| 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 | 53.5 | Low | 81.3 | Confident | 222 Ų | 222 | 77.9 Ų | 77.9 | 100% | 1.094 | 41% | 0.414 | S | S | * | . | 0 | 143.1 | 0 | -96.6 | 177.5 | 158.8 | 0 | 0 | 110.4 | |||||
| 2 | P | 62.6 | Low | 82.3 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 25% | 0.247 | 41% | 0.41 | C | S | . | . | trans | -61.5 | 139.5 | 168 | 27.5 | -31.1 | 0 | 0 | 0 | 109.6 | K6 | P2-K6 HydrophobicContact CB-CD 4.21Š| ||
| 3 | T | 80.5 | Confident | 83.1 | Confident | 69 Ų | 69 | 70 Ų | 70 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | trans | -67.5 | 143.2 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | K5 K6 T7 | T3-K5 PolarHBondContact O-N 3.42Å; T3-K5 VanDerWaalsContact O-N 3.11Å; T3-K6 WeakPolarHBondContact O-CA 3.44Å; T3-K6 VanDerWaalsContact O-CB 3.32Å; T3-K6 WeakPolarHBondContact O-CB 2.78Å; T3-K6 PolarHBondContact O-N 3.06Å; T3-K6 WeakPolarHBondContact OG1-CB 3.48Å; T3-K6 PolarHBondContact OG1-N 3.16Å; T3-T7 PolarHBondContact O-N 3.12Å | ||
| 4 | T | 82.9 | Confident | 83.9 | Confident | 124 Ų | 124 | 67.4 Ų | 67.4 | 76% | 0.761 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -49.8 | -40.4 | 177.8 | 51 | 0 | 0 | 0 | 0 | 113.2 | K6 T7 L8 | T4-K6 VanDerWaalsContact C-N 3.35Å; T4-K6 PolarHBondContact O-N 3.22Å; T4-T7 PolarHBondContact O-N 3.34Å; T4-L8 WeakPolarHBondContact O-CB 3.41Å; T4-L8 PolarHBondContact O-N 3.12Å |
| 5 | K | 83.4 | Confident | 84.7 | Confident | 115 Ų | 115 | 71.3 Ų | 71.3 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175.4 | -64.2 | -166.2 | -178.3 | -167.7 | 0 | 113.4 | T3 M9 | T3-K5 PolarHBondContact O-N 3.42Å; T3-K5 VanDerWaalsContact O-N 3.11Å; K5-M9 HydrophobicContact CB-CE 4.38Å; K5-M9 VanDerWaalsContact O-CG 3.3Å; K5-M9 WeakPolarHBondContact O-CG 3.47Å; K5-M9 PolarHBondContact O-N 3.41Å |
| 6 | K | 84.4 | Confident | 85.4 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.8 | -52.8 | 177.5 | 176 | -172.2 | 162.6 | -166.7 | 0 | 110 | P2 T3 T4 L8 M9 F10 N114 S117 N118 Y201 | P2-K6 HydrophobicContact CB-CD 4.21Å; T3-K6 WeakPolarHBondContact O-CA 3.44Å; T3-K6 VanDerWaalsContact O-CB 3.32Å; T3-K6 WeakPolarHBondContact O-CB 2.78Å; T3-K6 PolarHBondContact O-N 3.06Å; T3-K6 WeakPolarHBondContact OG1-CB 3.48Å; T3-K6 PolarHBondContact OG1-N 3.16Å; T4-K6 VanDerWaalsContact C-N 3.35Å; T4-K6 PolarHBondContact O-N 3.22Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3.13Å; K6-M9 PolarHBondContact O-N 3.1Å; K6-F10 HydrophobicContact CG-CD2 3.7Å; K6-F10 HydrophobicContact CG-CE2 3.95Å; K6-F10 WeakPolarHBondContact O-CD2 3.42Å; K6-F10 PolarHBondContact O-N 3.33Å; K6-N114 WeakPolarHBondContact CE-O 3.37Å; K6-N114 PolarHBondContact NZ-O 3.32Å; K6-S117 PolarHBondContact NZ-O 3.1Å; K6-N118 PolarHBondContact NZ-OD1 2.98Å; K6-Y201 HydrophobicContact CB-CE2 3.76Å; K6-Y201 HydrophobicContact CG-CE2 3.7Å |
| 7 | T | 86 | Confident | 86 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | -178.7 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | T3 T4 M9 L11 S115 | T3-T7 PolarHBondContact O-N 3.12Å; T4-T7 PolarHBondContact O-N 3.34Å; T7-M9 PolarHBondContact O-N 2.96Å; T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 PolarHBondContact O-N 2.88Å; T7-S115 WeakPolarHBondContact CG2-OG 3.48Å; T7-S115 PolarHBondContact O-OG 3.39Å; T7-S115 PolarHBondContact OG1-O 3.35Å |
| 8 | L | 89 | Confident | 86.6 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 64% | 0.644 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.4 | -47.8 | 177.9 | -173.9 | 69.4 | 0 | 0 | 0 | 112.9 | T4 K6 L11 S12 | T4-L8 WeakPolarHBondContact O-CB 3.41Å; T4-L8 PolarHBondContact O-N 3.12Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 PolarHBondContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 3.18Å; L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 3.43Å |
| 9 | M | 90.6 | Very high | 87.1 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.6 | -44.1 | -178.2 | -68.4 | 178.7 | -158.1 | 0 | 0 | 111.9 | K5 K6 T7 S12 S13 I197 Y201 | K5-M9 HydrophobicContact CB-CE 4.38Å; K5-M9 VanDerWaalsContact O-CG 3.3Å; K5-M9 WeakPolarHBondContact O-CG 3.47Å; K5-M9 PolarHBondContact O-N 3.41Å; K6-M9 PolarHBondContact O-N 3.1Å; T7-M9 PolarHBondContact O-N 2.96Å; M9-S12 PolarHBondContact O-N 3.01Å; M9-S13 PolarHBondContact O-N 2.95Å; M9-S13 PolarHBondContact O-OG 2.95Å; M9-I197 HydrophobicContact CB-CG2 4.06Å; M9-I197 WeakPolarHBondContact O-CG2 3.44Å; M9-Y201 WeakPolarHBondContact SD-CA 3.32Å; M9-Y201 WeakPolarHBondContact SD-CB 3.47Å; M9-Y201 HydrophobicContact SD-CD2 3.87Å; M9-Y201 HydrophobicContact SD-CG 4.15Å |
| 10 | F | 89.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 177.5 | -85.8 | -76.3 | 0 | 0 | 0 | 113 | K6 S13 F14 N114 I198 Y201 | K6-F10 HydrophobicContact CG-CD2 3.7Å; K6-F10 HydrophobicContact CG-CE2 3.95Å; K6-F10 WeakPolarHBondContact O-CD2 3.42Å; K6-F10 PolarHBondContact O-N 3.33Å; F10-S13 PolarHBondContact O-N 3.41Å; F10-F14 WeakPolarHBondContact O-CB 3.39Å; F10-F14 PolarHBondContact O-N 3.41Å; F10-N114 HydrophobicContact CB-CB 4.35Å; F10-N114 HydrophobicContact CD1-CB 3.24Å; F10-N114 HydrophobicContact CD2-CB 4.13Å; F10-N114 HydrophobicContact CE1-CB 3.33Å; F10-N114 HydrophobicContact CE2-CB 4.2Å; F10-N114 HydrophobicContact CG-CB 3.66Å; F10-N114 HydrophobicContact CZ-CB 3.83Å; F10-I198 HydrophobicContact CD1-CD1 3.76Å; F10-I198 HydrophobicContact CE1-CD1 3.59Å; F10-I198 HydrophobicContact CG-CD1 4.46Å; F10-I198 HydrophobicContact CZ-CD1 4.16Å; F10-Y201 AromaticContact CE2-CD1 3.71Å; F10-Y201 HydrophobicContact CE2-CD1 3.71Å; F10-Y201 HydrophobicContact CE2-CD2 4.45Å; F10-Y201 AromaticContact CE2-CE1 3.41Å; F10-Y201 HydrophobicContact CE2-CE1 3.41Å; F10-Y201 VanDerWaalsContact CE2-CE1 3.41Å; F10-Y201 HydrophobicContact CE2-CE2 4.22Å; F10-Y201 HydrophobicContact CE2-CG 4.21Å; F10-Y201 AromaticContact CE2-CZ 3.68Å; F10-Y201 HydrophobicContact CZ-CD1 4.03Å; F10-Y201 AromaticContact CZ-CE1 3.84Å; F10-Y201 HydrophobicContact CZ-CE1 3.84Å |
| 11 | L | 91.6 | Very high | 88.1 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 174.4 | -167.3 | 70.2 | 0 | 0 | 0 | 111.3 | T7 L8 F14 F15 | T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 3.18Å; L11-F14 HydrophobicContact CD1-CD1 4.24Å; L11-F14 WeakPolarHBondContact O-CB 3.38Å; L11-F14 PolarHBondContact O-N 3.49Å; L11-F15 HydrophobicContact CD1-CE2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 4.17Å; L11-F15 HydrophobicContact CG-CD2 4.27Å; L11-F15 HydrophobicContact CG-CE2 3.75Å; L11-F15 WeakPolarHBondContact O-CD2 3.38Å; L11-F15 PolarHBondContact O-N 2.97Å; L11-F15 VanDerWaalsContact O-N 3.1Å |
| 12 | S | 93 | Very high | 90.2 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | L8 M9 F14 F15 T16 | L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 3.43Å; M9-S12 PolarHBondContact O-N 3.01Å; S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.21Å; S12-F15 PolarHBondContact O-N 3.18Å; S12-T16 PolarHBondContact O-N 3.48Å; S12-T16 VanDerWaalsContact O-N 3.14Å; S12-T16 PolarHBondContact O-OG1 3.11Å |
| 13 | S | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -33.5 | 173.7 | -65 | 0 | 0 | 0 | 0 | 113.3 | M9 F10 T16 S17 I197 I198 | M9-S13 PolarHBondContact O-N 2.95Å; M9-S13 PolarHBondContact O-OG 2.95Å; F10-S13 PolarHBondContact O-N 3.41Å; S13-T16 WeakPolarHBondContact CA-OG1 3.32Å; S13-T16 PolarHBondContact O-N 2.91Å; S13-T16 PolarHBondContact O-OG1 3.34Å; S13-S17 WeakPolarHBondContact O-CB 3.18Å; S13-S17 PolarHBondContact O-N 3.3Å; S13-S17 PolarHBondContact O-OG 2.93Å; S13-I197 WeakPolarHBondContact OG-CB 3.41Å; S13-I197 WeakPolarHBondContact OG-CG2 3.3Å; S13-I198 VanDerWaalsContact OG-CD1 3.28Å; S13-I198 WeakPolarHBondContact OG-CD1 3.46Å |
| 14 | F | 94.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 174.1 | 164.5 | -107.7 | 0 | 0 | 0 | 111.5 | F10 L11 S12 T16 S17 L18 S108 T111 F112 | F10-F14 WeakPolarHBondContact O-CB 3.39Å; F10-F14 PolarHBondContact O-N 3.41Å; L11-F14 HydrophobicContact CD1-CD1 4.24Å; L11-F14 WeakPolarHBondContact O-CB 3.38Å; L11-F14 PolarHBondContact O-N 3.49Å; S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.21Å; F14-T16 VanDerWaalsContact C-N 3.3Å; F14-T16 PolarHBondContact O-N 2.87Å; F14-S17 PolarHBondContact O-N 2.97Å; F14-L18 HydrophobicContact CE1-CD2 4.25Å; F14-L18 HydrophobicContact CZ-CD2 3.98Å; F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.39Å; F14-L18 PolarHBondContact O-N 3.45Å; F14-S108 VanDerWaalsContact CD2-O 3.32Å; F14-S108 WeakPolarHBondContact CD2-O 3.3Å; F14-S108 VanDerWaalsContact CD2-OG 3.23Å; F14-S108 WeakPolarHBondContact CD2-OG 3.41Å; F14-S108 WeakPolarHBondContact CE2-OG 3.46Å; F14-T111 VanDerWaalsContact CA-OG1 3.24Å; F14-T111 WeakPolarHBondContact CA-OG1 3.43Å; F14-F112 HydrophobicContact CD1-CD2 4.28Å; F14-F112 HydrophobicContact CD2-CB 3.62Å; F14-F112 HydrophobicContact CD2-CD2 4.28Å; F14-F112 HydrophobicContact CD2-CG 4.36Å; F14-F112 HydrophobicContact CE1-CD2 4.15Å; F14-F112 HydrophobicContact CE2-CB 3.83Å; F14-F112 HydrophobicContact CE2-CD2 4.11Å; F14-F112 HydrophobicContact CE2-CG 4.22Å; F14-F112 HydrophobicContact CG-CB 4.19Å; F14-F112 HydrophobicContact CG-CD2 4.33Å; F14-F112 HydrophobicContact CZ-CD2 4.05Å |
| 15 | F | 96.3 | Very high | 93.3 | Very high | 126 Ų | 126 | 44 Ų | 44 | 55% | 0.553 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.1 | -36.3 | 178.4 | -73.3 | -62.6 | 0 | 0 | 0 | 112.7 | L11 S12 G19 | L11-F15 HydrophobicContact CD1-CE2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 4.17Å; L11-F15 HydrophobicContact CG-CD2 4.27Å; L11-F15 HydrophobicContact CG-CE2 3.75Å; L11-F15 WeakPolarHBondContact O-CD2 3.38Å; L11-F15 PolarHBondContact O-N 2.97Å; L11-F15 VanDerWaalsContact O-N 3.1Å; S12-F15 PolarHBondContact O-N 3.18Å; F15-G19 PolarHBondContact O-N 3.4Å |
| 16 | T | 95.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 177 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | S12 S13 F14 G19 S20 V193 T194 I197 | S12-T16 PolarHBondContact O-N 3.48Å; S12-T16 VanDerWaalsContact O-N 3.14Å; S12-T16 PolarHBondContact O-OG1 3.11Å; S13-T16 WeakPolarHBondContact CA-OG1 3.32Å; S13-T16 PolarHBondContact O-N 2.91Å; S13-T16 PolarHBondContact O-OG1 3.34Å; F14-T16 VanDerWaalsContact C-N 3.3Å; F14-T16 PolarHBondContact O-N 2.87Å; T16-G19 PolarHBondContact O-N 3.17Å; T16-S20 PolarHBondContact O-N 3.41Å; T16-V193 HydrophobicContact CG2-CG1 3.97Å; T16-T194 VanDerWaalsContact CB-OG1 3.31Å; T16-T194 WeakPolarHBondContact CB-OG1 3.5Å; T16-T194 PolarHBondContact OG1-OG1 3.49Å; T16-I197 HydrophobicContact CG2-CD1 4.28Å |
| 17 | S | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 173 | -75.2 | 0 | 0 | 0 | 0 | 112.9 | S13 F14 S20 F21 S107 T194 | S13-S17 WeakPolarHBondContact O-CB 3.18Å; S13-S17 PolarHBondContact O-N 3.3Å; S13-S17 PolarHBondContact O-OG 2.93Å; F14-S17 PolarHBondContact O-N 2.97Å; S17-S20 WeakPolarHBondContact O-CB 3.25Å; S17-S20 PolarHBondContact O-N 3.22Å; S17-F21 PolarHBondContact O-N 2.87Å; S17-S107 PolarHBondContact OG-OG 3.39Å; S17-T194 WeakPolarHBondContact OG-CG2 3.41Å |
| 18 | L | 97 | Very high | 94.7 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.2 | -40 | 175 | -175.9 | 66.4 | 0 | 0 | 0 | 111.3 | F14 S20 F21 I22 | F14-L18 HydrophobicContact CE1-CD2 4.25Å; F14-L18 HydrophobicContact CZ-CD2 3.98Å; F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.39Å; F14-L18 PolarHBondContact O-N 3.45Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.94Å; L18-F21 HydrophobicContact CD1-CD1 4.29Å; L18-F21 WeakPolarHBondContact O-CB 3.42Å; L18-F21 PolarHBondContact O-N 2.91Å; L18-I22 HydrophobicContact CG-CD1 4.05Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 2.69Å |
| 19 | G | 97.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F15 T16 F21 I22 V23 | F15-G19 PolarHBondContact O-N 3.4Å; T16-G19 PolarHBondContact O-N 3.17Å; G19-F21 PolarHBondContact O-N 2.75Å; G19-I22 PolarHBondContact O-N 3Å; G19-V23 VanDerWaalsContact O-CG2 3.27Å; G19-V23 WeakPolarHBondContact O-CG2 3.12Å; G19-V23 PolarHBondContact O-N 3.18Å |
| 20 | S | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | 174.5 | 176 | 0 | 0 | 0 | 0 | 111.6 | T16 S17 L18 I22 V23 I24 I187 | T16-S20 PolarHBondContact O-N 3.41Å; S17-S20 WeakPolarHBondContact O-CB 3.25Å; S17-S20 PolarHBondContact O-N 3.22Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.94Å; S20-I22 PolarHBondContact O-N 3.27Å; S20-V23 PolarHBondContact O-N 2.97Å; S20-I24 VanDerWaalsContact O-CG1 3.25Å; S20-I24 WeakPolarHBondContact O-CG1 3.35Å; S20-I24 PolarHBondContact O-N 3.49Å; S20-I187 WeakPolarHBondContact OG-CG2 3.32Å |
| 21 | F | 97.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 21% | 0.211 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.1 | -47.1 | 175.2 | 171.6 | -96.9 | 0 | 0 | 0 | 112.7 | S17 L18 G19 I24 C25 L101 S104 L105 | S17-F21 PolarHBondContact O-N 2.87Å; L18-F21 HydrophobicContact CD1-CD1 4.29Å; L18-F21 WeakPolarHBondContact O-CB 3.42Å; L18-F21 PolarHBondContact O-N 2.91Å; G19-F21 PolarHBondContact O-N 2.75Å; F21-I24 PolarHBondContact O-N 3.37Å; F21-C25 PolarHBondContact O-N 3.31Å; F21-C25 PolarHBondContact O-SG 3.37Å; F21-L101 HydrophobicContact CD2-CD1 3.45Å; F21-L101 VanDerWaalsContact CD2-CD1 3.45Å; F21-L101 HydrophobicContact CD2-CG 4.05Å; F21-L101 HydrophobicContact CE2-CD1 3.48Å; F21-L101 VanDerWaalsContact CE2-CD1 3.48Å; F21-L101 HydrophobicContact CE2-CG 3.84Å; F21-L101 HydrophobicContact CG-CD1 4.31Å; F21-L101 HydrophobicContact CZ-CD1 4.35Å; F21-S104 WeakPolarHBondContact CA-OG 3.45Å; F21-S104 WeakPolarHBondContact CB-OG 3.38Å; F21-L105 HydrophobicContact CD2-CB 3.9Å; F21-L105 HydrophobicContact CD2-CD1 4.29Å; F21-L105 HydrophobicContact CE2-CB 4.04Å; F21-L105 HydrophobicContact CE2-CD1 4.1Å; F21-L105 HydrophobicContact CE2-CD2 4.33Å; F21-L105 HydrophobicContact CE2-CG 4.39Å; F21-L105 HydrophobicContact CZ-CD1 4.36Å |
| 22 | I | 97.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 37.5 Ų | 37.5 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 179.3 | -68.6 | 166.4 | 0 | 0 | 0 | 110.6 | L18 G19 S20 I24 C25 S26 | L18-I22 HydrophobicContact CG-CD1 4.05Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 2.69Å; G19-I22 PolarHBondContact O-N 3Å; S20-I22 PolarHBondContact O-N 3.27Å; I22-I24 VanDerWaalsContact C-N 3.32Å; I22-I24 PolarHBondContact O-N 3.41Å; I22-C25 WeakPolarHBondContact O-CB 3.38Å; I22-C25 PolarHBondContact O-N 2.92Å; I22-S26 PolarHBondContact O-N 3.47Å; I22-S26 PolarHBondContact O-OG 3.47Å; I22-S26 VanDerWaalsContact O-OG 3.12Å |
| 23 | V | 97.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 35 Ų | 35 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.6 | G19 S20 C25 S26 I27 L183 L186 I187 L190 | G19-V23 VanDerWaalsContact O-CG2 3.27Å; G19-V23 WeakPolarHBondContact O-CG2 3.12Å; G19-V23 PolarHBondContact O-N 3.18Å; S20-V23 PolarHBondContact O-N 2.97Å; V23-C25 VanDerWaalsContact C-N 3.35Å; V23-C25 PolarHBondContact O-N 3.39Å; V23-S26 WeakPolarHBondContact O-CB 3.29Å; V23-S26 PolarHBondContact O-N 3.34Å; V23-S26 VanDerWaalsContact O-N 3.15Å; V23-I27 HydrophobicContact CG1-CG2 4.43Å; V23-I27 WeakPolarHBondContact O-CG1 3.19Å; V23-I27 WeakPolarHBondContact O-CG2 3.46Å; V23-I27 PolarHBondContact O-N 2.89Å; V23-L183 HydrophobicContact CG1-CB 3.88Å; V23-L183 HydrophobicContact CG1-CD1 4.4Å; V23-L183 HydrophobicContact CG1-CD2 4.27Å; V23-L183 HydrophobicContact CG1-CG 4.41Å; V23-L186 HydrophobicContact CG2-CD2 4.09Å; V23-I187 HydrophobicContact CB-CD1 4.38Å; V23-I187 HydrophobicContact CB-CG1 3.94Å; V23-I187 HydrophobicContact CG1-CD1 3.81Å; V23-I187 HydrophobicContact CG1-CG1 3.6Å; V23-L190 HydrophobicContact CG2-CD1 4.46Å |
| 24 | I | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.5 | -62.8 | 160.6 | 0 | 0 | 0 | 111 | S20 F21 I22 S26 I27 L28 L97 L101 I187 | S20-I24 VanDerWaalsContact O-CG1 3.25Å; S20-I24 WeakPolarHBondContact O-CG1 3.35Å; S20-I24 PolarHBondContact O-N 3.49Å; F21-I24 PolarHBondContact O-N 3.37Å; I22-I24 VanDerWaalsContact C-N 3.32Å; I22-I24 PolarHBondContact O-N 3.41Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.28Å; I24-I27 WeakPolarHBondContact O-CG1 3.33Å; I24-I27 PolarHBondContact O-N 2.94Å; I24-L28 HydrophobicContact CG2-CD1 4.07Å; I24-L28 WeakPolarHBondContact O-CB 3.31Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.49Å; I24-L97 HydrophobicContact CG2-CD1 4.06Å; I24-L97 HydrophobicContact CG2-CG 4.21Å; I24-L101 HydrophobicContact CB-CD1 3.82Å; I24-L101 HydrophobicContact CG2-CB 3.8Å; I24-L101 HydrophobicContact CG2-CD1 3.63Å; I24-L101 HydrophobicContact CG2-CG 4.3Å; I24-I187 HydrophobicContact CB-CD1 4.4Å; I24-I187 HydrophobicContact CD1-CG2 4.14Å; I24-I187 HydrophobicContact CG1-CD1 3.44Å; I24-I187 VanDerWaalsContact CG1-CD1 3.44Å; I24-I187 HydrophobicContact CG1-CG1 3.96Å; I24-I187 HydrophobicContact CG1-CG2 4.15Å |
| 25 | C | 96.4 | Very high | 94.7 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.2 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | F21 I22 V23 L28 G29 L101 | F21-C25 PolarHBondContact O-N 3.31Å; F21-C25 PolarHBondContact O-SG 3.37Å; I22-C25 WeakPolarHBondContact O-CB 3.38Å; I22-C25 PolarHBondContact O-N 2.92Å; V23-C25 VanDerWaalsContact C-N 3.35Å; V23-C25 PolarHBondContact O-N 3.39Å; C25-L28 PolarHBondContact O-N 3.5Å; C25-G29 PolarHBondContact O-N 2.96Å; C25-G29 VanDerWaalsContact O-N 3.1Å; C25-L101 VanDerWaalsContact SG-CD1 3.51Å |
| 26 | S | 95.5 | Very high | 94.4 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | I22 V23 I24 L28 G29 T30 | I22-S26 PolarHBondContact O-N 3.47Å; I22-S26 PolarHBondContact O-OG 3.47Å; I22-S26 VanDerWaalsContact O-OG 3.12Å; V23-S26 WeakPolarHBondContact O-CB 3.29Å; V23-S26 PolarHBondContact O-N 3.34Å; V23-S26 VanDerWaalsContact O-N 3.15Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.28Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 2.87Å; S26-G29 PolarHBondContact O-N 3.45Å; S26-T30 WeakPolarHBondContact O-CB 3.42Å; S26-T30 VanDerWaalsContact O-CG2 3.23Å; S26-T30 WeakPolarHBondContact O-CG2 3.47Å; S26-T30 PolarHBondContact O-N 3.22Å; S26-T30 PolarHBondContact O-OG1 3.45Å |
| 27 | I | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -31.5 | 179.2 | 65.2 | 175.9 | 0 | 0 | 0 | 112 | V23 I24 T30 W33 L97 S180 L183 I184 I187 | V23-I27 HydrophobicContact CG1-CG2 4.43Å; V23-I27 WeakPolarHBondContact O-CG1 3.19Å; V23-I27 WeakPolarHBondContact O-CG2 3.46Å; V23-I27 PolarHBondContact O-N 2.89Å; I24-I27 WeakPolarHBondContact O-CG1 3.33Å; I24-I27 PolarHBondContact O-N 2.94Å; I27-T30 WeakPolarHBondContact CA-OG1 3.36Å; I27-T30 PolarHBondContact O-OG1 3.35Å; I27-W33 HydrophobicContact CB-CZ2 3.81Å; I27-W33 HydrophobicContact CD1-CH2 4.37Å; I27-W33 HydrophobicContact CD1-CZ2 4.02Å; I27-W33 HydrophobicContact CG1-CZ2 4.02Å; I27-W33 PolarHBondContact O-NE1 3.01Å; I27-L97 HydrophobicContact CD1-CD1 3.8Å; I27-L97 HydrophobicContact CD1-CD2 4.26Å; I27-L97 HydrophobicContact CG1-CD2 4.35Å; I27-S180 WeakPolarHBondContact CG2-O 3.28Å; I27-L183 HydrophobicContact CG2-CB 3.58Å; I27-L183 HydrophobicContact CG2-CD1 3.81Å; I27-L183 HydrophobicContact CG2-CG 4.35Å; I27-I184 HydrophobicContact CD1-CG1 4.09Å; I27-I187 HydrophobicContact CD1-CD1 3.53Å |
| 28 | L | 94.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 172.4 | -81.1 | 164.5 | 0 | 0 | 0 | 112.4 | I24 C25 S26 L55 F56 L97 L101 | I24-L28 HydrophobicContact CG2-CD1 4.07Å; I24-L28 WeakPolarHBondContact O-CB 3.31Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.49Å; C25-L28 PolarHBondContact O-N 3.5Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact O-N 2.87Å; L28-L55 HydrophobicContact CD2-CD1 4.25Å; L28-F56 HydrophobicContact CD2-CE2 3.93Å; L28-F56 HydrophobicContact CD2-CZ 4.22Å; L28-F56 WeakPolarHBondContact O-CD2 3.28Å; L28-L97 HydrophobicContact CD2-CD2 3.6Å; L28-L97 HydrophobicContact CD2-CG 4.09Å; L28-L97 HydrophobicContact CG-CD2 3.81Å; L28-L97 HydrophobicContact CG-CG 4.18Å; L28-L101 HydrophobicContact CD1-CD2 4.11Å |
| 29 | G | 90.3 | Very high | 92.7 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 67% | 0.67 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -85.1 | -20.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C25 S26 | C25-G29 PolarHBondContact O-N 2.96Å; C25-G29 VanDerWaalsContact O-N 3.1Å; S26-G29 PolarHBondContact O-N 3.45Å |
| 30 | T | 92.2 | Very high | 91.6 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | trans | -89.9 | 149.1 | -174.3 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | S26 I27 Y179 S180 | S26-T30 WeakPolarHBondContact O-CB 3.42Å; S26-T30 VanDerWaalsContact O-CG2 3.23Å; S26-T30 WeakPolarHBondContact O-CG2 3.47Å; S26-T30 PolarHBondContact O-N 3.22Å; S26-T30 PolarHBondContact O-OG1 3.45Å; I27-T30 WeakPolarHBondContact CA-OG1 3.36Å; I27-T30 PolarHBondContact O-OG1 3.35Å; T30-Y179 HydrophobicContact CG2-CE2 4.31Å; T30-Y179 WeakPolarHBondContact CG2-OH 3.33Å; T30-S180 WeakPolarHBondContact CB-OG 3.32Å; T30-S180 WeakPolarHBondContact OG1-CB 3.33Å; T30-S180 PolarHBondContact OG1-OG 2.97Å | ||
| 31 | Q | 88.3 | Confident | 90.2 | Very high | 68 Ų | 68 | 37.3 Ų | 37.3 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97.7 | 6.5 | -177.4 | -58.6 | 176.5 | 15.8 | 0 | 0 | 113 | W33 Y53 G54 R57 | Q31-W33 PolarHBondContact O-N 3.2Å; Q31-Y53 CarbonylContact O-C 3.59Å; Q31-Y53 WeakPolarHBondContact O-CA 3.31Å; Q31-Y53 VanDerWaalsContact O-O 3.1Å; Q31-G54 PolarHBondContact O-N 3.26Å; Q31-G54 VanDerWaalsContact O-N 3.12Å; Q31-R57 HydrophobicContact CG-CB 4.24Å |
| 32 | A | 90.5 | Very high | 88.5 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | trans | -103.4 | 47.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G178 Y179 S180 | A32-G178 CarbonylContact O-C 3.56Å; A32-G178 VanDerWaalsContact O-C 3.31Å; A32-G178 VanDerWaalsContact O-CA 3.27Å; A32-G178 WeakPolarHBondContact O-CA 3.38Å; A32-Y179 HydrophobicContact CB-CD1 3.76Å; A32-Y179 HydrophobicContact CB-CE1 3.18Å; A32-Y179 HydrophobicContact CB-CE2 4.5Å; A32-Y179 PolarHBondContact O-N 2.85Å; A32-S180 WeakPolarHBondContact O-CB 3.4Å; A32-S180 PolarHBondContact O-N 3.15Å; A32-S180 PolarHBondContact O-OG 2.74Å | ||
| 33 | W | 93.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -81.5 | -42.7 | 175.4 | -79.6 | 60.1 | 0 | 0 | 0 | 111.6 | I27 Q31 Y53 L55 L97 T143 F147 G178 S180 F181 I184 | I27-W33 HydrophobicContact CB-CZ2 3.81Å; I27-W33 HydrophobicContact CD1-CH2 4.37Å; I27-W33 HydrophobicContact CD1-CZ2 4.02Å; I27-W33 HydrophobicContact CG1-CZ2 4.02Å; I27-W33 PolarHBondContact O-NE1 3.01Å; Q31-W33 PolarHBondContact O-N 3.2Å; W33-Y53 WeakPolarHBondContact CB-O 3.44Å; W33-Y53 PolarHBondContact N-O 3.35Å; W33-L55 HydrophobicContact CD2-CD1 4.22Å; W33-L55 HydrophobicContact CD2-CG 4.34Å; W33-L55 HydrophobicContact CH2-CD1 3.89Å; W33-L55 HydrophobicContact CH2-CD2 4.43Å; W33-L55 HydrophobicContact CH2-CG 4.4Å; W33-L55 HydrophobicContact CZ2-CD1 3.24Å; W33-L55 HydrophobicContact CZ2-CG 4.07Å; W33-L97 HydrophobicContact CH2-CD2 3.94Å; W33-L97 HydrophobicContact CZ2-CD2 3.92Å; W33-T143 HydrophobicContact CH2-CG2 4.23Å; W33-T143 HydrophobicContact CZ3-CG2 4.45Å; W33-F147 HydrophobicContact CB-CE1 4.28Å; W33-F147 HydrophobicContact CB-CE2 4.49Å; W33-F147 HydrophobicContact CB-CZ 3.81Å; W33-F147 HydrophobicContact CE3-CD1 4.04Å; W33-F147 AromaticContact CE3-CD2 3.91Å; W33-F147 HydrophobicContact CE3-CD2 3.91Å; W33-F147 AromaticContact CE3-CE1 3.99Å; W33-F147 HydrophobicContact CE3-CE1 3.99Å; W33-F147 AromaticContact CE3-CE2 3.86Å; W33-F147 HydrophobicContact CE3-CE2 3.86Å; W33-F147 AromaticContact CE3-CG 3.99Å; W33-F147 HydrophobicContact CE3-CG 3.99Å; W33-F147 AromaticContact CE3-CZ 3.91Å; W33-F147 HydrophobicContact CE3-CZ 3.91Å; W33-F147 HydrophobicContact CZ3-CD1 4.5Å; W33-F147 HydrophobicContact CZ3-CD2 4.21Å; W33-F147 HydrophobicContact CZ3-CG 4.15Å; W33-G178 PolarHBondContact O-N 2.67Å; W33-S180 VanDerWaalsContact CD1-CB 3.42Å; W33-F181 HydrophobicContact CE3-CD2 4.28Å; W33-F181 HydrophobicContact CZ3-CD2 4.48Å; W33-F181 WeakPolarHBondContact O-CB 3.38Å; W33-I184 HydrophobicContact CH2-CD1 3.78Å; W33-I184 HydrophobicContact CH2-CG1 4.41Å; W33-I184 HydrophobicContact CZ3-CD1 3.78Å |
| 34 | I | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.2 | -178.3 | -170.7 | 171.6 | 0 | 0 | 0 | 110 | T52 Y53 F147 T151 H175 S176 Y177 | I34-T52 WeakPolarHBondContact O-CA 3.43Å; I34-Y53 HydrophobicContact CG2-CD1 3.78Å; I34-Y53 HydrophobicContact CG2-CD2 3.79Å; I34-Y53 HydrophobicContact CG2-CE1 3.38Å; I34-Y53 HydrophobicContact CG2-CE2 3.37Å; I34-Y53 HydrophobicContact CG2-CG 3.99Å; I34-Y53 PolarHBondContact N-O 3.1Å; I34-Y53 PolarHBondContact O-N 2.96Å; I34-F147 HydrophobicContact CB-CE1 4.28Å; I34-F147 HydrophobicContact CB-CZ 4.29Å; I34-F147 HydrophobicContact CG2-CE1 4.34Å; I34-F147 HydrophobicContact CG2-CZ 3.88Å; I34-T151 HydrophobicContact CD1-CG2 3.75Å; I34-H175 HydrophobicContact CD1-CB 4.04Å; I34-S176 CarbonylContact C-O 3.31Å; I34-S176 WeakPolarHBondContact CA-O 3.42Å; I34-S176 WeakPolarHBondContact CG1-O 3.44Å; I34-Y177 HydrophobicContact CD1-CD1 4.43Å; I34-Y177 HydrophobicContact CD1-CE1 4.08Å |
| 35 | T | 92.2 | Very high | 82.8 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.1 | 168.5 | -62 | 0 | 0 | 0 | 0 | 107.5 | I51 T52 S176 | T35-I51 WeakPolarHBondContact CA-O 3.04Å; T35-T52 WeakPolarHBondContact CG2-OG1 3.35Å; T35-T52 PolarHBondContact OG1-OG1 3.28Å; T35-S176 PolarHBondContact N-O 3.3Å; T35-S176 PolarHBondContact O-N 3.04Å |
| 36 | S | 89.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.3 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | F50 I51 S157 T174 H175 | S36-F50 WeakPolarHBondContact O-CA 3.49Å; S36-I51 PolarHBondContact N-O 3.25Å; S36-I51 PolarHBondContact O-N 3.22Å; S36-S157 WeakPolarHBondContact OG-CB 3.12Å; S36-S157 PolarHBondContact OG-OG 3.17Å; S36-T174 CarbonylContact C-O 3.59Å; S36-T174 WeakPolarHBondContact CA-O 3.5Å; S36-H175 PolarHBondContact OG-ND1 3.42Å |
| 37 | T | 87.3 | Confident | 80.8 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.6 | 175.7 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | F50 T173 T174 | T37-F50 HydrophobicContact CG2-CD1 3.87Å; T37-F50 HydrophobicContact CG2-CE1 3.49Å; T37-F50 VanDerWaalsContact CG2-CE1 3.49Å; T37-F50 HydrophobicContact CG2-CZ 4.14Å; T37-F50 WeakPolarHBondContact OG1-CD1 3.48Å; T37-F50 WeakPolarHBondContact OG1-CE1 3.49Å; T37-T173 WeakPolarHBondContact O-CA 3.37Å; T37-T174 PolarHBondContact N-O 3.03Å; T37-T174 PolarHBondContact O-N 3.37Å |
| 38 | I | 83.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.5 | -176.3 | -54.2 | -177.2 | 0 | 0 | 0 | 107.8 | V40 S48 I49 I51 F161 T173 | I38-V40 HydrophobicContact CG2-CG2 4.47Å; I38-V40 PolarHBondContact O-N 3.35Å; I38-S48 WeakPolarHBondContact O-CA 3.43Å; I38-I49 PolarHBondContact N-O 3.48Å; I38-I49 PolarHBondContact O-N 3.2Å; I38-I51 HydrophobicContact CD1-CD1 3.81Å; I38-I51 HydrophobicContact CD1-CG1 4.39Å; I38-F161 HydrophobicContact CB-CD2 4.3Å; I38-F161 HydrophobicContact CB-CE2 4.42Å; I38-F161 HydrophobicContact CD1-CB 3.38Å; I38-F161 HydrophobicContact CD1-CD1 4.45Å; I38-F161 HydrophobicContact CD1-CD2 3.6Å; I38-F161 HydrophobicContact CD1-CG 3.56Å; I38-F161 HydrophobicContact CG2-CD1 4.38Å; I38-F161 HydrophobicContact CG2-CD2 4.07Å; I38-F161 HydrophobicContact CG2-CE1 4.34Å; I38-F161 HydrophobicContact CG2-CE2 4Å; I38-F161 HydrophobicContact CG2-CG 4.26Å; I38-F161 HydrophobicContact CG2-CZ 4.16Å; I38-T173 HydrophobicContact CB-CG2 4.43Å; I38-T173 HydrophobicContact CD1-CG2 4.08Å; I38-T173 HydrophobicContact CG1-CG2 3.76Å; I38-T173 HydrophobicContact CG2-CG2 4.2Å |
| 39 | A | 81.2 | Confident | 79.6 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K171 G172 | A39-K171 PolarHBondContact O-N 3.41Å; A39-G172 PolarHBondContact N-O 2.88Å; A39-G172 VanDerWaalsContact N-O 3.16Å |
| 40 | V | 74.8 | Confident | 79.5 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.3 | -179.4 | 169 | 0 | 0 | 0 | 0 | 109.6 | I38 G47 I49 F161 T168 | I38-V40 HydrophobicContact CG2-CG2 4.47Å; I38-V40 PolarHBondContact O-N 3.35Å; V40-G47 PolarHBondContact N-O 2.74Å; V40-G47 PolarHBondContact O-N 2.91Å; V40-G47 VanDerWaalsContact O-O 3.08Å; V40-I49 HydrophobicContact CG2-CB 4.42Å; V40-I49 HydrophobicContact CG2-CD1 3.93Å; V40-I49 HydrophobicContact CG2-CG1 3.9Å; V40-F161 HydrophobicContact CG2-CE2 3.83Å; V40-F161 HydrophobicContact CG2-CZ 3.6Å; V40-T168 HydrophobicContact CB-CG2 4.1Å; V40-T168 HydrophobicContact CG1-CG2 3.15Å; V40-T168 HydrophobicContact CG2-CG2 3.81Å |
| 41 | R | 66.8 | Low | 79.4 | Confident | 149 Ų | 149 | 44 Ų | 44 | 56% | 0.562 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 102.3 | 166.6 | -168.3 | -179 | -141.6 | -171.7 | 3.1 | 107.9 | K171 | R41-K171 HydrophobicContact CB-CD 4.37Å |
| 42 | D | 63.4 | Low | 79.5 | Confident | 86 Ų | 86 | 42.8 Ų | 42.8 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | trans | -89.9 | 161.8 | 168.3 | -159.5 | 0.5 | 0 | 0 | 0 | 109.5 | A44 S45 | D42-A44 PolarHBondContact O-N 3.02Å; D42-S45 PolarHBondContact N-O 3.24Å; D42-S45 VanDerWaalsContact N-O 3.08Å; D42-S45 PolarHBondContact O-N 3.17Å | ||
| 43 | S | 57.2 | Low | 79.7 | Confident | 130 Ų | 130 | 41.8 Ų | 41.8 | 91% | 0.909 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -59.8 | -18.2 | -175.7 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 44 | A | 56.1 | Low | 79.7 | Confident | 96 Ų | 96 | 41.9 Ų | 41.9 | 79% | 0.793 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -114.7 | -22.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D42 | D42-A44 PolarHBondContact O-N 3.02Š|
| 45 | S | 58.7 | Low | 79.7 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | trans | -158.4 | 156.6 | -179.1 | 68 | 0 | 0 | 0 | 0 | 114 | D42 H66 | D42-S45 PolarHBondContact N-O 3.24Å; D42-S45 VanDerWaalsContact N-O 3.08Å; D42-S45 PolarHBondContact O-N 3.17Å; S45-H66 WeakPolarHBondContact CB-O 3.25Å; S45-H66 PolarHBondContact OG-O 2.92Å; S45-H66 VanDerWaalsContact OG-O 3.04Å | ||
| 46 | N | 71.3 | Confident | 79.7 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.6 | 169.2 | -63.1 | -31.1 | 0 | 0 | 0 | 108.9 | S65 | N46-S65 WeakPolarHBondContact O-CB 3.38Å; N46-S65 PolarHBondContact O-N 3.48Å; N46-S65 PolarHBondContact O-OG 2.72Å |
| 47 | G | 76.9 | Confident | 79.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 168.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V40 E63 | V40-G47 PolarHBondContact N-O 2.74Å; V40-G47 PolarHBondContact O-N 2.91Å; V40-G47 VanDerWaalsContact O-O 3.08Å; G47-E63 WeakPolarHBondContact CA-O 3.38Å |
| 48 | S | 81.6 | Confident | 80.1 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.9 | 172.4 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | I38 E63 | I38-S48 WeakPolarHBondContact O-CA 3.43Å; S48-E63 PolarHBondContact N-O 3.33Å; S48-E63 PolarHBondContact O-N 3.05Å |
| 49 | I | 84.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.4 | 173.6 | -62.5 | -168.2 | 0 | 0 | 0 | 107.9 | I38 V40 I51 Q62 F161 Y165 | I38-I49 PolarHBondContact N-O 3.48Å; I38-I49 PolarHBondContact O-N 3.2Å; V40-I49 HydrophobicContact CG2-CB 4.42Å; V40-I49 HydrophobicContact CG2-CD1 3.93Å; V40-I49 HydrophobicContact CG2-CG1 3.9Å; I49-I51 HydrophobicContact CG2-CG1 4.15Å; I49-Q62 HydrophobicContact CD1-CG 4.07Å; I49-Q62 HydrophobicContact CG1-CB 4.44Å; I49-Q62 HydrophobicContact CG1-CG 4.06Å; I49-F161 HydrophobicContact CB-CE2 4.15Å; I49-F161 HydrophobicContact CD1-CE2 3.85Å; I49-F161 HydrophobicContact CG1-CE2 4.4Å; I49-F161 HydrophobicContact CG2-CD2 4.36Å; I49-F161 HydrophobicContact CG2-CE2 4.27Å; I49-Y165 HydrophobicContact CD1-CD1 4.33Å; I49-Y165 HydrophobicContact CD1-CD2 4.21Å; I49-Y165 HydrophobicContact CD1-CE1 4.13Å; I49-Y165 HydrophobicContact CD1-CE2 4.01Å; I49-Y165 HydrophobicContact CD1-CG 4.35Å; I49-Y165 HydrophobicContact CG2-CE2 3.91Å |
| 50 | F | 87.6 | Confident | 80.8 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.2 | 176.8 | -59.3 | -86.4 | 0 | 0 | 0 | 108.6 | S36 T37 S60 S61 E63 | S36-F50 WeakPolarHBondContact O-CA 3.49Å; T37-F50 HydrophobicContact CG2-CD1 3.87Å; T37-F50 HydrophobicContact CG2-CE1 3.49Å; T37-F50 VanDerWaalsContact CG2-CE1 3.49Å; T37-F50 HydrophobicContact CG2-CZ 4.14Å; T37-F50 WeakPolarHBondContact OG1-CD1 3.48Å; T37-F50 WeakPolarHBondContact OG1-CE1 3.49Å; F50-S60 CarbonylContact O-C 3.58Å; F50-S60 VanDerWaalsContact O-CA 3.27Å; F50-S60 WeakPolarHBondContact O-CA 3.27Å; F50-S61 PolarHBondContact N-O 3.18Å; F50-S61 PolarHBondContact O-N 3.46Å; F50-E63 HydrophobicContact CD2-CG 4.23Å; F50-E63 HydrophobicContact CE2-CB 3.94Å; F50-E63 HydrophobicContact CE2-CG 3.7Å; F50-E63 WeakPolarHBondContact CE2-OE2 3.47Å |
| 51 | I | 89.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111 | 174.4 | -54.1 | -174.6 | 0 | 0 | 0 | 107.6 | T35 S36 I38 I49 Y53 F75 F161 | T35-I51 WeakPolarHBondContact CA-O 3.04Å; S36-I51 PolarHBondContact N-O 3.25Å; S36-I51 PolarHBondContact O-N 3.22Å; I38-I51 HydrophobicContact CD1-CD1 3.81Å; I38-I51 HydrophobicContact CD1-CG1 4.39Å; I49-I51 HydrophobicContact CG2-CG1 4.15Å; I51-Y53 HydrophobicContact CG2-CD1 3.91Å; I51-Y53 HydrophobicContact CG2-CE1 4.47Å; I51-F75 HydrophobicContact CG2-CE1 4.06Å; I51-F75 HydrophobicContact CG2-CZ 3.68Å; I51-F161 HydrophobicContact CD1-CB 3.68Å; I51-F161 HydrophobicContact CD1-CD2 4.05Å; I51-F161 HydrophobicContact CD1-CG 4.38Å |
| 52 | T | 91.9 | Very high | 81.9 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.6 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 109.2 | I34 T35 G58 E59 | I34-T52 WeakPolarHBondContact O-CA 3.43Å; T35-T52 WeakPolarHBondContact CG2-OG1 3.35Å; T35-T52 PolarHBondContact OG1-OG1 3.28Å; T52-G58 CarbonylContact O-C 3.56Å; T52-G58 WeakPolarHBondContact O-CA 3.49Å; T52-E59 PolarHBondContact N-O 3.37Å; T52-E59 PolarHBondContact O-N 2.84Å; T52-E59 VanDerWaalsContact O-O 3.1Å |
| 53 | Y | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.9 | -179.7 | 62.4 | -88.3 | 0 | 0 | 0 | 113.6 | Q31 W33 I34 I51 V77 F147 T151 L156 S157 L160 | Q31-Y53 CarbonylContact O-C 3.59Å; Q31-Y53 WeakPolarHBondContact O-CA 3.31Å; Q31-Y53 VanDerWaalsContact O-O 3.1Å; W33-Y53 WeakPolarHBondContact CB-O 3.44Å; W33-Y53 PolarHBondContact N-O 3.35Å; I34-Y53 HydrophobicContact CG2-CD1 3.78Å; I34-Y53 HydrophobicContact CG2-CD2 3.79Å; I34-Y53 HydrophobicContact CG2-CE1 3.38Å; I34-Y53 HydrophobicContact CG2-CE2 3.37Å; I34-Y53 HydrophobicContact CG2-CG 3.99Å; I34-Y53 PolarHBondContact N-O 3.1Å; I34-Y53 PolarHBondContact O-N 2.96Å; I51-Y53 HydrophobicContact CG2-CD1 3.91Å; I51-Y53 HydrophobicContact CG2-CE1 4.47Å; Y53-V77 HydrophobicContact CD2-CG2 4.31Å; Y53-V77 HydrophobicContact CG-CG2 4.46Å; Y53-F147 HydrophobicContact CE2-CE2 4.43Å; Y53-F147 HydrophobicContact CE2-CZ 4.23Å; Y53-T151 WeakPolarHBondContact OH-CG2 3.38Å; Y53-L156 HydrophobicContact CE2-CD2 3.75Å; Y53-S157 WeakPolarHBondContact CE1-OG 3.23Å; Y53-S157 PolarHBondContact OH-OG 2.95Å; Y53-L160 HydrophobicContact CD1-CD1 4.05Å; Y53-L160 HydrophobicContact CD2-CD1 4.36Å; Y53-L160 HydrophobicContact CE1-CD1 3.92Å; Y53-L160 HydrophobicContact CE2-CD1 4.26Å; Y53-L160 HydrophobicContact CG-CD1 4.25Å |
| 54 | G | 93.4 | Very high | 83 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -102 | -156.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q31 R57 | Q31-G54 PolarHBondContact O-N 3.26Å; Q31-G54 VanDerWaalsContact O-N 3.12Å; G54-R57 PolarHBondContact N-O 2.94Å | ||
| 55 | L | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -71 | -35.9 | 179.7 | -70.1 | 132 | 0 | 0 | 0 | 113.1 | L28 W33 H90 T93 I94 L97 | L28-L55 HydrophobicContact CD2-CD1 4.25Å; W33-L55 HydrophobicContact CD2-CD1 4.22Å; W33-L55 HydrophobicContact CD2-CG 4.34Å; W33-L55 HydrophobicContact CH2-CD1 3.89Å; W33-L55 HydrophobicContact CH2-CD2 4.43Å; W33-L55 HydrophobicContact CH2-CG 4.4Å; W33-L55 HydrophobicContact CZ2-CD1 3.24Å; W33-L55 HydrophobicContact CZ2-CG 4.07Å; L55-H90 PolarHBondContact O-CD2 3.5Å; L55-H90 PolarHBondContact O-NE2 3.3Å; L55-T93 HydrophobicContact CD2-CG2 4.25Å; L55-I94 HydrophobicContact CB-CG1 4.2Å; L55-I94 HydrophobicContact CD2-CG1 3.51Å; L55-I94 HydrophobicContact CG-CG1 4.47Å; L55-L97 HydrophobicContact CD1-CD2 3.65Å; L55-L97 HydrophobicContact CD2-CD2 4.33Å |
| 56 | F | 93.8 | Very high | 83.1 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 43% | 0.434 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -112.1 | -37.3 | -171.7 | -57.9 | -74.5 | 0 | 0 | 0 | 113.6 | L28 A76 V77 I94 | L28-F56 HydrophobicContact CD2-CE2 3.93Å; L28-F56 HydrophobicContact CD2-CZ 4.22Å; L28-F56 WeakPolarHBondContact O-CD2 3.28Å; F56-A76 CarbonylContact O-C 3.57Å; F56-A76 WeakPolarHBondContact O-CA 3.44Å; F56-V77 PolarHBondContact O-N 3.39Å; F56-I94 HydrophobicContact CD1-CD1 4.32Å; F56-I94 HydrophobicContact CE1-CD1 3.82Å; F56-I94 HydrophobicContact CE1-CG1 4.35Å; F56-I94 HydrophobicContact CE1-CG2 4.09Å; F56-I94 HydrophobicContact CZ-CD1 4.33Å; F56-I94 HydrophobicContact CZ-CG1 4.38Å; F56-I94 HydrophobicContact CZ-CG2 3.85Å |
| 57 | R | 92.8 | Very high | 82.5 | Confident | 134 Ų | 134 | 47 Ų | 47 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.5 | -175.4 | -62 | 179.9 | 85.4 | -168.8 | 5.9 | 110.6 | Q31 G54 F75 | Q31-R57 HydrophobicContact CG-CB 4.24Å; G54-R57 PolarHBondContact N-O 2.94Å; R57-F75 CarbonylContact C-O 2.92Å; R57-F75 VanDerWaalsContact CA-O 3.29Å; R57-F75 WeakPolarHBondContact CA-O 3.49Å |
| 58 | G | 92.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 168.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T52 I74 F75 | T52-G58 CarbonylContact O-C 3.56Å; T52-G58 WeakPolarHBondContact O-CA 3.49Å; G58-I74 WeakPolarHBondContact O-CA 3.35Å; G58-F75 PolarHBondContact N-O 3.35Å; G58-F75 PolarHBondContact O-N 2.89Å |
| 59 | E | 90.9 | Very high | 80.6 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.6 | 178.3 | -176 | 175.5 | -173.7 | 0 | 0 | 108.5 | T52 N72 K73 | T52-E59 PolarHBondContact N-O 3.37Å; T52-E59 PolarHBondContact O-N 2.84Å; T52-E59 VanDerWaalsContact O-O 3.1Å; E59-N72 HydrophobicContact CG-CB 4.1Å; E59-N72 VanDerWaalsContact OE1-CB 3.27Å; E59-N72 WeakPolarHBondContact OE1-CB 3.45Å; E59-N72 PolarHBondContact OE1-ND2 3.5Å; E59-K73 CarbonylContact C-O 3.6Å; E59-K73 VanDerWaalsContact CA-O 3.32Å; E59-K73 WeakPolarHBondContact CA-O 3.46Å |
| 60 | S | 87.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.4 | 166.6 | 80.8 | 0 | 0 | 0 | 0 | 110.8 | F50 N72 K73 L164 Y165 | F50-S60 CarbonylContact O-C 3.58Å; F50-S60 VanDerWaalsContact O-CA 3.27Å; F50-S60 WeakPolarHBondContact O-CA 3.27Å; S60-N72 VanDerWaalsContact O-CA 3.29Å; S60-N72 WeakPolarHBondContact O-CA 3.24Å; S60-K73 PolarHBondContact N-O 3.46Å; S60-K73 PolarHBondContact O-N 3.34Å; S60-L164 VanDerWaalsContact OG-CD2 3.22Å; S60-L164 WeakPolarHBondContact OG-CD2 3.38Å; S60-Y165 PolarHBondContact OG-OH 3.19Å; S60-Y165 VanDerWaalsContact OG-OH 3.06Å |
| 61 | S | 84.3 | Confident | 79.3 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 150.7 | 169.4 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | F50 | F50-S61 PolarHBondContact N-O 3.18Å; F50-S61 PolarHBondContact O-N 3.46Å |
| 62 | Q | 80.9 | Confident | 78.9 | Confident | 28 Ų | 28 | 67 Ų | 67 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.5 | -178.5 | -53.4 | -179.4 | 38.4 | 0 | 0 | 109.4 | I49 L64 E70 Y165 | I49-Q62 HydrophobicContact CD1-CG 4.07Å; I49-Q62 HydrophobicContact CG1-CB 4.44Å; I49-Q62 HydrophobicContact CG1-CG 4.06Å; Q62-L64 HydrophobicContact CB-CD1 3.67Å; Q62-E70 PolarHBondContact NE2-OE2 3.42Å; Q62-Y165 WeakPolarHBondContact CG-OH 3.46Å; Q62-Y165 VanDerWaalsContact NE2-CE1 3.3Å; Q62-Y165 PolarHBondContact NE2-OH 3.29Å |
| 63 | E | 74.4 | Confident | 78.6 | Confident | 123 Ų | 123 | 68.2 Ų | 68.2 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 100.5 | 166.5 | -68.7 | -172.6 | 168.6 | 0 | 0 | 108.1 | G47 S48 F50 | G47-E63 WeakPolarHBondContact CA-O 3.38Å; S48-E63 PolarHBondContact N-O 3.33Å; S48-E63 PolarHBondContact O-N 3.05Å; F50-E63 HydrophobicContact CD2-CG 4.23Å; F50-E63 HydrophobicContact CE2-CB 3.94Å; F50-E63 HydrophobicContact CE2-CG 3.7Å; F50-E63 WeakPolarHBondContact CE2-OE2 3.47Å |
| 64 | L | 68.8 | Low | 78.4 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.1 | 173.7 | -76.3 | 85.9 | 0 | 0 | 0 | 109.5 | Q62 H66 | Q62-L64 HydrophobicContact CB-CD1 3.67Å; L64-H66 PolarHBondContact O-N 2.69Å |
| 65 | S | 62 | Low | 78.3 | Confident | 73 Ų | 73 | 74 Ų | 74 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -66.6 | -28.6 | 172.1 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | N46 | N46-S65 WeakPolarHBondContact O-CB 3.38Å; N46-S65 PolarHBondContact O-N 3.48Å; N46-S65 PolarHBondContact O-OG 2.72Å |
| 66 | H | 55.6 | Low | 78.3 | Confident | 141 Ų | 141 | 76.5 Ų | 76.5 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -147.4 | 130.4 | 176.7 | -62.9 | -72.9 | 0 | 0 | 0 | 110.2 | S45 L64 | S45-H66 WeakPolarHBondContact CB-O 3.25Å; S45-H66 PolarHBondContact OG-O 2.92Å; S45-H66 VanDerWaalsContact OG-O 3.04Å; L64-H66 PolarHBondContact O-N 2.69Å |
| 67 | G | 57.8 | Low | 78.2 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 131.4 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 68 | L | 57.2 | Low | 78 | Confident | 169 Ų | 169 | 67.6 Ų | 67.6 | 89% | 0.885 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 119.1 | 168.1 | -89.7 | 150 | 0 | 0 | 0 | 108.5 | E70 | L68-E70 PolarHBondContact O-N 3.4Š|
| 69 | A | 62.3 | Low | 77.8 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 56% | 0.562 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 123 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 70 | E | 69.6 | Low | 77.7 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 148.7 | 169.9 | -68.9 | -167.8 | 148 | 0 | 0 | 110.1 | Q62 L68 K73 | Q62-E70 PolarHBondContact NE2-OE2 3.42Å; L68-E70 PolarHBondContact O-N 3.4Å; E70-K73 VanDerWaalsContact OE2-CE 3.23Å; E70-K73 WeakPolarHBondContact OE2-CE 3.4Å; E70-K73 IonicContact OE2-NZ 2.81Å; E70-K73 PolarHBondContact OE2-NZ 3.37Å |
| 71 | P | 75 | Confident | 77.7 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 71% | 0.714 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 150.5 | 174.9 | 26.6 | -34.4 | 0 | 0 | 0 | 111.5 | K73 | P71-K73 PolarHBondContact O-N 3.14Š|
| 72 | N | 81.7 | Confident | 77.6 | Confident | 88 Ų | 88 | 73 Ų | 73 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.6 | 179.5 | -65.6 | -3.6 | 0 | 0 | 0 | 111.1 | E59 S60 | E59-N72 HydrophobicContact CG-CB 4.1Å; E59-N72 VanDerWaalsContact OE1-CB 3.27Å; E59-N72 WeakPolarHBondContact OE1-CB 3.45Å; E59-N72 PolarHBondContact OE1-ND2 3.5Å; S60-N72 VanDerWaalsContact O-CA 3.29Å; S60-N72 WeakPolarHBondContact O-CA 3.24Å |
| 73 | K | 84.5 | Confident | 77.7 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.2 | 179.2 | -66.4 | 178.4 | -175.3 | 167.2 | 0 | 109.2 | E59 S60 E70 P71 L164 | E59-K73 CarbonylContact C-O 3.6Å; E59-K73 VanDerWaalsContact CA-O 3.32Å; E59-K73 WeakPolarHBondContact CA-O 3.46Å; S60-K73 PolarHBondContact N-O 3.46Å; S60-K73 PolarHBondContact O-N 3.34Å; E70-K73 VanDerWaalsContact OE2-CE 3.23Å; E70-K73 WeakPolarHBondContact OE2-CE 3.4Å; E70-K73 IonicContact OE2-NZ 2.81Å; E70-K73 PolarHBondContact OE2-NZ 3.37Å; P71-K73 PolarHBondContact O-N 3.14Å; K73-L164 HydrophobicContact CB-CD2 4.29Å; K73-L164 HydrophobicContact CD-CD1 4.47Å; K73-L164 HydrophobicContact CD-CD2 4.47Å; K73-L164 HydrophobicContact CD-CG 4.22Å |
| 74 | I | 89.2 | Confident | 78.3 | Confident | 107 Ų | 107 | 73.8 Ų | 73.8 | 55% | 0.549 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.7 | 173.4 | -58.6 | 170.3 | 0 | 0 | 0 | 108.4 | G58 | G58-I74 WeakPolarHBondContact O-CA 3.35Å |
| 75 | F | 90.9 | Very high | 79.3 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 7% | 0.066 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159 | -179 | 61.2 | -88.2 | 0 | 0 | 0 | 113.9 | I51 R57 G58 V77 I80 L160 L164 | I51-F75 HydrophobicContact CG2-CE1 4.06Å; I51-F75 HydrophobicContact CG2-CZ 3.68Å; R57-F75 CarbonylContact C-O 2.92Å; R57-F75 VanDerWaalsContact CA-O 3.29Å; R57-F75 WeakPolarHBondContact CA-O 3.49Å; G58-F75 PolarHBondContact N-O 3.35Å; G58-F75 PolarHBondContact O-N 2.89Å; F75-V77 HydrophobicContact CD2-CG2 4.45Å; F75-V77 HydrophobicContact CE2-CG2 4.01Å; F75-I80 HydrophobicContact CB-CD1 3.25Å; F75-I80 HydrophobicContact CB-CG1 4.09Å; F75-I80 HydrophobicContact CD2-CD1 3.83Å; F75-I80 HydrophobicContact CD2-CG1 4.47Å; F75-I80 HydrophobicContact CG-CD1 3.7Å; F75-L160 HydrophobicContact CD2-CD2 4.48Å; F75-L160 HydrophobicContact CE2-CD1 4.2Å; F75-L160 HydrophobicContact CE2-CD2 3.93Å; F75-L164 HydrophobicContact CD1-CD1 4.44Å; F75-L164 HydrophobicContact CD1-CD2 4.09Å; F75-L164 HydrophobicContact CE1-CD2 4.17Å |
| 76 | A | 92.6 | Very high | 80.7 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 44% | 0.438 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F56 L78 G79 I80 | F56-A76 CarbonylContact O-C 3.57Å; F56-A76 WeakPolarHBondContact O-CA 3.44Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 2.87Å; A76-G79 PolarHBondContact O-N 2.99Å; A76-G79 VanDerWaalsContact O-N 3.08Å; A76-I80 PolarHBondContact O-N 3.38Å |
| 77 | V | 91.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.6 | -46.7 | -174.4 | 177.1 | 0 | 0 | 0 | 0 | 111 | Y53 F56 F75 L81 L160 | Y53-V77 HydrophobicContact CD2-CG2 4.31Å; Y53-V77 HydrophobicContact CG-CG2 4.46Å; F56-V77 PolarHBondContact O-N 3.39Å; F75-V77 HydrophobicContact CD2-CG2 4.45Å; F75-V77 HydrophobicContact CE2-CG2 4.01Å; V77-L81 PolarHBondContact O-N 3.12Å; V77-L160 HydrophobicContact CG1-CD1 4.35Å; V77-L160 HydrophobicContact CG1-CD2 4.41Å |
| 78 | L | 90.5 | Very high | 84.2 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76.5 | -23.2 | -178.1 | -139.9 | 81 | 0 | 0 | 0 | 114.1 | A76 K87 H90 L91 I94 | A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 2.87Å; L78-K87 HydrophobicContact CD1-CG 4.31Å; L78-K87 HydrophobicContact CG-CG 4.3Å; L78-K87 WeakPolarHBondContact O-CE 2.97Å; L78-K87 PolarHBondContact O-NZ 3.22Å; L78-H90 HydrophobicContact CD1-CB 4.35Å; L78-L91 HydrophobicContact CD1-CD2 4.19Å; L78-L91 HydrophobicContact CD1-CG 4.05Å; L78-L91 HydrophobicContact CD2-CD1 4.44Å; L78-L91 HydrophobicContact CD2-CD2 3.45Å; L78-L91 VanDerWaalsContact CD2-CD2 3.45Å; L78-L91 HydrophobicContact CD2-CG 3.94Å; L78-L91 HydrophobicContact CG-CD2 4.41Å; L78-L91 HydrophobicContact CG-CG 4.48Å; L78-I94 HydrophobicContact CD1-CD1 4.43Å |
| 79 | G | 87.9 | Confident | 85.9 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -81.6 | -34.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A76 | A76-G79 PolarHBondContact O-N 2.99Å; A76-G79 VanDerWaalsContact O-N 3.08Å |
| 80 | I | 88.4 | Confident | 87.5 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.9 | -35.8 | 175.6 | -70.6 | -162.2 | 0 | 0 | 0 | 111.5 | F75 A76 N82 L160 M163 L164 | F75-I80 HydrophobicContact CB-CD1 3.25Å; F75-I80 HydrophobicContact CB-CG1 4.09Å; F75-I80 HydrophobicContact CD2-CD1 3.83Å; F75-I80 HydrophobicContact CD2-CG1 4.47Å; F75-I80 HydrophobicContact CG-CD1 3.7Å; A76-I80 PolarHBondContact O-N 3.38Å; I80-N82 PolarHBondContact O-N 3.4Å; I80-L160 HydrophobicContact CG2-CD2 4.27Å; I80-M163 HydrophobicContact CG2-CB 3.46Å; I80-M163 VanDerWaalsContact CG2-CB 3.46Å; I80-M163 HydrophobicContact CG2-CG 4.13Å; I80-M163 WeakPolarHBondContact O-CE 3.28Å; I80-L164 HydrophobicContact CD1-CD1 3.82Å |
| 81 | L | 87.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -69.5 | 125.5 | -178.6 | -124.4 | 57.6 | 0 | 0 | 0 | 111.2 | V77 Q86 K87 L156 E159 L160 | V77-L81 PolarHBondContact O-N 3.12Å; L81-Q86 HydrophobicContact CD2-CB 3.62Å; L81-Q86 HydrophobicContact CG-CB 4.33Å; L81-K87 HydrophobicContact CB-CB 4.12Å; L81-K87 HydrophobicContact CB-CD 4.38Å; L81-K87 HydrophobicContact CB-CG 4.33Å; L81-K87 HydrophobicContact CD2-CB 3.9Å; L81-K87 HydrophobicContact CG-CB 4.28Å; L81-K87 WeakPolarHBondContact O-CD 3Å; L81-K87 PolarHBondContact O-NZ 3.45Å; L81-L156 HydrophobicContact CD1-CD1 4.18Å; L81-L156 HydrophobicContact CD2-CD1 3.54Å; L81-E159 HydrophobicContact CD1-CB 4.45Å; L81-E159 HydrophobicContact CD1-CG 3.78Å; L81-L160 HydrophobicContact CD1-CD2 3.9Å; L81-L160 HydrophobicContact CD1-CG 4.33Å |
| 82 | N | 81.9 | Confident | 89.7 | Confident | 112 Ų | 112 | 55.8 Ų | 55.8 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | trans | -68 | 178.3 | 171.3 | -156.9 | 9.5 | 0 | 0 | 0 | 110.4 | I80 S84 K87 M163 | I80-N82 PolarHBondContact O-N 3.4Å; N82-S84 PolarHBondContact O-N 3.36Å; N82-S84 PolarHBondContact O-OG 3.34Å; N82-K87 VanDerWaalsContact O-CD 3.23Å; N82-K87 WeakPolarHBondContact O-CD 3.28Å; N82-M163 HydrophobicContact CB-CE 4.02Å | ||
| 83 | N | 81.9 | Confident | 90.4 | Very high | 143 Ų | 143 | 51.6 Ų | 51.6 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.4 | 69.6 | 175.7 | -80.8 | -10.8 | 0 | 0 | 0 | 112.2 | ||
| 84 | S | 87.1 | Confident | 91 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -112.9 | 166.7 | -174.8 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | N82 Q86 K87 T88 | N82-S84 PolarHBondContact O-N 3.36Å; N82-S84 PolarHBondContact O-OG 3.34Å; S84-Q86 PolarHBondContact O-N 3.29Å; S84-Q86 PolarHBondContact OG-OE1 3.03Å; S84-K87 PolarHBondContact O-N 3.08Å; S84-K87 VanDerWaalsContact O-N 3.16Å; S84-T88 PolarHBondContact O-N 3.02Å; S84-T88 PolarHBondContact O-OG1 3.03Å |
| 85 | S | 90.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | K87 T88 L89 | S85-K87 VanDerWaalsContact C-N 3.3Å; S85-K87 PolarHBondContact O-N 2.87Å; S85-T88 PolarHBondContact O-N 2.99Å; S85-L89 PolarHBondContact O-N 2.77Å |
| 86 | Q | 91.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 179.2 | -63.4 | 85 | -10.6 | 0 | 0 | 112 | L81 S84 H90 N150 N154 L156 | L81-Q86 HydrophobicContact CD2-CB 3.62Å; L81-Q86 HydrophobicContact CG-CB 4.33Å; S84-Q86 PolarHBondContact O-N 3.29Å; S84-Q86 PolarHBondContact OG-OE1 3.03Å; Q86-H90 VanDerWaalsContact O-CB 3.25Å; Q86-H90 WeakPolarHBondContact O-CB 3.42Å; Q86-H90 PolarHBondContact O-N 2.75Å; Q86-N150 WeakPolarHBondContact CA-OD1 3.42Å; Q86-N150 PolarHBondContact O-ND2 3.38Å; Q86-N154 HydrophobicContact CG-CB 3.8Å; Q86-N154 WeakPolarHBondContact CG-O 3.4Å; Q86-N154 PolarHBondContact NE2-O 3.39Å; Q86-L156 HydrophobicContact CB-CD1 3.81Å; Q86-L156 HydrophobicContact CG-CD1 4.34Å |
| 87 | K | 92.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 19% | 0.191 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 179.8 | -171.5 | 176 | -173.5 | 163.3 | 0 | 111.6 | L78 L81 N82 S84 S85 H90 L91 | L78-K87 HydrophobicContact CD1-CG 4.31Å; L78-K87 HydrophobicContact CG-CG 4.3Å; L78-K87 WeakPolarHBondContact O-CE 2.97Å; L78-K87 PolarHBondContact O-NZ 3.22Å; L81-K87 HydrophobicContact CB-CB 4.12Å; L81-K87 HydrophobicContact CB-CD 4.38Å; L81-K87 HydrophobicContact CB-CG 4.33Å; L81-K87 HydrophobicContact CD2-CB 3.9Å; L81-K87 HydrophobicContact CG-CB 4.28Å; L81-K87 WeakPolarHBondContact O-CD 3Å; L81-K87 PolarHBondContact O-NZ 3.45Å; N82-K87 VanDerWaalsContact O-CD 3.23Å; N82-K87 WeakPolarHBondContact O-CD 3.28Å; S84-K87 PolarHBondContact O-N 3.08Å; S84-K87 VanDerWaalsContact O-N 3.16Å; S85-K87 VanDerWaalsContact C-N 3.3Å; S85-K87 PolarHBondContact O-N 2.87Å; K87-H90 PolarHBondContact O-N 3.34Å; K87-L91 WeakPolarHBondContact O-CB 3.37Å; K87-L91 WeakPolarHBondContact O-CG 3.47Å; K87-L91 PolarHBondContact O-N 2.69Å |
| 88 | T | 93.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | S84 S85 H90 L91 V92 | S84-T88 PolarHBondContact O-N 3.02Å; S84-T88 PolarHBondContact O-OG1 3.03Å; S85-T88 PolarHBondContact O-N 2.99Å; T88-H90 VanDerWaalsContact C-N 3.33Å; T88-H90 PolarHBondContact O-N 2.74Å; T88-L91 WeakPolarHBondContact O-CB 3.29Å; T88-L91 PolarHBondContact O-N 2.83Å; T88-V92 VanDerWaalsContact O-CG2 3.3Å; T88-V92 WeakPolarHBondContact O-CG2 3.45Å; T88-V92 PolarHBondContact O-N 2.89Å |
| 89 | L | 93.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -35 | 179.5 | -74.5 | 167.3 | 0 | 0 | 0 | 112.7 | S85 V92 T93 L146 N150 N154 | S85-L89 PolarHBondContact O-N 2.77Å; L89-V92 PolarHBondContact O-N 3.38Å; L89-T93 WeakPolarHBondContact O-CB 3.5Å; L89-T93 PolarHBondContact O-N 3.18Å; L89-T93 PolarHBondContact O-OG1 2.89Å; L89-L146 HydrophobicContact CD2-CD2 4.1Å; L89-N150 HydrophobicContact CB-CB 4.4Å; L89-N154 WeakPolarHBondContact CD1-ND2 3.35Å |
| 90 | H | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 173.6 | -157.5 | 72.6 | 0 | 0 | 0 | 112 | L55 L78 Q86 K87 T88 T93 I94 | L55-H90 PolarHBondContact O-CD2 3.5Å; L55-H90 PolarHBondContact O-NE2 3.3Å; L78-H90 HydrophobicContact CD1-CB 4.35Å; Q86-H90 VanDerWaalsContact O-CB 3.25Å; Q86-H90 WeakPolarHBondContact O-CB 3.42Å; Q86-H90 PolarHBondContact O-N 2.75Å; K87-H90 PolarHBondContact O-N 3.34Å; T88-H90 VanDerWaalsContact C-N 3.33Å; T88-H90 PolarHBondContact O-N 2.74Å; H90-T93 WeakPolarHBondContact O-CB 3.28Å; H90-T93 PolarHBondContact O-N 2.91Å; H90-I94 WeakPolarHBondContact O-CG1 3.44Å; H90-I94 PolarHBondContact O-N 3.14Å |
| 91 | L | 95.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 172.8 | -85.7 | 175.6 | 0 | 0 | 0 | 112.4 | L78 K87 T88 T93 I94 L95 | L78-L91 HydrophobicContact CD1-CD2 4.19Å; L78-L91 HydrophobicContact CD1-CG 4.05Å; L78-L91 HydrophobicContact CD2-CD1 4.44Å; L78-L91 HydrophobicContact CD2-CD2 3.45Å; L78-L91 VanDerWaalsContact CD2-CD2 3.45Å; L78-L91 HydrophobicContact CD2-CG 3.94Å; L78-L91 HydrophobicContact CG-CD2 4.41Å; L78-L91 HydrophobicContact CG-CG 4.48Å; K87-L91 WeakPolarHBondContact O-CB 3.37Å; K87-L91 WeakPolarHBondContact O-CG 3.47Å; K87-L91 PolarHBondContact O-N 2.69Å; T88-L91 WeakPolarHBondContact O-CB 3.29Å; T88-L91 PolarHBondContact O-N 2.83Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 3.03Å; L91-L95 PolarHBondContact O-N 3.5Å |
| 92 | V | 96.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 30% | 0.297 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | T88 L89 I94 L95 F96 L146 | T88-V92 VanDerWaalsContact O-CG2 3.3Å; T88-V92 WeakPolarHBondContact O-CG2 3.45Å; T88-V92 PolarHBondContact O-N 2.89Å; L89-V92 PolarHBondContact O-N 3.38Å; V92-I94 PolarHBondContact O-N 3.03Å; V92-L95 WeakPolarHBondContact O-CB 3.5Å; V92-L95 PolarHBondContact O-N 3.4Å; V92-F96 HydrophobicContact CG1-CD2 3.77Å; V92-F96 HydrophobicContact CG1-CE2 3.69Å; V92-F96 WeakPolarHBondContact O-CD2 3.4Å; V92-F96 PolarHBondContact O-N 2.9Å; V92-L146 HydrophobicContact CB-CD1 4.47Å; V92-L146 HydrophobicContact CG1-CD1 3.72Å |
| 93 | T | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L55 L89 H90 L91 L95 L97 T143 L146 F147 | L55-T93 HydrophobicContact CD2-CG2 4.25Å; L89-T93 WeakPolarHBondContact O-CB 3.5Å; L89-T93 PolarHBondContact O-N 3.18Å; L89-T93 PolarHBondContact O-OG1 2.89Å; H90-T93 WeakPolarHBondContact O-CB 3.28Å; H90-T93 PolarHBondContact O-N 2.91Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 2.89Å; T93-L95 VanDerWaalsContact C-N 3.34Å; T93-L95 PolarHBondContact O-N 3.44Å; T93-L97 PolarHBondContact O-N 3.22Å; T93-L97 VanDerWaalsContact O-N 3.15Å; T93-T143 HydrophobicContact CG2-CG2 3.53Å; T93-T143 PolarHBondContact O-OG1 3.26Å; T93-L146 WeakPolarHBondContact OG1-CB 3.26Å; T93-F147 HydrophobicContact CG2-CB 4.08Å; T93-F147 HydrophobicContact CG2-CD2 4.39Å |
| 94 | I | 96.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.7 | -66.2 | 161.3 | 0 | 0 | 0 | 110.6 | L55 F56 L78 H90 L91 V92 L97 V98 | L55-I94 HydrophobicContact CB-CG1 4.2Å; L55-I94 HydrophobicContact CD2-CG1 3.51Å; L55-I94 HydrophobicContact CG-CG1 4.47Å; F56-I94 HydrophobicContact CD1-CD1 4.32Å; F56-I94 HydrophobicContact CE1-CD1 3.82Å; F56-I94 HydrophobicContact CE1-CG1 4.35Å; F56-I94 HydrophobicContact CE1-CG2 4.09Å; F56-I94 HydrophobicContact CZ-CD1 4.33Å; F56-I94 HydrophobicContact CZ-CG1 4.38Å; F56-I94 HydrophobicContact CZ-CG2 3.85Å; L78-I94 HydrophobicContact CD1-CD1 4.43Å; H90-I94 WeakPolarHBondContact O-CG1 3.44Å; H90-I94 PolarHBondContact O-N 3.14Å; L91-I94 PolarHBondContact O-N 3.03Å; V92-I94 PolarHBondContact O-N 3.03Å; I94-L97 WeakPolarHBondContact O-CB 3.08Å; I94-L97 PolarHBondContact O-N 3.24Å; I94-V98 HydrophobicContact CG2-CG2 4.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.38Å; I94-V98 PolarHBondContact O-N 3.2Å |
| 95 | L | 97.1 | Very high | 95.5 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.3 | -48.7 | -179.6 | 179.8 | 66.7 | 0 | 0 | 0 | 112.2 | L91 V92 T93 L97 V98 L99 | L91-L95 PolarHBondContact O-N 3.5Å; V92-L95 WeakPolarHBondContact O-CB 3.5Å; V92-L95 PolarHBondContact O-N 3.4Å; T93-L95 VanDerWaalsContact C-N 3.34Å; T93-L95 PolarHBondContact O-N 3.44Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 2.92Å; L95-V98 PolarHBondContact O-N 2.99Å; L95-L99 PolarHBondContact O-N 2.85Å |
| 96 | F | 97.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -34.7 | 176 | -85.3 | -74.7 | 0 | 0 | 0 | 112.1 | V92 L99 S100 V142 T143 L146 | V92-F96 HydrophobicContact CG1-CD2 3.77Å; V92-F96 HydrophobicContact CG1-CE2 3.69Å; V92-F96 WeakPolarHBondContact O-CD2 3.4Å; V92-F96 PolarHBondContact O-N 2.9Å; F96-L99 HydrophobicContact CD1-CD2 4.49Å; F96-L99 PolarHBondContact O-N 3.42Å; F96-S100 PolarHBondContact O-N 3.26Å; F96-V142 HydrophobicContact CD1-CB 4.46Å; F96-V142 HydrophobicContact CD1-CG1 4.25Å; F96-V142 HydrophobicContact CD2-CG1 3.88Å; F96-V142 HydrophobicContact CE1-CG1 4.23Å; F96-V142 HydrophobicContact CE2-CG1 3.87Å; F96-V142 HydrophobicContact CG-CG1 4.08Å; F96-V142 HydrophobicContact CZ-CG1 4.05Å; F96-T143 WeakPolarHBondContact CB-OG1 3.41Å; F96-L146 HydrophobicContact CD2-CD1 3.85Å; F96-L146 HydrophobicContact CE2-CD1 4.19Å |
| 97 | L | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.4 | -41.7 | 176.8 | -164.9 | 58.7 | 0 | 0 | 0 | 111.8 | I24 I27 L28 W33 L55 T93 I94 L95 S100 L101 V140 T143 | I24-L97 HydrophobicContact CG2-CD1 4.06Å; I24-L97 HydrophobicContact CG2-CG 4.21Å; I27-L97 HydrophobicContact CD1-CD1 3.8Å; I27-L97 HydrophobicContact CD1-CD2 4.26Å; I27-L97 HydrophobicContact CG1-CD2 4.35Å; L28-L97 HydrophobicContact CD2-CD2 3.6Å; L28-L97 HydrophobicContact CD2-CG 4.09Å; L28-L97 HydrophobicContact CG-CD2 3.81Å; L28-L97 HydrophobicContact CG-CG 4.18Å; W33-L97 HydrophobicContact CH2-CD2 3.94Å; W33-L97 HydrophobicContact CZ2-CD2 3.92Å; L55-L97 HydrophobicContact CD1-CD2 3.65Å; L55-L97 HydrophobicContact CD2-CD2 4.33Å; T93-L97 PolarHBondContact O-N 3.22Å; T93-L97 VanDerWaalsContact O-N 3.15Å; I94-L97 WeakPolarHBondContact O-CB 3.08Å; I94-L97 PolarHBondContact O-N 3.24Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 2.92Å; L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.33Å; L97-S100 PolarHBondContact O-OG 3.11Å; L97-L101 PolarHBondContact O-N 3.3Å; L97-V140 HydrophobicContact CD1-CG1 4.29Å; L97-T143 HydrophobicContact CB-CG2 4.23Å; L97-T143 HydrophobicContact CD1-CG2 4.21Å; L97-T143 PolarHBondContact N-OG1 3.4Å |
| 98 | V | 97.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 35% | 0.352 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 173.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | I94 L95 S100 L101 L102 | I94-V98 HydrophobicContact CG2-CG2 4.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.38Å; I94-V98 PolarHBondContact O-N 3.2Å; L95-V98 PolarHBondContact O-N 2.99Å; V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 2.99Å; V98-L101 WeakPolarHBondContact O-CB 3.24Å; V98-L101 PolarHBondContact O-N 3.12Å; V98-L101 VanDerWaalsContact O-N 3.17Å; V98-L102 HydrophobicContact CG1-CD1 4.45Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 3.17Å |
| 99 | L | 97.1 | Very high | 95.8 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 172.6 | -178.4 | 62.3 | 0 | 0 | 0 | 111 | L95 F96 L101 L102 T103 | L95-L99 PolarHBondContact O-N 2.85Å; F96-L99 HydrophobicContact CD1-CD2 4.49Å; F96-L99 PolarHBondContact O-N 3.42Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 3.18Å; L99-L102 PolarHBondContact O-N 3.33Å; L99-T103 HydrophobicContact CD1-CG2 4.24Å; L99-T103 HydrophobicContact CG-CG2 4.48Å; L99-T103 WeakPolarHBondContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CG2 3.31Å; L99-T103 PolarHBondContact O-N 3.03Å; L99-T103 PolarHBondContact O-OG1 3.26Å |
| 100 | S | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 175.6 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | F96 L97 V98 T103 S104 S136 V140 | F96-S100 PolarHBondContact O-N 3.26Å; L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.33Å; L97-S100 PolarHBondContact O-OG 3.11Å; V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 2.99Å; S100-T103 VanDerWaalsContact CA-OG1 3.3Å; S100-T103 WeakPolarHBondContact CA-OG1 3.23Å; S100-T103 PolarHBondContact O-OG1 3.48Å; S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.92Å; S100-S104 PolarHBondContact O-OG 3.05Å; S100-S136 PolarHBondContact O-OG 3Å; S100-V140 VanDerWaalsContact OG-CG1 3.29Å; S100-V140 WeakPolarHBondContact OG-CG1 3.5Å |
| 101 | L | 97.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -51.4 | 176.2 | -174.7 | 72.3 | 0 | 0 | 0 | 110.7 | F21 I24 C25 L28 L97 V98 L99 T103 S104 L105 | F21-L101 HydrophobicContact CD2-CD1 3.45Å; F21-L101 VanDerWaalsContact CD2-CD1 3.45Å; F21-L101 HydrophobicContact CD2-CG 4.05Å; F21-L101 HydrophobicContact CE2-CD1 3.48Å; F21-L101 VanDerWaalsContact CE2-CD1 3.48Å; F21-L101 HydrophobicContact CE2-CG 3.84Å; F21-L101 HydrophobicContact CG-CD1 4.31Å; F21-L101 HydrophobicContact CZ-CD1 4.35Å; I24-L101 HydrophobicContact CB-CD1 3.82Å; I24-L101 HydrophobicContact CG2-CB 3.8Å; I24-L101 HydrophobicContact CG2-CD1 3.63Å; I24-L101 HydrophobicContact CG2-CG 4.3Å; C25-L101 VanDerWaalsContact SG-CD1 3.51Å; L28-L101 HydrophobicContact CD1-CD2 4.11Å; L97-L101 PolarHBondContact O-N 3.3Å; V98-L101 WeakPolarHBondContact O-CB 3.24Å; V98-L101 PolarHBondContact O-N 3.12Å; V98-L101 VanDerWaalsContact O-N 3.17Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 3.18Å; L101-T103 VanDerWaalsContact C-N 3.34Å; L101-T103 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-OG 2.8Å; L101-L105 PolarHBondContact O-N 3.08Å |
| 102 | L | 97.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 179.9 | -66.3 | 175.3 | 0 | 0 | 0 | 111.9 | V98 L99 L105 L106 | V98-L102 HydrophobicContact CG1-CD1 4.45Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 3.33Å; L102-L105 PolarHBondContact O-N 3.33Å; L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 2.94Å |
| 103 | T | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -37.5 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | L99 S100 L101 L106 S107 W132 L135 S136 | L99-T103 HydrophobicContact CD1-CG2 4.24Å; L99-T103 HydrophobicContact CG-CG2 4.48Å; L99-T103 WeakPolarHBondContact O-CB 3.32Å; L99-T103 WeakPolarHBondContact O-CG2 3.31Å; L99-T103 PolarHBondContact O-N 3.03Å; L99-T103 PolarHBondContact O-OG1 3.26Å; S100-T103 VanDerWaalsContact CA-OG1 3.3Å; S100-T103 WeakPolarHBondContact CA-OG1 3.23Å; S100-T103 PolarHBondContact O-OG1 3.48Å; L101-T103 VanDerWaalsContact C-N 3.34Å; L101-T103 PolarHBondContact O-N 3.42Å; T103-L106 PolarHBondContact O-N 3.46Å; T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.49Å; T103-W132 HydrophobicContact CG2-CE3 3.73Å; T103-W132 HydrophobicContact CG2-CZ3 3.98Å; T103-L135 HydrophobicContact CG2-CB 4.35Å; T103-L135 HydrophobicContact CG2-CD2 3.59Å; T103-L135 HydrophobicContact CG2-CG 3.92Å; T103-S136 WeakPolarHBondContact OG1-CA 3.48Å; T103-S136 WeakPolarHBondContact OG1-CB 3.39Å |
| 104 | S | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 172.8 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | F21 S100 L101 S107 S108 | F21-S104 WeakPolarHBondContact CA-OG 3.45Å; F21-S104 WeakPolarHBondContact CB-OG 3.38Å; S100-S104 WeakPolarHBondContact O-CB 3.41Å; S100-S104 PolarHBondContact O-N 2.92Å; S100-S104 PolarHBondContact O-OG 3.05Å; L101-S104 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-OG 2.8Å; S104-S107 PolarHBondContact O-N 3.41Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.95Å |
| 105 | L | 96.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 175 | -176.8 | 62.2 | 0 | 0 | 0 | 111.6 | F21 L101 L102 S108 G109 | F21-L105 HydrophobicContact CD2-CB 3.9Å; F21-L105 HydrophobicContact CD2-CD1 4.29Å; F21-L105 HydrophobicContact CE2-CB 4.04Å; F21-L105 HydrophobicContact CE2-CD1 4.1Å; F21-L105 HydrophobicContact CE2-CD2 4.33Å; F21-L105 HydrophobicContact CE2-CG 4.39Å; F21-L105 HydrophobicContact CZ-CD1 4.36Å; L101-L105 PolarHBondContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.33Å; L105-S108 WeakPolarHBondContact O-CB 3.4Å; L105-S108 PolarHBondContact O-N 3.3Å; L105-G109 PolarHBondContact O-N 2.78Å |
| 106 | L | 94.2 | Very high | 93.3 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | 175.5 | -72 | 171.4 | 0 | 0 | 0 | 111.8 | L102 T103 S108 G109 F110 W132 | L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 2.94Å; T103-L106 PolarHBondContact O-N 3.46Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.47Å; L106-G109 PolarHBondContact O-N 2.84Å; L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 WeakPolarHBondContact O-CD1 3.5Å; L106-F110 WeakPolarHBondContact O-CG 3.31Å; L106-F110 PolarHBondContact O-N 3.29Å; L106-W132 HydrophobicContact CB-CD2 4.25Å; L106-W132 HydrophobicContact CB-CG 4.34Å; L106-W132 HydrophobicContact CD1-CD2 4.26Å; L106-W132 HydrophobicContact CD1-CE3 4.14Å; L106-W132 HydrophobicContact CD1-CH2 3.75Å; L106-W132 HydrophobicContact CD1-CZ2 3.87Å; L106-W132 HydrophobicContact CD1-CZ3 3.88Å |
| 107 | S | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 174.2 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | S17 T103 S104 F110 T111 N133 | S17-S107 PolarHBondContact OG-OG 3.39Å; T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.49Å; S104-S107 PolarHBondContact O-N 3.41Å; S107-F110 PolarHBondContact O-N 3.32Å; S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 WeakPolarHBondContact O-CG2 3.31Å; S107-T111 PolarHBondContact O-N 3.41Å; S107-T111 PolarHBondContact O-OG1 3.43Å; S107-N133 PolarHBondContact OG-ND2 2.94Å |
| 108 | S | 93.9 | Very high | 91 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | F14 S104 L105 L106 F110 T111 F112 | F14-S108 VanDerWaalsContact CD2-O 3.32Å; F14-S108 WeakPolarHBondContact CD2-O 3.3Å; F14-S108 VanDerWaalsContact CD2-OG 3.23Å; F14-S108 WeakPolarHBondContact CD2-OG 3.41Å; F14-S108 WeakPolarHBondContact CE2-OG 3.46Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.95Å; L105-S108 WeakPolarHBondContact O-CB 3.4Å; L105-S108 PolarHBondContact O-N 3.3Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.47Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 3.41Å; S108-T111 WeakPolarHBondContact CA-OG1 3.44Å; S108-T111 PolarHBondContact O-N 2.93Å; S108-T111 PolarHBondContact O-OG1 2.91Å; S108-F112 WeakPolarHBondContact O-CB 3.39Å; S108-F112 PolarHBondContact O-N 3.1Å |
| 109 | G | 91.4 | Very high | 89 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L105 L106 Y113 | L105-G109 PolarHBondContact O-N 2.78Å; L106-G109 PolarHBondContact O-N 2.84Å; G109-Y113 VanDerWaalsContact O-CB 3.3Å; G109-Y113 WeakPolarHBondContact O-CB 3.42Å; G109-Y113 PolarHBondContact O-N 2.9Å |
| 110 | F | 89.7 | Confident | 86.9 | Confident | 40 Ų | 40 | 49 Ų | 49 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -46.1 | 180 | -75.1 | 8.7 | 0 | 0 | 0 | 112 | L106 S107 S108 F112 Y113 N114 W132 | L106-F110 WeakPolarHBondContact O-CB 3.5Å; L106-F110 WeakPolarHBondContact O-CD1 3.5Å; L106-F110 WeakPolarHBondContact O-CG 3.31Å; L106-F110 PolarHBondContact O-N 3.29Å; S107-F110 PolarHBondContact O-N 3.32Å; S108-F110 VanDerWaalsContact C-N 3.31Å; S108-F110 PolarHBondContact O-N 3.41Å; F110-F112 VanDerWaalsContact C-N 3.35Å; F110-F112 PolarHBondContact O-N 3.23Å; F110-Y113 PolarHBondContact O-N 2.93Å; F110-N114 WeakPolarHBondContact O-CB 3.3Å; F110-N114 PolarHBondContact O-N 3.37Å; F110-N114 PolarHBondContact O-ND2 3.33Å; F110-W132 AromaticContact CD2-CD1 3.58Å; F110-W132 AromaticContact CD2-NE1 3.63Å; F110-W132 AromaticContact CE2-CD1 3.52Å; F110-W132 AromaticContact CE2-NE1 3.03Å; F110-W132 AromaticContact CZ-NE1 3.67Å |
| 111 | T | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | F14 S107 S108 N114 S115 V129 | F14-T111 VanDerWaalsContact CA-OG1 3.24Å; F14-T111 WeakPolarHBondContact CA-OG1 3.43Å; S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 WeakPolarHBondContact O-CG2 3.31Å; S107-T111 PolarHBondContact O-N 3.41Å; S107-T111 PolarHBondContact O-OG1 3.43Å; S108-T111 WeakPolarHBondContact CA-OG1 3.44Å; S108-T111 PolarHBondContact O-N 2.93Å; S108-T111 PolarHBondContact O-OG1 2.91Å; T111-N114 PolarHBondContact O-N 2.94Å; T111-S115 PolarHBondContact O-N 3.34Å; T111-S115 VanDerWaalsContact O-N 3.12Å; T111-V129 HydrophobicContact CG2-CG1 3.85Å; T111-V129 HydrophobicContact CG2-CG2 3.82Å |
| 112 | F | 91.3 | Very high | 83.3 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 172.5 | -174.5 | -108.2 | 0 | 0 | 0 | 112.1 | F14 S108 F110 N114 S115 I116 | F14-F112 HydrophobicContact CD1-CD2 4.28Å; F14-F112 HydrophobicContact CD2-CB 3.62Å; F14-F112 HydrophobicContact CD2-CD2 4.28Å; F14-F112 HydrophobicContact CD2-CG 4.36Å; F14-F112 HydrophobicContact CE1-CD2 4.15Å; F14-F112 HydrophobicContact CE2-CB 3.83Å; F14-F112 HydrophobicContact CE2-CD2 4.11Å; F14-F112 HydrophobicContact CE2-CG 4.22Å; F14-F112 HydrophobicContact CG-CB 4.19Å; F14-F112 HydrophobicContact CG-CD2 4.33Å; F14-F112 HydrophobicContact CZ-CD2 4.05Å; S108-F112 WeakPolarHBondContact O-CB 3.39Å; S108-F112 PolarHBondContact O-N 3.1Å; F110-F112 VanDerWaalsContact C-N 3.35Å; F110-F112 PolarHBondContact O-N 3.23Å; F112-N114 VanDerWaalsContact C-N 3.28Å; F112-N114 PolarHBondContact O-N 3.22Å; F112-S115 VanDerWaalsContact O-CB 3.24Å; F112-S115 WeakPolarHBondContact O-CB 3.3Å; F112-S115 PolarHBondContact O-N 3.44Å; F112-I116 HydrophobicContact CD1-CD1 4.26Å; F112-I116 HydrophobicContact CE1-CD1 3.62Å; F112-I116 HydrophobicContact CE2-CD1 4.03Å; F112-I116 HydrophobicContact CZ-CD1 3.49Å; F112-I116 VanDerWaalsContact CZ-CD1 3.49Å; F112-I116 PolarHBondContact O-N 3.34Å |
| 113 | Y | 88.6 | Confident | 81.5 | Confident | 108 Ų | 108 | 61.2 Ų | 61.2 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 177.9 | -179.2 | -98 | 0 | 0 | 0 | 111.8 | G109 F110 S115 I116 S117 P119 L124 | G109-Y113 VanDerWaalsContact O-CB 3.3Å; G109-Y113 WeakPolarHBondContact O-CB 3.42Å; G109-Y113 PolarHBondContact O-N 2.9Å; F110-Y113 PolarHBondContact O-N 2.93Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.36Å; Y113-I116 PolarHBondContact O-N 2.95Å; Y113-S117 VanDerWaalsContact CE2-OG 3.31Å; Y113-S117 WeakPolarHBondContact CE2-OG 3.39Å; Y113-S117 VanDerWaalsContact O-CB 3.28Å; Y113-S117 WeakPolarHBondContact O-CB 3.21Å; Y113-S117 PolarHBondContact O-N 3.29Å; Y113-P119 HydrophobicContact CE1-CB 4.17Å; Y113-P119 HydrophobicContact CE1-CG 4.42Å; Y113-L124 HydrophobicContact CD1-CD2 3.7Å; Y113-L124 HydrophobicContact CE1-CD2 3.62Å; Y113-L124 HydrophobicContact CG-CD2 4.47Å |
| 114 | N | 86.8 | Confident | 80.1 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -25.5 | 177.2 | -85.9 | -91.2 | 0 | 0 | 0 | 114.2 | K6 F10 F110 T111 F112 S117 P119 L124 | K6-N114 WeakPolarHBondContact CE-O 3.37Å; K6-N114 PolarHBondContact NZ-O 3.32Å; F10-N114 HydrophobicContact CB-CB 4.35Å; F10-N114 HydrophobicContact CD1-CB 3.24Å; F10-N114 HydrophobicContact CD2-CB 4.13Å; F10-N114 HydrophobicContact CE1-CB 3.33Å; F10-N114 HydrophobicContact CE2-CB 4.2Å; F10-N114 HydrophobicContact CG-CB 3.66Å; F10-N114 HydrophobicContact CZ-CB 3.83Å; F110-N114 WeakPolarHBondContact O-CB 3.3Å; F110-N114 PolarHBondContact O-N 3.37Å; F110-N114 PolarHBondContact O-ND2 3.33Å; T111-N114 PolarHBondContact O-N 2.94Å; F112-N114 VanDerWaalsContact C-N 3.28Å; F112-N114 PolarHBondContact O-N 3.22Å; N114-S117 VanDerWaalsContact O-O 3.13Å; N114-P119 HydrophobicContact CB-CG 4.45Å; N114-P119 WeakPolarHBondContact OD1-CG 3.44Å; N114-L124 VanDerWaalsContact CG-O 3.31Å; N114-L124 PolarHBondContact ND2-O 2.96Å; N114-L124 PolarHBondContact OD1-O 3.04Å |
| 115 | S | 86 | Confident | 79.1 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 178.1 | -173 | 0 | 0 | 0 | 0 | 111.5 | T7 T111 F112 Y113 | T7-S115 WeakPolarHBondContact CG2-OG 3.48Å; T7-S115 PolarHBondContact O-OG 3.39Å; T7-S115 PolarHBondContact OG1-O 3.35Å; T111-S115 PolarHBondContact O-N 3.34Å; T111-S115 VanDerWaalsContact O-N 3.12Å; F112-S115 VanDerWaalsContact O-CB 3.24Å; F112-S115 WeakPolarHBondContact O-CB 3.3Å; F112-S115 PolarHBondContact O-N 3.44Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.36Å |
| 116 | I | 84.9 | Confident | 78.5 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 54% | 0.544 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -93.8 | -46.7 | -175.2 | -56.1 | 170.9 | 0 | 0 | 0 | 111 | F112 Y113 | F112-I116 HydrophobicContact CD1-CD1 4.26Å; F112-I116 HydrophobicContact CE1-CD1 3.62Å; F112-I116 HydrophobicContact CE2-CD1 4.03Å; F112-I116 HydrophobicContact CZ-CD1 3.49Å; F112-I116 VanDerWaalsContact CZ-CD1 3.49Å; F112-I116 PolarHBondContact O-N 3.34Å; Y113-I116 PolarHBondContact O-N 2.95Å |
| 117 | S | 78.2 | Confident | 78.1 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -88.9 | 162.1 | -175.4 | -57 | 0 | 0 | 0 | 0 | 112.1 | K6 Y113 N114 P119 | K6-S117 PolarHBondContact NZ-O 3.1Å; Y113-S117 VanDerWaalsContact CE2-OG 3.31Å; Y113-S117 WeakPolarHBondContact CE2-OG 3.39Å; Y113-S117 VanDerWaalsContact O-CB 3.28Å; Y113-S117 WeakPolarHBondContact O-CB 3.21Å; Y113-S117 PolarHBondContact O-N 3.29Å; N114-S117 VanDerWaalsContact O-O 3.13Å; S117-P119 WeakPolarHBondContact O-CD 3.48Å |
| 118 | N | 67.6 | Low | 77.9 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -103.6 | 74.7 | 169 | -77 | -51.2 | 0 | 0 | 0 | 111 | K6 Y120 | K6-N118 PolarHBondContact NZ-OD1 2.98Å; N118-Y120 PolarHBondContact O-N 2.97Å | ||
| 119 | P | 56.1 | Low | 77.7 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | -69.8 | 134.2 | 180 | 25.8 | -31.1 | 0 | 0 | 0 | 111.5 | Y113 N114 S117 Q121 L124 | Y113-P119 HydrophobicContact CE1-CB 4.17Å; Y113-P119 HydrophobicContact CE1-CG 4.42Å; N114-P119 HydrophobicContact CB-CG 4.45Å; N114-P119 WeakPolarHBondContact OD1-CG 3.44Å; S117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-Q121 PolarHBondContact O-N 3.24Å; P119-L124 HydrophobicContact CB-CB 4.3Å | ||
| 120 | Y | 52.7 | Low | 77.7 | Confident | 205 Ų | 205 | 63.9 Ų | 63.9 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | trans | -80.6 | 103.3 | 173.7 | -65.1 | -86.3 | 0 | 0 | 0 | 109.5 | N118 T122 | N118-Y120 PolarHBondContact O-N 2.97Å; Y120-T122 PolarHBondContact O-N 3.45Å | ||
| 121 | Q | 56.3 | Low | 77.9 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 42.5 | 14.2 | 144.6 | -77.4 | -172.3 | -76.5 | 0 | 0 | 124.1 | P119 | P119-Q121 PolarHBondContact O-N 3.24Š|
| 122 | T | 62.2 | Low | 78.1 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -118.3 | -102.2 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | Y120 | Y120-T122 PolarHBondContact O-N 3.45Š|
| 123 | F | 59.1 | Low | 78.3 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -92.6 | -34 | -167.7 | -146.3 | -95.1 | 0 | 0 | 0 | 113.7 | G125 G128 | F123-G125 PolarHBondContact O-N 2.65Å; F123-G128 WeakPolarHBondContact O-CA 3.42Å |
| 124 | L | 66.5 | Low | 78.6 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -80.2 | 12.2 | 172.2 | -68.3 | 95 | 0 | 0 | 0 | 112.2 | Y113 N114 P119 | Y113-L124 HydrophobicContact CD1-CD2 3.7Å; Y113-L124 HydrophobicContact CE1-CD2 3.62Å; Y113-L124 HydrophobicContact CG-CD2 4.47Å; N114-L124 VanDerWaalsContact CG-O 3.31Å; N114-L124 PolarHBondContact ND2-O 2.96Å; N114-L124 PolarHBondContact OD1-O 3.04Å; P119-L124 HydrophobicContact CB-CB 4.3Å |
| 125 | G | 76.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -92.7 | -163.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F123 M127 G128 | F123-G125 PolarHBondContact O-N 2.65Å; G125-M127 PolarHBondContact O-N 3.13Å; G125-G128 PolarHBondContact O-N 3.06Å |
| 126 | P | 83.3 | Confident | 79.6 | Confident | 17 Ų | 17 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.8 | -33.1 | 172.4 | -31.8 | 39.2 | 0 | 0 | 0 | 115 | G128 V129 Y130 I198 Y201 Q202 | P126-G128 PolarHBondContact O-N 2.93Å; P126-V129 PolarHBondContact O-N 2.94Å; P126-Y130 HydrophobicContact CB-CE2 4.25Å; P126-Y130 WeakPolarHBondContact O-CD2 3.48Å; P126-Y130 PolarHBondContact O-N 3.41Å; P126-I198 HydrophobicContact CB-CG2 3.56Å; P126-I198 HydrophobicContact CG-CG2 4.22Å; P126-Y201 HydrophobicContact CG-CE1 4.48Å; P126-Q202 HydrophobicContact CB-CG 4.03Å; P126-Q202 HydrophobicContact CG-CG 3.96Å |
| 127 | M | 86.2 | Confident | 80.2 | Confident | 118 Ų | 118 | 59 Ų | 59 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | -179.9 | -68.4 | -58.3 | -67.1 | 0 | 0 | 111.9 | G125 V129 Y130 T131 | G125-M127 PolarHBondContact O-N 3.13Å; M127-V129 VanDerWaalsContact C-N 3.28Å; M127-V129 PolarHBondContact O-N 3.47Å; M127-Y130 PolarHBondContact O-N 2.87Å; M127-Y130 HydrophobicContact SD-CD2 4.19Å; M127-T131 WeakPolarHBondContact O-CG2 3.47Å; M127-T131 PolarHBondContact O-N 2.87Å; M127-T131 PolarHBondContact O-OG1 3.45Å |
| 128 | G | 87.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F123 G125 P126 T131 W132 | F123-G128 WeakPolarHBondContact O-CA 3.42Å; G125-G128 PolarHBondContact O-N 3.06Å; P126-G128 PolarHBondContact O-N 2.93Å; G128-T131 WeakPolarHBondContact CA-OG1 3.37Å; G128-T131 PolarHBondContact O-N 3.26Å; G128-T131 PolarHBondContact O-OG1 2.96Å; G128-W132 PolarHBondContact O-N 3.19Å |
| 129 | V | 90.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | T111 P126 M127 T131 N133 T194 I198 | T111-V129 HydrophobicContact CG2-CG1 3.85Å; T111-V129 HydrophobicContact CG2-CG2 3.82Å; P126-V129 PolarHBondContact O-N 2.94Å; M127-V129 VanDerWaalsContact C-N 3.28Å; M127-V129 PolarHBondContact O-N 3.47Å; V129-T131 PolarHBondContact O-N 2.81Å; V129-N133 VanDerWaalsContact CG1-ND2 3.25Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.37Å; V129-N133 WeakPolarHBondContact O-CB 3.27Å; V129-N133 PolarHBondContact O-N 3.28Å; V129-N133 PolarHBondContact O-ND2 3.29Å; V129-T194 HydrophobicContact CG1-CG2 3.96Å; V129-I198 HydrophobicContact CB-CG1 4.34Å; V129-I198 HydrophobicContact CG1-CG1 3.87Å |
| 130 | Y | 91.6 | Very high | 84.4 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.4 | -58.5 | -34.3 | 0 | 0 | 0 | 113.1 | P126 M127 G134 V195 I198 I199 Q202 | P126-Y130 HydrophobicContact CB-CE2 4.25Å; P126-Y130 WeakPolarHBondContact O-CD2 3.48Å; P126-Y130 PolarHBondContact O-N 3.41Å; M127-Y130 PolarHBondContact O-N 2.87Å; M127-Y130 HydrophobicContact SD-CD2 4.19Å; Y130-G134 PolarHBondContact O-N 3.46Å; Y130-V195 HydrophobicContact CD1-CB 4.3Å; Y130-V195 HydrophobicContact CD1-CG1 3.77Å; Y130-V195 HydrophobicContact CD1-CG2 4.18Å; Y130-V195 HydrophobicContact CE1-CG1 3.87Å; Y130-I198 HydrophobicContact CD1-CG2 4.5Å; Y130-I198 HydrophobicContact CE1-CB 3.8Å; Y130-I198 HydrophobicContact CE1-CG2 3.63Å; Y130-I199 HydrophobicContact CE1-CG1 3.92Å; Y130-I199 WeakPolarHBondContact OH-CA 3.29Å; Y130-I199 VanDerWaalsContact OH-CG1 3.25Å; Y130-I199 WeakPolarHBondContact OH-CG1 3.27Å; Y130-I199 PolarHBondContact OH-N 3.43Å; Y130-Q202 VanDerWaalsContact OH-CD 3.23Å; Y130-Q202 PolarHBondContact OH-OE1 3.05Å |
| 131 | T | 93.3 | Very high | 86.5 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | M127 G128 V129 L135 | M127-T131 WeakPolarHBondContact O-CG2 3.47Å; M127-T131 PolarHBondContact O-N 2.87Å; M127-T131 PolarHBondContact O-OG1 3.45Å; G128-T131 WeakPolarHBondContact CA-OG1 3.37Å; G128-T131 PolarHBondContact O-N 3.26Å; G128-T131 PolarHBondContact O-OG1 2.96Å; V129-T131 PolarHBondContact O-N 2.81Å; T131-L135 VanDerWaalsContact O-CB 3.29Å; T131-L135 WeakPolarHBondContact O-CB 3.34Å; T131-L135 PolarHBondContact O-N 3.21Å |
| 132 | W | 94.8 | Very high | 88.5 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.7 | -38.6 | -177 | -65 | 126.9 | 0 | 0 | 0 | 112.9 | T103 L106 F110 G128 L135 S136 | T103-W132 HydrophobicContact CG2-CE3 3.73Å; T103-W132 HydrophobicContact CG2-CZ3 3.98Å; L106-W132 HydrophobicContact CB-CD2 4.25Å; L106-W132 HydrophobicContact CB-CG 4.34Å; L106-W132 HydrophobicContact CD1-CD2 4.26Å; L106-W132 HydrophobicContact CD1-CE3 4.14Å; L106-W132 HydrophobicContact CD1-CH2 3.75Å; L106-W132 HydrophobicContact CD1-CZ2 3.87Å; L106-W132 HydrophobicContact CD1-CZ3 3.88Å; F110-W132 AromaticContact CD2-CD1 3.58Å; F110-W132 AromaticContact CD2-NE1 3.63Å; F110-W132 AromaticContact CE2-CD1 3.52Å; F110-W132 AromaticContact CE2-NE1 3.03Å; F110-W132 AromaticContact CZ-NE1 3.67Å; G128-W132 PolarHBondContact O-N 3.19Å; W132-L135 HydrophobicContact CE3-CD2 4.24Å; W132-L135 HydrophobicContact CZ3-CD2 4.12Å; W132-S136 VanDerWaalsContact O-CB 3.3Å; W132-S136 WeakPolarHBondContact O-CB 3.47Å; W132-S136 PolarHBondContact O-N 3.48Å |
| 133 | N | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.9 | -37.2 | 174 | -73.5 | -93.5 | 0 | 0 | 0 | 111.5 | S107 V129 S136 A137 N191 T194 V195 | S107-N133 PolarHBondContact OG-ND2 2.94Å; V129-N133 VanDerWaalsContact CG1-ND2 3.25Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.37Å; V129-N133 WeakPolarHBondContact O-CB 3.27Å; V129-N133 PolarHBondContact O-N 3.28Å; V129-N133 PolarHBondContact O-ND2 3.29Å; N133-S136 PolarHBondContact O-N 3.21Å; N133-A137 VanDerWaalsContact O-CB 3.28Å; N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.44Å; N133-N191 WeakPolarHBondContact CA-OD1 3.27Å; N133-N191 HydrophobicContact CB-CB 4.25Å; N133-N191 PolarHBondContact O-OD1 3.41Å; N133-N191 PolarHBondContact OD1-OD1 3.15Å; N133-T194 WeakPolarHBondContact OD1-CB 3.4Å; N133-T194 WeakPolarHBondContact OD1-CG2 3.27Å; N133-V195 HydrophobicContact CB-CG2 3.73Å |
| 134 | G | 95.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y130 A137 S138 | Y130-G134 PolarHBondContact O-N 3.46Å; G134-A137 PolarHBondContact O-N 2.93Å; G134-S138 WeakPolarHBondContact O-CB 3.3Å; G134-S138 PolarHBondContact O-N 3.27Å; G134-S138 PolarHBondContact O-OG 2.93Å |
| 135 | L | 96.2 | Very high | 93.3 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.1 | -174.1 | 60.2 | 0 | 0 | 0 | 112.2 | T103 T131 W132 S138 S139 | T103-L135 HydrophobicContact CG2-CB 4.35Å; T103-L135 HydrophobicContact CG2-CD2 3.59Å; T103-L135 HydrophobicContact CG2-CG 3.92Å; T131-L135 VanDerWaalsContact O-CB 3.29Å; T131-L135 WeakPolarHBondContact O-CB 3.34Å; T131-L135 PolarHBondContact O-N 3.21Å; W132-L135 HydrophobicContact CE3-CD2 4.24Å; W132-L135 HydrophobicContact CZ3-CD2 4.12Å; L135-S138 WeakPolarHBondContact CA-OG 3.2Å; L135-S138 PolarHBondContact O-OG 3.41Å; L135-S138 VanDerWaalsContact O-OG 3.06Å; L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.36Å; L135-S139 PolarHBondContact O-OG 2.91Å |
| 136 | S | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -52.2 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | S100 T103 W132 N133 S138 S139 V140 N191 | S100-S136 PolarHBondContact O-OG 3Å; T103-S136 WeakPolarHBondContact OG1-CA 3.48Å; T103-S136 WeakPolarHBondContact OG1-CB 3.39Å; W132-S136 VanDerWaalsContact O-CB 3.3Å; W132-S136 WeakPolarHBondContact O-CB 3.47Å; W132-S136 PolarHBondContact O-N 3.48Å; N133-S136 PolarHBondContact O-N 3.21Å; S136-S138 PolarHBondContact O-N 3.26Å; S136-S139 PolarHBondContact O-N 3.11Å; S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.73Å; S136-N191 PolarHBondContact OG-ND2 2.89Å |
| 137 | A | 97 | Very high | 94.8 | Very high | 21 Ų | 21 | 38 Ų | 38 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N133 G134 V140 F141 N191 | N133-A137 VanDerWaalsContact O-CB 3.28Å; N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.44Å; G134-A137 PolarHBondContact O-N 2.93Å; A137-V140 VanDerWaalsContact O-CG2 3.27Å; A137-V140 WeakPolarHBondContact O-CG2 3.25Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.43Å; A137-F141 PolarHBondContact O-N 3.42Å; A137-N191 HydrophobicContact CB-CB 4.02Å |
| 138 | S | 97.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 177 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | G134 L135 S136 F141 V142 | G134-S138 WeakPolarHBondContact O-CB 3.3Å; G134-S138 PolarHBondContact O-N 3.27Å; G134-S138 PolarHBondContact O-OG 2.93Å; L135-S138 WeakPolarHBondContact CA-OG 3.2Å; L135-S138 PolarHBondContact O-OG 3.41Å; L135-S138 VanDerWaalsContact O-OG 3.06Å; S136-S138 PolarHBondContact O-N 3.26Å; S138-F141 PolarHBondContact O-N 3.01Å; S138-V142 WeakPolarHBondContact O-CG2 3.35Å; S138-V142 PolarHBondContact O-N 2.85Å |
| 139 | S | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L135 S136 F141 V142 T143 | L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.36Å; L135-S139 PolarHBondContact O-OG 2.91Å; S136-S139 PolarHBondContact O-N 3.11Å; S139-F141 VanDerWaalsContact C-N 3.32Å; S139-F141 PolarHBondContact O-N 3.33Å; S139-V142 PolarHBondContact O-N 2.97Å; S139-T143 PolarHBondContact O-N 2.88Å; S139-T143 PolarHBondContact O-OG1 3.35Å; S139-T143 VanDerWaalsContact O-OG1 3.09Å |
| 140 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.2 | -31.4 | 177.2 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | L97 S100 S136 A137 T143 M144 I184 I187 I188 | L97-V140 HydrophobicContact CD1-CG1 4.29Å; S100-V140 VanDerWaalsContact OG-CG1 3.29Å; S100-V140 WeakPolarHBondContact OG-CG1 3.5Å; S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.73Å; A137-V140 VanDerWaalsContact O-CG2 3.27Å; A137-V140 WeakPolarHBondContact O-CG2 3.25Å; V140-T143 WeakPolarHBondContact O-CB 3.18Å; V140-T143 PolarHBondContact O-N 3.26Å; V140-M144 PolarHBondContact O-N 3.33Å; V140-I184 HydrophobicContact CB-CG2 4.01Å; V140-I184 HydrophobicContact CG2-CG2 4.28Å; V140-I187 HydrophobicContact CB-CG2 4.48Å; V140-I187 HydrophobicContact CG1-CG2 3.9Å; V140-I187 HydrophobicContact CG2-CG2 4.03Å; V140-I188 HydrophobicContact CG2-CD1 4.24Å; V140-I188 HydrophobicContact CG2-CG1 3.56Å |
| 141 | F | 97.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 34 Ų | 34 | 48% | 0.482 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.9 | -177.5 | -110.6 | 0 | 0 | 0 | 111.3 | A137 S138 S139 M144 I145 I188 | A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.43Å; A137-F141 PolarHBondContact O-N 3.42Å; S138-F141 PolarHBondContact O-N 3.01Å; S139-F141 VanDerWaalsContact C-N 3.32Å; S139-F141 PolarHBondContact O-N 3.33Å; F141-M144 WeakPolarHBondContact O-CB 3.41Å; F141-M144 PolarHBondContact O-N 2.88Å; F141-I145 HydrophobicContact CD1-CD1 3.9Å; F141-I145 HydrophobicContact CE1-CD1 3.45Å; F141-I145 VanDerWaalsContact CE1-CD1 3.45Å; F141-I145 HydrophobicContact CE1-CG1 4.5Å; F141-I145 HydrophobicContact CE2-CD1 4.45Å; F141-I145 HydrophobicContact CZ-CD1 3.77Å; F141-I145 HydrophobicContact CZ-CG1 4.48Å; F141-I145 WeakPolarHBondContact O-CG1 3.37Å; F141-I145 PolarHBondContact O-N 3.47Å; F141-I145 VanDerWaalsContact O-N 3.1Å; F141-I188 HydrophobicContact CB-CD1 4.32Å; F141-I188 HydrophobicContact CD2-CD1 4.3Å |
| 142 | V | 97.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.297 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 172.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | F96 S138 S139 M144 I145 L146 | F96-V142 HydrophobicContact CD1-CB 4.46Å; F96-V142 HydrophobicContact CD1-CG1 4.25Å; F96-V142 HydrophobicContact CD2-CG1 3.88Å; F96-V142 HydrophobicContact CE1-CG1 4.23Å; F96-V142 HydrophobicContact CE2-CG1 3.87Å; F96-V142 HydrophobicContact CG-CG1 4.08Å; F96-V142 HydrophobicContact CZ-CG1 4.05Å; S138-V142 WeakPolarHBondContact O-CG2 3.35Å; S138-V142 PolarHBondContact O-N 2.85Å; S139-V142 PolarHBondContact O-N 2.97Å; V142-M144 VanDerWaalsContact C-N 3.29Å; V142-M144 PolarHBondContact O-N 2.85Å; V142-I145 PolarHBondContact O-N 2.82Å; V142-L146 HydrophobicContact CG1-CD1 3.67Å; V142-L146 HydrophobicContact CG1-CG 4.01Å; V142-L146 WeakPolarHBondContact O-CB 3.44Å; V142-L146 VanDerWaalsContact O-CG 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.4Å; V142-L146 PolarHBondContact O-N 3.07Å |
| 143 | T | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.5 | -45.2 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | W33 T93 F96 L97 S139 V140 L146 F147 | W33-T143 HydrophobicContact CH2-CG2 4.23Å; W33-T143 HydrophobicContact CZ3-CG2 4.45Å; T93-T143 HydrophobicContact CG2-CG2 3.53Å; T93-T143 PolarHBondContact O-OG1 3.26Å; F96-T143 WeakPolarHBondContact CB-OG1 3.41Å; L97-T143 HydrophobicContact CB-CG2 4.23Å; L97-T143 HydrophobicContact CD1-CG2 4.21Å; L97-T143 PolarHBondContact N-OG1 3.4Å; S139-T143 PolarHBondContact O-N 2.88Å; S139-T143 PolarHBondContact O-OG1 3.35Å; S139-T143 VanDerWaalsContact O-OG1 3.09Å; V140-T143 WeakPolarHBondContact O-CB 3.18Å; V140-T143 PolarHBondContact O-N 3.26Å; T143-L146 PolarHBondContact O-N 2.98Å; T143-F147 VanDerWaalsContact O-CB 3.32Å; T143-F147 WeakPolarHBondContact O-CB 3.29Å; T143-F147 PolarHBondContact O-N 3.42Å |
| 144 | M | 96 | Very high | 94.6 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 16% | 0.163 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 178.7 | -167.8 | 178.6 | -179.8 | 0 | 0 | 111.4 | V140 F141 V142 F147 V148 F181 I184 L185 | V140-M144 PolarHBondContact O-N 3.33Å; F141-M144 WeakPolarHBondContact O-CB 3.41Å; F141-M144 PolarHBondContact O-N 2.88Å; V142-M144 VanDerWaalsContact C-N 3.29Å; V142-M144 PolarHBondContact O-N 2.85Å; M144-F147 PolarHBondContact O-N 3.5Å; M144-V148 VanDerWaalsContact O-CG2 3.31Å; M144-V148 WeakPolarHBondContact O-CG2 3.32Å; M144-V148 PolarHBondContact O-N 3.45Å; M144-F181 HydrophobicContact CE-CE1 3.62Å; M144-F181 HydrophobicContact CE-CZ 3.57Å; M144-F181 HydrophobicContact CG-CE1 4.47Å; M144-F181 HydrophobicContact CG-CE2 3.77Å; M144-F181 HydrophobicContact CG-CZ 3.57Å; M144-F181 HydrophobicContact SD-CZ 4.42Å; M144-I184 HydrophobicContact CB-CD1 4.3Å; M144-I184 HydrophobicContact CB-CG2 4.18Å; M144-I184 HydrophobicContact SD-CG2 4.43Å; M144-L185 HydrophobicContact CE-CD2 4.19Å; M144-L185 HydrophobicContact CE-CG 4.49Å; M144-L185 HydrophobicContact SD-CD2 4.02Å |
| 145 | I | 96.4 | Very high | 94.3 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 178.7 | -65.3 | 169.2 | 0 | 0 | 0 | 111 | F141 V142 F147 V148 A149 | F141-I145 HydrophobicContact CD1-CD1 3.9Å; F141-I145 HydrophobicContact CE1-CD1 3.45Å; F141-I145 VanDerWaalsContact CE1-CD1 3.45Å; F141-I145 HydrophobicContact CE1-CG1 4.5Å; F141-I145 HydrophobicContact CE2-CD1 4.45Å; F141-I145 HydrophobicContact CZ-CD1 3.77Å; F141-I145 HydrophobicContact CZ-CG1 4.48Å; F141-I145 WeakPolarHBondContact O-CG1 3.37Å; F141-I145 PolarHBondContact O-N 3.47Å; F141-I145 VanDerWaalsContact O-N 3.1Å; V142-I145 PolarHBondContact O-N 2.82Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.31Å; I145-V148 PolarHBondContact O-N 2.85Å; I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.36Å; I145-A149 PolarHBondContact O-N 3.45Å |
| 146 | L | 95.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 37 Ų | 37 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | -178.9 | -71.6 | 174.9 | 0 | 0 | 0 | 111.7 | L89 V92 T93 F96 V142 T143 A149 N150 | L89-L146 HydrophobicContact CD2-CD2 4.1Å; V92-L146 HydrophobicContact CB-CD1 4.47Å; V92-L146 HydrophobicContact CG1-CD1 3.72Å; T93-L146 WeakPolarHBondContact OG1-CB 3.26Å; F96-L146 HydrophobicContact CD2-CD1 3.85Å; F96-L146 HydrophobicContact CE2-CD1 4.19Å; V142-L146 HydrophobicContact CG1-CD1 3.67Å; V142-L146 HydrophobicContact CG1-CG 4.01Å; V142-L146 WeakPolarHBondContact O-CB 3.44Å; V142-L146 VanDerWaalsContact O-CG 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.4Å; V142-L146 PolarHBondContact O-N 3.07Å; T143-L146 PolarHBondContact O-N 2.98Å; L146-A149 PolarHBondContact O-N 3.5Å; L146-N150 VanDerWaalsContact O-CB 3.27Å; L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.17Å |
| 147 | F | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 177.3 | -171.8 | -98.5 | 0 | 0 | 0 | 112 | W33 I34 Y53 T93 T143 M144 I145 N150 T151 Y177 F181 | W33-F147 HydrophobicContact CB-CE1 4.28Å; W33-F147 HydrophobicContact CB-CE2 4.49Å; W33-F147 HydrophobicContact CB-CZ 3.81Å; W33-F147 HydrophobicContact CE3-CD1 4.04Å; W33-F147 AromaticContact CE3-CD2 3.91Å; W33-F147 HydrophobicContact CE3-CD2 3.91Å; W33-F147 AromaticContact CE3-CE1 3.99Å; W33-F147 HydrophobicContact CE3-CE1 3.99Å; W33-F147 AromaticContact CE3-CE2 3.86Å; W33-F147 HydrophobicContact CE3-CE2 3.86Å; W33-F147 AromaticContact CE3-CG 3.99Å; W33-F147 HydrophobicContact CE3-CG 3.99Å; W33-F147 AromaticContact CE3-CZ 3.91Å; W33-F147 HydrophobicContact CE3-CZ 3.91Å; W33-F147 HydrophobicContact CZ3-CD1 4.5Å; W33-F147 HydrophobicContact CZ3-CD2 4.21Å; W33-F147 HydrophobicContact CZ3-CG 4.15Å; I34-F147 HydrophobicContact CB-CE1 4.28Å; I34-F147 HydrophobicContact CB-CZ 4.29Å; I34-F147 HydrophobicContact CG2-CE1 4.34Å; I34-F147 HydrophobicContact CG2-CZ 3.88Å; Y53-F147 HydrophobicContact CE2-CE2 4.43Å; Y53-F147 HydrophobicContact CE2-CZ 4.23Å; T93-F147 HydrophobicContact CG2-CB 4.08Å; T93-F147 HydrophobicContact CG2-CD2 4.39Å; T143-F147 VanDerWaalsContact O-CB 3.32Å; T143-F147 WeakPolarHBondContact O-CB 3.29Å; T143-F147 PolarHBondContact O-N 3.42Å; M144-F147 PolarHBondContact O-N 3.5Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.31Å; F147-N150 PolarHBondContact O-N 3.15Å; F147-T151 HydrophobicContact CD1-CG2 4.3Å; F147-T151 HydrophobicContact CE1-CG2 3.95Å; F147-T151 HydrophobicContact CZ-CG2 4.07Å; F147-T151 WeakPolarHBondContact O-CG2 3.47Å; F147-T151 PolarHBondContact O-N 2.93Å; F147-T151 PolarHBondContact O-OG1 2.62Å; F147-Y177 HydrophobicContact CD1-CE1 4.16Å; F147-Y177 HydrophobicContact CE1-CD1 4.28Å; F147-Y177 HydrophobicContact CE1-CE1 4.04Å; F147-F181 AromaticContact CD1-CD2 3.76Å; F147-F181 HydrophobicContact CD1-CD2 3.76Å; F147-F181 AromaticContact CD1-CE2 3.85Å; F147-F181 HydrophobicContact CD1-CE2 3.85Å; F147-F181 HydrophobicContact CE1-CD2 4.19Å |
| 148 | V | 94.7 | Very high | 93 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -45 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | M144 I145 N150 T151 Q152 Y177 F181 | M144-V148 VanDerWaalsContact O-CG2 3.31Å; M144-V148 WeakPolarHBondContact O-CG2 3.32Å; M144-V148 PolarHBondContact O-N 3.45Å; I145-V148 PolarHBondContact O-N 2.85Å; V148-N150 VanDerWaalsContact C-N 3.3Å; V148-N150 PolarHBondContact O-N 3.36Å; V148-T151 WeakPolarHBondContact CA-OG1 3.3Å; V148-T151 PolarHBondContact O-N 3.09Å; V148-T151 PolarHBondContact O-OG1 3.2Å; V148-Q152 HydrophobicContact CG1-CG 4.05Å; V148-Q152 WeakPolarHBondContact O-CB 3.18Å; V148-Q152 WeakPolarHBondContact O-CG 3.17Å; V148-Q152 PolarHBondContact O-N 2.9Å; V148-Y177 HydrophobicContact CG2-CE1 4.17Å; V148-F181 HydrophobicContact CG2-CE2 3.82Å; V148-F181 HydrophobicContact CG2-CZ 3.5Å; V148-F181 VanDerWaalsContact CG2-CZ 3.5Å |
| 149 | A | 93.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 28% | 0.281 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I145 L146 S153 N154 | I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.36Å; I145-A149 PolarHBondContact O-N 3.45Å; L146-A149 PolarHBondContact O-N 3.5Å; A149-S153 WeakPolarHBondContact O-CA 3.38Å; A149-S153 WeakPolarHBondContact O-CB 3.37Å; A149-S153 PolarHBondContact O-N 3.44Å; A149-S153 PolarHBondContact O-OG 2.95Å; A149-N154 PolarHBondContact O-N 2.9Å |
| 150 | N | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -36.5 | 178.4 | -156.8 | 26.9 | 0 | 0 | 0 | 112.5 | Q86 L89 L146 F147 V148 N154 L155 L156 | Q86-N150 WeakPolarHBondContact CA-OD1 3.42Å; Q86-N150 PolarHBondContact O-ND2 3.38Å; L89-N150 HydrophobicContact CB-CB 4.4Å; L146-N150 VanDerWaalsContact O-CB 3.27Å; L146-N150 WeakPolarHBondContact O-CB 3.27Å; L146-N150 PolarHBondContact O-N 3.17Å; F147-N150 PolarHBondContact O-N 3.15Å; V148-N150 VanDerWaalsContact C-N 3.3Å; V148-N150 PolarHBondContact O-N 3.36Å; N150-N154 CarbonylContact O-C 3.57Å; N150-N154 PolarHBondContact OD1-ND2 2.95Å; N150-N154 VanDerWaalsContact OD1-ND2 3.17Å; N150-L155 PolarHBondContact O-N 2.95Å; N150-L156 VanDerWaalsContact O-CB 3.28Å; N150-L156 WeakPolarHBondContact O-CB 3.31Å; N150-L156 PolarHBondContact O-N 2.92Å; N150-L156 VanDerWaalsContact O-N 3.14Å |
| 151 | T | 89.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.9 | -47.4 | 179.1 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | I34 Y53 F147 V148 L155 L156 Y177 | I34-T151 HydrophobicContact CD1-CG2 3.75Å; Y53-T151 WeakPolarHBondContact OH-CG2 3.38Å; F147-T151 HydrophobicContact CD1-CG2 4.3Å; F147-T151 HydrophobicContact CE1-CG2 3.95Å; F147-T151 HydrophobicContact CZ-CG2 4.07Å; F147-T151 WeakPolarHBondContact O-CG2 3.47Å; F147-T151 PolarHBondContact O-N 2.93Å; F147-T151 PolarHBondContact O-OG1 2.62Å; V148-T151 WeakPolarHBondContact CA-OG1 3.3Å; V148-T151 PolarHBondContact O-N 3.09Å; V148-T151 PolarHBondContact O-OG1 3.2Å; T151-L155 WeakPolarHBondContact O-CA 3.39Å; T151-L156 HydrophobicContact CG2-CD2 4.4Å; T151-Y177 PolarHBondContact OG1-OH 3.46Å; T151-Y177 VanDerWaalsContact OG1-OH 3.11Å |
| 152 | Q | 89.8 | Confident | 90.9 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -86.1 | -44.3 | -174.6 | -61 | -72.8 | -5.5 | 0 | 0 | 113.3 | V148 L155 Y177 | V148-Q152 HydrophobicContact CG1-CG 4.05Å; V148-Q152 WeakPolarHBondContact O-CB 3.18Å; V148-Q152 WeakPolarHBondContact O-CG 3.17Å; V148-Q152 PolarHBondContact O-N 2.9Å; Q152-L155 WeakPolarHBondContact O-CD2 3.33Å; Q152-Y177 PolarHBondContact NE2-OH 3.1Å |
| 153 | S | 87.6 | Confident | 90.4 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -38.7 | -172.9 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | A149 | A149-S153 WeakPolarHBondContact O-CA 3.38Å; A149-S153 WeakPolarHBondContact O-CB 3.37Å; A149-S153 PolarHBondContact O-N 3.44Å; A149-S153 PolarHBondContact O-OG 2.95Å |
| 154 | N | 87.3 | Confident | 89.8 | Confident | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -98 | 5.9 | 177.4 | -54.1 | -50.2 | 0 | 0 | 0 | 113.6 | Q86 L89 A149 N150 L156 | Q86-N154 HydrophobicContact CG-CB 3.8Å; Q86-N154 WeakPolarHBondContact CG-O 3.4Å; Q86-N154 PolarHBondContact NE2-O 3.39Å; L89-N154 WeakPolarHBondContact CD1-ND2 3.35Å; A149-N154 PolarHBondContact O-N 2.9Å; N150-N154 CarbonylContact O-C 3.57Å; N150-N154 PolarHBondContact OD1-ND2 2.95Å; N150-N154 VanDerWaalsContact OD1-ND2 3.17Å; N154-L156 PolarHBondContact O-N 3.01Å; N154-L156 VanDerWaalsContact O-N 3.15Å |
| 155 | L | 89.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | trans | 51.9 | 41.7 | 173.7 | -53.5 | 171.3 | 0 | 0 | 0 | 112.3 | N150 T151 Q152 S157 E158 E159 | N150-L155 PolarHBondContact O-N 2.95Å; T151-L155 WeakPolarHBondContact O-CA 3.39Å; Q152-L155 WeakPolarHBondContact O-CD2 3.33Å; L155-S157 PolarHBondContact O-N 3.01Å; L155-E158 HydrophobicContact CB-CB 4.08Å; L155-E158 HydrophobicContact CB-CG 4.29Å; L155-E158 WeakPolarHBondContact O-CA 3.39Å; L155-E158 WeakPolarHBondContact O-CB 3.35Å; L155-E158 PolarHBondContact O-N 3.49Å; L155-E159 PolarHBondContact O-N 3.12Å; L155-E159 VanDerWaalsContact O-N 3.09Å | ||
| 156 | L | 87.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -49.5 | -40 | -176.1 | 173.6 | 70.8 | 0 | 0 | 0 | 112.6 | Y53 L81 Q86 N150 T151 N154 E158 E159 L160 | Y53-L156 HydrophobicContact CE2-CD2 3.75Å; L81-L156 HydrophobicContact CD1-CD1 4.18Å; L81-L156 HydrophobicContact CD2-CD1 3.54Å; Q86-L156 HydrophobicContact CB-CD1 3.81Å; Q86-L156 HydrophobicContact CG-CD1 4.34Å; N150-L156 VanDerWaalsContact O-CB 3.28Å; N150-L156 WeakPolarHBondContact O-CB 3.31Å; N150-L156 PolarHBondContact O-N 2.92Å; N150-L156 VanDerWaalsContact O-N 3.14Å; T151-L156 HydrophobicContact CG2-CD2 4.4Å; N154-L156 PolarHBondContact O-N 3.01Å; N154-L156 VanDerWaalsContact O-N 3.15Å; L156-E158 VanDerWaalsContact C-N 3.34Å; L156-E158 PolarHBondContact O-N 3.28Å; L156-E159 PolarHBondContact O-N 2.84Å; L156-L160 HydrophobicContact CD1-CD1 4.42Å; L156-L160 HydrophobicContact CD1-CG 4.44Å; L156-L160 HydrophobicContact CG-CD1 4.16Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.38Å |
| 157 | S | 86.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | S36 Y53 L155 F161 | S36-S157 WeakPolarHBondContact OG-CB 3.12Å; S36-S157 PolarHBondContact OG-OG 3.17Å; Y53-S157 WeakPolarHBondContact CE1-OG 3.23Å; Y53-S157 PolarHBondContact OH-OG 2.95Å; L155-S157 PolarHBondContact O-N 3.01Å; S157-F161 WeakPolarHBondContact O-CB 3.41Å; S157-F161 PolarHBondContact O-N 3.4Å |
| 158 | E | 87.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 46 Ų | 46 | 24% | 0.238 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 177.7 | -69.8 | 175.2 | -154 | 0 | 0 | 111.2 | L155 L156 L160 F161 H162 T173 | L155-E158 HydrophobicContact CB-CB 4.08Å; L155-E158 HydrophobicContact CB-CG 4.29Å; L155-E158 WeakPolarHBondContact O-CA 3.39Å; L155-E158 WeakPolarHBondContact O-CB 3.35Å; L155-E158 PolarHBondContact O-N 3.49Å; L156-E158 VanDerWaalsContact C-N 3.34Å; L156-E158 PolarHBondContact O-N 3.28Å; E158-L160 VanDerWaalsContact C-N 3.35Å; E158-F161 WeakPolarHBondContact O-CB 3.43Å; E158-F161 PolarHBondContact O-N 2.8Å; E158-H162 WeakPolarHBondContact O-CB 3.46Å; E158-H162 PolarHBondContact O-N 2.98Å; E158-T173 HydrophobicContact CG-CG2 3.29Å; E158-T173 WeakPolarHBondContact OE1-CG2 3.43Å; E158-T173 PolarHBondContact OE1-OG1 3.49Å |
| 159 | E | 87.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.1 | -175 | 66.9 | -173.2 | 0 | 0 | 110.7 | L81 L155 L156 F161 H162 M163 | L81-E159 HydrophobicContact CD1-CB 4.45Å; L81-E159 HydrophobicContact CD1-CG 3.78Å; L155-E159 PolarHBondContact O-N 3.12Å; L155-E159 VanDerWaalsContact O-N 3.09Å; L156-E159 PolarHBondContact O-N 2.84Å; E159-F161 VanDerWaalsContact C-N 3.28Å; E159-F161 PolarHBondContact O-N 3.31Å; E159-H162 PolarHBondContact O-N 2.68Å; E159-M163 VanDerWaalsContact O-CG 3.26Å; E159-M163 WeakPolarHBondContact O-CG 3.35Å; E159-M163 PolarHBondContact O-N 2.76Å |
| 160 | L | 86.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 174.6 | -73.7 | 172.8 | 0 | 0 | 0 | 111.8 | Y53 F75 V77 I80 L81 L156 E158 L164 | Y53-L160 HydrophobicContact CD1-CD1 4.05Å; Y53-L160 HydrophobicContact CD2-CD1 4.36Å; Y53-L160 HydrophobicContact CE1-CD1 3.92Å; Y53-L160 HydrophobicContact CE2-CD1 4.26Å; Y53-L160 HydrophobicContact CG-CD1 4.25Å; F75-L160 HydrophobicContact CD2-CD2 4.48Å; F75-L160 HydrophobicContact CE2-CD1 4.2Å; F75-L160 HydrophobicContact CE2-CD2 3.93Å; V77-L160 HydrophobicContact CG1-CD1 4.35Å; V77-L160 HydrophobicContact CG1-CD2 4.41Å; I80-L160 HydrophobicContact CG2-CD2 4.27Å; L81-L160 HydrophobicContact CD1-CD2 3.9Å; L81-L160 HydrophobicContact CD1-CG 4.33Å; L156-L160 HydrophobicContact CD1-CD1 4.42Å; L156-L160 HydrophobicContact CD1-CG 4.44Å; L156-L160 HydrophobicContact CG-CD1 4.16Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.38Å; E158-L160 VanDerWaalsContact C-N 3.35Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 PolarHBondContact O-N 2.89Å; L160-L164 VanDerWaalsContact O-N 3.13Å |
| 161 | F | 85.6 | Confident | 83 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 175.8 | 174.2 | -96.8 | 0 | 0 | 0 | 112.3 | I38 V40 I49 I51 S157 E158 E159 M163 L164 Y165 T168 | I38-F161 HydrophobicContact CB-CD2 4.3Å; I38-F161 HydrophobicContact CB-CE2 4.42Å; I38-F161 HydrophobicContact CD1-CB 3.38Å; I38-F161 HydrophobicContact CD1-CD1 4.45Å; I38-F161 HydrophobicContact CD1-CD2 3.6Å; I38-F161 HydrophobicContact CD1-CG 3.56Å; I38-F161 HydrophobicContact CG2-CD1 4.38Å; I38-F161 HydrophobicContact CG2-CD2 4.07Å; I38-F161 HydrophobicContact CG2-CE1 4.34Å; I38-F161 HydrophobicContact CG2-CE2 4Å; I38-F161 HydrophobicContact CG2-CG 4.26Å; I38-F161 HydrophobicContact CG2-CZ 4.16Å; V40-F161 HydrophobicContact CG2-CE2 3.83Å; V40-F161 HydrophobicContact CG2-CZ 3.6Å; I49-F161 HydrophobicContact CB-CE2 4.15Å; I49-F161 HydrophobicContact CD1-CE2 3.85Å; I49-F161 HydrophobicContact CG1-CE2 4.4Å; I49-F161 HydrophobicContact CG2-CD2 4.36Å; I49-F161 HydrophobicContact CG2-CE2 4.27Å; I51-F161 HydrophobicContact CD1-CB 3.68Å; I51-F161 HydrophobicContact CD1-CD2 4.05Å; I51-F161 HydrophobicContact CD1-CG 4.38Å; S157-F161 WeakPolarHBondContact O-CB 3.41Å; S157-F161 PolarHBondContact O-N 3.4Å; E158-F161 WeakPolarHBondContact O-CB 3.43Å; E158-F161 PolarHBondContact O-N 2.8Å; E159-F161 VanDerWaalsContact C-N 3.28Å; E159-F161 PolarHBondContact O-N 3.31Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.34Å; F161-L164 CarbonylContact O-C 3.49Å; F161-L164 PolarHBondContact O-N 3.01Å; F161-Y165 AromaticContact CD2-CD2 3.82Å; F161-Y165 HydrophobicContact CD2-CD2 3.82Å; F161-Y165 AromaticContact CE2-CD2 3.82Å; F161-Y165 HydrophobicContact CE2-CD2 3.82Å; F161-Y165 HydrophobicContact CE2-CG 4.26Å; F161-Y165 PolarHBondContact O-N 3.39Å; F161-T168 WeakPolarHBondContact CE1-O 3.48Å; F161-T168 HydrophobicContact CZ-CG2 3.79Å |
| 162 | H | 86.6 | Confident | 82.2 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -38.3 | -179.1 | -178.4 | -87.4 | 0 | 0 | 0 | 111.7 | E158 E159 L164 Y165 P166 | E158-H162 WeakPolarHBondContact O-CB 3.46Å; E158-H162 PolarHBondContact O-N 2.98Å; E159-H162 PolarHBondContact O-N 2.68Å; H162-L164 VanDerWaalsContact C-N 3.33Å; H162-L164 PolarHBondContact O-N 3.45Å; H162-Y165 CarbonylContact O-C 3.43Å; H162-P166 VanDerWaalsContact O-CA 3.24Å; H162-P166 WeakPolarHBondContact O-CA 3.46Å |
| 163 | M | 85.4 | Confident | 81.8 | Confident | 77 Ų | 77 | 54 Ų | 54 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.2 | -29.4 | 176.3 | -66.7 | -63.9 | -116.4 | 0 | 0 | 113.1 | I80 N82 E159 F161 | I80-M163 HydrophobicContact CG2-CB 3.46Å; I80-M163 VanDerWaalsContact CG2-CB 3.46Å; I80-M163 HydrophobicContact CG2-CG 4.13Å; I80-M163 WeakPolarHBondContact O-CE 3.28Å; N82-M163 HydrophobicContact CB-CE 4.02Å; E159-M163 VanDerWaalsContact O-CG 3.26Å; E159-M163 WeakPolarHBondContact O-CG 3.35Å; E159-M163 PolarHBondContact O-N 2.76Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.34Å |
| 164 | L | 84.2 | Confident | 81.6 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -87.4 | -27.3 | 179.6 | -152.8 | 69.1 | 0 | 0 | 0 | 112.7 | S60 K73 F75 I80 L160 F161 H162 | S60-L164 VanDerWaalsContact OG-CD2 3.22Å; S60-L164 WeakPolarHBondContact OG-CD2 3.38Å; K73-L164 HydrophobicContact CB-CD2 4.29Å; K73-L164 HydrophobicContact CD-CD1 4.47Å; K73-L164 HydrophobicContact CD-CD2 4.47Å; K73-L164 HydrophobicContact CD-CG 4.22Å; F75-L164 HydrophobicContact CD1-CD1 4.44Å; F75-L164 HydrophobicContact CD1-CD2 4.09Å; F75-L164 HydrophobicContact CE1-CD2 4.17Å; I80-L164 HydrophobicContact CD1-CD1 3.82Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 PolarHBondContact O-N 2.89Å; L160-L164 VanDerWaalsContact O-N 3.13Å; F161-L164 CarbonylContact O-C 3.49Å; F161-L164 PolarHBondContact O-N 3.01Å; H162-L164 VanDerWaalsContact C-N 3.33Å; H162-L164 PolarHBondContact O-N 3.45Å |
| 165 | Y | 83.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 54 Ų | 54 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | trans | -137.6 | 69.1 | -176.5 | -59.9 | -79.4 | 0 | 0 | 0 | 111.5 | I49 S60 Q62 F161 H162 T167 T168 | I49-Y165 HydrophobicContact CD1-CD1 4.33Å; I49-Y165 HydrophobicContact CD1-CD2 4.21Å; I49-Y165 HydrophobicContact CD1-CE1 4.13Å; I49-Y165 HydrophobicContact CD1-CE2 4.01Å; I49-Y165 HydrophobicContact CD1-CG 4.35Å; I49-Y165 HydrophobicContact CG2-CE2 3.91Å; S60-Y165 PolarHBondContact OG-OH 3.19Å; S60-Y165 VanDerWaalsContact OG-OH 3.06Å; Q62-Y165 WeakPolarHBondContact CG-OH 3.46Å; Q62-Y165 VanDerWaalsContact NE2-CE1 3.3Å; Q62-Y165 PolarHBondContact NE2-OH 3.29Å; F161-Y165 AromaticContact CD2-CD2 3.82Å; F161-Y165 HydrophobicContact CD2-CD2 3.82Å; F161-Y165 AromaticContact CE2-CD2 3.82Å; F161-Y165 HydrophobicContact CE2-CD2 3.82Å; F161-Y165 HydrophobicContact CE2-CG 4.26Å; F161-Y165 PolarHBondContact O-N 3.39Å; H162-Y165 CarbonylContact O-C 3.43Å; Y165-T167 PolarHBondContact O-N 3.5Å; Y165-T167 VanDerWaalsContact O-N 3.13Å; Y165-T168 PolarHBondContact O-N 2.75Å | ||
| 166 | P | 78.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.1 | -173.1 | 25.9 | -35.5 | 0 | 0 | 0 | 114.1 | H162 | H162-P166 VanDerWaalsContact O-CA 3.24Å; H162-P166 WeakPolarHBondContact O-CA 3.46Å |
| 167 | T | 74.9 | Confident | 82.1 | Confident | 134 Ų | 134 | 56.3 Ų | 56.3 | 82% | 0.822 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2.1 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | Y165 | Y165-T167 PolarHBondContact O-N 3.5Å; Y165-T167 VanDerWaalsContact O-N 3.13Å |
| 168 | T | 72.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | trans | -114.4 | 123.5 | -167.3 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | V40 F161 Y165 | V40-T168 HydrophobicContact CB-CG2 4.1Å; V40-T168 HydrophobicContact CG1-CG2 3.15Å; V40-T168 HydrophobicContact CG2-CG2 3.81Å; F161-T168 WeakPolarHBondContact CE1-O 3.48Å; F161-T168 HydrophobicContact CZ-CG2 3.79Å; Y165-T168 PolarHBondContact O-N 2.75Å | ||
| 169 | A | 71.6 | Confident | 82.7 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | trans | -80.5 | 127.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | S | 73.8 | Confident | 83 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.5 | 170.8 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 171 | K | 67.9 | Low | 83.3 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 64% | 0.635 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -4.1 | 176.1 | -105.3 | -169.9 | 174.4 | -165.1 | 0 | 114.5 | A39 R41 | A39-K171 PolarHBondContact O-N 3.41Å; R41-K171 HydrophobicContact CB-CD 4.37Å |
| 172 | G | 73.4 | Confident | 83.8 | Confident | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | 148 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A39 | A39-G172 PolarHBondContact N-O 2.88Å; A39-G172 VanDerWaalsContact N-O 3.16Å |
| 173 | T | 80.8 | Confident | 84.2 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132 | -177.4 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | T37 I38 E158 | T37-T173 WeakPolarHBondContact O-CA 3.37Å; I38-T173 HydrophobicContact CB-CG2 4.43Å; I38-T173 HydrophobicContact CD1-CG2 4.08Å; I38-T173 HydrophobicContact CG1-CG2 3.76Å; I38-T173 HydrophobicContact CG2-CG2 4.2Å; E158-T173 HydrophobicContact CG-CG2 3.29Å; E158-T173 WeakPolarHBondContact OE1-CG2 3.43Å; E158-T173 PolarHBondContact OE1-OG1 3.49Å |
| 174 | T | 84.9 | Confident | 84.7 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.7 | 173.7 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | S36 T37 | S36-T174 CarbonylContact C-O 3.59Å; S36-T174 WeakPolarHBondContact CA-O 3.5Å; T37-T174 PolarHBondContact N-O 3.03Å; T37-T174 PolarHBondContact O-N 3.37Å |
| 175 | H | 90.3 | Very high | 85.3 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.5 | -175.2 | -61.6 | -47.6 | 0 | 0 | 0 | 110.8 | I34 S36 | I34-H175 HydrophobicContact CD1-CB 4.04Å; S36-H175 PolarHBondContact OG-ND1 3.42Å |
| 176 | S | 91.6 | Very high | 85.9 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.3 | 171.1 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | I34 T35 | I34-S176 CarbonylContact C-O 3.31Å; I34-S176 WeakPolarHBondContact CA-O 3.42Å; I34-S176 WeakPolarHBondContact CG1-O 3.44Å; T35-S176 PolarHBondContact N-O 3.3Å; T35-S176 PolarHBondContact O-N 3.04Å |
| 177 | Y | 92.6 | Very high | 86.8 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.7 | 179 | -67.4 | -80.9 | 0 | 0 | 0 | 110.8 | I34 F147 V148 T151 Q152 F181 W182 | I34-Y177 HydrophobicContact CD1-CD1 4.43Å; I34-Y177 HydrophobicContact CD1-CE1 4.08Å; F147-Y177 HydrophobicContact CD1-CE1 4.16Å; F147-Y177 HydrophobicContact CE1-CD1 4.28Å; F147-Y177 HydrophobicContact CE1-CE1 4.04Å; V148-Y177 HydrophobicContact CG2-CE1 4.17Å; T151-Y177 PolarHBondContact OG1-OH 3.46Å; T151-Y177 VanDerWaalsContact OG1-OH 3.11Å; Q152-Y177 PolarHBondContact NE2-OH 3.1Å; Y177-F181 HydrophobicContact CD1-CB 4.37Å; Y177-F181 AromaticContact CD1-CD1 3.71Å; Y177-F181 HydrophobicContact CD1-CD1 3.71Å; Y177-F181 AromaticContact CD1-CD2 3.93Å; Y177-F181 HydrophobicContact CD1-CD2 3.93Å; Y177-F181 AromaticContact CD1-CE1 3.87Å; Y177-F181 HydrophobicContact CD1-CE1 3.87Å; Y177-F181 HydrophobicContact CD1-CE2 4.1Å; Y177-F181 AromaticContact CD1-CG 3.73Å; Y177-F181 HydrophobicContact CD1-CG 3.73Å; Y177-F181 HydrophobicContact CD1-CZ 4.06Å; Y177-F181 HydrophobicContact CE1-CD2 4.39Å; Y177-F181 HydrophobicContact CE1-CE1 4.41Å; Y177-F181 HydrophobicContact CE1-CE2 4.2Å; Y177-F181 HydrophobicContact CE1-CZ 4.2Å; Y177-F181 AromaticContact CG-CD1 3.79Å; Y177-F181 HydrophobicContact CG-CD1 3.79Å; Y177-F181 AromaticContact CG-CE1 3.95Å; Y177-F181 HydrophobicContact CG-CE1 3.95Å; Y177-F181 HydrophobicContact CG-CG 4.22Å; Y177-W182 PolarHBondContact O-NE1 3.49Å |
| 178 | G | 92 | Very high | 87.9 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 19% | 0.186 | 30% | 0.298 | C | S | . | . | trans | -82.8 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A32 W33 S180 F181 W182 | A32-G178 CarbonylContact O-C 3.56Å; A32-G178 VanDerWaalsContact O-C 3.31Å; A32-G178 VanDerWaalsContact O-CA 3.27Å; A32-G178 WeakPolarHBondContact O-CA 3.38Å; W33-G178 PolarHBondContact O-N 2.67Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.46Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 3.3Å; G178-W182 PolarHBondContact O-N 2.88Å | ||
| 179 | Y | 93.1 | Very high | 89.1 | Confident | 133 Ų | 133 | 58 Ų | 58 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -34.9 | -175.2 | 68.7 | -94.8 | 0 | 0 | 0 | 112.9 | T30 A32 F181 W182 L183 | T30-Y179 HydrophobicContact CG2-CE2 4.31Å; T30-Y179 WeakPolarHBondContact CG2-OH 3.33Å; A32-Y179 HydrophobicContact CB-CD1 3.76Å; A32-Y179 HydrophobicContact CB-CE1 3.18Å; A32-Y179 HydrophobicContact CB-CE2 4.5Å; A32-Y179 PolarHBondContact O-N 2.85Å; Y179-F181 PolarHBondContact O-N 2.69Å; Y179-W182 PolarHBondContact O-N 2.84Å; Y179-W182 VanDerWaalsContact O-N 3.13Å; Y179-L183 HydrophobicContact CD2-CD1 4.03Å; Y179-L183 WeakPolarHBondContact O-CG 3.46Å; Y179-L183 PolarHBondContact O-N 3.14Å |
| 180 | S | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -32.1 | -179 | -55.1 | 0 | 0 | 0 | 0 | 112 | I27 T30 A32 W33 G178 | I27-S180 WeakPolarHBondContact CG2-O 3.28Å; T30-S180 WeakPolarHBondContact CB-OG 3.32Å; T30-S180 WeakPolarHBondContact OG1-CB 3.33Å; T30-S180 PolarHBondContact OG1-OG 2.97Å; A32-S180 WeakPolarHBondContact O-CB 3.4Å; A32-S180 PolarHBondContact O-N 3.15Å; A32-S180 PolarHBondContact O-OG 2.74Å; W33-S180 VanDerWaalsContact CD1-CB 3.42Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.46Å |
| 181 | F | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70 | -46.4 | 174.3 | 177.5 | -98.6 | 0 | 0 | 0 | 111.4 | W33 M144 F147 V148 Y177 G178 Y179 L183 I184 | W33-F181 HydrophobicContact CE3-CD2 4.28Å; W33-F181 HydrophobicContact CZ3-CD2 4.48Å; W33-F181 WeakPolarHBondContact O-CB 3.38Å; M144-F181 HydrophobicContact CE-CE1 3.62Å; M144-F181 HydrophobicContact CE-CZ 3.57Å; M144-F181 HydrophobicContact CG-CE1 4.47Å; M144-F181 HydrophobicContact CG-CE2 3.77Å; M144-F181 HydrophobicContact CG-CZ 3.57Å; M144-F181 HydrophobicContact SD-CZ 4.42Å; F147-F181 AromaticContact CD1-CD2 3.76Å; F147-F181 HydrophobicContact CD1-CD2 3.76Å; F147-F181 AromaticContact CD1-CE2 3.85Å; F147-F181 HydrophobicContact CD1-CE2 3.85Å; F147-F181 HydrophobicContact CE1-CD2 4.19Å; V148-F181 HydrophobicContact CG2-CE2 3.82Å; V148-F181 HydrophobicContact CG2-CZ 3.5Å; V148-F181 VanDerWaalsContact CG2-CZ 3.5Å; Y177-F181 HydrophobicContact CD1-CB 4.37Å; Y177-F181 AromaticContact CD1-CD1 3.71Å; Y177-F181 HydrophobicContact CD1-CD1 3.71Å; Y177-F181 AromaticContact CD1-CD2 3.93Å; Y177-F181 HydrophobicContact CD1-CD2 3.93Å; Y177-F181 AromaticContact CD1-CE1 3.87Å; Y177-F181 HydrophobicContact CD1-CE1 3.87Å; Y177-F181 HydrophobicContact CD1-CE2 4.1Å; Y177-F181 AromaticContact CD1-CG 3.73Å; Y177-F181 HydrophobicContact CD1-CG 3.73Å; Y177-F181 HydrophobicContact CD1-CZ 4.06Å; Y177-F181 HydrophobicContact CE1-CD2 4.39Å; Y177-F181 HydrophobicContact CE1-CE1 4.41Å; Y177-F181 HydrophobicContact CE1-CE2 4.2Å; Y177-F181 HydrophobicContact CE1-CZ 4.2Å; Y177-F181 AromaticContact CG-CD1 3.79Å; Y177-F181 HydrophobicContact CG-CD1 3.79Å; Y177-F181 AromaticContact CG-CE1 3.95Å; Y177-F181 HydrophobicContact CG-CE1 3.95Å; Y177-F181 HydrophobicContact CG-CG 4.22Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 3.3Å; Y179-F181 PolarHBondContact O-N 2.69Å; F181-L183 VanDerWaalsContact C-N 3.28Å; F181-L183 PolarHBondContact O-N 2.89Å; F181-I184 HydrophobicContact CD2-CD1 4.21Å; F181-I184 VanDerWaalsContact O-CB 3.26Å; F181-I184 WeakPolarHBondContact O-CB 3.33Å; F181-I184 WeakPolarHBondContact O-CD1 3.38Å; F181-I184 VanDerWaalsContact O-CG1 3.28Å; F181-I184 WeakPolarHBondContact O-CG1 3.43Å; F181-I184 PolarHBondContact O-N 3.03Å; F181-I184 VanDerWaalsContact O-N 3.12Å |
| 182 | W | 95.5 | Very high | 92.7 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 52% | 0.523 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -26.6 | -179.8 | -65.6 | 110.7 | 0 | 0 | 0 | 113.7 | Y177 G178 Y179 I184 L185 | Y177-W182 PolarHBondContact O-NE1 3.49Å; G178-W182 PolarHBondContact O-N 2.88Å; Y179-W182 PolarHBondContact O-N 2.84Å; Y179-W182 VanDerWaalsContact O-N 3.13Å; W182-I184 PolarHBondContact O-N 3.49Å; W182-I184 VanDerWaalsContact O-N 3.11Å; W182-L185 HydrophobicContact CE3-CD1 3.74Å; W182-L185 HydrophobicContact CZ3-CD1 4Å; W182-L185 WeakPolarHBondContact O-CB 3.45Å; W182-L185 PolarHBondContact O-N 3.22Å |
| 183 | L | 95.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -17.8 | 172.5 | -76.2 | 177.2 | 0 | 0 | 0 | 113.3 | V23 I27 Y179 F181 L185 L186 I187 | V23-L183 HydrophobicContact CG1-CB 3.88Å; V23-L183 HydrophobicContact CG1-CD1 4.4Å; V23-L183 HydrophobicContact CG1-CD2 4.27Å; V23-L183 HydrophobicContact CG1-CG 4.41Å; I27-L183 HydrophobicContact CG2-CB 3.58Å; I27-L183 HydrophobicContact CG2-CD1 3.81Å; I27-L183 HydrophobicContact CG2-CG 4.35Å; Y179-L183 HydrophobicContact CD2-CD1 4.03Å; Y179-L183 WeakPolarHBondContact O-CG 3.46Å; Y179-L183 PolarHBondContact O-N 3.14Å; F181-L183 VanDerWaalsContact C-N 3.28Å; F181-L183 PolarHBondContact O-N 2.89Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.17Å; L183-L186 HydrophobicContact CD2-CB 4.44Å; L183-L186 HydrophobicContact CD2-CD2 3.77Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 PolarHBondContact O-N 3.39Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.28Å; L183-I187 VanDerWaalsContact O-N 3.08Å |
| 184 | I | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 169.9 | -63.6 | 170.3 | 0 | 0 | 0 | 111.4 | I27 W33 V140 M144 F181 W182 L186 I187 I188 | I27-I184 HydrophobicContact CD1-CG1 4.09Å; W33-I184 HydrophobicContact CH2-CD1 3.78Å; W33-I184 HydrophobicContact CH2-CG1 4.41Å; W33-I184 HydrophobicContact CZ3-CD1 3.78Å; V140-I184 HydrophobicContact CB-CG2 4.01Å; V140-I184 HydrophobicContact CG2-CG2 4.28Å; M144-I184 HydrophobicContact CB-CD1 4.3Å; M144-I184 HydrophobicContact CB-CG2 4.18Å; M144-I184 HydrophobicContact SD-CG2 4.43Å; F181-I184 HydrophobicContact CD2-CD1 4.21Å; F181-I184 VanDerWaalsContact O-CB 3.26Å; F181-I184 WeakPolarHBondContact O-CB 3.33Å; F181-I184 WeakPolarHBondContact O-CD1 3.38Å; F181-I184 VanDerWaalsContact O-CG1 3.28Å; F181-I184 WeakPolarHBondContact O-CG1 3.43Å; F181-I184 PolarHBondContact O-N 3.03Å; F181-I184 VanDerWaalsContact O-N 3.12Å; W182-I184 PolarHBondContact O-N 3.49Å; W182-I184 VanDerWaalsContact O-N 3.11Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 2.93Å; I184-I187 WeakPolarHBondContact O-CB 3.39Å; I184-I187 PolarHBondContact O-N 3.43Å; I184-I187 VanDerWaalsContact O-N 3.17Å; I184-I188 HydrophobicContact CG2-CD1 4.39Å; I184-I188 PolarHBondContact O-N 2.97Å; I184-I188 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 96.4 | Very high | 95 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 177 | -63.4 | -179.2 | 0 | 0 | 0 | 111.6 | M144 W182 L183 I187 I188 L189 | M144-L185 HydrophobicContact CE-CD2 4.19Å; M144-L185 HydrophobicContact CE-CG 4.49Å; M144-L185 HydrophobicContact SD-CD2 4.02Å; W182-L185 HydrophobicContact CE3-CD1 3.74Å; W182-L185 HydrophobicContact CZ3-CD1 4Å; W182-L185 WeakPolarHBondContact O-CB 3.45Å; W182-L185 PolarHBondContact O-N 3.22Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.17Å; L185-I187 VanDerWaalsContact C-N 3.32Å; L185-I187 PolarHBondContact O-N 2.95Å; L185-I188 HydrophobicContact CD2-CD1 4.44Å; L185-I188 PolarHBondContact O-N 2.91Å; L185-L189 WeakPolarHBondContact O-CB 2.93Å; L185-L189 PolarHBondContact O-N 3.42Å |
| 186 | L | 96.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 174 | 179.8 | 62.7 | 0 | 0 | 0 | 111.1 | V23 L183 I184 L189 L190 | V23-L186 HydrophobicContact CG2-CD2 4.09Å; L183-L186 HydrophobicContact CD2-CB 4.44Å; L183-L186 HydrophobicContact CD2-CD2 3.77Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 PolarHBondContact O-N 3.39Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 2.93Å; L186-L189 HydrophobicContact CD1-CD2 4.4Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.98Å; L186-L190 HydrophobicContact CD1-CD1 4.46Å; L186-L190 HydrophobicContact CD1-CG 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.13Å; L186-L190 HydrophobicContact CG-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 VanDerWaalsContact O-CG 3.27Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 2.88Å |
| 187 | I | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.2 | -67 | 158 | 0 | 0 | 0 | 111 | S20 V23 I24 I27 V140 L183 I184 L185 L189 L190 N191 | S20-I187 WeakPolarHBondContact OG-CG2 3.32Å; V23-I187 HydrophobicContact CB-CD1 4.38Å; V23-I187 HydrophobicContact CB-CG1 3.94Å; V23-I187 HydrophobicContact CG1-CD1 3.81Å; V23-I187 HydrophobicContact CG1-CG1 3.6Å; I24-I187 HydrophobicContact CB-CD1 4.4Å; I24-I187 HydrophobicContact CD1-CG2 4.14Å; I24-I187 HydrophobicContact CG1-CD1 3.44Å; I24-I187 VanDerWaalsContact CG1-CD1 3.44Å; I24-I187 HydrophobicContact CG1-CG1 3.96Å; I24-I187 HydrophobicContact CG1-CG2 4.15Å; I27-I187 HydrophobicContact CD1-CD1 3.53Å; V140-I187 HydrophobicContact CB-CG2 4.48Å; V140-I187 HydrophobicContact CG1-CG2 3.9Å; V140-I187 HydrophobicContact CG2-CG2 4.03Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.28Å; L183-I187 VanDerWaalsContact O-N 3.08Å; I184-I187 WeakPolarHBondContact O-CB 3.39Å; I184-I187 PolarHBondContact O-N 3.43Å; I184-I187 VanDerWaalsContact O-N 3.17Å; L185-I187 VanDerWaalsContact C-N 3.32Å; L185-I187 PolarHBondContact O-N 2.95Å; I187-L189 VanDerWaalsContact C-N 3.34Å; I187-L189 PolarHBondContact O-N 3.02Å; I187-L190 PolarHBondContact O-N 2.91Å; I187-N191 PolarHBondContact O-N 2.84Å; I187-N191 PolarHBondContact O-ND2 3.37Å |
| 188 | I | 97 | Very high | 95.3 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.4 | -64.9 | 170.7 | 0 | 0 | 0 | 110.3 | V140 F141 I184 L185 L190 N191 I192 | V140-I188 HydrophobicContact CG2-CD1 4.24Å; V140-I188 HydrophobicContact CG2-CG1 3.56Å; F141-I188 HydrophobicContact CB-CD1 4.32Å; F141-I188 HydrophobicContact CD2-CD1 4.3Å; I184-I188 HydrophobicContact CG2-CD1 4.39Å; I184-I188 PolarHBondContact O-N 2.97Å; I184-I188 VanDerWaalsContact O-N 3.08Å; L185-I188 HydrophobicContact CD2-CD1 4.44Å; L185-I188 PolarHBondContact O-N 2.91Å; I188-L190 PolarHBondContact O-N 2.86Å; I188-N191 PolarHBondContact O-N 2.91Å; I188-I192 HydrophobicContact CG2-CD1 3.9Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.04Å |
| 189 | L | 97.8 | Very high | 95.2 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 52% | 0.518 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -46.5 | 177.1 | -176.9 | 70.2 | 0 | 0 | 0 | 111.8 | L185 L186 I187 N191 I192 V193 | L185-L189 WeakPolarHBondContact O-CB 2.93Å; L185-L189 PolarHBondContact O-N 3.42Å; L186-L189 HydrophobicContact CD1-CD2 4.4Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.98Å; I187-L189 VanDerWaalsContact C-N 3.34Å; I187-L189 PolarHBondContact O-N 3.02Å; L189-N191 VanDerWaalsContact C-N 3.33Å; L189-N191 PolarHBondContact O-N 3.22Å; L189-I192 PolarHBondContact O-N 2.9Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.16Å |
| 190 | L | 97.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 179.1 | -71.8 | 171.2 | 0 | 0 | 0 | 112.2 | V23 L186 I187 I188 V193 T194 | V23-L190 HydrophobicContact CG2-CD1 4.46Å; L186-L190 HydrophobicContact CD1-CD1 4.46Å; L186-L190 HydrophobicContact CD1-CG 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.13Å; L186-L190 HydrophobicContact CG-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 VanDerWaalsContact O-CG 3.27Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 2.88Å; I187-L190 PolarHBondContact O-N 2.91Å; I188-L190 PolarHBondContact O-N 2.86Å; L190-V193 PolarHBondContact O-N 2.83Å; L190-T194 WeakPolarHBondContact O-CB 3.5Å; L190-T194 PolarHBondContact O-N 3.12Å; L190-T194 PolarHBondContact O-OG1 3.49Å |
| 191 | N | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 173.2 | -79.2 | -66.7 | 0 | 0 | 0 | 111.4 | N133 S136 A137 I187 I188 L189 V193 T194 V195 | N133-N191 WeakPolarHBondContact CA-OD1 3.27Å; N133-N191 HydrophobicContact CB-CB 4.25Å; N133-N191 PolarHBondContact O-OD1 3.41Å; N133-N191 PolarHBondContact OD1-OD1 3.15Å; S136-N191 PolarHBondContact OG-ND2 2.89Å; A137-N191 HydrophobicContact CB-CB 4.02Å; I187-N191 PolarHBondContact O-N 2.84Å; I187-N191 PolarHBondContact O-ND2 3.37Å; I188-N191 PolarHBondContact O-N 2.91Å; L189-N191 VanDerWaalsContact C-N 3.33Å; L189-N191 PolarHBondContact O-N 3.22Å; N191-V193 PolarHBondContact O-N 2.83Å; N191-T194 WeakPolarHBondContact O-CB 3.48Å; N191-T194 PolarHBondContact O-N 3.02Å; N191-V195 WeakPolarHBondContact O-CG2 3.25Å; N191-V195 PolarHBondContact O-N 3.09Å |
| 192 | I | 96.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.8 | -67.8 | 167.4 | 0 | 0 | 0 | 111.2 | I188 L189 T194 V195 T196 | I188-I192 HydrophobicContact CG2-CD1 3.9Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.04Å; L189-I192 PolarHBondContact O-N 2.9Å; I192-T194 VanDerWaalsContact C-N 3.31Å; I192-T194 PolarHBondContact O-N 2.74Å; I192-V195 PolarHBondContact O-N 2.84Å; I192-T196 WeakPolarHBondContact O-CB 3.5Å; I192-T196 PolarHBondContact O-N 3.49Å; I192-T196 PolarHBondContact O-OG1 3.01Å |
| 193 | V | 97 | Very high | 94.3 | Very high | 57 Ų | 57 | 51 Ų | 51 | 35% | 0.345 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | T16 L189 L190 N191 V195 T196 I197 | T16-V193 HydrophobicContact CG2-CG1 3.97Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.16Å; L190-V193 PolarHBondContact O-N 2.83Å; N191-V193 PolarHBondContact O-N 2.83Å; V193-V195 PolarHBondContact O-N 2.86Å; V193-T196 WeakPolarHBondContact O-CB 3.2Å; V193-T196 PolarHBondContact O-N 2.78Å; V193-I197 HydrophobicContact CG1-CD1 3.85Å; V193-I197 HydrophobicContact CG1-CG1 4.41Å; V193-I197 VanDerWaalsContact O-CG1 3.29Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 2.9Å |
| 194 | T | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | T16 S17 V129 N133 L190 N191 I192 T196 I197 I198 | T16-T194 VanDerWaalsContact CB-OG1 3.31Å; T16-T194 WeakPolarHBondContact CB-OG1 3.5Å; T16-T194 PolarHBondContact OG1-OG1 3.49Å; S17-T194 WeakPolarHBondContact OG-CG2 3.41Å; V129-T194 HydrophobicContact CG1-CG2 3.96Å; N133-T194 WeakPolarHBondContact OD1-CB 3.4Å; N133-T194 WeakPolarHBondContact OD1-CG2 3.27Å; L190-T194 WeakPolarHBondContact O-CB 3.5Å; L190-T194 PolarHBondContact O-N 3.12Å; L190-T194 PolarHBondContact O-OG1 3.49Å; N191-T194 WeakPolarHBondContact O-CB 3.48Å; N191-T194 PolarHBondContact O-N 3.02Å; I192-T194 VanDerWaalsContact C-N 3.31Å; I192-T194 PolarHBondContact O-N 2.74Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 2.88Å; T194-I197 PolarHBondContact O-N 2.9Å; T194-I198 WeakPolarHBondContact O-CG1 3.48Å; T194-I198 PolarHBondContact O-N 3.27Å |
| 195 | V | 94.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | Y130 N133 N191 I192 V193 I197 I198 I199 | Y130-V195 HydrophobicContact CD1-CB 4.3Å; Y130-V195 HydrophobicContact CD1-CG1 3.77Å; Y130-V195 HydrophobicContact CD1-CG2 4.18Å; Y130-V195 HydrophobicContact CE1-CG1 3.87Å; N133-V195 HydrophobicContact CB-CG2 3.73Å; N191-V195 WeakPolarHBondContact O-CG2 3.25Å; N191-V195 PolarHBondContact O-N 3.09Å; I192-V195 PolarHBondContact O-N 2.84Å; V193-V195 PolarHBondContact O-N 2.86Å; V195-I197 PolarHBondContact O-N 3.34Å; V195-I198 PolarHBondContact O-N 3.23Å; V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 HydrophobicContact CG1-CG1 4.38Å; V195-I199 WeakPolarHBondContact O-CG1 3.22Å; V195-I199 PolarHBondContact O-N 3.43Å |
| 196 | T | 94.7 | Very high | 92.7 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | -179.5 | -60.5 | 0 | 0 | 0 | 0 | 112 | I192 V193 T194 I198 I199 F200 | I192-T196 WeakPolarHBondContact O-CB 3.5Å; I192-T196 PolarHBondContact O-N 3.49Å; I192-T196 PolarHBondContact O-OG1 3.01Å; V193-T196 WeakPolarHBondContact O-CB 3.2Å; V193-T196 PolarHBondContact O-N 2.78Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 2.88Å; T196-I198 VanDerWaalsContact C-N 3.29Å; T196-I198 PolarHBondContact O-N 3.07Å; T196-I199 PolarHBondContact O-N 2.59Å; T196-F200 HydrophobicContact CG2-CD2 3.73Å; T196-F200 HydrophobicContact CG2-CE2 3.43Å; T196-F200 VanDerWaalsContact CG2-CE2 3.43Å; T196-F200 WeakPolarHBondContact O-CD2 3.32Å; T196-F200 PolarHBondContact O-N 3.03Å |
| 197 | I | 93.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.3 | -66.5 | 160.7 | 0 | 0 | 0 | 110.7 | M9 S13 T16 V193 T194 V195 F200 Y201 | M9-I197 HydrophobicContact CB-CG2 4.06Å; M9-I197 WeakPolarHBondContact O-CG2 3.44Å; S13-I197 WeakPolarHBondContact OG-CB 3.41Å; S13-I197 WeakPolarHBondContact OG-CG2 3.3Å; T16-I197 HydrophobicContact CG2-CD1 4.28Å; V193-I197 HydrophobicContact CG1-CD1 3.85Å; V193-I197 HydrophobicContact CG1-CG1 4.41Å; V193-I197 VanDerWaalsContact O-CG1 3.29Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 2.9Å; T194-I197 PolarHBondContact O-N 2.9Å; V195-I197 PolarHBondContact O-N 3.34Å; I197-F200 PolarHBondContact O-N 3.16Å; I197-Y201 PolarHBondContact O-N 3.3Å |
| 198 | I | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 179.8 | -60.9 | -57.4 | 0 | 0 | 0 | 111.9 | F10 S13 P126 V129 Y130 T194 V195 T196 Y201 Q202 | F10-I198 HydrophobicContact CD1-CD1 3.76Å; F10-I198 HydrophobicContact CE1-CD1 3.59Å; F10-I198 HydrophobicContact CG-CD1 4.46Å; F10-I198 HydrophobicContact CZ-CD1 4.16Å; S13-I198 VanDerWaalsContact OG-CD1 3.28Å; S13-I198 WeakPolarHBondContact OG-CD1 3.46Å; P126-I198 HydrophobicContact CB-CG2 3.56Å; P126-I198 HydrophobicContact CG-CG2 4.22Å; V129-I198 HydrophobicContact CB-CG1 4.34Å; V129-I198 HydrophobicContact CG1-CG1 3.87Å; Y130-I198 HydrophobicContact CD1-CG2 4.5Å; Y130-I198 HydrophobicContact CE1-CB 3.8Å; Y130-I198 HydrophobicContact CE1-CG2 3.63Å; T194-I198 WeakPolarHBondContact O-CG1 3.48Å; T194-I198 PolarHBondContact O-N 3.27Å; V195-I198 PolarHBondContact O-N 3.23Å; T196-I198 VanDerWaalsContact C-N 3.29Å; T196-I198 PolarHBondContact O-N 3.07Å; I198-Y201 WeakPolarHBondContact O-CB 3.42Å; I198-Y201 PolarHBondContact O-N 2.9Å; I198-Q202 WeakPolarHBondContact O-CG 3.46Å; I198-Q202 PolarHBondContact O-N 3.27Å |
| 199 | I | 91.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 66.1 Ų | 66.1 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 173 | -69.6 | 169.3 | 0 | 0 | 0 | 110.3 | Y130 V195 T196 Y201 Q202 K203 | Y130-I199 HydrophobicContact CE1-CG1 3.92Å; Y130-I199 WeakPolarHBondContact OH-CA 3.29Å; Y130-I199 VanDerWaalsContact OH-CG1 3.25Å; Y130-I199 WeakPolarHBondContact OH-CG1 3.27Å; Y130-I199 PolarHBondContact OH-N 3.43Å; V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 HydrophobicContact CG1-CG1 4.38Å; V195-I199 WeakPolarHBondContact O-CG1 3.22Å; V195-I199 PolarHBondContact O-N 3.43Å; T196-I199 PolarHBondContact O-N 2.59Å; I199-Y201 VanDerWaalsContact C-N 3.31Å; I199-Y201 PolarHBondContact O-N 3.32Å; I199-Q202 PolarHBondContact O-N 2.73Å; I199-K203 PolarHBondContact O-N 3.02Å |
| 200 | F | 91.2 | Very high | 89.8 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 176.4 | -79.8 | -64 | 0 | 0 | 0 | 112 | T196 I197 K203 A204 | T196-F200 HydrophobicContact CG2-CD2 3.73Å; T196-F200 HydrophobicContact CG2-CE2 3.43Å; T196-F200 VanDerWaalsContact CG2-CE2 3.43Å; T196-F200 WeakPolarHBondContact O-CD2 3.32Å; T196-F200 PolarHBondContact O-N 3.03Å; I197-F200 PolarHBondContact O-N 3.16Å; F200-K203 PolarHBondContact O-N 3.06Å; F200-A204 WeakPolarHBondContact O-CB 3.42Å; F200-A204 PolarHBondContact O-N 2.91Å |
| 201 | Y | 89.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 172.7 | 168.3 | -107.3 | 0 | 0 | 0 | 112.3 | K6 M9 F10 P126 I197 I198 I199 K203 A204 R205 | K6-Y201 HydrophobicContact CB-CE2 3.76Å; K6-Y201 HydrophobicContact CG-CE2 3.7Å; M9-Y201 WeakPolarHBondContact SD-CA 3.32Å; M9-Y201 WeakPolarHBondContact SD-CB 3.47Å; M9-Y201 HydrophobicContact SD-CD2 3.87Å; M9-Y201 HydrophobicContact SD-CG 4.15Å; F10-Y201 AromaticContact CE2-CD1 3.71Å; F10-Y201 HydrophobicContact CE2-CD1 3.71Å; F10-Y201 HydrophobicContact CE2-CD2 4.45Å; F10-Y201 AromaticContact CE2-CE1 3.41Å; F10-Y201 HydrophobicContact CE2-CE1 3.41Å; F10-Y201 VanDerWaalsContact CE2-CE1 3.41Å; F10-Y201 HydrophobicContact CE2-CE2 4.22Å; F10-Y201 HydrophobicContact CE2-CG 4.21Å; F10-Y201 AromaticContact CE2-CZ 3.68Å; F10-Y201 HydrophobicContact CZ-CD1 4.03Å; F10-Y201 AromaticContact CZ-CE1 3.84Å; F10-Y201 HydrophobicContact CZ-CE1 3.84Å; P126-Y201 HydrophobicContact CG-CE1 4.48Å; I197-Y201 PolarHBondContact O-N 3.3Å; I198-Y201 WeakPolarHBondContact O-CB 3.42Å; I198-Y201 PolarHBondContact O-N 2.9Å; I199-Y201 VanDerWaalsContact C-N 3.31Å; I199-Y201 PolarHBondContact O-N 3.32Å; Y201-K203 PolarHBondContact O-N 2.89Å; Y201-A204 PolarHBondContact O-N 2.79Å; Y201-R205 WeakPolarHBondContact O-CB 3.45Å; Y201-R205 PolarHBondContact O-N 3.34Å |
| 202 | Q | 88.1 | Confident | 87.9 | Confident | 73 Ų | 73 | 76 Ų | 76 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 178.9 | -76.4 | -171.6 | -34.5 | 0 | 0 | 111.7 | P126 Y130 I198 I199 R205 Y206 | P126-Q202 HydrophobicContact CB-CG 4.03Å; P126-Q202 HydrophobicContact CG-CG 3.96Å; Y130-Q202 VanDerWaalsContact OH-CD 3.23Å; Y130-Q202 PolarHBondContact OH-OE1 3.05Å; I198-Q202 WeakPolarHBondContact O-CG 3.46Å; I198-Q202 PolarHBondContact O-N 3.27Å; I199-Q202 PolarHBondContact O-N 2.73Å; Q202-R205 PolarHBondContact O-N 3.06Å; Q202-Y206 WeakPolarHBondContact O-CB 3.29Å; Q202-Y206 PolarHBondContact O-N 3.08Å |
| 203 | K | 87.8 | Confident | 86.8 | Confident | 128 Ų | 128 | 80.3 Ų | 80.3 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 177.9 | -170.9 | 176.3 | -178.7 | 179 | 0 | 111.4 | I199 F200 Y201 R205 Y206 Q207 | I199-K203 PolarHBondContact O-N 3.02Å; F200-K203 PolarHBondContact O-N 3.06Å; Y201-K203 PolarHBondContact O-N 2.89Å; K203-R205 VanDerWaalsContact C-N 3.32Å; K203-R205 PolarHBondContact O-N 3.38Å; K203-Y206 PolarHBondContact O-N 2.89Å; K203-Q207 WeakPolarHBondContact O-CG 3.35Å; K203-Q207 PolarHBondContact O-N 3.2Å |
| 204 | A | 86.3 | Confident | 85.3 | Confident | 33 Ų | 33 | 84.2 Ų | 84.2 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F200 Y201 R208 | F200-A204 WeakPolarHBondContact O-CB 3.42Å; F200-A204 PolarHBondContact O-N 2.91Å; Y201-A204 PolarHBondContact O-N 2.79Å; A204-R208 PolarHBondContact O-N 3.01Å |
| 205 | R | 84.5 | Confident | 83.6 | Confident | 92 Ų | 92 | 88.1 Ų | 88.1 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.3 | -175.3 | -178.9 | -178 | -168.8 | 1.7 | 112 | Y201 Q202 K203 K209 | Y201-R205 WeakPolarHBondContact O-CB 3.45Å; Y201-R205 PolarHBondContact O-N 3.34Å; Q202-R205 PolarHBondContact O-N 3.06Å; K203-R205 VanDerWaalsContact C-N 3.32Å; K203-R205 PolarHBondContact O-N 3.38Å; R205-K209 PolarHBondContact O-N 2.95Å; R205-K209 VanDerWaalsContact O-N 3.12Å |
| 206 | Y | 83.8 | Confident | 81.8 | Confident | 142 Ų | 142 | 93.3 Ų | 93.3 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 179 | -178.6 | -101 | 0 | 0 | 0 | 111.5 | Q202 K203 R208 K209 Q210 | Q202-Y206 WeakPolarHBondContact O-CB 3.29Å; Q202-Y206 PolarHBondContact O-N 3.08Å; K203-Y206 PolarHBondContact O-N 2.89Å; Y206-R208 PolarHBondContact O-N 3.08Å; Y206-K209 PolarHBondContact O-N 3.01Å; Y206-K209 VanDerWaalsContact O-N 3.13Å; Y206-Q210 HydrophobicContact CD1-CG 4.38Å; Y206-Q210 HydrophobicContact CE1-CG 4Å; Y206-Q210 PolarHBondContact O-N 3.39Å; Y206-Q210 PolarHBondContact OH-NE2 3.46Å |
| 207 | Q | 83.4 | Confident | 79.9 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 175.4 | -73.5 | 176.9 | -28.8 | 0 | 0 | 111.8 | K203 K209 Q210 E211 | K203-Q207 WeakPolarHBondContact O-CG 3.35Å; K203-Q207 PolarHBondContact O-N 3.2Å; Q207-K209 VanDerWaalsContact C-N 3.33Å; Q207-K209 PolarHBondContact O-N 3.33Å; Q207-Q210 WeakPolarHBondContact O-CB 3.38Å; Q207-Q210 PolarHBondContact O-N 3.13Å; Q207-Q210 VanDerWaalsContact O-N 3.1Å; Q207-E211 WeakPolarHBondContact O-CG 3.37Å; Q207-E211 PolarHBondContact O-N 2.69Å |
| 208 | R | 81 | Confident | 78.1 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 175 | -78.5 | -172.8 | 175.8 | -159.5 | -7.4 | 113.4 | A204 Y206 Q210 E211 Q212 | A204-R208 PolarHBondContact O-N 3.01Å; Y206-R208 PolarHBondContact O-N 3.08Å; R208-Q210 VanDerWaalsContact C-N 3.31Å; R208-Q210 PolarHBondContact O-N 3.29Å; R208-E211 PolarHBondContact O-N 3.04Å; R208-Q212 WeakPolarHBondContact O-CB 3.26Å; R208-Q212 WeakPolarHBondContact O-CG 3.38Å; R208-Q212 PolarHBondContact O-N 3.04Å |
| 209 | K | 81.9 | Confident | 76.4 | Confident | 84 Ų | 84 | 110.3 Ų | 110.3 | 37% | 0.365 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 176.5 | -78.5 | -173.4 | 174.8 | -170.5 | 0 | 111.7 | R205 Y206 Q207 R213 | R205-K209 PolarHBondContact O-N 2.95Å; R205-K209 VanDerWaalsContact O-N 3.12Å; Y206-K209 PolarHBondContact O-N 3.01Å; Y206-K209 VanDerWaalsContact O-N 3.13Å; Q207-K209 VanDerWaalsContact C-N 3.33Å; Q207-K209 PolarHBondContact O-N 3.33Å; K209-R213 WeakPolarHBondContact O-CG 3.23Å; K209-R213 PolarHBondContact O-N 3.4Å |
| 210 | Q | 80.8 | Confident | 74.9 | Confident | 83 Ų | 83 | 111.2 Ų | 111.2 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 174.5 | -69.9 | -171.2 | -27.9 | 0 | 0 | 111.6 | Y206 Q207 R208 Q212 R213 K214 | Y206-Q210 HydrophobicContact CD1-CG 4.38Å; Y206-Q210 HydrophobicContact CE1-CG 4Å; Y206-Q210 PolarHBondContact O-N 3.39Å; Y206-Q210 PolarHBondContact OH-NE2 3.46Å; Q207-Q210 WeakPolarHBondContact O-CB 3.38Å; Q207-Q210 PolarHBondContact O-N 3.13Å; Q207-Q210 VanDerWaalsContact O-N 3.1Å; R208-Q210 VanDerWaalsContact C-N 3.31Å; R208-Q210 PolarHBondContact O-N 3.29Å; Q210-Q212 PolarHBondContact O-N 3.31Å; Q210-R213 PolarHBondContact O-N 3.47Å; Q210-R213 VanDerWaalsContact O-N 3.12Å; Q210-K214 WeakPolarHBondContact O-CG 3.47Å; Q210-K214 PolarHBondContact O-N 3.35Å; Q210-K214 VanDerWaalsContact O-N 3.16Å |
| 211 | E | 78.9 | Confident | 73.4 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.7 | -31.3 | 175.3 | -73.2 | 171.3 | -178.7 | 0 | 0 | 112.8 | Q207 R208 P215 | Q207-E211 WeakPolarHBondContact O-CG 3.37Å; Q207-E211 PolarHBondContact O-N 2.69Å; R208-E211 PolarHBondContact O-N 3.04Å; E211-P215 WeakPolarHBondContact O-CD 3.23Å; E211-P215 WeakPolarHBondContact O-CG 3.49Å |
| 212 | Q | 75.6 | Confident | 72 | Confident | 133 Ų | 133 | 122.8 Ų | 122.8 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -80.1 | -23 | 174.9 | -74.4 | 178.4 | -22.4 | 0 | 0 | 113.8 | R208 Q210 P215 | R208-Q212 WeakPolarHBondContact O-CB 3.26Å; R208-Q212 WeakPolarHBondContact O-CG 3.38Å; R208-Q212 PolarHBondContact O-N 3.04Å; Q210-Q212 PolarHBondContact O-N 3.31Å; Q212-P215 WeakPolarHBondContact O-CD 3.24Å; Q212-P215 WeakPolarHBondContact O-CG 3.49Å |
| 213 | R | 72.6 | Confident | 70.7 | Confident | 183 Ų | 183 | 122.5 Ų | 122.5 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.9 | -42.5 | 175.3 | -77.9 | -179.9 | 177.4 | -164.4 | -2.6 | 112.2 | K209 Q210 M216 E217 | K209-R213 WeakPolarHBondContact O-CG 3.23Å; K209-R213 PolarHBondContact O-N 3.4Å; Q210-R213 PolarHBondContact O-N 3.47Å; Q210-R213 VanDerWaalsContact O-N 3.12Å; R213-M216 PolarHBondContact O-N 2.74Å; R213-M216 VanDerWaalsContact O-N 3.1Å; R213-E217 PolarHBondContact O-N 2.93Å |
| 214 | K | 66.4 | Low | 69.5 | Low | 140 Ų | 140 | 124 Ų | 124 | 61% | 0.609 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -50.1 | -43.1 | 177 | -69.6 | -179.4 | -179.6 | -173.4 | 0 | 114.9 | Q210 E217 | Q210-K214 WeakPolarHBondContact O-CG 3.47Å; Q210-K214 PolarHBondContact O-N 3.35Å; Q210-K214 VanDerWaalsContact O-N 3.16Å; K214-E217 PolarHBondContact O-N 2.81Å |
| 215 | P | 59 | Low | 68.1 | Low | 81 Ų | 81 | 130 Ų | 130 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.2 | -22.9 | 179 | 24.9 | -33.8 | 0 | 0 | 0 | 114.2 | E211 Q212 | E211-P215 WeakPolarHBondContact O-CD 3.23Å; E211-P215 WeakPolarHBondContact O-CG 3.49Å; Q212-P215 WeakPolarHBondContact O-CD 3.24Å; Q212-P215 WeakPolarHBondContact O-CG 3.49Å |
| 216 | M | 55.4 | Low | 66.9 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.3 | -27.4 | 172.9 | -92.8 | -169.7 | -71.6 | 0 | 0 | 112.5 | R213 Y218 A219 | R213-M216 PolarHBondContact O-N 2.74Å; R213-M216 VanDerWaalsContact O-N 3.1Å; M216-Y218 VanDerWaalsContact C-N 3.28Å; M216-A219 PolarHBondContact O-N 3.17Å |
| 217 | E | 56.6 | Low | 66 | Low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.9 | -18.1 | 178.8 | -154.9 | 149.6 | -161.2 | 0 | 0 | 112.5 | R213 K214 | R213-E217 PolarHBondContact O-N 2.93Å; K214-E217 PolarHBondContact O-N 2.81Å |
| 218 | Y | 54.6 | Low | 65.1 | Low | 210 Ų | 210 | 141.5 Ų | 141.5 | 82% | 0.824 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.8 | 173.1 | -89.8 | -88.1 | 0 | 0 | 0 | 114.2 | M216 P220 | M216-Y218 VanDerWaalsContact C-N 3.28Å; Y218-P220 WeakPolarHBondContact O-CD 3.47Å |
| 219 | A | 56.9 | Low | 64.2 | Low | 61 Ų | 61 | 143.5 Ų | 143.5 | 50% | 0.504 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -68 | 121.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | M216 R221 | M216-A219 PolarHBondContact O-N 3.17Å; A219-R221 PolarHBondContact O-N 3.5Å |
| 220 | P | 58.2 | Low | 63.2 | Low | 103 Ų | 103 | 147 Ų | 147 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | trans | -61 | 126.2 | -176.7 | 23.7 | -31.2 | 0 | 0 | 0 | 109.1 | Y218 D222 | Y218-P220 WeakPolarHBondContact O-CD 3.47Å; P220-D222 HydrophobicContact CB-CB 4.4Å; P220-D222 PolarHBondContact O-N 3.13Å | ||
| 221 | R | 59.6 | Low | 62.1 | Low | 241 Ų | 241 | 151 Ų | 151 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -74.6 | 21 | 171.9 | -75.5 | -156.7 | -168.5 | -169.8 | 7 | 112.4 | A219 G223 | A219-R221 PolarHBondContact O-N 3.5Å; R221-G223 VanDerWaalsContact C-N 3.28Å; R221-G223 PolarHBondContact O-N 3.33Å |
| 222 | D | 61 | Low | 61 | Low | 152 Ų | 152 | 152.7 Ų | 152.7 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 13.2 | -170 | -57.6 | -29.5 | 0 | 0 | 0 | 112.9 | P220 | P220-D222 HydrophobicContact CB-CB 4.4Å; P220-D222 PolarHBondContact O-N 3.13Å |
| 223 | G | 61.2 | Low | 59.9 | Low | 66 Ų | 66 | 154.1 Ų | 154.1 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 9.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R221 | R221-G223 VanDerWaalsContact C-N 3.28Å; R221-G223 PolarHBondContact O-N 3.33Å |
| 224 | I | 61.7 | Low | 59 | Low | 161 Ų | 161 | 151.9 Ų | 151.9 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -125.3 | 70.2 | 178.2 | -39.4 | 176.5 | 0 | 0 | 0 | 109.8 | ||||
| 225 | L | 56.8 | Low | 58.3 | Low | 158 Ų | 158 | 152.9 Ų | 152.9 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -144.3 | 74 | 165.9 | -100.2 | 161.1 | 0 | 0 | 0 | 107.4 | ||||
| 226 | F | 58.9 | Low | 58.3 | Low | 285 Ų | 285 | 159.5 Ų | 159.5 | 100% | 1.25 | 80% | 0.802 | S | S | * | * | trans | -146.3 | 0 | 156.9 | -66.3 | -66.8 | 0 | 0 | 0 | 108.7 |
Retrieved 226 of 226 residues in 253 ms
(Link to these results)