| 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 | 45 | Very low | 75.2 | Confident | 222 Ų | 222 | 81.4 Ų | 81.4 | 100% | 1.094 | 47% | 0.47 | S | S | * | . | 0 | 107.3 | 0 | -66.7 | -176.1 | -77 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.37Š| |||
| 2 | A | 46.1 | Very low | 76.3 | Confident | 102 Ų | 102 | 76.9 Ų | 76.9 | 84% | 0.843 | 44% | 0.443 | S | S | * | . | trans | -81.3 | 116.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109 | G4 | A2-G4 PolarHBondContact O-N 2.91Š| ||
| 3 | S | 56.2 | Low | 77.2 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | trans | -69.1 | 6.7 | -176.1 | -156.1 | 0 | 0 | 0 | 0 | 114.1 | M1 V5 | M1-S3 PolarHBondContact O-N 3.37Å; S3-V5 WeakPolarHBondContact O-CG2 3.21Å; S3-V5 PolarHBondContact O-N 2.73Å | ||
| 4 | G | 68.8 | Low | 78 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 62% | 0.619 | 43% | 0.426 | S | S | * | . | trans | 61.4 | 9.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2 | A2-G4 PolarHBondContact O-N 2.91Š| ||
| 5 | V | 81.6 | Confident | 78.6 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.067 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 128.1 | -175.1 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | S3 L41 L45 K46 I48 I117 S121 | S3-V5 WeakPolarHBondContact O-CG2 3.21Å; S3-V5 PolarHBondContact O-N 2.73Å; V5-L41 HydrophobicContact CG1-CD2 3.67Å; V5-L45 WeakPolarHBondContact CG2-O 3.39Å; V5-K46 CarbonylContact C-O 3.5Å; V5-K46 VanDerWaalsContact CA-O 3.25Å; V5-K46 WeakPolarHBondContact CA-O 3.24Å; V5-I48 HydrophobicContact CG1-CD1 4.09Å; V5-I48 HydrophobicContact CG1-CG1 3.67Å; V5-I117 HydrophobicContact CG2-CG2 4.25Å; V5-S121 VanDerWaalsContact CB-OG 3.25Å; V5-S121 WeakPolarHBondContact CB-OG 3.43Å; V5-S121 WeakPolarHBondContact CG2-OG 3.27Å |
| 6 | K | 85.9 | Confident | 79.1 | Confident | 148 Ų | 148 | 68.2 Ų | 68.2 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.5 | 177.8 | -66.7 | -176.9 | 176.2 | -174.7 | 0 | 110.2 | K46 N47 I48 | K6-K46 PolarHBondContact N-O 2.87Å; K6-N47 CarbonylContact O-C 3.52Å; K6-N47 VanDerWaalsContact O-CA 3.23Å; K6-N47 WeakPolarHBondContact O-CA 3.26Å; K6-I48 PolarHBondContact O-N 3.07Å |
| 7 | V | 88.1 | Confident | 79.4 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.5 | 169.9 | -171 | 0 | 0 | 0 | 0 | 106.7 | V11 I12 I48 I125 K128 | V7-V11 HydrophobicContact CG1-CB 3.81Å; V7-V11 HydrophobicContact CG1-CG1 3.7Å; V7-I12 HydrophobicContact CG1-CD1 4.36Å; V7-I12 HydrophobicContact CG1-CG1 3.87Å; V7-I48 HydrophobicContact CG2-CD1 4.3Å; V7-I125 HydrophobicContact CG1-CG1 4.48Å; V7-I125 HydrophobicContact CG2-CB 4.16Å; V7-I125 HydrophobicContact CG2-CG1 4.39Å; V7-K128 HydrophobicContact CB-CB 4.5Å; V7-K128 HydrophobicContact CB-CG 3.96Å; V7-K128 HydrophobicContact CG1-CB 4.45Å; V7-K128 HydrophobicContact CG1-CG 4.4Å; V7-K128 HydrophobicContact CG2-CB 4.25Å; V7-K128 HydrophobicContact CG2-CG 3.75Å |
| 8 | T | 89.6 | Confident | 79.6 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 17% | 0.172 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -70 | 150.3 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 111 | E10 V11 I12 N47 I48 V49 | T8-E10 PolarHBondContact O-N 3.27Å; T8-V11 PolarHBondContact O-N 3.44Å; T8-V11 VanDerWaalsContact O-N 3.13Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.3Å; T8-I12 PolarHBondContact O-N 3.32Å; T8-N47 HydrophobicContact CG2-CB 4.27Å; T8-I48 WeakPolarHBondContact CB-O 3.46Å; T8-I48 WeakPolarHBondContact CG2-O 3.44Å; T8-I48 PolarHBondContact N-O 3.31Å; T8-I48 PolarHBondContact OG1-O 2.9Å; T8-V49 HydrophobicContact CG2-CG1 3.93Å |
| 9 | D | 88.8 | Confident | 79.7 | Confident | 133 Ų | 133 | 67.5 Ų | 67.5 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -28.3 | 179.3 | -58.3 | -85.6 | 0 | 0 | 0 | 112.2 | I12 S13 | D9-I12 PolarHBondContact O-N 3.06Å; D9-S13 WeakPolarHBondContact O-CB 3.26Å; D9-S13 PolarHBondContact O-N 2.88Å |
| 10 | E | 88.4 | Confident | 79.6 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 59% | 0.593 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 174.2 | -65.7 | -177.7 | 83 | 0 | 0 | 112.4 | T8 I12 S13 V14 L50 | T8-E10 PolarHBondContact O-N 3.27Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 2.9Å; E10-S13 PolarHBondContact O-N 3.18Å; E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 3.24Å; E10-L50 HydrophobicContact CB-CD1 3.71Å; E10-L50 HydrophobicContact CB-CG 4.41Å |
| 11 | V | 88.9 | Confident | 79 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | V7 T8 F15 F39 I48 L50 I125 F129 | V7-V11 HydrophobicContact CG1-CB 3.81Å; V7-V11 HydrophobicContact CG1-CG1 3.7Å; T8-V11 PolarHBondContact O-N 3.44Å; T8-V11 VanDerWaalsContact O-N 3.13Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.3Å; V11-F15 WeakPolarHBondContact O-CB 3.46Å; V11-F15 PolarHBondContact O-N 3.33Å; V11-F39 HydrophobicContact CB-CD1 4.25Å; V11-F39 HydrophobicContact CB-CE1 4.21Å; V11-F39 HydrophobicContact CG1-CD1 3.77Å; V11-F39 HydrophobicContact CG1-CE1 3.66Å; V11-F39 HydrophobicContact CG1-CG 4.47Å; V11-F39 HydrophobicContact CG1-CZ 4.34Å; V11-F39 HydrophobicContact CG2-CD1 3.68Å; V11-F39 HydrophobicContact CG2-CE1 4.05Å; V11-I48 HydrophobicContact CG2-CG2 4.35Å; V11-L50 HydrophobicContact CG2-CD2 4.21Å; V11-L50 HydrophobicContact CG2-CG 4.12Å; V11-I125 HydrophobicContact CG1-CD1 4.24Å; V11-F129 HydrophobicContact CG1-CE1 3.7Å; V11-F129 HydrophobicContact CG1-CZ 3.56Å |
| 12 | I | 88.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.8 | -58.2 | 167.7 | 0 | 0 | 0 | 110.4 | V7 T8 D9 E10 F15 N16 K128 | V7-I12 HydrophobicContact CG1-CD1 4.36Å; V7-I12 HydrophobicContact CG1-CG1 3.87Å; T8-I12 PolarHBondContact O-N 3.32Å; D9-I12 PolarHBondContact O-N 3.06Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 2.9Å; I12-F15 PolarHBondContact O-N 2.83Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.19Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.17Å; I12-K128 HydrophobicContact CD1-CB 4.46Å; I12-K128 HydrophobicContact CD1-CD 3.72Å; I12-K128 HydrophobicContact CD1-CG 4.12Å; I12-K128 HydrophobicContact CG1-CB 4.19Å; I12-K128 HydrophobicContact CG1-CD 4.35Å; I12-K128 HydrophobicContact CG1-CG 4.36Å |
| 13 | S | 88.4 | Confident | 80.3 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 178 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | D9 E10 F15 N16 D17 | D9-S13 WeakPolarHBondContact O-CB 3.26Å; D9-S13 PolarHBondContact O-N 2.88Å; E10-S13 PolarHBondContact O-N 3.18Å; S13-F15 PolarHBondContact O-N 3.23Å; S13-N16 PolarHBondContact O-N 2.81Å; S13-D17 PolarHBondContact O-N 3.14Å |
| 14 | V | 87.8 | Confident | 80.4 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | E10 N16 D17 M18 K34 I37 L50 | E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 3.24Å; V14-N16 PolarHBondContact O-N 3.06Å; V14-D17 PolarHBondContact O-N 3.37Å; V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 HydrophobicContact CG1-SD 4.28Å; V14-M18 WeakPolarHBondContact O-CG 3.25Å; V14-M18 PolarHBondContact O-N 3.19Å; V14-K34 HydrophobicContact CG1-CD 3.76Å; V14-I37 HydrophobicContact CG1-CD1 3.76Å; V14-I37 HydrophobicContact CG1-CG2 4.16Å; V14-L50 HydrophobicContact CB-CD2 4.22Å; V14-L50 HydrophobicContact CG2-CD1 4Å; V14-L50 HydrophobicContact CG2-CD2 3.9Å |
| 15 | F | 87.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 1% | 0.013 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.9 | 170 | -108.7 | 0 | 0 | 0 | 112.2 | V11 I12 S13 D17 M18 K19 L85 F129 I132 | V11-F15 WeakPolarHBondContact O-CB 3.46Å; V11-F15 PolarHBondContact O-N 3.33Å; I12-F15 PolarHBondContact O-N 2.83Å; S13-F15 PolarHBondContact O-N 3.23Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 3.27Å; F15-M18 PolarHBondContact O-N 2.79Å; F15-K19 HydrophobicContact CE1-CD 4.07Å; F15-K19 HydrophobicContact CZ-CD 3.96Å; F15-K19 VanDerWaalsContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CB 2.75Å; F15-K19 PolarHBondContact O-N 3.03Å; F15-L85 HydrophobicContact CB-CD1 4.02Å; F15-L85 HydrophobicContact CD2-CD1 3.53Å; F15-L85 HydrophobicContact CD2-CD2 4.33Å; F15-L85 HydrophobicContact CE2-CD1 4.48Å; F15-L85 HydrophobicContact CG-CD1 4.22Å; F15-F129 HydrophobicContact CB-CD1 3.67Å; F15-F129 HydrophobicContact CB-CE1 3.38Å; F15-F129 HydrophobicContact CB-CZ 4.06Å; F15-F129 HydrophobicContact CD1-CB 4.31Å; F15-F129 AromaticContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CE1 4.23Å; F15-F129 HydrophobicContact CD1-CG 4.19Å; F15-F129 HydrophobicContact CD2-CB 4.4Å; F15-F129 AromaticContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD2 4.41Å; F15-F129 HydrophobicContact CD2-CE1 4.23Å; F15-F129 HydrophobicContact CD2-CG 4.01Å; F15-F129 VanDerWaalsContact CE1-CA 3.49Å; F15-F129 HydrophobicContact CE1-CB 4.05Å; F15-F129 HydrophobicContact CE1-CD1 4.22Å; F15-F129 HydrophobicContact CE1-CG 4.41Å; F15-F129 HydrophobicContact CE2-CB 4.16Å; F15-F129 HydrophobicContact CE2-CD1 4.49Å; F15-F129 HydrophobicContact CE2-CG 4.25Å; F15-F129 HydrophobicContact CG-CB 4.46Å; F15-F129 AromaticContact CG-CD1 3.4Å; F15-F129 HydrophobicContact CG-CD1 3.4Å; F15-F129 VanDerWaalsContact CG-CD1 3.4Å; F15-F129 AromaticContact CG-CE1 3.67Å; F15-F129 HydrophobicContact CG-CE1 3.67Å; F15-F129 AromaticContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CZ 4.4Å; F15-F129 HydrophobicContact CZ-CB 3.95Å; F15-F129 HydrophobicContact CZ-CG 4.42Å; F15-I132 HydrophobicContact CD2-CD1 4.12Å; F15-I132 HydrophobicContact CD2-CG1 4.41Å; F15-I132 HydrophobicContact CE2-CD1 3.44Å; F15-I132 VanDerWaalsContact CE2-CD1 3.44Å; F15-I132 HydrophobicContact CE2-CG1 3.31Å; F15-I132 HydrophobicContact CZ-CD1 4.04Å; F15-I132 HydrophobicContact CZ-CG1 3.52Å |
| 16 | N | 86.4 | Confident | 80 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.1 | -78.7 | -61.2 | 0 | 0 | 0 | 111.9 | I12 S13 V14 K19 V20 | I12-N16 WeakPolarHBondContact CG2-ND2 3.19Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.17Å; S13-N16 PolarHBondContact O-N 2.81Å; V14-N16 PolarHBondContact O-N 3.06Å; N16-K19 PolarHBondContact O-N 3.34Å; N16-V20 VanDerWaalsContact O-CB 3.28Å; N16-V20 WeakPolarHBondContact O-CB 3.32Å; N16-V20 VanDerWaalsContact O-CG2 3.25Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 3.1Å |
| 17 | D | 84.6 | Confident | 79.4 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 176.2 | -170.3 | -101.3 | 0 | 0 | 0 | 111.8 | S13 V14 F15 K19 | S13-D17 PolarHBondContact O-N 3.14Å; V14-D17 PolarHBondContact O-N 3.37Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 3.27Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 2.99Å |
| 18 | M | 82.8 | Confident | 78.9 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 6% | 0.064 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63 | -38 | 174.3 | -72.8 | -179.4 | 87.1 | 0 | 0 | 112.1 | V14 F15 K34 K35 I37 L85 D87 L100 | V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 HydrophobicContact CG1-SD 4.28Å; V14-M18 WeakPolarHBondContact O-CG 3.25Å; V14-M18 PolarHBondContact O-N 3.19Å; F15-M18 PolarHBondContact O-N 2.79Å; M18-K34 HydrophobicContact CE-CB 4.22Å; M18-K34 WeakPolarHBondContact CE-O 3.18Å; M18-K34 HydrophobicContact CG-CB 3.99Å; M18-K34 HydrophobicContact SD-CB 4.1Å; M18-K35 WeakPolarHBondContact CE-O 3.27Å; M18-I37 HydrophobicContact CE-CG2 4.43Å; M18-I37 HydrophobicContact SD-CG2 3.65Å; M18-L85 HydrophobicContact CE-CB 4.35Å; M18-L85 HydrophobicContact SD-CB 4.15Å; M18-D87 HydrophobicContact CE-CB 4.39Å; M18-L100 HydrophobicContact CB-CD1 4.27Å; M18-L100 HydrophobicContact CB-CD2 4.06Å; M18-L100 HydrophobicContact CE-CD2 3.91Å; M18-L100 HydrophobicContact SD-CD2 4.44Å |
| 19 | K | 81.1 | Confident | 78.4 | Confident | 94 Ų | 94 | 82 Ų | 82 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.1 | -43.6 | -179.8 | -176.2 | -176.3 | 176.9 | -172.3 | 0 | 112.4 | F15 N16 D17 R21 L100 E130 | F15-K19 HydrophobicContact CE1-CD 4.07Å; F15-K19 HydrophobicContact CZ-CD 3.96Å; F15-K19 VanDerWaalsContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CB 2.75Å; F15-K19 PolarHBondContact O-N 3.03Å; N16-K19 PolarHBondContact O-N 3.34Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 2.99Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.42Å; K19-L100 HydrophobicContact CB-CD1 3.9Å; K19-L100 HydrophobicContact CG-CD1 4.47Å; K19-E130 PolarHBondContact NZ-O 3Å |
| 20 | V | 76.9 | Confident | 77.7 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 58% | 0.576 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -81.1 | 86 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | N16 K22 | N16-V20 VanDerWaalsContact O-CB 3.28Å; N16-V20 WeakPolarHBondContact O-CB 3.32Å; N16-V20 VanDerWaalsContact O-CG2 3.25Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 3.1Å; V20-K22 PolarHBondContact O-N 3.19Å |
| 21 | R | 67.9 | Low | 77 | Confident | 101 Ų | 101 | 82 Ų | 82 | 38% | 0.381 | 42% | 0.417 | S | S | . | . | trans | -66 | 106.4 | 171.6 | -66.8 | -168.2 | -177 | 143.5 | 18.1 | 109.3 | K19 A23 D87 E98 | K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.42Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.92Å; R21-D87 IonicContact CZ-OD2 3.4Å; R21-D87 IonicContact NE-OD2 3.96Å; R21-D87 IonicContact NH2-OD2 3.91Å; R21-D87 PolarHBondContact NH2-OD2 2.92Å; R21-E98 VanDerWaalsContact CZ-CB 3.46Å; R21-E98 IonicContact CZ-OE2 2.79Å; R21-E98 IonicContact NE-OE2 3.6Å; R21-E98 VanDerWaalsContact NH1-CB 3.33Å; R21-E98 IonicContact NH1-OE2 2.8Å; R21-E98 PolarHBondContact NH1-OE2 2.89Å; R21-E98 VanDerWaalsContact NH2-C 3.31Å; R21-E98 PolarHBondContact NH2-O 2.79Å | ||
| 22 | K | 64 | Low | 76.6 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 45% | 0.452 | 45% | 0.445 | S | S | . | . | trans | -63.2 | 95.3 | 167.2 | -72.7 | -171.4 | -172.7 | -179 | 0 | 109.2 | V20 Q24 A25 E29 R33 | V20-K22 PolarHBondContact O-N 3.19Å; K22-Q24 PolarHBondContact O-N 3.43Å; K22-A25 HydrophobicContact CB-CB 3.89Å; K22-A25 WeakPolarHBondContact O-CB 3.36Å; K22-A25 PolarHBondContact O-N 3.46Å; K22-E29 IonicContact NZ-OE1 2.79Å; K22-E29 PolarHBondContact NZ-OE1 2.64Å; K22-E29 IonicContact NZ-OE2 3.8Å; K22-R33 PolarHBondContact O-NH2 3.38Å | ||
| 23 | A | 54.1 | Low | 76.3 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 85% | 0.851 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | R21 | R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.92Å |
| 24 | Q | 57.9 | Low | 76.2 | Confident | 187 Ų | 187 | 87.8 Ų | 87.8 | 87% | 0.874 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 22.6 | 177.6 | -68.1 | 177.1 | -13.3 | 0 | 0 | 114.1 | K22 N26 | K22-Q24 PolarHBondContact O-N 3.43Å; Q24-N26 PolarHBondContact O-N 2.66Å |
| 25 | A | 65.1 | Low | 76.2 | Confident | 14 Ų | 14 | 87.1 Ų | 87.1 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | trans | -66.5 | 131.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | K22 E29 K30 | K22-A25 HydrophobicContact CB-CB 3.89Å; K22-A25 WeakPolarHBondContact O-CB 3.36Å; K22-A25 PolarHBondContact O-N 3.46Å; A25-E29 HydrophobicContact CB-CB 3.8Å; A25-K30 HydrophobicContact CB-CG 4.41Å | ||
| 26 | N | 77.1 | Confident | 76.2 | Confident | 124 Ų | 124 | 87 Ų | 87 | 66% | 0.663 | 43% | 0.425 | S | S | * | . | trans | -56.6 | 159.3 | 168 | -74.8 | -6.9 | 0 | 0 | 0 | 110.6 | Q24 D28 E29 K30 | Q24-N26 PolarHBondContact O-N 2.66Å; N26-D28 PolarHBondContact O-N 3.2Å; N26-D28 VanDerWaalsContact O-N 3.12Å; N26-E29 PolarHBondContact O-N 3.38Å; N26-K30 PolarHBondContact O-N 2.84Å | ||
| 27 | E | 74.1 | Confident | 76.4 | Confident | 166 Ų | 166 | 83.8 Ų | 83.8 | 78% | 0.776 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.7 | -36.6 | 178.6 | -69.8 | -166.6 | 86.1 | 0 | 0 | 112.7 | K30 R31 | E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.01Å; E27-R31 WeakPolarHBondContact O-CG 3.41Å; E27-R31 PolarHBondContact O-N 2.99Å |
| 28 | D | 77.1 | Confident | 76.7 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 177.6 | -136.4 | -95.5 | 0 | 0 | 0 | 112.8 | N26 K30 R31 K32 | N26-D28 PolarHBondContact O-N 3.2Å; N26-D28 VanDerWaalsContact O-N 3.12Å; D28-K30 VanDerWaalsContact C-N 3.35Å; D28-R31 PolarHBondContact O-N 2.98Å; D28-K32 WeakPolarHBondContact O-CG 3.33Å; D28-K32 PolarHBondContact O-N 3.27Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 2.66Å |
| 29 | E | 78.3 | Confident | 77.1 | Confident | 84 Ų | 84 | 79.1 Ų | 79.1 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 174.3 | -82.1 | -158.9 | 114.7 | 0 | 0 | 110.9 | K22 A25 N26 R31 K32 R33 | K22-E29 IonicContact NZ-OE1 2.79Å; K22-E29 PolarHBondContact NZ-OE1 2.64Å; K22-E29 IonicContact NZ-OE2 3.8Å; A25-E29 HydrophobicContact CB-CB 3.8Å; N26-E29 PolarHBondContact O-N 3.38Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.41Å; E29-K32 PolarHBondContact O-N 3.46Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.38Å |
| 30 | K | 74.3 | Confident | 77.5 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 47% | 0.47 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.3 | -106.2 | 180 | -179.4 | -179 | 0 | 112.1 | A25 N26 E27 D28 R33 | A25-K30 HydrophobicContact CB-CG 4.41Å; N26-K30 PolarHBondContact O-N 2.84Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.01Å; D28-K30 VanDerWaalsContact C-N 3.35Å; K30-R33 VanDerWaalsContact O-CB 3.3Å; K30-R33 WeakPolarHBondContact O-CB 3.27Å; K30-R33 WeakPolarHBondContact O-CG 3.46Å; K30-R33 PolarHBondContact O-N 3.2Å |
| 31 | R | 75.1 | Confident | 78 | Confident | 151 Ų | 151 | 72 Ų | 72 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.7 | -35.8 | 176.9 | -76.8 | 176.8 | 149.8 | -163 | -7.9 | 112.7 | E27 D28 E29 R33 G59 | E27-R31 WeakPolarHBondContact O-CG 3.41Å; E27-R31 PolarHBondContact O-N 2.99Å; D28-R31 PolarHBondContact O-N 2.98Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.41Å; R31-R33 PolarHBondContact O-N 3.33Å; R31-G59 WeakPolarHBondContact O-CA 3.41Å; R31-G59 PolarHBondContact O-N 3.36Å |
| 32 | K | 79.4 | Confident | 78.9 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6 | 175.9 | -70.2 | 177.9 | -176 | 177.3 | 0 | 114.1 | D28 E29 K34 | D28-K32 WeakPolarHBondContact O-CG 3.33Å; D28-K32 PolarHBondContact O-N 3.27Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 2.66Å; E29-K32 PolarHBondContact O-N 3.46Å; K32-K34 PolarHBondContact O-N 2.86Å |
| 33 | R | 82.6 | Confident | 79.7 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 19% | 0.189 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -64 | 138.4 | 174.4 | -69.1 | 171.3 | -176.6 | -170.1 | -4.3 | 109.7 | K22 E29 K30 R31 K35 L57 L58 | K22-R33 PolarHBondContact O-NH2 3.38Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.38Å; K30-R33 VanDerWaalsContact O-CB 3.3Å; K30-R33 WeakPolarHBondContact O-CB 3.27Å; K30-R33 WeakPolarHBondContact O-CG 3.46Å; K30-R33 PolarHBondContact O-N 3.2Å; R31-R33 PolarHBondContact O-N 3.33Å; R33-K35 PolarHBondContact O-N 2.93Å; R33-L57 CarbonylContact O-C 3.43Å; R33-L57 WeakPolarHBondContact O-CA 3.25Å; R33-L58 HydrophobicContact CB-CB 4.23Å; R33-L58 HydrophobicContact CB-CD1 3.55Å; R33-L58 HydrophobicContact CB-CG 4.35Å; R33-L58 HydrophobicContact CG-CD1 4.39Å; R33-L58 PolarHBondContact O-N 2.91Å |
| 34 | K | 86.4 | Confident | 81.1 | Confident | 42 Ų | 42 | 74 Ų | 74 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.4 | 175.8 | -54.8 | -176.3 | -171.7 | -144.7 | 0 | 108.4 | V14 M18 K32 I37 E55 I56 L57 | V14-K34 HydrophobicContact CG1-CD 3.76Å; M18-K34 HydrophobicContact CE-CB 4.22Å; M18-K34 WeakPolarHBondContact CE-O 3.18Å; M18-K34 HydrophobicContact CG-CB 3.99Å; M18-K34 HydrophobicContact SD-CB 4.1Å; K32-K34 PolarHBondContact O-N 2.86Å; K34-I37 HydrophobicContact CD-CD1 4.06Å; K34-E55 WeakPolarHBondContact CD-OE2 3.46Å; K34-E55 WeakPolarHBondContact CE-OE2 3.21Å; K34-E55 IonicContact NZ-OE1 2.82Å; K34-E55 IonicContact NZ-OE2 3.72Å; K34-E55 PolarHBondContact NZ-OE2 3.03Å; K34-I56 CarbonylContact C-O 3.55Å; K34-L57 HydrophobicContact CG-CD2 3.92Å |
| 35 | K | 87 | Confident | 82.1 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -49.7 | 170.1 | -174.2 | 68.3 | 160 | 162.4 | 0 | 110.5 | M18 R33 I56 L58 I61 P68 D87 T89 E163 | M18-K35 WeakPolarHBondContact CE-O 3.27Å; R33-K35 PolarHBondContact O-N 2.93Å; K35-I56 WeakPolarHBondContact CA-O 3.21Å; K35-I56 HydrophobicContact CB-CG2 4.27Å; K35-I56 WeakPolarHBondContact CB-O 3Å; K35-I56 PolarHBondContact N-O 3.2Å; K35-L58 HydrophobicContact CB-CG 4.12Å; K35-L58 HydrophobicContact CD-CD2 3.69Å; K35-L58 HydrophobicContact CD-CG 3.99Å; K35-I61 HydrophobicContact CB-CD1 3.86Å; K35-I61 HydrophobicContact CD-CD1 3.76Å; K35-I61 HydrophobicContact CG-CD1 3.5Å; K35-I61 VanDerWaalsContact CG-CD1 3.5Å; K35-P68 HydrophobicContact CG-CB 4.5Å; K35-D87 HydrophobicContact CD-CB 4.33Å; K35-D87 VanDerWaalsContact CD-O 3.3Å; K35-D87 WeakPolarHBondContact CD-O 3.49Å; K35-D87 WeakPolarHBondContact CE-O 3.21Å; K35-D87 PolarHBondContact NZ-O 3.43Å; K35-D87 IonicContact NZ-OD1 2.71Å; K35-D87 PolarHBondContact O-N 3.4Å; K35-T89 PolarHBondContact NZ-OG1 2.88Å; K35-E163 VanDerWaalsContact CE-CD 3.41Å; K35-E163 VanDerWaalsContact CE-OE1 3.25Å; K35-E163 WeakPolarHBondContact CE-OE1 3.38Å; K35-E163 WeakPolarHBondContact CE-OE2 3.28Å; K35-E163 IonicContact NZ-OE1 2.86Å; K35-E163 PolarHBondContact NZ-OE1 2.79Å; K35-E163 IonicContact NZ-OE2 3.95Å; K35-E163 PolarHBondContact NZ-OE2 2.97Å |
| 36 | A | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E55 I56 F72 L85 Y86 | A36-E55 CarbonylContact O-C 3.55Å; A36-E55 WeakPolarHBondContact O-CA 3.4Å; A36-I56 HydrophobicContact CB-CB 3.95Å; A36-I56 HydrophobicContact CB-CD1 4.03Å; A36-I56 HydrophobicContact CB-CG1 4.15Å; A36-I56 PolarHBondContact N-O 3.23Å; A36-I56 VanDerWaalsContact N-O 3.11Å; A36-I56 PolarHBondContact O-N 3.31Å; A36-F72 HydrophobicContact CB-CD2 3.99Å; A36-L85 CarbonylContact C-O 3.48Å; A36-L85 VanDerWaalsContact CA-O 3.23Å; A36-L85 WeakPolarHBondContact CA-O 3.32Å; A36-Y86 HydrophobicContact CB-CD2 3.58Å; A36-Y86 HydrophobicContact CB-CE2 4.08Å |
| 37 | I | 90.3 | Very high | 83.5 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 139.1 | 171.1 | -175.5 | 163.7 | 0 | 0 | 0 | 110.3 | V14 M18 K34 F39 L50 E55 A84 L85 | V14-I37 HydrophobicContact CG1-CD1 3.76Å; V14-I37 HydrophobicContact CG1-CG2 4.16Å; M18-I37 HydrophobicContact CE-CG2 4.43Å; M18-I37 HydrophobicContact SD-CG2 3.65Å; K34-I37 HydrophobicContact CD-CD1 4.06Å; I37-F39 HydrophobicContact CB-CZ 4.45Å; I37-F39 HydrophobicContact CD1-CE1 4.37Å; I37-F39 HydrophobicContact CG1-CE1 4.38Å; I37-F39 HydrophobicContact CG1-CZ 4.36Å; I37-F39 HydrophobicContact CG2-CE1 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.82Å; I37-F39 HydrophobicContact CG2-CZ 3.41Å; I37-F39 VanDerWaalsContact CG2-CZ 3.41Å; I37-L50 HydrophobicContact CD1-CD2 3.39Å; I37-L50 HydrophobicContact CG1-CD2 4.3Å; I37-E55 HydrophobicContact CB-CB 4.22Å; I37-E55 HydrophobicContact CD1-CB 4.3Å; I37-E55 HydrophobicContact CG1-CB 4.02Å; I37-A84 CarbonylContact O-C 3.49Å; I37-A84 WeakPolarHBondContact O-CA 3.46Å; I37-A84 WeakPolarHBondContact O-CB 3.48Å; I37-L85 HydrophobicContact CG2-CB 3.99Å; I37-L85 PolarHBondContact N-O 3.14Å; I37-L85 PolarHBondContact O-N 2.88Å |
| 38 | L | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.7 | 174.7 | -71.4 | 86.6 | 0 | 0 | 0 | 111 | D51 K54 F72 M75 L76 R82 Y83 A84 | L38-D51 HydrophobicContact CB-CB 4.1Å; L38-D51 WeakPolarHBondContact O-CB 3.44Å; L38-D51 PolarHBondContact O-N 2.63Å; L38-K54 HydrophobicContact CB-CB 4.05Å; L38-K54 HydrophobicContact CD1-CB 4.06Å; L38-K54 WeakPolarHBondContact CD1-O 3.49Å; L38-K54 HydrophobicContact CG-CB 4.42Å; L38-K54 PolarHBondContact N-O 3.39Å; L38-F72 HydrophobicContact CD1-CD2 3.9Å; L38-F72 HydrophobicContact CD1-CE2 3.75Å; L38-F72 HydrophobicContact CG-CE2 4.12Å; L38-M75 HydrophobicContact CD1-CB 4.14Å; L38-M75 HydrophobicContact CD1-SD 4.15Å; L38-M75 HydrophobicContact CD2-CB 4.47Å; L38-L76 HydrophobicContact CD2-CD2 3.45Å; L38-L76 VanDerWaalsContact CD2-CD2 3.45Å; L38-L76 HydrophobicContact CD2-CG 4.19Å; L38-L76 HydrophobicContact CG-CD2 4.43Å; L38-R82 HydrophobicContact CD2-CB 4.48Å; L38-Y83 CarbonylContact C-O 3.59Å; L38-Y83 WeakPolarHBondContact CA-O 3.27Å; L38-A84 HydrophobicContact CG-CB 4.21Å |
| 39 | F | 90.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.5 | 173.7 | -44.8 | -85 | 0 | 0 | 0 | 108.9 | V11 I37 I48 V49 L50 Y83 L85 F129 | V11-F39 HydrophobicContact CB-CD1 4.25Å; V11-F39 HydrophobicContact CB-CE1 4.21Å; V11-F39 HydrophobicContact CG1-CD1 3.77Å; V11-F39 HydrophobicContact CG1-CE1 3.66Å; V11-F39 HydrophobicContact CG1-CG 4.47Å; V11-F39 HydrophobicContact CG1-CZ 4.34Å; V11-F39 HydrophobicContact CG2-CD1 3.68Å; V11-F39 HydrophobicContact CG2-CE1 4.05Å; I37-F39 HydrophobicContact CB-CZ 4.45Å; I37-F39 HydrophobicContact CD1-CE1 4.37Å; I37-F39 HydrophobicContact CG1-CE1 4.38Å; I37-F39 HydrophobicContact CG1-CZ 4.36Å; I37-F39 HydrophobicContact CG2-CE1 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.82Å; I37-F39 HydrophobicContact CG2-CZ 3.41Å; I37-F39 VanDerWaalsContact CG2-CZ 3.41Å; F39-I48 HydrophobicContact CB-CG2 3.98Å; F39-V49 WeakPolarHBondContact CA-O 3.23Å; F39-V49 WeakPolarHBondContact CB-O 3.4Å; F39-L50 HydrophobicContact CD1-CD2 3.63Å; F39-L50 HydrophobicContact CD1-CG 4.48Å; F39-L50 HydrophobicContact CE1-CD2 3.33Å; F39-L50 HydrophobicContact CZ-CD2 4.48Å; F39-Y83 PolarHBondContact N-O 2.71Å; F39-Y83 PolarHBondContact O-N 2.79Å; F39-L85 HydrophobicContact CE2-CB 3.97Å; F39-L85 HydrophobicContact CE2-CD1 3.78Å; F39-L85 HydrophobicContact CE2-CG 3.7Å; F39-L85 HydrophobicContact CZ-CB 4.39Å; F39-L85 HydrophobicContact CZ-CD1 3.73Å; F39-L85 HydrophobicContact CZ-CG 4.16Å; F39-F129 HydrophobicContact CE2-CE2 4.48Å; F39-F129 HydrophobicContact CE2-CZ 4.3Å; F39-F129 HydrophobicContact CZ-CZ 4.22Å |
| 40 | C | 88.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 159.9 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | V49 D51 Y118 | C40-V49 PolarHBondContact N-O 2.81Å; C40-V49 WeakPolarHBondContact O-CG2 3.35Å; C40-V49 PolarHBondContact O-N 2.83Å; C40-V49 VanDerWaalsContact O-O 3.05Å; C40-D51 HydrophobicContact CB-CB 4.48Å; C40-D51 WeakPolarHBondContact CB-OD2 3.4Å; C40-D51 PolarHBondContact SG-OD2 2.73Å; C40-Y118 WeakPolarHBondContact CA-OH 3.45Å |
| 41 | L | 87.8 | Confident | 86 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.6 | 164.5 | -72.5 | 169.6 | 0 | 0 | 0 | 108.4 | V5 L45 N47 I48 I117 Y118 | V5-L41 HydrophobicContact CG1-CD2 3.67Å; L41-L45 HydrophobicContact CB-CD2 3.94Å; L41-L45 HydrophobicContact CD1-CD2 3.95Å; L41-N47 WeakPolarHBondContact CA-O 3.37Å; L41-I48 HydrophobicContact CD2-CG1 3.68Å; L41-I117 HydrophobicContact CD1-CB 4.27Å; L41-I117 HydrophobicContact CD1-CG2 3.63Å; L41-Y118 HydrophobicContact CB-CE2 4.13Å; L41-Y118 HydrophobicContact CD1-CD1 4.26Å; L41-Y118 HydrophobicContact CD1-CD2 3.35Å; L41-Y118 HydrophobicContact CD1-CE1 4.21Å; L41-Y118 HydrophobicContact CD1-CE2 3.37Å; L41-Y118 HydrophobicContact CD1-CG 3.83Å; L41-Y118 HydrophobicContact CG-CD1 4.42Å; L41-Y118 HydrophobicContact CG-CD2 4.17Å; L41-Y118 HydrophobicContact CG-CE1 4Å; L41-Y118 HydrophobicContact CG-CE2 3.81Å; L41-Y118 HydrophobicContact CG-CG 4.47Å; L41-Y118 PolarHBondContact N-OH 3.23Å |
| 42 | S | 86.6 | Confident | 86.1 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | trans | -57 | 161.3 | 168.9 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | D44 L45 N47 | S42-D44 PolarHBondContact O-N 2.86Å; S42-L45 WeakPolarHBondContact O-CA 3.49Å; S42-L45 PolarHBondContact O-N 2.77Å; S42-N47 PolarHBondContact N-O 2.82Å | ||
| 43 | K | 81.1 | Confident | 85.8 | Confident | 209 Ų | 209 | 51.7 Ų | 51.7 | 91% | 0.909 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.7 | 179.4 | -70.2 | 179 | 178.9 | 175.2 | 0 | 112.7 | L45 | K43-L45 PolarHBondContact O-N 3.31Š|
| 44 | D | 83.1 | Confident | 85.8 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.3 | 177.2 | -62.5 | -87.8 | 0 | 0 | 0 | 114.4 | S42 K46 | S42-D44 PolarHBondContact O-N 2.86Å; D44-K46 HydrophobicContact CB-CB 4.4Å; D44-K46 WeakPolarHBondContact O-CG 3.45Å; D44-K46 PolarHBondContact O-N 2.84Å |
| 45 | L | 80.1 | Confident | 85.8 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 56.4 | 18 | -178 | -60.1 | 164.8 | 0 | 0 | 0 | 113.8 | V5 L41 S42 K43 I117 | V5-L45 WeakPolarHBondContact CG2-O 3.39Å; L41-L45 HydrophobicContact CB-CD2 3.94Å; L41-L45 HydrophobicContact CD1-CD2 3.95Å; S42-L45 WeakPolarHBondContact O-CA 3.49Å; S42-L45 PolarHBondContact O-N 2.77Å; K43-L45 PolarHBondContact O-N 3.31Å; L45-I117 HydrophobicContact CB-CD1 4.11Å; L45-I117 HydrophobicContact CB-CG2 4.31Å; L45-I117 HydrophobicContact CD1-CD1 3.6Å; L45-I117 HydrophobicContact CD2-CD1 4.43Å; L45-I117 HydrophobicContact CG-CD1 4.25Å |
| 46 | K | 83.2 | Confident | 85.8 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -108.7 | -15.3 | -177.1 | -75.8 | 173.4 | -173.5 | 176.6 | 0 | 113.8 | V5 K6 D44 | V5-K46 CarbonylContact C-O 3.5Å; V5-K46 VanDerWaalsContact CA-O 3.25Å; V5-K46 WeakPolarHBondContact CA-O 3.24Å; K6-K46 PolarHBondContact N-O 2.87Å; D44-K46 HydrophobicContact CB-CB 4.4Å; D44-K46 WeakPolarHBondContact O-CG 3.45Å; D44-K46 PolarHBondContact O-N 2.84Å |
| 47 | N | 87.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.1 | -177.5 | -58.2 | -69.4 | 0 | 0 | 0 | 109.5 | K6 T8 L41 S42 V49 | K6-N47 CarbonylContact O-C 3.52Å; K6-N47 VanDerWaalsContact O-CA 3.23Å; K6-N47 WeakPolarHBondContact O-CA 3.26Å; T8-N47 HydrophobicContact CG2-CB 4.27Å; L41-N47 WeakPolarHBondContact CA-O 3.37Å; S42-N47 PolarHBondContact N-O 2.82Å; N47-V49 HydrophobicContact CB-CG1 4.43Å |
| 48 | I | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.6 | 168.8 | -58.6 | 171.6 | 0 | 0 | 0 | 106.9 | V5 K6 V7 T8 V11 F39 L41 Y83 I125 | V5-I48 HydrophobicContact CG1-CD1 4.09Å; V5-I48 HydrophobicContact CG1-CG1 3.67Å; K6-I48 PolarHBondContact O-N 3.07Å; V7-I48 HydrophobicContact CG2-CD1 4.3Å; T8-I48 WeakPolarHBondContact CB-O 3.46Å; T8-I48 WeakPolarHBondContact CG2-O 3.44Å; T8-I48 PolarHBondContact N-O 3.31Å; T8-I48 PolarHBondContact OG1-O 2.9Å; V11-I48 HydrophobicContact CG2-CG2 4.35Å; F39-I48 HydrophobicContact CB-CG2 3.98Å; L41-I48 HydrophobicContact CD2-CG1 3.68Å; I48-Y83 HydrophobicContact CD1-CE2 3.95Å; I48-Y83 HydrophobicContact CG1-CE2 4.37Å; I48-Y83 HydrophobicContact CG2-CD2 4.32Å; I48-I125 HydrophobicContact CD1-CB 3.72Å; I48-I125 HydrophobicContact CD1-CD1 4.08Å; I48-I125 HydrophobicContact CD1-CG1 4.28Å; I48-I125 HydrophobicContact CD1-CG2 4.35Å; I48-I125 HydrophobicContact CG2-CD1 3.87Å |
| 49 | V | 90.6 | Very high | 84.6 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 161.7 | -178.4 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | T8 F39 C40 N47 | T8-V49 HydrophobicContact CG2-CG1 3.93Å; F39-V49 WeakPolarHBondContact CA-O 3.23Å; F39-V49 WeakPolarHBondContact CB-O 3.4Å; C40-V49 PolarHBondContact N-O 2.81Å; C40-V49 WeakPolarHBondContact O-CG2 3.35Å; C40-V49 PolarHBondContact O-N 2.83Å; C40-V49 VanDerWaalsContact O-O 3.05Å; N47-V49 HydrophobicContact CB-CG1 4.43Å |
| 50 | L | 89.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140 | 172.2 | -61.5 | 162.9 | 0 | 0 | 0 | 109.1 | E10 V11 V14 I37 F39 E52 | E10-L50 HydrophobicContact CB-CD1 3.71Å; E10-L50 HydrophobicContact CB-CG 4.41Å; V11-L50 HydrophobicContact CG2-CD2 4.21Å; V11-L50 HydrophobicContact CG2-CG 4.12Å; V14-L50 HydrophobicContact CB-CD2 4.22Å; V14-L50 HydrophobicContact CG2-CD1 4Å; V14-L50 HydrophobicContact CG2-CD2 3.9Å; I37-L50 HydrophobicContact CD1-CD2 3.39Å; I37-L50 HydrophobicContact CG1-CD2 4.3Å; F39-L50 HydrophobicContact CD1-CD2 3.63Å; F39-L50 HydrophobicContact CD1-CG 4.48Å; F39-L50 HydrophobicContact CE1-CD2 3.33Å; F39-L50 HydrophobicContact CZ-CD2 4.48Å; L50-E52 PolarHBondContact O-N 2.97Å |
| 51 | D | 86.2 | Confident | 83.5 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 93.3 | 171 | -156.6 | -102.3 | 0 | 0 | 0 | 108.2 | L38 C40 G53 K54 R82 | L38-D51 HydrophobicContact CB-CB 4.1Å; L38-D51 WeakPolarHBondContact O-CB 3.44Å; L38-D51 PolarHBondContact O-N 2.63Å; C40-D51 HydrophobicContact CB-CB 4.48Å; C40-D51 WeakPolarHBondContact CB-OD2 3.4Å; C40-D51 PolarHBondContact SG-OD2 2.73Å; D51-G53 PolarHBondContact O-N 2.93Å; D51-K54 HydrophobicContact CB-CB 4.25Å; D51-K54 PolarHBondContact O-N 3.47Å; D51-K54 WeakPolarHBondContact OD1-CB 3.4Å; D51-K54 VanDerWaalsContact OD1-CG 3.23Å; D51-K54 WeakPolarHBondContact OD1-CG 3.25Å; D51-R82 VanDerWaalsContact CG-NH2 3.3Å; D51-R82 IonicContact OD1-CZ 3.14Å; D51-R82 IonicContact OD1-NH1 2.64Å; D51-R82 PolarHBondContact OD1-NH1 2.9Å; D51-R82 IonicContact OD1-NH2 3.01Å; D51-R82 PolarHBondContact OD1-NH2 2.72Å; D51-R82 IonicContact OD2-CZ 3.11Å; D51-R82 IonicContact OD2-NE 3.78Å; D51-R82 IonicContact OD2-NH1 3.38Å; D51-R82 PolarHBondContact OD2-NH1 3.46Å; D51-R82 IonicContact OD2-NH2 2.84Å; D51-R82 PolarHBondContact OD2-NH2 3.11Å |
| 52 | E | 76.8 | Confident | 82.6 | Confident | 189 Ų | 189 | 65.1 Ų | 65.1 | 88% | 0.883 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 124.2 | -178 | -70.6 | -179.3 | 84.4 | 0 | 0 | 111.1 | L50 | L50-E52 PolarHBondContact O-N 2.97Å |
| 53 | G | 73.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 68% | 0.68 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 87.8 | 0 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D51 | D51-G53 PolarHBondContact O-N 2.93Å |
| 54 | K | 82.6 | Confident | 81.2 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 61.4 | 174 | -63.6 | -133.8 | -153.1 | 165.8 | 0 | 111.7 | L38 D51 M75 | L38-K54 HydrophobicContact CB-CB 4.05Å; L38-K54 HydrophobicContact CD1-CB 4.06Å; L38-K54 WeakPolarHBondContact CD1-O 3.49Å; L38-K54 HydrophobicContact CG-CB 4.42Å; L38-K54 PolarHBondContact N-O 3.39Å; D51-K54 HydrophobicContact CB-CB 4.25Å; D51-K54 PolarHBondContact O-N 3.47Å; D51-K54 WeakPolarHBondContact OD1-CB 3.4Å; D51-K54 VanDerWaalsContact OD1-CG 3.23Å; D51-K54 WeakPolarHBondContact OD1-CG 3.25Å; K54-M75 HydrophobicContact CB-SD 4.15Å; K54-M75 HydrophobicContact CD-CB 3.85Å; K54-M75 HydrophobicContact CD-CG 4.25Å; K54-M75 VanDerWaalsContact CD-O 3.27Å; K54-M75 WeakPolarHBondContact CD-O 3.16Å; K54-M75 PolarHBondContact NZ-O 2.72Å |
| 55 | E | 87.2 | Confident | 80.8 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.1 | 171.3 | 65.1 | -172.5 | 109.3 | 0 | 0 | 110 | K34 A36 I37 | K34-E55 WeakPolarHBondContact CD-OE2 3.46Å; K34-E55 WeakPolarHBondContact CE-OE2 3.21Å; K34-E55 IonicContact NZ-OE1 2.82Å; K34-E55 IonicContact NZ-OE2 3.72Å; K34-E55 PolarHBondContact NZ-OE2 3.03Å; A36-E55 CarbonylContact O-C 3.55Å; A36-E55 WeakPolarHBondContact O-CA 3.4Å; I37-E55 HydrophobicContact CB-CB 4.22Å; I37-E55 HydrophobicContact CD1-CB 4.3Å; I37-E55 HydrophobicContact CG1-CB 4.02Å |
| 56 | I | 86.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.8 | 177.1 | -58.4 | 176.9 | 0 | 0 | 0 | 106.7 | K34 K35 A36 I61 P68 D71 F72 M75 | K34-I56 CarbonylContact C-O 3.55Å; K35-I56 WeakPolarHBondContact CA-O 3.21Å; K35-I56 HydrophobicContact CB-CG2 4.27Å; K35-I56 WeakPolarHBondContact CB-O 3Å; K35-I56 PolarHBondContact N-O 3.2Å; A36-I56 HydrophobicContact CB-CB 3.95Å; A36-I56 HydrophobicContact CB-CD1 4.03Å; A36-I56 HydrophobicContact CB-CG1 4.15Å; A36-I56 PolarHBondContact N-O 3.23Å; A36-I56 VanDerWaalsContact N-O 3.11Å; A36-I56 PolarHBondContact O-N 3.31Å; I56-I61 HydrophobicContact CG2-CG1 4.44Å; I56-P68 WeakPolarHBondContact CD1-O 2.91Å; I56-P68 HydrophobicContact CG2-CB 4.47Å; I56-D71 HydrophobicContact CD1-CB 4.14Å; I56-F72 HydrophobicContact CD1-CB 3.83Å; I56-M75 HydrophobicContact CD1-CE 4.14Å; I56-M75 HydrophobicContact CD1-SD 4.4Å; I56-M75 HydrophobicContact CG1-CE 3.56Å; I56-M75 HydrophobicContact CG1-SD 4.04Å |
| 57 | L | 86.6 | Confident | 80.2 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 145.4 | 175.5 | -57.7 | 178.3 | 0 | 0 | 0 | 110.1 | R33 K34 G59 D60 | R33-L57 CarbonylContact O-C 3.43Å; R33-L57 WeakPolarHBondContact O-CA 3.25Å; K34-L57 HydrophobicContact CG-CD2 3.92Å; L57-G59 PolarHBondContact O-N 3.41Å; L57-D60 WeakPolarHBondContact O-CB 3.2Å; L57-D60 PolarHBondContact O-N 2.95Å; L57-D60 VanDerWaalsContact O-N 3.08Å |
| 58 | L | 81.4 | Confident | 79.9 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.4 | 174 | -95.4 | 166.1 | 0 | 0 | 0 | 111.6 | R33 K35 D60 I61 | R33-L58 HydrophobicContact CB-CB 4.23Å; R33-L58 HydrophobicContact CB-CD1 3.55Å; R33-L58 HydrophobicContact CB-CG 4.35Å; R33-L58 HydrophobicContact CG-CD1 4.39Å; R33-L58 PolarHBondContact O-N 2.91Å; K35-L58 HydrophobicContact CB-CG 4.12Å; K35-L58 HydrophobicContact CD-CD2 3.69Å; K35-L58 HydrophobicContact CD-CG 3.99Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.99Å; L58-I61 HydrophobicContact CD2-CD1 3.91Å; L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.23Å |
| 59 | G | 78.3 | Confident | 79.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R31 L57 I61 | R31-G59 WeakPolarHBondContact O-CA 3.41Å; R31-G59 PolarHBondContact O-N 3.36Å; L57-G59 PolarHBondContact O-N 3.41Å; G59-I61 VanDerWaalsContact C-N 3.32Å |
| 60 | D | 80.1 | Confident | 79 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.9 | 173.3 | -86.9 | -76.6 | 0 | 0 | 0 | 111.8 | L57 L58 G62 N63 T64 V65 | L57-D60 WeakPolarHBondContact O-CB 3.2Å; L57-D60 PolarHBondContact O-N 2.95Å; L57-D60 VanDerWaalsContact O-N 3.08Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.99Å; D60-G62 PolarHBondContact O-N 3.24Å; D60-N63 PolarHBondContact O-N 3.07Å; D60-N63 VanDerWaalsContact O-N 3.07Å; D60-T64 PolarHBondContact O-N 2.93Å; D60-T64 WeakPolarHBondContact OD1-CB 3.21Å; D60-T64 PolarHBondContact OD1-OG1 2.93Å; D60-V65 HydrophobicContact CB-CB 4.41Å; D60-V65 HydrophobicContact CB-CG2 4.01Å; D60-V65 PolarHBondContact O-N 3.15Å |
| 61 | I | 76.2 | Confident | 78.8 | Confident | 49 Ų | 49 | 63 Ų | 63 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 121.2 | 178.7 | -50.7 | 175.7 | 0 | 0 | 0 | 109.7 | K35 I56 L58 G59 N63 V65 P68 | K35-I61 HydrophobicContact CB-CD1 3.86Å; K35-I61 HydrophobicContact CD-CD1 3.76Å; K35-I61 HydrophobicContact CG-CD1 3.5Å; K35-I61 VanDerWaalsContact CG-CD1 3.5Å; I56-I61 HydrophobicContact CG2-CG1 4.44Å; L58-I61 HydrophobicContact CD2-CD1 3.91Å; L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.23Å; G59-I61 VanDerWaalsContact C-N 3.32Å; I61-N63 VanDerWaalsContact C-N 3.3Å; I61-V65 CarbonylContact C-O 3.54Å; I61-V65 VanDerWaalsContact CA-O 3.3Å; I61-V65 WeakPolarHBondContact CA-O 3.47Å; I61-P68 HydrophobicContact CD1-CB 3.89Å; I61-P68 HydrophobicContact CD1-CG 4.03Å; I61-P68 HydrophobicContact CG1-CB 4.07Å; I61-P68 HydrophobicContact CG1-CG 4.37Å; I61-P68 HydrophobicContact CG2-CG 4.17Å |
| 62 | G | 67.4 | Low | 78.7 | Confident | 71 Ų | 71 | 62 Ų | 62 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -7.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D60 V65 | D60-G62 PolarHBondContact O-N 3.24Å; G62-V65 PolarHBondContact N-O 3.49Å |
| 63 | N | 71.4 | Confident | 79 | Confident | 131 Ų | 131 | 53.6 Ų | 53.6 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -70.1 | 173.4 | -169.6 | 66.1 | 0 | 0 | 0 | 111.4 | D60 I61 | D60-N63 PolarHBondContact O-N 3.07Å; D60-N63 VanDerWaalsContact O-N 3.07Å; I61-N63 VanDerWaalsContact C-N 3.3Å |
| 64 | T | 68.6 | Low | 79.5 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 61% | 0.613 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -38 | 179.8 | -42.9 | 0 | 0 | 0 | 0 | 110.9 | D60 | D60-T64 PolarHBondContact O-N 2.93Å; D60-T64 WeakPolarHBondContact OD1-CB 3.21Å; D60-T64 PolarHBondContact OD1-OG1 2.93Å |
| 65 | V | 74.3 | Confident | 79.5 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -106.1 | 105.4 | -175.8 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | D60 I61 G62 P68 D71 | D60-V65 HydrophobicContact CB-CB 4.41Å; D60-V65 HydrophobicContact CB-CG2 4.01Å; D60-V65 PolarHBondContact O-N 3.15Å; I61-V65 CarbonylContact C-O 3.54Å; I61-V65 VanDerWaalsContact CA-O 3.3Å; I61-V65 WeakPolarHBondContact CA-O 3.47Å; G62-V65 PolarHBondContact N-O 3.49Å; V65-P68 HydrophobicContact CG1-CB 4.32Å; V65-D71 HydrophobicContact CG1-CB 3.79Å |
| 66 | K | 71.4 | Confident | 79.4 | Confident | 191 Ų | 191 | 54 Ų | 54 | 83% | 0.83 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -67.6 | -48.7 | 174.7 | -90.4 | -179.7 | 170.2 | 179.8 | 0 | 111.5 | ||
| 67 | D | 79.1 | Confident | 79.2 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | trans | -123.3 | 101.6 | -176.3 | -76.3 | -91.7 | 0 | 0 | 0 | 109.1 | Y69 E70 D71 R147 | D67-Y69 PolarHBondContact O-N 2.91Å; D67-E70 HydrophobicContact CB-CB 3.91Å; D67-E70 HydrophobicContact CB-CG 4.06Å; D67-E70 PolarHBondContact O-N 2.78Å; D67-D71 PolarHBondContact O-N 2.75Å; D67-R147 IonicContact OD1-CZ 3.53Å; D67-R147 IonicContact OD1-NH1 3.46Å; D67-R147 PolarHBondContact OD1-NH1 2.97Å; D67-R147 IonicContact OD1-NH2 2.72Å; D67-R147 PolarHBondContact OD1-NH2 3.32Å | ||
| 68 | P | 80.8 | Confident | 78.9 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.032 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -32.9 | -177.5 | 23.1 | -32.1 | 0 | 0 | 0 | 111.8 | K35 I56 I61 V65 F72 E163 | K35-P68 HydrophobicContact CG-CB 4.5Å; I56-P68 WeakPolarHBondContact CD1-O 2.91Å; I56-P68 HydrophobicContact CG2-CB 4.47Å; I61-P68 HydrophobicContact CD1-CB 3.89Å; I61-P68 HydrophobicContact CD1-CG 4.03Å; I61-P68 HydrophobicContact CG1-CB 4.07Å; I61-P68 HydrophobicContact CG1-CG 4.37Å; I61-P68 HydrophobicContact CG2-CG 4.17Å; V65-P68 HydrophobicContact CG1-CB 4.32Å; P68-F72 WeakPolarHBondContact O-CB 3.07Å; P68-F72 PolarHBondContact O-N 2.95Å; P68-E163 HydrophobicContact CG-CB 4.42Å; P68-E163 HydrophobicContact CG-CG 4.25Å; P68-E163 WeakPolarHBondContact CG-OE2 3.39Å |
| 69 | Y | 80.4 | Confident | 79 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68 | -46 | 177.4 | -170.4 | -103.4 | 0 | 0 | 0 | 112.3 | D67 F72 V73 W136 L144 E146 R147 L150 | D67-Y69 PolarHBondContact O-N 2.91Å; Y69-F72 WeakPolarHBondContact O-CB 3.44Å; Y69-F72 PolarHBondContact O-N 2.86Å; Y69-V73 HydrophobicContact CD1-CG2 4.31Å; Y69-V73 HydrophobicContact CE1-CG2 4.35Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 2.71Å; Y69-W136 HydrophobicContact CE2-CH2 4.3Å; Y69-W136 HydrophobicContact CE2-CZ3 4.13Å; Y69-W136 VanDerWaalsContact OH-CH2 3.3Å; Y69-W136 WeakPolarHBondContact OH-CH2 3.42Å; Y69-L144 WeakPolarHBondContact CE1-O 3.37Å; Y69-L144 PolarHBondContact OH-O 3.01Å; Y69-E146 PolarHBondContact OH-O 3.24Å; Y69-R147 HydrophobicContact CD1-CG 3.8Å; Y69-R147 HydrophobicContact CE1-CG 3.7Å; Y69-R147 HydrophobicContact CG-CG 4.48Å; Y69-L150 HydrophobicContact CD2-CD2 4.03Å; Y69-L150 HydrophobicContact CE2-CB 4.32Å; Y69-L150 HydrophobicContact CE2-CD2 3.72Å |
| 70 | E | 82.1 | Confident | 79.2 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 177.7 | -75.5 | -175.5 | 68.6 | 0 | 0 | 112.3 | D67 F72 V73 K74 R147 | D67-E70 HydrophobicContact CB-CB 3.91Å; D67-E70 HydrophobicContact CB-CG 4.06Å; D67-E70 PolarHBondContact O-N 2.78Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-V73 PolarHBondContact O-N 2.78Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.3Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-R147 IonicContact OE2-NH2 3.39Å; E70-R147 PolarHBondContact OE2-NH2 3.19Å |
| 71 | D | 84.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 176.5 | -151.6 | -103.2 | 0 | 0 | 0 | 110.8 | I56 V65 D67 V73 K74 M75 | I56-D71 HydrophobicContact CD1-CB 4.14Å; V65-D71 HydrophobicContact CG1-CB 3.79Å; D67-D71 PolarHBondContact O-N 2.75Å; D71-V73 PolarHBondContact O-N 2.96Å; D71-K74 WeakPolarHBondContact O-CB 3.42Å; D71-K74 PolarHBondContact O-N 2.78Å; D71-K74 VanDerWaalsContact O-N 3.1Å; D71-M75 WeakPolarHBondContact O-CG 3.5Å; D71-M75 PolarHBondContact O-N 2.85Å; D71-M75 WeakPolarHBondContact OD1-CE 3.47Å |
| 72 | F | 84.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 171.7 | 176.1 | -107.3 | 0 | 0 | 0 | 112.3 | A36 L38 I56 P68 Y69 E70 K74 M75 L76 A84 Y86 I103 L144 | A36-F72 HydrophobicContact CB-CD2 3.99Å; L38-F72 HydrophobicContact CD1-CD2 3.9Å; L38-F72 HydrophobicContact CD1-CE2 3.75Å; L38-F72 HydrophobicContact CG-CE2 4.12Å; I56-F72 HydrophobicContact CD1-CB 3.83Å; P68-F72 WeakPolarHBondContact O-CB 3.07Å; P68-F72 PolarHBondContact O-N 2.95Å; Y69-F72 WeakPolarHBondContact O-CB 3.44Å; Y69-F72 PolarHBondContact O-N 2.86Å; E70-F72 VanDerWaalsContact C-N 3.34Å; F72-K74 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.24Å; F72-M75 WeakPolarHBondContact O-CB 3.47Å; F72-M75 PolarHBondContact O-N 2.8Å; F72-L76 HydrophobicContact CD1-CD1 4.27Å; F72-L76 HydrophobicContact CE1-CD1 3.77Å; F72-L76 HydrophobicContact CZ-CD1 3.95Å; F72-L76 HydrophobicContact CZ-CD2 4.31Å; F72-L76 HydrophobicContact CZ-CG 4.38Å; F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 3.27Å; F72-A84 HydrophobicContact CE2-CB 3.41Å; F72-A84 VanDerWaalsContact CE2-CB 3.41Å; F72-A84 HydrophobicContact CZ-CB 3.41Å; F72-A84 VanDerWaalsContact CZ-CB 3.41Å; F72-Y86 HydrophobicContact CB-CE2 4.48Å; F72-Y86 HydrophobicContact CG-CD2 4.3Å; F72-I103 HydrophobicContact CE1-CD1 3.6Å; F72-I103 HydrophobicContact CE1-CG2 4.48Å; F72-I103 HydrophobicContact CZ-CB 4.45Å; F72-I103 HydrophobicContact CZ-CD1 3.84Å; F72-I103 HydrophobicContact CZ-CG2 4.39Å; F72-L144 HydrophobicContact CD1-CD2 3.74Å; F72-L144 HydrophobicContact CE1-CD1 4.26Å; F72-L144 HydrophobicContact CE1-CD2 3.77Å |
| 73 | V | 83.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | Y69 E70 D71 M75 L76 L141 L144 K145 | Y69-V73 HydrophobicContact CD1-CG2 4.31Å; Y69-V73 HydrophobicContact CE1-CG2 4.35Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 2.71Å; E70-V73 PolarHBondContact O-N 2.78Å; D71-V73 PolarHBondContact O-N 2.96Å; V73-M75 VanDerWaalsContact C-N 3.29Å; V73-M75 PolarHBondContact O-N 2.7Å; V73-L76 PolarHBondContact O-N 3.14Å; V73-L141 HydrophobicContact CG1-CD2 3.97Å; V73-L144 HydrophobicContact CB-CD2 3.99Å; V73-L144 HydrophobicContact CG1-CD2 4.34Å; V73-L144 HydrophobicContact CG2-CD2 3.23Å; V73-L144 HydrophobicContact CG2-CG 4.46Å; V73-L144 WeakPolarHBondContact CG2-O 3.47Å; V73-K145 HydrophobicContact CG1-CG 4.35Å |
| 74 | K | 83 | Confident | 82.3 | Confident | 157 Ų | 157 | 48.1 Ų | 48.1 | 68% | 0.683 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.2 | -29.5 | 179.1 | -71 | 170.5 | -175.5 | 171.8 | 0 | 112.7 | E70 D71 F72 L76 | E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.3Å; E70-K74 PolarHBondContact O-N 3.23Å; D71-K74 WeakPolarHBondContact O-CB 3.42Å; D71-K74 PolarHBondContact O-N 2.78Å; D71-K74 VanDerWaalsContact O-N 3.1Å; F72-K74 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.24Å; K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.59Å |
| 75 | M | 83.2 | Confident | 83.3 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.8 | -21.2 | 175.3 | -72.4 | -166.9 | -170.5 | 0 | 0 | 112.8 | L38 K54 I56 D71 F72 V73 | L38-M75 HydrophobicContact CD1-CB 4.14Å; L38-M75 HydrophobicContact CD1-SD 4.15Å; L38-M75 HydrophobicContact CD2-CB 4.47Å; K54-M75 HydrophobicContact CB-SD 4.15Å; K54-M75 HydrophobicContact CD-CB 3.85Å; K54-M75 HydrophobicContact CD-CG 4.25Å; K54-M75 VanDerWaalsContact CD-O 3.27Å; K54-M75 WeakPolarHBondContact CD-O 3.16Å; K54-M75 PolarHBondContact NZ-O 2.72Å; I56-M75 HydrophobicContact CD1-CE 4.14Å; I56-M75 HydrophobicContact CD1-SD 4.4Å; I56-M75 HydrophobicContact CG1-CE 3.56Å; I56-M75 HydrophobicContact CG1-SD 4.04Å; D71-M75 WeakPolarHBondContact O-CG 3.5Å; D71-M75 PolarHBondContact O-N 2.85Å; D71-M75 WeakPolarHBondContact OD1-CE 3.47Å; F72-M75 WeakPolarHBondContact O-CB 3.47Å; F72-M75 PolarHBondContact O-N 2.8Å; V73-M75 VanDerWaalsContact C-N 3.29Å; V73-M75 PolarHBondContact O-N 2.7Å |
| 76 | L | 83.6 | Confident | 84 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -80.3 | 126.4 | -176.8 | -68.9 | 165.8 | 0 | 0 | 0 | 112 | L38 F72 V73 K74 W105 L144 | L38-L76 HydrophobicContact CD2-CD2 3.45Å; L38-L76 VanDerWaalsContact CD2-CD2 3.45Å; L38-L76 HydrophobicContact CD2-CG 4.19Å; L38-L76 HydrophobicContact CG-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CD1 4.27Å; F72-L76 HydrophobicContact CE1-CD1 3.77Å; F72-L76 HydrophobicContact CZ-CD1 3.95Å; F72-L76 HydrophobicContact CZ-CD2 4.31Å; F72-L76 HydrophobicContact CZ-CG 4.38Å; F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 3.27Å; V73-L76 PolarHBondContact O-N 3.14Å; K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.59Å; L76-W105 HydrophobicContact CB-CD2 4.24Å; L76-W105 HydrophobicContact CB-CG 4.44Å; L76-W105 HydrophobicContact CB-CZ2 4.43Å; L76-W105 HydrophobicContact CD1-CD2 4.07Å; L76-W105 HydrophobicContact CD1-CE3 4.04Å; L76-W105 HydrophobicContact CD1-CG 4.36Å; L76-W105 HydrophobicContact CD2-CB 3.84Å; L76-W105 HydrophobicContact CD2-CD2 4.21Å; L76-W105 HydrophobicContact CD2-CG 3.7Å; L76-W105 HydrophobicContact CG-CD2 4.43Å; L76-W105 HydrophobicContact CG-CG 4.41Å; L76-L144 HydrophobicContact CD1-CD1 3.37Å; L76-L144 HydrophobicContact CD1-CD2 3.72Å; L76-L144 HydrophobicContact CD1-CG 4.22Å |
| 77 | P | 82.5 | Confident | 84.8 | Confident | 25 Ų | 25 | 34 Ų | 34 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | trans | -76.1 | 135 | 178.5 | 30.2 | -32.7 | 0 | 0 | 0 | 111 | N79 D80 R82 W105 | P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.96Å; P77-D80 HydrophobicContact CB-CB 4.08Å; P77-D80 HydrophobicContact CG-CB 3.67Å; P77-R82 HydrophobicContact CG-CG 4.19Å; P77-W105 PolarHBondContact O-NE1 3.05Å | ||
| 78 | P | 80.4 | Confident | 85.1 | Confident | 68 Ų | 68 | 31.7 Ų | 31.7 | 44% | 0.442 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.2 | 177.8 | 28 | -34.4 | 0 | 0 | 0 | 113.6 | P107 L141 | P78-P107 VanDerWaalsContact O-CB 3.26Å; P78-P107 WeakPolarHBondContact O-CB 3.32Å; P78-P107 WeakPolarHBondContact O-CG 3.48Å; P78-L141 HydrophobicContact CB-CD1 4.46Å |
| 79 | N | 83 | Confident | 85.4 | Confident | 100 Ų | 100 | 32 Ų | 32 | 54% | 0.535 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 1.4 | -175.6 | -65.7 | -33.6 | 0 | 0 | 0 | 113.9 | P77 A110 P111 | P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.96Å; N79-A110 WeakPolarHBondContact O-CA 3.39Å; N79-P111 VanDerWaalsContact O-CD 3.3Å; N79-P111 WeakPolarHBondContact O-CD 3.24Å |
| 80 | D | 83.8 | Confident | 85.6 | Confident | 77 Ų | 77 | 32.5 Ų | 32.5 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -137.7 | 148.4 | -175.8 | -96.3 | -72.5 | 0 | 0 | 0 | 112 | P77 W105 P107 | P77-D80 HydrophobicContact CB-CB 4.08Å; P77-D80 HydrophobicContact CG-CB 3.67Å; D80-W105 VanDerWaalsContact O-CD1 3.23Å; D80-W105 PolarHBondContact O-NE1 2.79Å; D80-P107 VanDerWaalsContact O-CD 3.32Å; D80-P107 WeakPolarHBondContact O-CD 3.42Å; D80-P107 WeakPolarHBondContact O-CG 3.42Å |
| 81 | C | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -85.4 | 146.8 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | W105 A110 K115 Y118 | C81-W105 CarbonylContact C-O 3.54Å; C81-W105 WeakPolarHBondContact CA-O 3.23Å; C81-W105 WeakPolarHBondContact CB-O 3.25Å; C81-A110 VanDerWaalsContact SG-CB 3.58Å; C81-K115 WeakPolarHBondContact SG-CG 3.49Å; C81-Y118 HydrophobicContact CB-CD1 4.08Å; C81-Y118 HydrophobicContact CB-CD2 3.56Å; C81-Y118 HydrophobicContact CB-CE1 4.36Å; C81-Y118 HydrophobicContact CB-CE2 3.79Å; C81-Y118 HydrophobicContact CB-CG 3.73Å; C81-Y118 WeakPolarHBondContact O-CE2 3.34Å; C81-Y118 PolarHBondContact O-OH 2.85Å | ||
| 82 | R | 90.8 | Very high | 85.8 | Confident | 33 Ų | 33 | 30.8 Ų | 30.8 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157 | 175.1 | -68.1 | -170.4 | 175.4 | -159.1 | -12.8 | 110.7 | L38 D51 P77 W105 | L38-R82 HydrophobicContact CD2-CB 4.48Å; D51-R82 VanDerWaalsContact CG-NH2 3.3Å; D51-R82 IonicContact OD1-CZ 3.14Å; D51-R82 IonicContact OD1-NH1 2.64Å; D51-R82 PolarHBondContact OD1-NH1 2.9Å; D51-R82 IonicContact OD1-NH2 3.01Å; D51-R82 PolarHBondContact OD1-NH2 2.72Å; D51-R82 IonicContact OD2-CZ 3.11Å; D51-R82 IonicContact OD2-NE 3.78Å; D51-R82 IonicContact OD2-NH1 3.38Å; D51-R82 PolarHBondContact OD2-NH1 3.46Å; D51-R82 IonicContact OD2-NH2 2.84Å; D51-R82 PolarHBondContact OD2-NH2 3.11Å; P77-R82 HydrophobicContact CG-CG 4.19Å; R82-W105 PolarHBondContact N-O 2.85Å; R82-W105 WeakPolarHBondContact O-CA 3.43Å; R82-W105 WeakPolarHBondContact O-CB 3.23Å; R82-W105 PolarHBondContact O-N 3.31Å |
| 83 | Y | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.4 | 161.2 | -52.9 | -70.6 | 0 | 0 | 0 | 108.9 | L38 F39 I48 F102 I103 F104 Y118 K122 I125 | L38-Y83 CarbonylContact C-O 3.59Å; L38-Y83 WeakPolarHBondContact CA-O 3.27Å; F39-Y83 PolarHBondContact N-O 2.71Å; F39-Y83 PolarHBondContact O-N 2.79Å; I48-Y83 HydrophobicContact CD1-CE2 3.95Å; I48-Y83 HydrophobicContact CG1-CE2 4.37Å; I48-Y83 HydrophobicContact CG2-CD2 4.32Å; Y83-F102 HydrophobicContact CD1-CE1 4.14Å; Y83-F102 HydrophobicContact CD1-CE2 4.07Å; Y83-F102 AromaticContact CD1-CZ 3.34Å; Y83-F102 HydrophobicContact CD1-CZ 3.34Å; Y83-F102 AromaticContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CG-CE2 4.19Å; Y83-F102 AromaticContact CG-CZ 3.9Å; Y83-F102 HydrophobicContact CG-CZ 3.9Å; Y83-I103 CarbonylContact C-O 3.53Å; Y83-I103 WeakPolarHBondContact CA-O 3.2Å; Y83-F104 HydrophobicContact CD1-CB 4.38Å; Y83-F104 AromaticContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CD2 3.5Å; Y83-F104 VanDerWaalsContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CE2 4.18Å; Y83-F104 HydrophobicContact CD1-CG 4.22Å; Y83-F104 AromaticContact CE1-CD2 3.4Å; Y83-F104 HydrophobicContact CE1-CD2 3.4Å; Y83-F104 AromaticContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CG 4.13Å; Y83-Y118 HydrophobicContact CD1-CD1 4.38Å; Y83-Y118 AromaticContact CD2-CD1 3.82Å; Y83-Y118 HydrophobicContact CD2-CD1 3.82Å; Y83-Y118 AromaticContact CD2-CE1 3.75Å; Y83-Y118 HydrophobicContact CD2-CE1 3.75Å; Y83-Y118 AromaticContact CE1-CD1 3.92Å; Y83-Y118 HydrophobicContact CE1-CD1 3.92Å; Y83-Y118 AromaticContact CE2-CD1 3.28Å; Y83-Y118 HydrophobicContact CE2-CD1 3.28Å; Y83-Y118 AromaticContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CG 4.35Å; Y83-Y118 HydrophobicContact CG-CD1 4.35Å; Y83-Y118 HydrophobicContact CG-CE1 4.44Å; Y83-Y118 AromaticContact CZ-CD1 3.36Å; Y83-Y118 VanDerWaalsContact OH-CA 3.25Å; Y83-Y118 WeakPolarHBondContact OH-CA 3.3Å; Y83-Y118 PolarHBondContact OH-O 3.35Å; Y83-K122 HydrophobicContact CE1-CB 4.41Å; Y83-K122 PolarHBondContact OH-N 2.88Å; Y83-I125 HydrophobicContact CD2-CD1 4.23Å; Y83-I125 HydrophobicContact CG-CD1 4.41Å |
| 84 | A | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I37 L38 F72 I103 | I37-A84 CarbonylContact O-C 3.49Å; I37-A84 WeakPolarHBondContact O-CA 3.46Å; I37-A84 WeakPolarHBondContact O-CB 3.48Å; L38-A84 HydrophobicContact CG-CB 4.21Å; F72-A84 HydrophobicContact CE2-CB 3.41Å; F72-A84 VanDerWaalsContact CE2-CB 3.41Å; F72-A84 HydrophobicContact CZ-CB 3.41Å; F72-A84 VanDerWaalsContact CZ-CB 3.41Å; A84-I103 HydrophobicContact CB-CB 4.2Å; A84-I103 PolarHBondContact N-O 2.89Å; A84-I103 PolarHBondContact O-N 2.99Å |
| 85 | L | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.5 | 163.6 | -78.1 | 170.3 | 0 | 0 | 0 | 107.6 | F15 M18 A36 I37 F39 F102 F129 I132 | F15-L85 HydrophobicContact CB-CD1 4.02Å; F15-L85 HydrophobicContact CD2-CD1 3.53Å; F15-L85 HydrophobicContact CD2-CD2 4.33Å; F15-L85 HydrophobicContact CE2-CD1 4.48Å; F15-L85 HydrophobicContact CG-CD1 4.22Å; M18-L85 HydrophobicContact CE-CB 4.35Å; M18-L85 HydrophobicContact SD-CB 4.15Å; A36-L85 CarbonylContact C-O 3.48Å; A36-L85 VanDerWaalsContact CA-O 3.23Å; A36-L85 WeakPolarHBondContact CA-O 3.32Å; I37-L85 HydrophobicContact CG2-CB 3.99Å; I37-L85 PolarHBondContact N-O 3.14Å; I37-L85 PolarHBondContact O-N 2.88Å; F39-L85 HydrophobicContact CE2-CB 3.97Å; F39-L85 HydrophobicContact CE2-CD1 3.78Å; F39-L85 HydrophobicContact CE2-CG 3.7Å; F39-L85 HydrophobicContact CZ-CB 4.39Å; F39-L85 HydrophobicContact CZ-CD1 3.73Å; F39-L85 HydrophobicContact CZ-CG 4.16Å; L85-F102 HydrophobicContact CD2-CB 4.13Å; L85-F102 HydrophobicContact CD2-CD2 3.99Å; L85-F102 HydrophobicContact CG-CD2 4.45Å; L85-F129 HydrophobicContact CD1-CD2 4.22Å; L85-F129 HydrophobicContact CD1-CE1 4.34Å; L85-F129 HydrophobicContact CD1-CE2 3.54Å; L85-F129 HydrophobicContact CD1-CZ 3.6Å; L85-F129 HydrophobicContact CD2-CD2 4.19Å; L85-F129 HydrophobicContact CD2-CE2 4.04Å; L85-F129 HydrophobicContact CG-CD2 4.49Å; L85-F129 HydrophobicContact CG-CE2 3.85Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; L85-I132 HydrophobicContact CD2-CD1 3.39Å |
| 86 | Y | 88.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.1 | 179.5 | -171.5 | -91.4 | 0 | 0 | 0 | 108.1 | A36 F72 A88 V101 I103 L150 E163 | A36-Y86 HydrophobicContact CB-CD2 3.58Å; A36-Y86 HydrophobicContact CB-CE2 4.08Å; F72-Y86 HydrophobicContact CB-CE2 4.48Å; F72-Y86 HydrophobicContact CG-CD2 4.3Å; Y86-A88 HydrophobicContact CD1-CB 3.79Å; Y86-A88 HydrophobicContact CE1-CB 3.85Å; Y86-A88 PolarHBondContact O-N 2.8Å; Y86-V101 PolarHBondContact N-O 2.66Å; Y86-V101 PolarHBondContact O-N 2.99Å; Y86-I103 HydrophobicContact CG-CD1 4.26Å; Y86-L150 HydrophobicContact CD1-CD2 4.33Å; Y86-L150 HydrophobicContact CE1-CD2 4.12Å; Y86-E163 WeakPolarHBondContact OH-CG 3.3Å; Y86-E163 PolarHBondContact OH-OE2 2.87Å |
| 87 | D | 88.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 99.1 | 170 | -178.7 | -94.5 | 0 | 0 | 0 | 107.5 | M18 R21 K35 L100 | M18-D87 HydrophobicContact CE-CB 4.39Å; R21-D87 IonicContact CZ-OD2 3.4Å; R21-D87 IonicContact NE-OD2 3.96Å; R21-D87 IonicContact NH2-OD2 3.91Å; R21-D87 PolarHBondContact NH2-OD2 2.92Å; K35-D87 HydrophobicContact CD-CB 4.33Å; K35-D87 VanDerWaalsContact CD-O 3.3Å; K35-D87 WeakPolarHBondContact CD-O 3.49Å; K35-D87 WeakPolarHBondContact CE-O 3.21Å; K35-D87 PolarHBondContact NZ-O 3.43Å; K35-D87 IonicContact NZ-OD1 2.71Å; K35-D87 PolarHBondContact O-N 3.4Å; D87-L100 HydrophobicContact CB-CD2 4.08Å |
| 88 | A | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y86 E98 D99 V101 L150 L154 | Y86-A88 HydrophobicContact CD1-CB 3.79Å; Y86-A88 HydrophobicContact CE1-CB 3.85Å; Y86-A88 PolarHBondContact O-N 2.8Å; A88-E98 CarbonylContact O-C 3.5Å; A88-E98 VanDerWaalsContact O-CA 3.23Å; A88-E98 WeakPolarHBondContact O-CA 3.13Å; A88-D99 PolarHBondContact N-O 3.13Å; A88-D99 PolarHBondContact O-N 3.37Å; A88-V101 HydrophobicContact CB-CG2 4Å; A88-L150 HydrophobicContact CB-CD2 4.3Å; A88-L154 HydrophobicContact CB-CD1 3.43Å; A88-L154 VanDerWaalsContact CB-CD1 3.43Å; A88-L154 HydrophobicContact CB-CD2 4.09Å; A88-L154 HydrophobicContact CB-CG 4.34Å |
| 89 | T | 85.9 | Confident | 85.7 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.3 | 171.3 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | K35 K96 K97 E98 E163 | K35-T89 PolarHBondContact NZ-OG1 2.88Å; T89-K96 HydrophobicContact CG2-CD 4.31Å; T89-K96 HydrophobicContact CG2-CG 4.24Å; T89-K97 WeakPolarHBondContact CA-O 3.38Å; T89-E98 HydrophobicContact CG2-CG 3.76Å; T89-E163 WeakPolarHBondContact CA-OE1 3.25Å; T89-E163 VanDerWaalsContact CB-OE1 3.26Å; T89-E163 WeakPolarHBondContact CB-OE1 3.25Å; T89-E163 PolarHBondContact N-OE1 2.8Å; T89-E163 PolarHBondContact O-N 3.07Å |
| 90 | Y | 85.7 | Confident | 85.9 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.7 | -179 | 63.9 | -85.2 | 0 | 0 | 0 | 110.6 | T92 K97 D99 L154 I159 T161 | Y90-T92 HydrophobicContact CD2-CG2 4.24Å; Y90-T92 HydrophobicContact CE2-CG2 4.22Å; Y90-K97 HydrophobicContact CD1-CB 4.47Å; Y90-K97 HydrophobicContact CD2-CB 4.27Å; Y90-K97 HydrophobicContact CE1-CB 3.94Å; Y90-K97 HydrophobicContact CE2-CB 3.78Å; Y90-K97 HydrophobicContact CE2-CD 4.32Å; Y90-K97 PolarHBondContact N-O 3.23Å; Y90-K97 CarbonylContact O-C 3.5Å; Y90-K97 PolarHBondContact O-N 2.79Å; Y90-D99 HydrophobicContact CE1-CB 4.09Å; Y90-D99 PolarHBondContact OH-OD2 2.87Å; Y90-D99 VanDerWaalsContact OH-OD2 3.1Å; Y90-L154 HydrophobicContact CD1-CB 4.25Å; Y90-L154 HydrophobicContact CD1-CD1 3.83Å; Y90-L154 HydrophobicContact CD1-CD2 4.16Å; Y90-L154 HydrophobicContact CD1-CG 4.31Å; Y90-L154 HydrophobicContact CE1-CB 4.11Å; Y90-L154 HydrophobicContact CE1-CD1 4.33Å; Y90-L154 HydrophobicContact CE1-CD2 3.83Å; Y90-L154 HydrophobicContact CE1-CG 4.32Å; Y90-L154 HydrophobicContact CG-CD1 4.34Å; Y90-I159 HydrophobicContact CD2-CB 4.5Å; Y90-I159 HydrophobicContact CD2-CD1 3.49Å; Y90-I159 VanDerWaalsContact CD2-CD1 3.49Å; Y90-I159 HydrophobicContact CD2-CG1 3.67Å; Y90-I159 HydrophobicContact CD2-CG2 4.15Å; Y90-I159 HydrophobicContact CE2-CD1 3.91Å; Y90-I159 HydrophobicContact CE2-CG1 4.13Å; Y90-I159 HydrophobicContact CG-CD1 3.87Å; Y90-I159 HydrophobicContact CG-CG1 4.43Å; Y90-I159 HydrophobicContact CG-CG2 4.37Å; Y90-T161 CarbonylContact C-O 3.53Å; Y90-T161 VanDerWaalsContact CA-O 3.31Å; Y90-T161 WeakPolarHBondContact CA-O 3.48Å |
| 91 | E | 85.3 | Confident | 86.2 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.4 | 178.3 | -52.6 | -178 | 37.7 | 0 | 0 | 108.4 | K96 V160 T161 | E91-K96 HydrophobicContact CG-CB 3.85Å; E91-K96 HydrophobicContact CG-CD 4.01Å; E91-K96 HydrophobicContact CG-CG 3.75Å; E91-K96 WeakPolarHBondContact OE2-CD 3.42Å; E91-K96 WeakPolarHBondContact OE2-CE 3.22Å; E91-K96 IonicContact OE2-NZ 3.26Å; E91-K96 PolarHBondContact OE2-NZ 3.05Å; E91-V160 PolarHBondContact O-N 3.02Å; E91-T161 VanDerWaalsContact CB-OG1 3.31Å; E91-T161 WeakPolarHBondContact CB-OG1 3.29Å; E91-T161 PolarHBondContact N-O 3.02Å; E91-T161 PolarHBondContact O-N 2.68Å |
| 92 | T | 84.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 173.5 | 166.5 | 68.7 | 0 | 0 | 0 | 0 | 108.6 | Y90 E94 T95 A158 | Y90-T92 HydrophobicContact CD2-CG2 4.24Å; Y90-T92 HydrophobicContact CE2-CG2 4.22Å; T92-E94 PolarHBondContact O-N 3.34Å; T92-T95 PolarHBondContact N-O 3.15Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact OG1-N 3.35Å; T92-T95 PolarHBondContact OG1-O 3.12Å; T92-A158 WeakPolarHBondContact CA-O 3.46Å; T92-A158 VanDerWaalsContact CB-O 3.29Å; T92-A158 WeakPolarHBondContact CB-O 3.33Å; T92-A158 WeakPolarHBondContact CG2-O 3.03Å |
| 93 | K | 78.9 | Confident | 86.3 | Confident | 183 Ų | 183 | 44.3 Ų | 44.3 | 80% | 0.796 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -54.4 | -21 | -180 | -68.4 | -178.9 | 178.8 | 179.3 | 0 | 114.6 | V160 | K93-V160 HydrophobicContact CB-CG2 4.43Å; K93-V160 HydrophobicContact CG-CG2 3.51Å |
| 94 | E | 78.1 | Confident | 86.3 | Confident | 187 Ų | 187 | 44.5 Ų | 44.5 | 87% | 0.874 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -119.6 | -24 | -172.4 | -71.3 | 171.3 | 81.7 | 0 | 0 | 113.5 | T92 | T92-E94 PolarHBondContact O-N 3.34Š|
| 95 | T | 83.1 | Confident | 86.3 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 44% | 0.436 | 21% | 0.211 | S | C | . | . | trans | -157.6 | 154.2 | -174.5 | -163.4 | 0 | 0 | 0 | 0 | 113.4 | T92 K97 | T92-T95 PolarHBondContact N-O 3.15Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact OG1-N 3.35Å; T92-T95 PolarHBondContact OG1-O 3.12Å; T95-K97 HydrophobicContact CG2-CD 4.36Å; T95-K97 HydrophobicContact CG2-CG 4.04Å | ||
| 96 | K | 81.4 | Confident | 86.2 | Confident | 114 Ų | 114 | 44.9 Ų | 44.9 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.4 | 170.5 | -178.2 | 163.7 | -164.9 | 146.7 | 0 | 109.7 | T89 E91 | T89-K96 HydrophobicContact CG2-CD 4.31Å; T89-K96 HydrophobicContact CG2-CG 4.24Å; E91-K96 HydrophobicContact CG-CB 3.85Å; E91-K96 HydrophobicContact CG-CD 4.01Å; E91-K96 HydrophobicContact CG-CG 3.75Å; E91-K96 WeakPolarHBondContact OE2-CD 3.42Å; E91-K96 WeakPolarHBondContact OE2-CE 3.22Å; E91-K96 IonicContact OE2-NZ 3.26Å; E91-K96 PolarHBondContact OE2-NZ 3.05Å |
| 97 | K | 84.6 | Confident | 86.1 | Confident | 106 Ų | 106 | 45.1 Ų | 45.1 | 46% | 0.461 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 160 | 175.9 | -75.5 | -176.4 | 170.6 | -172.5 | 0 | 110.3 | T89 Y90 T95 | T89-K97 WeakPolarHBondContact CA-O 3.38Å; Y90-K97 HydrophobicContact CD1-CB 4.47Å; Y90-K97 HydrophobicContact CD2-CB 4.27Å; Y90-K97 HydrophobicContact CE1-CB 3.94Å; Y90-K97 HydrophobicContact CE2-CB 3.78Å; Y90-K97 HydrophobicContact CE2-CD 4.32Å; Y90-K97 PolarHBondContact N-O 3.23Å; Y90-K97 CarbonylContact O-C 3.5Å; Y90-K97 PolarHBondContact O-N 2.79Å; T95-K97 HydrophobicContact CG2-CD 4.36Å; T95-K97 HydrophobicContact CG2-CG 4.04Å |
| 98 | E | 85.8 | Confident | 85.9 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 119.4 | 179.5 | -58 | 168 | 111.5 | 0 | 0 | 106.3 | R21 A88 T89 | R21-E98 VanDerWaalsContact CZ-CB 3.46Å; R21-E98 IonicContact CZ-OE2 2.79Å; R21-E98 IonicContact NE-OE2 3.6Å; R21-E98 VanDerWaalsContact NH1-CB 3.33Å; R21-E98 IonicContact NH1-OE2 2.8Å; R21-E98 PolarHBondContact NH1-OE2 2.89Å; R21-E98 VanDerWaalsContact NH2-C 3.31Å; R21-E98 PolarHBondContact NH2-O 2.79Å; A88-E98 CarbonylContact O-C 3.5Å; A88-E98 VanDerWaalsContact O-CA 3.23Å; A88-E98 WeakPolarHBondContact O-CA 3.13Å; T89-E98 HydrophobicContact CG2-CG 3.76Å |
| 99 | D | 86.8 | Confident | 85.8 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.7 | -179.3 | -84.6 | -90.7 | 0 | 0 | 0 | 110.6 | A88 Y90 V101 H134 L154 | A88-D99 PolarHBondContact N-O 3.13Å; A88-D99 PolarHBondContact O-N 3.37Å; Y90-D99 HydrophobicContact CE1-CB 4.09Å; Y90-D99 PolarHBondContact OH-OD2 2.87Å; Y90-D99 VanDerWaalsContact OH-OD2 3.1Å; D99-V101 PolarHBondContact O-N 3.35Å; D99-H134 IonicContact OD1-CD2 3.66Å; D99-H134 IonicContact OD1-NE2 3.92Å; D99-L154 HydrophobicContact CB-CD2 4.03Å |
| 100 | L | 88.1 | Confident | 85.7 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.8 | 173.5 | -86 | 158.4 | 0 | 0 | 0 | 110 | M18 K19 D87 | M18-L100 HydrophobicContact CB-CD1 4.27Å; M18-L100 HydrophobicContact CB-CD2 4.06Å; M18-L100 HydrophobicContact CE-CD2 3.91Å; M18-L100 HydrophobicContact SD-CD2 4.44Å; K19-L100 HydrophobicContact CB-CD1 3.9Å; K19-L100 HydrophobicContact CG-CD1 4.47Å; D87-L100 HydrophobicContact CB-CD2 4.08Å |
| 101 | V | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.7 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 109 | Y86 A88 D99 I103 H134 W136 L150 L154 | Y86-V101 PolarHBondContact N-O 2.66Å; Y86-V101 PolarHBondContact O-N 2.99Å; A88-V101 HydrophobicContact CB-CG2 4Å; D99-V101 PolarHBondContact O-N 3.35Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å; V101-H134 WeakPolarHBondContact CA-O 3.36Å; V101-H134 HydrophobicContact CB-CB 4.39Å; V101-H134 HydrophobicContact CG1-CB 4.23Å; V101-H134 HydrophobicContact CG2-CB 4Å; V101-W136 HydrophobicContact CG1-CB 3.94Å; V101-L150 HydrophobicContact CB-CD1 4.44Å; V101-L150 HydrophobicContact CG1-CD1 4.13Å; V101-L150 HydrophobicContact CG2-CD1 4.11Å; V101-L154 HydrophobicContact CG2-CD2 3.39Å; V101-L154 HydrophobicContact CG2-CG 4.13Å |
| 102 | F | 91.2 | Very high | 85.7 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.1 | 168.4 | 179.4 | -106.9 | 0 | 0 | 0 | 109.8 | Y83 L85 F104 K122 I125 F129 I132 H134 E135 W136 | Y83-F102 HydrophobicContact CD1-CE1 4.14Å; Y83-F102 HydrophobicContact CD1-CE2 4.07Å; Y83-F102 AromaticContact CD1-CZ 3.34Å; Y83-F102 HydrophobicContact CD1-CZ 3.34Å; Y83-F102 AromaticContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CG-CE2 4.19Å; Y83-F102 AromaticContact CG-CZ 3.9Å; Y83-F102 HydrophobicContact CG-CZ 3.9Å; L85-F102 HydrophobicContact CD2-CB 4.13Å; L85-F102 HydrophobicContact CD2-CD2 3.99Å; L85-F102 HydrophobicContact CG-CD2 4.45Å; F102-F104 HydrophobicContact CE1-CB 4.28Å; F102-K122 HydrophobicContact CE1-CG 4.37Å; F102-I125 HydrophobicContact CE2-CD1 4.11Å; F102-I125 HydrophobicContact CE2-CG2 4.15Å; F102-I125 HydrophobicContact CZ-CG2 3.69Å; F102-F129 AromaticContact CD2-CD2 3.84Å; F102-F129 HydrophobicContact CD2-CD2 3.84Å; F102-F129 AromaticContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CE2-CD2 4.06Å; F102-F129 AromaticContact CE2-CE2 3.82Å; F102-F129 HydrophobicContact CE2-CE2 3.82Å; F102-I132 HydrophobicContact CB-CD1 3.84Å; F102-I132 HydrophobicContact CB-CG2 3.93Å; F102-H134 PolarHBondContact N-O 2.91Å; F102-E135 CarbonylContact O-C 3.56Å; F102-E135 WeakPolarHBondContact O-CA 3.33Å; F102-W136 PolarHBondContact O-N 3.38Å |
| 103 | I | 89.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | 179.9 | -54.3 | 178.3 | 0 | 0 | 0 | 108.6 | F72 Y83 A84 Y86 V101 W136 V138 L144 | F72-I103 HydrophobicContact CE1-CD1 3.6Å; F72-I103 HydrophobicContact CE1-CG2 4.48Å; F72-I103 HydrophobicContact CZ-CB 4.45Å; F72-I103 HydrophobicContact CZ-CD1 3.84Å; F72-I103 HydrophobicContact CZ-CG2 4.39Å; Y83-I103 CarbonylContact C-O 3.53Å; Y83-I103 WeakPolarHBondContact CA-O 3.2Å; A84-I103 HydrophobicContact CB-CB 4.2Å; A84-I103 PolarHBondContact N-O 2.89Å; A84-I103 PolarHBondContact O-N 2.99Å; Y86-I103 HydrophobicContact CG-CD1 4.26Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å; I103-W136 CarbonylContact C-O 3.53Å; I103-W136 VanDerWaalsContact CA-O 3.24Å; I103-W136 WeakPolarHBondContact CA-O 3.23Å; I103-W136 HydrophobicContact CD1-CE3 3.86Å; I103-W136 HydrophobicContact CD1-CZ3 4.14Å; I103-W136 HydrophobicContact CG1-CB 4.48Å; I103-W136 HydrophobicContact CG1-CE3 3.99Å; I103-W136 HydrophobicContact CG2-CE3 4.4Å; I103-V138 HydrophobicContact CG2-CG2 4.1Å; I103-L144 HydrophobicContact CG2-CD1 4.39Å |
| 104 | F | 90.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 106.1 | 171.7 | 176.6 | -141.3 | 0 | 0 | 0 | 109.6 | Y83 F102 A106 Y118 K122 W136 Q137 V138 | Y83-F104 HydrophobicContact CD1-CB 4.38Å; Y83-F104 AromaticContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CD2 3.5Å; Y83-F104 VanDerWaalsContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CE2 4.18Å; Y83-F104 HydrophobicContact CD1-CG 4.22Å; Y83-F104 AromaticContact CE1-CD2 3.4Å; Y83-F104 HydrophobicContact CE1-CD2 3.4Å; Y83-F104 AromaticContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CG 4.13Å; F102-F104 HydrophobicContact CE1-CB 4.28Å; F104-A106 HydrophobicContact CE1-CB 4.06Å; F104-A106 HydrophobicContact CE2-CB 4.11Å; F104-A106 HydrophobicContact CZ-CB 3.77Å; F104-Y118 HydrophobicContact CE2-CD1 4.07Å; F104-Y118 HydrophobicContact CE2-CG 4.23Å; F104-K122 HydrophobicContact CD1-CD 4.43Å; F104-W136 PolarHBondContact N-O 3.12Å; F104-Q137 HydrophobicContact CD1-CG 3.99Å; F104-V138 PolarHBondContact O-N 3.44Å |
| 105 | W | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.8 | 178.6 | 176.4 | -109.4 | 0 | 0 | 0 | 110.8 | L76 P77 D80 C81 R82 P107 V138 G140 L141 L144 | L76-W105 HydrophobicContact CB-CD2 4.24Å; L76-W105 HydrophobicContact CB-CG 4.44Å; L76-W105 HydrophobicContact CB-CZ2 4.43Å; L76-W105 HydrophobicContact CD1-CD2 4.07Å; L76-W105 HydrophobicContact CD1-CE3 4.04Å; L76-W105 HydrophobicContact CD1-CG 4.36Å; L76-W105 HydrophobicContact CD2-CB 3.84Å; L76-W105 HydrophobicContact CD2-CD2 4.21Å; L76-W105 HydrophobicContact CD2-CG 3.7Å; L76-W105 HydrophobicContact CG-CD2 4.43Å; L76-W105 HydrophobicContact CG-CG 4.41Å; P77-W105 PolarHBondContact O-NE1 3.05Å; D80-W105 VanDerWaalsContact O-CD1 3.23Å; D80-W105 PolarHBondContact O-NE1 2.79Å; C81-W105 CarbonylContact C-O 3.54Å; C81-W105 WeakPolarHBondContact CA-O 3.23Å; C81-W105 WeakPolarHBondContact CB-O 3.25Å; R82-W105 PolarHBondContact N-O 2.85Å; R82-W105 WeakPolarHBondContact O-CA 3.43Å; R82-W105 WeakPolarHBondContact O-CB 3.23Å; R82-W105 PolarHBondContact O-N 3.31Å; W105-P107 HydrophobicContact CH2-CB 4.37Å; W105-P107 HydrophobicContact CZ2-CB 3.66Å; W105-P107 HydrophobicContact CZ2-CG 4.04Å; W105-V138 WeakPolarHBondContact CA-O 3.41Å; W105-V138 HydrophobicContact CE3-CB 3.99Å; W105-V138 HydrophobicContact CE3-CG1 3.98Å; W105-V138 HydrophobicContact CZ3-CB 4.27Å; W105-V138 HydrophobicContact CZ3-CG1 3.74Å; W105-G140 VanDerWaalsContact CH2-C 3.46Å; W105-G140 WeakPolarHBondContact CZ3-O 3.14Å; W105-L141 HydrophobicContact CH2-CB 4.18Å; W105-L141 HydrophobicContact CH2-CD2 3.39Å; W105-L141 HydrophobicContact CH2-CG 3.55Å; W105-L141 HydrophobicContact CZ2-CD2 3.66Å; W105-L141 HydrophobicContact CZ2-CG 3.95Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; W105-L144 HydrophobicContact CE3-CD1 3.52Å; W105-L144 HydrophobicContact CZ3-CB 4.22Å; W105-L144 HydrophobicContact CZ3-CD1 3.69Å |
| 106 | A | 88.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | trans | -139.7 | 74.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F104 V138 N139 | F104-A106 HydrophobicContact CE1-CB 4.06Å; F104-A106 HydrophobicContact CE2-CB 4.11Å; F104-A106 HydrophobicContact CZ-CB 3.77Å; A106-V138 PolarHBondContact N-O 2.96Å; A106-N139 WeakPolarHBondContact O-CA 3.41Å | ||
| 107 | P | 86.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -67.2 | 146.8 | -170.7 | 27 | -31.9 | 0 | 0 | 0 | 111.8 | P78 D80 W105 S109 A110 K115 N139 | P78-P107 VanDerWaalsContact O-CB 3.26Å; P78-P107 WeakPolarHBondContact O-CB 3.32Å; P78-P107 WeakPolarHBondContact O-CG 3.48Å; D80-P107 VanDerWaalsContact O-CD 3.32Å; D80-P107 WeakPolarHBondContact O-CD 3.42Å; D80-P107 WeakPolarHBondContact O-CG 3.42Å; W105-P107 HydrophobicContact CH2-CB 4.37Å; W105-P107 HydrophobicContact CZ2-CB 3.66Å; W105-P107 HydrophobicContact CZ2-CG 4.04Å; P107-S109 PolarHBondContact O-N 3.39Å; P107-A110 HydrophobicContact CG-CB 3.77Å; P107-A110 WeakPolarHBondContact O-CB 3.11Å; P107-A110 PolarHBondContact O-N 2.92Å; P107-K115 WeakPolarHBondContact O-CE 3.18Å; P107-K115 PolarHBondContact O-NZ 3.18Å; P107-N139 VanDerWaalsContact CA-O 3.25Å; P107-N139 WeakPolarHBondContact CA-O 3.5Å | ||
| 108 | E | 83.7 | Confident | 86.8 | Confident | 169 Ų | 169 | 48.3 Ų | 48.3 | 79% | 0.79 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -34.8 | -178.9 | -67.1 | -158.5 | 99.9 | 0 | 0 | 113.9 | A110 K115 N139 | E108-A110 VanDerWaalsContact C-N 3.27Å; E108-A110 PolarHBondContact O-N 3.48Å; E108-K115 PolarHBondContact O-NZ 3.26Å; E108-N139 PolarHBondContact N-O 3.36Å |
| 109 | S | 84.5 | Confident | 86.8 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.2 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 115.1 | P107 | P107-S109 PolarHBondContact O-N 3.39Š|
| 110 | A | 84.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -69.2 | 144.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N79 C81 P107 E108 L112 K115 | N79-A110 WeakPolarHBondContact O-CA 3.39Å; C81-A110 VanDerWaalsContact SG-CB 3.58Å; P107-A110 HydrophobicContact CG-CB 3.77Å; P107-A110 WeakPolarHBondContact O-CB 3.11Å; P107-A110 PolarHBondContact O-N 2.92Å; E108-A110 VanDerWaalsContact C-N 3.27Å; E108-A110 PolarHBondContact O-N 3.48Å; A110-L112 PolarHBondContact O-N 3.47Å; A110-K115 HydrophobicContact CB-CG 4.43Å; A110-K115 VanDerWaalsContact O-CE 3.26Å; A110-K115 WeakPolarHBondContact O-CE 3.4Å; A110-K115 PolarHBondContact O-NZ 3.44Å |
| 111 | P | 84.4 | Confident | 86.8 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | trans | -59.7 | 135.9 | -178.1 | 19.8 | -29.5 | 0 | 0 | 0 | 111.8 | N79 K113 S114 K115 | N79-P111 VanDerWaalsContact O-CD 3.3Å; N79-P111 WeakPolarHBondContact O-CD 3.24Å; P111-K113 PolarHBondContact O-N 3.41Å; P111-S114 PolarHBondContact O-N 3.07Å; P111-K115 PolarHBondContact O-N 3.27Å | ||
| 112 | L | 85.4 | Confident | 86.6 | Confident | 124 Ų | 124 | 49.5 Ų | 49.5 | 65% | 0.649 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.6 | -38.6 | -177.5 | -179.1 | 63.9 | 0 | 0 | 0 | 112.6 | A110 K115 M116 | A110-L112 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 2.94Å; L112-M116 HydrophobicContact CD1-CG 4.4Å; L112-M116 HydrophobicContact CG-CG 4.5Å; L112-M116 HydrophobicContact CG-SD 4.42Å; L112-M116 WeakPolarHBondContact O-CB 3.44Å; L112-M116 WeakPolarHBondContact O-CG 3.38Å; L112-M116 PolarHBondContact O-N 3.08Å |
| 113 | K | 83.1 | Confident | 86.3 | Confident | 169 Ų | 169 | 53.9 Ų | 53.9 | 74% | 0.735 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.2 | -48.3 | 175.2 | -88.7 | -173.7 | 178.4 | -177.8 | 0 | 111.9 | P111 M116 I117 | P111-K113 PolarHBondContact O-N 3.41Å; K113-M116 PolarHBondContact O-N 2.77Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.36Å; K113-I117 PolarHBondContact O-N 3.49Å |
| 114 | S | 84.7 | Confident | 86.2 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | P111 M116 I117 Y118 | P111-S114 PolarHBondContact O-N 3.07Å; S114-M116 VanDerWaalsContact C-N 3.3Å; S114-M116 PolarHBondContact O-N 3.27Å; S114-I117 PolarHBondContact O-N 2.92Å; S114-I117 VanDerWaalsContact O-N 3.14Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 VanDerWaalsContact O-CD2 3.27Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.39Å |
| 115 | K | 84.4 | Confident | 86 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.8 | -45.2 | 176.2 | -73.9 | 178.4 | -175.3 | 163.4 | 0 | 113.1 | C81 P107 E108 A110 P111 L112 A119 | C81-K115 WeakPolarHBondContact SG-CG 3.49Å; P107-K115 WeakPolarHBondContact O-CE 3.18Å; P107-K115 PolarHBondContact O-NZ 3.18Å; E108-K115 PolarHBondContact O-NZ 3.26Å; A110-K115 HydrophobicContact CB-CG 4.43Å; A110-K115 VanDerWaalsContact O-CE 3.26Å; A110-K115 WeakPolarHBondContact O-CE 3.4Å; A110-K115 PolarHBondContact O-NZ 3.44Å; P111-K115 PolarHBondContact O-N 3.27Å; L112-K115 PolarHBondContact O-N 2.94Å; K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.29Å |
| 116 | M | 86.3 | Confident | 85.7 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 178.8 | -81.3 | -175.1 | 141.2 | 0 | 0 | 112.1 | L112 K113 S114 S120 | L112-M116 HydrophobicContact CD1-CG 4.4Å; L112-M116 HydrophobicContact CG-CG 4.5Å; L112-M116 HydrophobicContact CG-SD 4.42Å; L112-M116 WeakPolarHBondContact O-CB 3.44Å; L112-M116 WeakPolarHBondContact O-CG 3.38Å; L112-M116 PolarHBondContact O-N 3.08Å; K113-M116 PolarHBondContact O-N 2.77Å; S114-M116 VanDerWaalsContact C-N 3.3Å; S114-M116 PolarHBondContact O-N 3.27Å; M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.79Å; M116-S120 PolarHBondContact O-OG 3.49Å |
| 117 | I | 87.1 | Confident | 85.6 | Confident | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.179 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.1 | -44.8 | -179.7 | -62 | 164.6 | 0 | 0 | 0 | 110.1 | V5 L41 L45 K113 S114 S120 S121 | V5-I117 HydrophobicContact CG2-CG2 4.25Å; L41-I117 HydrophobicContact CD1-CB 4.27Å; L41-I117 HydrophobicContact CD1-CG2 3.63Å; L45-I117 HydrophobicContact CB-CD1 4.11Å; L45-I117 HydrophobicContact CB-CG2 4.31Å; L45-I117 HydrophobicContact CD1-CD1 3.6Å; L45-I117 HydrophobicContact CD2-CD1 4.43Å; L45-I117 HydrophobicContact CG-CD1 4.25Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.36Å; K113-I117 PolarHBondContact O-N 3.49Å; S114-I117 PolarHBondContact O-N 2.92Å; S114-I117 VanDerWaalsContact O-N 3.14Å; I117-S120 PolarHBondContact O-N 2.72Å; I117-S121 WeakPolarHBondContact O-CB 3.24Å; I117-S121 PolarHBondContact O-N 2.72Å; I117-S121 PolarHBondContact O-OG 2.84Å |
| 118 | Y | 87.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 73 Ų | 73 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -56.1 | 173.4 | -86.7 | -94.6 | 0 | 0 | 0 | 110.3 | C40 L41 C81 Y83 F104 S114 S120 S121 K122 | C40-Y118 WeakPolarHBondContact CA-OH 3.45Å; L41-Y118 HydrophobicContact CB-CE2 4.13Å; L41-Y118 HydrophobicContact CD1-CD1 4.26Å; L41-Y118 HydrophobicContact CD1-CD2 3.35Å; L41-Y118 HydrophobicContact CD1-CE1 4.21Å; L41-Y118 HydrophobicContact CD1-CE2 3.37Å; L41-Y118 HydrophobicContact CD1-CG 3.83Å; L41-Y118 HydrophobicContact CG-CD1 4.42Å; L41-Y118 HydrophobicContact CG-CD2 4.17Å; L41-Y118 HydrophobicContact CG-CE1 4Å; L41-Y118 HydrophobicContact CG-CE2 3.81Å; L41-Y118 HydrophobicContact CG-CG 4.47Å; L41-Y118 PolarHBondContact N-OH 3.23Å; C81-Y118 HydrophobicContact CB-CD1 4.08Å; C81-Y118 HydrophobicContact CB-CD2 3.56Å; C81-Y118 HydrophobicContact CB-CE1 4.36Å; C81-Y118 HydrophobicContact CB-CE2 3.79Å; C81-Y118 HydrophobicContact CB-CG 3.73Å; C81-Y118 WeakPolarHBondContact O-CE2 3.34Å; C81-Y118 PolarHBondContact O-OH 2.85Å; Y83-Y118 HydrophobicContact CD1-CD1 4.38Å; Y83-Y118 AromaticContact CD2-CD1 3.82Å; Y83-Y118 HydrophobicContact CD2-CD1 3.82Å; Y83-Y118 AromaticContact CD2-CE1 3.75Å; Y83-Y118 HydrophobicContact CD2-CE1 3.75Å; Y83-Y118 AromaticContact CE1-CD1 3.92Å; Y83-Y118 HydrophobicContact CE1-CD1 3.92Å; Y83-Y118 AromaticContact CE2-CD1 3.28Å; Y83-Y118 HydrophobicContact CE2-CD1 3.28Å; Y83-Y118 AromaticContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CG 4.35Å; Y83-Y118 HydrophobicContact CG-CD1 4.35Å; Y83-Y118 HydrophobicContact CG-CE1 4.44Å; Y83-Y118 AromaticContact CZ-CD1 3.36Å; Y83-Y118 VanDerWaalsContact OH-CA 3.25Å; Y83-Y118 WeakPolarHBondContact OH-CA 3.3Å; Y83-Y118 PolarHBondContact OH-O 3.35Å; F104-Y118 HydrophobicContact CE2-CD1 4.07Å; F104-Y118 HydrophobicContact CE2-CG 4.23Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 VanDerWaalsContact O-CD2 3.27Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.39Å; Y118-S120 PolarHBondContact O-N 2.79Å; Y118-S120 VanDerWaalsContact O-N 3.07Å; Y118-S121 CarbonylContact O-C 3.56Å; Y118-S121 WeakPolarHBondContact O-CA 3.43Å; Y118-S121 PolarHBondContact O-N 2.73Å; Y118-K122 PolarHBondContact O-N 2.84Å |
| 119 | A | 86.9 | Confident | 85.6 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 45% | 0.446 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.6 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | K115 K122 | K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.29Å; A119-K122 WeakPolarHBondContact O-CB 2.84Å |
| 120 | S | 86.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.1 | -24 | 176.7 | -57 | 0 | 0 | 0 | 0 | 113.7 | M116 I117 Y118 | M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.79Å; M116-S120 PolarHBondContact O-OG 3.49Å; I117-S120 PolarHBondContact O-N 2.72Å; Y118-S120 PolarHBondContact O-N 2.79Å; Y118-S120 VanDerWaalsContact O-N 3.07Å |
| 121 | S | 87.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -91.3 | -15 | 177.7 | -53.1 | 0 | 0 | 0 | 0 | 112.9 | V5 I117 Y118 D123 A124 I125 | V5-S121 VanDerWaalsContact CB-OG 3.25Å; V5-S121 WeakPolarHBondContact CB-OG 3.43Å; V5-S121 WeakPolarHBondContact CG2-OG 3.27Å; I117-S121 WeakPolarHBondContact O-CB 3.24Å; I117-S121 PolarHBondContact O-N 2.72Å; I117-S121 PolarHBondContact O-OG 2.84Å; Y118-S121 CarbonylContact O-C 3.56Å; Y118-S121 WeakPolarHBondContact O-CA 3.43Å; Y118-S121 PolarHBondContact O-N 2.73Å; S121-D123 PolarHBondContact O-N 3.48Å; S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.83Å; S121-I125 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-N 3.14Å |
| 122 | K | 86 | Confident | 84.8 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.3 | -41.6 | 174.9 | 176 | -176.2 | 159.6 | 175.7 | 0 | 111.6 | Y83 F102 F104 Y118 A119 I125 K126 E135 | Y83-K122 HydrophobicContact CE1-CB 4.41Å; Y83-K122 PolarHBondContact OH-N 2.88Å; F102-K122 HydrophobicContact CE1-CG 4.37Å; F104-K122 HydrophobicContact CD1-CD 4.43Å; Y118-K122 PolarHBondContact O-N 2.84Å; A119-K122 WeakPolarHBondContact O-CB 2.84Å; K122-I125 VanDerWaalsContact O-CG2 3.23Å; K122-I125 WeakPolarHBondContact O-CG2 3.33Å; K122-K126 WeakPolarHBondContact O-CB 3.17Å; K122-K126 PolarHBondContact O-N 2.9Å; K122-E135 WeakPolarHBondContact CE-OE2 3.43Å; K122-E135 IonicContact NZ-OE2 2.7Å; K122-E135 PolarHBondContact NZ-OE2 3.29Å |
| 123 | D | 84.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 71 Ų | 71 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.8 | -167.5 | -96.8 | 0 | 0 | 0 | 111.6 | S121 I125 K126 R127 | S121-D123 PolarHBondContact O-N 3.48Å; D123-I125 PolarHBondContact O-N 3.25Å; D123-K126 PolarHBondContact O-N 3.23Å; D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 VanDerWaalsContact O-CG 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.25Å; D123-R127 PolarHBondContact O-N 3.45Å; D123-R127 VanDerWaalsContact OD1-CD 3.3Å; D123-R127 WeakPolarHBondContact OD1-CD 3.26Å |
| 124 | A | 86.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S121 K128 | S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.83Å; A124-K128 PolarHBondContact O-N 2.91Å |
| 125 | I | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 176.4 | -164.2 | 171.3 | 0 | 0 | 0 | 111.8 | V7 V11 I48 Y83 F102 S121 K122 D123 R127 K128 F129 | V7-I125 HydrophobicContact CG1-CG1 4.48Å; V7-I125 HydrophobicContact CG2-CB 4.16Å; V7-I125 HydrophobicContact CG2-CG1 4.39Å; V11-I125 HydrophobicContact CG1-CD1 4.24Å; I48-I125 HydrophobicContact CD1-CB 3.72Å; I48-I125 HydrophobicContact CD1-CD1 4.08Å; I48-I125 HydrophobicContact CD1-CG1 4.28Å; I48-I125 HydrophobicContact CD1-CG2 4.35Å; I48-I125 HydrophobicContact CG2-CD1 3.87Å; Y83-I125 HydrophobicContact CD2-CD1 4.23Å; Y83-I125 HydrophobicContact CG-CD1 4.41Å; F102-I125 HydrophobicContact CE2-CD1 4.11Å; F102-I125 HydrophobicContact CE2-CG2 4.15Å; F102-I125 HydrophobicContact CZ-CG2 3.69Å; S121-I125 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-N 3.14Å; K122-I125 VanDerWaalsContact O-CG2 3.23Å; K122-I125 WeakPolarHBondContact O-CG2 3.33Å; D123-I125 PolarHBondContact O-N 3.25Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.42Å; I125-K128 CarbonylContact O-C 3.55Å; I125-K128 WeakPolarHBondContact O-CA 3.41Å; I125-K128 WeakPolarHBondContact O-CB 3.06Å; I125-K128 PolarHBondContact O-N 2.85Å; I125-F129 HydrophobicContact CD1-CD2 4.38Å; I125-F129 HydrophobicContact CD1-CE1 4.49Å; I125-F129 HydrophobicContact CD1-CE2 3.59Å; I125-F129 HydrophobicContact CD1-CZ 3.67Å; I125-F129 HydrophobicContact CG1-CD1 4.38Å; I125-F129 HydrophobicContact CG1-CD2 3.91Å; I125-F129 HydrophobicContact CG1-CE1 4.07Å; I125-F129 HydrophobicContact CG1-CE2 3.57Å; I125-F129 HydrophobicContact CG1-CG 4.31Å; I125-F129 HydrophobicContact CG1-CZ 3.67Å; I125-F129 WeakPolarHBondContact O-CG 3.3Å; I125-F129 PolarHBondContact O-N 2.96Å |
| 126 | K | 84.1 | Confident | 84.9 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 177.8 | -173.5 | 176 | 175.8 | 177.9 | 0 | 111.8 | K122 D123 K128 F129 E135 | K122-K126 WeakPolarHBondContact O-CB 3.17Å; K122-K126 PolarHBondContact O-N 2.9Å; D123-K126 PolarHBondContact O-N 3.23Å; K126-K128 PolarHBondContact O-N 2.79Å; K126-F129 CarbonylContact O-C 3.56Å; K126-F129 PolarHBondContact O-N 3.01Å; K126-E135 IonicContact NZ-OE1 3.8Å; K126-E135 PolarHBondContact NZ-OE1 3.28Å |
| 127 | R | 85.9 | Confident | 84.9 | Confident | 183 Ų | 183 | 64.2 Ų | 64.2 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.1 | -25.1 | 174.7 | -73.4 | -179.7 | 80.7 | -177.2 | 7.8 | 113.4 | D123 I125 E130 | D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 VanDerWaalsContact O-CG 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.25Å; D123-R127 PolarHBondContact O-N 3.45Å; D123-R127 VanDerWaalsContact OD1-CD 3.3Å; D123-R127 WeakPolarHBondContact OD1-CD 3.26Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.42Å; R127-E130 WeakPolarHBondContact O-CG 3.49Å |
| 128 | K | 86.3 | Confident | 84.9 | Confident | 110 Ų | 110 | 62.6 Ų | 62.6 | 48% | 0.478 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -85.1 | -30.5 | 172.3 | -71.4 | -64.5 | -168.8 | 168.5 | 0 | 112.4 | V7 I12 A124 I125 K126 E130 | V7-K128 HydrophobicContact CB-CB 4.5Å; V7-K128 HydrophobicContact CB-CG 3.96Å; V7-K128 HydrophobicContact CG1-CB 4.45Å; V7-K128 HydrophobicContact CG1-CG 4.4Å; V7-K128 HydrophobicContact CG2-CB 4.25Å; V7-K128 HydrophobicContact CG2-CG 3.75Å; I12-K128 HydrophobicContact CD1-CB 4.46Å; I12-K128 HydrophobicContact CD1-CD 3.72Å; I12-K128 HydrophobicContact CD1-CG 4.12Å; I12-K128 HydrophobicContact CG1-CB 4.19Å; I12-K128 HydrophobicContact CG1-CD 4.35Å; I12-K128 HydrophobicContact CG1-CG 4.36Å; A124-K128 PolarHBondContact O-N 2.91Å; I125-K128 CarbonylContact O-C 3.55Å; I125-K128 WeakPolarHBondContact O-CA 3.41Å; I125-K128 WeakPolarHBondContact O-CB 3.06Å; I125-K128 PolarHBondContact O-N 2.85Å; K126-K128 PolarHBondContact O-N 2.79Å; K128-E130 PolarHBondContact O-N 2.81Å |
| 129 | F | 85.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -83.7 | 55.3 | 176.1 | -68.3 | -6.1 | 0 | 0 | 0 | 112 | V11 F15 F39 L85 F102 I125 K126 G131 I132 | V11-F129 HydrophobicContact CG1-CE1 3.7Å; V11-F129 HydrophobicContact CG1-CZ 3.56Å; F15-F129 HydrophobicContact CB-CD1 3.67Å; F15-F129 HydrophobicContact CB-CE1 3.38Å; F15-F129 HydrophobicContact CB-CZ 4.06Å; F15-F129 HydrophobicContact CD1-CB 4.31Å; F15-F129 AromaticContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CE1 4.23Å; F15-F129 HydrophobicContact CD1-CG 4.19Å; F15-F129 HydrophobicContact CD2-CB 4.4Å; F15-F129 AromaticContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD2 4.41Å; F15-F129 HydrophobicContact CD2-CE1 4.23Å; F15-F129 HydrophobicContact CD2-CG 4.01Å; F15-F129 VanDerWaalsContact CE1-CA 3.49Å; F15-F129 HydrophobicContact CE1-CB 4.05Å; F15-F129 HydrophobicContact CE1-CD1 4.22Å; F15-F129 HydrophobicContact CE1-CG 4.41Å; F15-F129 HydrophobicContact CE2-CB 4.16Å; F15-F129 HydrophobicContact CE2-CD1 4.49Å; F15-F129 HydrophobicContact CE2-CG 4.25Å; F15-F129 HydrophobicContact CG-CB 4.46Å; F15-F129 AromaticContact CG-CD1 3.4Å; F15-F129 HydrophobicContact CG-CD1 3.4Å; F15-F129 VanDerWaalsContact CG-CD1 3.4Å; F15-F129 AromaticContact CG-CE1 3.67Å; F15-F129 HydrophobicContact CG-CE1 3.67Å; F15-F129 AromaticContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CZ 4.4Å; F15-F129 HydrophobicContact CZ-CB 3.95Å; F15-F129 HydrophobicContact CZ-CG 4.42Å; F39-F129 HydrophobicContact CE2-CE2 4.48Å; F39-F129 HydrophobicContact CE2-CZ 4.3Å; F39-F129 HydrophobicContact CZ-CZ 4.22Å; L85-F129 HydrophobicContact CD1-CD2 4.22Å; L85-F129 HydrophobicContact CD1-CE1 4.34Å; L85-F129 HydrophobicContact CD1-CE2 3.54Å; L85-F129 HydrophobicContact CD1-CZ 3.6Å; L85-F129 HydrophobicContact CD2-CD2 4.19Å; L85-F129 HydrophobicContact CD2-CE2 4.04Å; L85-F129 HydrophobicContact CG-CD2 4.49Å; L85-F129 HydrophobicContact CG-CE2 3.85Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; F102-F129 AromaticContact CD2-CD2 3.84Å; F102-F129 HydrophobicContact CD2-CD2 3.84Å; F102-F129 AromaticContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CE2-CD2 4.06Å; F102-F129 AromaticContact CE2-CE2 3.82Å; F102-F129 HydrophobicContact CE2-CE2 3.82Å; I125-F129 HydrophobicContact CD1-CD2 4.38Å; I125-F129 HydrophobicContact CD1-CE1 4.49Å; I125-F129 HydrophobicContact CD1-CE2 3.59Å; I125-F129 HydrophobicContact CD1-CZ 3.67Å; I125-F129 HydrophobicContact CG1-CD1 4.38Å; I125-F129 HydrophobicContact CG1-CD2 3.91Å; I125-F129 HydrophobicContact CG1-CE1 4.07Å; I125-F129 HydrophobicContact CG1-CE2 3.57Å; I125-F129 HydrophobicContact CG1-CG 4.31Å; I125-F129 HydrophobicContact CG1-CZ 3.67Å; I125-F129 WeakPolarHBondContact O-CG 3.3Å; I125-F129 PolarHBondContact O-N 2.96Å; K126-F129 CarbonylContact O-C 3.56Å; K126-F129 PolarHBondContact O-N 3.01Å; F129-G131 PolarHBondContact O-N 3.46Å; F129-I132 HydrophobicContact CB-CD1 3.53Å; F129-I132 HydrophobicContact CB-CG1 3.95Å; F129-I132 HydrophobicContact CD2-CD1 3.55Å; F129-I132 HydrophobicContact CG-CD1 3.86Å; F129-I132 PolarHBondContact O-N 2.86Å |
| 130 | E | 78.6 | Confident | 84.3 | Confident | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.2 | 178.6 | -74.3 | -170.7 | 76.8 | 0 | 0 | 111 | K19 R127 K128 | K19-E130 PolarHBondContact NZ-O 3Å; R127-E130 WeakPolarHBondContact O-CG 3.49Å; K128-E130 PolarHBondContact O-N 2.81Å |
| 131 | G | 75.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | 2.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F129 K133 | F129-G131 PolarHBondContact O-N 3.46Å; G131-K133 PolarHBondContact O-N 2.98Å |
| 132 | I | 83 | Confident | 83.3 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | trans | -68.5 | 123.4 | 164.7 | -63.9 | -171.6 | 0 | 0 | 0 | 109.2 | F15 L85 F102 F129 H134 | F15-I132 HydrophobicContact CD2-CD1 4.12Å; F15-I132 HydrophobicContact CD2-CG1 4.41Å; F15-I132 HydrophobicContact CE2-CD1 3.44Å; F15-I132 VanDerWaalsContact CE2-CD1 3.44Å; F15-I132 HydrophobicContact CE2-CG1 3.31Å; F15-I132 HydrophobicContact CZ-CD1 4.04Å; F15-I132 HydrophobicContact CZ-CG1 3.52Å; L85-I132 HydrophobicContact CD2-CD1 3.39Å; F102-I132 HydrophobicContact CB-CD1 3.84Å; F102-I132 HydrophobicContact CB-CG2 3.93Å; F129-I132 HydrophobicContact CB-CD1 3.53Å; F129-I132 HydrophobicContact CB-CG1 3.95Å; F129-I132 HydrophobicContact CD2-CD1 3.55Å; F129-I132 HydrophobicContact CG-CD1 3.86Å; F129-I132 PolarHBondContact O-N 2.86Å; I132-H134 WeakPolarHBondContact CG2-O 3.38Å | ||
| 133 | K | 78.3 | Confident | 82.7 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | trans | -92.7 | -31.3 | 177.8 | -65.1 | 178.7 | -179.7 | 174.8 | 0 | 112.6 | G131 | G131-K133 PolarHBondContact O-N 2.98Š| ||
| 134 | H | 85.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.3 | -172.7 | -61 | -83 | 0 | 0 | 0 | 110.3 | D99 V101 F102 I132 K153 L154 | D99-H134 IonicContact OD1-CD2 3.66Å; D99-H134 IonicContact OD1-NE2 3.92Å; V101-H134 WeakPolarHBondContact CA-O 3.36Å; V101-H134 HydrophobicContact CB-CB 4.39Å; V101-H134 HydrophobicContact CG1-CB 4.23Å; V101-H134 HydrophobicContact CG2-CB 4Å; F102-H134 PolarHBondContact N-O 2.91Å; I132-H134 WeakPolarHBondContact CG2-O 3.38Å; H134-K153 PolarHBondContact ND1-O 2.83Å; H134-L154 PolarHBondContact CE1-O 3.32Å; H134-L154 VanDerWaalsContact CE1-O 3.25Å |
| 135 | E | 87.2 | Confident | 81.4 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.2 | 168.6 | 68 | 179.5 | 93.1 | 0 | 0 | 109.8 | F102 K122 K126 | F102-E135 CarbonylContact O-C 3.56Å; F102-E135 WeakPolarHBondContact O-CA 3.33Å; K122-E135 WeakPolarHBondContact CE-OE2 3.43Å; K122-E135 IonicContact NZ-OE2 2.7Å; K122-E135 PolarHBondContact NZ-OE2 3.29Å; K126-E135 IonicContact NZ-OE1 3.8Å; K126-E135 PolarHBondContact NZ-OE1 3.28Å |
| 136 | W | 87.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 2% | 0.019 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 116.6 | 178.5 | -172.4 | 22 | 0 | 0 | 0 | 109.2 | Y69 V101 F102 I103 F104 V138 D143 L144 T149 L150 K153 | Y69-W136 HydrophobicContact CE2-CH2 4.3Å; Y69-W136 HydrophobicContact CE2-CZ3 4.13Å; Y69-W136 VanDerWaalsContact OH-CH2 3.3Å; Y69-W136 WeakPolarHBondContact OH-CH2 3.42Å; V101-W136 HydrophobicContact CG1-CB 3.94Å; F102-W136 PolarHBondContact O-N 3.38Å; I103-W136 CarbonylContact C-O 3.53Å; I103-W136 VanDerWaalsContact CA-O 3.24Å; I103-W136 WeakPolarHBondContact CA-O 3.23Å; I103-W136 HydrophobicContact CD1-CE3 3.86Å; I103-W136 HydrophobicContact CD1-CZ3 4.14Å; I103-W136 HydrophobicContact CG1-CB 4.48Å; I103-W136 HydrophobicContact CG1-CE3 3.99Å; I103-W136 HydrophobicContact CG2-CE3 4.4Å; F104-W136 PolarHBondContact N-O 3.12Å; W136-V138 HydrophobicContact CD2-CG2 3.56Å; W136-V138 HydrophobicContact CE3-CG2 4.07Å; W136-V138 HydrophobicContact CG-CG2 3.9Å; W136-V138 HydrophobicContact CH2-CG2 4.16Å; W136-V138 HydrophobicContact CZ2-CG2 3.68Å; W136-V138 HydrophobicContact CZ3-CG2 4.34Å; W136-D143 WeakPolarHBondContact CZ2-O 3.35Å; W136-D143 WeakPolarHBondContact CZ2-OD1 3.46Å; W136-D143 PolarHBondContact NE1-OD1 3.34Å; W136-L144 HydrophobicContact CH2-CG 4.08Å; W136-L144 HydrophobicContact CZ3-CG 4.35Å; W136-T149 HydrophobicContact CZ2-CG2 3.71Å; W136-L150 HydrophobicContact CD2-CD1 4.45Å; W136-L150 HydrophobicContact CE3-CB 4.24Å; W136-L150 HydrophobicContact CE3-CD1 3.62Å; W136-L150 HydrophobicContact CE3-CG 4.47Å; W136-L150 HydrophobicContact CH2-CB 4.02Å; W136-L150 HydrophobicContact CZ3-CB 3.8Å; W136-L150 HydrophobicContact CZ3-CD1 3.86Å; W136-L150 HydrophobicContact CZ3-CG 4.26Å; W136-K153 HydrophobicContact CB-CG 4.28Å; W136-K153 HydrophobicContact CG-CG 4.05Å |
| 137 | Q | 87.1 | Confident | 80.6 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.9 | 173.7 | 174.9 | 173 | 51.5 | 0 | 0 | 108.5 | F104 N139 | F104-Q137 HydrophobicContact CD1-CG 3.99Å; Q137-N139 WeakPolarHBondContact CG-OD1 3.23Å |
| 138 | V | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.3 | -177.2 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | I103 F104 W105 A106 W136 G140 D143 L144 | I103-V138 HydrophobicContact CG2-CG2 4.1Å; F104-V138 PolarHBondContact O-N 3.44Å; W105-V138 WeakPolarHBondContact CA-O 3.41Å; W105-V138 HydrophobicContact CE3-CB 3.99Å; W105-V138 HydrophobicContact CE3-CG1 3.98Å; W105-V138 HydrophobicContact CZ3-CB 4.27Å; W105-V138 HydrophobicContact CZ3-CG1 3.74Å; A106-V138 PolarHBondContact N-O 2.96Å; W136-V138 HydrophobicContact CD2-CG2 3.56Å; W136-V138 HydrophobicContact CE3-CG2 4.07Å; W136-V138 HydrophobicContact CG-CG2 3.9Å; W136-V138 HydrophobicContact CH2-CG2 4.16Å; W136-V138 HydrophobicContact CZ2-CG2 3.68Å; W136-V138 HydrophobicContact CZ3-CG2 4.34Å; V138-G140 VanDerWaalsContact CG1-O 3.24Å; V138-G140 WeakPolarHBondContact CG1-O 3.5Å; V138-D143 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CB-CD1 3.89Å; V138-L144 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CG1-CD1 3.77Å; V138-L144 HydrophobicContact CG1-CG 4.25Å; V138-L144 HydrophobicContact CG2-CD1 3.97Å |
| 139 | N | 83.9 | Confident | 80 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | trans | -110.4 | -2.9 | -174.3 | -59.7 | 3.7 | 0 | 0 | 0 | 112.8 | A106 P107 E108 Q137 | A106-N139 WeakPolarHBondContact O-CA 3.41Å; P107-N139 VanDerWaalsContact CA-O 3.25Å; P107-N139 WeakPolarHBondContact CA-O 3.5Å; E108-N139 PolarHBondContact N-O 3.36Å; Q137-N139 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 140 | G | 79.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 72 Ų | 72 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -154.5 | 150.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | W105 V138 E142 D143 L144 | W105-G140 VanDerWaalsContact CH2-C 3.46Å; W105-G140 WeakPolarHBondContact CZ3-O 3.14Å; V138-G140 VanDerWaalsContact CG1-O 3.24Å; V138-G140 WeakPolarHBondContact CG1-O 3.5Å; G140-E142 PolarHBondContact O-N 3.25Å; G140-D143 PolarHBondContact O-N 3.37Å; G140-L144 PolarHBondContact O-N 3.23Å |
| 141 | L | 75.6 | Confident | 80.1 | Confident | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.6 | -177.7 | -71.9 | 169.1 | 0 | 0 | 0 | 111.2 | V73 P78 W105 L144 K145 | V73-L141 HydrophobicContact CG1-CD2 3.97Å; P78-L141 HydrophobicContact CB-CD1 4.46Å; W105-L141 HydrophobicContact CH2-CB 4.18Å; W105-L141 HydrophobicContact CH2-CD2 3.39Å; W105-L141 HydrophobicContact CH2-CG 3.55Å; W105-L141 HydrophobicContact CZ2-CD2 3.66Å; W105-L141 HydrophobicContact CZ2-CG 3.95Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 3.04Å |
| 142 | E | 75.9 | Confident | 80.5 | Confident | 161 Ų | 161 | 68.2 Ų | 68.2 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -52.4 | 179.2 | -12.5 | -173 | 93.4 | 0 | 0 | 110.2 | G140 L144 K145 E146 | G140-E142 PolarHBondContact O-N 3.25Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-K145 PolarHBondContact O-N 3.19Å; E142-E146 PolarHBondContact O-N 2.8Å |
| 143 | D | 73.6 | Confident | 80.4 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.6 | 176.1 | -170.6 | -95.3 | 0 | 0 | 0 | 111.4 | W136 V138 G140 | W136-D143 WeakPolarHBondContact CZ2-O 3.35Å; W136-D143 WeakPolarHBondContact CZ2-OD1 3.46Å; W136-D143 PolarHBondContact NE1-OD1 3.34Å; V138-D143 HydrophobicContact CG1-CB 3.87Å; G140-D143 PolarHBondContact O-N 3.37Å |
| 144 | L | 72.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12 | 175.8 | -140.4 | 138.3 | 0 | 0 | 0 | 114.3 | Y69 F72 V73 L76 I103 W105 W136 V138 G140 L141 E142 | Y69-L144 WeakPolarHBondContact CE1-O 3.37Å; Y69-L144 PolarHBondContact OH-O 3.01Å; F72-L144 HydrophobicContact CD1-CD2 3.74Å; F72-L144 HydrophobicContact CE1-CD1 4.26Å; F72-L144 HydrophobicContact CE1-CD2 3.77Å; V73-L144 HydrophobicContact CB-CD2 3.99Å; V73-L144 HydrophobicContact CG1-CD2 4.34Å; V73-L144 HydrophobicContact CG2-CD2 3.23Å; V73-L144 HydrophobicContact CG2-CG 4.46Å; V73-L144 WeakPolarHBondContact CG2-O 3.47Å; L76-L144 HydrophobicContact CD1-CD1 3.37Å; L76-L144 HydrophobicContact CD1-CD2 3.72Å; L76-L144 HydrophobicContact CD1-CG 4.22Å; I103-L144 HydrophobicContact CG2-CD1 4.39Å; W105-L144 HydrophobicContact CE3-CD1 3.52Å; W105-L144 HydrophobicContact CZ3-CB 4.22Å; W105-L144 HydrophobicContact CZ3-CD1 3.69Å; W136-L144 HydrophobicContact CH2-CG 4.08Å; W136-L144 HydrophobicContact CZ3-CG 4.35Å; V138-L144 HydrophobicContact CB-CD1 3.89Å; V138-L144 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CG1-CD1 3.77Å; V138-L144 HydrophobicContact CG1-CG 4.25Å; V138-L144 HydrophobicContact CG2-CD1 3.97Å; G140-L144 PolarHBondContact O-N 3.23Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; E142-L144 PolarHBondContact O-N 3.15Å |
| 145 | K | 70.7 | Confident | 80 | Confident | 150 Ų | 150 | 64.3 Ų | 64.3 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -25.7 | 172.8 | -86.6 | -179.4 | 178.1 | -177.1 | 0 | 111.4 | V73 L141 E142 R147 | V73-K145 HydrophobicContact CG1-CG 4.35Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 3.04Å; E142-K145 PolarHBondContact O-N 3.19Å; K145-R147 PolarHBondContact O-N 3.35Å |
| 146 | E | 76.9 | Confident | 79.6 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | trans | -76.7 | 96.7 | 176.7 | -78.3 | -174.2 | 64 | 0 | 0 | 110.9 | Y69 E142 R148 T149 | Y69-E146 PolarHBondContact OH-O 3.24Å; E142-E146 PolarHBondContact O-N 2.8Å; E146-R148 PolarHBondContact O-N 3.07Å; E146-T149 WeakPolarHBondContact CB-OG1 3.3Å; E146-T149 WeakPolarHBondContact O-CB 3.42Å; E146-T149 PolarHBondContact O-N 3.43Å; E146-T149 PolarHBondContact O-OG1 3.31Å | ||
| 147 | R | 76.6 | Confident | 78.8 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 18% | 0.177 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -51.2 | -28.1 | 169.9 | -60.9 | 178.4 | -172 | -154.7 | 1.1 | 111.7 | D67 Y69 E70 K145 L150 A151 T165 L167 | D67-R147 IonicContact OD1-CZ 3.53Å; D67-R147 IonicContact OD1-NH1 3.46Å; D67-R147 PolarHBondContact OD1-NH1 2.97Å; D67-R147 IonicContact OD1-NH2 2.72Å; D67-R147 PolarHBondContact OD1-NH2 3.32Å; Y69-R147 HydrophobicContact CD1-CG 3.8Å; Y69-R147 HydrophobicContact CE1-CG 3.7Å; Y69-R147 HydrophobicContact CG-CG 4.48Å; E70-R147 IonicContact OE2-NH2 3.39Å; E70-R147 PolarHBondContact OE2-NH2 3.19Å; K145-R147 PolarHBondContact O-N 3.35Å; R147-L150 PolarHBondContact O-N 2.82Å; R147-A151 PolarHBondContact O-N 3.42Å; R147-T165 VanDerWaalsContact NH1-CG2 3.27Å; R147-T165 PolarHBondContact NH1-OG1 3.19Å; R147-L167 HydrophobicContact CB-CD2 3.78Å; R147-L167 WeakPolarHBondContact O-CD2 3.41Å |
| 148 | R | 78.4 | Confident | 78.4 | Confident | 163 Ų | 163 | 65.3 Ų | 65.3 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 174.1 | -168.4 | 174.6 | -178.1 | 168.8 | 1.5 | 112.9 | E146 L150 A151 E152 | E146-R148 PolarHBondContact O-N 3.07Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.86Å; R148-A151 CarbonylContact O-C 3.51Å; R148-A151 WeakPolarHBondContact O-CB 3.31Å; R148-A151 PolarHBondContact O-N 2.89Å; R148-A151 VanDerWaalsContact O-N 3.14Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.82Å |
| 149 | T | 82.1 | Confident | 78.2 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 179.7 | -47.7 | 0 | 0 | 0 | 0 | 111.3 | W136 E146 E152 K153 | W136-T149 HydrophobicContact CZ2-CG2 3.71Å; E146-T149 WeakPolarHBondContact CB-OG1 3.3Å; E146-T149 WeakPolarHBondContact O-CB 3.42Å; E146-T149 PolarHBondContact O-N 3.43Å; E146-T149 PolarHBondContact O-OG1 3.31Å; T149-E152 PolarHBondContact O-N 3.5Å; T149-K153 PolarHBondContact O-N 3.45Å; T149-K153 VanDerWaalsContact O-N 3.12Å |
| 150 | L | 81.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.3 | 179.2 | 62.9 | 0 | 0 | 0 | 111 | Y69 Y86 A88 V101 W136 R147 R148 E152 K153 L154 L162 | Y69-L150 HydrophobicContact CD2-CD2 4.03Å; Y69-L150 HydrophobicContact CE2-CB 4.32Å; Y69-L150 HydrophobicContact CE2-CD2 3.72Å; Y86-L150 HydrophobicContact CD1-CD2 4.33Å; Y86-L150 HydrophobicContact CE1-CD2 4.12Å; A88-L150 HydrophobicContact CB-CD2 4.3Å; V101-L150 HydrophobicContact CB-CD1 4.44Å; V101-L150 HydrophobicContact CG1-CD1 4.13Å; V101-L150 HydrophobicContact CG2-CD1 4.11Å; W136-L150 HydrophobicContact CD2-CD1 4.45Å; W136-L150 HydrophobicContact CE3-CB 4.24Å; W136-L150 HydrophobicContact CE3-CD1 3.62Å; W136-L150 HydrophobicContact CE3-CG 4.47Å; W136-L150 HydrophobicContact CH2-CB 4.02Å; W136-L150 HydrophobicContact CZ3-CB 3.8Å; W136-L150 HydrophobicContact CZ3-CD1 3.86Å; W136-L150 HydrophobicContact CZ3-CG 4.26Å; R147-L150 PolarHBondContact O-N 2.82Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.86Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.24Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-K153 VanDerWaalsContact O-N 3.15Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.42Å; L150-L162 HydrophobicContact CB-CD1 4.12Å; L150-L162 HydrophobicContact CD2-CD1 3.69Å; L150-L162 HydrophobicContact CD2-CD2 3.92Å; L150-L162 HydrophobicContact CD2-CG 4.37Å; L150-L162 HydrophobicContact CG-CD1 3.76Å |
| 151 | A | 83.5 | Confident | 78.2 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R147 R148 K153 L154 G155 G156 I159 L162 L167 | R147-A151 PolarHBondContact O-N 3.42Å; R148-A151 CarbonylContact O-C 3.51Å; R148-A151 WeakPolarHBondContact O-CB 3.31Å; R148-A151 PolarHBondContact O-N 2.89Å; R148-A151 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 2.8Å; A151-L154 PolarHBondContact O-N 2.78Å; A151-L154 VanDerWaalsContact O-N 3.15Å; A151-G155 PolarHBondContact O-N 2.91Å; A151-G156 PolarHBondContact O-N 3.1Å; A151-I159 HydrophobicContact CB-CB 4.3Å; A151-I159 HydrophobicContact CB-CD1 4.1Å; A151-I159 HydrophobicContact CB-CG2 4.39Å; A151-I159 VanDerWaalsContact O-CD1 3.23Å; A151-I159 WeakPolarHBondContact O-CD1 3.48Å; A151-L162 HydrophobicContact CB-CD1 4.11Å; A151-L167 HydrophobicContact CB-CD1 3.28Å; A151-L167 HydrophobicContact CB-CD2 3.76Å; A151-L167 HydrophobicContact CB-CG 4.17Å |
| 152 | E | 83.8 | Confident | 78.6 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.5 | -37.2 | 175 | -74.8 | -162.6 | 98.6 | 0 | 0 | 112.6 | R148 T149 L150 G156 | R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.82Å; T149-E152 PolarHBondContact O-N 3.5Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.24Å; E152-G156 PolarHBondContact O-N 2.75Å |
| 153 | K | 82.3 | Confident | 78.7 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.3 | -29.2 | 174.6 | -74.4 | -46.8 | -168.8 | -164.3 | 0 | 115 | H134 W136 T149 L150 A151 | H134-K153 PolarHBondContact ND1-O 2.83Å; W136-K153 HydrophobicContact CB-CG 4.28Å; W136-K153 HydrophobicContact CG-CG 4.05Å; T149-K153 PolarHBondContact O-N 3.45Å; T149-K153 VanDerWaalsContact O-N 3.12Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-K153 VanDerWaalsContact O-N 3.15Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 2.8Å |
| 154 | L | 80.9 | Confident | 78.7 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -82 | -39.3 | -179.5 | -73.5 | 165.6 | 0 | 0 | 0 | 112.6 | A88 Y90 D99 V101 H134 L150 A151 I159 L162 | A88-L154 HydrophobicContact CB-CD1 3.43Å; A88-L154 VanDerWaalsContact CB-CD1 3.43Å; A88-L154 HydrophobicContact CB-CD2 4.09Å; A88-L154 HydrophobicContact CB-CG 4.34Å; Y90-L154 HydrophobicContact CD1-CB 4.25Å; Y90-L154 HydrophobicContact CD1-CD1 3.83Å; Y90-L154 HydrophobicContact CD1-CD2 4.16Å; Y90-L154 HydrophobicContact CD1-CG 4.31Å; Y90-L154 HydrophobicContact CE1-CB 4.11Å; Y90-L154 HydrophobicContact CE1-CD1 4.33Å; Y90-L154 HydrophobicContact CE1-CD2 3.83Å; Y90-L154 HydrophobicContact CE1-CG 4.32Å; Y90-L154 HydrophobicContact CG-CD1 4.34Å; D99-L154 HydrophobicContact CB-CD2 4.03Å; V101-L154 HydrophobicContact CG2-CD2 3.39Å; V101-L154 HydrophobicContact CG2-CG 4.13Å; H134-L154 PolarHBondContact CE1-O 3.32Å; H134-L154 VanDerWaalsContact CE1-O 3.25Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.42Å; A151-L154 PolarHBondContact O-N 2.78Å; A151-L154 VanDerWaalsContact O-N 3.15Å; L154-I159 HydrophobicContact CB-CD1 3.43Å; L154-I159 VanDerWaalsContact CB-CD1 3.43Å; L154-I159 HydrophobicContact CD1-CD1 4.48Å; L154-L162 HydrophobicContact CD1-CD1 3.96Å |
| 155 | G | 74.3 | Confident | 78.9 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -173.2 | 9.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A151 A158 | A151-G155 PolarHBondContact O-N 2.91Å; G155-A158 PolarHBondContact O-N 3.12Å |
| 156 | G | 78.3 | Confident | 79.1 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | 65.4 | -142.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A151 E152 A158 I159 | A151-G156 PolarHBondContact O-N 3.1Å; E152-G156 PolarHBondContact O-N 2.75Å; G156-A158 PolarHBondContact O-N 3.35Å; G156-A158 VanDerWaalsContact O-N 3.12Å; G156-I159 PolarHBondContact O-N 2.91Å |
| 157 | S | 71.3 | Confident | 78.7 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 87% | 0.874 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68 | -5.9 | -179 | -32.7 | 0 | 0 | 0 | 0 | 114.8 | I159 | S157-I159 VanDerWaalsContact C-N 3.3Š|
| 158 | A | 78.2 | Confident | 78.8 | Confident | 56 Ų | 56 | 56 Ų | 56 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -79.1 | -17 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T92 G155 G156 | T92-A158 WeakPolarHBondContact CA-O 3.46Å; T92-A158 VanDerWaalsContact CB-O 3.29Å; T92-A158 WeakPolarHBondContact CB-O 3.33Å; T92-A158 WeakPolarHBondContact CG2-O 3.03Å; G155-A158 PolarHBondContact O-N 3.12Å; G156-A158 PolarHBondContact O-N 3.35Å; G156-A158 VanDerWaalsContact O-N 3.12Å |
| 159 | I | 81.3 | Confident | 78.8 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.8 | -179.8 | -53.6 | -174.2 | 0 | 0 | 0 | 109.2 | Y90 A151 L154 G156 S157 T161 L167 | Y90-I159 HydrophobicContact CD2-CB 4.5Å; Y90-I159 HydrophobicContact CD2-CD1 3.49Å; Y90-I159 VanDerWaalsContact CD2-CD1 3.49Å; Y90-I159 HydrophobicContact CD2-CG1 3.67Å; Y90-I159 HydrophobicContact CD2-CG2 4.15Å; Y90-I159 HydrophobicContact CE2-CD1 3.91Å; Y90-I159 HydrophobicContact CE2-CG1 4.13Å; Y90-I159 HydrophobicContact CG-CD1 3.87Å; Y90-I159 HydrophobicContact CG-CG1 4.43Å; Y90-I159 HydrophobicContact CG-CG2 4.37Å; A151-I159 HydrophobicContact CB-CB 4.3Å; A151-I159 HydrophobicContact CB-CD1 4.1Å; A151-I159 HydrophobicContact CB-CG2 4.39Å; A151-I159 VanDerWaalsContact O-CD1 3.23Å; A151-I159 WeakPolarHBondContact O-CD1 3.48Å; L154-I159 HydrophobicContact CB-CD1 3.43Å; L154-I159 VanDerWaalsContact CB-CD1 3.43Å; L154-I159 HydrophobicContact CD1-CD1 4.48Å; G156-I159 PolarHBondContact O-N 2.91Å; S157-I159 VanDerWaalsContact C-N 3.3Å; I159-T161 WeakPolarHBondContact CG2-O 3.46Å; I159-L167 HydrophobicContact CB-CD1 3.91Å; I159-L167 HydrophobicContact CG2-CD1 3.53Å |
| 160 | V | 82.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.418 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -42.2 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | E91 K93 L167 | E91-V160 PolarHBondContact O-N 3.02Å; K93-V160 HydrophobicContact CB-CG2 4.43Å; K93-V160 HydrophobicContact CG-CG2 3.51Å; V160-L167 PolarHBondContact O-N 3.42Å |
| 161 | T | 82.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.2 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | Y90 E91 I159 T165 P166 | Y90-T161 CarbonylContact C-O 3.53Å; Y90-T161 VanDerWaalsContact CA-O 3.31Å; Y90-T161 WeakPolarHBondContact CA-O 3.48Å; E91-T161 VanDerWaalsContact CB-OG1 3.31Å; E91-T161 WeakPolarHBondContact CB-OG1 3.29Å; E91-T161 PolarHBondContact N-O 3.02Å; E91-T161 PolarHBondContact O-N 2.68Å; I159-T161 WeakPolarHBondContact CG2-O 3.46Å; T161-T165 CarbonylContact C-O 3.59Å; T161-T165 VanDerWaalsContact CA-O 3.27Å; T161-T165 WeakPolarHBondContact CA-O 3.47Å; T161-T165 WeakPolarHBondContact CB-O 3.43Å; T161-P166 HydrophobicContact CG2-CB 4.49Å |
| 162 | L | 82.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.6 | 174.4 | -171.5 | 142.6 | 0 | 0 | 0 | 108.9 | L150 A151 L154 G164 T165 L167 | L150-L162 HydrophobicContact CB-CD1 4.12Å; L150-L162 HydrophobicContact CD2-CD1 3.69Å; L150-L162 HydrophobicContact CD2-CD2 3.92Å; L150-L162 HydrophobicContact CD2-CG 4.37Å; L150-L162 HydrophobicContact CG-CD1 3.76Å; A151-L162 HydrophobicContact CB-CD1 4.11Å; L154-L162 HydrophobicContact CD1-CD1 3.96Å; L162-G164 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact N-O 2.94Å; L162-T165 PolarHBondContact O-N 3.41Å; L162-T165 VanDerWaalsContact O-O 3.11Å; L162-L167 HydrophobicContact CB-CD1 4.41Å; L162-L167 HydrophobicContact CB-CD2 3.95Å; L162-L167 HydrophobicContact CB-CG 4.16Å |
| 163 | E | 79.8 | Confident | 77.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 33.8 | -175.9 | -62.3 | -69 | 119.9 | 0 | 0 | 113.1 | K35 P68 Y86 T89 T165 | K35-E163 VanDerWaalsContact CE-CD 3.41Å; K35-E163 VanDerWaalsContact CE-OE1 3.25Å; K35-E163 WeakPolarHBondContact CE-OE1 3.38Å; K35-E163 WeakPolarHBondContact CE-OE2 3.28Å; K35-E163 IonicContact NZ-OE1 2.86Å; K35-E163 PolarHBondContact NZ-OE1 2.79Å; K35-E163 IonicContact NZ-OE2 3.95Å; K35-E163 PolarHBondContact NZ-OE2 2.97Å; P68-E163 HydrophobicContact CG-CB 4.42Å; P68-E163 HydrophobicContact CG-CG 4.25Å; P68-E163 WeakPolarHBondContact CG-OE2 3.39Å; Y86-E163 WeakPolarHBondContact OH-CG 3.3Å; Y86-E163 PolarHBondContact OH-OE2 2.87Å; T89-E163 WeakPolarHBondContact CA-OE1 3.25Å; T89-E163 VanDerWaalsContact CB-OE1 3.26Å; T89-E163 WeakPolarHBondContact CB-OE1 3.25Å; T89-E163 PolarHBondContact N-OE1 2.8Å; T89-E163 PolarHBondContact O-N 3.07Å; E163-T165 PolarHBondContact O-N 3.46Å |
| 164 | G | 73 | Confident | 77.4 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 1.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L162 | L162-G164 PolarHBondContact O-N 3.01Š|
| 165 | T | 76 | Confident | 77.1 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.5 | 173.4 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | R147 T161 L162 E163 | R147-T165 VanDerWaalsContact NH1-CG2 3.27Å; R147-T165 PolarHBondContact NH1-OG1 3.19Å; T161-T165 CarbonylContact C-O 3.59Å; T161-T165 VanDerWaalsContact CA-O 3.27Å; T161-T165 WeakPolarHBondContact CA-O 3.47Å; T161-T165 WeakPolarHBondContact CB-O 3.43Å; L162-T165 PolarHBondContact N-O 2.94Å; L162-T165 PolarHBondContact O-N 3.41Å; L162-T165 VanDerWaalsContact O-O 3.11Å; E163-T165 PolarHBondContact O-N 3.46Å |
| 166 | P | 74.2 | Confident | 77.4 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 142.2 | 172.3 | 25.3 | -32.9 | 0 | 0 | 0 | 111.8 | T161 | T161-P166 HydrophobicContact CG2-CB 4.49Å |
| 167 | L | 68.4 | Low | 77.3 | Confident | 101 Ų | 101 | 57 Ų | 57 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | trans | -81.1 | 0 | 176.1 | -71.9 | 163.5 | 0 | 0 | 0 | 112.6 | R147 A151 I159 V160 L162 | R147-L167 HydrophobicContact CB-CD2 3.78Å; R147-L167 WeakPolarHBondContact O-CD2 3.41Å; A151-L167 HydrophobicContact CB-CD1 3.28Å; A151-L167 HydrophobicContact CB-CD2 3.76Å; A151-L167 HydrophobicContact CB-CG 4.17Å; I159-L167 HydrophobicContact CB-CD1 3.91Å; I159-L167 HydrophobicContact CG2-CD1 3.53Å; V160-L167 PolarHBondContact O-N 3.42Å; L162-L167 HydrophobicContact CB-CD1 4.41Å; L162-L167 HydrophobicContact CB-CD2 3.95Å; L162-L167 HydrophobicContact CB-CG 4.16Å |
Retrieved 167 of 167 residues in 122.2 ms
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