG2 3.25Å; E139-V143 WeakPolarHBondContact O-CG2 3.29Å; E139-V143 PolarHBondContact O-N 3.4Å; E139-V143 VanDerWaalsContact O-N 3.1Å |
| 140 | I | 64.3 | Low | 60.1 | Low | 61 Ų | 61 | 100.6 Ų | 100.6 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77 | -36.2 | 179.4 | -64.2 | 164.7 | 0 | 0 | 0 | 110.9 | I133 N136 E138 D142 V143 I144 | I133-I140 HydrophobicContact CG2-CD1 4.04Å; N136-I140 WeakPolarHBondContact O-CD1 3.46Å; N136-I140 WeakPolarHBondContact O-CG1 3.44Å; E138-I140 PolarHBondContact O-N 3.1Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-V143 PolarHBondContact O-N 2.97Å; I140-I144 HydrophobicContact CG2-CD1 3.83Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CB 3.49Å; I140-I144 WeakPolarHBondContact O-CD1 3.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.37Å |
| 141 | D | 63.5 | Low | 60.8 | Low | 50 Ų | 50 | 98.7 Ų | 98.7 | 27% | 0.267 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 173.4 | -95.3 | -27.8 | 0 | 0 | 0 | 110.4 | K86 K137 E138 I144 D145 | K86-D141 IonicContact NZ-OD1 2.89Å; K86-D141 PolarHBondContact NZ-OD1 3.11Å; K86-D141 IonicContact NZ-OD2 3.44Å; K86-D141 PolarHBondContact NZ-OD2 3.1Å; K137-D141 PolarHBondContact O-N 3.27Å; E138-D141 PolarHBondContact O-N 2.65Å; D141-I144 PolarHBondContact O-N 3.39Å; D141-D145 PolarHBondContact O-N 3.01Å |
| 142 | D | 67 | Low | 61.1 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.1 | -68.3 | -27.1 | 0 | 0 | 0 | 112.4 | E138 I140 I144 D145 D146 | E138-D142 PolarHBondContact O-N 2.91Å; E138-D142 VanDerWaalsContact O-N 3.13Å; I140-D142 VanDerWaalsContact C-N 3.34Å; D142-I144 VanDerWaalsContact C-N 3.31Å; D142-I144 PolarHBondContact O-N 2.85Å; D142-D145 PolarHBondContact O-N 3.1Å; D142-D146 PolarHBondContact O-N 3.14Å |
| 143 | V | 69.9 | Low | 61.4 | Low | 81 Ų | 81 | 89.4 Ų | 89.4 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | E139 I140 I147 | E139-V143 VanDerWaalsContact O-CG2 3.25Å; E139-V143 WeakPolarHBondContact O-CG2 3.29Å; E139-V143 PolarHBondContact O-N 3.4Å; E139-V143 VanDerWaalsContact O-N 3.1Å; I140-V143 PolarHBondContact O-N 2.97Å; V143-I147 HydrophobicContact CG1-CD1 3.85Å; V143-I147 WeakPolarHBondContact O-CB 3.4Å; V143-I147 WeakPolarHBondContact O-CD1 3.33Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 2.85Å |
| 144 | I | 65.2 | Low | 61.5 | Low | 35 Ų | 35 | 91 Ų | 91 | 18% | 0.179 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.1 | -71.9 | 165.7 | 0 | 0 | 0 | 110.2 | L89 I140 D141 D142 D146 I147 I148 | L89-I144 HydrophobicContact CD1-CD1 4.45Å; I140-I144 HydrophobicContact CG2-CD1 3.83Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CB 3.49Å; I140-I144 WeakPolarHBondContact O-CD1 3.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.37Å; D141-I144 PolarHBondContact O-N 3.39Å; D142-I144 VanDerWaalsContact C-N 3.31Å; D142-I144 PolarHBondContact O-N 2.85Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-I147 PolarHBondContact O-N 3.44Å; I144-I148 HydrophobicContact CG2-CD1 3.55Å; I144-I148 HydrophobicContact CG2-CG1 4.37Å; I144-I148 WeakPolarHBondContact O-CB 3.46Å; I144-I148 WeakPolarHBondContact O-CG1 3.37Å; I144-I148 PolarHBondContact O-N 3.37Å |
| 145 | D | 70.1 | Confident | 62 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 177.3 | -81.3 | -24.9 | 0 | 0 | 0 | 112.2 | D141 D142 S149 | D141-D145 PolarHBondContact O-N 3.01Å; D142-D145 PolarHBondContact O-N 3.1Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å; D145-S149 PolarHBondContact O-OG 3.14Å |
| 146 | D | 72 | Confident | 62.1 | Low | 108 Ų | 108 | 90.3 Ų | 90.3 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 172.3 | -79.7 | -15.6 | 0 | 0 | 0 | 112 | D142 I144 I148 S149 L150 | D142-D146 PolarHBondContact O-N 3.14Å; I144-D146 VanDerWaalsContact C-N 3.34Å; D146-I148 PolarHBondContact O-N 2.93Å; D146-S149 PolarHBondContact O-N 3.34Å; D146-L150 WeakPolarHBondContact O-CB 3.28Å; D146-L150 WeakPolarHBondContact O-CD1 3.18Å; D146-L150 WeakPolarHBondContact O-CG 3.41Å; D146-L150 PolarHBondContact O-N 3.4Å |
| 147 | I | 73.4 | Confident | 62.1 | Low | 101 Ų | 101 | 91.9 Ų | 91.9 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.3 | -69.9 | 166 | 0 | 0 | 0 | 111 | V143 I144 L150 E151 | V143-I147 HydrophobicContact CG1-CD1 3.85Å; V143-I147 WeakPolarHBondContact O-CB 3.4Å; V143-I147 WeakPolarHBondContact O-CD1 3.33Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 2.85Å; I144-I147 PolarHBondContact O-N 3.44Å; I147-L150 PolarHBondContact O-N 2.68Å; I147-E151 PolarHBondContact O-N 3.07Å; I147-E151 VanDerWaalsContact O-N 3.11Å |
| 148 | I | 63.6 | Low | 62 | Low | 26 Ų | 26 | 87.9 Ų | 87.9 | 13% | 0.133 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -76.3 | -31.2 | -178.9 | -58.5 | 169.3 | 0 | 0 | 0 | 111 | R82 I144 D146 E151 S152 | R82-I148 HydrophobicContact CG-CG2 4.2Å; R82-I148 VanDerWaalsContact NH1-CG2 3.32Å; I144-I148 HydrophobicContact CG2-CD1 3.55Å; I144-I148 HydrophobicContact CG2-CG1 4.37Å; I144-I148 WeakPolarHBondContact O-CB 3.46Å; I144-I148 WeakPolarHBondContact O-CG1 3.37Å; I144-I148 PolarHBondContact O-N 3.37Å; D146-I148 PolarHBondContact O-N 2.93Å; I148-E151 PolarHBondContact O-N 2.95Å; I148-S152 WeakPolarHBondContact O-CB 3.43Å; I148-S152 PolarHBondContact O-N 3.42Å; I148-S152 PolarHBondContact O-OG 3.19Å |
| 149 | S | 68.6 | Low | 61.8 | Low | 64 Ų | 64 | 83.9 Ų | 83.9 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 172.1 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | D145 D146 S152 S153 | D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å; D145-S149 PolarHBondContact O-OG 3.14Å; D146-S149 PolarHBondContact O-N 3.34Å; S149-S152 PolarHBondContact O-N 2.91Å; S149-S153 PolarHBondContact O-N 3.43Å; S149-S153 VanDerWaalsContact O-N 3.11Å |
| 150 | L | 63.4 | Low | 61.6 | Low | 127 Ų | 127 | 82.5 Ų | 82.5 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.4 | -37.3 | 172.6 | -72.9 | 165.1 | 0 | 0 | 0 | 112.5 | D146 I147 F154 | D146-L150 WeakPolarHBondContact O-CB 3.28Å; D146-L150 WeakPolarHBondContact O-CD1 3.18Å; D146-L150 WeakPolarHBondContact O-CG 3.41Å; D146-L150 PolarHBondContact O-N 3.4Å; I147-L150 PolarHBondContact O-N 2.68Å; L150-F154 PolarHBondContact O-N 3.03Å |
| 151 | E | 60.8 | Low | 61 | Low | 121 Ų | 121 | 86.2 Ų | 86.2 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.3 | -27.2 | 175.3 | -168.9 | 169.3 | -157.9 | 0 | 0 | 112.9 | I147 I148 F154 N155 | I147-E151 PolarHBondContact O-N 3.07Å; I147-E151 VanDerWaalsContact O-N 3.11Å; I148-E151 PolarHBondContact O-N 2.95Å; E151-F154 PolarHBondContact O-N 3.36Å; E151-N155 PolarHBondContact O-N 3.06Å; E151-N155 PolarHBondContact O-ND2 2.98Å |
| 152 | S | 54.8 | Low | 60.6 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 15% | 0.147 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72 | -40.2 | 175.6 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | R82 I148 S149 F154 N155 D156 | R82-S152 PolarHBondContact NH2-OG 2.97Å; R82-S152 VanDerWaalsContact NH2-OG 3.13Å; I148-S152 WeakPolarHBondContact O-CB 3.43Å; I148-S152 PolarHBondContact O-N 3.42Å; I148-S152 PolarHBondContact O-OG 3.19Å; S149-S152 PolarHBondContact O-N 2.91Å; S152-F154 PolarHBondContact O-N 3.28Å; S152-N155 PolarHBondContact O-N 2.7Å; S152-D156 PolarHBondContact O-N 3.16Å |
| 153 | S | 54.2 | Low | 59.4 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.3 | -33.2 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | S149 | S149-S153 PolarHBondContact O-N 3.43Å; S149-S153 VanDerWaalsContact O-N 3.11Å |
| 154 | F | 53.2 | Low | 58.4 | Low | 151 Ų | 151 | 92.2 Ų | 92.2 | 66% | 0.662 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -79 | -26.2 | 179.3 | -148.6 | -92 | 0 | 0 | 0 | 112.7 | L150 E151 S152 | L150-F154 PolarHBondContact O-N 3.03Å; E151-F154 PolarHBondContact O-N 3.36Å; S152-F154 PolarHBondContact O-N 3.28Å |
| 155 | N | 59.1 | Low | 57.6 | Low | 78 Ų | 78 | 93 Ų | 93 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -84.6 | -30.6 | 178.3 | -90.3 | -42.4 | 0 | 0 | 0 | 113.4 | E151 S152 I158 I159 | E151-N155 PolarHBondContact O-N 3.06Å; E151-N155 PolarHBondContact O-ND2 2.98Å; S152-N155 PolarHBondContact O-N 2.7Å; N155-I158 PolarHBondContact O-N 3.42Å; N155-I159 VanDerWaalsContact O-CG1 3.31Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.33Å; N155-I159 VanDerWaalsContact O-N 3.12Å |
| 156 | D | 54.3 | Low | 56.4 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 40% | 0.401 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 176.3 | -82.7 | -29.1 | 0 | 0 | 0 | 112.1 | K74 S152 I158 I159 T160 | K74-D156 IonicContact NZ-OD1 3.39Å; K74-D156 PolarHBondContact NZ-OD1 3.42Å; S152-D156 PolarHBondContact O-N 3.16Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 PolarHBondContact O-N 3.04Å; D156-I159 PolarHBondContact O-N 3.31Å; D156-I159 VanDerWaalsContact O-N 3.16Å; D156-T160 PolarHBondContact O-N 2.88Å; D156-T160 PolarHBondContact O-OG1 3.39Å |
| 157 | D | 52.1 | Low | 54.8 | Low | 118 Ų | 118 | 99.8 Ų | 99.8 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62 | -31.2 | 173.8 | -75.7 | -20 | 0 | 0 | 0 | 113.3 | L161 | D157-L161 WeakPolarHBondContact O-CB 3.4Å |
| 158 | I | 55.5 | Low | 53.3 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 44% | 0.436 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.2 | -35.6 | 176.9 | -65.5 | 179.5 | 0 | 0 | 0 | 110.9 | N155 D156 I162 | N155-I158 PolarHBondContact O-N 3.42Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 PolarHBondContact O-N 3.04Å; I158-I162 HydrophobicContact CG2-CD1 4.3Å; I158-I162 WeakPolarHBondContact O-CD1 3.31Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.03Å |
| 159 | I | 55 | Low | 52.2 | Low | 78 Ų | 78 | 106.6 Ų | 106.6 | 40% | 0.4 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.6 | -41 | 179.8 | -66.4 | -80.9 | 0 | 0 | 0 | 111.4 | N155 D156 L161 I162 D163 | N155-I159 VanDerWaalsContact O-CG1 3.31Å; N155-I159 WeakPolarHBondContact O-CG1 3.39Å; N155-I159 PolarHBondContact O-N 3.33Å; N155-I159 VanDerWaalsContact O-N 3.12Å; D156-I159 PolarHBondContact O-N 3.31Å; D156-I159 VanDerWaalsContact O-N 3.16Å; I159-L161 PolarHBondContact O-N 3.45Å; I159-I162 PolarHBondContact O-N 3.37Å; I159-I162 VanDerWaalsContact O-N 3.09Å; I159-D163 PolarHBondContact O-N 2.67Å |
| 160 | T | 54.4 | Low | 50.5 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.8 | -27.8 | 176.8 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | D156 S164 | D156-T160 PolarHBondContact O-N 2.88Å; D156-T160 PolarHBondContact O-OG1 3.39Å; T160-S164 PolarHBondContact O-OG 2.94Å |
| 161 | L | 51.6 | Low | 49.4 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.3 | -25.5 | 175.5 | -167.4 | 63.6 | 0 | 0 | 0 | 113.3 | D157 I159 | D157-L161 WeakPolarHBondContact O-CB 3.4Å; I159-L161 PolarHBondContact O-N 3.45Å |
| 162 | I | 55 | Low | 48.6 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 54% | 0.538 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -82 | -35.1 | 177.3 | -66.5 | 165.7 | 0 | 0 | 0 | 111 | I158 I159 S164 G165 | I158-I162 HydrophobicContact CG2-CD1 4.3Å; I158-I162 WeakPolarHBondContact O-CD1 3.31Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.03Å; I159-I162 PolarHBondContact O-N 3.37Å; I159-I162 VanDerWaalsContact O-N 3.09Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 3.48Å; I162-G165 PolarHBondContact O-N 3.12Å |
| 163 | D | 41.7 | Very low | 48.1 | Very low | 145 Ų | 145 | 116.5 Ų | 116.5 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72 | -23.2 | -177.1 | -160.4 | 32.4 | 0 | 0 | 0 | 113.4 | I159 G165 | I159-D163 PolarHBondContact O-N 2.67Å; D163-G165 VanDerWaalsContact C-N 3.27Å; D163-G165 PolarHBondContact O-N 3Å |
| 164 | S | 49 | Very low | 47.2 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -0.4 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 114.3 | T160 I162 | T160-S164 PolarHBondContact O-OG 2.94Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 3.48Å |
| 165 | G | 48.8 | Very low | 46.6 | Very low | 53 Ų | 53 | 116.6 Ų | 116.6 | 55% | 0.546 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -125.5 | -5.5 | -159.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | I162 D163 | I162-G165 PolarHBondContact O-N 3.12Å; D163-G165 VanDerWaalsContact C-N 3.27Å; D163-G165 PolarHBondContact O-N 3Å |
| 166 | L | 43.1 | Very low | 45.8 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | trans | -140 | 84.6 | -171.6 | -69.3 | 174.1 | 0 | 0 | 0 | 114.2 | L168 | L166-L168 HydrophobicContact CD2-CD1 3.99Å; L166-L168 HydrophobicContact CD2-CG 4.32Å | ||
| 167 | Q | 39.6 | Very low | 45.2 | Very low | 198 Ų | 198 | 124 Ų | 124 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | trans | -105.6 | 103.5 | 143.5 | -76 | -174.3 | 44.4 | 0 | 0 | 107.8 | ||||
| 168 | L | 42 | Very low | 44.6 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | -117 | 128.7 | 169.6 | -72.5 | 176.3 | 0 | 0 | 0 | 109.4 | L166 | L166-L168 HydrophobicContact CD2-CD1 3.99Å; L166-L168 HydrophobicContact CD2-CG 4.32Å | ||
| 169 | P | 39.3 | Very low | 44 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | -74 | 131.1 | 167.9 | -3.7 | 20.5 | 0 | 0 | 0 | 109.8 | ||||
| 170 | S | 34.6 | Very low | 43.1 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -83.2 | 116.8 | 174.4 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 171 | T | 39 | Very low | 42.2 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -142.4 | 120.1 | 155.7 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 172 | L | 44.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -80.1 | 153.2 | 170.6 | -74.8 | 163.9 | 0 | 0 | 0 | 110.6 | ||||
| 173 | P | 44.6 | Very low | 41.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -122.7 | 132.5 | 143.6 | 33.4 | -21.4 | 0 | 0 | 0 | 111.8 | ||||
| 174 | G | 35.1 | Very low | 40.9 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 156.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 175 | N | 40.7 | Very low | 40.4 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | 20.8 | 123 | 153.4 | -68.8 | 14.2 | 0 | 0 | 0 | 121.3 | ||||
| 176 | L | 42.3 | Very low | 39.7 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -157.3 | 99.8 | 133.2 | -101 | 172.8 | 0 | 0 | 0 | 107.2 | ||||
| 177 | L | 41.8 | Very low | 39.3 | Very low | 142 Ų | 142 | 137 Ų | 137 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 81.5 | 97.6 | 96 | -155.3 | 88.5 | 0 | 0 | 0 | 113.2 | V179 | L177-V179 HydrophobicContact CD2-CG2 3.7Å; L177-V179 HydrophobicContact CG-CG2 4.02Å | |||
| 178 | D | 39.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 121.5 | 164.3 | -174.7 | 19.1 | 0 | 0 | 0 | 110.4 | ||||
| 179 | V | 43.6 | Very low | 39.1 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 59% | 0.588 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 120.9 | 166.1 | -150.6 | 0 | 0 | 0 | 0 | 110.9 | L177 | L177-V179 HydrophobicContact CD2-CG2 3.7Å; L177-V179 HydrophobicContact CG-CG2 4.02Å | ||
| 180 | Y | 35.3 | Very low | 39.7 | Very low | 211 Ų | 211 | 135 Ų | 135 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 80.6 | 94.6 | 168.8 | -75.1 | -81.6 | 0 | 0 | 0 | 119.5 | ||||
| 181 | H | 36.7 | Very low | 40 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -124.7 | 122.6 | 143.2 | -84.1 | 79.5 | 0 | 0 | 0 | 109.9 | ||||
| 182 | S | 36.5 | Very low | 40.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -155.7 | 153.2 | 155.3 | -86.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 183 | P | 49.2 | Very low | 40 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -107 | 144.6 | -139.5 | 36.5 | -28.5 | 0 | 0 | 0 | 113.1 | ||||
| 184 | G | 33.6 | Very low | 40.7 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 174.7 | 119.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 185 | M | 38.5 | Very low | 41.2 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 82.8 | 117.7 | 153.2 | -67 | -78.7 | 110.9 | 0 | 0 | 120.9 | ||||
| 186 | A | 35.7 | Very low | 41.3 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 79.8 | 113.5 | 137 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 187 | A | 32.9 | Very low | 41.7 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 128.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | T189 | A187-T189 PolarHBondContact O-N 3.36Š| ||
| 188 | P | 42.6 | Very low | 42.1 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 112.1 | 173 | 33.8 | -26.7 | 0 | 0 | 0 | 110 | ||||
| 189 | T | 36.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -97.7 | 120.1 | 162.3 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | A187 T191 | A187-T189 PolarHBondContact O-N 3.36Å; T189-T191 PolarHBondContact O-N 3.5Å | ||
| 190 | L | 51.3 | Low | 42.8 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -54.9 | 113.4 | 172.4 | -66.7 | 164.7 | 0 | 0 | 0 | 109.9 | ||||
| 191 | T | 40.1 | Very low | 43.5 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -117 | 102.4 | 161.6 | 62.6 | 0 | 0 | 0 | 0 | 108.6 | T189 S193 | T189-T191 PolarHBondContact O-N 3.5Å; T191-S193 PolarHBondContact O-N 3.02Å | ||
| 192 | V | 49 | Very low | 43.9 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -69.3 | 101.2 | 165.3 | 174.1 | 0 | 0 | 0 | 0 | 106.7 | N194 | V192-N194 PolarHBondContact O-N 3Š| ||
| 193 | S | 35.3 | Very low | 44.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -88.9 | 94.3 | 169.1 | -72.7 | 0 | 0 | 0 | 0 | 109.7 | T191 S195 | T191-S193 PolarHBondContact O-N 3.02Å; S193-S195 PolarHBondContact O-N 3.25Å | ||
| 194 | N | 58.8 | Low | 44.5 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -72.5 | 106.3 | 157.7 | -98.4 | -7.8 | 0 | 0 | 0 | 108.7 | V192 | V192-N194 PolarHBondContact O-N 3Š| ||
| 195 | S | 45.8 | Very low | 45.4 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -160.1 | 70.1 | 160.9 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | S193 | S193-S195 PolarHBondContact O-N 3.25Š| ||
| 196 | C | 42.9 | Very low | 46 | Very low | 126 Ų | 126 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -86.1 | 116.9 | 155.2 | -66.2 | 0 | 0 | 0 | 0 | 107.2 | A198 | C196-A198 PolarHBondContact O-N 3.22Å; C196-A198 VanDerWaalsContact O-N 3.14Å | ||
| 197 | P | 49.3 | Very low | 46.9 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -72.2 | 109.3 | 168.1 | 28.7 | -27.8 | 0 | 0 | 0 | 107.7 | D199 | P197-D199 PolarHBondContact O-N 3.46Š| ||
| 198 | A | 51.7 | Low | 48.5 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -75.8 | 98.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | C196 | C196-A198 PolarHBondContact O-N 3.22Å; C196-A198 VanDerWaalsContact O-N 3.14Å | ||
| 199 | D | 47.3 | Very low | 49.7 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -179.4 | 108.8 | 133.7 | -155.6 | 3.2 | 0 | 0 | 0 | 110.1 | P197 | P197-D199 PolarHBondContact O-N 3.46Š| ||
| 200 | L | 49.1 | Very low | 51.4 | Low | 139 Ų | 139 | 131.9 Ų | 131.9 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | -133.3 | 100.5 | 162.4 | -91.7 | 171.3 | 0 | 0 | 0 | 107.2 | Q202 I203 | L200-Q202 PolarHBondContact O-N 3.18Å; L200-I203 HydrophobicContact CB-CD1 4.5Å | ||
| 201 | P | 50.8 | Low | 52.7 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 72.8 | 177.7 | 32.4 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 202 | Q | 45.8 | Very low | 54.6 | Low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.7 | 38.3 | 159.7 | -111.2 | 167.8 | 4.9 | 0 | 0 | 113.2 | L200 K204 | L200-Q202 PolarHBondContact O-N 3.18Å; Q202-K204 PolarHBondContact O-N 3.46Å; Q202-K204 VanDerWaalsContact O-N 3.09Å |
| 203 | I | 49.1 | Very low | 56.4 | Low | 149 Ų | 149 | 124.3 Ų | 124.3 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | -88.6 | 66.1 | 170.6 | -53.5 | 170 | 0 | 0 | 0 | 109.2 | L200 | L200-I203 HydrophobicContact CB-CD1 4.5Š| ||
| 204 | K | 48.3 | Very low | 58.7 | Low | 174 Ų | 174 | 122 Ų | 122 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | trans | -145.2 | 58.3 | 150.5 | -80.7 | -160.2 | 177.8 | -168.2 | 0 | 107.7 | Q202 E206 | Q202-K204 PolarHBondContact O-N 3.46Å; Q202-K204 VanDerWaalsContact O-N 3.09Å; K204-E206 PolarHBondContact O-N 3.18Å | ||
| 205 | R | 52.6 | Low | 60.1 | Low | 237 Ų | 237 | 119.3 Ų | 119.3 | 89% | 0.894 | 66% | 0.66 | S | S | * | * | trans | -70.3 | 83.6 | 139.1 | -97.3 | -175.1 | -94.7 | 168.1 | -6.8 | 104.4 | I207 | R205-I207 PolarHBondContact O-N 3.48Š| ||
| 206 | E | 50.4 | Low | 62 | Low | 139 Ų | 139 | 119.7 Ų | 119.7 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | trans | -48.1 | 114.6 | 157 | -70.3 | -177.2 | 174.7 | 0 | 0 | 103.8 | K204 T208 | K204-E206 PolarHBondContact O-N 3.18Å; E206-T208 PolarHBondContact O-N 2.94Å | ||
| 207 | I | 55.7 | Low | 64.4 | Low | 109 Ų | 109 | 120 Ų | 120 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | trans | -50.5 | 108.7 | 164.4 | -86.9 | 83.4 | 0 | 0 | 0 | 102.6 | R205 D209 D211 A212 | R205-I207 PolarHBondContact O-N 3.48Å; I207-D209 PolarHBondContact O-N 3.42Å; I207-D211 HydrophobicContact CG2-CB 3.95Å; I207-A212 HydrophobicContact CG2-CB 3.57Å; I207-A212 VanDerWaalsContact CG2-N 3.28Å | ||
| 208 | T | 65.9 | Low | 66.4 | Low | 81 Ų | 81 | 120 Ų | 120 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | trans | -55.6 | 142.9 | -178.1 | -43.3 | 0 | 0 | 0 | 0 | 105.7 | E206 A210 D211 A212 | E206-T208 PolarHBondContact O-N 2.94Å; T208-A210 HydrophobicContact CG2-CB 4.11Å; T208-A210 CarbonylContact O-C 3.5Å; T208-A210 PolarHBondContact O-N 3.36Å; T208-D211 VanDerWaalsContact CB-OD2 3.31Å; T208-D211 WeakPolarHBondContact CB-OD2 3.33Å; T208-D211 PolarHBondContact N-OD2 2.92Å; T208-D211 WeakPolarHBondContact O-CA 3.37Å; T208-D211 WeakPolarHBondContact O-CB 3.44Å; T208-D211 PolarHBondContact O-N 3.27Å; T208-D211 PolarHBondContact OG1-OD2 2.91Å; T208-A212 PolarHBondContact O-N 3.48Å | ||
| 209 | D | 67.9 | Low | 68.5 | Low | 122 Ų | 122 | 123 Ų | 123 | 65% | 0.652 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -50.6 | -26.7 | 175.9 | -85.4 | -15.8 | 0 | 0 | 0 | 112 | I207 K213 | I207-D209 PolarHBondContact O-N 3.42Å; D209-K213 VanDerWaalsContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact O-CD 3.09Å; D209-K213 WeakPolarHBondContact O-CG 3.38Å; D209-K213 PolarHBondContact O-N 2.77Å |
| 210 | A | 72.5 | Confident | 70.7 | Confident | 63 Ų | 63 | 122.9 Ų | 122.9 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.3 | -46.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T208 K213 A214 | T208-A210 HydrophobicContact CG2-CB 4.11Å; T208-A210 CarbonylContact O-C 3.5Å; T208-A210 PolarHBondContact O-N 3.36Å; A210-K213 PolarHBondContact O-N 2.88Å; A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.44Å; A210-A214 PolarHBondContact O-N 3.35Å |
| 211 | D | 79.3 | Confident | 73 | Confident | 82 Ų | 82 | 123.8 Ų | 123.8 | 44% | 0.439 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.7 | -38.4 | 177.6 | -59.6 | -36.5 | 0 | 0 | 0 | 111.2 | I207 T208 A214 L215 | I207-D211 HydrophobicContact CG2-CB 3.95Å; T208-D211 VanDerWaalsContact CB-OD2 3.31Å; T208-D211 WeakPolarHBondContact CB-OD2 3.33Å; T208-D211 PolarHBondContact N-OD2 2.92Å; T208-D211 WeakPolarHBondContact O-CA 3.37Å; T208-D211 WeakPolarHBondContact O-CB 3.44Å; T208-D211 PolarHBondContact O-N 3.27Å; T208-D211 PolarHBondContact OG1-OD2 2.91Å; D211-A214 PolarHBondContact O-N 3.3Å; D211-L215 WeakPolarHBondContact O-CB 3.39Å; D211-L215 VanDerWaalsContact O-CG 3.29Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 3.07Å |
| 212 | A | 79.7 | Confident | 75.1 | Confident | 41 Ų | 41 | 125.1 Ų | 125.1 | 34% | 0.339 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I207 T208 A214 L215 L216 | I207-A212 HydrophobicContact CG2-CB 3.57Å; I207-A212 VanDerWaalsContact CG2-N 3.28Å; T208-A212 PolarHBondContact O-N 3.48Å; A212-A214 VanDerWaalsContact C-N 3.32Å; A212-L215 PolarHBondContact O-N 3.31Å; A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 PolarHBondContact O-N 2.93Å |
| 213 | K | 85.7 | Confident | 77.6 | Confident | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -34.8 | 175.7 | -74 | 169 | -171 | 174.1 | 0 | 111.6 | D209 A210 K217 | D209-K213 VanDerWaalsContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact O-CB 3.28Å; D209-K213 WeakPolarHBondContact O-CD 3.09Å; D209-K213 WeakPolarHBondContact O-CG 3.38Å; D209-K213 PolarHBondContact O-N 2.77Å; A210-K213 PolarHBondContact O-N 2.88Å; K213-K217 WeakPolarHBondContact O-CB 3.47Å; K213-K217 VanDerWaalsContact O-CG 3.31Å; K213-K217 WeakPolarHBondContact O-CG 3.5Å; K213-K217 PolarHBondContact O-N 2.93Å |
| 214 | A | 83.6 | Confident | 79.9 | Confident | 53 Ų | 53 | 117.3 Ų | 117.3 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A210 D211 A212 L216 K217 E218 | A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.44Å; A210-A214 PolarHBondContact O-N 3.35Å; D211-A214 PolarHBondContact O-N 3.3Å; A212-A214 VanDerWaalsContact C-N 3.32Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.17Å; A214-K217 PolarHBondContact O-N 2.99Å; A214-E218 PolarHBondContact O-N 3.21Å |
| 215 | L | 87.9 | Confident | 82.2 | Confident | 100 Ų | 100 | 114.9 Ų | 114.9 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -36.8 | 176.3 | -70.1 | 172.1 | 0 | 0 | 0 | 112.3 | D211 A212 E218 R219 | D211-L215 WeakPolarHBondContact O-CB 3.39Å; D211-L215 VanDerWaalsContact O-CG 3.29Å; D211-L215 WeakPolarHBondContact O-CG 3.5Å; D211-L215 PolarHBondContact O-N 3.07Å; A212-L215 PolarHBondContact O-N 3.31Å; L215-E218 PolarHBondContact O-N 3.18Å; L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.33Å |
| 216 | L | 87.3 | Confident | 84.4 | Confident | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 174.8 | -174.3 | 66.9 | 0 | 0 | 0 | 111.8 | A212 A214 E218 R219 Q220 | A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 PolarHBondContact O-N 2.93Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.35Å; L216-R219 PolarHBondContact O-N 3.39Å; L216-Q220 WeakPolarHBondContact O-CB 3.48Å; L216-Q220 PolarHBondContact O-N 3.46Å |
| 217 | K | 91.7 | Very high | 86.7 | Confident | 134 Ų | 134 | 105.3 Ų | 105.3 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -38.9 | 174.3 | -75.3 | 177.7 | 179.3 | -177 | 0 | 111.5 | K213 A214 Q220 K221 | K213-K217 WeakPolarHBondContact O-CB 3.47Å; K213-K217 VanDerWaalsContact O-CG 3.31Å; K213-K217 WeakPolarHBondContact O-CG 3.5Å; K213-K217 PolarHBondContact O-N 2.93Å; A214-K217 PolarHBondContact O-N 2.99Å; K217-Q220 PolarHBondContact O-N 3.2Å; K217-K221 WeakPolarHBondContact O-CG 3.42Å; K217-K221 PolarHBondContact O-N 3.3Å |
| 218 | E | 92 | Very high | 88.7 | Confident | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175 | -174.8 | 178.8 | -170.9 | 0 | 0 | 111.4 | A214 L215 L216 Q220 K221 K222 | A214-E218 PolarHBondContact O-N 3.21Å; L215-E218 PolarHBondContact O-N 3.18Å; L216-E218 VanDerWaalsContact C-N 3.35Å; E218-Q220 PolarHBondContact O-N 2.99Å; E218-K221 PolarHBondContact O-N 2.85Å; E218-K222 PolarHBondContact O-N 3.39Å |
| 219 | R | 95.7 | Very high | 90.3 | Very high | 165 Ų | 165 | 103.3 Ų | 103.3 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -45.1 | 173 | -176.1 | 176.7 | 178.5 | -113.5 | -2.7 | 111.7 | L215 L216 K221 K222 D223 | L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.33Å; L216-R219 PolarHBondContact O-N 3.39Å; R219-K221 VanDerWaalsContact C-N 3.34Å; R219-K221 PolarHBondContact O-N 2.86Å; R219-K222 WeakPolarHBondContact O-CB 3.44Å; R219-K222 PolarHBondContact O-N 3.39Å; R219-D223 PolarHBondContact O-N 3.44Å |
| 220 | Q | 94.6 | Very high | 91.7 | Very high | 135 Ų | 135 | 104.5 Ų | 104.5 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 178.1 | -170.5 | 178.3 | 21.7 | 0 | 0 | 112.1 | L216 K217 E218 D223 N224 | L216-Q220 WeakPolarHBondContact O-CB 3.48Å; L216-Q220 PolarHBondContact O-N 3.46Å; K217-Q220 PolarHBondContact O-N 3.2Å; E218-Q220 PolarHBondContact O-N 2.99Å; Q220-D223 PolarHBondContact O-N 3.19Å; Q220-N224 VanDerWaalsContact O-CB 3.28Å; Q220-N224 WeakPolarHBondContact O-CB 3.36Å; Q220-N224 PolarHBondContact O-N 2.87Å |
| 221 | K | 95.7 | Very high | 93 | Very high | 158 Ų | 158 | 111.1 Ų | 111.1 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 173.8 | -74.6 | 176.7 | 179.9 | -175.7 | 0 | 111.3 | K217 E218 R219 N224 H225 | K217-K221 WeakPolarHBondContact O-CG 3.42Å; K217-K221 PolarHBondContact O-N 3.3Å; E218-K221 PolarHBondContact O-N 2.85Å; R219-K221 VanDerWaalsContact C-N 3.34Å; R219-K221 PolarHBondContact O-N 2.86Å; K221-N224 PolarHBondContact O-N 2.86Å; K221-H225 WeakPolarHBondContact O-CB 3.47Å; K221-H225 PolarHBondContact O-N 3.4Å |
| 222 | K | 96.4 | Very high | 93.9 | Very high | 138 Ų | 138 | 114 Ų | 114 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 175.9 | -175.9 | 177 | 178.9 | 175.8 | 0 | 112 | E218 R219 H225 N226 | E218-K222 PolarHBondContact O-N 3.39Å; R219-K222 WeakPolarHBondContact O-CB 3.44Å; R219-K222 PolarHBondContact O-N 3.39Å; K222-H225 PolarHBondContact O-N 3.42Å; K222-N226 WeakPolarHBondContact O-CB 3.49Å; K222-N226 PolarHBondContact O-N 2.96Å; K222-N226 PolarHBondContact O-ND2 3.32Å |
| 223 | D | 96.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 119 Ų | 119 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.7 | -71.2 | -21.6 | 0 | 0 | 0 | 111.5 | R219 Q220 N226 L227 | R219-D223 PolarHBondContact O-N 3.44Å; Q220-D223 PolarHBondContact O-N 3.19Å; D223-N226 PolarHBondContact O-N 3.37Å; D223-L227 WeakPolarHBondContact O-CB 3.28Å; D223-L227 PolarHBondContact O-N 3.2Å |
| 224 | N | 97.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 118.5 Ų | 118.5 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.6 | -172.3 | -91 | 0 | 0 | 0 | 111.6 | Q220 K221 N226 L227 I228 | Q220-N224 VanDerWaalsContact O-CB 3.28Å; Q220-N224 WeakPolarHBondContact O-CB 3.36Å; Q220-N224 PolarHBondContact O-N 2.87Å; K221-N224 PolarHBondContact O-N 2.86Å; N224-N226 VanDerWaalsContact C-N 3.33Å; N224-N226 PolarHBondContact O-N 3.39Å; N224-L227 WeakPolarHBondContact O-CB 3.31Å; N224-L227 PolarHBondContact O-N 3.32Å; N224-I228 WeakPolarHBondContact O-CG1 3.39Å; N224-I228 PolarHBondContact O-N 3.46Å; N224-I228 VanDerWaalsContact OD1-CD1 3.31Å; N224-I228 WeakPolarHBondContact OD1-CD1 3.38Å |
| 225 | H | 98.1 | Very high | 96.1 | Very high | 123 Ų | 123 | 120.2 Ų | 120.2 | 57% | 0.569 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.5 | -46.1 | 174.3 | 179 | 75.7 | 0 | 0 | 0 | 111.6 | K221 K222 L227 I228 E229 | K221-H225 WeakPolarHBondContact O-CB 3.47Å; K221-H225 PolarHBondContact O-N 3.4Å; K222-H225 PolarHBondContact O-N 3.42Å; H225-L227 VanDerWaalsContact C-N 3.31Å; H225-L227 PolarHBondContact O-N 2.9Å; H225-I228 PolarHBondContact O-N 2.89Å; H225-E229 WeakPolarHBondContact O-CB 3.45Å; H225-E229 PolarHBondContact O-N 3.39Å |
| 226 | N | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 118.7 Ų | 118.7 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 176.9 | -74.3 | -26.7 | 0 | 0 | 0 | 112.5 | K222 D223 N224 R230 | K222-N226 WeakPolarHBondContact O-CB 3.49Å; K222-N226 PolarHBondContact O-N 2.96Å; K222-N226 PolarHBondContact O-ND2 3.32Å; D223-N226 PolarHBondContact O-N 3.37Å; N224-N226 VanDerWaalsContact C-N 3.33Å; N224-N226 PolarHBondContact O-N 3.39Å; N226-R230 WeakPolarHBondContact O-CB 3.46Å; N226-R230 PolarHBondContact O-N 3.38Å |
| 227 | L | 98.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 115.7 Ų | 115.7 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 177.3 | 179.4 | 63.2 | 0 | 0 | 0 | 111.4 | D223 N224 H225 R230 R231 | D223-L227 WeakPolarHBondContact O-CB 3.28Å; D223-L227 PolarHBondContact O-N 3.2Å; N224-L227 WeakPolarHBondContact O-CB 3.31Å; N224-L227 PolarHBondContact O-N 3.32Å; H225-L227 VanDerWaalsContact C-N 3.31Å; H225-L227 PolarHBondContact O-N 2.9Å; L227-R230 PolarHBondContact O-N 2.86Å; L227-R231 PolarHBondContact O-N 3.46Å |
| 228 | I | 98.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 113.2 Ų | 113.2 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 177.8 | -68.1 | 171 | 0 | 0 | 0 | 110.1 | N224 H225 R230 R231 R232 | N224-I228 WeakPolarHBondContact O-CG1 3.39Å; N224-I228 PolarHBondContact O-N 3.46Å; N224-I228 VanDerWaalsContact OD1-CD1 3.31Å; N224-I228 WeakPolarHBondContact OD1-CD1 3.38Å; H225-I228 PolarHBondContact O-N 2.89Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.47Å; I228-R231 WeakPolarHBondContact O-CB 3.33Å; I228-R231 PolarHBondContact O-N 2.96Å; I228-R232 PolarHBondContact O-N 2.83Å |
| 229 | E | 98.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 113.6 Ų | 113.6 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 179.7 | 175.1 | 55.6 | -167.6 | 0 | 0 | 111.5 | H225 R231 R232 R233 | H225-E229 WeakPolarHBondContact O-CB 3.45Å; H225-E229 PolarHBondContact O-N 3.39Å; E229-R231 PolarHBondContact O-N 3.4Å; E229-R232 PolarHBondContact O-N 3.29Å; E229-R232 IonicContact OE1-NH1 3.07Å; E229-R232 PolarHBondContact OE1-NH1 3.28Å; E229-R232 IonicContact OE2-CZ 2.71Å; E229-R232 IonicContact OE2-NH1 3.56Å; E229-R232 PolarHBondContact OE2-NH1 3.02Å; E229-R232 VanDerWaalsContact OE2-NH1 3.07Å; E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 3.39Å; E229-R233 WeakPolarHBondContact OE1-CG 3.29Å; E229-R233 IonicContact OE1-CZ 3.14Å; E229-R233 IonicContact OE1-NE 3.73Å; E229-R233 PolarHBondContact OE1-NE 3.19Å; E229-R233 IonicContact OE1-NH2 4Å; E229-R233 PolarHBondContact OE1-NH2 2.91Å |
| 230 | R | 98.6 | Very high | 97.9 | Very high | 147 Ų | 147 | 106.7 Ų | 106.7 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 173.3 | -177.1 | -179.7 | -65.6 | 145.6 | -0.2 | 111.2 | N226 L227 I228 R232 R233 F234 | N226-R230 WeakPolarHBondContact O-CB 3.46Å; N226-R230 PolarHBondContact O-N 3.38Å; L227-R230 PolarHBondContact O-N 2.86Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.47Å; R230-R232 VanDerWaalsContact C-N 3.35Å; R230-R232 PolarHBondContact O-N 3.14Å; R230-R233 PolarHBondContact O-N 2.94Å; R230-F234 HydrophobicContact CG-CD2 3.68Å; R230-F234 HydrophobicContact CG-CE2 3.27Å; R230-F234 HydrophobicContact CG-CZ 4.19Å; R230-F234 WeakPolarHBondContact O-CD2 3.46Å; R230-F234 PolarHBondContact O-N 2.88Å |
| 231 | R | 98.6 | Very high | 98 | Very high | 203 Ų | 203 | 106.8 Ų | 106.8 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 176.3 | -173 | 178 | -178.2 | -178.2 | 0.5 | 111.7 | L227 I228 E229 F234 N235 | L227-R231 PolarHBondContact O-N 3.46Å; I228-R231 WeakPolarHBondContact O-CB 3.33Å; I228-R231 PolarHBondContact O-N 2.96Å; E229-R231 PolarHBondContact O-N 3.4Å; R231-F234 PolarHBondContact O-N 3.22Å; R231-N235 PolarHBondContact O-N 3.1Å |
| 232 | R | 98.5 | Very high | 98.1 | Very high | 141 Ų | 141 | 103.5 Ų | 103.5 | 53% | 0.532 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.4 | 176.5 | 176 | 166.9 | -83.6 | -5.6 | 111.6 | I228 E229 R230 F234 N235 I236 | I228-R232 PolarHBondContact O-N 2.83Å; E229-R232 PolarHBondContact O-N 3.29Å; E229-R232 IonicContact OE1-NH1 3.07Å; E229-R232 PolarHBondContact OE1-NH1 3.28Å; E229-R232 IonicContact OE2-CZ 2.71Å; E229-R232 IonicContact OE2-NH1 3.56Å; E229-R232 PolarHBondContact OE2-NH1 3.02Å; E229-R232 VanDerWaalsContact OE2-NH1 3.07Å; R230-R232 VanDerWaalsContact C-N 3.35Å; R230-R232 PolarHBondContact O-N 3.14Å; R232-F234 PolarHBondContact O-N 2.68Å; R232-N235 PolarHBondContact O-N 2.86Å; R232-I236 HydrophobicContact CG-CD1 4.08Å; R232-I236 WeakPolarHBondContact O-CG1 3.39Å; R232-I236 PolarHBondContact O-N 2.95Å |
| 233 | R | 98.6 | Very high | 98.1 | Very high | 148 Ų | 148 | 99.8 Ų | 99.8 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 177.3 | -72.6 | 176.5 | -173.9 | -170.6 | 4.1 | 112.5 | E229 R230 I236 N237 | E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 3.39Å; E229-R233 WeakPolarHBondContact OE1-CG 3.29Å; E229-R233 IonicContact OE1-CZ 3.14Å; E229-R233 IonicContact OE1-NE 3.73Å; E229-R233 PolarHBondContact OE1-NE 3.19Å; E229-R233 IonicContact OE1-NH2 4Å; E229-R233 PolarHBondContact OE1-NH2 2.91Å; R230-R233 PolarHBondContact O-N 2.94Å; R233-I236 PolarHBondContact O-N 3.33Å; R233-N237 WeakPolarHBondContact O-CB 3.43Å; R233-N237 PolarHBondContact O-N 3.48Å; R233-N237 PolarHBondContact O-ND2 3.49Å; R233-N237 PolarHBondContact O-OD1 3.03Å |
| 234 | F | 98.6 | Very high | 98 | Very high | 118 Ų | 118 | 96.6 Ų | 96.6 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 174.9 | -77.6 | -59.3 | 0 | 0 | 0 | 111.6 | R230 R231 R232 I236 N237 D238 | R230-F234 HydrophobicContact CG-CD2 3.68Å; R230-F234 HydrophobicContact CG-CE2 3.27Å; R230-F234 HydrophobicContact CG-CZ 4.19Å; R230-F234 WeakPolarHBondContact O-CD2 3.46Å; R230-F234 PolarHBondContact O-N 2.88Å; R231-F234 PolarHBondContact O-N 3.22Å; R232-F234 PolarHBondContact O-N 2.68Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.21Å; F234-N237 PolarHBondContact O-N 2.96Å; F234-N237 VanDerWaalsContact O-N 3.12Å; F234-D238 PolarHBondContact O-N 2.87Å |
| 235 | N | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 97 Ų | 97 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 179 | -170.2 | -100.3 | 0 | 0 | 0 | 112.3 | R231 R232 N237 D238 R239 | R231-N235 PolarHBondContact O-N 3.1Å; R232-N235 PolarHBondContact O-N 2.86Å; N235-N237 PolarHBondContact O-N 3.01Å; N235-D238 PolarHBondContact O-N 3.4Å; N235-R239 WeakPolarHBondContact O-CG 3.4Å; N235-R239 PolarHBondContact O-N 2.79Å |
| 236 | I | 98.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 96.5 Ų | 96.5 | 35% | 0.354 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.7 | -67.1 | 168 | 0 | 0 | 0 | 111 | R232 R233 F234 D238 R239 I240 | R232-I236 HydrophobicContact CG-CD1 4.08Å; R232-I236 WeakPolarHBondContact O-CG1 3.39Å; R232-I236 PolarHBondContact O-N 2.95Å; R233-I236 PolarHBondContact O-N 3.33Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.21Å; I236-D238 VanDerWaalsContact C-N 3.28Å; I236-D238 PolarHBondContact O-N 2.96Å; I236-R239 PolarHBondContact O-N 3.27Å; I236-I240 HydrophobicContact CG2-CD1 3.96Å; I236-I240 WeakPolarHBondContact O-CG1 3.46Å; I236-I240 PolarHBondContact O-N 2.82Å |
| 237 | N | 98.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 93.8 Ų | 93.8 | 24% | 0.235 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 180 | -68 | -20 | 0 | 0 | 0 | 112 | R233 F234 N235 I240 K241 K262 | R233-N237 WeakPolarHBondContact O-CB 3.43Å; R233-N237 PolarHBondContact O-N 3.48Å; R233-N237 PolarHBondContact O-ND2 3.49Å; R233-N237 PolarHBondContact O-OD1 3.03Å; F234-N237 PolarHBondContact O-N 2.96Å; F234-N237 VanDerWaalsContact O-N 3.12Å; N235-N237 PolarHBondContact O-N 3.01Å; N237-I240 PolarHBondContact O-N 2.98Å; N237-K241 WeakPolarHBondContact O-CG 3.25Å; N237-K241 PolarHBondContact O-N 2.88Å; N237-K262 VanDerWaalsContact OD1-CE 3.28Å; N237-K262 WeakPolarHBondContact OD1-CE 3.31Å; N237-K262 PolarHBondContact OD1-NZ 3.36Å |
| 238 | D | 98.4 | Very high | 97.2 | Very high | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 178.8 | -70.7 | -11.8 | 0 | 0 | 0 | 111.4 | F234 N235 I236 I240 K241 E242 | F234-D238 PolarHBondContact O-N 2.87Å; N235-D238 PolarHBondContact O-N 3.4Å; I236-D238 VanDerWaalsContact C-N 3.28Å; I236-D238 PolarHBondContact O-N 2.96Å; D238-I240 VanDerWaalsContact C-N 3.32Å; D238-I240 PolarHBondContact O-N 3.4Å; D238-K241 PolarHBondContact O-N 3.11Å; D238-K241 VanDerWaalsContact O-N 3.16Å; D238-E242 WeakPolarHBondContact O-CB 3.38Å; D238-E242 PolarHBondContact O-N 3.38Å |
| 239 | R | 98.6 | Very high | 96.3 | Very high | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 173.7 | -64.2 | -59.8 | 168.2 | -169.3 | -1 | 112.4 | N235 I236 E242 L243 | N235-R239 WeakPolarHBondContact O-CG 3.4Å; N235-R239 PolarHBondContact O-N 2.79Å; I236-R239 PolarHBondContact O-N 3.27Å; R239-E242 WeakPolarHBondContact CD-OE2 3.32Å; R239-E242 IonicContact CZ-OE2 3.51Å; R239-E242 IonicContact NE-OE2 2.77Å; R239-E242 IonicContact NH1-OE1 3.3Å; R239-E242 IonicContact NH1-OE2 3.35Å; R239-E242 PolarHBondContact NH1-OE2 2.79Å; R239-E242 PolarHBondContact O-N 3.45Å; R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.03Å |
| 240 | I | 98 | Very high | 94.6 | Very high | 19 Ų | 19 | 96.7 Ų | 96.7 | 10% | 0.097 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.7 | -65.6 | 169.5 | 0 | 0 | 0 | 110.7 | I236 N237 D238 L243 G244 K262 I265 L266 | I236-I240 HydrophobicContact CG2-CD1 3.96Å; I236-I240 WeakPolarHBondContact O-CG1 3.46Å; I236-I240 PolarHBondContact O-N 2.82Å; N237-I240 PolarHBondContact O-N 2.98Å; D238-I240 VanDerWaalsContact C-N 3.32Å; D238-I240 PolarHBondContact O-N 3.4Å; I240-L243 PolarHBondContact O-N 3.38Å; I240-G244 PolarHBondContact O-N 2.96Å; I240-G244 VanDerWaalsContact O-N 3.1Å; I240-K262 HydrophobicContact CD1-CB 4.34Å; I240-K262 HydrophobicContact CD1-CD 4.16Å; I240-K262 HydrophobicContact CD1-CG 4.33Å; I240-K262 HydrophobicContact CG2-CB 4.19Å; I240-K262 HydrophobicContact CG2-CG 4.16Å; I240-I265 HydrophobicContact CG2-CB 4.2Å; I240-I265 HydrophobicContact CG2-CD1 4.06Å; I240-I265 HydrophobicContact CG2-CG2 4.08Å; I240-I265 WeakPolarHBondContact O-CG2 3.46Å; I240-L266 HydrophobicContact CD1-CD1 4.41Å; I240-L266 HydrophobicContact CG1-CD2 4.25Å |
| 241 | K | 96.6 | Very high | 92.6 | Very high | 138 Ų | 138 | 95 Ų | 95 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 175.8 | -73.3 | 173.4 | -177.5 | 174.8 | 0 | 112.2 | N237 D238 G244 T245 | N237-K241 WeakPolarHBondContact O-CG 3.25Å; N237-K241 PolarHBondContact O-N 2.88Å; D238-K241 PolarHBondContact O-N 3.11Å; D238-K241 VanDerWaalsContact O-N 3.16Å; K241-G244 WeakPolarHBondContact O-CA 3.49Å; K241-G244 PolarHBondContact O-N 2.96Å; K241-G244 VanDerWaalsContact O-N 3.11Å; K241-T245 PolarHBondContact O-N 3.42Å |
| 242 | E | 97.6 | Very high | 90.7 | Very high | 89 Ų | 89 | 90 Ų | 90 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.7 | -177.1 | -178.8 | -168.6 | 0 | 0 | 111 | D238 R239 G244 T245 L246 | D238-E242 WeakPolarHBondContact O-CB 3.38Å; D238-E242 PolarHBondContact O-N 3.38Å; R239-E242 WeakPolarHBondContact CD-OE2 3.32Å; R239-E242 IonicContact CZ-OE2 3.51Å; R239-E242 IonicContact NE-OE2 2.77Å; R239-E242 IonicContact NH1-OE1 3.3Å; R239-E242 IonicContact NH1-OE2 3.35Å; R239-E242 PolarHBondContact NH1-OE2 2.79Å; R239-E242 PolarHBondContact O-N 3.45Å; E242-G244 PolarHBondContact O-N 2.73Å; E242-T245 WeakPolarHBondContact O-CB 3.49Å; E242-T245 PolarHBondContact O-N 3.28Å; E242-T245 PolarHBondContact O-OG1 3.39Å; E242-L246 PolarHBondContact O-N 3Å |
| 243 | L | 97.7 | Very high | 88.8 | Confident | 60 Ų | 60 | 87.7 Ų | 87.7 | 31% | 0.314 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.7 | -43.4 | 172.5 | -71 | 174.7 | 0 | 0 | 0 | 111.6 | R239 I240 T245 L246 I247 I265 L266 | R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.03Å; I240-L243 PolarHBondContact O-N 3.38Å; L243-T245 PolarHBondContact O-N 3.19Å; L243-T245 VanDerWaalsContact O-N 3.1Å; L243-L246 PolarHBondContact O-N 3.2Å; L243-I247 WeakPolarHBondContact O-CD1 3.19Å; L243-I247 VanDerWaalsContact O-CG1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 2.69Å; L243-I265 HydrophobicContact CB-CG2 3.94Å; L243-L266 HydrophobicContact CD1-CD2 4.11Å |
| 244 | G | 94.5 | Very high | 86.8 | Confident | 8 Ų | 8 | 87.2 Ų | 87.2 | 8% | 0.082 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.9 | -17.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I240 K241 E242 K249 | I240-G244 PolarHBondContact O-N 2.96Å; I240-G244 VanDerWaalsContact O-N 3.1Å; K241-G244 WeakPolarHBondContact O-CA 3.49Å; K241-G244 PolarHBondContact O-N 2.96Å; K241-G244 VanDerWaalsContact O-N 3.11Å; E242-G244 PolarHBondContact O-N 2.73Å; G244-K249 VanDerWaalsContact O-CE 3.28Å; G244-K249 WeakPolarHBondContact O-CE 3.49Å |
| 245 | T | 94.6 | Very high | 84.7 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -87.9 | -25.5 | 173.5 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | K241 E242 L243 | K241-T245 PolarHBondContact O-N 3.42Å; E242-T245 WeakPolarHBondContact O-CB 3.49Å; E242-T245 PolarHBondContact O-N 3.28Å; E242-T245 PolarHBondContact O-OG1 3.39Å; L243-T245 PolarHBondContact O-N 3.19Å; L243-T245 VanDerWaalsContact O-N 3.1Å |
| 246 | L | 95.9 | Very high | 82.8 | Confident | 112 Ų | 112 | 93.3 Ų | 93.3 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -86.3 | -21.2 | -178.3 | -61.6 | 176.2 | 0 | 0 | 0 | 113.1 | E242 L243 | E242-L246 PolarHBondContact O-N 3Å; L243-L246 PolarHBondContact O-N 3.2Å |
| 247 | I | 93.8 | Very high | 80.8 | Confident | 13 Ų | 13 | 98.3 Ų | 98.3 | 7% | 0.067 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -78.3 | 130.5 | -179.1 | -60.4 | 157.7 | 0 | 0 | 0 | 109.7 | L243 K249 W260 I265 A268 S269 | L243-I247 WeakPolarHBondContact O-CD1 3.19Å; L243-I247 VanDerWaalsContact O-CG1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 2.69Å; I247-K249 PolarHBondContact O-N 3.09Å; I247-W260 HydrophobicContact CD1-CZ3 4.29Å; I247-W260 HydrophobicContact CG2-CH2 3.96Å; I247-W260 HydrophobicContact CG2-CZ3 4.27Å; I247-I265 HydrophobicContact CD1-CG2 3.87Å; I247-I265 VanDerWaalsContact CD1-O 3.27Å; I247-I265 WeakPolarHBondContact CD1-O 3.1Å; I247-A268 HydrophobicContact CD1-CB 4.09Å; I247-A268 HydrophobicContact CG2-CB 3.85Å; I247-S269 WeakPolarHBondContact CD1-OG 3.28Å |
| 248 | P | 91.2 | Very high | 79.4 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | trans | -58.1 | 127.6 | 173.6 | -23.6 | 33.5 | 0 | 0 | 0 | 111.7 | Y272 | P248-Y272 HydrophobicContact CG-CD2 4Å; P248-Y272 HydrophobicContact CG-CE1 4.32Å; P248-Y272 HydrophobicContact CG-CE2 3.56Å | ||
| 249 | K | 78.6 | Confident | 78.4 | Confident | 137 Ų | 137 | 104.6 Ų | 104.6 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | trans | -96 | -7.1 | -175 | -60.1 | -175.8 | -179.4 | 177.9 | 0 | 114.2 | G244 I247 W260 | G244-K249 VanDerWaalsContact O-CE 3.28Å; G244-K249 WeakPolarHBondContact O-CE 3.49Å; I247-K249 PolarHBondContact O-N 3.09Å; K249-W260 HydrophobicContact CB-CZ2 4.41Å; K249-W260 HydrophobicContact CG-CZ2 4Å | ||
| 250 | S | 62.8 | Low | 77.8 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | trans | -118.2 | 89.3 | -166.7 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 251 | S | 56.3 | Low | 77.6 | Confident | 112 Ų | 112 | 106 Ų | 106 | 78% | 0.783 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -161.1 | 18.6 | 150.2 | 76.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 252 | D | 58.3 | Low | 77.5 | Confident | 97 Ų | 97 | 104.9 Ų | 104.9 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -119.5 | 141.1 | 170.9 | -81.2 | -30.3 | 0 | 0 | 0 | 108.7 | M258 | D252-M258 WeakPolarHBondContact OD2-CE 3.33Š|
| 253 | P | 58.4 | Low | 77.4 | Confident | 92 Ų | 92 | 103 Ų | 103 | 60% | 0.597 | 55% | 0.548 | S | S | * | . | trans | -52.1 | 150.8 | -179.9 | -23.6 | 31.2 | 0 | 0 | 0 | 112.2 | D255 R256 | P253-D255 PolarHBondContact O-N 2.96Å; P253-R256 PolarHBondContact O-N 3.47Å | ||
| 254 | P | 57.3 | Low | 77.2 | Confident | 139 Ų | 139 | 102.8 Ų | 102.8 | 90% | 0.903 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -0.4 | -176.1 | 25.8 | -35.5 | 0 | 0 | 0 | 115.2 | ||
| 255 | D | 55.2 | Low | 77.3 | Confident | 159 Ų | 159 | 103.1 Ų | 103.1 | 85% | 0.85 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -10 | -175.5 | -142.5 | 19 | 0 | 0 | 0 | 113.6 | P253 E257 | P253-D255 PolarHBondContact O-N 2.96Å; D255-E257 PolarHBondContact O-N 3.34Å |
| 256 | R | 57.5 | Low | 77.4 | Confident | 176 Ų | 176 | 102 Ų | 102 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -95.5 | 90.1 | 163.6 | -165 | 174.6 | -117.7 | -120.8 | 2.9 | 106.6 | P253 M258 | P253-R256 PolarHBondContact O-N 3.47Å; R256-M258 HydrophobicContact CG-SD 4.16Å; R256-M258 PolarHBondContact O-N 3.49Å |
| 257 | E | 57.3 | Low | 77.4 | Confident | 173 Ų | 173 | 103.2 Ų | 103.2 | 81% | 0.808 | 54% | 0.539 | S | S | * | . | trans | -58.7 | 85.6 | 168.9 | -166.2 | 176.1 | -149.7 | 0 | 0 | 107.7 | D255 R259 | D255-E257 PolarHBondContact O-N 3.34Å; E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 2.95Å | ||
| 258 | M | 68.6 | Low | 77.4 | Confident | 75 Ų | 75 | 103.9 Ų | 103.9 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | trans | -73.3 | 92 | -169.9 | -160.9 | 73.9 | 115.8 | 0 | 0 | 106.2 | D252 R256 W260 | D252-M258 WeakPolarHBondContact OD2-CE 3.33Å; R256-M258 HydrophobicContact CG-SD 4.16Å; R256-M258 PolarHBondContact O-N 3.49Å; M258-W260 PolarHBondContact O-N 3.44Å; M258-W260 PolarHBondContact O-NE1 3.22Å | ||
| 259 | R | 77.8 | Confident | 77.7 | Confident | 184 Ų | 184 | 101.1 Ų | 101.1 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | trans | -65.2 | 108.8 | 179.6 | -64.7 | -179.2 | 73.4 | -168.1 | 5 | 108.1 | E257 N261 T264 | E257-R259 VanDerWaalsContact C-N 3.29Å; E257-R259 PolarHBondContact O-N 2.95Å; R259-N261 VanDerWaalsContact C-N 3.35Å; R259-N261 VanDerWaalsContact C-OD1 3.25Å; R259-N261 WeakPolarHBondContact CB-OD1 3.12Å; R259-N261 PolarHBondContact O-N 3.37Å; R259-N261 PolarHBondContact O-OD1 3.35Å; R259-T264 PolarHBondContact O-OG1 3.41Å | ||
| 260 | W | 86 | Confident | 78.6 | Confident | 99 Ų | 99 | 97.8 Ų | 97.8 | 38% | 0.375 | 52% | 0.52 | S | S | . | . | trans | -76.7 | 89.7 | 178.8 | -69.3 | 97.5 | 0 | 0 | 0 | 109.4 | I247 K249 M258 I265 A268 | I247-W260 HydrophobicContact CD1-CZ3 4.29Å; I247-W260 HydrophobicContact CG2-CH2 3.96Å; I247-W260 HydrophobicContact CG2-CZ3 4.27Å; K249-W260 HydrophobicContact CB-CZ2 4.41Å; K249-W260 HydrophobicContact CG-CZ2 4Å; M258-W260 PolarHBondContact O-N 3.44Å; M258-W260 PolarHBondContact O-NE1 3.22Å; W260-I265 HydrophobicContact CB-CD1 4.32Å; W260-I265 HydrophobicContact CB-CG1 4.19Å; W260-I265 HydrophobicContact CD2-CG1 4.48Å; W260-I265 HydrophobicContact CE3-CG1 3.64Å; W260-I265 HydrophobicContact CZ3-CG1 4.44Å; W260-A268 HydrophobicContact CH2-CB 4.48Å; W260-A268 HydrophobicContact CZ3-CB 4.08Å | ||
| 261 | N | 93.9 | Very high | 80.2 | Confident | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | trans | -96.9 | 162 | 177.1 | -51.5 | -1 | 0 | 0 | 0 | 107.7 | R259 G263 T264 I265 | R259-N261 VanDerWaalsContact C-N 3.35Å; R259-N261 VanDerWaalsContact C-OD1 3.25Å; R259-N261 WeakPolarHBondContact CB-OD1 3.12Å; R259-N261 PolarHBondContact O-N 3.37Å; R259-N261 PolarHBondContact O-OD1 3.35Å; N261-G263 PolarHBondContact O-N 3.49Å; N261-G263 VanDerWaalsContact O-N 3.14Å; N261-T264 PolarHBondContact N-OG1 2.93Å; N261-T264 PolarHBondContact O-N 2.92Å; N261-T264 VanDerWaalsContact O-N 3.1Å; N261-T264 PolarHBondContact O-OG1 2.9Å; N261-I265 WeakPolarHBondContact O-CG1 3.31Å; N261-I265 PolarHBondContact O-N 2.9Å | ||
| 262 | K | 94.8 | Very high | 82.2 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.1 | -41.9 | 176 | -62.1 | -174.7 | -170.9 | 178 | 0 | 112.2 | N237 I240 L266 | N237-K262 VanDerWaalsContact OD1-CE 3.28Å; N237-K262 WeakPolarHBondContact OD1-CE 3.31Å; N237-K262 PolarHBondContact OD1-NZ 3.36Å; I240-K262 HydrophobicContact CD1-CB 4.34Å; I240-K262 HydrophobicContact CD1-CD 4.16Å; I240-K262 HydrophobicContact CD1-CG 4.33Å; I240-K262 HydrophobicContact CG2-CB 4.19Å; I240-K262 HydrophobicContact CG2-CG 4.16Å; K262-L266 WeakPolarHBondContact O-CB 3.45Å; K262-L266 WeakPolarHBondContact O-CG 3.4Å; K262-L266 PolarHBondContact O-N 2.98Å; K262-L266 VanDerWaalsContact O-N 3.07Å |
| 263 | G | 95.8 | Very high | 84.1 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | N261 L266 K267 | N261-G263 PolarHBondContact O-N 3.49Å; N261-G263 VanDerWaalsContact O-N 3.14Å; G263-L266 PolarHBondContact O-N 3.04Å; G263-K267 WeakPolarHBondContact O-CB 3.36Å; G263-K267 PolarHBondContact O-N 2.86Å |
| 264 | T | 93.6 | Very high | 86 | Confident | 55 Ų | 55 | 95.7 Ų | 95.7 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72 | -36.6 | -178.9 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | R259 N261 K267 A268 | R259-T264 PolarHBondContact O-OG1 3.41Å; N261-T264 PolarHBondContact N-OG1 2.93Å; N261-T264 PolarHBondContact O-N 2.92Å; N261-T264 VanDerWaalsContact O-N 3.1Å; N261-T264 PolarHBondContact O-OG1 2.9Å; T264-K267 PolarHBondContact O-N 2.98Å; T264-A268 VanDerWaalsContact O-CB 3.29Å; T264-A268 WeakPolarHBondContact O-CB 3.23Å; T264-A268 PolarHBondContact O-N 3.2Å |
| 265 | I | 94.9 | Very high | 87.8 | Confident | 14 Ų | 14 | 95.2 Ų | 95.2 | 7% | 0.072 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 171.9 | -65.4 | 166.2 | 0 | 0 | 0 | 110.7 | I240 L243 I247 W260 N261 A268 S269 | I240-I265 HydrophobicContact CG2-CB 4.2Å; I240-I265 HydrophobicContact CG2-CD1 4.06Å; I240-I265 HydrophobicContact CG2-CG2 4.08Å; I240-I265 WeakPolarHBondContact O-CG2 3.46Å; L243-I265 HydrophobicContact CB-CG2 3.94Å; I247-I265 HydrophobicContact CD1-CG2 3.87Å; I247-I265 VanDerWaalsContact CD1-O 3.27Å; I247-I265 WeakPolarHBondContact CD1-O 3.1Å; W260-I265 HydrophobicContact CB-CD1 4.32Å; W260-I265 HydrophobicContact CB-CG1 4.19Å; W260-I265 HydrophobicContact CD2-CG1 4.48Å; W260-I265 HydrophobicContact CE3-CG1 3.64Å; W260-I265 HydrophobicContact CZ3-CG1 4.44Å; N261-I265 WeakPolarHBondContact O-CG1 3.31Å; N261-I265 PolarHBondContact O-N 2.9Å; I265-A268 PolarHBondContact O-N 3.35Å; I265-S269 WeakPolarHBondContact O-CB 3.46Å; I265-S269 PolarHBondContact O-N 3.15Å; I265-S269 PolarHBondContact O-OG 3.46Å |
| 266 | L | 97.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 91.2 Ų | 91.2 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | -179.9 | -71.5 | 172.7 | 0 | 0 | 0 | 111.6 | I240 L243 K262 G263 S269 V270 | I240-L266 HydrophobicContact CD1-CD1 4.41Å; I240-L266 HydrophobicContact CG1-CD2 4.25Å; L243-L266 HydrophobicContact CD1-CD2 4.11Å; K262-L266 WeakPolarHBondContact O-CB 3.45Å; K262-L266 WeakPolarHBondContact O-CG 3.4Å; K262-L266 PolarHBondContact O-N 2.98Å; K262-L266 VanDerWaalsContact O-N 3.07Å; G263-L266 PolarHBondContact O-N 3.04Å; L266-S269 WeakPolarHBondContact O-CB 3.38Å; L266-S269 PolarHBondContact O-N 3.49Å; L266-V270 WeakPolarHBondContact O-CG2 3.48Å; L266-V270 PolarHBondContact O-N 3.32Å |
| 267 | K | 95.2 | Very high | 91.8 | Very high | 138 Ų | 138 | 88.4 Ų | 88.4 | 60% | 0.6 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.7 | -51.4 | 176.1 | -179.8 | 173.1 | 171.2 | 55.6 | 0 | 111.4 | G263 T264 S269 V270 D271 | G263-K267 WeakPolarHBondContact O-CB 3.36Å; G263-K267 PolarHBondContact O-N 2.86Å; T264-K267 PolarHBondContact O-N 2.98Å; K267-S269 VanDerWaalsContact C-N 3.28Å; K267-S269 PolarHBondContact O-N 3.24Å; K267-V270 PolarHBondContact O-N 3.5Å; K267-D271 IonicContact NZ-OD2 2.7Å; K267-D271 PolarHBondContact O-N 2.92Å |
| 268 | A | 94 | Very high | 93.8 | Very high | 27 Ų | 27 | 88.2 Ų | 88.2 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65 | -32.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I247 W260 T264 I265 Y272 | I247-A268 HydrophobicContact CD1-CB 4.09Å; I247-A268 HydrophobicContact CG2-CB 3.85Å; W260-A268 HydrophobicContact CH2-CB 4.48Å; W260-A268 HydrophobicContact CZ3-CB 4.08Å; T264-A268 VanDerWaalsContact O-CB 3.29Å; T264-A268 WeakPolarHBondContact O-CB 3.23Å; T264-A268 PolarHBondContact O-N 3.2Å; I265-A268 PolarHBondContact O-N 3.35Å; A268-Y272 WeakPolarHBondContact O-CB 3.4Å; A268-Y272 PolarHBondContact O-N 3.1Å |
| 269 | S | 97.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 89.9 Ų | 89.9 | 7% | 0.07 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 172.8 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | I247 I265 L266 K267 Y272 I273 | I247-S269 WeakPolarHBondContact CD1-OG 3.28Å; I265-S269 WeakPolarHBondContact O-CB 3.46Å; I265-S269 PolarHBondContact O-N 3.15Å; I265-S269 PolarHBondContact O-OG 3.46Å; L266-S269 WeakPolarHBondContact O-CB 3.38Å; L266-S269 PolarHBondContact O-N 3.49Å; K267-S269 VanDerWaalsContact C-N 3.28Å; K267-S269 PolarHBondContact O-N 3.24Å; S269-Y272 PolarHBondContact O-N 3.28Å; S269-I273 VanDerWaalsContact O-CG1 3.28Å; S269-I273 WeakPolarHBondContact O-CG1 3.32Å; S269-I273 PolarHBondContact O-N 3.5Å |
| 270 | V | 98.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 87 Ų | 87 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L266 K267 Y272 I273 R274 | L266-V270 WeakPolarHBondContact O-CG2 3.48Å; L266-V270 PolarHBondContact O-N 3.32Å; K267-V270 PolarHBondContact O-N 3.5Å; V270-Y272 VanDerWaalsContact C-N 3.3Å; V270-Y272 PolarHBondContact O-N 2.86Å; V270-I273 PolarHBondContact O-N 3.02Å; V270-R274 WeakPolarHBondContact O-CG 3.34Å; V270-R274 PolarHBondContact O-N 2.89Å |
| 271 | D | 96.5 | Very high | 96.7 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 34% | 0.342 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 178.8 | -67.1 | -24.4 | 0 | 0 | 0 | 111.2 | K267 R274 K275 | K267-D271 IonicContact NZ-OD2 2.7Å; K267-D271 PolarHBondContact O-N 2.92Å; D271-R274 PolarHBondContact O-N 3.28Å; D271-R274 IonicContact OD1-NH1 3.68Å; D271-R274 PolarHBondContact OD1-NH1 3.37Å; D271-K275 WeakPolarHBondContact O-CB 3.39Å; D271-K275 PolarHBondContact O-N 3.11Å |
| 272 | Y | 97.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 91.5 Ų | 91.5 | 27% | 0.271 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 176 | -174.1 | -130.1 | 0 | 0 | 0 | 112.9 | P248 A268 S269 V270 R274 K275 L276 | P248-Y272 HydrophobicContact CG-CD2 4Å; P248-Y272 HydrophobicContact CG-CE1 4.32Å; P248-Y272 HydrophobicContact CG-CE2 3.56Å; A268-Y272 WeakPolarHBondContact O-CB 3.4Å; A268-Y272 PolarHBondContact O-N 3.1Å; S269-Y272 PolarHBondContact O-N 3.28Å; V270-Y272 VanDerWaalsContact C-N 3.3Å; V270-Y272 PolarHBondContact O-N 2.86Å; Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 3.46Å; Y272-K275 HydrophobicContact CD2-CD 4.46Å; Y272-K275 WeakPolarHBondContact O-CB 3.45Å; Y272-K275 PolarHBondContact O-N 2.99Å; Y272-L276 HydrophobicContact CD1-CD1 3.99Å; Y272-L276 HydrophobicContact CD2-CD1 4.5Å; Y272-L276 HydrophobicContact CD2-CG 4.22Å; Y272-L276 HydrophobicContact CE1-CD1 3.56Å; Y272-L276 HydrophobicContact CE1-CG 4.22Å; Y272-L276 HydrophobicContact CE2-CD1 4.1Å; Y272-L276 HydrophobicContact CE2-CD2 4Å; Y272-L276 HydrophobicContact CE2-CG 3.82Å; Y272-L276 HydrophobicContact CG-CD1 4.44Å; Y272-L276 WeakPolarHBondContact O-CG 3.25Å; Y272-L276 PolarHBondContact O-N 3.38Å |
| 273 | I | 98.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 88.9 Ų | 88.9 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.9 | -70.5 | 164.8 | 0 | 0 | 0 | 110.4 | S269 V270 K275 L276 Q277 | S269-I273 VanDerWaalsContact O-CG1 3.28Å; S269-I273 WeakPolarHBondContact O-CG1 3.32Å; S269-I273 PolarHBondContact O-N 3.5Å; V270-I273 PolarHBondContact O-N 3.02Å; I273-K275 VanDerWaalsContact C-N 3.32Å; I273-K275 PolarHBondContact O-N 3.25Å; I273-L276 PolarHBondContact O-N 3.3Å; I273-Q277 HydrophobicContact CG2-CG 4.44Å; I273-Q277 VanDerWaalsContact O-CG 3.31Å; I273-Q277 WeakPolarHBondContact O-CG 3.17Å; I273-Q277 PolarHBondContact O-N 3.44Å |
| 274 | R | 98.3 | Very high | 97.2 | Very high | 144 Ų | 144 | 91.7 Ų | 91.7 | 54% | 0.543 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.6 | -68.6 | -179.8 | -168.7 | 133.8 | -4.8 | 111.9 | V270 D271 Y272 Q277 K278 | V270-R274 WeakPolarHBondContact O-CG 3.34Å; V270-R274 PolarHBondContact O-N 2.89Å; D271-R274 PolarHBondContact O-N 3.28Å; D271-R274 IonicContact OD1-NH1 3.68Å; D271-R274 PolarHBondContact OD1-NH1 3.37Å; Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 3.46Å; R274-Q277 PolarHBondContact O-N 3.28Å; R274-K278 PolarHBondContact O-N 2.69Å |
| 275 | K | 97.1 | Very high | 97.4 | Very high | 129 Ų | 129 | 93 Ų | 93 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.4 | -50.1 | 175.3 | -178.6 | -176.3 | 173.2 | -177.7 | 0 | 110.9 | D271 Y272 I273 Q277 K278 E279 | D271-K275 WeakPolarHBondContact O-CB 3.39Å; D271-K275 PolarHBondContact O-N 3.11Å; Y272-K275 HydrophobicContact CD2-CD 4.46Å; Y272-K275 WeakPolarHBondContact O-CB 3.45Å; Y272-K275 PolarHBondContact O-N 2.99Å; I273-K275 VanDerWaalsContact C-N 3.32Å; I273-K275 PolarHBondContact O-N 3.25Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.35Å; K275-K278 PolarHBondContact O-N 2.9Å; K275-E279 WeakPolarHBondContact O-CB 3.25Å; K275-E279 PolarHBondContact O-N 3.44Å |
| 276 | L | 98.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 179.1 | -74.6 | 176.4 | 0 | 0 | 0 | 112.5 | Y272 I273 E279 Q280 | Y272-L276 HydrophobicContact CD1-CD1 3.99Å; Y272-L276 HydrophobicContact CD2-CD1 4.5Å; Y272-L276 HydrophobicContact CD2-CG 4.22Å; Y272-L276 HydrophobicContact CE1-CD1 3.56Å; Y272-L276 HydrophobicContact CE1-CG 4.22Å; Y272-L276 HydrophobicContact CE2-CD1 4.1Å; Y272-L276 HydrophobicContact CE2-CD2 4Å; Y272-L276 HydrophobicContact CE2-CG 3.82Å; Y272-L276 HydrophobicContact CG-CD1 4.44Å; Y272-L276 WeakPolarHBondContact O-CG 3.25Å; Y272-L276 PolarHBondContact O-N 3.38Å; I273-L276 PolarHBondContact O-N 3.3Å; L276-E279 PolarHBondContact O-N 2.99Å; L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.44Å |
| 277 | Q | 98.3 | Very high | 97.6 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 174.6 | -74.2 | 173.3 | -21.8 | 0 | 0 | 111.8 | I273 R274 K275 E279 Q280 Q281 | I273-Q277 HydrophobicContact CG2-CG 4.44Å; I273-Q277 VanDerWaalsContact O-CG 3.31Å; I273-Q277 WeakPolarHBondContact O-CG 3.17Å; I273-Q277 PolarHBondContact O-N 3.44Å; R274-Q277 PolarHBondContact O-N 3.28Å; K275-Q277 VanDerWaalsContact C-N 3.33Å; K275-Q277 PolarHBondContact O-N 3.35Å; Q277-E279 VanDerWaalsContact C-N 3.34Å; Q277-Q280 PolarHBondContact O-N 3.05Å; Q277-Q281 PolarHBondContact O-N 2.75Å |
| 278 | K | 97.8 | Very high | 97.7 | Very high | 169 Ų | 169 | 95.9 Ų | 95.9 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 175.4 | -174 | 176.7 | -178.4 | 178.3 | 0 | 111.6 | R274 K275 Q281 R282 | R274-K278 PolarHBondContact O-N 2.69Å; K275-K278 PolarHBondContact O-N 2.9Å; K278-Q281 PolarHBondContact O-N 3.13Å; K278-R282 WeakPolarHBondContact O-CB 3.47Å; K278-R282 PolarHBondContact O-N 3.16Å |
| 279 | E | 97.8 | Very high | 97.9 | Very high | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.9 | -171.6 | 167.1 | -174.4 | 0 | 0 | 111.8 | K275 L276 Q277 Q281 R282 A283 | K275-E279 WeakPolarHBondContact O-CB 3.25Å; K275-E279 PolarHBondContact O-N 3.44Å; L276-E279 PolarHBondContact O-N 2.99Å; Q277-E279 VanDerWaalsContact C-N 3.34Å; E279-Q281 PolarHBondContact O-N 3Å; E279-R282 PolarHBondContact O-N 2.94Å; E279-A283 WeakPolarHBondContact O-CB 3.38Å; E279-A283 PolarHBondContact O-N 2.9Å |
| 280 | Q | 98.3 | Very high | 98 | Very high | 123 Ų | 123 | 107.5 Ų | 107.5 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 173.6 | -173 | -177.1 | 56.1 | 0 | 0 | 111.8 | L276 Q277 A283 K284 | L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.44Å; Q277-Q280 PolarHBondContact O-N 3.05Å; Q280-A283 PolarHBondContact O-N 3.33Å; Q280-K284 WeakPolarHBondContact O-CG 3.13Å; Q280-K284 PolarHBondContact O-N 3.12Å |
| 281 | Q | 97.8 | Very high | 98 | Very high | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 175.2 | -175 | 56 | 41.6 | 0 | 0 | 111.3 | Q277 K278 E279 A283 K284 D285 | Q277-Q281 PolarHBondContact O-N 2.75Å; K278-Q281 PolarHBondContact O-N 3.13Å; E279-Q281 PolarHBondContact O-N 3Å; Q281-A283 VanDerWaalsContact C-N 3.29Å; Q281-A283 PolarHBondContact O-N 3.18Å; Q281-K284 WeakPolarHBondContact O-CB 3.19Å; Q281-K284 PolarHBondContact O-N 3.39Å; Q281-K284 VanDerWaalsContact O-N 3.15Å; Q281-D285 PolarHBondContact NE2-OD1 3.37Å; Q281-D285 PolarHBondContact O-N 3.47Å; Q281-D285 VanDerWaalsContact O-N 3.11Å |
| 282 | R | 98.2 | Very high | 98.1 | Very high | 184 Ų | 184 | 112.4 Ų | 112.4 | 69% | 0.694 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -39.7 | 175.8 | -176.2 | 179.1 | 177.1 | 156 | 0.8 | 112 | K278 E279 K284 D285 V286 | K278-R282 WeakPolarHBondContact O-CB 3.47Å; K278-R282 PolarHBondContact O-N 3.16Å; E279-R282 PolarHBondContact O-N 2.94Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 2.89Å; R282-D285 PolarHBondContact O-N 3.09Å; R282-V286 HydrophobicContact CG-CG2 4.47Å; R282-V286 WeakPolarHBondContact O-CG2 3.4Å; R282-V286 PolarHBondContact O-N 3.28Å |
| 283 | A | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E279 Q280 Q281 V286 E287 | E279-A283 WeakPolarHBondContact O-CB 3.38Å; E279-A283 PolarHBondContact O-N 2.9Å; Q280-A283 PolarHBondContact O-N 3.33Å; Q281-A283 VanDerWaalsContact C-N 3.29Å; Q281-A283 PolarHBondContact O-N 3.18Å; A283-V286 PolarHBondContact O-N 3.34Å; A283-E287 WeakPolarHBondContact O-CB 3.49Å; A283-E287 PolarHBondContact O-N 3.38Å |
| 284 | K | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 114.9 Ų | 114.9 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.7 | -68.9 | 175 | -178.5 | 176.1 | 0 | 112.4 | Q280 Q281 R282 V286 E287 M288 | Q280-K284 WeakPolarHBondContact O-CG 3.13Å; Q280-K284 PolarHBondContact O-N 3.12Å; Q281-K284 WeakPolarHBondContact O-CB 3.19Å; Q281-K284 PolarHBondContact O-N 3.39Å; Q281-K284 VanDerWaalsContact O-N 3.15Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 2.89Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-E287 PolarHBondContact O-N 3.09Å; K284-M288 PolarHBondContact O-N 3.48Å |
| 285 | D | 97.9 | Very high | 98.2 | Very high | 83 Ų | 83 | 114 Ų | 114 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 179.3 | -60.4 | -24.9 | 0 | 0 | 0 | 111.3 | Q281 R282 M288 R289 | Q281-D285 PolarHBondContact NE2-OD1 3.37Å; Q281-D285 PolarHBondContact O-N 3.47Å; Q281-D285 VanDerWaalsContact O-N 3.11Å; R282-D285 PolarHBondContact O-N 3.09Å; D285-M288 PolarHBondContact O-N 2.94Å; D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 PolarHBondContact O-N 3.26Å |
| 286 | V | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 110 Ų | 110 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -44 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | R282 A283 K284 M288 R289 Q290 | R282-V286 HydrophobicContact CG-CG2 4.47Å; R282-V286 WeakPolarHBondContact O-CG2 3.4Å; R282-V286 PolarHBondContact O-N 3.28Å; A283-V286 PolarHBondContact O-N 3.34Å; K284-V286 VanDerWaalsContact C-N 3.34Å; V286-M288 VanDerWaalsContact C-N 3.35Å; V286-M288 PolarHBondContact O-N 3.41Å; V286-R289 PolarHBondContact O-N 3.38Å; V286-Q290 WeakPolarHBondContact O-CB 3.36Å; V286-Q290 PolarHBondContact O-N 2.98Å |
| 287 | E | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 111.3 Ų | 111.3 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.6 | -168.5 | -165 | 156.9 | 0 | 0 | 111.5 | A283 K284 Q290 K291 | A283-E287 WeakPolarHBondContact O-CB 3.49Å; A283-E287 PolarHBondContact O-N 3.38Å; K284-E287 PolarHBondContact O-N 3.09Å; E287-Q290 WeakPolarHBondContact O-CB 3.49Å; E287-Q290 PolarHBondContact O-N 2.84Å; E287-K291 WeakPolarHBondContact O-CG 3.25Å; E287-K291 PolarHBondContact O-N 3.22Å; E287-K291 WeakPolarHBondContact OE1-CE 3.49Å; E287-K291 IonicContact OE1-NZ 3.94Å; E287-K291 PolarHBondContact OE1-NZ 2.88Å |
| 288 | M | 98.4 | Very high | 98.3 | Very high | 111 Ų | 111 | 110.7 Ų | 110.7 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.9 | -173.6 | -169.3 | -61 | 0 | 0 | 111.6 | K284 D285 V286 Q290 K291 K292 | K284-M288 PolarHBondContact O-N 3.48Å; D285-M288 PolarHBondContact O-N 2.94Å; V286-M288 VanDerWaalsContact C-N 3.35Å; V286-M288 PolarHBondContact O-N 3.41Å; M288-Q290 VanDerWaalsContact C-N 3.31Å; M288-K291 PolarHBondContact O-N 3.38Å; M288-K292 WeakPolarHBondContact O-CG 3.31Å; M288-K292 PolarHBondContact O-N 3.06Å; M288-K292 VanDerWaalsContact O-N 3.17Å |
| 289 | R | 98.3 | Very high | 98.3 | Very high | 180 Ų | 180 | 108 Ų | 108 | 68% | 0.679 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 176.4 | -176 | 176.4 | -177.7 | 155.1 | 0.4 | 111.3 | D285 V286 K292 L293 | D285-R289 WeakPolarHBondContact O-CB 3.37Å; D285-R289 PolarHBondContact O-N 3.26Å; V286-R289 PolarHBondContact O-N 3.38Å; R289-K292 PolarHBondContact O-N 3.34Å; R289-L293 HydrophobicContact CG-CD1 4.25Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.32Å |
| 290 | Q | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 176.4 | 179.3 | 179.1 | -4.8 | 0 | 0 | 110.9 | V286 E287 M288 K292 L293 E294 | V286-Q290 WeakPolarHBondContact O-CB 3.36Å; V286-Q290 PolarHBondContact O-N 2.98Å; E287-Q290 WeakPolarHBondContact O-CB 3.49Å; E287-Q290 PolarHBondContact O-N 2.84Å; M288-Q290 VanDerWaalsContact C-N 3.31Å; Q290-K292 VanDerWaalsContact C-N 3.29Å; Q290-K292 PolarHBondContact O-N 3.05Å; Q290-L293 PolarHBondContact O-N 2.97Å; Q290-E294 HydrophobicContact CG-CG 4.38Å; Q290-E294 VanDerWaalsContact CG-OE1 3.31Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.42Å; Q290-E294 PolarHBondContact NE2-OE1 2.87Å; Q290-E294 WeakPolarHBondContact O-CG 3.34Å; Q290-E294 PolarHBondContact O-N 3.35Å |
| 291 | K | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 106.8 Ų | 106.8 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 176.7 | -72.1 | 174.9 | -174.6 | 166 | 0 | 112.7 | E287 M288 E294 Q295 | E287-K291 WeakPolarHBondContact O-CG 3.25Å; E287-K291 PolarHBondContact O-N 3.22Å; E287-K291 WeakPolarHBondContact OE1-CE 3.49Å; E287-K291 IonicContact OE1-NZ 3.94Å; E287-K291 PolarHBondContact OE1-NZ 2.88Å; M288-K291 PolarHBondContact O-N 3.38Å; K291-E294 PolarHBondContact O-N 3.08Å; K291-Q295 VanDerWaalsContact O-CG 3.28Å; K291-Q295 WeakPolarHBondContact O-CG 3.45Å; K291-Q295 PolarHBondContact O-N 3.21Å |
| 292 | K | 98.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 106.4 Ų | 106.4 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 175.6 | -70.7 | 177.5 | -179.3 | 179.2 | 0 | 111.9 | M288 R289 Q290 Q295 A296 | M288-K292 WeakPolarHBondContact O-CG 3.31Å; M288-K292 PolarHBondContact O-N 3.06Å; M288-K292 VanDerWaalsContact O-N 3.17Å; R289-K292 PolarHBondContact O-N 3.34Å; Q290-K292 VanDerWaalsContact C-N 3.29Å; Q290-K292 PolarHBondContact O-N 3.05Å; K292-Q295 PolarHBondContact O-N 3.13Å; K292-A296 WeakPolarHBondContact O-CB 3.46Å; K292-A296 PolarHBondContact O-N 2.8Å |
| 293 | L | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 177.1 | -72.2 | 173 | 0 | 0 | 0 | 111.7 | R289 Q290 A296 N297 | R289-L293 HydrophobicContact CG-CD1 4.25Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.32Å; Q290-L293 PolarHBondContact O-N 2.97Å; L293-A296 PolarHBondContact O-N 2.92Å; L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 PolarHBondContact O-N 3.02Å |
| 294 | E | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.6 | -72.9 | 169.8 | -179.5 | 0 | 0 | 111.5 | Q290 K291 N297 H298 | Q290-E294 HydrophobicContact CG-CG 4.38Å; Q290-E294 VanDerWaalsContact CG-OE1 3.31Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.42Å; Q290-E294 PolarHBondContact NE2-OE1 2.87Å; Q290-E294 WeakPolarHBondContact O-CG 3.34Å; Q290-E294 PolarHBondContact O-N 3.35Å; K291-E294 PolarHBondContact O-N 3.08Å; E294-N297 PolarHBondContact O-N 3.22Å; E294-H298 WeakPolarHBondContact O-CB 3.42Å; E294-H298 PolarHBondContact O-N 2.94Å |
| 295 | Q | 98.5 | Very high | 98.2 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 174.4 | -72.6 | 172.3 | -0 | 0 | 0 | 112.1 | K291 K292 N297 H298 I299 | K291-Q295 VanDerWaalsContact O-CG 3.28Å; K291-Q295 WeakPolarHBondContact O-CG 3.45Å; K291-Q295 PolarHBondContact O-N 3.21Å; K292-Q295 PolarHBondContact O-N 3.13Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 2.97Å; Q295-H298 PolarHBondContact O-N 3.15Å; Q295-I299 WeakPolarHBondContact O-CG1 3.49Å; Q295-I299 PolarHBondContact O-N 3.18Å |
| 296 | A | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 105.4 Ų | 105.4 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K292 L293 I299 L300 | K292-A296 WeakPolarHBondContact O-CB 3.46Å; K292-A296 PolarHBondContact O-N 2.8Å; L293-A296 PolarHBondContact O-N 2.92Å; A296-I299 PolarHBondContact O-N 3.45Å; A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 VanDerWaalsContact O-CG 3.29Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.97Å |
| 297 | N | 98.4 | Very high | 97.9 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177 | -165.7 | -49 | 0 | 0 | 0 | 111.1 | L293 E294 Q295 I299 L300 M301 | L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 PolarHBondContact O-N 3.02Å; E294-N297 PolarHBondContact O-N 3.22Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 2.97Å; N297-I299 PolarHBondContact O-N 3.1Å; N297-L300 PolarHBondContact O-N 3.26Å; N297-M301 WeakPolarHBondContact O-CB 3.42Å; N297-M301 PolarHBondContact O-N 3.01Å |
| 298 | H | 98.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.9 | -176.3 | 61.8 | 0 | 0 | 0 | 112.5 | E294 Q295 M301 L302 | E294-H298 WeakPolarHBondContact O-CB 3.42Å; E294-H298 PolarHBondContact O-N 2.94Å; Q295-H298 PolarHBondContact O-N 3.15Å; H298-M301 PolarHBondContact O-N 3.18Å; H298-L302 WeakPolarHBondContact O-CG 3.4Å; H298-L302 PolarHBondContact O-N 3.42Å; H298-L302 VanDerWaalsContact O-N 3.08Å |
| 299 | I | 98.5 | Very high | 97.5 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 177.1 | -66.6 | 165 | 0 | 0 | 0 | 110.9 | Q295 A296 N297 M301 L302 R303 | Q295-I299 WeakPolarHBondContact O-CG1 3.49Å; Q295-I299 PolarHBondContact O-N 3.18Å; A296-I299 PolarHBondContact O-N 3.45Å; N297-I299 PolarHBondContact O-N 3.1Å; I299-M301 VanDerWaalsContact C-N 3.32Å; I299-M301 PolarHBondContact O-N 3.01Å; I299-L302 PolarHBondContact O-N 2.98Å; I299-R303 WeakPolarHBondContact O-CB 3.46Å; I299-R303 PolarHBondContact O-N 3.04Å |
| 300 | L | 98.5 | Very high | 97.3 | Very high | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 177.9 | -72.9 | 172 | 0 | 0 | 0 | 111.8 | A296 N297 R303 I304 | A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 VanDerWaalsContact O-CG 3.29Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.97Å; N297-L300 PolarHBondContact O-N 3.26Å; L300-R303 PolarHBondContact O-N 3.45Å; L300-I304 VanDerWaalsContact O-CG1 3.26Å; L300-I304 WeakPolarHBondContact O-CG1 3.33Å; L300-I304 PolarHBondContact O-N 3.38Å |
| 301 | M | 98.3 | Very high | 97 | Very high | 99 Ų | 99 | 95.2 Ų | 95.2 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.5 | -170.6 | -171.8 | -51.5 | 0 | 0 | 111.9 | N297 H298 I299 R303 I304 Q305 | N297-M301 WeakPolarHBondContact O-CB 3.42Å; N297-M301 PolarHBondContact O-N 3.01Å; H298-M301 PolarHBondContact O-N 3.18Å; I299-M301 VanDerWaalsContact C-N 3.32Å; I299-M301 PolarHBondContact O-N 3.01Å; M301-R303 VanDerWaalsContact C-N 3.35Å; M301-I304 PolarHBondContact O-N 3.47Å; M301-Q305 PolarHBondContact O-N 3.37Å |
| 302 | L | 97.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 97.2 Ų | 97.2 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175 | -69.4 | 174.7 | 0 | 0 | 0 | 111.7 | H298 I299 Q305 E306 | H298-L302 WeakPolarHBondContact O-CG 3.4Å; H298-L302 PolarHBondContact O-N 3.42Å; H298-L302 VanDerWaalsContact O-N 3.08Å; I299-L302 PolarHBondContact O-N 2.98Å; L302-Q305 PolarHBondContact O-N 2.85Å; L302-E306 PolarHBondContact O-N 3.35Å |
| 303 | R | 97.9 | Very high | 96.3 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.3 | -177.2 | 56.4 | 175.5 | 172.7 | 2.1 | 112.1 | I299 L300 M301 E306 L307 | I299-R303 WeakPolarHBondContact O-CB 3.46Å; I299-R303 PolarHBondContact O-N 3.04Å; L300-R303 PolarHBondContact O-N 3.45Å; M301-R303 VanDerWaalsContact C-N 3.35Å; R303-E306 WeakPolarHBondContact CD-OE2 3.4Å; R303-E306 IonicContact CZ-OE2 3.67Å; R303-E306 IonicContact NH1-OE1 2.7Å; R303-E306 PolarHBondContact NH1-OE1 3.34Å; R303-E306 VanDerWaalsContact NH1-OE1 3.14Å; R303-E306 IonicContact NH1-OE2 3.16Å; R303-E306 PolarHBondContact NH1-OE2 3.03Å; R303-E306 PolarHBondContact O-N 2.92Å; R303-L307 HydrophobicContact CG-CD1 4.12Å; R303-L307 WeakPolarHBondContact O-CB 3.41Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 2.9Å |
| 304 | I | 96.6 | Very high | 96 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 173.8 | -70.1 | 163.6 | 0 | 0 | 0 | 109.7 | L300 M301 E306 L307 E308 | L300-I304 VanDerWaalsContact O-CG1 3.26Å; L300-I304 WeakPolarHBondContact O-CG1 3.33Å; L300-I304 PolarHBondContact O-N 3.38Å; M301-I304 PolarHBondContact O-N 3.47Å; I304-E306 VanDerWaalsContact C-N 3.31Å; I304-E306 PolarHBondContact O-N 3.07Å; I304-L307 PolarHBondContact O-N 3.44Å; I304-E308 HydrophobicContact CG2-CG 4.28Å; I304-E308 WeakPolarHBondContact O-CB 3.29Å; I304-E308 WeakPolarHBondContact O-CG 3.48Å; I304-E308 PolarHBondContact O-N 2.84Å |
| 305 | Q | 96.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 98.3 Ų | 98.3 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.4 | -41.8 | 178 | -174.3 | -179 | 8.6 | 0 | 0 | 112.5 | M301 L302 M309 | M301-Q305 PolarHBondContact O-N 3.37Å; L302-Q305 PolarHBondContact O-N 2.85Å; Q305-M309 PolarHBondContact O-N 2.8Å |
| 306 | E | 96 | Very high | 94.5 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.9 | -172.3 | -162.6 | 168.1 | 0 | 0 | 111.7 | L302 R303 I304 M309 Q310 | L302-E306 PolarHBondContact O-N 3.35Å; R303-E306 WeakPolarHBondContact CD-OE2 3.4Å; R303-E306 IonicContact CZ-OE2 3.67Å; R303-E306 IonicContact NH1-OE1 2.7Å; R303-E306 PolarHBondContact NH1-OE1 3.34Å; R303-E306 VanDerWaalsContact NH1-OE1 3.14Å; R303-E306 IonicContact NH1-OE2 3.16Å; R303-E306 PolarHBondContact NH1-OE2 3.03Å; R303-E306 PolarHBondContact O-N 2.92Å; I304-E306 VanDerWaalsContact C-N 3.31Å; I304-E306 PolarHBondContact O-N 3.07Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.22Å; E306-Q310 WeakPolarHBondContact O-CG 3.31Å; E306-Q310 PolarHBondContact O-N 3.33Å; E306-Q310 PolarHBondContact OE1-NE2 2.89Å; E306-Q310 VanDerWaalsContact OE1-NE2 3.15Å |
| 307 | L | 95.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 101.6 Ų | 101.6 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 179.2 | -71.1 | 172.1 | 0 | 0 | 0 | 111.9 | R303 I304 M309 Q310 A311 | R303-L307 HydrophobicContact CG-CD1 4.12Å; R303-L307 WeakPolarHBondContact O-CB 3.41Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 2.9Å; I304-L307 PolarHBondContact O-N 3.44Å; L307-M309 VanDerWaalsContact C-N 3.33Å; L307-M309 PolarHBondContact O-N 2.96Å; L307-Q310 PolarHBondContact O-N 3.4Å; L307-A311 WeakPolarHBondContact O-CB 3.31Å; L307-A311 PolarHBondContact O-N 2.9Å |
| 308 | E | 93.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 173.6 | -76.1 | -176.6 | -173.7 | 0 | 0 | 111.8 | I304 A311 R312 | I304-E308 HydrophobicContact CG2-CG 4.28Å; I304-E308 WeakPolarHBondContact O-CB 3.29Å; I304-E308 WeakPolarHBondContact O-CG 3.48Å; I304-E308 PolarHBondContact O-N 2.84Å; E308-A311 PolarHBondContact O-N 3.11Å; E308-R312 VanDerWaalsContact O-CG 3.31Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-N 2.99Å; E308-R312 IonicContact OE2-NH2 2.87Å; E308-R312 PolarHBondContact OE2-NH2 3.48Å; E308-R312 VanDerWaalsContact OE2-NH2 3.16Å |
| 309 | M | 93.2 | Very high | 89.7 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.3 | -175.6 | -175.7 | 68.2 | 0 | 0 | 111.3 | Q305 E306 L307 R312 L313 | Q305-M309 PolarHBondContact O-N 2.8Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.22Å; L307-M309 VanDerWaalsContact C-N 3.33Å; L307-M309 PolarHBondContact O-N 2.96Å; M309-R312 PolarHBondContact O-N 3.41Å; M309-L313 WeakPolarHBondContact O-CG 3.34Å; M309-L313 PolarHBondContact O-N 3.48Å |
| 310 | Q | 94.6 | Very high | 87.6 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 34% | 0.341 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.7 | -69.9 | 173.4 | 11.5 | 0 | 0 | 111.4 | E306 L307 R312 L313 H314 | E306-Q310 WeakPolarHBondContact O-CG 3.31Å; E306-Q310 PolarHBondContact O-N 3.33Å; E306-Q310 PolarHBondContact OE1-NE2 2.89Å; E306-Q310 VanDerWaalsContact OE1-NE2 3.15Å; L307-Q310 PolarHBondContact O-N 3.4Å; Q310-R312 VanDerWaalsContact C-N 3.32Å; Q310-R312 PolarHBondContact O-N 3.2Å; Q310-L313 WeakPolarHBondContact O-CB 3.36Å; Q310-L313 PolarHBondContact O-N 3.15Å; Q310-L313 VanDerWaalsContact O-N 3.14Å; Q310-H314 PolarHBondContact O-CD2 3.4Å; Q310-H314 PolarHBondContact O-N 3.27Å |
| 311 | A | 92.8 | Very high | 85.5 | Confident | 30 Ų | 30 | 104 Ų | 104 | 25% | 0.248 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L307 E308 H314 G315 L316 | L307-A311 WeakPolarHBondContact O-CB 3.31Å; L307-A311 PolarHBondContact O-N 2.9Å; E308-A311 PolarHBondContact O-N 3.11Å; A311-H314 CarbonylContact O-C 3.53Å; A311-H314 PolarHBondContact O-N 2.73Å; A311-G315 PolarHBondContact O-N 2.79Å; A311-L316 HydrophobicContact CB-CB 4.32Å; A311-L316 PolarHBondContact O-N 3.07Å |
| 312 | R | 90.6 | Very high | 83.1 | Confident | 145 Ų | 145 | 108.3 Ų | 108.3 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 174.3 | -71 | 174.7 | -162.4 | 154.7 | 12.2 | 112.1 | E308 M309 Q310 H314 G315 A318 | E308-R312 VanDerWaalsContact O-CG 3.31Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-N 2.99Å; E308-R312 IonicContact OE2-NH2 2.87Å; E308-R312 PolarHBondContact OE2-NH2 3.48Å; E308-R312 VanDerWaalsContact OE2-NH2 3.16Å; M309-R312 PolarHBondContact O-N 3.41Å; Q310-R312 VanDerWaalsContact C-N 3.32Å; Q310-R312 PolarHBondContact O-N 3.2Å; R312-H314 VanDerWaalsContact C-N 3.26Å; R312-H314 PolarHBondContact O-N 3.41Å; R312-G315 PolarHBondContact O-N 2.89Å; R312-G315 VanDerWaalsContact O-N 3.1Å; R312-A318 HydrophobicContact CG-CB 4.13Å |
| 313 | L | 90.8 | Very high | 80.9 | Confident | 140 Ų | 140 | 111.6 Ų | 111.6 | 73% | 0.733 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -35.1 | 175.3 | -71 | 172.7 | 0 | 0 | 0 | 112.1 | M309 Q310 G315 | M309-L313 WeakPolarHBondContact O-CG 3.34Å; M309-L313 PolarHBondContact O-N 3.48Å; Q310-L313 WeakPolarHBondContact O-CB 3.36Å; Q310-L313 PolarHBondContact O-N 3.15Å; Q310-L313 VanDerWaalsContact O-N 3.14Å; L313-G315 PolarHBondContact O-N 3.44Å |
| 314 | H | 92.4 | Very high | 78.4 | Confident | 162 Ų | 162 | 114.8 Ų | 114.8 | 75% | 0.75 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 7.4 | 175.7 | -72 | -71.5 | 0 | 0 | 0 | 114.2 | Q310 A311 R312 | Q310-H314 PolarHBondContact O-CD2 3.4Å; Q310-H314 PolarHBondContact O-N 3.27Å; A311-H314 CarbonylContact O-C 3.53Å; A311-H314 PolarHBondContact O-N 2.73Å; R312-H314 VanDerWaalsContact C-N 3.26Å; R312-H314 PolarHBondContact O-N 3.41Å |
| 315 | G | 86 | Confident | 76 | Confident | 63 Ų | 63 | 118.9 Ų | 118.9 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.9 | 14.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A311 R312 L313 | A311-G315 PolarHBondContact O-N 2.79Å; R312-G315 PolarHBondContact O-N 2.89Å; R312-G315 VanDerWaalsContact O-N 3.1Å; L313-G315 PolarHBondContact O-N 3.44Å |
| 316 | L | 80.3 | Confident | 73.4 | Confident | 114 Ų | 114 | 117 Ų | 117 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 127.5 | 175 | -61.2 | 176.3 | 0 | 0 | 0 | 110.4 | A311 A318 | A311-L316 HydrophobicContact CB-CB 4.32Å; A311-L316 PolarHBondContact O-N 3.07Å; L316-A318 PolarHBondContact O-N 2.74Å |
| 317 | P | 69.7 | Low | 70.8 | Confident | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117.1 | 177.5 | 26.1 | -30.8 | 0 | 0 | 0 | 110 | A319 | P317-A319 PolarHBondContact O-N 3.38Š|
| 318 | A | 63.5 | Low | 68.4 | Low | 33 Ų | 33 | 120.2 Ų | 120.2 | 27% | 0.273 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 117.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | R312 L316 Q320 | R312-A318 HydrophobicContact CG-CB 4.13Å; L316-A318 PolarHBondContact O-N 2.74Å; A318-Q320 PolarHBondContact O-N 2.93Å |
| 319 | A | 59.6 | Low | 65.9 | Low | 86 Ų | 86 | 120.8 Ų | 120.8 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -59.1 | 113.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P317 Q321 | P317-A319 PolarHBondContact O-N 3.38Å; A319-Q321 PolarHBondContact O-N 3.43Å | ||
| 320 | Q | 54.1 | Low | 63.5 | Low | 195 Ų | 195 | 121.6 Ų | 121.6 | 91% | 0.911 | 68% | 0.682 | S | S | * | * | trans | -62.1 | 97.1 | 173.5 | -77.2 | 176.7 | -75.5 | 0 | 0 | 108.7 | A318 Q322 | A318-Q320 PolarHBondContact O-N 2.93Å; Q320-Q322 PolarHBondContact O-N 3.26Å | ||
| 321 | Q | 55.8 | Low | 60.9 | Low | 164 Ų | 164 | 123.5 Ų | 123.5 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -73 | 106.6 | 163.2 | -72.9 | -173.3 | -7.8 | 0 | 0 | 107.3 | A319 Q323 | A319-Q321 PolarHBondContact O-N 3.43Å; Q321-Q323 VanDerWaalsContact C-N 3.26Å; Q321-Q323 PolarHBondContact O-N 3.48Å | ||
| 322 | Q | 48 | Very low | 58.4 | Low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -54.9 | 96.2 | 158.4 | -89.3 | 163.8 | -32.3 | 0 | 0 | 107.8 | Q320 Q324 | Q320-Q322 PolarHBondContact O-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.48Å | ||
| 323 | Q | 51 | Low | 55.6 | Low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -65.9 | 87.9 | 163.4 | -95.3 | 172.1 | -3.4 | 0 | 0 | 107.5 | Q321 Q325 | Q321-Q323 VanDerWaalsContact C-N 3.26Å; Q321-Q323 PolarHBondContact O-N 3.48Å; Q323-Q325 PolarHBondContact O-N 3.3Å | ||
| 324 | Q | 45.5 | Very low | 52.9 | Low | 184 Ų | 184 | 125.7 Ų | 125.7 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -63.1 | 97.3 | 152.1 | -117.4 | 153.2 | 23.9 | 0 | 0 | 105.8 | Q322 A326 | Q322-Q324 PolarHBondContact O-N 3.48Å; Q324-A326 PolarHBondContact O-N 3.25Å | ||
| 325 | Q | 45.1 | Very low | 50.2 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -59 | 86.5 | 156.2 | -77.8 | 174.9 | 3.5 | 0 | 0 | 106.7 | Q323 A327 | Q323-Q325 PolarHBondContact O-N 3.3Å; Q325-A327 PolarHBondContact O-N 3.33Å | ||
| 326 | A | 42.8 | Very low | 47.7 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 79.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | Q324 V328 | Q324-A326 PolarHBondContact O-N 3.25Å; A326-V328 PolarHBondContact O-N 3.28Å; A326-V328 VanDerWaalsContact O-N 3.12Å | ||
| 327 | A | 41.6 | Very low | 45.9 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -52 | 118.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q325 A329 | Q325-A327 PolarHBondContact O-N 3.33Å; A327-A329 PolarHBondContact O-N 3.14Å | ||
| 328 | V | 44.8 | Very low | 44 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -68.7 | 74.1 | 165.4 | -178.3 | 0 | 0 | 0 | 0 | 106 | A326 | A326-V328 PolarHBondContact O-N 3.28Å; A326-V328 VanDerWaalsContact O-N 3.12Å | ||
| 329 | A | 41.9 | Very low | 42.5 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 110.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | A327 | A327-A329 PolarHBondContact O-N 3.14Š| ||
| 330 | V | 43.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -52 | 122 | 166.3 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | H332 | V330-H332 PolarHBondContact O-N 3.49Š| ||
| 331 | P | 40 | Very low | 40.4 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 109.2 | -179.4 | 29.8 | -29.7 | 0 | 0 | 0 | 109.3 | ||||
| 332 | H | 38.8 | Very low | 39.4 | Very low | 195 Ų | 195 | 129.9 Ų | 129.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -97.6 | 99.4 | 148.7 | -118 | 43.7 | 0 | 0 | 0 | 106.9 | V330 | V330-H332 PolarHBondContact O-N 3.49Š| ||
| 333 | A | 33.5 | Very low | 38.8 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -74.9 | 137.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 334 | G | 33.7 | Very low | 38.1 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | trans | 140 | 79.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 335 | Q | 34.3 | Very low | 37.3 | Very low | 202 Ų | 202 | 129 Ų | 129 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -172.8 | 137 | 130.3 | -101.4 | 157.4 | 83.5 | 0 | 0 | 113.4 | ||||
| 336 | N | 34.5 | Very low | 36.7 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -75 | 163.6 | 178.3 | -111.8 | -10.7 | 0 | 0 | 0 | 112.5 | ||||
| 337 | P | 41.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -95.4 | 157.6 | -168.6 | 37.5 | -32.6 | 0 | 0 | 0 | 113.4 | ||||
| 338 | G | 30.8 | Very low | 35.7 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -176.1 | 100.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 339 | A | 32.7 | Very low | 35.1 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 65.6 | 120.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 340 | A | 34.1 | Very low | 34.5 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -73.6 | 139.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 341 | T | 34.2 | Very low | 34 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -159.1 | 130.1 | 135.6 | -42.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 342 | T | 35.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | trans | -66 | 132.2 | 173.7 | -39.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 343 | L | 34.3 | Very low | 33.3 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -161.3 | 126.1 | 141 | -79.6 | -167.5 | 0 | 0 | 0 | 110.7 | ||||
| 344 | N | 36.3 | Very low | 33.9 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -79.3 | 135.3 | 164.5 | -89.6 | -34 | 0 | 0 | 0 | 109.8 | ||||
| 345 | L | 30.4 | Very low | 33.8 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -167 | 140 | 138.5 | -147.4 | 67.1 | 0 | 0 | 0 | 112.7 | ||||
| 346 | S | 32.4 | Very low | 34.3 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -81 | 158.8 | -174 | -42.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 347 | A | 30.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | 94.8 | 128.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 348 | L | 32.6 | Very low | 33.6 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | 68.1 | 123.4 | 144.6 | -112.2 | 74.7 | 0 | 0 | 0 | 122.5 | ||||
| 349 | G | 30.2 | Very low | 33.7 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | 97.1 | 93 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 350 | A | 30.9 | Very low | 33.8 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 70.8 | 136.9 | 127.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 351 | I | 32.7 | Very low | 33.6 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 78.3 | 112 | 149.1 | -27.7 | -174.1 | 0 | 0 | 0 | 120.3 | ||||
| 352 | A | 32 | Very low | 34.7 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | 152.3 | 139.1 | 117.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 353 | Q | 32.5 | Very low | 35 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -79.7 | -160.7 | 178.1 | -47.1 | -166.2 | -53.2 | 0 | 0 | 112.9 | ||||
| 354 | P | 46.1 | Very low | 34.8 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | -142.4 | 172.5 | -12.6 | 25.6 | -0.1 | 0 | 0 | 0 | 118.7 | ||||
| 355 | L | 30.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 71.2 | 165 | 148.4 | -74.4 | 154.3 | 0 | 0 | 0 | 121.7 | ||||
| 356 | P | 45.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | -133.4 | -170.4 | -26.8 | 34.3 | -12.6 | 0 | 0 | 0 | 115.8 | ||||
| 357 | A | 30.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -81.9 | 167.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 358 | S | 30.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 173.1 | 112.7 | 136.7 | -74.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 359 | F | 33.6 | Very low | 35.1 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 42.4 | 119.1 | 88 | -90.5 | -84.5 | 0 | 0 | 0 | 116.5 | |||||
| 360 | L | 33.6 | Very low | 35.1 | Very low | 177 Ų | 177 | 125.5 Ų | 125.5 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -163.5 | 142.8 | 148.7 | -101.3 | 159.7 | 0 | 0 | 0 | 111.1 | ||||
| 361 | S | 31.2 | Very low | 35.1 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -122 | 177.3 | -177.4 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 362 | P | 57 | Low | 35.2 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -95.3 | -175.1 | -151.6 | 42.1 | -38.1 | 0 | 0 | 0 | 114.8 | ||||
| 363 | P | 42.1 | Very low | 35.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -159.9 | -166.8 | 97.5 | 41 | -18.2 | 0 | 0 | 0 | 117.6 | |||||
| 364 | S | 30.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -101.5 | -179.1 | -163.5 | -41.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 365 | S | 30.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 77.6 | 150.7 | 162.9 | -62.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 366 | D | 28.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | cis | -163.9 | 166.4 | 24.6 | -155.2 | -4.5 | 0 | 0 | 0 | 110.7 | ||||
| 367 | S | 31.3 | Very low | 35.2 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 167.7 | 172.7 | -78.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 368 | P | 45.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | -143.8 | 155.8 | 123.2 | 32.8 | -15.1 | 0 | 0 | 0 | 116.3 | |||||
| 369 | A | 32.2 | Very low | 35.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 166.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 370 | G | 29.9 | Very low | 35.6 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 175.6 | 173.5 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 371 | V | 31.2 | Very low | 35.6 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 158.3 | 114.8 | 149 | 165.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 372 | T | 34.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -32.6 | 147.2 | 167 | 55.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 373 | I | 35.9 | Very low | 34.7 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | -161.4 | 128 | 109.7 | -3.3 | 164.1 | 0 | 0 | 0 | 113.4 | |||||
| 374 | S | 31.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 69.2 | 128.2 | 147.1 | -54.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 375 | S | 37.1 | Very low | 34.6 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -77.4 | -164.1 | -170.3 | -39.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 376 | P | 46.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -132.7 | 163.3 | -62 | 34 | -15.9 | 0 | 0 | 0 | 113.5 | |||||
| 377 | L | 34.1 | Very low | 35.1 | Very low | 184 Ų | 184 | 132 Ų | 132 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -144 | 136.7 | 150.5 | -79.7 | -175.5 | 0 | 0 | 0 | 112.3 | ||||
| 378 | D | 33.1 | Very low | 35.2 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -87.2 | 140.1 | -174.1 | 171.6 | 38.5 | 0 | 0 | 0 | 111.3 | ||||
| 379 | L | 36.8 | Very low | 34.6 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | 179.4 | 124 | 128.3 | -120.4 | 69.8 | 0 | 0 | 0 | 111 | |||||
| 380 | G | 33.7 | Very low | 35.2 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 152.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 381 | S | 34.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | 33.2 | 110.8 | 125.9 | -179.9 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 382 | L | 36.7 | Very low | 35.7 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -139.6 | 121.5 | 140.9 | -74 | -177.2 | 0 | 0 | 0 | 112.3 | ||||
| 383 | S | 31.9 | Very low | 35.8 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 142.8 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 384 | F | 34.6 | Very low | 35.6 | Very low | 221 Ų | 221 | 134.4 Ų | 134.4 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | trans | -95 | 92.8 | 174.7 | -132.5 | -93.5 | 0 | 0 | 0 | 108.9 | ||||
| 385 | A | 37 | Very low | 35.9 | Very low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | -137.4 | 139.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 386 | E | 32.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 80.3 | 105 | 153.4 | -154.2 | 165.9 | -156.2 | 0 | 0 | 117.8 | ||||
| 387 | L | 37.3 | Very low | 36 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -167.7 | 97 | 132.5 | -112.4 | 135.1 | 0 | 0 | 0 | 110.7 | ||||
| 388 | D | 31.8 | Very low | 36.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -119.2 | 116.1 | 155.4 | -117.7 | -31.2 | 0 | 0 | 0 | 104.2 | ||||
| 389 | D | 33.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 167.6 | 163.7 | 132.5 | -117 | -1 | 0 | 0 | 0 | 112.9 | ||||
| 390 | P | 46.6 | Very low | 36.4 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 62% | 0.617 | 80% | 0.795 | S | S | * | * | -136.1 | 99.3 | -129.8 | 33.6 | -7.8 | 0 | 0 | 0 | 111.9 | |||||
| 391 | T | 37.3 | Very low | 37 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -169.2 | 110.4 | 169 | 20.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 392 | T | 34.3 | Very low | 37.1 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 160.7 | 109.8 | 144.8 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 393 | S | 35.3 | Very low | 37.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 166.3 | 81.9 | 134.2 | -75.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 394 | A | 33.3 | Very low | 37.7 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -89.6 | 125.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 395 | L | 36.7 | Very low | 38 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 166.1 | 133.8 | 135.6 | -87.3 | 163.4 | 0 | 0 | 0 | 111.5 | ||||
| 396 | Y | 37.6 | Very low | 38.5 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 107.1 | 138 | 167.8 | -64.6 | -73.9 | 0 | 0 | 0 | 118 | ||||
| 397 | P | 48.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -125 | 166.1 | -132.9 | 29.8 | -7.5 | 0 | 0 | 0 | 114.5 | ||||
| 398 | D | 35.4 | Very low | 38.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 27 | 107.3 | 141.7 | -164.3 | 32.7 | 0 | 0 | 0 | 119.4 | ||||
| 399 | V | 41 | Very low | 39.1 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -147.6 | 108.3 | 143.9 | -120.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | G | 36.8 | Very low | 39.2 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 141 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 401 | L | 44.4 | Very low | 38.6 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -137.4 | 103.2 | 157.3 | -82.9 | 171.7 | 0 | 0 | 0 | 107.3 | ||||
| 402 | G | 37.3 | Very low | 38.4 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -82 | 153.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 403 | D | 36.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 79.9 | 97.1 | 143.2 | -156.6 | 28.3 | 0 | 0 | 0 | 120.4 | ||||
| 404 | I | 44.3 | Very low | 39.2 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -159.9 | 127.2 | 140.8 | -57.6 | -171.3 | 0 | 0 | 0 | 105.5 | ||||
| 405 | L | 42 | Very low | 39 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -176.9 | 134.4 | -5.2 | -178.6 | 78.6 | 0 | 0 | 0 | 107.9 | ||||
| 406 | M | 46.1 | Very low | 38.9 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 61.2 | 124.3 | 147.5 | -64.9 | 174.3 | 94.9 | 0 | 0 | 121.6 | ||||
| 407 | D | 38.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 86.9 | 123 | 55.6 | -171.5 | 42.7 | 0 | 0 | 0 | 113.4 | |||||
| 408 | D | 39 | Very low | 37.7 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -160.9 | 110.8 | 149.8 | -110.8 | -25.8 | 0 | 0 | 0 | 109.6 | ||||
| 409 | G | 36.3 | Very low | 37.5 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | 122.1 | 69.7 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 410 | C | 35 | Very low | 37.9 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | 42.1 | 123.4 | 127.5 | -72.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 411 | A | 34.1 | Very low | 37.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | 169.3 | 115.9 | 88.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 412 | L | 33.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | 58.3 | 106.6 | 129.8 | -50.3 | 178.3 | 0 | 0 | 0 | 120 | |||||
| 413 | S | 32.7 | Very low | 36.9 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 94.5 | 163.7 | 76.2 | -75.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 414 | P | 53.6 | Low | 37.7 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | -142 | -165.9 | -75.9 | 38.5 | -15.8 | 0 | 0 | 0 | 114 | |||||
| 415 | E | 29.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 134 Ų | 134 | 66% | 0.659 | 76% | 0.76 | S | S | * | * | trans | 76.6 | 147.2 | 151.3 | -82.2 | -175.2 | 98.7 | 0 | 0 | 119.4 | ||||
| 416 | R | 34.6 | Very low | 36.8 | Very low | 195 Ų | 195 | 133 Ų | 133 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | cis | -175.7 | 148.1 | -12.3 | -131.2 | -177.1 | -161.3 | 155.1 | -6.1 | 106 | ||||
| 417 | M | 29.8 | Very low | 37 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | 71.9 | 121.7 | 133.2 | -147.6 | 138.5 | -175.4 | 0 | 0 | 121.1 | ||||
| 418 | G | 30.3 | Very low | 36.7 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 153.8 | 76.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 419 | E | 31 | Very low | 36.6 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -96.5 | 173.5 | 150.4 | -80.9 | -87.6 | 159.4 | 0 | 0 | 107.7 | ||||
| 420 | P | 49.5 | Very low | 36.5 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | cis | -137.3 | 177.8 | 2.7 | 25.5 | 1.5 | 0 | 0 | 0 | 113.3 | ||||
| 421 | L | 34.3 | Very low | 37 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | 167 | 136.7 | 91.1 | -73.6 | 169.5 | 0 | 0 | 0 | 105.7 | |||||
| 422 | F | 32.3 | Very low | 37.2 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | -169.4 | 138.9 | 64 | -91 | -84.3 | 0 | 0 | 0 | 111.3 | |||||
| 423 | S | 31.1 | Very low | 37.4 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 179.2 | 161.4 | -28.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 424 | P | 53 | Low | 37.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -149.3 | 158.2 | 45.9 | 37.5 | -14.8 | 0 | 0 | 0 | 117.8 | ||||
| 425 | L | 32.3 | Very low | 37.2 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | 165.6 | 117.8 | 120.1 | -95.2 | 127.8 | 0 | 0 | 0 | 109.9 | |||||
| 426 | S | 35.1 | Very low | 37.8 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -92.2 | -172.4 | 169.1 | -141.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 427 | P | 51.8 | Low | 38 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | cis | -140.9 | 178.3 | -5.7 | 37.8 | -18 | 0 | 0 | 0 | 115 | ||||
| 428 | G | 31.8 | Very low | 38.5 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 151.1 | 111.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 429 | A | 36.7 | Very low | 39.1 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 160.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 430 | S | 35.3 | Very low | 39.4 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 153.9 | 155.2 | 118.5 | -70.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 431 | K | 43.8 | Very low | 39.8 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 167.8 | -176.2 | -65.5 | 164.6 | 168.5 | 173.8 | 0 | 116.1 | ||||
| 432 | T | 38.5 | Very low | 40.4 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | 144.6 | 119.7 | 135 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 433 | S | 37.8 | Very low | 41.3 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 91.7 | 109.6 | 83.9 | -179 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 434 | S | 38.4 | Very low | 42.1 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | 54.8 | 139.8 | 125.1 | -150.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 435 | R | 43 | Very low | 41.7 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | 109.5 | 111.5 | 150 | -62.2 | -164.9 | 171 | -146.3 | -1.3 | 115.6 | ||||
| 436 | R | 42.8 | Very low | 42.2 | Very low | 226 Ų | 226 | 148.6 Ų | 148.6 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | 85.8 | 118.5 | 60.5 | -166.3 | -171.5 | -149.1 | -88.4 | 2.8 | 111.3 | |||||
| 437 | S | 38.9 | Very low | 42.5 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | -179 | 131.7 | 121.5 | -156.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 438 | S | 40.6 | Very low | 42 | Very low | 110 Ų | 110 | 152.1 Ų | 152.1 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -93.6 | 161.6 | 163 | -52 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 439 | L | 43.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -165.3 | 109.8 | 161.8 | -98.8 | 147.4 | 0 | 0 | 0 | 103.4 | ||||
| 440 | E | 36.3 | Very low | 43 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 74% | 0.738 | 84% | 0.842 | S | S | * | * | cis | 61.5 | 104.2 | 43.2 | -155.8 | 169 | -146.9 | 0 | 0 | 113.2 | ||||
| 441 | M | 57.8 | Low | 43.5 | Very low | 190 Ų | 190 | 162.7 Ų | 162.7 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | trans | -138.4 | 124.9 | 154.9 | -83 | -158.8 | -70.2 | 0 | 0 | 108.7 | ||||
| 442 | D | 47 | Very low | 43.5 | Very low | 147 Ų | 147 | 160.4 Ų | 160.4 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -67.4 | 165.4 | -177 | -78.1 | -76.1 | 0 | 0 | 0 | 115.8 | ||||
| 443 | E | 52.9 | Low | 43.9 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -88.1 | 173.4 | 167.4 | -57.8 | -141.9 | 124 | 0 | 0 | 113 | ||||
| 444 | D | 47.8 | Very low | 44.4 | Very low | 150 Ų | 150 | 166.4 Ų | 166.4 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | 99.1 | 100.2 | 161.8 | -64.6 | -25 | 0 | 0 | 0 | 119.6 | ||||
| 445 | L | 43.4 | Very low | 44.9 | Very low | 251 Ų | 251 | 172.1 Ų | 172.1 | 100% | 1.314 | 86% | 0.856 | S | S | * | * | -165.7 | 0 | 117.1 | -117.1 | 131.8 | 0 | 0 | 0 | 113.2 |
Retrieved 445 of 445 residues in 287.4 ms
(Link to these results)