| 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 | 41.4 | Very low | 53.8 | Low | 248 Ų | 248 | 149 Ų | 149 | 100% | 1.222 | 77% | 0.774 | S | S | * | * | 0 | 104.3 | 0 | -66 | -179.3 | -171.2 | 0 | 0 | 108.1 | |||||
| 2 | A | 47.1 | Very low | 54.6 | Low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -170.2 | 85.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | Q | 49 | Very low | 55.2 | Low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -148 | 86.4 | 165 | -83.1 | -173.3 | -9.2 | 0 | 0 | 108.8 | ||||
| 4 | Q | 51.8 | Low | 55.9 | Low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | -167.4 | 60.9 | 170.3 | -116.5 | 166.2 | -2.7 | 0 | 0 | 113.5 | ||||
| 5 | T | 50.8 | Low | 56.4 | Low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -146.9 | 15 | 171.8 | 52 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 6 | S | 56.2 | Low | 57.3 | Low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -97 | -20.7 | -175 | 65.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 7 | A | 56.9 | Low | 57.9 | Low | 63 Ų | 63 | 133.8 Ų | 133.8 | 52% | 0.521 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -74.1 | -50.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R9 R10 Y11 | A7-R9 VanDerWaalsContact C-N 3.32Å; A7-R9 PolarHBondContact O-N 2.66Å; A7-R10 PolarHBondContact O-N 3.39Å; A7-Y11 VanDerWaalsContact O-CD2 3.31Å; A7-Y11 WeakPolarHBondContact O-CD2 3.38Å; A7-Y11 PolarHBondContact O-N 3.2Å |
| 8 | G | 57.4 | Low | 58.9 | Low | 48 Ų | 48 | 128.4 Ų | 128.4 | 50% | 0.495 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -62.6 | -34.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y11 V12 | G8-Y11 PolarHBondContact O-N 3.31Å; G8-V12 WeakPolarHBondContact O-CG2 3.43Å; G8-V12 PolarHBondContact O-N 3.21Å; G8-V12 VanDerWaalsContact O-N 3.08Å |
| 9 | R | 59.2 | Low | 60.1 | Low | 200 Ų | 200 | 128.4 Ų | 128.4 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.6 | -37.5 | 177.4 | -168.1 | 172.5 | 175.1 | 171.8 | -1.5 | 112.1 | A7 Q13 | A7-R9 VanDerWaalsContact C-N 3.32Å; A7-R9 PolarHBondContact O-N 2.66Å; R9-Q13 WeakPolarHBondContact O-CB 3.23Å; R9-Q13 PolarHBondContact O-N 2.86Å |
| 10 | R | 60.1 | Low | 61.3 | Low | 187 Ų | 187 | 129.3 Ų | 129.3 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.6 | -41.7 | 174.5 | -90.1 | -178.6 | 169.2 | 175 | -2.9 | 112.4 | A7 Q13 T14 | A7-R10 PolarHBondContact O-N 3.39Å; R10-Q13 PolarHBondContact O-N 2.91Å; R10-T14 WeakPolarHBondContact O-CB 3.31Å; R10-T14 PolarHBondContact O-N 3.42Å; R10-T14 PolarHBondContact O-OG1 3.28Å |
| 11 | Y | 62 | Low | 62.4 | Low | 179 Ų | 179 | 127.7 Ų | 127.7 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.5 | -47.7 | 177.6 | -83.7 | -78.7 | 0 | 0 | 0 | 112 | A7 G8 Q13 T14 F15 | A7-Y11 VanDerWaalsContact O-CD2 3.31Å; A7-Y11 WeakPolarHBondContact O-CD2 3.38Å; A7-Y11 PolarHBondContact O-N 3.2Å; G8-Y11 PolarHBondContact O-N 3.31Å; Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 3.11Å; Y11-T14 PolarHBondContact O-N 3.3Å; Y11-F15 WeakPolarHBondContact O-CB 3.42Å; Y11-F15 PolarHBondContact O-N 2.92Å |
| 12 | V | 63.5 | Low | 64.5 | Low | 86 Ų | 86 | 118.3 Ų | 118.3 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.3 | -41.5 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | G8 T14 F15 I16 | G8-V12 WeakPolarHBondContact O-CG2 3.43Å; G8-V12 PolarHBondContact O-N 3.21Å; G8-V12 VanDerWaalsContact O-N 3.08Å; V12-T14 PolarHBondContact O-N 2.86Å; V12-F15 PolarHBondContact O-N 3.44Å; V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.42Å; V12-I16 VanDerWaalsContact O-CG1 3.23Å; V12-I16 WeakPolarHBondContact O-CG1 3.19Å; V12-I16 PolarHBondContact O-N 3.08Å |
| 13 | Q | 62.7 | Low | 66.5 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 59% | 0.589 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | 178.5 | -161.2 | 171.5 | 7.6 | 0 | 0 | 112.3 | R9 R10 Y11 S17 | R9-Q13 WeakPolarHBondContact O-CB 3.23Å; R9-Q13 PolarHBondContact O-N 2.86Å; R10-Q13 PolarHBondContact O-N 2.91Å; Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 3.11Å; Q13-S17 VanDerWaalsContact O-CB 3.24Å; Q13-S17 WeakPolarHBondContact O-CB 3.46Å; Q13-S17 PolarHBondContact O-N 2.91Å; Q13-S17 PolarHBondContact O-OG 3.5Å; Q13-S17 VanDerWaalsContact O-OG 3.11Å |
| 14 | T | 64.2 | Low | 68.4 | Low | 92 Ų | 92 | 110.6 Ų | 110.6 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.6 | -41.1 | 174 | -46.4 | 0 | 0 | 0 | 0 | 110.8 | R10 Y11 V12 S17 G18 | R10-T14 WeakPolarHBondContact O-CB 3.31Å; R10-T14 PolarHBondContact O-N 3.42Å; R10-T14 PolarHBondContact O-OG1 3.28Å; Y11-T14 PolarHBondContact O-N 3.3Å; V12-T14 PolarHBondContact O-N 2.86Å; T14-S17 WeakPolarHBondContact CA-OG 3.24Å; T14-S17 PolarHBondContact O-N 3.46Å; T14-S17 PolarHBondContact O-OG 2.79Å; T14-G18 PolarHBondContact O-N 3.49Å |
| 15 | F | 63.8 | Low | 70.1 | Confident | 175 Ų | 175 | 104.9 Ų | 104.9 | 77% | 0.768 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -45.8 | 177.1 | -138.3 | -90 | 0 | 0 | 0 | 112.6 | Y11 V12 G18 F19 | Y11-F15 WeakPolarHBondContact O-CB 3.42Å; Y11-F15 PolarHBondContact O-N 2.92Å; V12-F15 PolarHBondContact O-N 3.44Å; F15-G18 PolarHBondContact O-N 3.2Å; F15-F19 PolarHBondContact O-N 3.34Å |
| 16 | I | 70.1 | Confident | 71.7 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.6 | -68.2 | 170.7 | 0 | 0 | 0 | 110.2 | V12 G18 F19 F20 | V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.42Å; V12-I16 VanDerWaalsContact O-CG1 3.23Å; V12-I16 WeakPolarHBondContact O-CG1 3.19Å; V12-I16 PolarHBondContact O-N 3.08Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.13Å; I16-F20 HydrophobicContact CG2-CD2 3.79Å; I16-F20 HydrophobicContact CG2-CE2 3.6Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.5Å; I16-F20 PolarHBondContact O-N 3.03Å; I16-F20 VanDerWaalsContact O-N 3.13Å |
| 17 | S | 67.6 | Low | 73 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 176.7 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | Q13 T14 F19 F20 V21 | Q13-S17 VanDerWaalsContact O-CB 3.24Å; Q13-S17 WeakPolarHBondContact O-CB 3.46Å; Q13-S17 PolarHBondContact O-N 2.91Å; Q13-S17 PolarHBondContact O-OG 3.5Å; Q13-S17 VanDerWaalsContact O-OG 3.11Å; T14-S17 WeakPolarHBondContact CA-OG 3.24Å; T14-S17 PolarHBondContact O-N 3.46Å; T14-S17 PolarHBondContact O-OG 2.79Å; S17-F19 PolarHBondContact O-N 2.87Å; S17-F20 PolarHBondContact O-N 3.27Å; S17-V21 WeakPolarHBondContact O-CG2 3.09Å; S17-V21 PolarHBondContact O-N 3.44Å |
| 18 | G | 76.2 | Confident | 74.3 | Confident | 37 Ų | 37 | 102.1 Ų | 102.1 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T14 F15 I16 V21 A22 | T14-G18 PolarHBondContact O-N 3.49Å; F15-G18 PolarHBondContact O-N 3.2Å; I16-G18 VanDerWaalsContact C-N 3.31Å; I16-G18 PolarHBondContact O-N 3Å; G18-V21 PolarHBondContact O-N 3.13Å; G18-A22 WeakPolarHBondContact O-CB 3.13Å; G18-A22 PolarHBondContact O-N 3.42Å |
| 19 | F | 82 | Confident | 75.4 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 176.3 | -177.8 | -94.5 | 0 | 0 | 0 | 112.6 | F15 I16 S17 V21 A22 V23 | F15-F19 PolarHBondContact O-N 3.34Å; I16-F19 WeakPolarHBondContact O-CB 3.43Å; I16-F19 PolarHBondContact O-N 3.13Å; S17-F19 PolarHBondContact O-N 2.87Å; F19-V21 PolarHBondContact O-N 3.36Å; F19-A22 PolarHBondContact O-N 3.27Å; F19-V23 HydrophobicContact CD1-CG2 4.3Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.05Å; F19-V23 HydrophobicContact CE2-CG2 3.52Å; F19-V23 HydrophobicContact CG-CG2 4.19Å; F19-V23 HydrophobicContact CZ-CG2 3.66Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 2.68Å |
| 20 | F | 83.9 | Confident | 76.1 | Confident | 147 Ų | 147 | 99.1 Ų | 99.1 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -20.1 | 178.3 | -80.2 | -71.7 | 0 | 0 | 0 | 113.8 | I16 S17 P24 | I16-F20 HydrophobicContact CG2-CD2 3.79Å; I16-F20 HydrophobicContact CG2-CE2 3.6Å; I16-F20 VanDerWaalsContact O-CD2 3.23Å; I16-F20 WeakPolarHBondContact O-CD2 3.5Å; I16-F20 PolarHBondContact O-N 3.03Å; I16-F20 VanDerWaalsContact O-N 3.13Å; S17-F20 PolarHBondContact O-N 3.27Å; F20-P24 WeakPolarHBondContact O-CD 3.23Å; F20-P24 WeakPolarHBondContact O-CG 3.26Å |
| 21 | V | 84.8 | Confident | 76.6 | Confident | 96 Ų | 96 | 93.9 Ų | 93.9 | 58% | 0.582 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -90.6 | -47.7 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | S17 G18 F19 V23 P24 V25 | S17-V21 WeakPolarHBondContact O-CG2 3.09Å; S17-V21 PolarHBondContact O-N 3.44Å; G18-V21 PolarHBondContact O-N 3.13Å; F19-V21 PolarHBondContact O-N 3.36Å; V21-V23 PolarHBondContact O-N 3.46Å; V21-P24 WeakPolarHBondContact O-CD 3.23Å; V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 VanDerWaalsContact O-CB 3.26Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3Å; V21-V25 VanDerWaalsContact O-N 3.13Å |
| 22 | A | 85.3 | Confident | 77.3 | Confident | 50 Ų | 50 | 90 Ų | 90 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G18 F19 T26 | G18-A22 WeakPolarHBondContact O-CB 3.13Å; G18-A22 PolarHBondContact O-N 3.42Å; F19-A22 PolarHBondContact O-N 3.27Å; A22-T26 VanDerWaalsContact O-CB 3.23Å; A22-T26 WeakPolarHBondContact O-CB 3.21Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 2.82Å |
| 23 | V | 89.2 | Confident | 78.2 | Confident | 62 Ų | 62 | 88.7 Ų | 88.7 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -53.4 | -178.1 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | F19 V21 V25 T26 V27 | F19-V23 HydrophobicContact CD1-CG2 4.3Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.05Å; F19-V23 HydrophobicContact CE2-CG2 3.52Å; F19-V23 HydrophobicContact CG-CG2 4.19Å; F19-V23 HydrophobicContact CZ-CG2 3.66Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 2.68Å; V21-V23 PolarHBondContact O-N 3.46Å; V23-V25 VanDerWaalsContact C-N 3.29Å; V23-V25 PolarHBondContact O-N 2.82Å; V23-T26 PolarHBondContact O-N 3.11Å; V23-V27 HydrophobicContact CG1-CG2 4.31Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 3.3Å |
| 24 | P | 88.9 | Confident | 79.2 | Confident | 68 Ų | 68 | 84.3 Ų | 84.3 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 176.1 | -25.4 | 36.8 | 0 | 0 | 0 | 113 | F20 V21 T28 | F20-P24 WeakPolarHBondContact O-CD 3.23Å; F20-P24 WeakPolarHBondContact O-CG 3.26Å; V21-P24 WeakPolarHBondContact O-CD 3.23Å; P24-T28 VanDerWaalsContact O-CB 3.23Å; P24-T28 WeakPolarHBondContact O-CB 3.43Å; P24-T28 PolarHBondContact O-N 3.26Å; P24-T28 PolarHBondContact O-OG1 3.5Å |
| 25 | V | 88.1 | Confident | 80.4 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 175 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | V21 V23 V27 T28 I29 | V21-V25 HydrophobicContact CG1-CG2 4.2Å; V21-V25 VanDerWaalsContact O-CB 3.26Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 3Å; V21-V25 VanDerWaalsContact O-N 3.13Å; V23-V25 VanDerWaalsContact C-N 3.29Å; V23-V25 PolarHBondContact O-N 2.82Å; V25-V27 PolarHBondContact O-N 3.38Å; V25-T28 PolarHBondContact O-N 3.44Å; V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.35Å; V25-I29 WeakPolarHBondContact O-CB 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 2.84Å |
| 26 | T | 83.6 | Confident | 81.7 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | A22 V23 T28 I29 L30 | A22-T26 VanDerWaalsContact O-CB 3.23Å; A22-T26 WeakPolarHBondContact O-CB 3.21Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 2.82Å; V23-T26 PolarHBondContact O-N 3.11Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 2.83Å; T26-I29 PolarHBondContact O-N 2.84Å; T26-L30 HydrophobicContact CG2-CD1 4.02Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CB 3.21Å; T26-L30 VanDerWaalsContact O-CG 3.28Å; T26-L30 WeakPolarHBondContact O-CG 3.23Å; T26-L30 PolarHBondContact O-N 3.21Å |
| 27 | V | 83.1 | Confident | 82.8 | Confident | 86 Ų | 86 | 76 Ų | 76 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V23 V25 L30 D31 | V23-V27 HydrophobicContact CG1-CG2 4.31Å; V23-V27 WeakPolarHBondContact O-CB 3.37Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 3.3Å; V25-V27 PolarHBondContact O-N 3.38Å; V27-L30 PolarHBondContact O-N 2.68Å; V27-D31 VanDerWaalsContact O-CB 3.3Å; V27-D31 WeakPolarHBondContact O-CB 3.47Å; V27-D31 PolarHBondContact O-N 3.07Å |
| 28 | T | 84 | Confident | 84 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.1 | P24 V25 T26 D31 K32 | P24-T28 VanDerWaalsContact O-CB 3.23Å; P24-T28 WeakPolarHBondContact O-CB 3.43Å; P24-T28 PolarHBondContact O-N 3.26Å; P24-T28 PolarHBondContact O-OG1 3.5Å; V25-T28 PolarHBondContact O-N 3.44Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 2.83Å; T28-D31 PolarHBondContact O-N 3.09Å; T28-K32 HydrophobicContact CG2-CG 4.03Å; T28-K32 VanDerWaalsContact O-CB 3.25Å; T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 WeakPolarHBondContact O-CG 3.47Å; T28-K32 PolarHBondContact O-N 3.19Å |
| 29 | I | 81.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.8 | -74 | 171.8 | 0 | 0 | 0 | 109.8 | V25 T26 K32 L33 | V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.35Å; V25-I29 WeakPolarHBondContact O-CB 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.3Å; V25-I29 PolarHBondContact O-N 2.84Å; T26-I29 PolarHBondContact O-N 2.84Å; I29-K32 PolarHBondContact O-N 3.08Å; I29-L33 HydrophobicContact CG2-CD1 3.69Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 2.89Å |
| 30 | L | 74.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.2 | -52.7 | 177.3 | -69.2 | 174.1 | 0 | 0 | 0 | 110.4 | T26 V27 K32 L33 A34 | T26-L30 HydrophobicContact CG2-CD1 4.02Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CB 3.21Å; T26-L30 VanDerWaalsContact O-CG 3.28Å; T26-L30 WeakPolarHBondContact O-CG 3.23Å; T26-L30 PolarHBondContact O-N 3.21Å; V27-L30 PolarHBondContact O-N 2.68Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.35Å; L30-L33 PolarHBondContact O-N 2.89Å; L30-A34 CarbonylContact O-C 3.46Å; L30-A34 PolarHBondContact O-N 3.1Å |
| 31 | D | 70.9 | Confident | 85.3 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 179.8 | -179.3 | 54.9 | 0 | 0 | 0 | 113.3 | V27 T28 R63 | V27-D31 VanDerWaalsContact O-CB 3.3Å; V27-D31 WeakPolarHBondContact O-CB 3.47Å; V27-D31 PolarHBondContact O-N 3.07Å; T28-D31 PolarHBondContact O-N 3.09Å; D31-R63 PolarHBondContact O-NH1 3.27Å; D31-R63 IonicContact OD1-NH1 3.85Å |
| 32 | K | 76.9 | Confident | 85.5 | Confident | 97 Ų | 97 | 72 Ų | 72 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -85.3 | -30.3 | -175.4 | -61.7 | -54 | 177 | -139.5 | 0 | 113.9 | T28 I29 L30 R63 | T28-K32 HydrophobicContact CG2-CG 4.03Å; T28-K32 VanDerWaalsContact O-CB 3.25Å; T28-K32 WeakPolarHBondContact O-CB 3.21Å; T28-K32 WeakPolarHBondContact O-CG 3.47Å; T28-K32 PolarHBondContact O-N 3.19Å; I29-K32 PolarHBondContact O-N 3.08Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.35Å; K32-R63 WeakPolarHBondContact O-CB 3.43Å |
| 33 | L | 82 | Confident | 85.7 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -101.6 | -33.6 | -173.7 | -54.4 | -172.4 | 0 | 0 | 0 | 113.4 | I29 L30 R63 W64 | I29-L33 HydrophobicContact CG2-CD1 3.69Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 WeakPolarHBondContact O-CG 3.44Å; I29-L33 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.89Å; L33-R63 PolarHBondContact O-N 2.77Å; L33-W64 HydrophobicContact CD2-CB 4.04Å; L33-W64 HydrophobicContact CD2-CD2 3.82Å; L33-W64 HydrophobicContact CD2-CE3 3.16Å; L33-W64 HydrophobicContact CD2-CG 4.22Å; L33-W64 HydrophobicContact CD2-CZ3 3.8Å |
| 34 | A | 84.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.4 | -169 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 L60 L61 | L30-A34 CarbonylContact O-C 3.46Å; L30-A34 PolarHBondContact O-N 3.1Å; A34-L60 HydrophobicContact CB-CD1 4.07Å; A34-L61 CarbonylContact C-O 3.58Å; A34-L61 WeakPolarHBondContact CA-O 3.43Å |
| 35 | Y | 87.7 | Confident | 86 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.2 | 177.2 | 179.3 | -92.7 | 0 | 0 | 0 | 110.5 | A37 L61 | Y35-A37 HydrophobicContact CD1-CB 4Å; Y35-A37 HydrophobicContact CE1-CB 3.77Å; Y35-L61 HydrophobicContact CD1-CD1 3.87Å; Y35-L61 HydrophobicContact CD1-CG 4.39Å; Y35-L61 PolarHBondContact N-O 2.83Å; Y35-L61 WeakPolarHBondContact O-CA 3.36Å; Y35-L61 WeakPolarHBondContact O-CB 3.49Å; Y35-L61 PolarHBondContact O-N 3.16Å |
| 36 | V | 91.6 | Very high | 86 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.5 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | V58 L60 I150 | V36-V58 HydrophobicContact CG1-CG1 3.23Å; V36-L60 HydrophobicContact CG2-CD1 3.93Å; V36-I150 HydrophobicContact CG1-CD1 3.84Å; V36-I150 HydrophobicContact CG2-CD1 3.98Å |
| 37 | A | 92.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y35 V58 V59 L61 | Y35-A37 HydrophobicContact CD1-CB 4Å; Y35-A37 HydrophobicContact CE1-CB 3.77Å; A37-V58 CarbonylContact O-C 3.54Å; A37-V58 WeakPolarHBondContact O-CA 3.25Å; A37-V59 HydrophobicContact CB-CG2 4.15Å; A37-V59 PolarHBondContact N-O 3.4Å; A37-V59 PolarHBondContact O-N 3.07Å; A37-L61 HydrophobicContact CB-CD1 3.88Å; A37-L61 HydrophobicContact CB-CG 4.07Å |
| 38 | R | 94.3 | Very high | 86.8 | Confident | 158 Ų | 158 | 62 Ų | 62 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.2 | 166 | -172.7 | 179.6 | 176.6 | 174.9 | 0.9 | 109.1 | E40 S56 | R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.93Å; R38-E40 IonicContact NE-OE1 3.64Å; R38-S56 VanDerWaalsContact NE-CB 3.3Å; R38-S56 PolarHBondContact NE-OG 3.16Å; R38-S56 PolarHBondContact NH2-OG 2.96Å |
| 39 | V | 92.4 | Very high | 87.2 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | trans | -96.9 | 110.5 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L48 N49 S56 D57 V59 I90 | V39-L48 HydrophobicContact CG1-CB 4.08Å; V39-L48 HydrophobicContact CG1-CD1 3.94Å; V39-L48 HydrophobicContact CG2-CD1 4.07Å; V39-N49 PolarHBondContact O-ND2 2.95Å; V39-S56 WeakPolarHBondContact O-CB 3.39Å; V39-D57 HydrophobicContact CB-CB 4.4Å; V39-D57 PolarHBondContact N-O 3.44Å; V39-V59 HydrophobicContact CG2-CB 4.36Å; V39-V59 HydrophobicContact CG2-CG1 3.78Å; V39-V59 HydrophobicContact CG2-CG2 3.7Å; V39-I90 HydrophobicContact CG1-CG2 3.89Å; V39-I90 HydrophobicContact CG2-CD1 4.03Å | ||
| 40 | E | 89.8 | Confident | 87.5 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 64% | 0.64 | 31% | 0.314 | S | S | * | . | trans | -109 | 139.1 | 179.6 | -64.2 | -179.2 | 175.9 | 0 | 0 | 110.5 | R38 | R38-E40 WeakPolarHBondContact CD-OE1 3.3Å; R38-E40 HydrophobicContact CG-CG 4.18Å; R38-E40 IonicContact CZ-OE1 3.93Å; R38-E40 IonicContact NE-OE1 3.64Å | ||
| 41 | G | 86.6 | Confident | 87.9 | Confident | 51 Ų | 51 | 58 Ų | 58 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 97.5 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N49 | G41-N49 PolarHBondContact O-ND2 2.91Š|
| 42 | A | 88.3 | Confident | 88.1 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -93.7 | -7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M44 Q45 H124 | A42-M44 PolarHBondContact O-N 3.48Å; A42-Q45 HydrophobicContact CB-CG 4.38Å; A42-Q45 VanDerWaalsContact O-CB 3.23Å; A42-Q45 WeakPolarHBondContact O-CB 3.17Å; A42-Q45 WeakPolarHBondContact O-CG 3.49Å; A42-Q45 PolarHBondContact O-N 2.89Å; A42-H124 WeakPolarHBondContact O-CB 3.25Å |
| 43 | S | 89.4 | Confident | 87.7 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.9 | -167 | 72.7 | 0 | 0 | 0 | 0 | 115.6 | K91 G122 D123 H124 | S43-K91 PolarHBondContact OG-NZ 2.98Å; S43-G122 CarbonylContact O-C 3.55Å; S43-G122 WeakPolarHBondContact O-CA 3.2Å; S43-D123 PolarHBondContact O-N 2.73Å; S43-H124 PolarHBondContact O-N 2.82Å |
| 44 | M | 92.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 10.7 | 177 | -68.2 | -61 | -65.1 | 0 | 0 | 112.6 | A42 F47 L48 I76 I90 K91 R92 | A42-M44 PolarHBondContact O-N 3.48Å; M44-F47 PolarHBondContact O-N 2.87Å; M44-L48 CarbonylContact C-O 3.54Å; M44-L48 HydrophobicContact CB-CB 3.77Å; M44-L48 HydrophobicContact CB-CD1 3.86Å; M44-L48 HydrophobicContact CB-CG 4.03Å; M44-L48 HydrophobicContact CE-CD1 4.38Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 PolarHBondContact O-N 3.47Å; M44-I76 HydrophobicContact CE-CB 4.44Å; M44-I76 HydrophobicContact CE-CD1 3.77Å; M44-I76 HydrophobicContact CE-CG1 3.84Å; M44-I76 HydrophobicContact CE-CG2 3.81Å; M44-I90 HydrophobicContact CG-CG2 3.91Å; M44-I90 WeakPolarHBondContact CG-O 3.5Å; M44-K91 VanDerWaalsContact SD-CA 3.58Å; M44-R92 HydrophobicContact CE-CB 4.33Å |
| 45 | Q | 91.8 | Very high | 87.5 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 145.1 | 172.3 | -72.7 | 178.2 | -10.7 | 0 | 0 | 110.6 | A42 L48 N49 D123 H124 | A42-Q45 HydrophobicContact CB-CG 4.38Å; A42-Q45 VanDerWaalsContact O-CB 3.23Å; A42-Q45 WeakPolarHBondContact O-CB 3.17Å; A42-Q45 WeakPolarHBondContact O-CG 3.49Å; A42-Q45 PolarHBondContact O-N 2.89Å; Q45-L48 WeakPolarHBondContact CA-O 3.36Å; Q45-L48 WeakPolarHBondContact CG-O 3.34Å; Q45-L48 PolarHBondContact N-O 2.85Å; Q45-N49 WeakPolarHBondContact CG-O 3.47Å; Q45-N49 PolarHBondContact NE2-O 3.44Å; Q45-D123 CarbonylContact O-C 3.36Å; Q45-D123 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 HydrophobicContact CB-CB 4.21Å; Q45-H124 WeakPolarHBondContact O-CA 3.49Å; Q45-H124 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 PolarHBondContact O-N 3.03Å |
| 46 | P | 89.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 66% | 0.662 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86 | -4.4 | 4.3 | 34.3 | -36 | 0 | 0 | 0 | 114.3 | P50 | P46-P50 WeakPolarHBondContact O-CB 3.32Š|
| 47 | F | 92.2 | Very high | 87.8 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -48.5 | -172.3 | -173 | -96.5 | 0 | 0 | 0 | 112.7 | M44 I76 D123 R155 I159 | M44-F47 PolarHBondContact O-N 2.87Å; F47-I76 HydrophobicContact CD1-CD1 3.29Å; F47-I76 HydrophobicContact CE1-CD1 3.24Å; F47-I76 HydrophobicContact CG-CD1 4.34Å; F47-I76 HydrophobicContact CZ-CD1 4.23Å; F47-D123 VanDerWaalsContact CB-OD2 3.24Å; F47-D123 WeakPolarHBondContact CB-OD2 3.24Å; F47-R155 PolarHBondContact O-NH2 3.29Å; F47-I159 HydrophobicContact CE1-CD1 4.44Å; F47-I159 HydrophobicContact CE1-CG1 4.17Å; F47-I159 HydrophobicContact CE1-CG2 3.99Å; F47-I159 HydrophobicContact CZ-CG1 4.27Å; F47-I159 HydrophobicContact CZ-CG2 3.95Å |
| 48 | L | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -105.5 | 140.6 | 170.6 | -55.4 | 174.3 | 0 | 0 | 0 | 109.7 | V39 M44 Q45 D57 V59 I76 I90 I149 | V39-L48 HydrophobicContact CG1-CB 4.08Å; V39-L48 HydrophobicContact CG1-CD1 3.94Å; V39-L48 HydrophobicContact CG2-CD1 4.07Å; M44-L48 CarbonylContact C-O 3.54Å; M44-L48 HydrophobicContact CB-CB 3.77Å; M44-L48 HydrophobicContact CB-CD1 3.86Å; M44-L48 HydrophobicContact CB-CG 4.03Å; M44-L48 HydrophobicContact CE-CD1 4.38Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 PolarHBondContact O-N 3.47Å; Q45-L48 WeakPolarHBondContact CA-O 3.36Å; Q45-L48 WeakPolarHBondContact CG-O 3.34Å; Q45-L48 PolarHBondContact N-O 2.85Å; L48-D57 VanDerWaalsContact CA-OD2 3.25Å; L48-D57 WeakPolarHBondContact CA-OD2 3.37Å; L48-V59 HydrophobicContact CD2-CG1 4.14Å; L48-I76 HydrophobicContact CD1-CG2 4.45Å; L48-I90 HydrophobicContact CD1-CD1 3.84Å; L48-I90 HydrophobicContact CD1-CG1 4.46Å; L48-I149 HydrophobicContact CD2-CD1 3.86Å; L48-I149 HydrophobicContact CD2-CG1 4.19Å |
| 49 | N | 91.4 | Very high | 88 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 53.3 | 54.1 | -177.3 | -56.5 | -31 | 0 | 0 | 0 | 114.5 | V39 G41 Q45 D51 S56 D57 | V39-N49 PolarHBondContact O-ND2 2.95Å; G41-N49 PolarHBondContact O-ND2 2.91Å; Q45-N49 WeakPolarHBondContact CG-O 3.47Å; Q45-N49 PolarHBondContact NE2-O 3.44Å; N49-D51 VanDerWaalsContact C-N 3.29Å; N49-D51 PolarHBondContact O-N 2.82Å; N49-S56 WeakPolarHBondContact OD1-CA 3.43Å; N49-D57 PolarHBondContact N-OD2 2.77Å; N49-D57 PolarHBondContact OD1-N 2.89Å |
| 50 | P | 86.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | trans | -58.1 | -39.2 | -173.9 | 23.7 | -33 | 0 | 0 | 0 | 113.1 | P46 | P46-P50 WeakPolarHBondContact O-CB 3.32Š| ||
| 51 | D | 84.7 | Confident | 88.3 | Confident | 109 Ų | 109 | 46 Ų | 46 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -93.3 | 119.4 | -174.7 | -58.3 | -47.1 | 0 | 0 | 0 | 111 | N49 G53 A54 | N49-D51 VanDerWaalsContact C-N 3.29Å; N49-D51 PolarHBondContact O-N 2.82Å; D51-G53 PolarHBondContact O-N 3.42Å; D51-A54 HydrophobicContact CB-CB 3.61Å; D51-A54 PolarHBondContact O-N 2.98Å |
| 52 | V | 73.5 | Confident | 88.5 | Confident | 135 Ų | 135 | 45.9 Ų | 45.9 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 115 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 53 | G | 70.1 | Confident | 88.6 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 87% | 0.866 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -1.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | D51 | D51-G53 PolarHBondContact O-N 3.42Š|
| 54 | A | 75.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -79.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D51 | D51-A54 HydrophobicContact CB-CB 3.61Å; D51-A54 PolarHBondContact O-N 2.98Å |
| 55 | Q | 84.4 | Confident | 87.7 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 58% | 0.575 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 138.7 | 175.3 | -68.2 | -173.3 | -6.3 | 0 | 0 | 111.1 | ||
| 56 | S | 91.4 | Very high | 87.1 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.9 | 176.2 | -46.3 | 0 | 0 | 0 | 0 | 111.2 | R38 V39 N49 | R38-S56 VanDerWaalsContact NE-CB 3.3Å; R38-S56 PolarHBondContact NE-OG 3.16Å; R38-S56 PolarHBondContact NH2-OG 2.96Å; V39-S56 WeakPolarHBondContact O-CB 3.39Å; N49-S56 WeakPolarHBondContact OD1-CA 3.43Å |
| 57 | D | 94.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 142.9 | 172.4 | -68.4 | -25 | 0 | 0 | 0 | 111.2 | V39 L48 N49 I149 W151 P152 R155 | V39-D57 HydrophobicContact CB-CB 4.4Å; V39-D57 PolarHBondContact N-O 3.44Å; L48-D57 VanDerWaalsContact CA-OD2 3.25Å; L48-D57 WeakPolarHBondContact CA-OD2 3.37Å; N49-D57 PolarHBondContact N-OD2 2.77Å; N49-D57 PolarHBondContact OD1-N 2.89Å; D57-I149 HydrophobicContact CB-CG2 4.41Å; D57-W151 WeakPolarHBondContact CA-O 3.39Å; D57-P152 WeakPolarHBondContact OD1-CD 3.28Å; D57-R155 IonicContact OD1-CZ 3.99Å; D57-R155 IonicContact OD1-NH1 2.81Å; D57-R155 PolarHBondContact OD1-NH1 3.32Å; D57-R155 IonicContact OD2-CZ 2.96Å; D57-R155 IonicContact OD2-NH1 3.68Å; D57-R155 PolarHBondContact OD2-NH1 2.63Å; D57-R155 IonicContact OD2-NH2 2.64Å |
| 58 | V | 95.4 | Very high | 86.2 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.2 | 166.5 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | V36 A37 I150 W151 | V36-V58 HydrophobicContact CG1-CG1 3.23Å; A37-V58 CarbonylContact O-C 3.54Å; A37-V58 WeakPolarHBondContact O-CA 3.25Å; V58-I150 HydrophobicContact CB-CG1 4.11Å; V58-I150 HydrophobicContact CG1-CD1 3.98Å; V58-I150 HydrophobicContact CG1-CG1 3.89Å; V58-I150 WeakPolarHBondContact O-CG1 3.35Å; V58-I150 PolarHBondContact O-N 3.42Å; V58-W151 HydrophobicContact CB-CB 3.74Å; V58-W151 HydrophobicContact CG2-CB 3.82Å; V58-W151 HydrophobicContact CG2-CG 4.35Å; V58-W151 PolarHBondContact N-O 2.8Å; V58-W151 PolarHBondContact O-N 2.9Å |
| 59 | V | 95.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144 | -178.8 | -61 | 0 | 0 | 0 | 0 | 111.1 | A37 V39 L48 L61 I90 A146 H148 I149 I159 | A37-V59 HydrophobicContact CB-CG2 4.15Å; A37-V59 PolarHBondContact N-O 3.4Å; A37-V59 PolarHBondContact O-N 3.07Å; V39-V59 HydrophobicContact CG2-CB 4.36Å; V39-V59 HydrophobicContact CG2-CG1 3.78Å; V39-V59 HydrophobicContact CG2-CG2 3.7Å; L48-V59 HydrophobicContact CD2-CG1 4.14Å; V59-L61 HydrophobicContact CG2-CD2 3.71Å; V59-L61 HydrophobicContact CG2-CG 4.37Å; V59-I90 HydrophobicContact CG2-CD1 4.04Å; V59-A146 HydrophobicContact CB-CB 4.44Å; V59-A146 HydrophobicContact CG2-CB 4.47Å; V59-H148 CarbonylContact C-O 3.55Å; V59-H148 VanDerWaalsContact CA-O 3.26Å; V59-H148 WeakPolarHBondContact CA-O 3.38Å; V59-I149 HydrophobicContact CG1-CG1 4.34Å; V59-I159 HydrophobicContact CG1-CD1 4.33Å |
| 60 | L | 94.7 | Very high | 85.4 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.4 | 171.2 | -173.2 | 67.6 | 0 | 0 | 0 | 109.6 | A34 V36 S147 H148 I150 | A34-L60 HydrophobicContact CB-CD1 4.07Å; V36-L60 HydrophobicContact CG2-CD1 3.93Å; L60-S147 PolarHBondContact O-N 2.64Å; L60-S147 PolarHBondContact O-OG 2.68Å; L60-H148 HydrophobicContact CB-CB 4.31Å; L60-H148 PolarHBondContact N-O 3.5Å; L60-I150 HydrophobicContact CB-CG2 3.97Å |
| 61 | L | 93.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.9 | 175.8 | -53.8 | -173.4 | 0 | 0 | 0 | 110.6 | A34 Y35 A37 V59 S78 R145 A146 | A34-L61 CarbonylContact C-O 3.58Å; A34-L61 WeakPolarHBondContact CA-O 3.43Å; Y35-L61 HydrophobicContact CD1-CD1 3.87Å; Y35-L61 HydrophobicContact CD1-CG 4.39Å; Y35-L61 PolarHBondContact N-O 2.83Å; Y35-L61 WeakPolarHBondContact O-CA 3.36Å; Y35-L61 WeakPolarHBondContact O-CB 3.49Å; Y35-L61 PolarHBondContact O-N 3.16Å; A37-L61 HydrophobicContact CB-CD1 3.88Å; A37-L61 HydrophobicContact CB-CG 4.07Å; V59-L61 HydrophobicContact CG2-CD2 3.71Å; V59-L61 HydrophobicContact CG2-CG 4.37Å; L61-S78 VanDerWaalsContact CD1-CB 3.47Å; L61-R145 CarbonylContact C-O 3.51Å; L61-R145 WeakPolarHBondContact CA-O 3.23Å; L61-A146 HydrophobicContact CD2-CB 3.77Å |
| 62 | N | 91.9 | Very high | 86.1 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 110.7 | 170.3 | -176.3 | -23.5 | 0 | 0 | 0 | 109.4 | W64 S65 R145 | N62-W64 WeakPolarHBondContact OD1-CA 3.39Å; N62-W64 WeakPolarHBondContact OD1-CB 3.46Å; N62-W64 PolarHBondContact OD1-N 2.94Å; N62-S65 PolarHBondContact OD1-N 2.84Å; N62-R145 PolarHBondContact N-O 3.02Å; N62-R145 PolarHBondContact O-N 2.69Å |
| 63 | R | 88.5 | Confident | 87.1 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -81.7 | -23.7 | 177.3 | -66.5 | -170.6 | 167.4 | 156.1 | -1.4 | 112.7 | D31 K32 L33 V66 R67 H143 | D31-R63 PolarHBondContact O-NH1 3.27Å; D31-R63 IonicContact OD1-NH1 3.85Å; K32-R63 WeakPolarHBondContact O-CB 3.43Å; L33-R63 PolarHBondContact O-N 2.77Å; R63-V66 PolarHBondContact O-N 2.75Å; R63-R67 PolarHBondContact O-N 2.83Å; R63-H143 WeakPolarHBondContact CG-O 3.33Å; R63-H143 PolarHBondContact NH2-CE1 3.3Å; R63-H143 PolarHBondContact NH2-NE2 2.74Å |
| 64 | W | 83.9 | Confident | 88.3 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 179.3 | -170.6 | -95.6 | 0 | 0 | 0 | 112.4 | L33 N62 V66 R67 N68 | L33-W64 HydrophobicContact CD2-CB 4.04Å; L33-W64 HydrophobicContact CD2-CD2 3.82Å; L33-W64 HydrophobicContact CD2-CE3 3.16Å; L33-W64 HydrophobicContact CD2-CG 4.22Å; L33-W64 HydrophobicContact CD2-CZ3 3.8Å; N62-W64 WeakPolarHBondContact OD1-CA 3.39Å; N62-W64 WeakPolarHBondContact OD1-CB 3.46Å; N62-W64 PolarHBondContact OD1-N 2.94Å; W64-V66 PolarHBondContact O-N 2.85Å; W64-V66 VanDerWaalsContact O-N 3.16Å; W64-R67 PolarHBondContact O-N 2.82Å; W64-R67 VanDerWaalsContact O-N 3.08Å; W64-N68 PolarHBondContact NE1-ND2 2.84Å; W64-N68 VanDerWaalsContact NE1-ND2 3.11Å; W64-N68 PolarHBondContact O-N 2.84Å |
| 65 | S | 79.3 | Confident | 89.3 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.3 | -36.2 | 175.8 | -159.6 | 0 | 0 | 0 | 0 | 111.6 | N62 Q70 R145 | N62-S65 PolarHBondContact OD1-N 2.84Å; S65-Q70 WeakPolarHBondContact O-CA 3.14Å; S65-Q70 WeakPolarHBondContact O-CB 3.25Å; S65-Q70 PolarHBondContact O-N 3.47Å; S65-Q70 PolarHBondContact OG-O 3.27Å; S65-R145 PolarHBondContact OG-NH1 3.32Å |
| 66 | V | 80.3 | Confident | 89.9 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.3 | -44.8 | 178.4 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | R63 W64 N68 N69 L142 | R63-V66 PolarHBondContact O-N 2.75Å; W64-V66 PolarHBondContact O-N 2.85Å; W64-V66 VanDerWaalsContact O-N 3.16Å; V66-N68 PolarHBondContact O-N 3.45Å; V66-N69 PolarHBondContact O-N 3.23Å; V66-L142 HydrophobicContact CB-CD2 3.92Å; V66-L142 HydrophobicContact CB-CG 4.34Å; V66-L142 HydrophobicContact CG1-CB 3.72Å; V66-L142 HydrophobicContact CG1-CD2 3.59Å; V66-L142 HydrophobicContact CG1-CG 3.79Å; V66-L142 HydrophobicContact CG2-CD2 3.42Å; V66-L142 VanDerWaalsContact CG2-CD2 3.42Å; V66-L142 HydrophobicContact CG2-CG 3.73Å |
| 67 | R | 79.8 | Confident | 90.1 | Very high | 165 Ų | 165 | 49.2 Ų | 49.2 | 62% | 0.623 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61 | -32.2 | 179.6 | -72 | -176 | 178.6 | -143.8 | -2.9 | 113.1 | R63 W64 N69 | R63-R67 PolarHBondContact O-N 2.83Å; W64-R67 PolarHBondContact O-N 2.82Å; W64-R67 VanDerWaalsContact O-N 3.08Å; R67-N69 VanDerWaalsContact C-N 3.29Å |
| 68 | N | 82.7 | Confident | 90.1 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 11.9 | 179.7 | -67.8 | 2.8 | 0 | 0 | 0 | 113 | W64 V66 Q70 | W64-N68 PolarHBondContact NE1-ND2 2.84Å; W64-N68 VanDerWaalsContact NE1-ND2 3.11Å; W64-N68 PolarHBondContact O-N 2.84Å; V66-N68 PolarHBondContact O-N 3.45Å; N68-Q70 HydrophobicContact CB-CG 3.91Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.09Å |
| 69 | N | 78.8 | Confident | 90.1 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29.6 | -174.8 | -63.8 | -32.8 | 0 | 0 | 0 | 113.5 | V66 R67 V71 | V66-N69 PolarHBondContact O-N 3.23Å; R67-N69 VanDerWaalsContact C-N 3.29Å; N69-V71 VanDerWaalsContact C-N 3.25Å; N69-V71 PolarHBondContact O-N 3Å; N69-V71 VanDerWaalsContact O-N 3.1Å |
| 70 | Q | 85.9 | Confident | 90.1 | Very high | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | trans | -89.1 | 64.2 | 178.2 | -63.9 | -177.4 | -44 | 0 | 0 | 109.9 | S65 N68 | S65-Q70 WeakPolarHBondContact O-CA 3.14Å; S65-Q70 WeakPolarHBondContact O-CB 3.25Å; S65-Q70 PolarHBondContact O-N 3.47Å; S65-Q70 PolarHBondContact OG-O 3.27Å; N68-Q70 HydrophobicContact CB-CG 3.91Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.09Å | ||
| 71 | V | 92 | Very high | 90.1 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | trans | -112.9 | 129.6 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | N69 D75 V77 V93 L96 L118 L142 | N69-V71 VanDerWaalsContact C-N 3.25Å; N69-V71 PolarHBondContact O-N 3Å; N69-V71 VanDerWaalsContact O-N 3.1Å; V71-D75 HydrophobicContact CG1-CB 4.44Å; V71-V77 HydrophobicContact CG1-CG1 4.19Å; V71-V93 HydrophobicContact CG1-CG1 4.39Å; V71-V93 HydrophobicContact CG1-CG2 3.81Å; V71-L96 HydrophobicContact CG1-CD2 4.35Å; V71-L118 HydrophobicContact CG1-CD1 4.34Å; V71-L118 HydrophobicContact CG1-CD2 4.48Å; V71-L142 HydrophobicContact CG2-CD2 3.41Å; V71-L142 VanDerWaalsContact CG2-CD2 3.41Å | ||
| 72 | Q | 94.6 | Very high | 90.1 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | trans | -116.6 | 160 | -179.2 | -63 | 177.5 | 42.8 | 0 | 0 | 110.1 | G74 D75 | Q72-G74 PolarHBondContact O-N 2.91Å; Q72-D75 PolarHBondContact N-OD2 3.24Å; Q72-D75 VanDerWaalsContact O-CB 3.25Å; Q72-D75 WeakPolarHBondContact O-CB 3.37Å; Q72-D75 PolarHBondContact O-N 3.28Å; Q72-D75 VanDerWaalsContact O-N 3.16Å | ||
| 73 | R | 95.6 | Very high | 90.1 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 140.6 | 170.9 | -57.8 | 177.5 | -170.3 | 147.8 | 0 | 109.4 | D75 L96 D99 L163 | R73-D75 VanDerWaalsContact C-N 3.25Å; R73-D75 PolarHBondContact O-N 3.12Å; R73-L96 HydrophobicContact CG-CD1 4.07Å; R73-L96 HydrophobicContact CG-CG 3.86Å; R73-D99 IonicContact CZ-OD1 3.49Å; R73-D99 IonicContact CZ-OD2 3.36Å; R73-D99 IonicContact NE-OD1 2.71Å; R73-D99 IonicContact NE-OD2 3.52Å; R73-D99 PolarHBondContact NE-OD2 2.81Å; R73-D99 VanDerWaalsContact NH2-CG 3.29Å; R73-D99 IonicContact NH2-OD1 2.63Å; R73-D99 PolarHBondContact NH2-OD1 3.49Å; R73-D99 IonicContact NH2-OD2 3.32Å; R73-D99 PolarHBondContact NH2-OD2 3.24Å; R73-L163 HydrophobicContact CB-CD1 4.02Å; R73-L163 HydrophobicContact CB-CD2 4.27Å; R73-L163 HydrophobicContact CB-CG 4.35Å |
| 74 | G | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -4.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q72 R92 V93 P161 S162 | Q72-G74 PolarHBondContact O-N 2.91Å; G74-R92 PolarHBondContact O-NH1 3.43Å; G74-R92 VanDerWaalsContact O-NH1 3.07Å; G74-V93 WeakPolarHBondContact CA-O 3.33Å; G74-V93 PolarHBondContact N-O 2.9Å; G74-P161 WeakPolarHBondContact O-CA 3.45Å; G74-S162 WeakPolarHBondContact CA-O 3.5Å; G74-S162 PolarHBondContact O-N 2.8Å; G74-S162 VanDerWaalsContact O-N 3.15Å |
| 75 | D | 96.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | trans | -64.9 | 147.6 | 171.7 | -84.3 | -28.7 | 0 | 0 | 0 | 111.3 | V71 Q72 R73 V77 R92 V93 R145 P161 | V71-D75 HydrophobicContact CG1-CB 4.44Å; Q72-D75 PolarHBondContact N-OD2 3.24Å; Q72-D75 VanDerWaalsContact O-CB 3.25Å; Q72-D75 WeakPolarHBondContact O-CB 3.37Å; Q72-D75 PolarHBondContact O-N 3.28Å; Q72-D75 VanDerWaalsContact O-N 3.16Å; R73-D75 VanDerWaalsContact C-N 3.25Å; R73-D75 PolarHBondContact O-N 3.12Å; D75-V77 HydrophobicContact CB-CG1 4.31Å; D75-R92 CarbonylContact O-C 3.46Å; D75-R92 WeakPolarHBondContact O-CA 3.28Å; D75-V93 HydrophobicContact CB-CG2 4.33Å; D75-V93 PolarHBondContact O-N 2.77Å; D75-R145 HydrophobicContact CB-CG 4.19Å; D75-R145 VanDerWaalsContact OD2-CD 3.32Å; D75-R145 WeakPolarHBondContact OD2-CD 3.47Å; D75-P161 WeakPolarHBondContact OD1-CG 3.23Å | ||
| 76 | I | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126 | 168.7 | -61.3 | 175.8 | 0 | 0 | 0 | 108.1 | M44 F47 L48 I90 K91 R145 A146 I159 | M44-I76 HydrophobicContact CE-CB 4.44Å; M44-I76 HydrophobicContact CE-CD1 3.77Å; M44-I76 HydrophobicContact CE-CG1 3.84Å; M44-I76 HydrophobicContact CE-CG2 3.81Å; F47-I76 HydrophobicContact CD1-CD1 3.29Å; F47-I76 HydrophobicContact CE1-CD1 3.24Å; F47-I76 HydrophobicContact CG-CD1 4.34Å; F47-I76 HydrophobicContact CZ-CD1 4.23Å; L48-I76 HydrophobicContact CD1-CG2 4.45Å; I76-I90 HydrophobicContact CG2-CD1 3.65Å; I76-I90 HydrophobicContact CG2-CG1 3.44Å; I76-I90 VanDerWaalsContact CG2-CG1 3.44Å; I76-K91 CarbonylContact C-O 3.58Å; I76-K91 WeakPolarHBondContact CA-O 3.12Å; I76-R145 CarbonylContact O-C 3.53Å; I76-A146 HydrophobicContact CB-CB 4.05Å; I76-A146 HydrophobicContact CG2-CB 3.91Å; I76-A146 PolarHBondContact O-N 2.96Å; I76-I159 HydrophobicContact CD1-CG2 4.01Å; I76-I159 HydrophobicContact CG1-CG2 4.43Å |
| 77 | V | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.7 | -174.5 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | V71 D75 V79 I90 K91 V93 I120 L142 G144 R145 | V71-V77 HydrophobicContact CG1-CG1 4.19Å; D75-V77 HydrophobicContact CB-CG1 4.31Å; V77-V79 HydrophobicContact CG2-CG1 4.17Å; V77-I90 WeakPolarHBondContact O-CA 3.28Å; V77-K91 PolarHBondContact N-O 2.88Å; V77-K91 PolarHBondContact O-N 3.1Å; V77-V93 HydrophobicContact CB-CG2 4.33Å; V77-V93 HydrophobicContact CG1-CG2 3.72Å; V77-V93 HydrophobicContact CG2-CG2 3.63Å; V77-I120 HydrophobicContact CG2-CG2 4.2Å; V77-L142 HydrophobicContact CB-CD1 3.53Å; V77-L142 HydrophobicContact CG1-CD1 3.93Å; V77-L142 HydrophobicContact CG2-CD1 3.75Å; V77-G144 WeakPolarHBondContact CA-O 3.45Å; V77-R145 HydrophobicContact CG1-CG 4.32Å |
| 78 | S | 95.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.7 | 165.2 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L61 I89 H143 G144 | L61-S78 VanDerWaalsContact CD1-CB 3.47Å; S78-I89 CarbonylContact C-O 3.54Å; S78-I89 VanDerWaalsContact CA-O 3.27Å; S78-I89 WeakPolarHBondContact CA-O 3.37Å; S78-H143 WeakPolarHBondContact O-CA 3.5Å; S78-H143 WeakPolarHBondContact O-CB 3.27Å; S78-H143 PolarHBondContact O-N 2.92Å; S78-G144 PolarHBondContact N-O 2.78Å; S78-G144 PolarHBondContact O-N 3.36Å |
| 79 | V | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.4 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | V77 K88 I89 I120 V137 L141 L142 | V77-V79 HydrophobicContact CG2-CG1 4.17Å; V79-K88 CarbonylContact O-C 3.27Å; V79-K88 WeakPolarHBondContact O-CA 3.45Å; V79-I89 HydrophobicContact CG2-CD1 3.79Å; V79-I89 HydrophobicContact CG2-CG1 3.36Å; V79-I89 PolarHBondContact N-O 3.41Å; V79-I89 PolarHBondContact O-N 2.99Å; V79-I120 HydrophobicContact CG1-CD1 4.2Å; V79-I120 HydrophobicContact CG2-CD1 3.57Å; V79-V137 HydrophobicContact CB-CG1 4.45Å; V79-V137 HydrophobicContact CG1-CG1 4.33Å; V79-L141 CarbonylContact C-O 3.56Å; V79-L141 VanDerWaalsContact CA-O 3.28Å; V79-L141 WeakPolarHBondContact CA-O 3.35Å; V79-L142 HydrophobicContact CG1-CD1 3.5Å; V79-L142 VanDerWaalsContact CG1-CD1 3.5Å |
| 80 | V | 95.4 | Very high | 94 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.7 | 163.5 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | P82 P85 L141 | V80-P82 WeakPolarHBondContact O-CD 3.47Å; V80-P85 HydrophobicContact CG1-CB 4.49Å; V80-P85 WeakPolarHBondContact CG1-O 3.38Å; V80-L141 HydrophobicContact CB-CD2 4.22Å; V80-L141 PolarHBondContact N-O 2.75Å |
| 81 | S | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 125.9 | -177.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | R83 N84 Q87 | S81-R83 PolarHBondContact O-N 3.45Å; S81-R83 PolarHBondContact OG-N 2.79Å; S81-N84 WeakPolarHBondContact CB-O 3.48Å; S81-N84 CarbonylContact O-C 3.53Å; S81-N84 VanDerWaalsContact O-C 3.27Å; S81-N84 PolarHBondContact O-N 3.44Å; S81-N84 PolarHBondContact OG-N 3.06Å; S81-Q87 WeakPolarHBondContact CB-O 3.46Å; S81-Q87 PolarHBondContact N-O 3.16Å |
| 82 | P | 93.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 53 Ų | 53 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.6 | 174.4 | -21.7 | 31.1 | 0 | 0 | 0 | 113.1 | V80 F134 V137 L141 | V80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-F134 HydrophobicContact CG-CD2 4.08Å; P82-F134 HydrophobicContact CG-CE2 4.23Å; P82-F134 HydrophobicContact CG-CG 4.33Å; P82-V137 HydrophobicContact CG-CG1 4.46Å; P82-V137 HydrophobicContact CG-CG2 4.34Å; P82-L141 HydrophobicContact CB-CD1 4.31Å; P82-L141 HydrophobicContact CG-CD1 3.86Å |
| 83 | R | 91.9 | Very high | 94.8 | Very high | 157 Ų | 157 | 47.4 Ų | 47.4 | 59% | 0.592 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -28.9 | 179 | -67.7 | -161.4 | -179.5 | -173.4 | -2.9 | 113.4 | S81 C133 F134 | S81-R83 PolarHBondContact O-N 3.45Å; S81-R83 PolarHBondContact OG-N 2.79Å; R83-C133 PolarHBondContact NH2-O 3.03Å; R83-F134 HydrophobicContact CG-CB 4.49Å |
| 84 | N | 93.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 101.6 | -179.2 | -175.3 | -6.9 | 0 | 0 | 0 | 110.4 | S81 K86 Q87 | S81-N84 WeakPolarHBondContact CB-O 3.48Å; S81-N84 CarbonylContact O-C 3.53Å; S81-N84 VanDerWaalsContact O-C 3.27Å; S81-N84 PolarHBondContact O-N 3.44Å; S81-N84 PolarHBondContact OG-N 3.06Å; N84-K86 PolarHBondContact O-N 2.85Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 3.24Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å; N84-Q87 HydrophobicContact CB-CB 4.22Å; N84-Q87 PolarHBondContact O-N 3.32Å |
| 85 | P | 92.9 | Very high | 94.9 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 70% | 0.695 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -18.7 | -177.8 | -25.6 | 34.6 | 0 | 0 | 0 | 115 | V80 Q87 | V80-P85 HydrophobicContact CG1-CB 4.49Å; V80-P85 WeakPolarHBondContact CG1-O 3.38Å; P85-Q87 VanDerWaalsContact C-N 3.3Å |
| 86 | K | 93.4 | Very high | 94.8 | Very high | 203 Ų | 203 | 43.8 Ų | 43.8 | 88% | 0.883 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -13.3 | 176.5 | -61.8 | -175.5 | 179.8 | -180 | 0 | 112.8 | N84 | N84-K86 PolarHBondContact O-N 2.85Å; N84-K86 WeakPolarHBondContact OD1-CB 3.4Å; N84-K86 PolarHBondContact OD1-N 3.24Å; N84-K86 VanDerWaalsContact OD1-N 3.11Å |
| 87 | Q | 92.4 | Very high | 94.8 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.2 | -176.8 | -171.9 | 178.5 | 10 | 0 | 0 | 111 | S81 N84 P85 I89 | S81-Q87 WeakPolarHBondContact CB-O 3.46Å; S81-Q87 PolarHBondContact N-O 3.16Å; N84-Q87 HydrophobicContact CB-CB 4.22Å; N84-Q87 PolarHBondContact O-N 3.32Å; P85-Q87 VanDerWaalsContact C-N 3.3Å; Q87-I89 HydrophobicContact CG-CG2 4.34Å |
| 88 | K | 94 | Very high | 94.7 | Very high | 93 Ų | 93 | 50 Ų | 50 | 40% | 0.404 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.1 | 167.3 | -63.1 | 174.5 | -170.9 | 169.5 | 0 | 108.8 | V79 H143 | V79-K88 CarbonylContact O-C 3.27Å; V79-K88 WeakPolarHBondContact O-CA 3.45Å; K88-H143 PolarHBondContact NZ-CE1 2.94Å; K88-H143 PolarHBondContact NZ-NE2 3.16Å |
| 89 | I | 95 | Very high | 94.7 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.7 | 175.1 | 60.4 | 176.2 | 0 | 0 | 0 | 108.8 | S78 V79 Q87 K91 F134 | S78-I89 CarbonylContact C-O 3.54Å; S78-I89 VanDerWaalsContact CA-O 3.27Å; S78-I89 WeakPolarHBondContact CA-O 3.37Å; V79-I89 HydrophobicContact CG2-CD1 3.79Å; V79-I89 HydrophobicContact CG2-CG1 3.36Å; V79-I89 PolarHBondContact N-O 3.41Å; V79-I89 PolarHBondContact O-N 2.99Å; Q87-I89 HydrophobicContact CG-CG2 4.34Å; I89-K91 HydrophobicContact CD1-CG 4.26Å; I89-K91 HydrophobicContact CG1-CG 4.44Å; I89-F134 HydrophobicContact CD1-CE1 4.1Å; I89-F134 HydrophobicContact CD1-CZ 4.1Å |
| 90 | I | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128 | 174.4 | -171.6 | 165.3 | 0 | 0 | 0 | 108.5 | V39 M44 L48 V59 I76 V77 A146 | V39-I90 HydrophobicContact CG1-CG2 3.89Å; V39-I90 HydrophobicContact CG2-CD1 4.03Å; M44-I90 HydrophobicContact CG-CG2 3.91Å; M44-I90 WeakPolarHBondContact CG-O 3.5Å; L48-I90 HydrophobicContact CD1-CD1 3.84Å; L48-I90 HydrophobicContact CD1-CG1 4.46Å; V59-I90 HydrophobicContact CG2-CD1 4.04Å; I76-I90 HydrophobicContact CG2-CD1 3.65Å; I76-I90 HydrophobicContact CG2-CG1 3.44Å; I76-I90 VanDerWaalsContact CG2-CG1 3.44Å; V77-I90 WeakPolarHBondContact O-CA 3.28Å; I90-A146 HydrophobicContact CD1-CB 4.36Å |
| 91 | K | 95.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 161 | -174.1 | -60.7 | -62.7 | 161.1 | -172.2 | 0 | 110.4 | S43 M44 I76 V77 I89 I120 S128 L129 D130 | S43-K91 PolarHBondContact OG-NZ 2.98Å; M44-K91 VanDerWaalsContact SD-CA 3.58Å; I76-K91 CarbonylContact C-O 3.58Å; I76-K91 WeakPolarHBondContact CA-O 3.12Å; V77-K91 PolarHBondContact N-O 2.88Å; V77-K91 PolarHBondContact O-N 3.1Å; I89-K91 HydrophobicContact CD1-CG 4.26Å; I89-K91 HydrophobicContact CG1-CG 4.44Å; K91-I120 HydrophobicContact CB-CB 3.78Å; K91-I120 HydrophobicContact CB-CD1 3.9Å; K91-I120 HydrophobicContact CB-CG1 4.01Å; K91-I120 HydrophobicContact CG-CD1 3.92Å; K91-I120 HydrophobicContact CG-CG1 4.21Å; K91-S128 PolarHBondContact NZ-OG 2.87Å; K91-L129 WeakPolarHBondContact CE-O 3.25Å; K91-D130 HydrophobicContact CD-CB 4.13Å |
| 92 | R | 96.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.5 | 171.9 | -171.1 | 176 | -63.3 | -80.8 | -4.5 | 110.5 | M44 G74 D75 I94 I120 E121 D123 S162 | M44-R92 HydrophobicContact CE-CB 4.33Å; G74-R92 PolarHBondContact O-NH1 3.43Å; G74-R92 VanDerWaalsContact O-NH1 3.07Å; D75-R92 CarbonylContact O-C 3.46Å; D75-R92 WeakPolarHBondContact O-CA 3.28Å; R92-I94 HydrophobicContact CB-CD1 4.46Å; R92-I94 HydrophobicContact CG-CD1 4.21Å; R92-I94 PolarHBondContact O-N 3.31Å; R92-I120 CarbonylContact O-C 3.57Å; R92-I120 WeakPolarHBondContact O-CA 3.27Å; R92-E121 PolarHBondContact N-O 3.33Å; R92-E121 PolarHBondContact O-N 3.25Å; R92-D123 IonicContact CZ-OD1 2.62Å; R92-D123 IonicContact CZ-OD2 2.58Å; R92-D123 IonicContact NE-OD1 3.27Å; R92-D123 PolarHBondContact NE-OD1 3.49Å; R92-D123 IonicContact NE-OD2 3.96Å; R92-D123 PolarHBondContact NE-OD2 2.71Å; R92-D123 IonicContact NH2-OD1 3.66Å; R92-D123 IonicContact NH2-OD2 3.62Å; R92-D123 PolarHBondContact NH2-OD2 2.84Å; R92-S162 WeakPolarHBondContact CD-O 3.26Å; R92-S162 PolarHBondContact NH1-O 3.47Å; R92-S162 PolarHBondContact NH1-OG 2.74Å |
| 93 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | V71 G74 D75 V77 L96 L118 I120 L163 | V71-V93 HydrophobicContact CG1-CG1 4.39Å; V71-V93 HydrophobicContact CG1-CG2 3.81Å; G74-V93 WeakPolarHBondContact CA-O 3.33Å; G74-V93 PolarHBondContact N-O 2.9Å; D75-V93 HydrophobicContact CB-CG2 4.33Å; D75-V93 PolarHBondContact O-N 2.77Å; V77-V93 HydrophobicContact CB-CG2 4.33Å; V77-V93 HydrophobicContact CG1-CG2 3.72Å; V77-V93 HydrophobicContact CG2-CG2 3.63Å; V93-L96 HydrophobicContact CG1-CD2 3.76Å; V93-L118 HydrophobicContact CG1-CD2 4.22Å; V93-L118 HydrophobicContact CG2-CD1 4.4Å; V93-I120 HydrophobicContact CG2-CG2 4.25Å; V93-L163 WeakPolarHBondContact O-CD2 3.48Å |
| 94 | I | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -43.6 | 177.2 | -57 | -55.5 | 0 | 0 | 0 | 110 | R92 I101 W119 E121 L163 P164 R167 | R92-I94 HydrophobicContact CB-CD1 4.46Å; R92-I94 HydrophobicContact CG-CD1 4.21Å; R92-I94 PolarHBondContact O-N 3.31Å; I94-I101 HydrophobicContact CG2-CD1 4.27Å; I94-I101 HydrophobicContact CG2-CG2 4.43Å; I94-W119 PolarHBondContact N-O 3.49Å; I94-E121 HydrophobicContact CD1-CB 4.29Å; I94-E121 HydrophobicContact CG1-CB 3.71Å; I94-E121 HydrophobicContact CG1-CG 3.67Å; I94-L163 HydrophobicContact CD1-CD2 4.17Å; I94-P164 HydrophobicContact CD1-CG 4.12Å; I94-R167 HydrophobicContact CD1-CB 4.48Å; I94-R167 HydrophobicContact CG2-CB 4.16Å; I94-R167 WeakPolarHBondContact CG2-O 3.36Å |
| 95 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D99 W119 | G95-D99 VanDerWaalsContact CA-OD2 3.27Å; G95-D99 WeakPolarHBondContact CA-OD2 3.39Å; G95-W119 PolarHBondContact N-O 2.79Å; G95-W119 VanDerWaalsContact N-O 3.16Å; G95-W119 PolarHBondContact O-N 2.78Å |
| 96 | L | 95.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | trans | -99.3 | 177 | 170 | -60 | -180 | 0 | 0 | 0 | 110.2 | V71 R73 V93 G98 D99 V113 L118 | V71-L96 HydrophobicContact CG1-CD2 4.35Å; R73-L96 HydrophobicContact CG-CD1 4.07Å; R73-L96 HydrophobicContact CG-CG 3.86Å; V93-L96 HydrophobicContact CG1-CD2 3.76Å; L96-G98 PolarHBondContact O-N 3.37Å; L96-D99 PolarHBondContact N-OD2 2.93Å; L96-D99 VanDerWaalsContact O-CB 3.25Å; L96-D99 WeakPolarHBondContact O-CB 3.15Å; L96-D99 VanDerWaalsContact O-CG 3.31Å; L96-D99 PolarHBondContact O-N 2.76Å; L96-D99 VanDerWaalsContact O-N 3.16Å; L96-V113 WeakPolarHBondContact O-CB 3.34Å; L96-V113 WeakPolarHBondContact O-CG1 3.26Å; L96-L118 HydrophobicContact CD2-CD2 3.41Å; L96-L118 VanDerWaalsContact CD2-CD2 3.41Å | ||
| 97 | E | 94.9 | Very high | 93.1 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.5 | 175 | 59.4 | -176.5 | -168.7 | 0 | 0 | 112.6 | D99 G116 H117 | E97-D99 VanDerWaalsContact C-N 3.26Å; E97-D99 PolarHBondContact O-N 2.77Å; E97-G116 PolarHBondContact OE2-N 2.99Å; E97-H117 PolarHBondContact N-O 2.82Å |
| 98 | G | 94.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -21.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L96 V113 | L96-G98 PolarHBondContact O-N 3.37Å; G98-V113 PolarHBondContact N-O 2.83Å |
| 99 | D | 95.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | trans | -64.4 | 142.3 | -177.1 | -69.1 | -2.7 | 0 | 0 | 0 | 112.5 | R73 G95 L96 E97 I101 R112 V113 P169 | R73-D99 IonicContact CZ-OD1 3.49Å; R73-D99 IonicContact CZ-OD2 3.36Å; R73-D99 IonicContact NE-OD1 2.71Å; R73-D99 IonicContact NE-OD2 3.52Å; R73-D99 PolarHBondContact NE-OD2 2.81Å; R73-D99 VanDerWaalsContact NH2-CG 3.29Å; R73-D99 IonicContact NH2-OD1 2.63Å; R73-D99 PolarHBondContact NH2-OD1 3.49Å; R73-D99 IonicContact NH2-OD2 3.32Å; R73-D99 PolarHBondContact NH2-OD2 3.24Å; G95-D99 VanDerWaalsContact CA-OD2 3.27Å; G95-D99 WeakPolarHBondContact CA-OD2 3.39Å; L96-D99 PolarHBondContact N-OD2 2.93Å; L96-D99 VanDerWaalsContact O-CB 3.25Å; L96-D99 WeakPolarHBondContact O-CB 3.15Å; L96-D99 VanDerWaalsContact O-CG 3.31Å; L96-D99 PolarHBondContact O-N 2.76Å; L96-D99 VanDerWaalsContact O-N 3.16Å; E97-D99 VanDerWaalsContact C-N 3.26Å; E97-D99 PolarHBondContact O-N 2.77Å; D99-I101 HydrophobicContact CB-CD1 4.07Å; D99-I101 HydrophobicContact CB-CG1 4.33Å; D99-R112 CarbonylContact O-C 3.47Å; D99-R112 WeakPolarHBondContact O-CA 3.49Å; D99-V113 HydrophobicContact CB-CG2 4.23Å; D99-V113 PolarHBondContact O-N 3.42Å; D99-P169 HydrophobicContact CB-CB 4.07Å; D99-P169 HydrophobicContact CB-CG 4.21Å; D99-P169 WeakPolarHBondContact OD2-CG 3.45Å | ||
| 100 | F | 94.6 | Very high | 92.5 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.3 | 168.5 | -77.5 | -89.2 | 0 | 0 | 0 | 109.9 | R112 P169 L170 A172 | F100-R112 HydrophobicContact CD1-CB 3.99Å; F100-R112 HydrophobicContact CD1-CG 4.38Å; F100-R112 HydrophobicContact CD2-CG 4.4Å; F100-R112 HydrophobicContact CE1-CB 3.69Å; F100-R112 HydrophobicContact CE1-CG 4.02Å; F100-R112 HydrophobicContact CE2-CG 4.03Å; F100-R112 HydrophobicContact CZ-CB 4.04Å; F100-R112 HydrophobicContact CZ-CG 3.84Å; F100-P169 WeakPolarHBondContact O-CA 3.42Å; F100-L170 HydrophobicContact CB-CB 4.22Å; F100-L170 PolarHBondContact O-N 3.24Å; F100-A172 HydrophobicContact CD2-CB 4.36Å; F100-A172 HydrophobicContact CE2-CB 4.42Å |
| 101 | I | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.7 | -177.1 | -56.5 | -58.2 | 0 | 0 | 0 | 110 | I94 D99 T103 Y110 V111 V113 W119 P169 | I94-I101 HydrophobicContact CG2-CD1 4.27Å; I94-I101 HydrophobicContact CG2-CG2 4.43Å; D99-I101 HydrophobicContact CB-CD1 4.07Å; D99-I101 HydrophobicContact CB-CG1 4.33Å; I101-T103 PolarHBondContact O-N 3.37Å; I101-Y110 WeakPolarHBondContact O-CA 3.34Å; I101-V111 PolarHBondContact N-O 3.21Å; I101-V111 PolarHBondContact O-N 2.9Å; I101-V113 HydrophobicContact CG1-CG2 3.97Å; I101-W119 HydrophobicContact CB-CG 4.38Å; I101-W119 HydrophobicContact CG1-CB 4.13Å; I101-W119 HydrophobicContact CG1-CG 4.24Å; I101-W119 HydrophobicContact CG2-CD2 4.34Å; I101-W119 HydrophobicContact CG2-CG 4.05Å; I101-P169 HydrophobicContact CD1-CB 3.91Å; I101-P169 HydrophobicContact CD1-CG 3.88Å |
| 102 | R | 92.7 | Very high | 92.4 | Very high | 117 Ų | 117 | 66.9 Ų | 66.9 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 119.2 | 163.3 | -172.4 | 175.2 | 67.2 | -175.8 | -3.9 | 109.2 | R109 Y110 R167 L170 | R102-R109 CarbonylContact C-O 3.15Å; R102-R109 WeakPolarHBondContact CA-O 3.47Å; R102-R109 HydrophobicContact CG-CG 4.5Å; R102-Y110 HydrophobicContact CB-CD1 4.19Å; R102-Y110 HydrophobicContact CB-CE1 4.11Å; R102-Y110 HydrophobicContact CG-CD1 4.41Å; R102-Y110 HydrophobicContact CG-CE1 4.07Å; R102-R167 VanDerWaalsContact O-CZ 3.32Å; R102-R167 PolarHBondContact O-NH1 2.81Å; R102-R167 PolarHBondContact O-NH2 2.78Å; R102-L170 HydrophobicContact CB-CD1 4.49Å |
| 103 | T | 90.7 | Very high | 92.4 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | trans | -83.2 | 156.5 | 178.7 | 82 | 0 | 0 | 0 | 0 | 110.4 | I101 Y106 N108 R109 V111 W119 | I101-T103 PolarHBondContact O-N 3.37Å; T103-Y106 HydrophobicContact CG2-CD1 4.46Å; T103-Y106 PolarHBondContact OG1-O 2.82Å; T103-N108 WeakPolarHBondContact CB-O 3.35Å; T103-N108 VanDerWaalsContact CG2-O 3.26Å; T103-N108 WeakPolarHBondContact CG2-O 3.23Å; T103-N108 PolarHBondContact OG1-O 3.41Å; T103-R109 PolarHBondContact N-O 3.15Å; T103-V111 HydrophobicContact CG2-CB 3.99Å; T103-V111 HydrophobicContact CG2-CG2 3.61Å; T103-W119 HydrophobicContact CG2-CH2 3.68Å; T103-W119 HydrophobicContact CG2-CZ2 3.77Å; T103-W119 HydrophobicContact CG2-CZ3 4.46Å | ||
| 104 | L | 87 | Confident | 92.4 | Very high | 86 Ų | 86 | 69.5 Ų | 69.5 | 45% | 0.45 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -93.5 | -39.2 | 177.5 | -59.2 | 176.7 | 0 | 0 | 0 | 111.6 | N132 | L104-N132 WeakPolarHBondContact CB-OD1 3.3Å; L104-N132 PolarHBondContact N-OD1 3.07Å |
| 105 | S | 85.3 | Confident | 92.4 | Very high | 103 Ų | 103 | 75.7 Ų | 75.7 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -151.1 | 17.6 | -177.7 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | N132 | S105-N132 PolarHBondContact N-OD1 3.32Š|
| 106 | Y | 86.4 | Confident | 92.3 | Very high | 55 Ų | 55 | 76.9 Ų | 76.9 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -85.8 | 157.9 | 177.6 | -167.6 | -110.5 | 0 | 0 | 0 | 111.1 | T103 N108 V111 W119 | T103-Y106 HydrophobicContact CG2-CD1 4.46Å; T103-Y106 PolarHBondContact OG1-O 2.82Å; Y106-N108 CarbonylContact O-C 3.46Å; Y106-N108 PolarHBondContact O-N 2.92Å; Y106-V111 HydrophobicContact CD1-CG2 3.64Å; Y106-V111 HydrophobicContact CE1-CG2 3.97Å; Y106-W119 AromaticContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CZ3 4.35Å; Y106-W119 HydrophobicContact CD2-CH2 4.35Å; Y106-W119 AromaticContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CZ3 4.5Å |
| 107 | K | 86.8 | Confident | 92.3 | Very high | 179 Ų | 179 | 77.7 Ų | 77.7 | 78% | 0.778 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -31.7 | -49.4 | -175.5 | -63.8 | -179.2 | 177.3 | -178.6 | 0 | 114.7 | ||
| 108 | N | 89.2 | Confident | 92.4 | Very high | 104 Ų | 104 | 72.8 Ų | 72.8 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -112.5 | 145.1 | 178.3 | -62.8 | -16.8 | 0 | 0 | 0 | 110.1 | T103 Y106 Y110 V111 | T103-N108 WeakPolarHBondContact CB-O 3.35Å; T103-N108 VanDerWaalsContact CG2-O 3.26Å; T103-N108 WeakPolarHBondContact CG2-O 3.23Å; T103-N108 PolarHBondContact OG1-O 3.41Å; Y106-N108 CarbonylContact O-C 3.46Å; Y106-N108 PolarHBondContact O-N 2.92Å; N108-Y110 WeakPolarHBondContact CB-O 3.36Å; N108-Y110 PolarHBondContact O-N 2.87Å; N108-V111 HydrophobicContact CB-CG2 4.5Å |
| 109 | R | 89 | Confident | 92.5 | Very high | 183 Ų | 183 | 71.6 Ų | 71.6 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -58.7 | -31.2 | 175 | -176.2 | 179.8 | -70.2 | 176.4 | 0.3 | 112.7 | R102 T103 | R102-R109 CarbonylContact C-O 3.15Å; R102-R109 WeakPolarHBondContact CA-O 3.47Å; R102-R109 HydrophobicContact CG-CG 4.5Å; T103-R109 PolarHBondContact N-O 3.15Å |
| 110 | Y | 91.8 | Very high | 92.5 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 46% | 0.459 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.9 | 177.7 | -55.9 | -80.4 | 0 | 0 | 0 | 109.9 | I101 R102 N108 L170 | I101-Y110 WeakPolarHBondContact O-CA 3.34Å; R102-Y110 HydrophobicContact CB-CD1 4.19Å; R102-Y110 HydrophobicContact CB-CE1 4.11Å; R102-Y110 HydrophobicContact CG-CD1 4.41Å; R102-Y110 HydrophobicContact CG-CE1 4.07Å; N108-Y110 WeakPolarHBondContact CB-O 3.36Å; N108-Y110 PolarHBondContact O-N 2.87Å; Y110-L170 HydrophobicContact CD1-CD1 3.37Å; Y110-L170 HydrophobicContact CE1-CD1 3.38Å |
| 111 | V | 93.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.5 | 175.8 | 168.9 | 0 | 0 | 0 | 0 | 108.6 | I101 T103 Y106 N108 W119 P136 | I101-V111 PolarHBondContact N-O 3.21Å; I101-V111 PolarHBondContact O-N 2.9Å; T103-V111 HydrophobicContact CG2-CB 3.99Å; T103-V111 HydrophobicContact CG2-CG2 3.61Å; Y106-V111 HydrophobicContact CD1-CG2 3.64Å; Y106-V111 HydrophobicContact CE1-CG2 3.97Å; N108-V111 HydrophobicContact CB-CG2 4.5Å; V111-W119 HydrophobicContact CB-CZ3 4.22Å; V111-W119 HydrophobicContact CG1-CE3 4.3Å; V111-W119 HydrophobicContact CG1-CZ3 4Å; V111-W119 HydrophobicContact CG2-CZ3 4.35Å; V111-P136 HydrophobicContact CG1-CG 4.22Å |
| 112 | R | 95.1 | Very high | 92.6 | Very high | 160 Ų | 160 | 68.2 Ų | 68.2 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.1 | 162.5 | -168.3 | -179.8 | -177 | 175.8 | -1.7 | 108.8 | D99 F100 P114 | D99-R112 CarbonylContact O-C 3.47Å; D99-R112 WeakPolarHBondContact O-CA 3.49Å; F100-R112 HydrophobicContact CD1-CB 3.99Å; F100-R112 HydrophobicContact CD1-CG 4.38Å; F100-R112 HydrophobicContact CD2-CG 4.4Å; F100-R112 HydrophobicContact CE1-CB 3.69Å; F100-R112 HydrophobicContact CE1-CG 4.02Å; F100-R112 HydrophobicContact CE2-CG 4.03Å; F100-R112 HydrophobicContact CZ-CB 4.04Å; F100-R112 HydrophobicContact CZ-CG 3.84Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å |
| 113 | V | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 121.9 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | L96 G98 D99 I101 H117 W119 | L96-V113 WeakPolarHBondContact O-CB 3.34Å; L96-V113 WeakPolarHBondContact O-CG1 3.26Å; G98-V113 PolarHBondContact N-O 2.83Å; D99-V113 HydrophobicContact CB-CG2 4.23Å; D99-V113 PolarHBondContact O-N 3.42Å; I101-V113 HydrophobicContact CG1-CG2 3.97Å; V113-H117 HydrophobicContact CG1-CB 4.1Å; V113-H117 VanDerWaalsContact CG1-O 3.28Å; V113-H117 WeakPolarHBondContact CG1-O 3.17Å; V113-W119 HydrophobicContact CG2-CB 3.9Å |
| 114 | P | 96.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 159.3 | 178.8 | -21 | 32.8 | 0 | 0 | 0 | 112.7 | R112 G116 H117 P136 | R112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-G116 PolarHBondContact O-N 2.89Å; P114-H117 HydrophobicContact CB-CB 4.38Å; P114-H117 WeakPolarHBondContact O-CB 3.45Å; P114-H117 PolarHBondContact O-N 2.87Å; P114-H117 VanDerWaalsContact O-N 3.12Å; P114-P136 HydrophobicContact CG-CB 4.5Å; P114-P136 HydrophobicContact CG-CG 4.33Å |
| 115 | N | 95.2 | Very high | 92 | Very high | 131 Ų | 131 | 70.5 Ų | 70.5 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 139.4 | 173.5 | -64.5 | -19.3 | 0 | 0 | 0 | 111.1 | H117 | N115-H117 PolarHBondContact O-N 2.85Å; N115-H117 PolarHBondContact O-ND1 2.8Å |
| 116 | G | 94.3 | Very high | 91.1 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 17.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E97 P114 L139 | E97-G116 PolarHBondContact OE2-N 2.99Å; P114-G116 PolarHBondContact O-N 2.89Å; G116-L139 WeakPolarHBondContact O-CG 3.47Å; G116-L139 PolarHBondContact O-N 2.85Å |
| 117 | H | 96.1 | Very high | 90 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 27% | 0.269 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 162.8 | 176.4 | -66.5 | 67.5 | 0 | 0 | 0 | 112.1 | E97 V113 P114 N115 P136 V137 S138 | E97-H117 PolarHBondContact N-O 2.82Å; V113-H117 HydrophobicContact CG1-CB 4.1Å; V113-H117 VanDerWaalsContact CG1-O 3.28Å; V113-H117 WeakPolarHBondContact CG1-O 3.17Å; P114-H117 HydrophobicContact CB-CB 4.38Å; P114-H117 WeakPolarHBondContact O-CB 3.45Å; P114-H117 PolarHBondContact O-N 2.87Å; P114-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 PolarHBondContact O-N 2.85Å; N115-H117 PolarHBondContact O-ND1 2.8Å; H117-P136 HydrophobicContact CB-CB 3.91Å; H117-V137 CarbonylContact C-O 3.59Å; H117-V137 VanDerWaalsContact CA-O 3.23Å; H117-V137 WeakPolarHBondContact CA-O 3.35Å; H117-S138 PolarHBondContact CD2-N 3.16Å |
| 118 | L | 96.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.2 | 176.5 | -60.6 | 175.9 | 0 | 0 | 0 | 109.7 | V71 V93 L96 I120 P136 V137 L139 L142 | V71-L118 HydrophobicContact CG1-CD1 4.34Å; V71-L118 HydrophobicContact CG1-CD2 4.48Å; V93-L118 HydrophobicContact CG1-CD2 4.22Å; V93-L118 HydrophobicContact CG2-CD1 4.4Å; L96-L118 HydrophobicContact CD2-CD2 3.41Å; L96-L118 VanDerWaalsContact CD2-CD2 3.41Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; L118-P136 WeakPolarHBondContact O-CA 3.37Å; L118-V137 PolarHBondContact N-O 2.87Å; L118-V137 PolarHBondContact O-N 2.86Å; L118-L139 HydrophobicContact CD1-CD2 3.62Å; L118-L139 HydrophobicContact CD2-CD2 3.81Å; L118-L139 HydrophobicContact CG-CD2 3.59Å; L118-L139 HydrophobicContact CG-CG 4.36Å; L118-L142 HydrophobicContact CD1-CD1 4.11Å |
| 119 | W | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.6 | 161.7 | -166.1 | -88.8 | 0 | 0 | 0 | 109.3 | I94 G95 I101 T103 Y106 V111 V113 E121 S131 P136 | I94-W119 PolarHBondContact N-O 3.49Å; G95-W119 PolarHBondContact N-O 2.79Å; G95-W119 VanDerWaalsContact N-O 3.16Å; G95-W119 PolarHBondContact O-N 2.78Å; I101-W119 HydrophobicContact CB-CG 4.38Å; I101-W119 HydrophobicContact CG1-CB 4.13Å; I101-W119 HydrophobicContact CG1-CG 4.24Å; I101-W119 HydrophobicContact CG2-CD2 4.34Å; I101-W119 HydrophobicContact CG2-CG 4.05Å; T103-W119 HydrophobicContact CG2-CH2 3.68Å; T103-W119 HydrophobicContact CG2-CZ2 3.77Å; T103-W119 HydrophobicContact CG2-CZ3 4.46Å; Y106-W119 AromaticContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CH2 3.96Å; Y106-W119 HydrophobicContact CD1-CZ3 4.35Å; Y106-W119 HydrophobicContact CD2-CH2 4.35Å; Y106-W119 AromaticContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CH2 3.76Å; Y106-W119 HydrophobicContact CG-CZ3 4.5Å; V111-W119 HydrophobicContact CB-CZ3 4.22Å; V111-W119 HydrophobicContact CG1-CE3 4.3Å; V111-W119 HydrophobicContact CG1-CZ3 4Å; V111-W119 HydrophobicContact CG2-CZ3 4.35Å; V113-W119 HydrophobicContact CG2-CB 3.9Å; W119-E121 PolarHBondContact NE1-OE1 2.84Å; W119-S131 WeakPolarHBondContact CH2-O 3.44Å; W119-P136 HydrophobicContact CE3-CG 4.11Å; W119-P136 HydrophobicContact CZ3-CG 4.13Å |
| 120 | I | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.9 | -178.7 | 67.8 | 177.8 | 0 | 0 | 0 | 112.4 | V77 V79 K91 R92 V93 L118 S131 F134 V137 | V77-I120 HydrophobicContact CG2-CG2 4.2Å; V79-I120 HydrophobicContact CG1-CD1 4.2Å; V79-I120 HydrophobicContact CG2-CD1 3.57Å; K91-I120 HydrophobicContact CB-CB 3.78Å; K91-I120 HydrophobicContact CB-CD1 3.9Å; K91-I120 HydrophobicContact CB-CG1 4.01Å; K91-I120 HydrophobicContact CG-CD1 3.92Å; K91-I120 HydrophobicContact CG-CG1 4.21Å; R92-I120 CarbonylContact O-C 3.57Å; R92-I120 WeakPolarHBondContact O-CA 3.27Å; V93-I120 HydrophobicContact CG2-CG2 4.25Å; L118-I120 HydrophobicContact CB-CG2 4.02Å; I120-S131 WeakPolarHBondContact CG1-OG 3.32Å; I120-S131 PolarHBondContact N-OG 3.5Å; I120-S131 WeakPolarHBondContact O-CB 3.15Å; I120-S131 PolarHBondContact O-N 2.98Å; I120-S131 PolarHBondContact O-OG 2.77Å; I120-F134 HydrophobicContact CD1-CZ 4.41Å; I120-V137 HydrophobicContact CD1-CB 4.32Å; I120-V137 HydrophobicContact CD1-CG2 3.69Å; I120-V137 HydrophobicContact CG1-CG2 3.88Å |
| 121 | E | 95.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.1 | -179.4 | -61.6 | -168.5 | 160.3 | 0 | 0 | 112.3 | R92 I94 W119 N132 R167 | R92-E121 PolarHBondContact N-O 3.33Å; R92-E121 PolarHBondContact O-N 3.25Å; I94-E121 HydrophobicContact CD1-CB 4.29Å; I94-E121 HydrophobicContact CG1-CB 3.71Å; I94-E121 HydrophobicContact CG1-CG 3.67Å; W119-E121 PolarHBondContact NE1-OE1 2.84Å; E121-N132 PolarHBondContact OE1-ND2 3.17Å; E121-R167 IonicContact OE1-CZ 3.64Å; E121-R167 IonicContact OE1-NE 3.55Å; E121-R167 IonicContact OE1-NH2 2.73Å; E121-R167 PolarHBondContact OE1-NH2 2.88Å; E121-R167 IonicContact OE2-CZ 2.74Å; E121-R167 VanDerWaalsContact OE2-CZ 3.27Å; E121-R167 IonicContact OE2-NE 3.49Å; E121-R167 PolarHBondContact OE2-NE 2.63Å; E121-R167 IonicContact OE2-NH2 3.54Å; E121-R167 PolarHBondContact OE2-NH2 3.46Å |
| 122 | G | 94.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | trans | -81.1 | 150.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S43 H124 S128 D130 | S43-G122 CarbonylContact O-C 3.55Å; S43-G122 WeakPolarHBondContact O-CA 3.2Å; G122-H124 VanDerWaalsContact C-N 3.26Å; G122-H124 PolarHBondContact O-N 2.84Å; G122-S128 PolarHBondContact N-OG 2.81Å; G122-D130 PolarHBondContact N-OD2 2.8Å | ||
| 123 | D | 91.8 | Very high | 89.6 | Confident | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.2 | -27.1 | 173.7 | -66.6 | -15.5 | 0 | 0 | 0 | 111.8 | S43 Q45 F47 R92 | S43-D123 PolarHBondContact O-N 2.73Å; Q45-D123 CarbonylContact O-C 3.36Å; Q45-D123 WeakPolarHBondContact O-CB 3.49Å; F47-D123 VanDerWaalsContact CB-OD2 3.24Å; F47-D123 WeakPolarHBondContact CB-OD2 3.24Å; R92-D123 IonicContact CZ-OD1 2.62Å; R92-D123 IonicContact CZ-OD2 2.58Å; R92-D123 IonicContact NE-OD1 3.27Å; R92-D123 PolarHBondContact NE-OD1 3.49Å; R92-D123 IonicContact NE-OD2 3.96Å; R92-D123 PolarHBondContact NE-OD2 2.71Å; R92-D123 IonicContact NH2-OD1 3.66Å; R92-D123 IonicContact NH2-OD2 3.62Å; R92-D123 PolarHBondContact NH2-OD2 2.84Å |
| 124 | H | 89.5 | Confident | 89.5 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 28% | 0.282 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -93.9 | 111 | 178 | -163.2 | 102.8 | 0 | 0 | 0 | 110.6 | A42 S43 Q45 G122 H127 | A42-H124 WeakPolarHBondContact O-CB 3.25Å; S43-H124 PolarHBondContact O-N 2.82Å; Q45-H124 HydrophobicContact CB-CB 4.21Å; Q45-H124 WeakPolarHBondContact O-CA 3.49Å; Q45-H124 WeakPolarHBondContact O-CB 3.49Å; Q45-H124 PolarHBondContact O-N 3.03Å; G122-H124 VanDerWaalsContact C-N 3.26Å; G122-H124 PolarHBondContact O-N 2.84Å; H124-H127 AromaticContact NE2-CD2 3.87Å |
| 125 | R | 77.6 | Confident | 89.4 | Confident | 170 Ų | 170 | 44 Ų | 44 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 134.7 | 179.7 | -61.4 | -174.2 | -177.6 | 166.1 | 2.3 | 110.6 | ||
| 126 | G | 66.6 | Low | 89.4 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 81% | 0.814 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -15.5 | 173 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 127 | H | 64.1 | Low | 89.5 | Confident | 146 Ų | 146 | 38.1 Ų | 38.1 | 68% | 0.676 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -127.4 | 30.3 | -179.2 | -71.4 | -71 | 0 | 0 | 0 | 113.8 | H124 | H124-H127 AromaticContact NE2-CD2 3.87Š|
| 128 | S | 75.1 | Confident | 89.5 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | trans | -123.2 | 124 | -172.3 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | K91 G122 D130 | K91-S128 PolarHBondContact NZ-OG 2.87Å; G122-S128 PolarHBondContact N-OG 2.81Å; S128-D130 WeakPolarHBondContact CB-OD2 3.45Å; S128-D130 PolarHBondContact O-N 2.58Å; S128-D130 WeakPolarHBondContact OG-CB 3.49Å; S128-D130 PolarHBondContact OG-OD2 3.18Å | ||
| 129 | L | 88 | Confident | 89.4 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | trans | -78.1 | 99.8 | 162.3 | -171.7 | 87.4 | 0 | 0 | 0 | 108.5 | K91 C133 F134 | K91-L129 WeakPolarHBondContact CE-O 3.25Å; L129-C133 HydrophobicContact CD1-CB 4.34Å; L129-F134 HydrophobicContact CD2-CE1 4.34Å; L129-F134 HydrophobicContact CG-CD1 4.2Å; L129-F134 HydrophobicContact CG-CE1 4.06Å | ||
| 130 | D | 93.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -141.1 | -166.2 | -176.2 | 62.8 | 45.7 | 0 | 0 | 0 | 113.7 | K91 G122 S128 N132 C133 F134 | K91-D130 HydrophobicContact CD-CB 4.13Å; G122-D130 PolarHBondContact N-OD2 2.8Å; S128-D130 WeakPolarHBondContact CB-OD2 3.45Å; S128-D130 PolarHBondContact O-N 2.58Å; S128-D130 WeakPolarHBondContact OG-CB 3.49Å; S128-D130 PolarHBondContact OG-OD2 3.18Å; D130-N132 PolarHBondContact O-N 3.43Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.34Å; D130-N132 PolarHBondContact OD1-ND2 2.93Å; D130-N132 VanDerWaalsContact OD1-ND2 3.1Å; D130-C133 WeakPolarHBondContact O-CA 3.48Å; D130-C133 WeakPolarHBondContact O-CB 3.45Å; D130-C133 PolarHBondContact O-N 2.62Å; D130-F134 VanDerWaalsContact C-CE1 3.46Å; D130-F134 VanDerWaalsContact CA-CZ 3.49Å; D130-F134 VanDerWaalsContact O-CD1 3.29Å; D130-F134 WeakPolarHBondContact O-CD1 3.25Å; D130-F134 VanDerWaalsContact O-CE1 3.23Å; D130-F134 WeakPolarHBondContact O-CE1 3.2Å; D130-F134 WeakPolarHBondContact O-CZ 3.29Å; D130-F134 PolarHBondContact O-N 3.41Å |
| 131 | S | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -22.9 | -175.2 | -51.8 | 0 | 0 | 0 | 0 | 113 | W119 I120 C133 G135 | W119-S131 WeakPolarHBondContact CH2-O 3.44Å; I120-S131 WeakPolarHBondContact CG1-OG 3.32Å; I120-S131 PolarHBondContact N-OG 3.5Å; I120-S131 WeakPolarHBondContact O-CB 3.15Å; I120-S131 PolarHBondContact O-N 2.98Å; I120-S131 PolarHBondContact O-OG 2.77Å; S131-C133 PolarHBondContact O-N 3.25Å; S131-G135 VanDerWaalsContact CA-O 3.3Å; S131-G135 WeakPolarHBondContact CA-O 3.43Å; S131-G135 VanDerWaalsContact CB-O 3.25Å; S131-G135 WeakPolarHBondContact CB-O 3.49Å; S131-G135 WeakPolarHBondContact O-CA 3.46Å; S131-G135 PolarHBondContact O-N 3.29Å; S131-G135 PolarHBondContact OG-O 3.19Å |
| 132 | N | 93 | Very high | 89.1 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -23 | 171.9 | -65.4 | -78.7 | 0 | 0 | 0 | 112.3 | L104 S105 E121 D130 | L104-N132 WeakPolarHBondContact CB-OD1 3.3Å; L104-N132 PolarHBondContact N-OD1 3.07Å; S105-N132 PolarHBondContact N-OD1 3.32Å; E121-N132 PolarHBondContact OE1-ND2 3.17Å; D130-N132 PolarHBondContact O-N 3.43Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.34Å; D130-N132 PolarHBondContact OD1-ND2 2.93Å; D130-N132 VanDerWaalsContact OD1-ND2 3.1Å |
| 133 | C | 91.7 | Very high | 89.1 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -92.5 | -34.4 | 178.7 | -57 | 0 | 0 | 0 | 0 | 113.9 | R83 L129 D130 S131 | R83-C133 PolarHBondContact NH2-O 3.03Å; L129-C133 HydrophobicContact CD1-CB 4.34Å; D130-C133 WeakPolarHBondContact O-CA 3.48Å; D130-C133 WeakPolarHBondContact O-CB 3.45Å; D130-C133 PolarHBondContact O-N 2.62Å; S131-C133 PolarHBondContact O-N 3.25Å |
| 134 | F | 93.1 | Very high | 89.1 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -125.8 | -9.6 | -173 | 51.7 | -116.2 | 0 | 0 | 0 | 114.7 | P82 R83 I89 I120 L129 D130 V137 | P82-F134 HydrophobicContact CG-CD2 4.08Å; P82-F134 HydrophobicContact CG-CE2 4.23Å; P82-F134 HydrophobicContact CG-CG 4.33Å; R83-F134 HydrophobicContact CG-CB 4.49Å; I89-F134 HydrophobicContact CD1-CE1 4.1Å; I89-F134 HydrophobicContact CD1-CZ 4.1Å; I120-F134 HydrophobicContact CD1-CZ 4.41Å; L129-F134 HydrophobicContact CD2-CE1 4.34Å; L129-F134 HydrophobicContact CG-CD1 4.2Å; L129-F134 HydrophobicContact CG-CE1 4.06Å; D130-F134 VanDerWaalsContact C-CE1 3.46Å; D130-F134 VanDerWaalsContact CA-CZ 3.49Å; D130-F134 VanDerWaalsContact O-CD1 3.29Å; D130-F134 WeakPolarHBondContact O-CD1 3.25Å; D130-F134 VanDerWaalsContact O-CE1 3.23Å; D130-F134 WeakPolarHBondContact O-CE1 3.2Å; D130-F134 WeakPolarHBondContact O-CZ 3.29Å; D130-F134 PolarHBondContact O-N 3.41Å; F134-V137 HydrophobicContact CD2-CG2 4.03Å; F134-V137 HydrophobicContact CE2-CG2 3.23Å; F134-V137 HydrophobicContact CZ-CG2 3.98Å |
| 135 | G | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | 93.4 | -166.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S131 | S131-G135 VanDerWaalsContact CA-O 3.3Å; S131-G135 WeakPolarHBondContact CA-O 3.43Å; S131-G135 VanDerWaalsContact CB-O 3.25Å; S131-G135 WeakPolarHBondContact CB-O 3.49Å; S131-G135 WeakPolarHBondContact O-CA 3.46Å; S131-G135 PolarHBondContact O-N 3.29Å; S131-G135 PolarHBondContact OG-O 3.19Å | ||
| 136 | P | 96.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 21% | 0.208 | 23% | 0.231 | C | C | . | . | trans | -59.3 | 145.5 | 178.3 | -20.8 | 32.4 | 0 | 0 | 0 | 112.3 | V111 P114 H117 L118 W119 | V111-P136 HydrophobicContact CG1-CG 4.22Å; P114-P136 HydrophobicContact CG-CB 4.5Å; P114-P136 HydrophobicContact CG-CG 4.33Å; H117-P136 HydrophobicContact CB-CB 3.91Å; L118-P136 WeakPolarHBondContact O-CA 3.37Å; W119-P136 HydrophobicContact CE3-CG 4.11Å; W119-P136 HydrophobicContact CZ3-CG 4.13Å | ||
| 137 | V | 96.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.7 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | V79 P82 H117 L118 I120 F134 L141 | V79-V137 HydrophobicContact CB-CG1 4.45Å; V79-V137 HydrophobicContact CG1-CG1 4.33Å; P82-V137 HydrophobicContact CG-CG1 4.46Å; P82-V137 HydrophobicContact CG-CG2 4.34Å; H117-V137 CarbonylContact C-O 3.59Å; H117-V137 VanDerWaalsContact CA-O 3.23Å; H117-V137 WeakPolarHBondContact CA-O 3.35Å; L118-V137 PolarHBondContact N-O 2.87Å; L118-V137 PolarHBondContact O-N 2.86Å; I120-V137 HydrophobicContact CD1-CB 4.32Å; I120-V137 HydrophobicContact CD1-CG2 3.69Å; I120-V137 HydrophobicContact CG1-CG2 3.88Å; F134-V137 HydrophobicContact CD2-CG2 4.03Å; F134-V137 HydrophobicContact CE2-CG2 3.23Å; F134-V137 HydrophobicContact CZ-CG2 3.98Å; V137-L141 HydrophobicContact CG1-CB 4.06Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å |
| 138 | S | 95.8 | Very high | 93.1 | Very high | 48 Ų | 48 | 29.5 Ų | 29.5 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.8 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | H117 G140 L141 | H117-S138 PolarHBondContact CD2-N 3.16Å; S138-G140 PolarHBondContact O-N 3.38Å; S138-G140 VanDerWaalsContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.11Å; S138-L141 WeakPolarHBondContact O-CB 3.21Å; S138-L141 PolarHBondContact O-N 2.8Å |
| 139 | L | 93.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -54.5 | -26.5 | 171.1 | -74.4 | 174.5 | 0 | 0 | 0 | 112.7 | G116 L118 L141 L142 | G116-L139 WeakPolarHBondContact O-CG 3.47Å; G116-L139 PolarHBondContact O-N 2.85Å; L118-L139 HydrophobicContact CD1-CD2 3.62Å; L118-L139 HydrophobicContact CD2-CD2 3.81Å; L118-L139 HydrophobicContact CG-CD2 3.59Å; L118-L139 HydrophobicContact CG-CG 4.36Å; L139-L141 PolarHBondContact O-N 2.95Å; L139-L142 WeakPolarHBondContact O-CB 3.32Å; L139-L142 PolarHBondContact O-N 3.1Å |
| 140 | G | 93.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 28.6 Ų | 28.6 | 73% | 0.732 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -65.2 | -19.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S138 L142 | S138-G140 PolarHBondContact O-N 3.38Å; S138-G140 VanDerWaalsContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.11Å; G140-L142 VanDerWaalsContact C-N 3.31Å |
| 141 | L | 95 | Very high | 94.5 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -86.2 | -4.6 | 175.5 | -64.2 | 174.7 | 0 | 0 | 0 | 112.7 | V79 V80 P82 V137 S138 L139 H143 | V79-L141 CarbonylContact C-O 3.56Å; V79-L141 VanDerWaalsContact CA-O 3.28Å; V79-L141 WeakPolarHBondContact CA-O 3.35Å; V80-L141 HydrophobicContact CB-CD2 4.22Å; V80-L141 PolarHBondContact N-O 2.75Å; P82-L141 HydrophobicContact CB-CD1 4.31Å; P82-L141 HydrophobicContact CG-CD1 3.86Å; V137-L141 HydrophobicContact CG1-CB 4.06Å; V137-L141 HydrophobicContact CG1-CD1 3.97Å; S138-L141 WeakPolarHBondContact O-CB 3.21Å; S138-L141 PolarHBondContact O-N 2.8Å; L139-L141 PolarHBondContact O-N 2.95Å; L141-H143 PolarHBondContact O-N 2.78Å |
| 142 | L | 94.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120 | -177.8 | -157.4 | 70.7 | 0 | 0 | 0 | 110.6 | V66 V71 V77 V79 L118 L139 G140 | V66-L142 HydrophobicContact CB-CD2 3.92Å; V66-L142 HydrophobicContact CB-CG 4.34Å; V66-L142 HydrophobicContact CG1-CB 3.72Å; V66-L142 HydrophobicContact CG1-CD2 3.59Å; V66-L142 HydrophobicContact CG1-CG 3.79Å; V66-L142 HydrophobicContact CG2-CD2 3.42Å; V66-L142 VanDerWaalsContact CG2-CD2 3.42Å; V66-L142 HydrophobicContact CG2-CG 3.73Å; V71-L142 HydrophobicContact CG2-CD2 3.41Å; V71-L142 VanDerWaalsContact CG2-CD2 3.41Å; V77-L142 HydrophobicContact CB-CD1 3.53Å; V77-L142 HydrophobicContact CG1-CD1 3.93Å; V77-L142 HydrophobicContact CG2-CD1 3.75Å; V79-L142 HydrophobicContact CG1-CD1 3.5Å; V79-L142 VanDerWaalsContact CG1-CD1 3.5Å; L118-L142 HydrophobicContact CD1-CD1 4.11Å; L139-L142 WeakPolarHBondContact O-CB 3.32Å; L139-L142 PolarHBondContact O-N 3.1Å; G140-L142 VanDerWaalsContact C-N 3.31Å |
| 143 | H | 92.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -36.3 | -179 | -169.6 | 58.7 | 0 | 0 | 0 | 112.7 | R63 S78 K88 L141 | R63-H143 WeakPolarHBondContact CG-O 3.33Å; R63-H143 PolarHBondContact NH2-CE1 3.3Å; R63-H143 PolarHBondContact NH2-NE2 2.74Å; S78-H143 WeakPolarHBondContact O-CA 3.5Å; S78-H143 WeakPolarHBondContact O-CB 3.27Å; S78-H143 PolarHBondContact O-N 2.92Å; K88-H143 PolarHBondContact NZ-CE1 2.94Å; K88-H143 PolarHBondContact NZ-NE2 3.16Å; L141-H143 PolarHBondContact O-N 2.78Å |
| 144 | G | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | 154.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V77 S78 | V77-G144 WeakPolarHBondContact CA-O 3.45Å; S78-G144 PolarHBondContact N-O 2.78Å; S78-G144 PolarHBondContact O-N 3.36Å |
| 145 | R | 95.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.9 | 173.7 | -170.3 | -164 | 80.5 | -162.4 | -0.3 | 110.5 | L61 N62 S65 D75 I76 V77 S147 | L61-R145 CarbonylContact C-O 3.51Å; L61-R145 WeakPolarHBondContact CA-O 3.23Å; N62-R145 PolarHBondContact N-O 3.02Å; N62-R145 PolarHBondContact O-N 2.69Å; S65-R145 PolarHBondContact OG-NH1 3.32Å; D75-R145 HydrophobicContact CB-CG 4.19Å; D75-R145 VanDerWaalsContact OD2-CD 3.32Å; D75-R145 WeakPolarHBondContact OD2-CD 3.47Å; I76-R145 CarbonylContact O-C 3.53Å; V77-R145 HydrophobicContact CG1-CG 4.32Å; R145-S147 PolarHBondContact O-N 2.83Å |
| 146 | A | 95.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V59 L61 I76 I90 I159 | V59-A146 HydrophobicContact CB-CB 4.44Å; V59-A146 HydrophobicContact CG2-CB 4.47Å; L61-A146 HydrophobicContact CD2-CB 3.77Å; I76-A146 HydrophobicContact CB-CB 4.05Å; I76-A146 HydrophobicContact CG2-CB 3.91Å; I76-A146 PolarHBondContact O-N 2.96Å; I90-A146 HydrophobicContact CD1-CB 4.36Å; A146-I159 HydrophobicContact CB-CD1 3.71Å |
| 147 | S | 94.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -38 | -174.5 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | L60 R145 I159 | L60-S147 PolarHBondContact O-N 2.64Å; L60-S147 PolarHBondContact O-OG 2.68Å; R145-S147 PolarHBondContact O-N 2.83Å; S147-I159 PolarHBondContact O-N 2.81Å |
| 148 | H | 95.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 146.6 | -177.3 | -61 | 79.8 | 0 | 0 | 0 | 109.5 | V59 L60 I150 Q157 | V59-H148 CarbonylContact C-O 3.55Å; V59-H148 VanDerWaalsContact CA-O 3.26Å; V59-H148 WeakPolarHBondContact CA-O 3.38Å; L60-H148 HydrophobicContact CB-CB 4.31Å; L60-H148 PolarHBondContact N-O 3.5Å; H148-I150 HydrophobicContact CB-CG2 4.05Å; H148-Q157 CarbonylContact C-O 3.56Å; H148-Q157 VanDerWaalsContact CA-O 3.28Å; H148-Q157 WeakPolarHBondContact CA-O 3.18Å |
| 149 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.6 | 157.1 | -54.8 | -179.4 | 0 | 0 | 0 | 105.5 | L48 D57 V59 W151 R155 W156 Q157 I159 | L48-I149 HydrophobicContact CD2-CD1 3.86Å; L48-I149 HydrophobicContact CD2-CG1 4.19Å; D57-I149 HydrophobicContact CB-CG2 4.41Å; V59-I149 HydrophobicContact CG1-CG1 4.34Å; I149-W151 WeakPolarHBondContact CG2-O 3.21Å; I149-R155 WeakPolarHBondContact CB-O 3.15Å; I149-R155 HydrophobicContact CG2-CB 4.25Å; I149-R155 WeakPolarHBondContact CG2-O 3.39Å; I149-W156 WeakPolarHBondContact O-CA 3.21Å; I149-Q157 HydrophobicContact CB-CG 4.3Å; I149-Q157 HydrophobicContact CD1-CG 4Å; I149-Q157 HydrophobicContact CG1-CG 4.24Å; I149-Q157 PolarHBondContact N-O 2.93Å; I149-Q157 PolarHBondContact O-N 3.32Å; I149-I159 HydrophobicContact CG1-CD1 4.05Å; I149-I159 HydrophobicContact CG1-CG1 4.06Å |
| 150 | I | 95.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.277 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -13.6 | -176.8 | 62.5 | 169.1 | 0 | 0 | 0 | 112.8 | V36 V58 L60 H148 | V36-I150 HydrophobicContact CG1-CD1 3.84Å; V36-I150 HydrophobicContact CG2-CD1 3.98Å; V58-I150 HydrophobicContact CB-CG1 4.11Å; V58-I150 HydrophobicContact CG1-CD1 3.98Å; V58-I150 HydrophobicContact CG1-CG1 3.89Å; V58-I150 WeakPolarHBondContact O-CG1 3.35Å; V58-I150 PolarHBondContact O-N 3.42Å; L60-I150 HydrophobicContact CB-CG2 3.97Å; H148-I150 HydrophobicContact CB-CG2 4.05Å |
| 151 | W | 94.8 | Very high | 94.5 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 45% | 0.451 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 145.8 | 174 | -169.2 | -88.8 | 0 | 0 | 0 | 109 | D57 V58 I149 P153 | D57-W151 WeakPolarHBondContact CA-O 3.39Å; V58-W151 HydrophobicContact CB-CB 3.74Å; V58-W151 HydrophobicContact CG2-CB 3.82Å; V58-W151 HydrophobicContact CG2-CG 4.35Å; V58-W151 PolarHBondContact N-O 2.8Å; V58-W151 PolarHBondContact O-N 2.9Å; I149-W151 WeakPolarHBondContact CG2-O 3.21Å; W151-P153 HydrophobicContact CD2-CG 4.4Å; W151-P153 HydrophobicContact CE3-CG 3.75Å; W151-P153 HydrophobicContact CH2-CG 3.82Å; W151-P153 HydrophobicContact CZ2-CG 4.43Å; W151-P153 HydrophobicContact CZ3-CG 3.44Å; W151-P153 VanDerWaalsContact CZ3-CG 3.44Å |
| 152 | P | 93.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | S | Bend | cis | -69.5 | 158.5 | -3.4 | 28.9 | -34.6 | 0 | 0 | 0 | 113.6 | D57 N154 R155 W156 | D57-P152 WeakPolarHBondContact OD1-CD 3.28Å; P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 VanDerWaalsContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CG-OD1 3.13Å; P152-N154 PolarHBondContact O-N 2.84Å; P152-R155 HydrophobicContact CG-CB 4.26Å; P152-R155 HydrophobicContact CG-CG 4.08Å; P152-R155 PolarHBondContact O-N 3.49Å; P152-W156 PolarHBondContact O-N 3.07Å |
| 153 | P | 92.5 | Very high | 94.3 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -59.7 | -32.2 | -172.1 | -26.5 | 36 | 0 | 0 | 0 | 114.4 | W151 R155 W156 | W151-P153 HydrophobicContact CD2-CG 4.4Å; W151-P153 HydrophobicContact CE3-CG 3.75Å; W151-P153 HydrophobicContact CH2-CG 3.82Å; W151-P153 HydrophobicContact CZ2-CG 4.43Å; W151-P153 HydrophobicContact CZ3-CG 3.44Å; W151-P153 VanDerWaalsContact CZ3-CG 3.44Å; P153-R155 PolarHBondContact O-N 3.01Å; P153-W156 PolarHBondContact O-N 3Å |
| 154 | N | 92.7 | Very high | 94.2 | Very high | 140 Ų | 140 | 65.8 Ų | 65.8 | 75% | 0.749 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -66.1 | -14.8 | 174.8 | 62.2 | -20.7 | 0 | 0 | 0 | 113.7 | P152 | P152-N154 VanDerWaalsContact C-N 3.26Å; P152-N154 VanDerWaalsContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CB-OD1 3.23Å; P152-N154 WeakPolarHBondContact CG-OD1 3.13Å; P152-N154 PolarHBondContact O-N 2.84Å |
| 155 | R | 92.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 18% | 0.181 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -113.2 | 13.3 | 178.8 | -62.2 | -163.5 | 68.7 | -143.4 | -4.1 | 112.9 | F47 D57 I149 P152 P153 Q157 | F47-R155 PolarHBondContact O-NH2 3.29Å; D57-R155 IonicContact OD1-CZ 3.99Å; D57-R155 IonicContact OD1-NH1 2.81Å; D57-R155 PolarHBondContact OD1-NH1 3.32Å; D57-R155 IonicContact OD2-CZ 2.96Å; D57-R155 IonicContact OD2-NH1 3.68Å; D57-R155 PolarHBondContact OD2-NH1 2.63Å; D57-R155 IonicContact OD2-NH2 2.64Å; I149-R155 WeakPolarHBondContact CB-O 3.15Å; I149-R155 HydrophobicContact CG2-CB 4.25Å; I149-R155 WeakPolarHBondContact CG2-O 3.39Å; P152-R155 HydrophobicContact CG-CB 4.26Å; P152-R155 HydrophobicContact CG-CG 4.08Å; P152-R155 PolarHBondContact O-N 3.49Å; P153-R155 PolarHBondContact O-N 3.01Å; R155-Q157 WeakPolarHBondContact O-CG 3.35Å; R155-Q157 PolarHBondContact O-N 3.04Å |
| 156 | W | 95.2 | Very high | 93.3 | Very high | 183 Ų | 183 | 75 Ų | 75 | 69% | 0.693 | 37% | 0.371 | S | S | * | . | trans | -62.9 | 111.7 | 179 | -167.4 | -8.2 | 0 | 0 | 0 | 110.1 | I149 P152 P153 | I149-W156 WeakPolarHBondContact O-CA 3.21Å; P152-W156 PolarHBondContact O-N 3.07Å; P153-W156 PolarHBondContact O-N 3Å | ||
| 157 | Q | 95.6 | Very high | 92.9 | Very high | 85 Ų | 85 | 75.2 Ų | 75.2 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155.6 | 179.4 | 65.6 | -178.3 | -3.7 | 0 | 0 | 112.2 | H148 I149 R155 | H148-Q157 CarbonylContact C-O 3.56Å; H148-Q157 VanDerWaalsContact CA-O 3.28Å; H148-Q157 WeakPolarHBondContact CA-O 3.18Å; I149-Q157 HydrophobicContact CB-CG 4.3Å; I149-Q157 HydrophobicContact CD1-CG 4Å; I149-Q157 HydrophobicContact CG1-CG 4.24Å; I149-Q157 PolarHBondContact N-O 2.93Å; I149-Q157 PolarHBondContact O-N 3.32Å; R155-Q157 WeakPolarHBondContact O-CG 3.35Å; R155-Q157 PolarHBondContact O-N 3.04Å |
| 158 | R | 96.1 | Very high | 92.6 | Very high | 173 Ų | 173 | 81.5 Ų | 81.5 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.4 | 167.3 | -177 | 173.3 | 174.3 | 179.3 | -1 | 109.5 | K160 | R158-K160 PolarHBondContact O-N 3.2Å |
| 159 | I | 95.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 79.6 Ų | 79.6 | 6% | 0.062 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 119.9 | 174.6 | -61 | 171.4 | 0 | 0 | 0 | 107.5 | F47 V59 I76 A146 S147 I149 | F47-I159 HydrophobicContact CE1-CD1 4.44Å; F47-I159 HydrophobicContact CE1-CG1 4.17Å; F47-I159 HydrophobicContact CE1-CG2 3.99Å; F47-I159 HydrophobicContact CZ-CG1 4.27Å; F47-I159 HydrophobicContact CZ-CG2 3.95Å; V59-I159 HydrophobicContact CG1-CD1 4.33Å; I76-I159 HydrophobicContact CD1-CG2 4.01Å; I76-I159 HydrophobicContact CG1-CG2 4.43Å; A146-I159 HydrophobicContact CB-CD1 3.71Å; S147-I159 PolarHBondContact O-N 2.81Å; I149-I159 HydrophobicContact CG1-CD1 4.05Å; I149-I159 HydrophobicContact CG1-CG1 4.06Å |
| 160 | K | 94.5 | Very high | 91.7 | Very high | 157 Ų | 157 | 82.6 Ų | 82.6 | 68% | 0.683 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 142.9 | 172.2 | -66 | -174.9 | -179.3 | 179.1 | 0 | 109.3 | R158 S162 | R158-K160 PolarHBondContact O-N 3.2Å; K160-S162 PolarHBondContact O-N 3.28Å |
| 161 | P | 93.2 | Very high | 90.9 | Very high | 66 Ų | 66 | 85.2 Ų | 85.2 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 130 | 172.1 | -11.9 | 24.4 | 0 | 0 | 0 | 109.1 | G74 D75 | G74-P161 WeakPolarHBondContact O-CA 3.45Å; D75-P161 WeakPolarHBondContact OD1-CG 3.23Å |
| 162 | S | 93.4 | Very high | 89.2 | Confident | 56 Ų | 56 | 83 Ų | 83 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | trans | -150.9 | 139.1 | 174.5 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | G74 R92 K160 | G74-S162 WeakPolarHBondContact CA-O 3.5Å; G74-S162 PolarHBondContact O-N 2.8Å; G74-S162 VanDerWaalsContact O-N 3.15Å; R92-S162 WeakPolarHBondContact CD-O 3.26Å; R92-S162 PolarHBondContact NH1-O 3.47Å; R92-S162 PolarHBondContact NH1-OG 2.74Å; K160-S162 PolarHBondContact O-N 3.28Å | ||
| 163 | L | 92.6 | Very high | 87.4 | Confident | 47 Ų | 47 | 90.9 Ų | 90.9 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 141.9 | 172.7 | -72.6 | 171.9 | 0 | 0 | 0 | 109.8 | R73 V93 I94 E168 | R73-L163 HydrophobicContact CB-CD1 4.02Å; R73-L163 HydrophobicContact CB-CD2 4.27Å; R73-L163 HydrophobicContact CB-CG 4.35Å; V93-L163 WeakPolarHBondContact O-CD2 3.48Å; I94-L163 HydrophobicContact CD1-CD2 4.17Å; L163-E168 HydrophobicContact CD1-CG 4.01Å |
| 164 | P | 88.6 | Confident | 85.6 | Confident | 37 Ų | 37 | 94.6 Ų | 94.6 | 24% | 0.24 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 149.3 | 169.7 | 23.2 | -26.8 | 0 | 0 | 0 | 110.1 | I94 N166 R167 | I94-P164 HydrophobicContact CD1-CG 4.12Å; P164-N166 PolarHBondContact O-N 2.99Å; P164-R167 HydrophobicContact CB-CG 4.37Å; P164-R167 HydrophobicContact CG-CB 3.9Å; P164-R167 HydrophobicContact CG-CG 3.78Å; P164-R167 PolarHBondContact O-N 3.19Å |
| 165 | P | 85.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 67% | 0.669 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 142.2 | -178.8 | 24.2 | -33.5 | 0 | 0 | 0 | 110.9 | R167 | P165-R167 PolarHBondContact O-N 3.25Š|
| 166 | N | 84.4 | Confident | 81.6 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 21.5 | -179.5 | -49.3 | -37.3 | 0 | 0 | 0 | 115.1 | P164 | P164-N166 PolarHBondContact O-N 2.99Š|
| 167 | R | 87.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 103.1 Ų | 103.1 | 2% | 0.023 | 53% | 0.53 | C | S | . | . | trans | -119.1 | 14.3 | 172.4 | -61.3 | -60 | -64.3 | 135 | -10.1 | 113 | I94 R102 E121 P164 P165 | I94-R167 HydrophobicContact CD1-CB 4.48Å; I94-R167 HydrophobicContact CG2-CB 4.16Å; I94-R167 WeakPolarHBondContact CG2-O 3.36Å; R102-R167 VanDerWaalsContact O-CZ 3.32Å; R102-R167 PolarHBondContact O-NH1 2.81Å; R102-R167 PolarHBondContact O-NH2 2.78Å; E121-R167 IonicContact OE1-CZ 3.64Å; E121-R167 IonicContact OE1-NE 3.55Å; E121-R167 IonicContact OE1-NH2 2.73Å; E121-R167 PolarHBondContact OE1-NH2 2.88Å; E121-R167 IonicContact OE2-CZ 2.74Å; E121-R167 VanDerWaalsContact OE2-CZ 3.27Å; E121-R167 IonicContact OE2-NE 3.49Å; E121-R167 PolarHBondContact OE2-NE 2.63Å; E121-R167 IonicContact OE2-NH2 3.54Å; E121-R167 PolarHBondContact OE2-NH2 3.46Å; P164-R167 HydrophobicContact CB-CG 4.37Å; P164-R167 HydrophobicContact CG-CB 3.9Å; P164-R167 HydrophobicContact CG-CG 3.78Å; P164-R167 PolarHBondContact O-N 3.19Å; P165-R167 PolarHBondContact O-N 3.25Å | ||
| 168 | E | 87.6 | Confident | 78.1 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 66% | 0.664 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -64.6 | 148.2 | 170.7 | -62.6 | -174.5 | 166.9 | 0 | 0 | 109.9 | L163 | L163-E168 HydrophobicContact CD1-CG 4.01Š|
| 169 | P | 87.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 100.4 Ų | 100.4 | 12% | 0.123 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 149.2 | 170.1 | -22.6 | 33.6 | 0 | 0 | 0 | 111.1 | D99 F100 I101 | D99-P169 HydrophobicContact CB-CB 4.07Å; D99-P169 HydrophobicContact CB-CG 4.21Å; D99-P169 WeakPolarHBondContact OD2-CG 3.45Å; F100-P169 WeakPolarHBondContact O-CA 3.42Å; I101-P169 HydrophobicContact CD1-CB 3.91Å; I101-P169 HydrophobicContact CD1-CG 3.88Å |
| 170 | L | 87.1 | Confident | 76.2 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 34% | 0.335 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -73.8 | 132.4 | 171.6 | -59.8 | 165.7 | 0 | 0 | 0 | 108.1 | F100 R102 Y110 A172 | F100-L170 HydrophobicContact CB-CB 4.22Å; F100-L170 PolarHBondContact O-N 3.24Å; R102-L170 HydrophobicContact CB-CD1 4.49Å; Y110-L170 HydrophobicContact CD1-CD1 3.37Å; Y110-L170 HydrophobicContact CE1-CD1 3.38Å; L170-A172 PolarHBondContact O-N 2.83Å |
| 171 | D | 78.2 | Confident | 75.1 | Confident | 108 Ų | 108 | 102.3 Ų | 102.3 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 125.8 | 171.6 | -68.8 | -37.6 | 0 | 0 | 0 | 108 | E173 E174 | D171-E173 PolarHBondContact O-N 3.34Å; D171-E174 PolarHBondContact O-N 2.8Å |
| 172 | A | 59 | Low | 74 | Confident | 72 Ų | 72 | 104.6 Ų | 104.6 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F100 L170 | F100-A172 HydrophobicContact CD2-CB 4.36Å; F100-A172 HydrophobicContact CE2-CB 4.42Å; L170-A172 PolarHBondContact O-N 2.83Å |
| 173 | E | 55.7 | Low | 72.7 | Confident | 179 Ų | 179 | 107.8 Ų | 107.8 | 84% | 0.836 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -8.6 | -175 | -62.2 | -176.2 | 178.6 | 0 | 0 | 113.4 | D171 | D171-E173 PolarHBondContact O-N 3.34Š|
| 174 | E | 55 | Low | 71.2 | Confident | 154 Ų | 154 | 112.1 Ų | 112.1 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -93.1 | -6.3 | -176.5 | -71.9 | -170.2 | 158.1 | 0 | 0 | 114.8 | D171 | D171-E174 PolarHBondContact O-N 2.8Š|
| 175 | D | 50.9 | Low | 69.9 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -103 | 8.1 | -173.7 | -76.6 | -30.7 | 0 | 0 | 0 | 114.3 | ||
| 176 | D | 50 | Low | 68.6 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 82% | 0.824 | 61% | 0.614 | S | S | * | * | trans | -97.5 | 11.4 | 179.5 | -80.8 | -23.5 | 0 | 0 | 0 | 114.5 | ||||
| 177 | E | 40 | Very low | 67.2 | Low | 265 Ų | 265 | 117.7 Ų | 117.7 | 100% | 1.238 | 60% | 0.604 | S | S | * | * | trans | -104.1 | 0 | 173.6 | -73.6 | -168.9 | 167.2 | 0 | 0 | 114.5 |
Retrieved 177 of 177 residues in 218.5 ms
(Link to these results)