| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.3 | Very low | 74.4 | Confident | 221 Ų | 221 | 98.1 Ų | 98.1 | 100% | 1.089 | 52% | 0.524 | S | S | * | . | 0 | 133.1 | 0 | -75.6 | 70.6 | 165.7 | 0 | 0 | 107.7 | |||||
| 2 | N | 53.5 | Low | 75.9 | Confident | 160 Ų | 160 | 90.5 Ų | 90.5 | 86% | 0.856 | 48% | 0.483 | S | S | * | . | trans | -84 | 114.9 | 172.7 | -70.4 | 59 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 63.6 | Low | 77.2 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -63.3 | 141.9 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | V5 D39 | S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 WeakPolarHBondContact OG-CG2 3.46Å; S3-V5 PolarHBondContact OG-N 2.91Å; S3-D39 WeakPolarHBondContact CA-OD2 3.48Å; S3-D39 VanDerWaalsContact CB-OD2 3.24Å; S3-D39 WeakPolarHBondContact CB-OD2 3.41Å; S3-D39 PolarHBondContact OG-OD1 3.07Å; S3-D39 PolarHBondContact OG-OD2 3.37Å | ||
| 4 | N | 73.2 | Confident | 78.3 | Confident | 44 Ų | 44 | 93.3 Ų | 93.3 | 24% | 0.235 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -88.1 | 6.1 | 174.6 | -68.1 | -55.3 | 0 | 0 | 0 | 112.8 | E6 N7 T41 | N4-E6 PolarHBondContact O-N 3.04Å; N4-N7 HydrophobicContact CB-CB 4.48Å; N4-N7 WeakPolarHBondContact O-CA 3.48Å; N4-N7 WeakPolarHBondContact O-CB 3.37Å; N4-N7 PolarHBondContact O-N 2.77Å; N4-N7 PolarHBondContact OD1-ND2 2.83Å; N4-T41 HydrophobicContact CB-CG2 4.33Å; N4-T41 WeakPolarHBondContact CB-OG1 3.45Å; N4-T41 PolarHBondContact N-OG1 3.23Å |
| 5 | V | 69.2 | Low | 79.3 | Confident | 47 Ų | 47 | 94.5 Ų | 94.5 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -54.7 | -40.3 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | S3 N7 L13 D39 T41 | S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 WeakPolarHBondContact OG-CG2 3.46Å; S3-V5 PolarHBondContact OG-N 2.91Å; V5-N7 PolarHBondContact O-N 3.33Å; V5-L13 HydrophobicContact CG1-CD1 4.19Å; V5-L13 HydrophobicContact CG1-CD2 4.48Å; V5-D39 WeakPolarHBondContact CG2-OD1 3.24Å; V5-T41 HydrophobicContact CB-CG2 4.35Å; V5-T41 HydrophobicContact CG2-CG2 3.81Å |
| 6 | E | 69.8 | Low | 80.3 | Confident | 186 Ų | 186 | 88.8 Ų | 88.8 | 87% | 0.869 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -70.4 | -16.7 | 178.3 | -61.6 | -176.8 | 162.2 | 0 | 0 | 113.6 | N4 | N4-E6 PolarHBondContact O-N 3.04Š|
| 7 | N | 80.4 | Confident | 81.1 | Confident | 87 Ų | 87 | 92.2 Ų | 92.2 | 47% | 0.465 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -92.5 | -5.3 | -174.9 | -65.9 | -43.9 | 0 | 0 | 0 | 113.6 | N4 V5 K68 | N4-N7 HydrophobicContact CB-CB 4.48Å; N4-N7 WeakPolarHBondContact O-CA 3.48Å; N4-N7 WeakPolarHBondContact O-CB 3.37Å; N4-N7 PolarHBondContact O-N 2.77Å; N4-N7 PolarHBondContact OD1-ND2 2.83Å; V5-N7 PolarHBondContact O-N 3.33Å; N7-K68 HydrophobicContact CB-CB 3.99Å |
| 8 | L | 88.1 | Confident | 81.8 | Confident | 9 Ų | 9 | 95.7 Ų | 95.7 | 5% | 0.047 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -109.5 | 140.9 | -179.4 | -70.7 | -178.6 | 0 | 0 | 0 | 112.1 | V12 L13 T41 L66 G67 F70 | L8-V12 HydrophobicContact CD1-CG1 4.41Å; L8-V12 HydrophobicContact CD2-CG1 4.48Å; L8-L13 HydrophobicContact CB-CD2 3.8Å; L8-L13 HydrophobicContact CB-CG 3.95Å; L8-L13 HydrophobicContact CD1-CD2 4.02Å; L8-T41 HydrophobicContact CD1-CG2 3.72Å; L8-T41 HydrophobicContact CG-CG2 4.49Å; L8-L66 HydrophobicContact CD1-CB 4.13Å; L8-G67 WeakPolarHBondContact CD2-O 3.34Å; L8-F70 HydrophobicContact CD2-CB 4.17Å |
| 9 | P | 90.7 | Very high | 82.6 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 36% | 0.357 | 46% | 0.46 | S | S | . | . | trans | -57.7 | 142.6 | 175.3 | -24.1 | 33.2 | 0 | 0 | 0 | 112.1 | H11 V12 L13 | P9-H11 VanDerWaalsContact CB-CE1 3.49Å; P9-H11 WeakPolarHBondContact CB-CE1 3.41Å; P9-H11 WeakPolarHBondContact CB-ND1 3.48Å; P9-H11 PolarHBondContact O-N 3.48Å; P9-V12 HydrophobicContact CB-CB 4.48Å; P9-V12 HydrophobicContact CB-CG2 4.04Å; P9-V12 HydrophobicContact CG-CG2 4.06Å; P9-V12 WeakPolarHBondContact O-CA 3.36Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.01Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 91.1 | Very high | 83.2 | Confident | 103 Ų | 103 | 89 Ų | 89 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.1 | -32.7 | -176.5 | -28.9 | 34.9 | 0 | 0 | 0 | 114.8 | R14 | P10-R14 PolarHBondContact O-N 3.06Å |
| 11 | H | 92.1 | Very high | 83.7 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.6 | -35.8 | 176.4 | 75.1 | -87.2 | 0 | 0 | 0 | 112.1 | P9 R14 L15 | P9-H11 VanDerWaalsContact CB-CE1 3.49Å; P9-H11 WeakPolarHBondContact CB-CE1 3.41Å; P9-H11 WeakPolarHBondContact CB-ND1 3.48Å; P9-H11 PolarHBondContact O-N 3.48Å; H11-R14 PolarHBondContact O-N 3.38Å; H11-L15 WeakPolarHBondContact O-CG 3.43Å; H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å |
| 12 | V | 93 | Very high | 86.1 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | L8 P9 R14 L15 V16 F70 | L8-V12 HydrophobicContact CD1-CG1 4.41Å; L8-V12 HydrophobicContact CD2-CG1 4.48Å; P9-V12 HydrophobicContact CB-CB 4.48Å; P9-V12 HydrophobicContact CB-CG2 4.04Å; P9-V12 HydrophobicContact CG-CG2 4.06Å; P9-V12 WeakPolarHBondContact O-CA 3.36Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.01Å; V12-R14 VanDerWaalsContact C-N 3.27Å; V12-R14 PolarHBondContact O-N 2.94Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 2.82Å; V12-V16 HydrophobicContact CG1-CG2 4.19Å; V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.37Å; V12-F70 HydrophobicContact CG1-CD1 3.76Å; V12-F70 HydrophobicContact CG1-CE1 4.09Å |
| 13 | L | 92.8 | Very high | 88.1 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.2 | -41.9 | 176.6 | -69.5 | 173.3 | 0 | 0 | 0 | 112.1 | V5 L8 P9 V16 Y17 I40 T41 | V5-L13 HydrophobicContact CG1-CD1 4.19Å; V5-L13 HydrophobicContact CG1-CD2 4.48Å; L8-L13 HydrophobicContact CB-CD2 3.8Å; L8-L13 HydrophobicContact CB-CG 3.95Å; L8-L13 HydrophobicContact CD1-CD2 4.02Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å; L13-V16 PolarHBondContact O-N 3.17Å; L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 2.88Å; L13-I40 HydrophobicContact CB-CD1 4.08Å; L13-I40 HydrophobicContact CD2-CD1 3.83Å; L13-I40 HydrophobicContact CD2-CG1 4.12Å; L13-I40 WeakPolarHBondContact O-CD1 3.31Å; L13-T41 HydrophobicContact CD2-CG2 3.97Å |
| 14 | R | 92.9 | Very high | 89.6 | Confident | 190 Ų | 190 | 71.4 Ų | 71.4 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 176.6 | -168.4 | 179.3 | -61.3 | 155.1 | 3 | 112.6 | P10 H11 V12 K18 | P10-R14 PolarHBondContact O-N 3.06Å; H11-R14 PolarHBondContact O-N 3.38Å; V12-R14 VanDerWaalsContact C-N 3.27Å; V12-R14 PolarHBondContact O-N 2.94Å; R14-K18 WeakPolarHBondContact O-CB 3.28Å; R14-K18 PolarHBondContact O-N 3.4Å; R14-K18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 93.4 | Very high | 90.7 | Very high | 112 Ų | 112 | 73.4 Ų | 73.4 | 59% | 0.586 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -45.6 | 175.4 | -70.1 | 171.9 | 0 | 0 | 0 | 111.2 | H11 V12 K18 E19 | H11-L15 WeakPolarHBondContact O-CG 3.43Å; H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 2.82Å; L15-K18 PolarHBondContact O-N 3.31Å; L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 3.15Å |
| 16 | V | 94.4 | Very high | 92 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | V12 L13 K18 E19 V20 I40 L66 F70 L109 | V12-V16 HydrophobicContact CG1-CG2 4.19Å; V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.37Å; L13-V16 PolarHBondContact O-N 3.17Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.11Å; V16-E19 PolarHBondContact O-N 2.72Å; V16-V20 HydrophobicContact CG1-CG2 4.12Å; V16-V20 WeakPolarHBondContact O-CB 3.22Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 3.26Å; V16-V20 PolarHBondContact O-N 3.07Å; V16-I40 HydrophobicContact CG1-CD1 4.45Å; V16-I40 WeakPolarHBondContact CG1-O 3.45Å; V16-L66 HydrophobicContact CB-CD2 4.42Å; V16-L66 HydrophobicContact CG1-CD2 3.9Å; V16-L66 HydrophobicContact CG2-CD2 3.56Å; V16-F70 HydrophobicContact CG2-CD1 4.26Å; V16-F70 HydrophobicContact CG2-CE1 3.59Å; V16-F70 HydrophobicContact CG2-CZ 4.4Å; V16-L109 HydrophobicContact CG1-CD1 4.41Å |
| 17 | Y | 93.8 | Very high | 93.3 | Very high | 147 Ų | 147 | 69.9 Ų | 69.9 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.7 | -50.3 | 176.7 | -178.1 | -92.9 | 0 | 0 | 0 | 111.5 | L13 E19 V20 S21 I40 | L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 2.88Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 3.34Å; Y17-V20 PolarHBondContact O-N 3.14Å; Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.44Å; Y17-S21 PolarHBondContact O-OG 3.29Å; Y17-S21 VanDerWaalsContact O-OG 3.06Å; Y17-I40 HydrophobicContact CD2-CG2 4.29Å |
| 18 | K | 94.5 | Very high | 94.1 | Very high | 156 Ų | 156 | 66.3 Ų | 66.3 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.5 | -42.4 | 177.9 | -175 | -178.2 | 176.9 | -175.9 | 0 | 111.8 | R14 L15 V16 A22 | R14-K18 WeakPolarHBondContact O-CB 3.28Å; R14-K18 PolarHBondContact O-N 3.4Å; R14-K18 VanDerWaalsContact O-N 3.11Å; L15-K18 PolarHBondContact O-N 3.31Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.11Å; K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.98Å |
| 19 | E | 95.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 73.9 Ų | 73.9 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67 | -45.8 | 179.6 | -174.6 | 175.1 | -158.2 | 0 | 0 | 111.9 | L15 V16 Y17 A22 L23 G108 L109 R110 | L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 3.15Å; V16-E19 PolarHBondContact O-N 2.72Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 3.34Å; E19-A22 PolarHBondContact O-N 2.98Å; E19-L23 HydrophobicContact CG-CD1 3.97Å; E19-L23 HydrophobicContact CG-CG 4.43Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.46Å; E19-L23 PolarHBondContact O-N 2.87Å; E19-G108 VanDerWaalsContact OE1-C 3.31Å; E19-G108 VanDerWaalsContact OE1-CA 3.26Å; E19-G108 WeakPolarHBondContact OE1-CA 3.24Å; E19-L109 HydrophobicContact CG-CB 4.45Å; E19-L109 PolarHBondContact OE1-N 2.89Å; E19-L109 WeakPolarHBondContact OE2-CG 3.45Å; E19-L109 PolarHBondContact OE2-N 3.4Å; E19-L109 VanDerWaalsContact OE2-N 3.15Å; E19-R110 PolarHBondContact OE1-N 2.86Å |
| 20 | V | 95.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 71.9 Ų | 71.9 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V16 Y17 A22 L23 A24 I33 P35 L43 L109 | V16-V20 HydrophobicContact CG1-CG2 4.12Å; V16-V20 WeakPolarHBondContact O-CB 3.22Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 3.26Å; V16-V20 PolarHBondContact O-N 3.07Å; Y17-V20 PolarHBondContact O-N 3.14Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.11Å; V20-L23 PolarHBondContact O-N 3.07Å; V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.42Å; V20-I33 HydrophobicContact CG1-CG2 4.45Å; V20-P35 HydrophobicContact CG1-CB 3.9Å; V20-P35 HydrophobicContact CG1-CG 4.06Å; V20-L43 HydrophobicContact CB-CD1 4.4Å; V20-L43 HydrophobicContact CG1-CD1 3.68Å; V20-L43 HydrophobicContact CG2-CD1 3.82Å; V20-L109 HydrophobicContact CG2-CD1 3.8Å |
| 21 | S | 94.6 | Very high | 95.1 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | Y17 A24 A25 | Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.44Å; Y17-S21 PolarHBondContact O-OG 3.29Å; Y17-S21 VanDerWaalsContact O-OG 3.06Å; S21-A24 PolarHBondContact O-N 3.19Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.35Å |
| 22 | A | 95.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K18 E19 V20 A25 D26 | K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.98Å; E19-A22 PolarHBondContact O-N 2.98Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.11Å; A22-A25 PolarHBondContact O-N 3.27Å; A22-D26 PolarHBondContact O-N 2.72Å |
| 23 | L | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -34 | 176.4 | -81.4 | 170.6 | 0 | 0 | 0 | 112.8 | E19 V20 D26 P27 P28 I33 L109 R110 L113 | E19-L23 HydrophobicContact CG-CD1 3.97Å; E19-L23 HydrophobicContact CG-CG 4.43Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.46Å; E19-L23 PolarHBondContact O-N 2.87Å; V20-L23 PolarHBondContact O-N 3.07Å; L23-D26 CarbonylContact O-C 3.25Å; L23-P27 WeakPolarHBondContact O-CA 3.36Å; L23-P27 WeakPolarHBondContact O-CB 3.12Å; L23-P27 VanDerWaalsContact O-N 3.13Å; L23-P28 HydrophobicContact CD2-CG 4.34Å; L23-I33 HydrophobicContact CB-CD1 4.39Å; L23-I33 HydrophobicContact CB-CG1 3.99Å; L23-L109 HydrophobicContact CD1-CB 3.84Å; L23-R110 HydrophobicContact CD2-CB 3.86Å; L23-R110 HydrophobicContact CD2-CG 4.06Å; L23-L113 HydrophobicContact CD1-CD1 4.39Å |
| 24 | A | 95.1 | Very high | 95.6 | Very high | 42 Ų | 42 | 70.9 Ų | 70.9 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V20 S21 I33 P35 | V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.42Å; S21-A24 PolarHBondContact O-N 3.19Å; A24-I33 HydrophobicContact CB-CB 4.31Å; A24-I33 HydrophobicContact CB-CG2 4.45Å; A24-P35 HydrophobicContact CB-CG 3.61Å |
| 25 | A | 96.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -75.2 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S21 A22 | S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.35Å; A22-A25 PolarHBondContact O-N 3.27Å |
| 26 | D | 96.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -133.8 | 75.2 | -179.8 | 178.7 | 44.3 | 0 | 0 | 0 | 110.6 | A22 L23 R110 | A22-D26 PolarHBondContact O-N 2.72Å; L23-D26 CarbonylContact O-C 3.25Å; D26-R110 PolarHBondContact O-NH2 3.35Å; D26-R110 IonicContact OD2-NH2 3.78Å |
| 27 | P | 96.5 | Very high | 94.5 | Very high | 53 Ų | 53 | 71.3 Ų | 71.3 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 147.8 | -176.9 | 29 | -34.2 | 0 | 0 | 0 | 111.8 | L23 I31 | L23-P27 WeakPolarHBondContact O-CA 3.36Å; L23-P27 WeakPolarHBondContact O-CB 3.12Å; L23-P27 VanDerWaalsContact O-N 3.13Å; P27-I31 VanDerWaalsContact CB-O 3.31Å; P27-I31 WeakPolarHBondContact CB-O 3.42Å |
| 28 | P | 96.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 73.1 Ų | 73.1 | 8% | 0.078 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 150.8 | 167.9 | -17.3 | 28.1 | 0 | 0 | 0 | 111.7 | L23 G30 I31 R110 L114 | L23-P28 HydrophobicContact CD2-CG 4.34Å; P28-G30 PolarHBondContact O-N 3.21Å; P28-I31 HydrophobicContact CB-CB 4.28Å; P28-I31 HydrophobicContact CB-CD1 4.01Å; P28-I31 HydrophobicContact CB-CG1 4.24Å; P28-I31 HydrophobicContact CG-CB 4.49Å; P28-I31 HydrophobicContact CG-CD1 4.26Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 PolarHBondContact O-N 2.98Å; P28-R110 HydrophobicContact CG-CG 4.24Å; P28-L114 HydrophobicContact CB-CD2 3.95Å |
| 29 | E | 96.3 | Very high | 93.8 | Very high | 168 Ų | 168 | 66.9 Ų | 66.9 | 79% | 0.785 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 131.9 | 178.4 | -175.8 | -174.6 | -175.7 | 0 | 0 | 112.1 | I31 K117 | E29-I31 PolarHBondContact O-N 2.9Å; E29-K117 PolarHBondContact O-NZ 3.32Å |
| 30 | G | 96.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 18.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P28 I47 E48 | P28-G30 PolarHBondContact O-N 3.21Å; G30-I47 CarbonylContact O-C 3.45Å; G30-I47 WeakPolarHBondContact O-CA 3.48Å; G30-E48 WeakPolarHBondContact O-CB 3.42Å; G30-E48 PolarHBondContact O-N 3.41Å |
| 31 | I | 98 | Very high | 93.2 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.3 | 173.8 | -54.6 | -171 | 0 | 0 | 0 | 108.2 | P27 P28 E29 I33 S46 I47 L113 K117 | P27-I31 VanDerWaalsContact CB-O 3.31Å; P27-I31 WeakPolarHBondContact CB-O 3.42Å; P28-I31 HydrophobicContact CB-CB 4.28Å; P28-I31 HydrophobicContact CB-CD1 4.01Å; P28-I31 HydrophobicContact CB-CG1 4.24Å; P28-I31 HydrophobicContact CG-CB 4.49Å; P28-I31 HydrophobicContact CG-CD1 4.26Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 PolarHBondContact O-N 2.98Å; E29-I31 PolarHBondContact O-N 2.9Å; I31-I33 HydrophobicContact CG2-CD1 4.03Å; I31-S46 CarbonylContact C-O 3.57Å; I31-S46 VanDerWaalsContact CA-O 3.31Å; I31-S46 WeakPolarHBondContact CA-O 3.48Å; I31-I47 HydrophobicContact CD1-CD1 4.48Å; I31-I47 HydrophobicContact CD1-CG1 4.37Å; I31-I47 HydrophobicContact CG1-CG1 4.2Å; I31-I47 HydrophobicContact CG1-CG2 4.48Å; I31-I47 HydrophobicContact CG2-CG1 4.36Å; I31-L113 HydrophobicContact CD1-CB 3.91Å; I31-L113 HydrophobicContact CG2-CD1 4.29Å; I31-K117 HydrophobicContact CD1-CB 4.46Å; I31-K117 HydrophobicContact CD1-CD 4.4Å; I31-K117 HydrophobicContact CG1-CD 4.47Å |
| 32 | K | 97.3 | Very high | 93.2 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.4 | 171.9 | -60.3 | 179.1 | -177.5 | 170.6 | 0 | 109.7 | Y34 T45 S46 | K32-Y34 HydrophobicContact CB-CE2 4.41Å; K32-T45 CarbonylContact O-C 3.53Å; K32-T45 WeakPolarHBondContact O-CA 3.43Å; K32-T45 VanDerWaalsContact O-CB 3.23Å; K32-T45 WeakPolarHBondContact O-CB 3.35Å; K32-S46 PolarHBondContact N-O 3.22Å; K32-S46 PolarHBondContact O-N 2.86Å |
| 33 | I | 96.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.1 | -179.2 | -47.7 | -62.6 | 0 | 0 | 0 | 108.3 | V20 L23 A24 I31 P35 L43 T45 L113 | V20-I33 HydrophobicContact CG1-CG2 4.45Å; L23-I33 HydrophobicContact CB-CD1 4.39Å; L23-I33 HydrophobicContact CB-CG1 3.99Å; A24-I33 HydrophobicContact CB-CB 4.31Å; A24-I33 HydrophobicContact CB-CG2 4.45Å; I31-I33 HydrophobicContact CG2-CD1 4.03Å; I33-P35 HydrophobicContact CG2-CG 4.28Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å; I33-L43 HydrophobicContact CG2-CD1 3.63Å; I33-L43 HydrophobicContact CG2-CD2 4.46Å; I33-L43 HydrophobicContact CG2-CG 4.35Å; I33-T45 HydrophobicContact CD1-CG2 3.51Å; I33-L113 HydrophobicContact CD1-CD1 3.58Å |
| 34 | Y | 94.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 66.2 Ų | 66.2 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 86 | 174.7 | -51.6 | -78 | 0 | 0 | 0 | 107.7 | K32 S36 H44 S46 | K32-Y34 HydrophobicContact CB-CE2 4.41Å; Y34-S36 PolarHBondContact O-N 3.29Å; Y34-H44 HydrophobicContact CD2-CB 4.42Å; Y34-H44 PolarHBondContact N-O 3.47Å; Y34-S46 PolarHBondContact OH-OG 3.45Å |
| 35 | P | 88.4 | Confident | 93.3 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | trans | -58.8 | 137.5 | 178.3 | -22.6 | 34.4 | 0 | 0 | 0 | 110.8 | V20 A24 I33 | V20-P35 HydrophobicContact CG1-CB 3.9Å; V20-P35 HydrophobicContact CG1-CG 4.06Å; A24-P35 HydrophobicContact CB-CG 3.61Å; I33-P35 HydrophobicContact CG2-CG 4.28Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å | ||
| 36 | S | 86.9 | Confident | 93.4 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | trans | -97.2 | 133.4 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | Y34 E38 D39 | Y34-S36 PolarHBondContact O-N 3.29Å; S36-E38 PolarHBondContact OG-N 3.09Å; S36-D39 WeakPolarHBondContact CB-O 3.5Å; S36-D39 PolarHBondContact OG-N 3.41Å | ||
| 37 | E | 81.2 | Confident | 93.5 | Very high | 201 Ų | 201 | 55.3 Ų | 55.3 | 94% | 0.939 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -80.5 | -24.1 | 172.7 | -63.5 | -173.3 | -177.5 | 0 | 0 | 112 | ||
| 38 | E | 85 | Confident | 93.6 | Very high | 185 Ų | 185 | 56.7 Ų | 56.7 | 86% | 0.864 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -86.5 | -40.8 | -176.1 | -62.6 | -179.1 | -177.6 | 0 | 0 | 112.4 | S36 | S36-E38 PolarHBondContact OG-N 3.09Š|
| 39 | D | 88.4 | Confident | 93.6 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | trans | -140.2 | 99.7 | -175.4 | -168.1 | -16.2 | 0 | 0 | 0 | 111.6 | S3 V5 S36 T41 | S3-D39 WeakPolarHBondContact CA-OD2 3.48Å; S3-D39 VanDerWaalsContact CB-OD2 3.24Å; S3-D39 WeakPolarHBondContact CB-OD2 3.41Å; S3-D39 PolarHBondContact OG-OD1 3.07Å; S3-D39 PolarHBondContact OG-OD2 3.37Å; V5-D39 WeakPolarHBondContact CG2-OD1 3.24Å; S36-D39 WeakPolarHBondContact CB-O 3.5Å; S36-D39 PolarHBondContact OG-N 3.41Å; D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 WeakPolarHBondContact OD1-CA 3.32Å; D39-T41 VanDerWaalsContact OD1-CB 3.3Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 PolarHBondContact OD1-N 3.36Å; D39-T41 PolarHBondContact OD1-OG1 3.42Å; D39-T41 PolarHBondContact OD2-OG1 3.05Å | ||
| 40 | I | 88.3 | Confident | 93.7 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.179 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.3 | 177.1 | 65.9 | 161.3 | 0 | 0 | 0 | 113.3 | L13 V16 Y17 E42 | L13-I40 HydrophobicContact CB-CD1 4.08Å; L13-I40 HydrophobicContact CD2-CD1 3.83Å; L13-I40 HydrophobicContact CD2-CG1 4.12Å; L13-I40 WeakPolarHBondContact O-CD1 3.31Å; V16-I40 HydrophobicContact CG1-CD1 4.45Å; V16-I40 WeakPolarHBondContact CG1-O 3.45Å; Y17-I40 HydrophobicContact CD2-CG2 4.29Å; I40-E42 VanDerWaalsContact C-N 3.3Å |
| 41 | T | 91.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | N4 V5 L8 L13 D39 L66 | N4-T41 HydrophobicContact CB-CG2 4.33Å; N4-T41 WeakPolarHBondContact CB-OG1 3.45Å; N4-T41 PolarHBondContact N-OG1 3.23Å; V5-T41 HydrophobicContact CB-CG2 4.35Å; V5-T41 HydrophobicContact CG2-CG2 3.81Å; L8-T41 HydrophobicContact CD1-CG2 3.72Å; L8-T41 HydrophobicContact CG-CG2 4.49Å; L13-T41 HydrophobicContact CD2-CG2 3.97Å; D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 WeakPolarHBondContact OD1-CA 3.32Å; D39-T41 VanDerWaalsContact OD1-CB 3.3Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 PolarHBondContact OD1-N 3.36Å; D39-T41 PolarHBondContact OD1-OG1 3.42Å; D39-T41 PolarHBondContact OD2-OG1 3.05Å; T41-L66 WeakPolarHBondContact O-CD1 3.45Å; T41-L66 PolarHBondContact O-N 2.85Å |
| 42 | E | 94 | Very high | 93.7 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 106.5 | 170.8 | -173.9 | 164.6 | 171.7 | 0 | 0 | 110 | I40 H44 R63 L64 V65 | I40-E42 VanDerWaalsContact C-N 3.3Å; E42-H44 IonicContact OE1-CE1 3.83Å; E42-H44 IonicContact OE1-NE2 3.65Å; E42-R63 VanDerWaalsContact CD-NH1 3.32Å; E42-R63 WeakPolarHBondContact OE1-CD 3.31Å; E42-R63 IonicContact OE1-CZ 2.96Å; E42-R63 IonicContact OE1-NE 2.73Å; E42-R63 IonicContact OE1-NH1 3.28Å; E42-R63 PolarHBondContact OE1-NH1 3.23Å; E42-R63 IonicContact OE2-NH1 3.08Å; E42-R63 PolarHBondContact OE2-NH1 3.49Å; E42-L64 CarbonylContact C-O 3.5Å; E42-L64 WeakPolarHBondContact CA-O 3.3Å; E42-V65 HydrophobicContact CG-CG2 4.45Å |
| 43 | L | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.2 | 179.8 | -174.9 | 68.9 | 0 | 0 | 0 | 110.4 | V20 I33 T45 R63 L64 L109 | V20-L43 HydrophobicContact CB-CD1 4.4Å; V20-L43 HydrophobicContact CG1-CD1 3.68Å; V20-L43 HydrophobicContact CG2-CD1 3.82Å; I33-L43 HydrophobicContact CG2-CD1 3.63Å; I33-L43 HydrophobicContact CG2-CD2 4.46Å; I33-L43 HydrophobicContact CG2-CG 4.35Å; L43-T45 HydrophobicContact CD2-CG2 3.77Å; L43-T45 HydrophobicContact CG-CG2 3.81Å; L43-R63 CarbonylContact O-C 3.46Å; L43-R63 WeakPolarHBondContact O-CA 3.23Å; L43-L64 HydrophobicContact CB-CB 4.29Å; L43-L64 HydrophobicContact CD2-CD1 4.4Å; L43-L64 PolarHBondContact N-O 3.21Å; L43-L64 PolarHBondContact O-N 3.39Å; L43-L109 HydrophobicContact CD2-CD1 4.27Å |
| 44 | H | 96.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.2 | 169.5 | -74.3 | 117.2 | 0 | 0 | 0 | 111.2 | Y34 E42 | Y34-H44 HydrophobicContact CD2-CB 4.42Å; Y34-H44 PolarHBondContact N-O 3.47Å; E42-H44 IonicContact OE1-CE1 3.83Å; E42-H44 IonicContact OE1-NE2 3.65Å |
| 45 | T | 97.7 | Very high | 94 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.6 | 178.9 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | K32 I33 L43 R61 M62 L113 | K32-T45 CarbonylContact O-C 3.53Å; K32-T45 WeakPolarHBondContact O-CA 3.43Å; K32-T45 VanDerWaalsContact O-CB 3.23Å; K32-T45 WeakPolarHBondContact O-CB 3.35Å; I33-T45 HydrophobicContact CD1-CG2 3.51Å; L43-T45 HydrophobicContact CD2-CG2 3.77Å; L43-T45 HydrophobicContact CG-CG2 3.81Å; T45-R61 WeakPolarHBondContact O-CA 3.11Å; T45-M62 PolarHBondContact N-O 3.42Å; T45-M62 PolarHBondContact O-N 3.28Å; T45-M62 VanDerWaalsContact O-O 3.07Å; T45-M62 WeakPolarHBondContact OG1-CG 3.43Å; T45-L113 HydrophobicContact CG2-CD1 4.31Å; T45-L113 HydrophobicContact CG2-CD2 3.89Å |
| 46 | S | 97.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.6 | 163 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | I31 K32 Y34 F60 | I31-S46 CarbonylContact C-O 3.57Å; I31-S46 VanDerWaalsContact CA-O 3.31Å; I31-S46 WeakPolarHBondContact CA-O 3.48Å; K32-S46 PolarHBondContact N-O 3.22Å; K32-S46 PolarHBondContact O-N 2.86Å; Y34-S46 PolarHBondContact OH-OG 3.45Å; S46-F60 CarbonylContact C-O 3.58Å; S46-F60 VanDerWaalsContact CA-O 3.29Å; S46-F60 WeakPolarHBondContact CA-O 3.39Å |
| 47 | I | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.7 | 177.4 | -59.1 | -179.2 | 0 | 0 | 0 | 108.1 | G30 I31 F60 M62 I116 K117 L120 | G30-I47 CarbonylContact O-C 3.45Å; G30-I47 WeakPolarHBondContact O-CA 3.48Å; I31-I47 HydrophobicContact CD1-CD1 4.48Å; I31-I47 HydrophobicContact CD1-CG1 4.37Å; I31-I47 HydrophobicContact CG1-CG1 4.2Å; I31-I47 HydrophobicContact CG1-CG2 4.48Å; I31-I47 HydrophobicContact CG2-CG1 4.36Å; I47-F60 PolarHBondContact N-O 3.48Å; I47-F60 PolarHBondContact O-N 3.15Å; I47-M62 HydrophobicContact CD1-SD 3.63Å; I47-M62 HydrophobicContact CG1-SD 4.31Å; I47-I116 HydrophobicContact CD1-CB 4.28Å; I47-I116 HydrophobicContact CD1-CG2 3.85Å; I47-K117 HydrophobicContact CG2-CB 4.26Å; I47-K117 HydrophobicContact CG2-CG 4.13Å; I47-L120 HydrophobicContact CG2-CD1 4.16Å |
| 48 | E | 98.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.4 | 169.6 | -61.9 | -177.2 | -179.1 | 0 | 0 | 108.7 | G30 P50 I59 | G30-E48 WeakPolarHBondContact O-CB 3.42Å; G30-E48 PolarHBondContact O-N 3.41Å; E48-P50 WeakPolarHBondContact O-CD 3.09Å; E48-I59 HydrophobicContact CB-CD1 4.4Å; E48-I59 HydrophobicContact CG-CD1 3.63Å |
| 49 | G | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 122.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F55 G58 | G49-F55 WeakPolarHBondContact CA-O 3.37Å; G49-G58 PolarHBondContact N-O 3.13Å |
| 50 | P | 98.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 144 | -175.6 | -24.6 | 34.4 | 0 | 0 | 0 | 112.5 | E48 T53 K117 L120 I121 | E48-P50 WeakPolarHBondContact O-CD 3.09Å; P50-T53 HydrophobicContact CB-CG2 3.94Å; P50-T53 WeakPolarHBondContact O-CB 3.2Å; P50-T53 PolarHBondContact O-N 3.16Å; P50-T53 PolarHBondContact O-OG1 2.99Å; P50-K117 HydrophobicContact CG-CG 4.07Å; P50-L120 HydrophobicContact CG-CB 4.17Å; P50-I121 HydrophobicContact CB-CD1 4.09Å; P50-I121 HydrophobicContact CB-CG1 3.73Å; P50-I121 HydrophobicContact CG-CD1 4.19Å; P50-I121 HydrophobicContact CG-CG1 3.71Å |
| 51 | E | 96.9 | Very high | 97.3 | Very high | 186 Ų | 186 | 36.1 Ų | 36.1 | 87% | 0.869 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 150.4 | 173.7 | -63.2 | -169.8 | 168.5 | 0 | 0 | 111.6 | T53 | E51-T53 PolarHBondContact O-N 2.84Š|
| 52 | G | 96.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 36 Ų | 36 | 79% | 0.794 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 6.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 53 | T | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -110.6 | 161.3 | 173.5 | 76.6 | 0 | 0 | 0 | 0 | 110.3 | P50 E51 F55 A56 I121 | P50-T53 HydrophobicContact CB-CG2 3.94Å; P50-T53 WeakPolarHBondContact O-CB 3.2Å; P50-T53 PolarHBondContact O-N 3.16Å; P50-T53 PolarHBondContact O-OG1 2.99Å; E51-T53 PolarHBondContact O-N 2.84Å; T53-F55 PolarHBondContact O-N 2.76Å; T53-F55 WeakPolarHBondContact OG1-CB 3.38Å; T53-F55 PolarHBondContact OG1-N 2.89Å; T53-A56 WeakPolarHBondContact O-CB 3.38Å; T53-A56 PolarHBondContact O-N 3.35Å; T53-A56 VanDerWaalsContact O-N 3.14Å; T53-I121 HydrophobicContact CG2-CB 4.41Å; T53-I121 HydrophobicContact CG2-CG1 4.25Å; T53-I121 HydrophobicContact CG2-CG2 4.46Å |
| 54 | P | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.3 | 171.3 | 24.2 | -34.5 | 0 | 0 | 0 | 114.1 | Y144 E145 A148 R149 T152 | P54-Y144 HydrophobicContact CG-CE1 4.08Å; P54-E145 HydrophobicContact CB-CG 4.13Å; P54-A148 HydrophobicContact CB-CB 3.53Å; P54-A148 HydrophobicContact CG-CB 3.76Å; P54-R149 HydrophobicContact CB-CG 3.77Å; P54-R149 WeakPolarHBondContact O-CA 3.5Å; P54-R149 WeakPolarHBondContact O-CG 3.33Å; P54-T152 PolarHBondContact O-OG1 2.92Å |
| 55 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.8 | -179.4 | -49 | -62.3 | 0 | 0 | 0 | 112.9 | G49 T53 G57 G58 F60 I83 H85 L120 Y144 A148 | G49-F55 WeakPolarHBondContact CA-O 3.37Å; T53-F55 PolarHBondContact O-N 2.76Å; T53-F55 WeakPolarHBondContact OG1-CB 3.38Å; T53-F55 PolarHBondContact OG1-N 2.89Å; F55-G57 PolarHBondContact O-N 2.85Å; F55-G58 PolarHBondContact O-N 2.88Å; F55-F60 HydrophobicContact CB-CE2 3.71Å; F55-F60 HydrophobicContact CB-CZ 3.77Å; F55-F60 HydrophobicContact CD1-CE1 4.36Å; F55-F60 AromaticContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CG-CE2 4.49Å; F55-F60 HydrophobicContact CG-CZ 4.2Å; F55-I83 HydrophobicContact CD1-CD1 3.88Å; F55-I83 HydrophobicContact CD1-CG1 4.03Å; F55-I83 HydrophobicContact CE1-CD1 3.69Å; F55-I83 HydrophobicContact CE1-CG1 3.64Å; F55-I83 HydrophobicContact CZ-CD1 4.27Å; F55-I83 HydrophobicContact CZ-CG1 4.49Å; F55-H85 AromaticContact CE2-CD2 3.93Å; F55-H85 HydrophobicContact CZ-CB 4.39Å; F55-H85 AromaticContact CZ-CD2 3.66Å; F55-L120 HydrophobicContact CD2-CB 3.91Å; F55-L120 HydrophobicContact CD2-CD2 4.18Å; F55-L120 WeakPolarHBondContact CD2-O 3.25Å; F55-L120 HydrophobicContact CE2-CB 4.28Å; F55-L120 HydrophobicContact CE2-CD2 4.22Å; F55-L120 VanDerWaalsContact CE2-O 3.28Å; F55-L120 WeakPolarHBondContact CE2-O 3.49Å; F55-Y144 WeakPolarHBondContact CZ-OH 3.26Å; F55-A148 HydrophobicContact CE1-CB 4.04Å; F55-A148 HydrophobicContact CZ-CB 4.42Å |
| 56 | A | 98.2 | Very high | 97.7 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | T53 G58 | T53-A56 WeakPolarHBondContact O-CB 3.38Å; T53-A56 PolarHBondContact O-N 3.35Å; T53-A56 VanDerWaalsContact O-N 3.14Å; A56-G58 PolarHBondContact O-N 2.84Å |
| 57 | G | 96.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 36 Ų | 36 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | F55 | F55-G57 PolarHBondContact O-N 2.85Š|
| 58 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -78.1 | 149.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G49 F55 A56 | G49-G58 PolarHBondContact N-O 3.13Å; F55-G58 PolarHBondContact O-N 2.88Å; A56-G58 PolarHBondContact O-N 2.84Å | ||
| 59 | I | 98.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.1 | 169.9 | -53.1 | -60.5 | 0 | 0 | 0 | 109.6 | E48 A156 | E48-I59 HydrophobicContact CB-CD1 4.4Å; E48-I59 HydrophobicContact CG-CD1 3.63Å; I59-A156 PolarHBondContact N-O 3.26Å |
| 60 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 103.2 | -177.2 | -62.5 | -90.2 | 0 | 0 | 0 | 110.2 | S46 I47 F55 F79 T81 I83 T152 A156 | S46-F60 CarbonylContact C-O 3.58Å; S46-F60 VanDerWaalsContact CA-O 3.29Å; S46-F60 WeakPolarHBondContact CA-O 3.39Å; I47-F60 PolarHBondContact N-O 3.48Å; I47-F60 PolarHBondContact O-N 3.15Å; F55-F60 HydrophobicContact CB-CE2 3.71Å; F55-F60 HydrophobicContact CB-CZ 3.77Å; F55-F60 HydrophobicContact CD1-CE1 4.36Å; F55-F60 AromaticContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CG-CE2 4.49Å; F55-F60 HydrophobicContact CG-CZ 4.2Å; F60-F79 HydrophobicContact CB-CD1 3.93Å; F60-F79 HydrophobicContact CB-CE1 3.71Å; F60-F79 HydrophobicContact CG-CE1 4.38Å; F60-T81 HydrophobicContact CD1-CG2 3.98Å; F60-T81 HydrophobicContact CE1-CG2 4.45Å; F60-I83 HydrophobicContact CD1-CB 4.24Å; F60-I83 HydrophobicContact CD1-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CG1 4.2Å; F60-I83 HydrophobicContact CE1-CB 4.09Å; F60-I83 HydrophobicContact CE1-CD1 3.69Å; F60-I83 HydrophobicContact CE1-CG1 3.75Å; F60-I83 HydrophobicContact CZ-CD1 4.36Å; F60-T152 HydrophobicContact CE2-CG2 4.42Å; F60-T152 HydrophobicContact CZ-CG2 3.88Å; F60-A156 HydrophobicContact CD1-CB 4.2Å; F60-A156 HydrophobicContact CE1-CB 3.79Å; F60-A156 HydrophobicContact CE2-CB 4.11Å; F60-A156 HydrophobicContact CZ-CB 3.75Å |
| 61 | R | 98.2 | Very high | 96.5 | Very high | 113 Ų | 113 | 44.6 Ų | 44.6 | 43% | 0.426 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.5 | 171.4 | -68.2 | -172.6 | -67.2 | -98.1 | 0.7 | 109.2 | T45 L80 T81 | T45-R61 WeakPolarHBondContact O-CA 3.11Å; R61-L80 HydrophobicContact CB-CB 4.15Å; R61-L80 WeakPolarHBondContact O-CA 3.49Å; R61-L80 WeakPolarHBondContact O-CB 3.38Å; R61-L80 PolarHBondContact O-N 2.89Å; R61-T81 PolarHBondContact N-OG1 2.86Å; R61-T81 PolarHBondContact O-N 3.26Å; R61-T81 VanDerWaalsContact O-N 3.09Å |
| 62 | M | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 168.4 | 178.7 | 77 | 167.7 | -53.6 | 0 | 0 | 111.7 | T45 I47 L64 Y78 F79 I94 I116 | T45-M62 PolarHBondContact N-O 3.42Å; T45-M62 PolarHBondContact O-N 3.28Å; T45-M62 VanDerWaalsContact O-O 3.07Å; T45-M62 WeakPolarHBondContact OG1-CG 3.43Å; I47-M62 HydrophobicContact CD1-SD 3.63Å; I47-M62 HydrophobicContact CG1-SD 4.31Å; M62-L64 HydrophobicContact CE-CD2 3.86Å; M62-Y78 CarbonylContact C-O 3.46Å; M62-Y78 WeakPolarHBondContact CA-O 3.16Å; M62-Y78 VanDerWaalsContact CB-O 3.24Å; M62-Y78 WeakPolarHBondContact CB-O 3.33Å; M62-F79 HydrophobicContact CB-CD1 3.98Å; M62-F79 HydrophobicContact CB-CE1 4.39Å; M62-F79 HydrophobicContact SD-CE1 4.42Å; M62-I94 HydrophobicContact CE-CD1 3.35Å; M62-I116 HydrophobicContact CE-CD1 3.66Å; M62-I116 HydrophobicContact CE-CG2 4.29Å; M62-I116 HydrophobicContact SD-CD1 4.06Å; M62-I116 HydrophobicContact SD-CG2 3.99Å |
| 63 | R | 97.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.6 | 173.4 | 61.8 | 172.8 | -174.2 | 140.6 | 7 | 112.1 | E42 L43 G77 Y78 L80 | E42-R63 VanDerWaalsContact CD-NH1 3.32Å; E42-R63 WeakPolarHBondContact OE1-CD 3.31Å; E42-R63 IonicContact OE1-CZ 2.96Å; E42-R63 IonicContact OE1-NE 2.73Å; E42-R63 IonicContact OE1-NH1 3.28Å; E42-R63 PolarHBondContact OE1-NH1 3.23Å; E42-R63 IonicContact OE2-NH1 3.08Å; E42-R63 PolarHBondContact OE2-NH1 3.49Å; L43-R63 CarbonylContact O-C 3.46Å; L43-R63 WeakPolarHBondContact O-CA 3.23Å; R63-G77 WeakPolarHBondContact O-CA 3.38Å; R63-Y78 HydrophobicContact CG-CD2 4.35Å; R63-Y78 PolarHBondContact N-O 3.44Å; R63-Y78 PolarHBondContact O-N 3.42Å; R63-L80 HydrophobicContact CG-CD2 4.01Å; R63-L80 HydrophobicContact CG-CG 4.41Å |
| 64 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128 | 168.8 | -56.9 | -177.2 | 0 | 0 | 0 | 108.9 | E42 L43 M62 P75 K76 L109 V112 L113 I116 | E42-L64 CarbonylContact C-O 3.5Å; E42-L64 WeakPolarHBondContact CA-O 3.3Å; L43-L64 HydrophobicContact CB-CB 4.29Å; L43-L64 HydrophobicContact CD2-CD1 4.4Å; L43-L64 PolarHBondContact N-O 3.21Å; L43-L64 PolarHBondContact O-N 3.39Å; M62-L64 HydrophobicContact CE-CD2 3.86Å; L64-P75 HydrophobicContact CB-CB 4.27Å; L64-P75 HydrophobicContact CD1-CG 4.42Å; L64-K76 CarbonylContact C-O 3.54Å; L64-K76 WeakPolarHBondContact CA-O 3.41Å; L64-L109 HydrophobicContact CD1-CD2 4.11Å; L64-V112 HydrophobicContact CD1-CB 4.39Å; L64-V112 HydrophobicContact CD1-CG1 3.87Å; L64-V112 HydrophobicContact CD2-CG1 4.05Å; L64-L113 HydrophobicContact CD1-CD2 3.86Å; L64-L113 HydrophobicContact CD1-CG 4.16Å; L64-L113 HydrophobicContact CG-CD2 4.45Å; L64-I116 HydrophobicContact CD2-CD1 3.91Å |
| 65 | V | 96.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.7 | 178.4 | -177 | 0 | 0 | 0 | 0 | 108.8 | E42 G67 P75 K76 Y78 | E42-V65 HydrophobicContact CG-CG2 4.45Å; V65-G67 PolarHBondContact O-N 2.97Å; V65-P75 WeakPolarHBondContact O-CA 3.48Å; V65-P75 WeakPolarHBondContact O-CB 3.4Å; V65-K76 PolarHBondContact N-O 3.38Å; V65-K76 PolarHBondContact O-N 2.97Å; V65-Y78 HydrophobicContact CG2-CD2 4.19Å; V65-Y78 HydrophobicContact CG2-CE2 4.06Å |
| 66 | L | 95.3 | Very high | 96 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -79.6 | 110.6 | 176.3 | -65.2 | 89.7 | 0 | 0 | 0 | 108.8 | L8 V16 T41 F70 P75 | L8-L66 HydrophobicContact CD1-CB 4.13Å; V16-L66 HydrophobicContact CB-CD2 4.42Å; V16-L66 HydrophobicContact CG1-CD2 3.9Å; V16-L66 HydrophobicContact CG2-CD2 3.56Å; T41-L66 WeakPolarHBondContact O-CD1 3.45Å; T41-L66 PolarHBondContact O-N 2.85Å; L66-F70 HydrophobicContact CB-CB 4.4Å; L66-F70 HydrophobicContact CB-CG 4.35Å; L66-F70 HydrophobicContact CD2-CD1 3.61Å; L66-F70 HydrophobicContact CD2-CD2 4.17Å; L66-F70 HydrophobicContact CD2-CE1 3.57Å; L66-F70 HydrophobicContact CD2-CE2 4.13Å; L66-F70 HydrophobicContact CD2-CG 3.91Å; L66-F70 HydrophobicContact CD2-CZ 3.83Å; L66-F70 HydrophobicContact CG-CD2 4.42Å; L66-F70 HydrophobicContact CG-CG 4.36Å; L66-P75 HydrophobicContact CG-CB 4.43Å | ||
| 67 | G | 93.1 | Very high | 96 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | trans | -80.1 | 166.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 V65 D69 F70 | L8-G67 WeakPolarHBondContact CD2-O 3.34Å; V65-G67 PolarHBondContact O-N 2.97Å; G67-D69 PolarHBondContact O-N 3.38Å; G67-F70 VanDerWaalsContact O-CB 3.24Å; G67-F70 WeakPolarHBondContact O-CB 3.37Å; G67-F70 PolarHBondContact O-N 2.85Å | ||
| 68 | K | 92 | Very high | 96.1 | Very high | 143 Ų | 143 | 42.2 Ų | 42.2 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -26.8 | 179.4 | 69.1 | -179.8 | -174.5 | 174.1 | 0 | 115.5 | N7 | N7-K68 HydrophobicContact CB-CB 3.99Š|
| 69 | D | 92.7 | Very high | 96.1 | Very high | 92 Ų | 92 | 42.7 Ų | 42.7 | 49% | 0.492 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5 | -177.8 | -52.7 | -55.4 | 0 | 0 | 0 | 112.5 | G67 A72 V73 | G67-D69 PolarHBondContact O-N 3.38Å; D69-A72 WeakPolarHBondContact O-CA 3.4Å; D69-A72 VanDerWaalsContact O-CB 3.32Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.39Å; D69-V73 HydrophobicContact CB-CB 4.1Å; D69-V73 HydrophobicContact CB-CG2 3.77Å; D69-V73 PolarHBondContact O-N 3.17Å |
| 70 | F | 94.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 138 | 174.3 | -179.9 | -86.3 | 0 | 0 | 0 | 110.4 | L8 V12 V16 L66 G67 W103 L109 | L8-F70 HydrophobicContact CD2-CB 4.17Å; V12-F70 HydrophobicContact CG1-CD1 3.76Å; V12-F70 HydrophobicContact CG1-CE1 4.09Å; V16-F70 HydrophobicContact CG2-CD1 4.26Å; V16-F70 HydrophobicContact CG2-CE1 3.59Å; V16-F70 HydrophobicContact CG2-CZ 4.4Å; L66-F70 HydrophobicContact CB-CB 4.4Å; L66-F70 HydrophobicContact CB-CG 4.35Å; L66-F70 HydrophobicContact CD2-CD1 3.61Å; L66-F70 HydrophobicContact CD2-CD2 4.17Å; L66-F70 HydrophobicContact CD2-CE1 3.57Å; L66-F70 HydrophobicContact CD2-CE2 4.13Å; L66-F70 HydrophobicContact CD2-CG 3.91Å; L66-F70 HydrophobicContact CD2-CZ 3.83Å; L66-F70 HydrophobicContact CG-CD2 4.42Å; L66-F70 HydrophobicContact CG-CG 4.36Å; G67-F70 VanDerWaalsContact O-CB 3.24Å; G67-F70 WeakPolarHBondContact O-CB 3.37Å; G67-F70 PolarHBondContact O-N 2.85Å; F70-W103 HydrophobicContact CE2-CH2 4.2Å; F70-W103 HydrophobicContact CE2-CZ2 4.05Å; F70-L109 HydrophobicContact CE2-CD2 4.47Å |
| 71 | P | 94.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.4 | 5.5 | 6.3 | 35.9 | -36.5 | 0 | 0 | 0 | 115.5 | V73 W103 A105 | P71-V73 PolarHBondContact O-N 3.35Å; P71-W103 HydrophobicContact CB-CZ2 4.49Å; P71-W103 WeakPolarHBondContact O-CZ2 3.2Å; P71-W103 PolarHBondContact O-NE1 2.83Å; P71-A105 HydrophobicContact CB-CB 4.09Å; P71-A105 HydrophobicContact CG-CB 4.06Å; P71-A105 WeakPolarHBondContact O-CA 3.5Å |
| 72 | A | 94.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 66% | 0.661 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D69 | D69-A72 WeakPolarHBondContact O-CA 3.4Å; D69-A72 VanDerWaalsContact O-CB 3.32Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.39Å |
| 73 | V | 94.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -109.2 | 140 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 109 | D69 P71 | D69-V73 HydrophobicContact CB-CB 4.1Å; D69-V73 HydrophobicContact CB-CG2 3.77Å; D69-V73 PolarHBondContact O-N 3.17Å; P71-V73 PolarHBondContact O-N 3.35Å |
| 74 | P | 96 | Very high | 96.2 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 157 | 176.8 | 27.5 | -35.7 | 0 | 0 | 0 | 111.1 | L99 K100 W103 | P74-L99 HydrophobicContact CB-CB 4.22Å; P74-L99 HydrophobicContact CG-CB 4.2Å; P74-K100 HydrophobicContact CG-CG 3.75Å; P74-W103 HydrophobicContact CB-CD2 3.69Å; P74-W103 HydrophobicContact CB-CE3 4.05Å; P74-W103 HydrophobicContact CB-CG 3.92Å; P74-W103 HydrophobicContact CB-CZ2 4.45Å; P74-W103 VanDerWaalsContact CD-CD1 3.49Å; P74-W103 HydrophobicContact CG-CB 4.45Å; P74-W103 HydrophobicContact CG-CD2 4.42Å; P74-W103 HydrophobicContact CG-CG 4.12Å |
| 75 | P | 96.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 156.6 | 173.2 | 31.4 | -36.7 | 0 | 0 | 0 | 110.7 | L64 V65 L66 L99 L109 V112 | L64-P75 HydrophobicContact CB-CB 4.27Å; L64-P75 HydrophobicContact CD1-CG 4.42Å; V65-P75 WeakPolarHBondContact O-CA 3.48Å; V65-P75 WeakPolarHBondContact O-CB 3.4Å; L66-P75 HydrophobicContact CG-CB 4.43Å; P75-L99 WeakPolarHBondContact O-CD1 3.28Å; P75-L109 HydrophobicContact CG-CD2 4.08Å; P75-V112 HydrophobicContact CG-CB 4.48Å; P75-V112 HydrophobicContact CG-CG1 4.06Å; P75-V112 HydrophobicContact CG-CG2 3.95Å |
| 76 | K | 96.8 | Very high | 96.4 | Very high | 115 Ų | 115 | 44 Ų | 44 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.2 | 172 | -64 | -179.2 | -177.9 | 177.1 | 0 | 109.4 | L64 V65 Y78 | L64-K76 CarbonylContact C-O 3.54Å; L64-K76 WeakPolarHBondContact CA-O 3.41Å; V65-K76 PolarHBondContact N-O 3.38Å; V65-K76 PolarHBondContact O-N 2.97Å; K76-Y78 HydrophobicContact CB-CE2 3.67Å |
| 77 | G | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R63 I94 | R63-G77 WeakPolarHBondContact O-CA 3.38Å; G77-I94 PolarHBondContact O-N 3.09Å |
| 78 | Y | 98.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.7 | 175.1 | -58.6 | -95.2 | 0 | 0 | 0 | 110.9 | M62 R63 V65 K76 G92 E93 | M62-Y78 CarbonylContact C-O 3.46Å; M62-Y78 WeakPolarHBondContact CA-O 3.16Å; M62-Y78 VanDerWaalsContact CB-O 3.24Å; M62-Y78 WeakPolarHBondContact CB-O 3.33Å; R63-Y78 HydrophobicContact CG-CD2 4.35Å; R63-Y78 PolarHBondContact N-O 3.44Å; R63-Y78 PolarHBondContact O-N 3.42Å; V65-Y78 HydrophobicContact CG2-CD2 4.19Å; V65-Y78 HydrophobicContact CG2-CE2 4.06Å; K76-Y78 HydrophobicContact CB-CE2 3.67Å; Y78-G92 CarbonylContact C-O 3.56Å; Y78-G92 VanDerWaalsContact CA-O 3.25Å; Y78-G92 WeakPolarHBondContact CA-O 3.47Å; Y78-E93 HydrophobicContact CD1-CB 3.72Å; Y78-E93 HydrophobicContact CE1-CB 3.57Å |
| 79 | F | 98.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.8 | 163.6 | -77.5 | -74.6 | 0 | 0 | 0 | 110.1 | F60 M62 I83 V88 G92 I94 I116 L120 | F60-F79 HydrophobicContact CB-CD1 3.93Å; F60-F79 HydrophobicContact CB-CE1 3.71Å; F60-F79 HydrophobicContact CG-CE1 4.38Å; M62-F79 HydrophobicContact CB-CD1 3.98Å; M62-F79 HydrophobicContact CB-CE1 4.39Å; M62-F79 HydrophobicContact SD-CE1 4.42Å; F79-I83 HydrophobicContact CB-CG2 4.15Å; F79-I83 HydrophobicContact CD2-CG2 3.99Å; F79-I83 HydrophobicContact CG-CG2 4.02Å; F79-I83 HydrophobicContact CZ-CD1 4.46Å; F79-V88 HydrophobicContact CD2-CB 4.5Å; F79-V88 HydrophobicContact CD2-CG1 4.01Å; F79-V88 HydrophobicContact CD2-CG2 3.6Å; F79-V88 HydrophobicContact CE2-CG2 3.71Å; F79-G92 PolarHBondContact N-O 2.9Å; F79-G92 WeakPolarHBondContact O-CA 3.49Å; F79-I94 HydrophobicContact CD2-CD1 3.83Å; F79-I94 HydrophobicContact CD2-CG1 3.8Å; F79-I94 HydrophobicContact CE2-CD1 3.63Å; F79-I94 HydrophobicContact CE2-CG1 3.87Å; F79-I94 HydrophobicContact CZ-CD1 4.36Å; F79-I116 HydrophobicContact CE2-CG2 4.29Å; F79-I116 HydrophobicContact CZ-CG2 3.81Å; F79-L120 HydrophobicContact CZ-CD2 4.05Å |
| 80 | L | 98.1 | Very high | 97.2 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -90.4 | -34.2 | 171.5 | -57.3 | -179.9 | 0 | 0 | 0 | 110.4 | R61 R63 | R61-L80 HydrophobicContact CB-CB 4.15Å; R61-L80 WeakPolarHBondContact O-CA 3.49Å; R61-L80 WeakPolarHBondContact O-CB 3.38Å; R61-L80 PolarHBondContact O-N 2.89Å; R63-L80 HydrophobicContact CG-CD2 4.01Å; R63-L80 HydrophobicContact CG-CG 4.41Å |
| 81 | T | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -74.2 | 129.4 | 167.6 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | F60 R61 I83 H155 A156 | F60-T81 HydrophobicContact CD1-CG2 3.98Å; F60-T81 HydrophobicContact CE1-CG2 4.45Å; R61-T81 PolarHBondContact N-OG1 2.86Å; R61-T81 PolarHBondContact O-N 3.26Å; R61-T81 VanDerWaalsContact O-N 3.09Å; T81-I83 PolarHBondContact O-N 2.96Å; T81-H155 HydrophobicContact CG2-CB 4.04Å; T81-H155 WeakPolarHBondContact CG2-O 3.33Å; T81-A156 HydrophobicContact CG2-CB 3.87Å |
| 82 | K | 97.9 | Very high | 97.4 | Very high | 141 Ų | 141 | 47 Ų | 47 | 61% | 0.613 | 24% | 0.237 | S | C | * | . | trans | -61 | 136.9 | 175.3 | -67.9 | -174 | -178.1 | 179 | 0 | 110.3 | H155 | K82-H155 HydrophobicContact CB-CB 4.28Š| ||
| 83 | I | 98.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | trans | -145.2 | 140.5 | -176.2 | -170.1 | 176.2 | 0 | 0 | 0 | 110.6 | F55 F60 F79 T81 H85 V88 L120 | F55-I83 HydrophobicContact CD1-CD1 3.88Å; F55-I83 HydrophobicContact CD1-CG1 4.03Å; F55-I83 HydrophobicContact CE1-CD1 3.69Å; F55-I83 HydrophobicContact CE1-CG1 3.64Å; F55-I83 HydrophobicContact CZ-CD1 4.27Å; F55-I83 HydrophobicContact CZ-CG1 4.49Å; F60-I83 HydrophobicContact CD1-CB 4.24Å; F60-I83 HydrophobicContact CD1-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CG1 4.2Å; F60-I83 HydrophobicContact CE1-CB 4.09Å; F60-I83 HydrophobicContact CE1-CD1 3.69Å; F60-I83 HydrophobicContact CE1-CG1 3.75Å; F60-I83 HydrophobicContact CZ-CD1 4.36Å; F79-I83 HydrophobicContact CB-CG2 4.15Å; F79-I83 HydrophobicContact CD2-CG2 3.99Å; F79-I83 HydrophobicContact CG-CG2 4.02Å; F79-I83 HydrophobicContact CZ-CD1 4.46Å; T81-I83 PolarHBondContact O-N 2.96Å; I83-H85 HydrophobicContact CD1-CB 4.12Å; I83-H85 HydrophobicContact CG1-CB 4.06Å; I83-H85 HydrophobicContact CG2-CB 4.4Å; I83-V88 HydrophobicContact CG2-CB 4.06Å; I83-V88 HydrophobicContact CG2-CG1 3.73Å; I83-V88 HydrophobicContact CG2-CG2 4.06Å; I83-L120 HydrophobicContact CD1-CD2 3.64Å | ||
| 84 | F | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | trans | -96.6 | 94.5 | 174.3 | -170.4 | -109.7 | 0 | 0 | 0 | 108.3 | E132 A133 L136 Y144 R147 A148 L151 | F84-E132 HydrophobicContact CZ-CG 4.36Å; F84-A133 HydrophobicContact CD1-CB 4.15Å; F84-A133 HydrophobicContact CD2-CB 4.36Å; F84-A133 HydrophobicContact CE1-CB 3.74Å; F84-A133 HydrophobicContact CE2-CB 3.96Å; F84-A133 HydrophobicContact CG-CB 4.44Å; F84-A133 HydrophobicContact CZ-CB 3.63Å; F84-L136 HydrophobicContact CE1-CD1 4.19Å; F84-L136 HydrophobicContact CZ-CD1 4.04Å; F84-Y144 HydrophobicContact CD1-CD2 4.16Å; F84-Y144 HydrophobicContact CD1-CE2 4.34Å; F84-Y144 AromaticContact CE1-CD2 4Å; F84-Y144 HydrophobicContact CE1-CD2 4Å; F84-R147 HydrophobicContact CD1-CB 3.8Å; F84-R147 HydrophobicContact CE1-CB 3.85Å; F84-R147 HydrophobicContact CG-CB 4.4Å; F84-A148 HydrophobicContact CB-CB 4.39Å; F84-A148 HydrophobicContact CD1-CB 4.28Å; F84-L151 HydrophobicContact CB-CB 4.38Å; F84-L151 HydrophobicContact CB-CD2 3.83Å | ||
| 85 | H | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -144.5 | 135.6 | -172.1 | -175 | -75.3 | 0 | 0 | 0 | 111 | F55 I83 N87 V88 L119 | F55-H85 AromaticContact CE2-CD2 3.93Å; F55-H85 HydrophobicContact CZ-CB 4.39Å; F55-H85 AromaticContact CZ-CD2 3.66Å; I83-H85 HydrophobicContact CD1-CB 4.12Å; I83-H85 HydrophobicContact CG1-CB 4.06Å; I83-H85 HydrophobicContact CG2-CB 4.4Å; H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact CE1-OD1 3.31Å; H85-N87 PolarHBondContact ND1-N 3.47Å; H85-N87 PolarHBondContact O-N 2.84Å; H85-V88 HydrophobicContact CB-CB 4.11Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.55Å; H85-V88 VanDerWaalsContact O-N 3.13Å; H85-L119 PolarHBondContact NE2-O 3.02Å; H85-L119 VanDerWaalsContact NE2-O 3.1Å | ||
| 86 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -46.3 | -177.1 | -27.4 | 33.6 | 0 | 0 | 0 | 113.7 | V88 P123 A128 L129 N130 A133 L137 Y144 | P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.78Å; P86-P123 HydrophobicContact CB-CB 4.37Å; P86-P123 HydrophobicContact CG-CB 3.79Å; P86-P123 HydrophobicContact CG-CG 4.5Å; P86-A128 HydrophobicContact CB-CB 4.18Å; P86-A128 CarbonylContact O-C 3.59Å; P86-A128 VanDerWaalsContact O-CA 3.22Å; P86-A128 WeakPolarHBondContact O-CA 3.36Å; P86-L129 PolarHBondContact O-N 3.33Å; P86-N130 PolarHBondContact O-N 2.68Å; P86-A133 HydrophobicContact CG-CB 4.19Å; P86-L137 HydrophobicContact CG-CB 4.42Å; P86-L137 HydrophobicContact CG-CD2 4.06Å; P86-Y144 HydrophobicContact CG-CE2 4.44Å |
| 87 | N | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 11.9 | -176.2 | -53.2 | 107 | 0 | 0 | 0 | 115.2 | H85 C95 V98 L119 N124 S127 | H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact CE1-OD1 3.31Å; H85-N87 PolarHBondContact ND1-N 3.47Å; H85-N87 PolarHBondContact O-N 2.84Å; N87-C95 HydrophobicContact CB-CB 4.11Å; N87-C95 PolarHBondContact O-N 3.44Å; N87-V98 HydrophobicContact CB-CG2 4.28Å; N87-L119 HydrophobicContact CB-CD2 3.8Å; N87-L119 HydrophobicContact CB-CG 4.43Å; N87-N124 PolarHBondContact ND2-O 3.48Å; N87-N124 PolarHBondContact OD1-N 2.97Å; N87-S127 PolarHBondContact ND2-O 3.3Å; N87-S127 PolarHBondContact ND2-OG 3.19Å |
| 88 | V | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -116.8 | 123.8 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | F79 I83 H85 P86 E93 I94 N130 | F79-V88 HydrophobicContact CD2-CB 4.5Å; F79-V88 HydrophobicContact CD2-CG1 4.01Å; F79-V88 HydrophobicContact CD2-CG2 3.6Å; F79-V88 HydrophobicContact CE2-CG2 3.71Å; I83-V88 HydrophobicContact CG2-CB 4.06Å; I83-V88 HydrophobicContact CG2-CG1 3.73Å; I83-V88 HydrophobicContact CG2-CG2 4.06Å; H85-V88 HydrophobicContact CB-CB 4.11Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.55Å; H85-V88 VanDerWaalsContact O-N 3.13Å; P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.78Å; V88-E93 CarbonylContact C-O 3.49Å; V88-E93 WeakPolarHBondContact CA-O 3.46Å; V88-I94 HydrophobicContact CG2-CG1 4.38Å; V88-N130 WeakPolarHBondContact O-CB 3.44Å |
| 89 | G | 97.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | -78.7 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K91 G92 E93 | G89-K91 VanDerWaalsContact C-N 3.25Å; G89-K91 PolarHBondContact O-N 2.91Å; G89-G92 PolarHBondContact O-N 3.4Å; G89-E93 WeakPolarHBondContact CA-OE1 3.36Å; G89-E93 PolarHBondContact N-O 2.84Å | ||
| 90 | H | 94.9 | Very high | 96.3 | Very high | 172 Ų | 172 | 48.4 Ų | 48.4 | 80% | 0.796 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.7 | -169.3 | -65.3 | 39.2 | 0 | 0 | 0 | 113 | G92 | H90-G92 VanDerWaalsContact C-N 3.32Š|
| 91 | K | 95.9 | Very high | 95.8 | Very high | 185 Ų | 185 | 51 Ų | 51 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 12.5 | 175.5 | -54.5 | 178.1 | 179.9 | 178.4 | 0 | 111.7 | G89 E93 | G89-K91 VanDerWaalsContact C-N 3.25Å; G89-K91 PolarHBondContact O-N 2.91Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 VanDerWaalsContact C-OE2 3.25Å; K91-E93 VanDerWaalsContact CA-OE2 3.26Å; K91-E93 WeakPolarHBondContact CA-OE2 3.41Å; K91-E93 VanDerWaalsContact CB-OE2 3.25Å; K91-E93 WeakPolarHBondContact CB-OE2 3.35Å; K91-E93 PolarHBondContact N-OE2 3.33Å |
| 92 | G | 97.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 83.5 | 0.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y78 F79 G89 H90 I94 | Y78-G92 CarbonylContact C-O 3.56Å; Y78-G92 VanDerWaalsContact CA-O 3.25Å; Y78-G92 WeakPolarHBondContact CA-O 3.47Å; F79-G92 PolarHBondContact N-O 2.9Å; F79-G92 WeakPolarHBondContact O-CA 3.49Å; G89-G92 PolarHBondContact O-N 3.4Å; H90-G92 VanDerWaalsContact C-N 3.32Å; G92-I94 PolarHBondContact O-N 3.24Å |
| 93 | E | 98.1 | Very high | 95.1 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -61.7 | 130.9 | 179.2 | 70.6 | -77.7 | -167.1 | 0 | 0 | 111.8 | Y78 V88 G89 K91 L129 | Y78-E93 HydrophobicContact CD1-CB 3.72Å; Y78-E93 HydrophobicContact CE1-CB 3.57Å; V88-E93 CarbonylContact C-O 3.49Å; V88-E93 WeakPolarHBondContact CA-O 3.46Å; G89-E93 WeakPolarHBondContact CA-OE1 3.36Å; G89-E93 PolarHBondContact N-O 2.84Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 VanDerWaalsContact C-OE2 3.25Å; K91-E93 VanDerWaalsContact CA-OE2 3.26Å; K91-E93 WeakPolarHBondContact CA-OE2 3.41Å; K91-E93 VanDerWaalsContact CB-OE2 3.25Å; K91-E93 WeakPolarHBondContact CB-OE2 3.35Å; K91-E93 PolarHBondContact N-OE2 3.33Å; E93-L129 HydrophobicContact CG-CD1 4.13Å |
| 94 | I | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 136.3 | 177.5 | -62.6 | 169.8 | 0 | 0 | 0 | 108.6 | M62 G77 F79 V88 G92 V96 L99 I116 L119 | M62-I94 HydrophobicContact CE-CD1 3.35Å; G77-I94 PolarHBondContact O-N 3.09Å; F79-I94 HydrophobicContact CD2-CD1 3.83Å; F79-I94 HydrophobicContact CD2-CG1 3.8Å; F79-I94 HydrophobicContact CE2-CD1 3.63Å; F79-I94 HydrophobicContact CE2-CG1 3.87Å; F79-I94 HydrophobicContact CZ-CD1 4.36Å; V88-I94 HydrophobicContact CG2-CG1 4.38Å; G92-I94 PolarHBondContact O-N 3.24Å; I94-V96 PolarHBondContact O-N 2.99Å; I94-V96 VanDerWaalsContact O-N 3.09Å; I94-L99 HydrophobicContact CG2-CD1 4.49Å; I94-L99 HydrophobicContact CG2-CG 4.39Å; I94-I116 HydrophobicContact CD1-CD1 4.16Å; I94-I116 HydrophobicContact CD1-CG1 4.11Å; I94-I116 HydrophobicContact CD1-CG2 4.03Å; I94-L119 HydrophobicContact CG2-CD2 4.24Å |
| 95 | C | 96.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 116.8 | 179 | -172 | 0 | 0 | 0 | 0 | 112.1 | N87 N97 V98 S127 L129 | N87-C95 HydrophobicContact CB-CB 4.11Å; N87-C95 PolarHBondContact O-N 3.44Å; C95-N97 PolarHBondContact O-N 2.99Å; C95-V98 HydrophobicContact CB-CG2 4.01Å; C95-V98 WeakPolarHBondContact O-CB 3.5Å; C95-V98 PolarHBondContact O-N 2.66Å; C95-S127 PolarHBondContact SG-O 3.2Å; C95-S127 VanDerWaalsContact SG-O 3.39Å; C95-L129 HydrophobicContact CB-CD1 3.91Å; C95-L129 HydrophobicContact CB-CG 3.95Å |
| 96 | V | 90.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -29.1 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | I94 V98 L99 K100 | I94-V96 PolarHBondContact O-N 2.99Å; I94-V96 VanDerWaalsContact O-N 3.09Å; V96-V98 PolarHBondContact O-N 3.27Å; V96-L99 PolarHBondContact O-N 3.38Å; V96-K100 HydrophobicContact CG1-CD 3.73Å; V96-K100 VanDerWaalsContact CG1-CE 3.47Å; V96-K100 HydrophobicContact CG1-CG 3.85Å; V96-K100 WeakPolarHBondContact O-CB 3.39Å; V96-K100 WeakPolarHBondContact O-CG 3.29Å; V96-K100 PolarHBondContact O-N 2.83Å |
| 97 | N | 91.4 | Very high | 94 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.6 | -31.4 | 177.1 | -68.4 | -8.7 | 0 | 0 | 0 | 112 | C95 R101 | C95-N97 PolarHBondContact O-N 2.99Å; N97-R101 WeakPolarHBondContact O-CB 3.24Å; N97-R101 PolarHBondContact O-N 2.85Å; N97-R101 VanDerWaalsContact O-N 3.16Å |
| 98 | V | 90.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -46 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | N87 C95 V96 T115 L119 | N87-V98 HydrophobicContact CB-CG2 4.28Å; C95-V98 HydrophobicContact CB-CG2 4.01Å; C95-V98 WeakPolarHBondContact O-CB 3.5Å; C95-V98 PolarHBondContact O-N 2.66Å; V96-V98 PolarHBondContact O-N 3.27Å; V98-T115 HydrophobicContact CG1-CG2 4.4Å; V98-L119 HydrophobicContact CB-CD2 4.44Å; V98-L119 HydrophobicContact CG1-CD1 3.7Å; V98-L119 HydrophobicContact CG1-CD2 3.83Å; V98-L119 HydrophobicContact CG1-CG 4.29Å; V98-L119 HydrophobicContact CG2-CD1 4.17Å; V98-L119 HydrophobicContact CG2-CD2 4.37Å |
| 99 | L | 91.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.6 | -26.1 | -178.4 | -59.1 | -175.4 | 0 | 0 | 0 | 113.2 | P74 P75 I94 V96 V112 T115 I116 | P74-L99 HydrophobicContact CB-CB 4.22Å; P74-L99 HydrophobicContact CG-CB 4.2Å; P75-L99 WeakPolarHBondContact O-CD1 3.28Å; I94-L99 HydrophobicContact CG2-CD1 4.49Å; I94-L99 HydrophobicContact CG2-CG 4.39Å; V96-L99 PolarHBondContact O-N 3.38Å; L99-V112 HydrophobicContact CD2-CG1 4.23Å; L99-T115 HydrophobicContact CD2-CG2 4.4Å; L99-I116 HydrophobicContact CD2-CD1 4.34Å; L99-I116 HydrophobicContact CD2-CG1 3.89Å |
| 100 | K | 92.1 | Very high | 93.6 | Very high | 110 Ų | 110 | 72.5 Ų | 72.5 | 48% | 0.478 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.2 | -26.3 | 176.4 | -79.6 | -176.2 | 175.2 | 179.7 | 0 | 113.1 | P74 V96 D102 W103 | P74-K100 HydrophobicContact CG-CG 3.75Å; V96-K100 HydrophobicContact CG1-CD 3.73Å; V96-K100 VanDerWaalsContact CG1-CE 3.47Å; V96-K100 HydrophobicContact CG1-CG 3.85Å; V96-K100 WeakPolarHBondContact O-CB 3.39Å; V96-K100 WeakPolarHBondContact O-CG 3.29Å; V96-K100 PolarHBondContact O-N 2.83Å; K100-D102 PolarHBondContact O-N 2.94Å; K100-D102 VanDerWaalsContact O-N 3.13Å; K100-W103 PolarHBondContact O-N 3.37Å; K100-W103 VanDerWaalsContact O-N 3.15Å |
| 101 | R | 89.3 | Confident | 93.6 | Very high | 141 Ų | 141 | 67.2 Ų | 67.2 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 118.2 | -179.9 | -170.7 | 171.7 | 65.9 | -171.4 | 0.6 | 108.3 | N97 W103 | N97-R101 WeakPolarHBondContact O-CB 3.24Å; N97-R101 PolarHBondContact O-N 2.85Å; N97-R101 VanDerWaalsContact O-N 3.16Å; R101-W103 PolarHBondContact O-N 3.08Å |
| 102 | D | 86.3 | Confident | 93.7 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 68% | 0.684 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 14.1 | -178.1 | -49.5 | -49.9 | 0 | 0 | 0 | 115.8 | K100 K104 L107 | K100-D102 PolarHBondContact O-N 2.94Å; K100-D102 VanDerWaalsContact O-N 3.13Å; D102-K104 PolarHBondContact O-N 2.87Å; D102-L107 VanDerWaalsContact O-CD1 3.28Å; D102-L107 WeakPolarHBondContact O-CD1 3.35Å |
| 103 | W | 94.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 58 Ų | 58 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | trans | -64 | 132.3 | 174.3 | 177.1 | -104 | 0 | 0 | 0 | 111.5 | F70 P71 P74 K100 R101 L107 V112 | F70-W103 HydrophobicContact CE2-CH2 4.2Å; F70-W103 HydrophobicContact CE2-CZ2 4.05Å; P71-W103 HydrophobicContact CB-CZ2 4.49Å; P71-W103 WeakPolarHBondContact O-CZ2 3.2Å; P71-W103 PolarHBondContact O-NE1 2.83Å; P74-W103 HydrophobicContact CB-CD2 3.69Å; P74-W103 HydrophobicContact CB-CE3 4.05Å; P74-W103 HydrophobicContact CB-CG 3.92Å; P74-W103 HydrophobicContact CB-CZ2 4.45Å; P74-W103 VanDerWaalsContact CD-CD1 3.49Å; P74-W103 HydrophobicContact CG-CB 4.45Å; P74-W103 HydrophobicContact CG-CD2 4.42Å; P74-W103 HydrophobicContact CG-CG 4.12Å; K100-W103 PolarHBondContact O-N 3.37Å; K100-W103 VanDerWaalsContact O-N 3.15Å; R101-W103 PolarHBondContact O-N 3.08Å; W103-L107 HydrophobicContact CE3-CB 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.44Å; W103-L107 HydrophobicContact CZ3-CB 4.02Å; W103-V112 HydrophobicContact CE3-CG2 4.16Å; W103-V112 HydrophobicContact CH2-CG2 4.04Å; W103-V112 HydrophobicContact CZ3-CG2 3.45Å; W103-V112 VanDerWaalsContact CZ3-CG2 3.45Å | ||
| 104 | K | 94.3 | Very high | 93.6 | Very high | 127 Ų | 127 | 58.6 Ų | 58.6 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | trans | -130.9 | 146.3 | 166.7 | -56.2 | 178.2 | -178.4 | 177.1 | 0 | 108.3 | D102 E106 L107 | D102-K104 PolarHBondContact O-N 2.87Å; K104-E106 PolarHBondContact O-N 2.9Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CB-CG 4.09Å; K104-L107 HydrophobicContact CG-CD1 4.49Å; K104-L107 WeakPolarHBondContact O-CB 2.99Å; K104-L107 PolarHBondContact O-N 3.4Å | ||
| 105 | A | 91.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 60 Ų | 60 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P71 | P71-A105 HydrophobicContact CB-CB 4.09Å; P71-A105 HydrophobicContact CG-CB 4.06Å; P71-A105 WeakPolarHBondContact O-CA 3.5Å |
| 106 | E | 93.4 | Very high | 93.7 | Very high | 165 Ų | 165 | 59.6 Ų | 59.6 | 77% | 0.771 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -15 | 177.6 | -51.1 | 109.1 | -148.2 | 0 | 0 | 114.7 | K104 | K104-E106 PolarHBondContact O-N 2.9Š|
| 107 | L | 91.5 | Very high | 94 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -76 | -26.6 | -169.3 | -66.4 | 175.3 | 0 | 0 | 0 | 114.1 | D102 W103 K104 H111 | D102-L107 VanDerWaalsContact O-CD1 3.28Å; D102-L107 WeakPolarHBondContact O-CD1 3.35Å; W103-L107 HydrophobicContact CE3-CB 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.44Å; W103-L107 HydrophobicContact CZ3-CB 4.02Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CB-CG 4.09Å; K104-L107 HydrophobicContact CG-CD1 4.49Å; K104-L107 WeakPolarHBondContact O-CB 2.99Å; K104-L107 PolarHBondContact O-N 3.4Å; L107-H111 HydrophobicContact CB-CB 3.73Å; L107-H111 VanDerWaalsContact O-CB 3.22Å; L107-H111 WeakPolarHBondContact O-CB 3.33Å |
| 108 | G | 93.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | 68.8 | -178.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E19 H111 V112 | E19-G108 VanDerWaalsContact OE1-C 3.31Å; E19-G108 VanDerWaalsContact OE1-CA 3.26Å; E19-G108 WeakPolarHBondContact OE1-CA 3.24Å; G108-H111 PolarHBondContact O-N 2.88Å; G108-V112 PolarHBondContact O-N 2.76Å |
| 109 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -32.2 | -180 | -63.1 | 169.9 | 0 | 0 | 0 | 112.7 | V16 E19 V20 L23 L43 L64 F70 P75 H111 V112 L113 | V16-L109 HydrophobicContact CG1-CD1 4.41Å; E19-L109 HydrophobicContact CG-CB 4.45Å; E19-L109 PolarHBondContact OE1-N 2.89Å; E19-L109 WeakPolarHBondContact OE2-CG 3.45Å; E19-L109 PolarHBondContact OE2-N 3.4Å; E19-L109 VanDerWaalsContact OE2-N 3.15Å; V20-L109 HydrophobicContact CG2-CD1 3.8Å; L23-L109 HydrophobicContact CD1-CB 3.84Å; L43-L109 HydrophobicContact CD2-CD1 4.27Å; L64-L109 HydrophobicContact CD1-CD2 4.11Å; F70-L109 HydrophobicContact CE2-CD2 4.47Å; P75-L109 HydrophobicContact CG-CD2 4.08Å; L109-H111 VanDerWaalsContact C-N 3.3Å; L109-H111 PolarHBondContact O-N 2.81Å; L109-V112 PolarHBondContact O-N 3.23Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å |
| 110 | R | 96.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 175.8 | -174.5 | 175 | -71.7 | -92.7 | 1 | 111.2 | E19 L23 D26 P28 L113 L114 | E19-R110 PolarHBondContact OE1-N 2.86Å; L23-R110 HydrophobicContact CD2-CB 3.86Å; L23-R110 HydrophobicContact CD2-CG 4.06Å; D26-R110 PolarHBondContact O-NH2 3.35Å; D26-R110 IonicContact OD2-NH2 3.78Å; P28-R110 HydrophobicContact CG-CG 4.24Å; R110-L113 PolarHBondContact O-N 3.1Å; R110-L114 HydrophobicContact CG-CD1 4.21Å; R110-L114 WeakPolarHBondContact O-CG 3.35Å; R110-L114 PolarHBondContact O-N 2.75Å; R110-L114 VanDerWaalsContact O-N 3.09Å |
| 111 | H | 96.3 | Very high | 95.2 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 179.7 | 176.1 | 78.3 | 0 | 0 | 0 | 111.3 | L107 G108 L109 L113 L114 T115 | L107-H111 HydrophobicContact CB-CB 3.73Å; L107-H111 VanDerWaalsContact O-CB 3.22Å; L107-H111 WeakPolarHBondContact O-CB 3.33Å; G108-H111 PolarHBondContact O-N 2.88Å; L109-H111 VanDerWaalsContact C-N 3.3Å; L109-H111 PolarHBondContact O-N 2.81Å; H111-L113 PolarHBondContact O-N 3.37Å; H111-L114 PolarHBondContact O-N 2.83Å; H111-T115 PolarHBondContact NE2-OG1 3.19Å; H111-T115 WeakPolarHBondContact O-CB 3.32Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.88Å; H111-T115 VanDerWaalsContact O-OG1 3.07Å |
| 112 | V | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.4 | -48.6 | 177.9 | 176 | 0 | 0 | 0 | 0 | 111.3 | L64 P75 L99 W103 G108 L109 L114 T115 I116 | L64-V112 HydrophobicContact CD1-CB 4.39Å; L64-V112 HydrophobicContact CD1-CG1 3.87Å; L64-V112 HydrophobicContact CD2-CG1 4.05Å; P75-V112 HydrophobicContact CG-CB 4.48Å; P75-V112 HydrophobicContact CG-CG1 4.06Å; P75-V112 HydrophobicContact CG-CG2 3.95Å; L99-V112 HydrophobicContact CD2-CG1 4.23Å; W103-V112 HydrophobicContact CE3-CG2 4.16Å; W103-V112 HydrophobicContact CH2-CG2 4.04Å; W103-V112 HydrophobicContact CZ3-CG2 3.45Å; W103-V112 VanDerWaalsContact CZ3-CG2 3.45Å; G108-V112 PolarHBondContact O-N 2.76Å; L109-V112 PolarHBondContact O-N 3.23Å; V112-L114 PolarHBondContact O-N 2.98Å; V112-T115 PolarHBondContact O-N 3.09Å; V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.46Å; V112-I116 WeakPolarHBondContact O-CG1 3.49Å; V112-I116 PolarHBondContact O-N 3.25Å |
| 113 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | -179.7 | -68.2 | 169.9 | 0 | 0 | 0 | 112.1 | L23 I31 I33 T45 L64 L109 R110 H111 I116 K117 | L23-L113 HydrophobicContact CD1-CD1 4.39Å; I31-L113 HydrophobicContact CD1-CB 3.91Å; I31-L113 HydrophobicContact CG2-CD1 4.29Å; I33-L113 HydrophobicContact CD1-CD1 3.58Å; T45-L113 HydrophobicContact CG2-CD1 4.31Å; T45-L113 HydrophobicContact CG2-CD2 3.89Å; L64-L113 HydrophobicContact CD1-CD2 3.86Å; L64-L113 HydrophobicContact CD1-CG 4.16Å; L64-L113 HydrophobicContact CG-CD2 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å; R110-L113 PolarHBondContact O-N 3.1Å; H111-L113 PolarHBondContact O-N 3.37Å; L113-I116 PolarHBondContact O-N 3.21Å; L113-K117 PolarHBondContact O-N 3.17Å |
| 114 | L | 97.2 | Very high | 96 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175 | -70.9 | 175.9 | 0 | 0 | 0 | 112.1 | P28 R110 H111 V112 I116 K117 C118 | P28-L114 HydrophobicContact CB-CD2 3.95Å; R110-L114 HydrophobicContact CG-CD1 4.21Å; R110-L114 WeakPolarHBondContact O-CG 3.35Å; R110-L114 PolarHBondContact O-N 2.75Å; R110-L114 VanDerWaalsContact O-N 3.09Å; H111-L114 PolarHBondContact O-N 2.83Å; V112-L114 PolarHBondContact O-N 2.98Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.06Å; L114-K117 PolarHBondContact O-N 3.21Å; L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.04Å; L114-C118 PolarHBondContact O-SG 2.86Å; L114-C118 VanDerWaalsContact O-SG 3.32Å |
| 115 | T | 97.1 | Very high | 95.9 | Very high | 35 Ų | 35 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.6 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | V98 L99 H111 V112 C118 L119 | V98-T115 HydrophobicContact CG1-CG2 4.4Å; L99-T115 HydrophobicContact CD2-CG2 4.4Å; H111-T115 PolarHBondContact NE2-OG1 3.19Å; H111-T115 WeakPolarHBondContact O-CB 3.32Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.88Å; H111-T115 VanDerWaalsContact O-OG1 3.07Å; V112-T115 PolarHBondContact O-N 3.09Å; T115-C118 PolarHBondContact O-N 2.85Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 PolarHBondContact O-N 2.65Å |
| 116 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.3 | -65 | 154.3 | 0 | 0 | 0 | 111.2 | I47 M62 L64 F79 I94 L99 V112 L113 L114 C118 L119 L120 | I47-I116 HydrophobicContact CD1-CB 4.28Å; I47-I116 HydrophobicContact CD1-CG2 3.85Å; M62-I116 HydrophobicContact CE-CD1 3.66Å; M62-I116 HydrophobicContact CE-CG2 4.29Å; M62-I116 HydrophobicContact SD-CD1 4.06Å; M62-I116 HydrophobicContact SD-CG2 3.99Å; L64-I116 HydrophobicContact CD2-CD1 3.91Å; F79-I116 HydrophobicContact CE2-CG2 4.29Å; F79-I116 HydrophobicContact CZ-CG2 3.81Å; I94-I116 HydrophobicContact CD1-CD1 4.16Å; I94-I116 HydrophobicContact CD1-CG1 4.11Å; I94-I116 HydrophobicContact CD1-CG2 4.03Å; L99-I116 HydrophobicContact CD2-CD1 4.34Å; L99-I116 HydrophobicContact CD2-CG1 3.89Å; V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.46Å; V112-I116 WeakPolarHBondContact O-CG1 3.49Å; V112-I116 PolarHBondContact O-N 3.25Å; L113-I116 PolarHBondContact O-N 3.21Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.06Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.33Å; I116-L119 VanDerWaalsContact O-CB 3.26Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 3.08Å; I116-L119 VanDerWaalsContact O-N 3.09Å; I116-L120 PolarHBondContact O-N 3.07Å |
| 117 | K | 97.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 174.8 | -172.4 | 179.1 | -177.4 | -177.8 | 0 | 111.3 | E29 I31 I47 P50 L113 L114 L119 L120 | E29-K117 PolarHBondContact O-NZ 3.32Å; I31-K117 HydrophobicContact CD1-CB 4.46Å; I31-K117 HydrophobicContact CD1-CD 4.4Å; I31-K117 HydrophobicContact CG1-CD 4.47Å; I47-K117 HydrophobicContact CG2-CB 4.26Å; I47-K117 HydrophobicContact CG2-CG 4.13Å; P50-K117 HydrophobicContact CG-CG 4.07Å; L113-K117 PolarHBondContact O-N 3.17Å; L114-K117 PolarHBondContact O-N 3.21Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.39Å; K117-L120 WeakPolarHBondContact O-CB 3.33Å; K117-L120 PolarHBondContact O-N 3.5Å |
| 118 | C | 97.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 48% | 0.48 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.8 | -32.9 | 175 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | L114 T115 I116 L120 I121 H122 | L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.04Å; L114-C118 PolarHBondContact O-SG 2.86Å; L114-C118 VanDerWaalsContact O-SG 3.32Å; T115-C118 PolarHBondContact O-N 2.85Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.33Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 3.06Å; C118-I121 WeakPolarHBondContact O-CB 3.22Å; C118-I121 PolarHBondContact O-N 3.35Å; C118-I121 VanDerWaalsContact O-N 3.08Å; C118-H122 PolarHBondContact O-N 3.26Å |
| 119 | L | 97.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -33.7 | 177.1 | -164.6 | 65 | 0 | 0 | 0 | 112.2 | H85 N87 I94 V98 T115 I116 K117 I121 H122 P123 | H85-L119 PolarHBondContact NE2-O 3.02Å; H85-L119 VanDerWaalsContact NE2-O 3.1Å; N87-L119 HydrophobicContact CB-CD2 3.8Å; N87-L119 HydrophobicContact CB-CG 4.43Å; I94-L119 HydrophobicContact CG2-CD2 4.24Å; V98-L119 HydrophobicContact CB-CD2 4.44Å; V98-L119 HydrophobicContact CG1-CD1 3.7Å; V98-L119 HydrophobicContact CG1-CD2 3.83Å; V98-L119 HydrophobicContact CG1-CG 4.29Å; V98-L119 HydrophobicContact CG2-CD1 4.17Å; V98-L119 HydrophobicContact CG2-CD2 4.37Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 PolarHBondContact O-N 2.65Å; I116-L119 VanDerWaalsContact O-CB 3.26Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 3.08Å; I116-L119 VanDerWaalsContact O-N 3.09Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.39Å; L119-I121 PolarHBondContact O-N 3.14Å; L119-H122 CarbonylContact O-C 3.42Å; L119-H122 VanDerWaalsContact O-C 3.25Å; L119-H122 PolarHBondContact O-N 2.75Å; L119-P123 VanDerWaalsContact O-N 3.17Å |
| 120 | L | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -26.2 | 173.4 | -60.9 | -178.4 | 0 | 0 | 0 | 112.7 | I47 P50 F55 F79 I83 I116 K117 C118 | I47-L120 HydrophobicContact CG2-CD1 4.16Å; P50-L120 HydrophobicContact CG-CB 4.17Å; F55-L120 HydrophobicContact CD2-CB 3.91Å; F55-L120 HydrophobicContact CD2-CD2 4.18Å; F55-L120 WeakPolarHBondContact CD2-O 3.25Å; F55-L120 HydrophobicContact CE2-CB 4.28Å; F55-L120 HydrophobicContact CE2-CD2 4.22Å; F55-L120 VanDerWaalsContact CE2-O 3.28Å; F55-L120 WeakPolarHBondContact CE2-O 3.49Å; F79-L120 HydrophobicContact CZ-CD2 4.05Å; I83-L120 HydrophobicContact CD1-CD2 3.64Å; I116-L120 PolarHBondContact O-N 3.07Å; K117-L120 WeakPolarHBondContact O-CB 3.33Å; K117-L120 PolarHBondContact O-N 3.5Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 3.06Å |
| 121 | I | 98.1 | Very high | 96.5 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -85 | -42.3 | 176.6 | -50.5 | 174.5 | 0 | 0 | 0 | 110.2 | P50 T53 C118 L119 | P50-I121 HydrophobicContact CB-CD1 4.09Å; P50-I121 HydrophobicContact CB-CG1 3.73Å; P50-I121 HydrophobicContact CG-CD1 4.19Å; P50-I121 HydrophobicContact CG-CG1 3.71Å; T53-I121 HydrophobicContact CG2-CB 4.41Å; T53-I121 HydrophobicContact CG2-CG1 4.25Å; T53-I121 HydrophobicContact CG2-CG2 4.46Å; C118-I121 WeakPolarHBondContact O-CB 3.22Å; C118-I121 PolarHBondContact O-N 3.35Å; C118-I121 VanDerWaalsContact O-N 3.08Å; L119-I121 PolarHBondContact O-N 3.14Å |
| 122 | H | 97 | Very high | 96.6 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 67% | 0.667 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -131.2 | 83.3 | -174.4 | -60.5 | -46.3 | 0 | 0 | 0 | 110.9 | C118 L119 | C118-H122 PolarHBondContact O-N 3.26Å; L119-H122 CarbonylContact O-C 3.42Å; L119-H122 VanDerWaalsContact O-C 3.25Å; L119-H122 PolarHBondContact O-N 2.75Å |
| 123 | P | 97 | Very high | 96.7 | Very high | 25 Ų | 25 | 53 Ų | 53 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | trans | -61.3 | 150.9 | 175.2 | -20.2 | 31.4 | 0 | 0 | 0 | 111.5 | P86 L119 P125 L137 | P86-P123 HydrophobicContact CB-CB 4.37Å; P86-P123 HydrophobicContact CG-CB 3.79Å; P86-P123 HydrophobicContact CG-CG 4.5Å; L119-P123 VanDerWaalsContact O-N 3.17Å; P123-P125 WeakPolarHBondContact O-CD 3.37Å; P123-L137 HydrophobicContact CB-CD2 3.87Å; P123-L137 HydrophobicContact CG-CD1 4.43Å; P123-L137 HydrophobicContact CG-CD2 4.32Å | ||
| 124 | N | 94.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -105.3 | 98.2 | 177.4 | -177.4 | 9.2 | 0 | 0 | 0 | 111.6 | N87 E126 S127 | N87-N124 PolarHBondContact ND2-O 3.48Å; N87-N124 PolarHBondContact OD1-N 2.97Å; N124-E126 PolarHBondContact O-N 3.09Å; N124-E126 PolarHBondContact OD1-N 3.13Å; N124-S127 PolarHBondContact ND2-OG 3.43Å; N124-S127 VanDerWaalsContact ND2-OG 3.07Å; N124-S127 PolarHBondContact O-N 2.79Å; N124-S127 PolarHBondContact O-OG 3.03Å | ||
| 125 | P | 92.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -64.2 | -25.5 | -177 | 25.6 | -33.7 | 0 | 0 | 0 | 113.8 | P123 S127 A128 L137 L138 | P123-P125 WeakPolarHBondContact O-CD 3.37Å; P125-S127 PolarHBondContact O-N 2.78Å; P125-A128 PolarHBondContact O-N 3.26Å; P125-L137 HydrophobicContact CB-CD2 4.42Å; P125-L138 HydrophobicContact CB-CD1 3.88Å; P125-L138 HydrophobicContact CB-CD2 4.13Å; P125-L138 HydrophobicContact CB-CG 4Å; P125-L138 HydrophobicContact CG-CD1 4.45Å; P125-L138 HydrophobicContact CG-CD2 3.96Å; P125-L138 HydrophobicContact CG-CG 4.39Å |
| 126 | E | 91.6 | Very high | 96.8 | Very high | 180 Ų | 180 | 53.7 Ų | 53.7 | 84% | 0.841 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.3 | 179.5 | -60 | -175.9 | 164.5 | 0 | 0 | 113.4 | N124 | N124-E126 PolarHBondContact O-N 3.09Å; N124-E126 PolarHBondContact OD1-N 3.13Å |
| 127 | S | 93.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -127.2 | 34.2 | -179.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | N87 C95 N124 P125 L129 | N87-S127 PolarHBondContact ND2-O 3.3Å; N87-S127 PolarHBondContact ND2-OG 3.19Å; C95-S127 PolarHBondContact SG-O 3.2Å; C95-S127 VanDerWaalsContact SG-O 3.39Å; N124-S127 PolarHBondContact ND2-OG 3.43Å; N124-S127 VanDerWaalsContact ND2-OG 3.07Å; N124-S127 PolarHBondContact O-N 2.79Å; N124-S127 PolarHBondContact O-OG 3.03Å; P125-S127 PolarHBondContact O-N 2.78Å; S127-L129 PolarHBondContact O-N 3.13Å |
| 128 | A | 96.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | trans | -64.1 | 125.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P86 P125 | P86-A128 HydrophobicContact CB-CB 4.18Å; P86-A128 CarbonylContact O-C 3.59Å; P86-A128 VanDerWaalsContact O-CA 3.22Å; P86-A128 WeakPolarHBondContact O-CA 3.36Å; P125-A128 PolarHBondContact O-N 3.26Å | ||
| 129 | L | 97.8 | Very high | 96.8 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 37% | 0.372 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -91.8 | -27.9 | 166.6 | -63 | -177.2 | 0 | 0 | 0 | 111.3 | P86 E93 C95 S127 | P86-L129 PolarHBondContact O-N 3.33Å; E93-L129 HydrophobicContact CG-CD1 4.13Å; C95-L129 HydrophobicContact CB-CD1 3.91Å; C95-L129 HydrophobicContact CB-CG 3.95Å; S127-L129 PolarHBondContact O-N 3.13Å |
| 130 | N | 98.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -100.3 | 95 | 168.3 | -176.9 | -22.3 | 0 | 0 | 0 | 108.1 | P86 V88 E132 A133 G134 | P86-N130 PolarHBondContact O-N 2.68Å; V88-N130 WeakPolarHBondContact O-CB 3.44Å; N130-E132 VanDerWaalsContact C-N 3.26Å; N130-E132 PolarHBondContact O-N 3.43Å; N130-E132 PolarHBondContact OD1-N 2.92Å; N130-A133 HydrophobicContact CB-CB 4Å; N130-A133 PolarHBondContact O-N 2.75Å; N130-A133 PolarHBondContact OD1-N 3.36Å; N130-G134 PolarHBondContact O-N 2.84Å |
| 131 | E | 97.6 | Very high | 96.9 | Very high | 164 Ų | 164 | 70.5 Ų | 70.5 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.8 | -37 | -177.6 | -64.5 | -179.2 | 179.4 | 0 | 0 | 112.1 | G134 R135 | E131-G134 PolarHBondContact O-N 3.36Å; E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 3.03Å |
| 132 | E | 97.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -48.7 | 178.2 | -176 | 178.9 | -148.6 | 0 | 0 | 111.4 | F84 N130 G134 R135 L136 R147 | F84-E132 HydrophobicContact CZ-CG 4.36Å; N130-E132 VanDerWaalsContact C-N 3.26Å; N130-E132 PolarHBondContact O-N 3.43Å; N130-E132 PolarHBondContact OD1-N 2.92Å; E132-G134 VanDerWaalsContact C-N 3.29Å; E132-G134 PolarHBondContact O-N 3.39Å; E132-R135 PolarHBondContact O-N 3.05Å; E132-L136 HydrophobicContact CG-CD1 4.16Å; E132-L136 WeakPolarHBondContact O-CB 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.23Å; E132-R147 IonicContact OE1-CZ 3.71Å; E132-R147 IonicContact OE1-NH1 3.27Å; E132-R147 PolarHBondContact OE1-NH1 3.38Å; E132-R147 IonicContact OE2-NH1 2.65Å |
| 133 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F84 P86 N130 L137 | F84-A133 HydrophobicContact CD1-CB 4.15Å; F84-A133 HydrophobicContact CD2-CB 4.36Å; F84-A133 HydrophobicContact CE1-CB 3.74Å; F84-A133 HydrophobicContact CE2-CB 3.96Å; F84-A133 HydrophobicContact CG-CB 4.44Å; F84-A133 HydrophobicContact CZ-CB 3.63Å; P86-A133 HydrophobicContact CG-CB 4.19Å; N130-A133 HydrophobicContact CB-CB 4Å; N130-A133 PolarHBondContact O-N 2.75Å; N130-A133 PolarHBondContact OD1-N 3.36Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.46Å |
| 134 | G | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | N130 E131 E132 L138 | N130-G134 PolarHBondContact O-N 2.84Å; E131-G134 PolarHBondContact O-N 3.36Å; E132-G134 VanDerWaalsContact C-N 3.29Å; E132-G134 PolarHBondContact O-N 3.39Å; G134-L138 PolarHBondContact O-N 2.85Å |
| 135 | R | 98.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 176.5 | -173.1 | -170.3 | 63.9 | 75.2 | 3.5 | 111.3 | E131 E132 L137 L138 E139 | E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 3.03Å; E132-R135 PolarHBondContact O-N 3.05Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.87Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.13Å; R135-E139 WeakPolarHBondContact CD-OE2 3.2Å; R135-E139 HydrophobicContact CG-CG 4.23Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE2 3.39Å; R135-E139 IonicContact CZ-OE2 3.79Å; R135-E139 IonicContact NH1-OE2 2.8Å; R135-E139 PolarHBondContact NH1-OE2 2.99Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.09Å |
| 136 | L | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 178.6 | -69.6 | 175.1 | 0 | 0 | 0 | 111.4 | F84 E132 L138 E139 D140 Y141 E143 | F84-L136 HydrophobicContact CE1-CD1 4.19Å; F84-L136 HydrophobicContact CZ-CD1 4.04Å; E132-L136 HydrophobicContact CG-CD1 4.16Å; E132-L136 WeakPolarHBondContact O-CB 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.23Å; L136-L138 PolarHBondContact O-N 2.98Å; L136-L138 VanDerWaalsContact O-N 3.14Å; L136-E139 PolarHBondContact O-N 3.46Å; L136-D140 HydrophobicContact CD2-CB 4.27Å; L136-D140 CarbonylContact O-C 2.9Å; L136-D140 WeakPolarHBondContact O-CA 3.3Å; L136-D140 PolarHBondContact O-N 3.48Å; L136-Y141 PolarHBondContact O-N 3.31Å; L136-E143 HydrophobicContact CD1-CG 4.07Å; L136-E143 HydrophobicContact CD2-CB 4.2Å; L136-E143 HydrophobicContact CD2-CG 3.91Å |
| 137 | L | 98.2 | Very high | 97.9 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.9 | -37.4 | 176.1 | -177.6 | 76.5 | 0 | 0 | 0 | 112.7 | P86 P123 P125 A133 R135 Y141 Y144 | P86-L137 HydrophobicContact CG-CB 4.42Å; P86-L137 HydrophobicContact CG-CD2 4.06Å; P123-L137 HydrophobicContact CB-CD2 3.87Å; P123-L137 HydrophobicContact CG-CD1 4.43Å; P123-L137 HydrophobicContact CG-CD2 4.32Å; P125-L137 HydrophobicContact CB-CD2 4.42Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.87Å; L137-Y141 HydrophobicContact CD1-CD2 3.93Å; L137-Y141 HydrophobicContact CD1-CE2 3.88Å; L137-Y144 HydrophobicContact CB-CD2 4.47Å; L137-Y144 HydrophobicContact CB-CG 4.39Å; L137-Y144 HydrophobicContact CD1-CD1 3.69Å; L137-Y144 HydrophobicContact CD1-CE1 3.52Å; L137-Y144 HydrophobicContact CD1-CE2 4.5Å; L137-Y144 HydrophobicContact CD1-CG 4.24Å |
| 138 | L | 97.8 | Very high | 98.2 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 65% | 0.654 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -88 | -37.5 | -177.3 | -68.9 | 177.3 | 0 | 0 | 0 | 113.7 | P125 G134 R135 L136 | P125-L138 HydrophobicContact CB-CD1 3.88Å; P125-L138 HydrophobicContact CB-CD2 4.13Å; P125-L138 HydrophobicContact CB-CG 4Å; P125-L138 HydrophobicContact CG-CD1 4.45Å; P125-L138 HydrophobicContact CG-CD2 3.96Å; P125-L138 HydrophobicContact CG-CG 4.39Å; G134-L138 PolarHBondContact O-N 2.85Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.13Å; L136-L138 PolarHBondContact O-N 2.98Å; L136-L138 VanDerWaalsContact O-N 3.14Å |
| 139 | E | 98.1 | Very high | 98.2 | Very high | 135 Ų | 135 | 66.3 Ų | 66.3 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -100.9 | -32.9 | -169.9 | -64.6 | 177.1 | -178.8 | 0 | 0 | 113.2 | R135 L136 | R135-E139 WeakPolarHBondContact CD-OE2 3.2Å; R135-E139 HydrophobicContact CG-CG 4.23Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE2 3.39Å; R135-E139 IonicContact CZ-OE2 3.79Å; R135-E139 IonicContact NH1-OE2 2.8Å; R135-E139 PolarHBondContact NH1-OE2 2.99Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.09Å; L136-E139 PolarHBondContact O-N 3.46Å |
| 140 | D | 98.3 | Very high | 98.3 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | trans | -150.6 | 79.5 | -176.2 | -170 | -15.4 | 0 | 0 | 0 | 110.8 | L136 A142 E143 Y144 | L136-D140 HydrophobicContact CD2-CB 4.27Å; L136-D140 CarbonylContact O-C 2.9Å; L136-D140 WeakPolarHBondContact O-CA 3.3Å; L136-D140 PolarHBondContact O-N 3.48Å; D140-A142 PolarHBondContact O-N 2.83Å; D140-A142 PolarHBondContact OD1-N 3.47Å; D140-E143 HydrophobicContact CB-CB 4.23Å; D140-E143 PolarHBondContact O-N 3.04Å; D140-E143 PolarHBondContact OD1-N 3.39Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; D140-Y144 PolarHBondContact O-N 3.45Å | ||
| 141 | Y | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 68.8 Ų | 68.8 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -32.3 | -178 | -174.5 | -93.2 | 0 | 0 | 0 | 112.4 | L136 L137 Y144 E145 | L136-Y141 PolarHBondContact O-N 3.31Å; L137-Y141 HydrophobicContact CD1-CD2 3.93Å; L137-Y141 HydrophobicContact CD1-CE2 3.88Å; Y141-Y144 AromaticContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CE1 4.5Å; Y141-Y144 AromaticContact CE2-CD1 3.78Å; Y141-Y144 HydrophobicContact CE2-CD1 3.78Å; Y141-Y144 AromaticContact CE2-CE1 3.95Å; Y141-Y144 HydrophobicContact CE2-CE1 3.95Å; Y141-Y144 PolarHBondContact O-N 3.01Å; Y141-E145 HydrophobicContact CD1-CB 4.37Å; Y141-E145 HydrophobicContact CE1-CB 4.1Å; Y141-E145 HydrophobicContact CE1-CG 4.48Å; Y141-E145 WeakPolarHBondContact O-CB 3.38Å; Y141-E145 PolarHBondContact O-N 2.84Å |
| 142 | A | 98.5 | Very high | 98.3 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -43 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D140 E145 S146 | D140-A142 PolarHBondContact O-N 2.83Å; D140-A142 PolarHBondContact OD1-N 3.47Å; A142-E145 PolarHBondContact O-N 3.46Å; A142-S146 VanDerWaalsContact O-CB 3.3Å; A142-S146 WeakPolarHBondContact O-CB 3.33Å; A142-S146 PolarHBondContact O-N 3.26Å |
| 143 | E | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 175 | -178.3 | 64.5 | -172 | 0 | 0 | 111.8 | L136 D140 E145 S146 R147 | L136-E143 HydrophobicContact CD1-CG 4.07Å; L136-E143 HydrophobicContact CD2-CB 4.2Å; L136-E143 HydrophobicContact CD2-CG 3.91Å; D140-E143 HydrophobicContact CB-CB 4.23Å; D140-E143 PolarHBondContact O-N 3.04Å; D140-E143 PolarHBondContact OD1-N 3.39Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.29Å; E143-S146 PolarHBondContact O-N 3.34Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.44Å; E143-R147 IonicContact OE1-CZ 2.64Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.58Å; E143-R147 PolarHBondContact OE1-NE 3.5Å; E143-R147 IonicContact OE1-NH2 3.72Å; E143-R147 PolarHBondContact OE1-NH2 2.92Å |
| 144 | Y | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.3 | -50.8 | 172.1 | 162 | -104.5 | 0 | 0 | 0 | 111.3 | P54 F55 F84 P86 L137 D140 Y141 R147 A148 | P54-Y144 HydrophobicContact CG-CE1 4.08Å; F55-Y144 WeakPolarHBondContact CZ-OH 3.26Å; F84-Y144 HydrophobicContact CD1-CD2 4.16Å; F84-Y144 HydrophobicContact CD1-CE2 4.34Å; F84-Y144 AromaticContact CE1-CD2 4Å; F84-Y144 HydrophobicContact CE1-CD2 4Å; P86-Y144 HydrophobicContact CG-CE2 4.44Å; L137-Y144 HydrophobicContact CB-CD2 4.47Å; L137-Y144 HydrophobicContact CB-CG 4.39Å; L137-Y144 HydrophobicContact CD1-CD1 3.69Å; L137-Y144 HydrophobicContact CD1-CE1 3.52Å; L137-Y144 HydrophobicContact CD1-CE2 4.5Å; L137-Y144 HydrophobicContact CD1-CG 4.24Å; D140-Y144 PolarHBondContact O-N 3.45Å; Y141-Y144 AromaticContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CE1 4.5Å; Y141-Y144 AromaticContact CE2-CD1 3.78Å; Y141-Y144 HydrophobicContact CE2-CD1 3.78Å; Y141-Y144 AromaticContact CE2-CE1 3.95Å; Y141-Y144 HydrophobicContact CE2-CE1 3.95Å; Y141-Y144 PolarHBondContact O-N 3.01Å; Y144-R147 PolarHBondContact O-N 3.47Å; Y144-A148 HydrophobicContact CE2-CB 4.41Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.33Å |
| 145 | E | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 71 Ų | 71 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | -178.2 | -178.4 | 178.8 | -158.6 | 0 | 0 | 111.1 | P54 Y141 A142 E143 R147 A148 R149 | P54-E145 HydrophobicContact CB-CG 4.13Å; Y141-E145 HydrophobicContact CD1-CB 4.37Å; Y141-E145 HydrophobicContact CE1-CB 4.1Å; Y141-E145 HydrophobicContact CE1-CG 4.48Å; Y141-E145 WeakPolarHBondContact O-CB 3.38Å; Y141-E145 PolarHBondContact O-N 2.84Å; A142-E145 PolarHBondContact O-N 3.46Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.29Å; E145-R147 PolarHBondContact O-N 3.09Å; E145-A148 PolarHBondContact O-N 2.95Å; E145-R149 HydrophobicContact CG-CG 4.4Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.16Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.37Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 2.76Å; E145-R149 PolarHBondContact OE1-NE 3.33Å; E145-R149 VanDerWaalsContact OE1-NE 3.08Å; E145-R149 IonicContact OE1-NH2 3.63Å; E145-R149 PolarHBondContact OE1-NH2 2.83Å |
| 146 | S | 98.6 | Very high | 98.1 | Very high | 67 Ų | 67 | 65.8 Ų | 65.8 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 177 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | A142 E143 R149 L150 | A142-S146 VanDerWaalsContact O-CB 3.3Å; A142-S146 WeakPolarHBondContact O-CB 3.33Å; A142-S146 PolarHBondContact O-N 3.26Å; E143-S146 PolarHBondContact O-N 3.34Å; S146-R149 PolarHBondContact O-N 3.42Å; S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.06Å |
| 147 | R | 98.6 | Very high | 97.6 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 179.1 | -70.1 | -177.1 | -175.6 | -162.8 | 8 | 112.9 | F84 E132 E143 Y144 E145 L150 L151 | F84-R147 HydrophobicContact CD1-CB 3.8Å; F84-R147 HydrophobicContact CE1-CB 3.85Å; F84-R147 HydrophobicContact CG-CB 4.4Å; E132-R147 IonicContact OE1-CZ 3.71Å; E132-R147 IonicContact OE1-NH1 3.27Å; E132-R147 PolarHBondContact OE1-NH1 3.38Å; E132-R147 IonicContact OE2-NH1 2.65Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.44Å; E143-R147 IonicContact OE1-CZ 2.64Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.58Å; E143-R147 PolarHBondContact OE1-NE 3.5Å; E143-R147 IonicContact OE1-NH2 3.72Å; E143-R147 PolarHBondContact OE1-NH2 2.92Å; Y144-R147 PolarHBondContact O-N 3.47Å; E145-R147 PolarHBondContact O-N 3.09Å; R147-L150 PolarHBondContact O-N 3.41Å; R147-L151 WeakPolarHBondContact O-CB 3.3Å; R147-L151 PolarHBondContact O-N 3.38Å |
| 148 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | P54 F55 F84 Y144 E145 T152 | P54-A148 HydrophobicContact CB-CB 3.53Å; P54-A148 HydrophobicContact CG-CB 3.76Å; F55-A148 HydrophobicContact CE1-CB 4.04Å; F55-A148 HydrophobicContact CZ-CB 4.42Å; F84-A148 HydrophobicContact CB-CB 4.39Å; F84-A148 HydrophobicContact CD1-CB 4.28Å; Y144-A148 HydrophobicContact CE2-CB 4.41Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.33Å; E145-A148 PolarHBondContact O-N 2.95Å; A148-T152 WeakPolarHBondContact O-CB 3.41Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.4Å |
| 149 | R | 98.5 | Very high | 94.1 | Very high | 112 Ų | 112 | 67.6 Ų | 67.6 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 172.9 | -74.7 | 175.7 | -175 | -104.3 | 6.2 | 111.6 | P54 E145 S146 L151 T152 E153 | P54-R149 HydrophobicContact CB-CG 3.77Å; P54-R149 WeakPolarHBondContact O-CA 3.5Å; P54-R149 WeakPolarHBondContact O-CG 3.33Å; E145-R149 HydrophobicContact CG-CG 4.4Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.16Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.37Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 2.76Å; E145-R149 PolarHBondContact OE1-NE 3.33Å; E145-R149 VanDerWaalsContact OE1-NE 3.08Å; E145-R149 IonicContact OE1-NH2 3.63Å; E145-R149 PolarHBondContact OE1-NH2 2.83Å; S146-R149 PolarHBondContact O-N 3.42Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.14Å; R149-T152 WeakPolarHBondContact O-CA 3.49Å; R149-T152 WeakPolarHBondContact O-CB 3.25Å; R149-T152 PolarHBondContact O-N 3.33Å; R149-T152 VanDerWaalsContact O-N 3.09Å; R149-E153 WeakPolarHBondContact O-CG 3.26Å; R149-E153 PolarHBondContact O-N 2.94Å |
| 150 | L | 98.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 178 | 178 | 63.6 | 0 | 0 | 0 | 111.8 | S146 R147 T152 E153 I154 | S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.06Å; R147-L150 PolarHBondContact O-N 3.41Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 2.84Å; L150-E153 PolarHBondContact O-N 2.98Å; L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 VanDerWaalsContact O-CG1 3.32Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-I154 VanDerWaalsContact O-N 3.09Å |
| 151 | L | 97.8 | Very high | 89.1 | Confident | 49 Ų | 49 | 67.6 Ų | 67.6 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.1 | -33.9 | -179.8 | -146.2 | 69.5 | 0 | 0 | 0 | 111.9 | F84 R147 R149 I154 H155 | F84-L151 HydrophobicContact CB-CB 4.38Å; F84-L151 HydrophobicContact CB-CD2 3.83Å; R147-L151 WeakPolarHBondContact O-CB 3.3Å; R147-L151 PolarHBondContact O-N 3.38Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.14Å; L151-I154 PolarHBondContact O-N 3.01Å; L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-CD2 2.9Å; L151-H155 PolarHBondContact O-N 3.32Å |
| 152 | T | 98.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 171.9 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | P54 F60 A148 R149 L150 I154 H155 A156 M157 | P54-T152 PolarHBondContact O-OG1 2.92Å; F60-T152 HydrophobicContact CE2-CG2 4.42Å; F60-T152 HydrophobicContact CZ-CG2 3.88Å; A148-T152 WeakPolarHBondContact O-CB 3.41Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.4Å; R149-T152 WeakPolarHBondContact O-CA 3.49Å; R149-T152 WeakPolarHBondContact O-CB 3.25Å; R149-T152 PolarHBondContact O-N 3.33Å; R149-T152 VanDerWaalsContact O-N 3.09Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 2.84Å; T152-I154 VanDerWaalsContact C-N 3.33Å; T152-I154 PolarHBondContact O-N 3.42Å; T152-H155 PolarHBondContact O-N 3.26Å; T152-A156 HydrophobicContact CG2-CB 4.05Å; T152-A156 CarbonylContact O-C 3.58Å; T152-A156 WeakPolarHBondContact O-CA 3.37Å; T152-A156 WeakPolarHBondContact O-CB 3.38Å; T152-A156 PolarHBondContact O-N 3.36Å; T152-M157 PolarHBondContact O-N 2.97Å |
| 153 | E | 97.3 | Very high | 83.6 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 178 | -73.3 | 173.9 | -168 | 0 | 0 | 112.8 | R149 L150 M157 | R149-E153 WeakPolarHBondContact O-CG 3.26Å; R149-E153 PolarHBondContact O-N 2.94Å; L150-E153 PolarHBondContact O-N 2.98Å; E153-M157 WeakPolarHBondContact O-CB 3.39Å |
| 154 | I | 97.1 | Very high | 81.1 | Confident | 105 Ų | 105 | 70 Ų | 70 | 54% | 0.538 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.3 | -38.7 | -177.4 | -63.8 | 165.8 | 0 | 0 | 0 | 112.1 | L150 L151 T152 | L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 VanDerWaalsContact O-CG1 3.32Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-I154 VanDerWaalsContact O-N 3.09Å; L151-I154 PolarHBondContact O-N 3.01Å; T152-I154 VanDerWaalsContact C-N 3.33Å; T152-I154 PolarHBondContact O-N 3.42Å |
| 155 | H | 97.1 | Very high | 78.4 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 32% | 0.324 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -112.6 | -23.9 | -166.1 | -66.2 | -66.3 | 0 | 0 | 0 | 115.2 | T81 K82 L151 T152 | T81-H155 HydrophobicContact CG2-CB 4.04Å; T81-H155 WeakPolarHBondContact CG2-O 3.33Å; K82-H155 HydrophobicContact CB-CB 4.28Å; L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-CD2 2.9Å; L151-H155 PolarHBondContact O-N 3.32Å; T152-H155 PolarHBondContact O-N 3.26Å |
| 156 | A | 96.1 | Very high | 75.4 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -18.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I59 F60 T81 T152 G158 | I59-A156 PolarHBondContact N-O 3.26Å; F60-A156 HydrophobicContact CD1-CB 4.2Å; F60-A156 HydrophobicContact CE1-CB 3.79Å; F60-A156 HydrophobicContact CE2-CB 4.11Å; F60-A156 HydrophobicContact CZ-CB 3.75Å; T81-A156 HydrophobicContact CG2-CB 3.87Å; T152-A156 HydrophobicContact CG2-CB 4.05Å; T152-A156 CarbonylContact O-C 3.58Å; T152-A156 WeakPolarHBondContact O-CA 3.37Å; T152-A156 WeakPolarHBondContact O-CB 3.38Å; T152-A156 PolarHBondContact O-N 3.36Å; A156-G158 PolarHBondContact O-N 3.06Å |
| 157 | M | 88.3 | Confident | 72.8 | Confident | 107 Ų | 107 | 77.8 Ų | 77.8 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | trans | -81.7 | 99.9 | 173.1 | -62.2 | -66.8 | -80 | 0 | 0 | 109.8 | T152 E153 | T152-M157 PolarHBondContact O-N 2.97Å; E153-M157 WeakPolarHBondContact O-CB 3.39Å | ||
| 158 | G | 66.6 | Low | 70.1 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | trans | 159.4 | 91.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A156 | A156-G158 PolarHBondContact O-N 3.06Š| ||
| 159 | G | 55.3 | Low | 67.3 | Low | 49 Ų | 49 | 89.9 Ų | 89.9 | 51% | 0.505 | 56% | 0.563 | S | S | . | * | trans | -53.1 | 165.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | G161 G162 | G159-G161 PolarHBondContact O-N 3.09Å; G159-G162 PolarHBondContact O-N 3.09Å | ||
| 160 | P | 47.8 | Very low | 64.8 | Low | 141 Ų | 141 | 90.6 Ų | 90.6 | 92% | 0.916 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 100.2 | -159.7 | 26.8 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 161 | G | 44.9 | Very low | 62.5 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.8 | -14.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G159 T163 | G159-G161 PolarHBondContact O-N 3.09Å; G161-T163 PolarHBondContact O-N 2.96Å |
| 162 | G | 40.1 | Very low | 60.1 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 53% | 0.526 | 63% | 0.626 | S | S | . | * | trans | -64.8 | 104.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G159 S164 | G159-G162 PolarHBondContact O-N 3.09Å; G162-S164 PolarHBondContact O-N 3.05Å | ||
| 163 | T | 39.9 | Very low | 57.6 | Low | 132 Ų | 132 | 101 Ų | 101 | 81% | 0.81 | 65% | 0.651 | S | S | * | * | trans | -43.9 | 118.1 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | G161 G165 | G161-T163 PolarHBondContact O-N 2.96Å; T163-G165 PolarHBondContact O-N 2.73Å; T163-G165 VanDerWaalsContact O-N 3.09Å | ||
| 164 | S | 45.9 | Very low | 54.9 | Low | 111 Ų | 111 | 101.6 Ų | 101.6 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -52.7 | 112.7 | 160.1 | 44.6 | 0 | 0 | 0 | 0 | 108.9 | G162 A166 | G162-S164 PolarHBondContact O-N 3.05Å; S164-A166 PolarHBondContact O-N 2.64Å | ||
| 165 | G | 42 | Very low | 52.3 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 78% | 0.784 | 68% | 0.681 | S | S | * | * | trans | -55.8 | 113.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | T163 | T163-G165 PolarHBondContact O-N 2.73Å; T163-G165 VanDerWaalsContact O-N 3.09Å | ||
| 166 | A | 36.4 | Very low | 49.6 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 65% | 0.653 | 70% | 0.702 | S | S | * | * | trans | -56.9 | 151.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S164 Q168 | S164-A166 PolarHBondContact O-N 2.64Å; A166-Q168 PolarHBondContact O-N 2.8Å; A166-Q168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | P | 43.3 | Very low | 46.9 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | trans | -57.6 | 119.8 | 168.6 | -15.3 | 28.5 | 0 | 0 | 0 | 108.5 | D169 | P167-D169 PolarHBondContact O-N 3.23Š| ||
| 168 | Q | 42.4 | Very low | 44.3 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -70 | 112.9 | 168.5 | -75.3 | -175.1 | -27.3 | 0 | 0 | 108 | A166 | A166-Q168 PolarHBondContact O-N 2.8Å; A166-Q168 VanDerWaalsContact O-N 3.12Å | ||
| 169 | D | 39.4 | Very low | 43 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -62.1 | 127.5 | 165 | -119.6 | -37.7 | 0 | 0 | 0 | 108.5 | P167 N171 | P167-D169 PolarHBondContact O-N 3.23Å; D169-N171 PolarHBondContact O-N 3.12Å | ||
| 170 | P | 47.3 | Very low | 42.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 28.6 | -171.9 | 32.7 | -34.1 | 0 | 0 | 0 | 113.8 | ||
| 171 | N | 50.2 | Low | 41.5 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 19.6 | -167.4 | -148.8 | 31.6 | 0 | 0 | 0 | 117.9 | D169 G173 | D169-N171 PolarHBondContact O-N 3.12Å; N171-G173 PolarHBondContact O-N 3.02Å |
| 172 | D | 46 | Very low | 41 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -97.2 | 90.2 | 169.2 | -98.5 | -35.1 | 0 | 0 | 0 | 111.5 | ||||
| 173 | G | 45.3 | Very low | 41.7 | Very low | 54 Ų | 54 | 135.8 Ų | 135.8 | 56% | 0.557 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 149.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N171 Q175 | N171-G173 PolarHBondContact O-N 3.02Å; G173-Q175 PolarHBondContact O-N 3.26Å |
| 174 | P | 41.8 | Very low | 41.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118.5 | -175.9 | -5.8 | 21 | 0 | 0 | 0 | 111.1 | ||
| 175 | Q | 42 | Very low | 41 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 139 | 166.2 | -75.4 | -166.7 | -11.8 | 0 | 0 | 111.7 | G173 | G173-Q175 PolarHBondContact O-N 3.26Š|
| 176 | P | 41.4 | Very low | 40.5 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 134.2 | -177 | 31.9 | -31.9 | 0 | 0 | 0 | 112.5 | ||
| 177 | K | 39.4 | Very low | 40.5 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121.4 | 169.1 | -73.9 | -175.5 | 177.6 | 178.2 | 0 | 110.4 | ||
| 178 | K | 34 | Very low | 39.9 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 139.3 | 168.1 | -63.1 | 175.4 | 178.2 | 177.2 | 0 | 110.3 | ||
| 179 | H | 38.8 | Very low | 40.4 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -148.2 | 136.5 | 145.2 | -102.5 | 69.4 | 0 | 0 | 0 | 108.6 | ||||
| 180 | A | 38.4 | Very low | 40.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -103.1 | 151.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 181 | G | 31.7 | Very low | 39.8 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 159.6 | 87 | 166 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 182 | D | 34.7 | Very low | 39.1 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -83.2 | -179.2 | 169 | -115.8 | -77 | 0 | 0 | 0 | 111.1 | ||||
| 183 | P | 54.9 | Low | 38.6 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | cis | -141.4 | 178.8 | -7.1 | 29.6 | -5.7 | 0 | 0 | 0 | 117.1 | ||||
| 184 | M | 34.3 | Very low | 38.2 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | 114.8 | 106 | 132 | -157.1 | 113.7 | 91.5 | 0 | 0 | 119.2 | ||||
| 185 | K | 36.8 | Very low | 38.8 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | 175.1 | 120.1 | 110.9 | -98.6 | -176.4 | 179.4 | -177.4 | 0 | 115 | |||||
| 186 | R | 32.9 | Very low | 38.5 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | 18.5 | 128.9 | 144.2 | -67 | -177.9 | 176.5 | -151.3 | -2 | 122 | ||||
| 187 | A | 34.8 | Very low | 38.4 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | 155 | 131.5 | 99.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 188 | G | 31.8 | Very low | 38.1 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -92 | -147.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 189 | P | 51.8 | Low | 38.1 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -135.5 | -167.9 | -25.8 | 40.1 | -21.8 | 0 | 0 | 0 | 113.9 | ||||
| 190 | S | 36.4 | Very low | 38 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | 85.6 | 143.6 | 157.5 | -113.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 191 | V | 38.7 | Very low | 37.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | cis | -170.8 | 137.4 | 7.3 | -106.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 192 | A | 35.5 | Very low | 38 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 105.4 | 137 | 103.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 193 | A | 34.4 | Very low | 38.2 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 76.6 | 115.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 194 | V | 38 | Very low | 37.2 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -64.8 | 172 | 142.1 | -103.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 195 | P | 53.5 | Low | 37.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -148.8 | 177.9 | 25.7 | 35.5 | -10.6 | 0 | 0 | 0 | 118.8 | ||||
| 196 | A | 37 | Very low | 37.2 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 38.4 | 134.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 197 | A | 37.7 | Very low | 37.3 | Very low | 88 Ų | 88 | 110.9 Ų | 110.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 175.8 | 120.8 | 133.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 198 | L | 32.9 | Very low | 37.2 | Very low | 177 Ų | 177 | 111.9 Ų | 111.9 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | 81 | 127.1 | 72 | -84.6 | 159.3 | 0 | 0 | 0 | 115.3 | |||||
| 199 | G | 34.9 | Very low | 37.4 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 124.4 | 105.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 200 | N | 35.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 112.3 Ų | 112.3 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | 94.7 | 137.3 | 62.8 | -100 | 17.4 | 0 | 0 | 0 | 114.6 | |||||
| 201 | G | 34 | Very low | 36.5 | Very low | 74 Ų | 74 | 114.9 Ų | 114.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 123.5 | 96 | 162 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 202 | A | 37.6 | Very low | 36.3 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | cis | 82.1 | 115.7 | 44 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | N | 38.9 | Very low | 36.3 | Very low | 171 Ų | 171 | 116.8 Ų | 116.8 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | 94.7 | 134.9 | 137.5 | -65.2 | -12.2 | 0 | 0 | 0 | 123.6 | ||||
| 204 | G | 33.4 | Very low | 36.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 133.7 | 84.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 205 | A | 35.8 | Very low | 36.1 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | 62.8 | 99.9 | 84.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 206 | S | 36 | Very low | 35.2 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 77.1 | 126.6 | 91.7 | 70.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 207 | T | 33.3 | Very low | 35 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 162.2 | 107.2 | 139.5 | 34.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 208 | T | 33.5 | Very low | 35 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 87.1 | 132.2 | 91.9 | 51 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 209 | S | 36.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 66.3 | 144.4 | 144.2 | 52.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 210 | S | 35.4 | Very low | 35.2 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | cis | -179.9 | 158.1 | 6.6 | 37.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 211 | N | 32.7 | Very low | 35.4 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 150.7 | 148.9 | -94.7 | 1.9 | 0 | 0 | 0 | 119.5 | ||||
| 212 | S | 35.7 | Very low | 35.6 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -170.3 | 158.4 | 11.7 | 35.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | N | 34.8 | Very low | 35.4 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -37.1 | 149 | 164.8 | -82 | -17.2 | 0 | 0 | 0 | 116.6 | ||||
| 214 | S | 36.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | -164.3 | 143.7 | 122.9 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 215 | S | 32.6 | Very low | 35.6 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 163.7 | -176.1 | -46.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 216 | S | 35 | Very low | 35.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 131.7 | 123.2 | 126.9 | 67.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 217 | N | 31.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 34.2 | 134.3 | 143.2 | -83.2 | -8 | 0 | 0 | 0 | 121.7 | ||||
| 218 | T | 38.1 | Very low | 36.4 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | -175.6 | 129.5 | 106.5 | 33.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 219 | N | 34.5 | Very low | 37 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | 29.9 | 116.4 | 138.4 | -63.1 | -19.8 | 0 | 0 | 0 | 122.8 | ||||
| 220 | N | 37.4 | Very low | 37.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | 47.8 | 109.7 | 108.8 | -142.5 | 10.9 | 0 | 0 | 0 | 119.5 | |||||
| 221 | V | 39.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 152.7 Ų | 152.7 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -143.7 | 114.9 | 147.3 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 222 | A | 38.8 | Very low | 38.6 | Very low | 92 Ų | 92 | 149.7 Ų | 149.7 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | -84.5 | 141.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 223 | G | 34 | Very low | 39.2 | Very low | 69 Ų | 69 | 153 Ų | 153 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | trans | 149.3 | 108.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 224 | K | 37.1 | Very low | 40 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | 62.4 | 116.9 | 146.4 | -69.4 | 175 | 175.4 | 172.1 | 0 | 119.3 | ||||
| 225 | K | 38.1 | Very low | 40.7 | Very low | 211 Ų | 211 | 162.5 Ų | 162.5 | 92% | 0.917 | 85% | 0.846 | S | S | * | * | -164.7 | 107.4 | 111 | -101.4 | 167 | -173.1 | -177.4 | 0 | 111.3 | |||||
| 226 | K | 39.7 | Very low | 41.2 | Very low | 207 Ų | 207 | 169.2 Ų | 169.2 | 90% | 0.9 | 87% | 0.872 | S | S | * | * | trans | -79.8 | 155.4 | 156.8 | -89 | -177.4 | 173.9 | 179.3 | 0 | 108.4 | ||||
| 227 | A | 39.4 | Very low | 41.5 | Very low | 88 Ų | 88 | 171.9 Ų | 171.9 | 73% | 0.727 | 88% | 0.875 | S | S | * | * | trans | 78.5 | 100.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 228 | D | 44.3 | Very low | 42 | Very low | 160 Ų | 160 | 172.9 Ų | 172.9 | 86% | 0.856 | 88% | 0.878 | S | S | * | * | 170.6 | 99.8 | 117.1 | -93.3 | -41.1 | 0 | 0 | 0 | 110.3 | |||||
| 229 | K | 44.5 | Very low | 42.2 | Very low | 215 Ų | 215 | 175.1 Ų | 175.1 | 94% | 0.935 | 88% | 0.882 | S | S | * | * | trans | -162.2 | 36.5 | 156.3 | -114.7 | 173.9 | -172.9 | -175 | 0 | 113 | R231 | K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.49Å | ||
| 230 | K | 50 | Low | 42.7 | Very low | 218 Ų | 218 | 176.8 Ų | 176.8 | 95% | 0.948 | 89% | 0.887 | S | S | * | * | trans | -95 | 60.9 | 168.1 | -144.8 | -176.5 | -166.4 | -174.6 | 0 | 109.5 | ||||
| 231 | R | 46.4 | Very low | 43 | Very low | 241 Ų | 241 | 178.6 Ų | 178.6 | 91% | 0.909 | 89% | 0.893 | S | S | * | * | trans | -164.4 | 73.1 | 170.1 | -158.5 | 177 | -176.5 | -157.6 | 0.4 | 112.8 | K229 | K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.49Å | ||
| 232 | A | 43 | Very low | 43.2 | Very low | 97 Ų | 97 | 180.8 Ų | 180.8 | 80% | 0.802 | 89% | 0.894 | S | S | * | * | trans | -158.3 | 58 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 233 | L | 48.5 | Very low | 43.6 | Very low | 174 Ų | 174 | 187.1 Ų | 187.1 | 91% | 0.911 | 90% | 0.904 | S | S | * | * | trans | -137.8 | 81.4 | 162.3 | -136.1 | 100.9 | 0 | 0 | 0 | 107.5 | ||||
| 234 | R | 50 | Low | 44.3 | Very low | 240 Ų | 240 | 196.2 Ų | 196.2 | 91% | 0.906 | 92% | 0.918 | S | S | * | * | S | Bend | trans | -171.9 | 118.8 | 161.2 | -106.1 | 171.5 | -171.2 | -104.5 | 0.7 | 106.7 | ||
| 235 | R | 52.5 | Low | 44.9 | Very low | 240 Ų | 240 | 195.2 Ų | 195.2 | 91% | 0.906 | 92% | 0.919 | S | S | * | * | trans | 86.1 | 86.1 | 178.9 | -53.3 | 177.7 | 172.6 | -167.9 | -3.8 | 114.1 | ||||
| 236 | L | 42.5 | Very low | 45.5 | Very low | 251 Ų | 251 | 193.7 Ų | 193.7 | 100% | 1.314 | 92% | 0.919 | S | S | * | * | -162.6 | 0 | 88.6 | -92 | 152.9 | 0 | 0 | 0 | 107.9 |
Retrieved 236 of 236 residues in 65.3 ms
(Link to these results)