| 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 | 54.9 | Low | 81.9 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 71% | 0.714 | 44% | 0.438 | S | S | * | . | 0 | 130.2 | 0 | -79.6 | -178.5 | -89.6 | 0 | 0 | 107.4 | A3 M206 | M1-A3 PolarHBondContact O-N 3.37Å; M1-M206 HydrophobicContact CE-CG 4.32Å | |||
| 2 | S | 68.4 | Low | 82.8 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | trans | -64.4 | 129.4 | -167.8 | 75.9 | 0 | 0 | 0 | 0 | 110.5 | F4 R5 | S2-F4 PolarHBondContact O-N 3.24Å; S2-R5 PolarHBondContact O-N 3.33Å | ||
| 3 | A | 78.2 | Confident | 83.6 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 69% | 0.686 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -48.7 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 R5 N6 L7 | M1-A3 PolarHBondContact O-N 3.37Å; A3-R5 PolarHBondContact O-N 3.09Å; A3-N6 PolarHBondContact O-N 3.23Å; A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.12Å |
| 4 | F | 83.4 | Confident | 84.3 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53.6 | -48.2 | 171.3 | 178.7 | -98.3 | 0 | 0 | 0 | 114.1 | S2 N6 L7 A8 L299 | S2-F4 PolarHBondContact O-N 3.24Å; F4-N6 VanDerWaalsContact C-N 3.34Å; F4-N6 PolarHBondContact O-N 3.31Å; F4-L7 PolarHBondContact O-N 2.68Å; F4-A8 HydrophobicContact CE1-CB 4.49Å; F4-A8 VanDerWaalsContact O-CB 3.29Å; F4-A8 WeakPolarHBondContact O-CB 3.18Å; F4-A8 PolarHBondContact O-N 3.32Å; F4-L299 HydrophobicContact CE1-CB 4.31Å |
| 5 | R | 84.7 | Confident | 84.9 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | -178.5 | -71.3 | 179.5 | -168.8 | -178.9 | -0.5 | 111.4 | S2 A3 A8 W9 V185 A300 | S2-R5 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 3.09Å; R5-A8 PolarHBondContact O-N 3.22Å; R5-W9 VanDerWaalsContact O-CB 3.23Å; R5-W9 WeakPolarHBondContact O-CB 3.44Å; R5-W9 PolarHBondContact O-N 3.28Å; R5-V185 HydrophobicContact CB-CG1 4.18Å; R5-A300 HydrophobicContact CG-CB 4.25Å; R5-A300 PolarHBondContact NE-O 3.36Å; R5-A300 PolarHBondContact NH2-O 2.86Å |
| 6 | N | 83.1 | Confident | 85.6 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 178.9 | -71.8 | -10.3 | 0 | 0 | 0 | 111.1 | A3 F4 F10 | A3-N6 PolarHBondContact O-N 3.23Å; F4-N6 VanDerWaalsContact C-N 3.34Å; F4-N6 PolarHBondContact O-N 3.31Å; N6-F10 VanDerWaalsContact O-CB 3.24Å; N6-F10 WeakPolarHBondContact O-CB 3.19Å; N6-F10 PolarHBondContact O-N 2.97Å |
| 7 | L | 87.1 | Confident | 86.2 | Confident | 121 Ų | 121 | 69.7 Ų | 69.7 | 63% | 0.634 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 175.9 | -172.6 | 70.2 | 0 | 0 | 0 | 111.8 | A3 F4 F10 S11 | A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.12Å; F4-L7 PolarHBondContact O-N 2.68Å; L7-F10 PolarHBondContact O-N 3.19Å; L7-S11 VanDerWaalsContact O-CB 3.27Å; L7-S11 WeakPolarHBondContact O-CB 3.2Å; L7-S11 PolarHBondContact O-N 3.45Å |
| 8 | A | 88.7 | Confident | 86.8 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F4 R5 K12 | F4-A8 HydrophobicContact CE1-CB 4.49Å; F4-A8 VanDerWaalsContact O-CB 3.29Å; F4-A8 WeakPolarHBondContact O-CB 3.18Å; F4-A8 PolarHBondContact O-N 3.32Å; R5-A8 PolarHBondContact O-N 3.22Å; A8-K12 WeakPolarHBondContact O-CB 3.41Å; A8-K12 PolarHBondContact O-N 3.26Å |
| 9 | W | 90.4 | Very high | 87.3 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.3 | -179.7 | 84.4 | 0 | 0 | 0 | 111.9 | R5 K12 G13 G181 V185 W238 L297 | R5-W9 VanDerWaalsContact O-CB 3.23Å; R5-W9 WeakPolarHBondContact O-CB 3.44Å; R5-W9 PolarHBondContact O-N 3.28Å; W9-K12 PolarHBondContact O-N 3.4Å; W9-G13 PolarHBondContact O-N 2.73Å; W9-G181 PolarHBondContact NE1-O 3.15Å; W9-V185 HydrophobicContact CB-CG1 3.6Å; W9-V185 HydrophobicContact CG-CG1 3.93Å; W9-W238 HydrophobicContact CE3-CZ2 4.19Å; W9-W238 AromaticContact CH2-CE2 3.69Å; W9-W238 AromaticContact CH2-CZ2 3.47Å; W9-W238 HydrophobicContact CH2-CZ2 3.47Å; W9-W238 VanDerWaalsContact CH2-CZ2 3.47Å; W9-W238 AromaticContact CH2-NE1 3.42Å; W9-W238 AromaticContact CZ2-CZ2 4Å; W9-W238 HydrophobicContact CZ2-CZ2 4Å; W9-W238 AromaticContact CZ2-NE1 3.44Å; W9-W238 HydrophobicContact CZ3-CH2 4.48Å; W9-W238 AromaticContact CZ3-CZ2 3.58Å; W9-W238 HydrophobicContact CZ3-CZ2 3.58Å; W9-L297 HydrophobicContact CB-CD1 3.72Å; W9-L297 HydrophobicContact CG-CD1 4.24Å |
| 10 | F | 90.2 | Very high | 87.8 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 179.8 | -172.5 | -97.8 | 0 | 0 | 0 | 111.5 | N6 L7 G13 M14 W238 M255 | N6-F10 VanDerWaalsContact O-CB 3.24Å; N6-F10 WeakPolarHBondContact O-CB 3.19Å; N6-F10 PolarHBondContact O-N 2.97Å; L7-F10 PolarHBondContact O-N 3.19Å; F10-G13 PolarHBondContact O-N 2.8Å; F10-M14 HydrophobicContact CD1-CG 3.93Å; F10-M14 HydrophobicContact CE1-CG 3.52Å; F10-M14 HydrophobicContact CE1-SD 4.01Å; F10-M14 HydrophobicContact CE2-CG 4.46Å; F10-M14 HydrophobicContact CE2-SD 4.37Å; F10-M14 HydrophobicContact CZ-CG 3.81Å; F10-M14 HydrophobicContact CZ-SD 3.72Å; F10-M14 WeakPolarHBondContact O-CB 3.25Å; F10-M14 WeakPolarHBondContact O-CG 3.33Å; F10-M14 PolarHBondContact O-N 3.2Å; F10-W238 AromaticContact CD2-CH2 3.88Å; F10-W238 HydrophobicContact CD2-CH2 3.88Å; F10-W238 HydrophobicContact CE2-CH2 4.01Å; F10-M255 HydrophobicContact CE2-SD 4.47Å; F10-M255 HydrophobicContact CZ-SD 4.43Å |
| 11 | S | 91.9 | Very high | 88.3 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | L7 G13 M14 R15 | L7-S11 VanDerWaalsContact O-CB 3.27Å; L7-S11 WeakPolarHBondContact O-CB 3.2Å; L7-S11 PolarHBondContact O-N 3.45Å; S11-G13 VanDerWaalsContact C-N 3.31Å; S11-G13 PolarHBondContact O-N 3.49Å; S11-M14 PolarHBondContact O-N 3.1Å; S11-R15 PolarHBondContact O-N 2.71Å |
| 12 | K | 92.7 | Very high | 90.3 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 21% | 0.213 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 173.6 | -176.5 | 176.2 | 171.8 | 67.5 | 0 | 111 | A8 W9 R15 E16 Y17 L297 | A8-K12 WeakPolarHBondContact O-CB 3.41Å; A8-K12 PolarHBondContact O-N 3.26Å; W9-K12 PolarHBondContact O-N 3.4Å; K12-R15 PolarHBondContact O-N 3.39Å; K12-E16 WeakPolarHBondContact CE-OE2 3.28Å; K12-E16 IonicContact NZ-OE1 2.88Å; K12-E16 PolarHBondContact NZ-OE1 3.17Å; K12-E16 IonicContact NZ-OE2 3.67Å; K12-E16 PolarHBondContact NZ-OE2 3.14Å; K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 PolarHBondContact O-N 3.07Å; K12-Y17 VanDerWaalsContact CD-OH 3.31Å; K12-Y17 WeakPolarHBondContact CD-OH 3.42Å; K12-Y17 WeakPolarHBondContact CE-OH 3.28Å; K12-Y17 HydrophobicContact CG-CE1 4.29Å; K12-L297 HydrophobicContact CB-CD2 4.48Å; K12-L297 HydrophobicContact CD-CD2 3.7Å |
| 13 | G | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | W9 F10 S11 R15 E16 Y17 T18 | W9-G13 PolarHBondContact O-N 2.73Å; F10-G13 PolarHBondContact O-N 2.8Å; S11-G13 VanDerWaalsContact C-N 3.31Å; S11-G13 PolarHBondContact O-N 3.49Å; G13-R15 VanDerWaalsContact C-N 3.25Å; G13-R15 PolarHBondContact O-N 3.17Å; G13-E16 PolarHBondContact O-N 2.85Å; G13-Y17 VanDerWaalsContact CA-CG 3.44Å; G13-Y17 WeakPolarHBondContact O-CA 3.48Å; G13-Y17 WeakPolarHBondContact O-CB 3.43Å; G13-Y17 PolarHBondContact O-N 2.89Å; G13-T18 PolarHBondContact O-N 2.82Å |
| 14 | M | 93.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 172.9 | -76.6 | -57.3 | -51.1 | 0 | 0 | 112.3 | F10 S11 T18 W238 M255 K258 | F10-M14 HydrophobicContact CD1-CG 3.93Å; F10-M14 HydrophobicContact CE1-CG 3.52Å; F10-M14 HydrophobicContact CE1-SD 4.01Å; F10-M14 HydrophobicContact CE2-CG 4.46Å; F10-M14 HydrophobicContact CE2-SD 4.37Å; F10-M14 HydrophobicContact CZ-CG 3.81Å; F10-M14 HydrophobicContact CZ-SD 3.72Å; F10-M14 WeakPolarHBondContact O-CB 3.25Å; F10-M14 WeakPolarHBondContact O-CG 3.33Å; F10-M14 PolarHBondContact O-N 3.2Å; S11-M14 PolarHBondContact O-N 3.1Å; M14-T18 PolarHBondContact O-OG1 2.78Å; M14-T18 VanDerWaalsContact O-OG1 3.11Å; M14-T18 HydrophobicContact SD-CG2 4.49Å; M14-W238 HydrophobicContact CG-CZ3 4.49Å; M14-W238 HydrophobicContact SD-CZ3 3.99Å; M14-M255 HydrophobicContact CE-CE 4.45Å; M14-M255 HydrophobicContact SD-CE 3.59Å; M14-M255 VanDerWaalsContact SD-CE 3.59Å; M14-M255 HydrophobicContact SD-SD 4.18Å; M14-K258 HydrophobicContact CE-CD 3.9Å |
| 15 | R | 93.8 | Very high | 93.3 | Very high | 163 Ų | 163 | 54.8 Ų | 54.8 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -75.8 | -41.4 | 178.9 | -175.4 | 177.6 | 65.6 | -149.7 | 1.1 | 112.9 | S11 K12 G13 G21 | S11-R15 PolarHBondContact O-N 2.71Å; K12-R15 PolarHBondContact O-N 3.39Å; G13-R15 VanDerWaalsContact C-N 3.25Å; G13-R15 PolarHBondContact O-N 3.17Å; R15-G21 VanDerWaalsContact O-CA 3.28Å; R15-G21 WeakPolarHBondContact O-CA 3.47Å |
| 16 | E | 95.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -119.2 | -33.1 | -164.9 | -63.6 | 175 | -142.9 | 0 | 0 | 113.9 | K12 G13 R260 Q288 | K12-E16 WeakPolarHBondContact CE-OE2 3.28Å; K12-E16 IonicContact NZ-OE1 2.88Å; K12-E16 PolarHBondContact NZ-OE1 3.17Å; K12-E16 IonicContact NZ-OE2 3.67Å; K12-E16 PolarHBondContact NZ-OE2 3.14Å; K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 PolarHBondContact O-N 3.07Å; G13-E16 PolarHBondContact O-N 2.85Å; E16-R260 PolarHBondContact O-NH2 3.36Å; E16-Q288 PolarHBondContact OE2-NE2 2.76Å; E16-Q288 VanDerWaalsContact OE2-NE2 3.17Å |
| 17 | Y | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -12.5 | -170.5 | -53.9 | -14.5 | 0 | 0 | 0 | 113 | K12 G13 L184 H235 W238 R260 | K12-Y17 VanDerWaalsContact CD-OH 3.31Å; K12-Y17 WeakPolarHBondContact CD-OH 3.42Å; K12-Y17 WeakPolarHBondContact CE-OH 3.28Å; K12-Y17 HydrophobicContact CG-CE1 4.29Å; G13-Y17 VanDerWaalsContact CA-CG 3.44Å; G13-Y17 WeakPolarHBondContact O-CA 3.48Å; G13-Y17 WeakPolarHBondContact O-CB 3.43Å; G13-Y17 PolarHBondContact O-N 2.89Å; Y17-L184 WeakPolarHBondContact OH-CD1 3.41Å; Y17-H235 AromaticContact CD1-CD2 4Å; Y17-H235 AromaticContact CD1-NE2 3.29Å; Y17-H235 VanDerWaalsContact CD1-NE2 3.29Å; Y17-H235 WeakPolarHBondContact CD1-NE2 3.34Å; Y17-H235 AromaticContact CD2-NE2 3.68Å; Y17-H235 AromaticContact CE1-CD2 3.98Å; Y17-H235 AromaticContact CE1-NE2 3.61Å; Y17-H235 AromaticContact CE2-NE2 3.96Å; Y17-H235 AromaticContact CG-NE2 3.36Å; Y17-H235 AromaticContact CZ-NE2 3.91Å; Y17-W238 HydrophobicContact CD2-CD2 4.47Å; Y17-W238 AromaticContact CD2-CE2 3.81Å; Y17-W238 HydrophobicContact CD2-CZ2 4.1Å; Y17-W238 AromaticContact CD2-NE1 3.62Å; Y17-W238 PolarHBondContact O-N 3.17Å; Y17-R260 PolarHBondContact O-NE 3.39Å; Y17-R260 VanDerWaalsContact O-NE 3.08Å |
| 18 | T | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.7 | 172 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | G13 M14 S20 G21 Y22 W238 M255 K258 R260 | G13-T18 PolarHBondContact O-N 2.82Å; M14-T18 PolarHBondContact O-OG1 2.78Å; M14-T18 VanDerWaalsContact O-OG1 3.11Å; M14-T18 HydrophobicContact SD-CG2 4.49Å; T18-S20 PolarHBondContact OG1-OG 2.83Å; T18-G21 PolarHBondContact O-N 3.49Å; T18-G21 PolarHBondContact OG1-N 2.71Å; T18-Y22 PolarHBondContact O-N 2.79Å; T18-W238 HydrophobicContact CG2-CE3 3.94Å; T18-W238 HydrophobicContact CG2-CZ3 4.12Å; T18-M255 HydrophobicContact CG2-CE 4.17Å; T18-K258 CarbonylContact C-O 3.53Å; T18-K258 WeakPolarHBondContact CA-O 3.5Å; T18-K258 WeakPolarHBondContact CB-O 2.71Å; T18-K258 HydrophobicContact CG2-CB 4.1Å; T18-R260 PolarHBondContact O-NE 3.34Å |
| 19 | K | 96.6 | Very high | 95.2 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53 | -49 | 171.1 | -179.5 | 167.9 | -165.3 | -178.4 | 0 | 112.8 | G21 Y22 E23 K258 | K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.37Å; K19-Y22 WeakPolarHBondContact O-CB 3.49Å; K19-Y22 PolarHBondContact O-N 3.46Å; K19-E23 VanDerWaalsContact CE-OE1 3.23Å; K19-E23 WeakPolarHBondContact CE-OE1 3.47Å; K19-E23 WeakPolarHBondContact CG-OE1 3.19Å; K19-E23 WeakPolarHBondContact O-CG 3.4Å; K19-E23 PolarHBondContact O-N 3.36Å; K19-K258 PolarHBondContact N-O 3.14Å |
| 20 | S | 97 | Very high | 95.4 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.9 | 57 | 0 | 0 | 0 | 0 | 112.5 | T18 E23 S24 | T18-S20 PolarHBondContact OG1-OG 2.83Å; S20-E23 PolarHBondContact O-N 2.75Å; S20-S24 WeakPolarHBondContact O-CB 3.34Å; S20-S24 PolarHBondContact O-N 3.02Å |
| 21 | G | 97.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R15 T18 K19 A25 | R15-G21 VanDerWaalsContact O-CA 3.28Å; R15-G21 WeakPolarHBondContact O-CA 3.47Å; T18-G21 PolarHBondContact O-N 3.49Å; T18-G21 PolarHBondContact OG1-N 2.71Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.37Å; G21-A25 PolarHBondContact O-N 3.02Å; G21-A25 VanDerWaalsContact O-N 3.08Å |
| 22 | Y | 97.8 | Very high | 95.5 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 172.5 | 175.5 | -94.7 | 0 | 0 | 0 | 112.1 | T18 K19 S24 A25 A26 F29 Q264 D267 | T18-Y22 PolarHBondContact O-N 2.79Å; K19-Y22 WeakPolarHBondContact O-CB 3.49Å; K19-Y22 PolarHBondContact O-N 3.46Å; Y22-S24 VanDerWaalsContact C-N 3.27Å; Y22-S24 PolarHBondContact O-N 2.86Å; Y22-A25 CarbonylContact O-C 3.55Å; Y22-A25 WeakPolarHBondContact O-CA 3.49Å; Y22-A25 WeakPolarHBondContact O-CB 3.31Å; Y22-A25 PolarHBondContact O-N 3.03Å; Y22-A26 HydrophobicContact CD1-CB 4.3Å; Y22-A26 HydrophobicContact CE1-CB 3.87Å; Y22-A26 WeakPolarHBondContact O-CB 3.49Å; Y22-A26 PolarHBondContact O-N 3.24Å; Y22-F29 HydrophobicContact CE2-CE2 4.21Å; Y22-Q264 HydrophobicContact CD1-CB 3.85Å; Y22-Q264 HydrophobicContact CD1-CG 3.5Å; Y22-Q264 VanDerWaalsContact CD1-CG 3.5Å; Y22-Q264 HydrophobicContact CD2-CB 4.17Å; Y22-Q264 HydrophobicContact CE1-CB 4.02Å; Y22-Q264 HydrophobicContact CE1-CG 3.55Å; Y22-Q264 HydrophobicContact CE2-CB 4.32Å; Y22-Q264 HydrophobicContact CG-CB 3.92Å; Y22-Q264 HydrophobicContact CG-CG 4.09Å; Y22-D267 HydrophobicContact CE2-CB 3.71Å; Y22-D267 VanDerWaalsContact OH-CG 3.25Å; Y22-D267 PolarHBondContact OH-OD1 3.46Å |
| 23 | E | 97.5 | Very high | 95.6 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | -178.9 | -71.9 | 164.1 | 178 | 0 | 0 | 111.5 | K19 S20 A25 A26 S27 | K19-E23 VanDerWaalsContact CE-OE1 3.23Å; K19-E23 WeakPolarHBondContact CE-OE1 3.47Å; K19-E23 WeakPolarHBondContact CG-OE1 3.19Å; K19-E23 WeakPolarHBondContact O-CG 3.4Å; K19-E23 PolarHBondContact O-N 3.36Å; S20-E23 PolarHBondContact O-N 2.75Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.69Å; E23-A26 PolarHBondContact O-N 3.12Å; E23-S27 PolarHBondContact O-N 3.24Å; E23-S27 VanDerWaalsContact O-N 3.12Å |
| 24 | S | 97.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | S20 Y22 S27 R28 | S20-S24 WeakPolarHBondContact O-CB 3.34Å; S20-S24 PolarHBondContact O-N 3.02Å; Y22-S24 VanDerWaalsContact C-N 3.27Å; Y22-S24 PolarHBondContact O-N 2.86Å; S24-S27 PolarHBondContact O-OG 3.12Å; S24-R28 PolarHBondContact O-NH1 2.94Å |
| 25 | A | 97.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G21 Y22 E23 S27 R28 F29 D289 | G21-A25 PolarHBondContact O-N 3.02Å; G21-A25 VanDerWaalsContact O-N 3.08Å; Y22-A25 CarbonylContact O-C 3.55Å; Y22-A25 WeakPolarHBondContact O-CA 3.49Å; Y22-A25 WeakPolarHBondContact O-CB 3.31Å; Y22-A25 PolarHBondContact O-N 3.03Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.69Å; A25-S27 PolarHBondContact O-N 3.23Å; A25-R28 PolarHBondContact O-N 2.97Å; A25-F29 HydrophobicContact CB-CE1 4.31Å; A25-F29 HydrophobicContact CB-CZ 4.25Å; A25-F29 WeakPolarHBondContact O-CD1 3.37Å; A25-F29 VanDerWaalsContact O-CE1 3.32Å; A25-F29 WeakPolarHBondContact O-CE1 3.36Å; A25-D289 HydrophobicContact CB-CB 3.61Å |
| 26 | A | 96.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.6 | -27.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y22 E23 R28 F29 | Y22-A26 HydrophobicContact CD1-CB 4.3Å; Y22-A26 HydrophobicContact CE1-CB 3.87Å; Y22-A26 WeakPolarHBondContact O-CB 3.49Å; Y22-A26 PolarHBondContact O-N 3.24Å; E23-A26 PolarHBondContact O-N 3.12Å; A26-R28 PolarHBondContact O-N 2.89Å; A26-F29 HydrophobicContact CB-CD2 3.93Å; A26-F29 HydrophobicContact CB-CE2 3.85Å; A26-F29 HydrophobicContact CB-CZ 4.42Å; A26-F29 WeakPolarHBondContact O-CB 3.16Å; A26-F29 PolarHBondContact O-N 3.09Å |
| 27 | S | 96.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.1 | 172.7 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | E23 S24 A25 | E23-S27 PolarHBondContact O-N 3.24Å; E23-S27 VanDerWaalsContact O-N 3.12Å; S24-S27 PolarHBondContact O-OG 3.12Å; A25-S27 PolarHBondContact O-N 3.23Å |
| 28 | R | 95.7 | Very high | 95.9 | Very high | 153 Ų | 153 | 69.8 Ų | 69.8 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -0.4 | 179 | -62.3 | -176.9 | -68.7 | -80.7 | 3.8 | 113.6 | S24 A25 A26 | S24-R28 PolarHBondContact O-NH1 2.94Å; A25-R28 PolarHBondContact O-N 2.97Å; A26-R28 PolarHBondContact O-N 2.89Å |
| 29 | F | 96.1 | Very high | 95.9 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 16% | 0.158 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -76.4 | 139.1 | 179.6 | -60.8 | -10.2 | 0 | 0 | 0 | 109.5 | Y22 A25 A26 P31 D267 D289 R290 | Y22-F29 HydrophobicContact CE2-CE2 4.21Å; A25-F29 HydrophobicContact CB-CE1 4.31Å; A25-F29 HydrophobicContact CB-CZ 4.25Å; A25-F29 WeakPolarHBondContact O-CD1 3.37Å; A25-F29 VanDerWaalsContact O-CE1 3.32Å; A25-F29 WeakPolarHBondContact O-CE1 3.36Å; A26-F29 HydrophobicContact CB-CD2 3.93Å; A26-F29 HydrophobicContact CB-CE2 3.85Å; A26-F29 HydrophobicContact CB-CZ 4.42Å; A26-F29 WeakPolarHBondContact O-CB 3.16Å; A26-F29 PolarHBondContact O-N 3.09Å; F29-P31 VanDerWaalsContact O-CD 3.25Å; F29-P31 WeakPolarHBondContact O-CD 3.34Å; F29-D267 WeakPolarHBondContact CE2-OD2 3.36Å; F29-D289 VanDerWaalsContact CE1-O 3.25Å; F29-D289 WeakPolarHBondContact CE1-O 3.43Å; F29-D289 HydrophobicContact CZ-CB 4.16Å; F29-D289 WeakPolarHBondContact CZ-O 3.28Å; F29-R290 HydrophobicContact CD2-CG 4.41Å; F29-R290 HydrophobicContact CE1-CB 4.07Å; F29-R290 HydrophobicContact CE1-CG 4.18Å; F29-R290 HydrophobicContact CE2-CG 3.97Å; F29-R290 HydrophobicContact CZ-CB 4.19Å; F29-R290 HydrophobicContact CZ-CG 3.86Å |
| 30 | D | 94.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 70.1 Ų | 70.1 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | trans | -71.7 | 114.5 | 171.2 | 174 | 10.1 | 0 | 0 | 0 | 109 | N32 E33 | D30-N32 PolarHBondContact O-N 2.91Å; D30-N32 PolarHBondContact OD1-N 3.31Å; D30-E33 HydrophobicContact CB-CB 4.07Å; D30-E33 PolarHBondContact O-N 2.73Å | ||
| 31 | P | 90 | Very high | 95.8 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16 | -179.3 | 29.2 | -36 | 0 | 0 | 0 | 112.9 | F29 | F29-P31 VanDerWaalsContact O-CD 3.25Å; F29-P31 WeakPolarHBondContact O-CD 3.34Å |
| 32 | N | 94.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.4 | -179.9 | -61 | -68.2 | 0 | 0 | 0 | 113.7 | D30 L34 K35 | D30-N32 PolarHBondContact O-N 2.91Å; D30-N32 PolarHBondContact OD1-N 3.31Å; N32-L34 PolarHBondContact O-N 2.78Å; N32-L34 VanDerWaalsContact O-N 3.15Å; N32-K35 HydrophobicContact CB-CB 4.46Å; N32-K35 WeakPolarHBondContact O-CB 3.21Å; N32-K35 PolarHBondContact O-N 3.04Å |
| 33 | E | 94.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.2 | -173.5 | -176.8 | 176.9 | -143.8 | 0 | 0 | 112.7 | D30 W271 R280 | D30-E33 HydrophobicContact CB-CB 4.07Å; D30-E33 PolarHBondContact O-N 2.73Å; E33-W271 PolarHBondContact OE2-NE1 3.36Å; E33-R280 IonicContact OE1-CZ 3.45Å; E33-R280 IonicContact OE1-NH1 3.32Å; E33-R280 PolarHBondContact OE1-NH1 3.3Å; E33-R280 IonicContact OE1-NH2 2.68Å; E33-R280 PolarHBondContact OE1-NH2 3.4Å |
| 34 | L | 95 | Very high | 95.8 | Very high | 28 Ų | 28 | 70.9 Ų | 70.9 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 3.8 | 179.9 | -54.4 | -176 | 0 | 0 | 0 | 112.9 | N32 N36 V37 W271 L274 | N32-L34 PolarHBondContact O-N 2.78Å; N32-L34 VanDerWaalsContact O-N 3.15Å; L34-N36 PolarHBondContact O-N 2.94Å; L34-V37 WeakPolarHBondContact O-CB 3.22Å; L34-V37 PolarHBondContact O-N 2.77Å; L34-W271 HydrophobicContact CD1-CB 4.48Å; L34-L274 HydrophobicContact CD1-CB 4.31Å; L34-L274 HydrophobicContact CD1-CD1 4.04Å; L34-L274 HydrophobicContact CD2-CB 3.86Å |
| 35 | K | 92.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 130.4 | -179 | -171.2 | 178.4 | -175.4 | 178.2 | 0 | 109.4 | N32 V37 | N32-K35 HydrophobicContact CB-CB 4.46Å; N32-K35 WeakPolarHBondContact O-CB 3.21Å; N32-K35 PolarHBondContact O-N 3.04Å; K35-V37 PolarHBondContact O-N 2.91Å; K35-V37 VanDerWaalsContact O-N 3.09Å |
| 36 | N | 93.8 | Very high | 96 | Very high | 141 Ų | 141 | 67.4 Ų | 67.4 | 75% | 0.754 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 8 | -178.3 | -49.8 | -34.4 | 0 | 0 | 0 | 115.5 | L34 R38 | L34-N36 PolarHBondContact O-N 2.94Å; N36-R38 PolarHBondContact O-N 3.47Å |
| 37 | V | 97.2 | Very high | 96 | Very high | 24 Ų | 24 | 66 Ų | 66 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | trans | -64.8 | 131 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 108 | L34 K35 H64 L274 P276 | L34-V37 WeakPolarHBondContact O-CB 3.22Å; L34-V37 PolarHBondContact O-N 2.77Å; K35-V37 PolarHBondContact O-N 2.91Å; K35-V37 VanDerWaalsContact O-N 3.09Å; V37-H64 PolarHBondContact O-CE1 3.47Å; V37-H64 PolarHBondContact O-ND1 2.76Å; V37-L274 HydrophobicContact CG1-CB 4.25Å; V37-L274 HydrophobicContact CG1-CD2 4.06Å; V37-L274 VanDerWaalsContact CG1-O 3.28Å; V37-L274 WeakPolarHBondContact CG1-O 3.39Å; V37-P276 HydrophobicContact CG2-CG 3.87Å | ||
| 38 | R | 97.6 | Very high | 96.1 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | trans | -123.1 | 146.8 | 177.3 | -64.2 | -60.7 | -64 | 170.3 | 2.2 | 110.3 | N36 D40 K63 H64 G65 | N36-R38 PolarHBondContact O-N 3.47Å; R38-D40 VanDerWaalsContact CB-OD2 3.28Å; R38-D40 WeakPolarHBondContact CB-OD2 3.27Å; R38-D40 IonicContact CZ-OD1 3.81Å; R38-D40 IonicContact CZ-OD2 3.14Å; R38-D40 IonicContact NE-OD1 3.45Å; R38-D40 IonicContact NE-OD2 3.78Å; R38-D40 PolarHBondContact NE-OD2 2.64Å; R38-D40 IonicContact NH2-OD1 2.76Å; R38-D40 PolarHBondContact NH2-OD1 3.03Å; R38-D40 IonicContact NH2-OD2 3.6Å; R38-K63 PolarHBondContact NH1-O 3.44Å; R38-H64 VanDerWaalsContact CZ-C 3.43Å; R38-H64 PolarHBondContact NE-O 2.99Å; R38-H64 PolarHBondContact NH2-O 2.58Å; R38-G65 VanDerWaalsContact NH2-CA 3.28Å | ||
| 39 | L | 97.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | -113.8 | 22.8 | 172.8 | -66.3 | -178.2 | 0 | 0 | 0 | 110.7 | N41 R42 V44 L61 H64 A66 I126 L274 | L39-N41 PolarHBondContact O-N 3.25Å; L39-R42 HydrophobicContact CB-CB 4.08Å; L39-R42 HydrophobicContact CB-CG 4.22Å; L39-R42 HydrophobicContact CD2-CB 4.43Å; L39-R42 HydrophobicContact CD2-CG 4.11Å; L39-R42 WeakPolarHBondContact O-CA 3.48Å; L39-R42 WeakPolarHBondContact O-CB 3.21Å; L39-R42 WeakPolarHBondContact O-CG 3.49Å; L39-R42 PolarHBondContact O-N 2.86Å; L39-V44 HydrophobicContact CD1-CG2 4.4Å; L39-L61 HydrophobicContact CD1-CB 4.33Å; L39-L61 HydrophobicContact CD1-CD2 3.73Å; L39-H64 HydrophobicContact CB-CB 4.41Å; L39-H64 HydrophobicContact CD1-CB 4.37Å; L39-H64 HydrophobicContact CG-CB 4.26Å; L39-H64 PolarHBondContact N-O 3.03Å; L39-A66 HydrophobicContact CB-CB 3.77Å; L39-A66 HydrophobicContact CD1-CB 4Å; L39-A66 WeakPolarHBondContact O-CA 3.4Å; L39-I126 HydrophobicContact CD1-CD1 4.34Å; L39-I126 HydrophobicContact CD2-CD1 4.25Å; L39-L274 HydrophobicContact CD1-CD2 3.55Å; L39-L274 HydrophobicContact CD2-CD2 4.31Å; L39-L274 HydrophobicContact CG-CD2 3.71Å | ||
| 40 | D | 96.5 | Very high | 96.2 | Very high | 80 Ų | 80 | 55 Ų | 55 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.1 | 177.2 | -60.3 | -57.3 | 0 | 0 | 0 | 110.1 | R38 R42 G65 | R38-D40 VanDerWaalsContact CB-OD2 3.28Å; R38-D40 WeakPolarHBondContact CB-OD2 3.27Å; R38-D40 IonicContact CZ-OD1 3.81Å; R38-D40 IonicContact CZ-OD2 3.14Å; R38-D40 IonicContact NE-OD1 3.45Å; R38-D40 IonicContact NE-OD2 3.78Å; R38-D40 PolarHBondContact NE-OD2 2.64Å; R38-D40 IonicContact NH2-OD1 2.76Å; R38-D40 PolarHBondContact NH2-OD1 3.03Å; R38-D40 IonicContact NH2-OD2 3.6Å; D40-R42 PolarHBondContact O-N 2.88Å; D40-R42 VanDerWaalsContact O-N 3.17Å; D40-G65 WeakPolarHBondContact OD1-CA 3.28Å |
| 41 | N | 95 | Very high | 96.3 | Very high | 138 Ų | 138 | 53.7 Ų | 53.7 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 4.3 | -172 | -51.8 | -60.5 | 0 | 0 | 0 | 115.7 | L39 R123 | L39-N41 PolarHBondContact O-N 3.25Å; N41-R123 VanDerWaalsContact O-CZ 3.31Å; N41-R123 PolarHBondContact O-NH2 2.98Å |
| 42 | R | 97.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | trans | -88.5 | 136.9 | 176.1 | -60.2 | -89.8 | -60 | -142.6 | 12.7 | 110.5 | L39 D40 E67 D125 D172 | L39-R42 HydrophobicContact CB-CB 4.08Å; L39-R42 HydrophobicContact CB-CG 4.22Å; L39-R42 HydrophobicContact CD2-CB 4.43Å; L39-R42 HydrophobicContact CD2-CG 4.11Å; L39-R42 WeakPolarHBondContact O-CA 3.48Å; L39-R42 WeakPolarHBondContact O-CB 3.21Å; L39-R42 WeakPolarHBondContact O-CG 3.49Å; L39-R42 PolarHBondContact O-N 2.86Å; D40-R42 PolarHBondContact O-N 2.88Å; D40-R42 VanDerWaalsContact O-N 3.17Å; R42-E67 PolarHBondContact O-N 3.42Å; R42-D125 WeakPolarHBondContact CA-OD2 3.29Å; R42-D125 HydrophobicContact CB-CB 4.28Å; R42-D125 IonicContact NE-OD1 2.93Å; R42-D125 PolarHBondContact NH2-O 2.94Å; R42-D172 IonicContact CZ-OD2 3.71Å; R42-D172 IonicContact NH1-OD2 3.39Å; R42-D172 PolarHBondContact NH1-OD2 2.79Å; R42-D172 PolarHBondContact NH2-O 2.81Å; R42-D172 IonicContact NH2-OD2 2.68Å; R42-D172 PolarHBondContact NH2-OD2 3.36Å | ||
| 43 | R | 97.7 | Very high | 96.7 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.8 | 174.6 | -71.1 | -177.4 | 171.9 | 151.4 | 9.5 | 111.3 | E67 D121 R123 L124 D125 I126 | R43-E67 WeakPolarHBondContact CA-O 3.18Å; R43-E67 WeakPolarHBondContact CD-OE1 3.49Å; R43-E67 HydrophobicContact CG-CB 4.15Å; R43-E67 HydrophobicContact CG-CG 4.37Å; R43-E67 IonicContact CZ-OE1 3.63Å; R43-E67 IonicContact NE-OE1 3.67Å; R43-E67 PolarHBondContact NE-OE1 3.01Å; R43-E67 IonicContact NE-OE2 3.61Å; R43-E67 IonicContact NH2-OE1 2.83Å; R43-D121 PolarHBondContact NH1-O 3.45Å; R43-R123 VanDerWaalsContact CD-O 3.31Å; R43-R123 WeakPolarHBondContact CD-O 3.32Å; R43-L124 HydrophobicContact CB-CD1 4.43Å; R43-D125 PolarHBondContact N-OD2 3.03Å; R43-D125 WeakPolarHBondContact O-CB 2.89Å; R43-D125 PolarHBondContact O-N 3.43Å; R43-I126 PolarHBondContact O-N 3.48Å; R43-I126 VanDerWaalsContact O-N 3.07Å |
| 44 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.6 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L39 V46 L61 A66 E67 I68 H69 I126 I128 | L39-V44 HydrophobicContact CD1-CG2 4.4Å; V44-V46 HydrophobicContact CG1-CG2 3.87Å; V44-L61 HydrophobicContact CG1-CD1 3.78Å; V44-A66 HydrophobicContact CB-CB 4.49Å; V44-A66 HydrophobicContact CG2-CB 3.66Å; V44-E67 PolarHBondContact N-O 2.83Å; V44-I68 HydrophobicContact CB-CD1 3.95Å; V44-I68 HydrophobicContact CG1-CD1 4.43Å; V44-I68 HydrophobicContact CG2-CD1 4.37Å; V44-I68 CarbonylContact O-C 3.49Å; V44-I68 WeakPolarHBondContact O-CA 3.44Å; V44-H69 PolarHBondContact O-N 3.03Å; V44-I126 CarbonylContact C-O 3.55Å; V44-I126 WeakPolarHBondContact CA-O 3.42Å; V44-I126 HydrophobicContact CB-CB 4.33Å; V44-I126 HydrophobicContact CG1-CB 4.07Å; V44-I126 HydrophobicContact CG1-CG2 4.11Å; V44-I126 HydrophobicContact CG2-CB 4Å; V44-I126 HydrophobicContact CG2-CD1 4.06Å; V44-I126 HydrophobicContact CG2-CG1 4.25Å; V44-I128 HydrophobicContact CG1-CD1 4.42Å |
| 45 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.2 | 172.7 | -171 | 148.7 | 0 | 0 | 0 | 110 | T47 H69 V71 F112 F116 L124 I126 L127 I128 L159 L163 | L45-T47 HydrophobicContact CD2-CG2 3.95Å; L45-H69 WeakPolarHBondContact CA-O 3.38Å; L45-H69 HydrophobicContact CB-CB 4.16Å; L45-H69 HydrophobicContact CD1-CB 4.28Å; L45-H69 HydrophobicContact CG-CB 4.13Å; L45-V71 HydrophobicContact CD1-CG2 3.88Å; L45-V71 HydrophobicContact CD2-CB 4.36Å; L45-V71 HydrophobicContact CD2-CG2 3.69Å; L45-V71 HydrophobicContact CG-CG2 3.81Å; L45-F112 HydrophobicContact CD1-CE1 3.79Å; L45-F112 HydrophobicContact CD1-CZ 3.74Å; L45-F116 HydrophobicContact CD1-CD2 4.33Å; L45-F116 HydrophobicContact CD1-CE2 4.14Å; L45-L124 HydrophobicContact CB-CD1 3.71Å; L45-L124 HydrophobicContact CB-CD2 4.21Å; L45-I126 PolarHBondContact N-O 3.3Å; L45-L127 HydrophobicContact CB-CD1 4.2Å; L45-L127 HydrophobicContact CD2-CD1 3.33Å; L45-L127 HydrophobicContact CG-CD1 4.33Å; L45-I128 PolarHBondContact O-N 3.39Å; L45-L159 HydrophobicContact CD2-CD2 4.42Å; L45-L163 HydrophobicContact CD1-CD1 4.2Å |
| 46 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.5 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | V44 A49 H69 V71 I128 N130 | V44-V46 HydrophobicContact CG1-CG2 3.87Å; V46-A49 HydrophobicContact CB-CB 4.12Å; V46-A49 HydrophobicContact CG1-CB 4.18Å; V46-A49 WeakPolarHBondContact O-CB 3.33Å; V46-H69 PolarHBondContact N-O 2.63Å; V46-V71 PolarHBondContact O-N 3.48Å; V46-I128 HydrophobicContact CG1-CB 4.24Å; V46-I128 HydrophobicContact CG1-CG2 4.41Å; V46-I128 HydrophobicContact CG2-CB 4.2Å; V46-I128 HydrophobicContact CG2-CD1 4.18Å; V46-I128 HydrophobicContact CG2-CG1 4.42Å; V46-N130 HydrophobicContact CG1-CB 4.48Å |
| 47 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.8 | 174.2 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | L45 A49 V71 L103 I128 N130 A131 L159 | L45-T47 HydrophobicContact CD2-CG2 3.95Å; T47-A49 VanDerWaalsContact C-N 3.3Å; T47-V71 CarbonylContact C-O 3.56Å; T47-V71 HydrophobicContact CG2-CB 4.11Å; T47-V71 HydrophobicContact CG2-CG1 4.07Å; T47-L103 HydrophobicContact CG2-CD1 4.28Å; T47-I128 PolarHBondContact N-O 3.35Å; T47-I128 VanDerWaalsContact N-O 3.07Å; T47-I128 PolarHBondContact OG1-O 3.44Å; T47-N130 VanDerWaalsContact O-CB 3.31Å; T47-N130 WeakPolarHBondContact O-CB 3.27Å; T47-N130 PolarHBondContact O-ND2 3.18Å; T47-N130 PolarHBondContact OG1-N 2.89Å; T47-A131 PolarHBondContact O-N 2.79Å; T47-A131 VanDerWaalsContact O-N 3.11Å; T47-A131 WeakPolarHBondContact OG1-CB 3.2Å; T47-A131 PolarHBondContact OG1-N 2.86Å; T47-L159 HydrophobicContact CG2-CD2 3.41Å; T47-L159 VanDerWaalsContact CG2-CD2 3.41Å |
| 48 | G | 97.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 38 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N50 V71 N130 | G48-N50 VanDerWaalsContact C-N 3.26Å; G48-N50 PolarHBondContact O-N 3.36Å; G48-V71 PolarHBondContact N-O 2.86Å; G48-N130 PolarHBondContact O-ND2 3Å |
| 49 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -8.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V46 T47 L55 C58 M70 | V46-A49 HydrophobicContact CB-CB 4.12Å; V46-A49 HydrophobicContact CG1-CB 4.18Å; V46-A49 WeakPolarHBondContact O-CB 3.33Å; T47-A49 VanDerWaalsContact C-N 3.3Å; A49-L55 VanDerWaalsContact O-CA 3.23Å; A49-L55 WeakPolarHBondContact O-CA 3.31Å; A49-L55 WeakPolarHBondContact O-CB 3.46Å; A49-L55 PolarHBondContact O-N 2.93Å; A49-C58 VanDerWaalsContact CB-SG 3.54Å; A49-M70 HydrophobicContact CB-CB 3.73Å; A49-M70 HydrophobicContact CB-CE 3.9Å; A49-M70 HydrophobicContact CB-CG 3.91Å; A49-M70 WeakPolarHBondContact O-CE 3.39Å |
| 50 | N | 96.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 19% | 0.187 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.4 | -173.6 | 72.2 | -79 | 0 | 0 | 0 | 114.7 | G48 C72 R77 A81 | G48-N50 VanDerWaalsContact C-N 3.26Å; G48-N50 PolarHBondContact O-N 3.36Å; N50-C72 HydrophobicContact CB-CB 4.37Å; N50-C72 PolarHBondContact N-SG 3.24Å; N50-R77 HydrophobicContact CB-CB 4.48Å; N50-A81 HydrophobicContact CB-CB 3.98Å |
| 51 | S | 95.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 39% | 0.385 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -158.8 | 163.2 | 179.1 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | I53 G54 L55 | S51-I53 PolarHBondContact O-N 2.85Å; S51-G54 PolarHBondContact O-N 3.5Å; S51-L55 PolarHBondContact O-N 3.48Å |
| 52 | G | 95.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 16.2 Ų | 16.2 | 16% | 0.155 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | 52.4 | -134.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G54 L55 V56 | G52-G54 VanDerWaalsContact C-N 3.31Å; G52-G54 PolarHBondContact O-N 3.14Å; G52-L55 PolarHBondContact O-N 3.35Å; G52-V56 PolarHBondContact O-N 3.15Å |
| 53 | I | 97.1 | Very high | 97.9 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 8% | 0.082 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.7 | -44.2 | -178 | -66.6 | 164.4 | 0 | 0 | 0 | 111.8 | S51 L55 V56 C57 N130 P236 A239 A266 | S51-I53 PolarHBondContact O-N 2.85Å; I53-L55 VanDerWaalsContact C-N 3.35Å; I53-L55 PolarHBondContact O-N 3.5Å; I53-V56 PolarHBondContact O-N 2.97Å; I53-C57 PolarHBondContact O-N 3.44Å; I53-C57 PolarHBondContact O-SG 3.24Å; I53-N130 WeakPolarHBondContact CG2-OD1 3.45Å; I53-P236 HydrophobicContact CD1-CB 3.52Å; I53-P236 HydrophobicContact CD1-CG 3.76Å; I53-A239 HydrophobicContact CD1-CB 4.12Å; I53-A266 HydrophobicContact CG2-CB 3.98Å |
| 54 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S51 G52 C57 C58 N130 | S51-G54 PolarHBondContact O-N 3.5Å; G52-G54 VanDerWaalsContact C-N 3.31Å; G52-G54 PolarHBondContact O-N 3.14Å; G54-C57 PolarHBondContact O-N 3.01Å; G54-C58 PolarHBondContact O-N 3.34Å; G54-C58 PolarHBondContact O-SG 3.27Å; G54-N130 WeakPolarHBondContact CA-ND2 3.44Å; G54-N130 PolarHBondContact N-ND2 2.81Å |
| 55 | L | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 18.3 Ų | 18.3 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 176.3 | 177.3 | 56.7 | 0 | 0 | 0 | 111.8 | A49 S51 G52 I53 C57 C58 K59 A81 I85 | A49-L55 VanDerWaalsContact O-CA 3.23Å; A49-L55 WeakPolarHBondContact O-CA 3.31Å; A49-L55 WeakPolarHBondContact O-CB 3.46Å; A49-L55 PolarHBondContact O-N 2.93Å; S51-L55 PolarHBondContact O-N 3.48Å; G52-L55 PolarHBondContact O-N 3.35Å; I53-L55 VanDerWaalsContact C-N 3.35Å; I53-L55 PolarHBondContact O-N 3.5Å; L55-C57 VanDerWaalsContact C-N 3.35Å; L55-C57 PolarHBondContact O-N 3.17Å; L55-C58 WeakPolarHBondContact O-CB 3.47Å; L55-C58 PolarHBondContact O-N 3.3Å; L55-K59 HydrophobicContact CD1-CG 4.41Å; L55-K59 WeakPolarHBondContact O-CG 3.32Å; L55-K59 PolarHBondContact O-N 2.97Å; L55-A81 HydrophobicContact CD1-CB 3.97Å; L55-I85 HydrophobicContact CD1-CD1 3.82Å; L55-I85 HydrophobicContact CD1-CG1 3.73Å |
| 56 | V | 98.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 7% | 0.073 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.7 | -179 | 0 | 0 | 0 | 0 | 110.7 | G52 I53 C58 K59 E60 P262 E263 A266 I270 | G52-V56 PolarHBondContact O-N 3.15Å; I53-V56 PolarHBondContact O-N 2.97Å; V56-C58 VanDerWaalsContact C-N 3.26Å; V56-C58 PolarHBondContact O-N 2.81Å; V56-K59 PolarHBondContact O-N 3.24Å; V56-K59 VanDerWaalsContact O-N 3.17Å; V56-E60 HydrophobicContact CG1-CG 4.19Å; V56-E60 PolarHBondContact O-N 2.94Å; V56-P262 HydrophobicContact CG2-CB 3.78Å; V56-E263 HydrophobicContact CG1-CB 4.39Å; V56-E263 HydrophobicContact CG1-CG 4.1Å; V56-E263 HydrophobicContact CG2-CG 4.28Å; V56-A266 HydrophobicContact CB-CB 3.84Å; V56-A266 HydrophobicContact CG1-CB 3.8Å; V56-I270 HydrophobicContact CG1-CD1 4.02Å |
| 57 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54 | -45.2 | 175.1 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | I53 G54 L55 L61 I128 I270 | I53-C57 PolarHBondContact O-N 3.44Å; I53-C57 PolarHBondContact O-SG 3.24Å; G54-C57 PolarHBondContact O-N 3.01Å; L55-C57 VanDerWaalsContact C-N 3.35Å; L55-C57 PolarHBondContact O-N 3.17Å; C57-L61 VanDerWaalsContact O-CB 3.28Å; C57-L61 WeakPolarHBondContact O-CB 3.39Å; C57-L61 WeakPolarHBondContact O-CD1 3.4Å; C57-L61 WeakPolarHBondContact O-CG 3.46Å; C57-L61 PolarHBondContact O-N 3.24Å; C57-I128 HydrophobicContact CB-CD1 4.27Å; C57-I270 HydrophobicContact CB-CG1 4.36Å |
| 58 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 178.1 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | A49 G54 L55 V56 A62 I68 I85 | A49-C58 VanDerWaalsContact CB-SG 3.54Å; G54-C58 PolarHBondContact O-N 3.34Å; G54-C58 PolarHBondContact O-SG 3.27Å; L55-C58 WeakPolarHBondContact O-CB 3.47Å; L55-C58 PolarHBondContact O-N 3.3Å; V56-C58 VanDerWaalsContact C-N 3.26Å; V56-C58 PolarHBondContact O-N 2.81Å; C58-A62 WeakPolarHBondContact O-CB 3.45Å; C58-A62 PolarHBondContact O-N 3.15Å; C58-I68 HydrophobicContact CB-CG2 3.92Å; C58-I85 HydrophobicContact CB-CD1 3.6Å; C58-I85 HydrophobicContact CB-CG1 4.36Å |
| 59 | K | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 10% | 0.096 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -51.9 | 178.7 | -70.7 | 177.6 | 179.9 | -176.8 | 0 | 111.8 | L55 V56 A62 K63 I85 E88 T89 | L55-K59 HydrophobicContact CD1-CG 4.41Å; L55-K59 WeakPolarHBondContact O-CG 3.32Å; L55-K59 PolarHBondContact O-N 2.97Å; V56-K59 PolarHBondContact O-N 3.24Å; V56-K59 VanDerWaalsContact O-N 3.17Å; K59-A62 PolarHBondContact O-N 3.36Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.85Å; K59-K63 VanDerWaalsContact O-N 3.09Å; K59-I85 HydrophobicContact CG-CB 4.39Å; K59-I85 HydrophobicContact CG-CG1 3.68Å; K59-E88 WeakPolarHBondContact CD-OE2 3.44Å; K59-E88 WeakPolarHBondContact CE-OE2 3.34Å; K59-E88 IonicContact NZ-OE1 3.88Å; K59-E88 PolarHBondContact NZ-OE1 3.39Å; K59-E88 IonicContact NZ-OE2 3.5Å; K59-E88 PolarHBondContact NZ-OE2 2.83Å; K59-T89 HydrophobicContact CB-CG2 4.27Å |
| 60 | E | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 20.1 Ų | 20.1 | 27% | 0.271 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -67 | -45.2 | -176.8 | -67.1 | -53.3 | 127.7 | 0 | 0 | 111.3 | V56 A62 K63 H64 I270 | V56-E60 HydrophobicContact CG1-CG 4.19Å; V56-E60 PolarHBondContact O-N 2.94Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 3.42Å; E60-K63 WeakPolarHBondContact O-CB 3.48Å; E60-K63 PolarHBondContact O-N 3.21Å; E60-K63 VanDerWaalsContact O-N 3.15Å; E60-K63 IonicContact OE1-NZ 2.79Å; E60-K63 PolarHBondContact OE1-NZ 3.19Å; E60-K63 IonicContact OE2-NZ 3.32Å; E60-H64 PolarHBondContact O-CD2 3.41Å; E60-H64 VanDerWaalsContact O-CD2 3.27Å; E60-H64 PolarHBondContact O-N 3.39Å; E60-I270 HydrophobicContact CB-CD1 3.81Å; E60-I270 HydrophobicContact CB-CG1 4.23Å; E60-I270 HydrophobicContact CB-CG2 4.09Å; E60-I270 HydrophobicContact CG-CD1 3.8Å |
| 61 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.3 | -32.6 | 179.7 | -60.7 | 172.5 | 0 | 0 | 0 | 112.3 | L39 V44 C57 H64 G65 A66 I68 I128 I270 A273 L274 | L39-L61 HydrophobicContact CD1-CB 4.33Å; L39-L61 HydrophobicContact CD1-CD2 3.73Å; V44-L61 HydrophobicContact CG1-CD1 3.78Å; C57-L61 VanDerWaalsContact O-CB 3.28Å; C57-L61 WeakPolarHBondContact O-CB 3.39Å; C57-L61 WeakPolarHBondContact O-CD1 3.4Å; C57-L61 WeakPolarHBondContact O-CG 3.46Å; C57-L61 PolarHBondContact O-N 3.24Å; L61-H64 WeakPolarHBondContact O-CB 3.46Å; L61-H64 PolarHBondContact O-N 3.23Å; L61-G65 PolarHBondContact O-N 2.96Å; L61-A66 HydrophobicContact CB-CB 4.42Å; L61-A66 VanDerWaalsContact O-CB 3.31Å; L61-A66 WeakPolarHBondContact O-CB 3.43Å; L61-A66 PolarHBondContact O-N 2.97Å; L61-I68 HydrophobicContact CB-CD1 3.84Å; L61-I128 HydrophobicContact CD1-CD1 3.58Å; L61-I270 HydrophobicContact CD2-CG2 4.4Å; L61-A273 HydrophobicContact CD1-CB 4.03Å; L61-A273 HydrophobicContact CD2-CB 3.69Å; L61-L274 HydrophobicContact CD2-CD1 4.29Å; L61-L274 HydrophobicContact CD2-CD2 3.96Å; L61-L274 HydrophobicContact CD2-CG 3.81Å |
| 62 | A | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.017 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C58 K59 E60 H64 G65 I68 I85 V91 I96 | C58-A62 WeakPolarHBondContact O-CB 3.45Å; C58-A62 PolarHBondContact O-N 3.15Å; K59-A62 PolarHBondContact O-N 3.36Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 3.42Å; A62-H64 PolarHBondContact O-N 2.68Å; A62-G65 WeakPolarHBondContact O-CA 3.25Å; A62-G65 PolarHBondContact O-N 3.08Å; A62-I68 HydrophobicContact CB-CG1 3.94Å; A62-I85 HydrophobicContact CB-CG2 4.05Å; A62-V91 HydrophobicContact CB-CG1 4.18Å; A62-V91 HydrophobicContact CB-CG2 4.35Å; A62-V91 WeakPolarHBondContact O-CG1 3.32Å; A62-I96 HydrophobicContact CB-CD1 3.98Å |
| 63 | K | 97.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 23.5 Ų | 23.5 | 40% | 0.4 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -57.9 | -32.1 | 173.6 | -69.3 | 171.7 | -174.6 | 172.8 | 0 | 112 | R38 K59 E60 G65 T89 | R38-K63 PolarHBondContact NH1-O 3.44Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.85Å; K59-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 WeakPolarHBondContact O-CB 3.48Å; E60-K63 PolarHBondContact O-N 3.21Å; E60-K63 VanDerWaalsContact O-N 3.15Å; E60-K63 IonicContact OE1-NZ 2.79Å; E60-K63 PolarHBondContact OE1-NZ 3.19Å; E60-K63 IonicContact OE2-NZ 3.32Å; K63-G65 PolarHBondContact O-N 3.32Å; K63-T89 HydrophobicContact CD-CG2 4.34Å; K63-T89 HydrophobicContact CG-CG2 3.67Å |
| 64 | H | 97.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 24.5 Ų | 24.5 | 17% | 0.171 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.4 | 174 | -77.7 | -94.4 | 0 | 0 | 0 | 114.1 | V37 R38 L39 E60 L61 A62 L274 | V37-H64 PolarHBondContact O-CE1 3.47Å; V37-H64 PolarHBondContact O-ND1 2.76Å; R38-H64 VanDerWaalsContact CZ-C 3.43Å; R38-H64 PolarHBondContact NE-O 2.99Å; R38-H64 PolarHBondContact NH2-O 2.58Å; L39-H64 HydrophobicContact CB-CB 4.41Å; L39-H64 HydrophobicContact CD1-CB 4.37Å; L39-H64 HydrophobicContact CG-CB 4.26Å; L39-H64 PolarHBondContact N-O 3.03Å; E60-H64 PolarHBondContact O-CD2 3.41Å; E60-H64 VanDerWaalsContact O-CD2 3.27Å; E60-H64 PolarHBondContact O-N 3.39Å; L61-H64 WeakPolarHBondContact O-CB 3.46Å; L61-H64 PolarHBondContact O-N 3.23Å; A62-H64 PolarHBondContact O-N 2.68Å; H64-L274 HydrophobicContact CB-CD2 3.8Å |
| 65 | G | 97.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 31 Ų | 31 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 6.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R38 D40 L61 A62 K63 | R38-G65 VanDerWaalsContact NH2-CA 3.28Å; D40-G65 WeakPolarHBondContact OD1-CA 3.28Å; L61-G65 PolarHBondContact O-N 2.96Å; A62-G65 WeakPolarHBondContact O-CA 3.25Å; A62-G65 PolarHBondContact O-N 3.08Å; K63-G65 PolarHBondContact O-N 3.32Å |
| 66 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -67.5 | 146.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L39 V44 L61 I68 | L39-A66 HydrophobicContact CB-CB 3.77Å; L39-A66 HydrophobicContact CD1-CB 4Å; L39-A66 WeakPolarHBondContact O-CA 3.4Å; V44-A66 HydrophobicContact CB-CB 4.49Å; V44-A66 HydrophobicContact CG2-CB 3.66Å; L61-A66 HydrophobicContact CB-CB 4.42Å; L61-A66 VanDerWaalsContact O-CB 3.31Å; L61-A66 WeakPolarHBondContact O-CB 3.43Å; L61-A66 PolarHBondContact O-N 2.97Å; A66-I68 HydrophobicContact CB-CD1 3.63Å | ||
| 67 | E | 98 | Very high | 98.1 | Very high | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.4 | 160.5 | -176.1 | 178.9 | 118.6 | 0 | 0 | 108.4 | R42 R43 V44 H69 L95 I97 | R42-E67 PolarHBondContact O-N 3.42Å; R43-E67 WeakPolarHBondContact CA-O 3.18Å; R43-E67 WeakPolarHBondContact CD-OE1 3.49Å; R43-E67 HydrophobicContact CG-CB 4.15Å; R43-E67 HydrophobicContact CG-CG 4.37Å; R43-E67 IonicContact CZ-OE1 3.63Å; R43-E67 IonicContact NE-OE1 3.67Å; R43-E67 PolarHBondContact NE-OE1 3.01Å; R43-E67 IonicContact NE-OE2 3.61Å; R43-E67 IonicContact NH2-OE1 2.83Å; V44-E67 PolarHBondContact N-O 2.83Å; E67-H69 IonicContact OE1-CE1 3.79Å; E67-H69 PolarHBondContact OE1-CE1 2.98Å; E67-H69 IonicContact OE1-NE2 2.71Å; E67-H69 PolarHBondContact OE1-NE2 2.98Å; E67-L95 CarbonylContact C-O 3.58Å; E67-L95 WeakPolarHBondContact CA-O 3.48Å; E67-L95 HydrophobicContact CB-CD2 4.26Å; E67-I97 HydrophobicContact CG-CD1 3.35Å |
| 68 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.6 | -174.6 | -53.5 | -55.8 | 0 | 0 | 0 | 110.5 | V44 C58 L61 A62 A66 M70 L95 I96 I97 | V44-I68 HydrophobicContact CB-CD1 3.95Å; V44-I68 HydrophobicContact CG1-CD1 4.43Å; V44-I68 HydrophobicContact CG2-CD1 4.37Å; V44-I68 CarbonylContact O-C 3.49Å; V44-I68 WeakPolarHBondContact O-CA 3.44Å; C58-I68 HydrophobicContact CB-CG2 3.92Å; L61-I68 HydrophobicContact CB-CD1 3.84Å; A62-I68 HydrophobicContact CB-CG1 3.94Å; A66-I68 HydrophobicContact CB-CD1 3.63Å; I68-M70 HydrophobicContact CG2-CG 3.86Å; I68-L95 PolarHBondContact N-O 3.25Å; I68-I96 HydrophobicContact CB-CD1 3.86Å; I68-I96 HydrophobicContact CG1-CD1 3.85Å; I68-I97 PolarHBondContact O-N 3.48Å |
| 69 | H | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 103.1 | 169.3 | -62 | -103 | 0 | 0 | 0 | 109.4 | V44 L45 V46 E67 V71 I97 H99 F116 | V44-H69 PolarHBondContact O-N 3.03Å; L45-H69 WeakPolarHBondContact CA-O 3.38Å; L45-H69 HydrophobicContact CB-CB 4.16Å; L45-H69 HydrophobicContact CD1-CB 4.28Å; L45-H69 HydrophobicContact CG-CB 4.13Å; V46-H69 PolarHBondContact N-O 2.63Å; E67-H69 IonicContact OE1-CE1 3.79Å; E67-H69 PolarHBondContact OE1-CE1 2.98Å; E67-H69 IonicContact OE1-NE2 2.71Å; E67-H69 PolarHBondContact OE1-NE2 2.98Å; H69-V71 PolarHBondContact O-N 2.84Å; H69-I97 CarbonylContact C-O 3.5Å; H69-I97 WeakPolarHBondContact CA-O 3.37Å; H69-H99 AromaticContact CG-NE2 3.69Å; H69-H99 AromaticContact ND1-CE1 3.82Å; H69-H99 AromaticContact ND1-NE2 3.06Å; H69-H99 PolarHBondContact ND1-NE2 3.19Å; H69-F116 AromaticContact CE1-CE2 3.73Å; H69-F116 AromaticContact CG-CE2 3.93Å; H69-F116 AromaticContact ND1-CE2 3.5Å |
| 70 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.8 | -179.9 | -61.8 | -179 | 74.3 | 0 | 0 | 110.6 | A49 I68 A81 R82 I85 I96 I97 I98 H99 | A49-M70 HydrophobicContact CB-CB 3.73Å; A49-M70 HydrophobicContact CB-CE 3.9Å; A49-M70 HydrophobicContact CB-CG 3.91Å; A49-M70 WeakPolarHBondContact O-CE 3.39Å; I68-M70 HydrophobicContact CG2-CG 3.86Å; M70-A81 HydrophobicContact CE-CB 3.8Å; M70-R82 HydrophobicContact SD-CB 4.21Å; M70-I85 HydrophobicContact CE-CD1 3.59Å; M70-I85 HydrophobicContact SD-CD1 3.58Å; M70-I85 VanDerWaalsContact SD-CD1 3.58Å; M70-I96 HydrophobicContact CG-CG2 4.16Å; M70-I96 HydrophobicContact SD-CG2 3.41Å; M70-I96 WeakPolarHBondContact SD-CG2 3.49Å; M70-I97 PolarHBondContact N-O 2.98Å; M70-I98 HydrophobicContact CB-CG1 4.48Å; M70-H99 PolarHBondContact O-N 3.49Å |
| 71 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113 | 172.9 | 172 | 0 | 0 | 0 | 0 | 109.4 | L45 V46 T47 G48 H69 H99 L101 L103 F112 | L45-V71 HydrophobicContact CD1-CG2 3.88Å; L45-V71 HydrophobicContact CD2-CB 4.36Å; L45-V71 HydrophobicContact CD2-CG2 3.69Å; L45-V71 HydrophobicContact CG-CG2 3.81Å; V46-V71 PolarHBondContact O-N 3.48Å; T47-V71 CarbonylContact C-O 3.56Å; T47-V71 HydrophobicContact CG2-CB 4.11Å; T47-V71 HydrophobicContact CG2-CG1 4.07Å; G48-V71 PolarHBondContact N-O 2.86Å; H69-V71 PolarHBondContact O-N 2.84Å; V71-H99 WeakPolarHBondContact CA-O 3.42Å; V71-H99 HydrophobicContact CG2-CB 3.96Å; V71-L101 HydrophobicContact CG1-CB 3.98Å; V71-L101 HydrophobicContact CG1-CD2 3.88Å; V71-L101 HydrophobicContact CG1-CG 4.4Å; V71-L103 HydrophobicContact CG1-CD2 4.48Å; V71-F112 HydrophobicContact CG2-CE1 3.95Å; V71-F112 HydrophobicContact CG2-CZ 3.81Å |
| 72 | C | 98 | Very high | 98 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.6 | -171.8 | -64.6 | 0 | 0 | 0 | 0 | 111 | N50 A78 H99 P100 L101 | N50-C72 HydrophobicContact CB-CB 4.37Å; N50-C72 PolarHBondContact N-SG 3.24Å; C72-A78 HydrophobicContact CB-CB 3.63Å; C72-H99 PolarHBondContact N-O 3.17Å; C72-P100 CarbonylContact O-C 3.59Å; C72-P100 VanDerWaalsContact O-CA 3.23Å; C72-P100 WeakPolarHBondContact O-CA 3.47Å; C72-L101 CarbonylContact C-O 3.53Å; C72-L101 PolarHBondContact O-N 2.93Å |
| 73 | R | 96.8 | Very high | 98 | Very high | 173 Ų | 173 | 52.6 Ų | 52.6 | 65% | 0.653 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -67 | -43.7 | 177 | -178.4 | -178.5 | 63.3 | 179.7 | -0.2 | 113.1 | L101 D102 | R73-L101 VanDerWaalsContact CA-O 3.31Å; R73-L101 WeakPolarHBondContact CA-O 3.49Å; R73-L101 PolarHBondContact N-O 2.84Å; R73-D102 WeakPolarHBondContact CD-OD2 3.41Å; R73-D102 HydrophobicContact CG-CB 3.95Å |
| 74 | S | 97.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | trans | -98 | 108.9 | -175.4 | 176 | 0 | 0 | 0 | 0 | 110 | R77 A78 | S74-R77 PolarHBondContact O-N 2.92Å; S74-A78 WeakPolarHBondContact O-CB 3.41Å; S74-A78 PolarHBondContact O-N 3Å | ||
| 75 | K | 97.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 50 Ų | 50 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -57 | -45.8 | 176.7 | -175.3 | 178.9 | -178.9 | -179.5 | 0 | 112.9 | R77 A78 E79 P100 | K75-R77 PolarHBondContact O-N 3.32Å; K75-A78 WeakPolarHBondContact O-CB 3.42Å; K75-A78 PolarHBondContact O-N 2.99Å; K75-A78 VanDerWaalsContact O-N 3.17Å; K75-E79 PolarHBondContact O-N 3.14Å; K75-P100 HydrophobicContact CB-CB 4.27Å; K75-P100 HydrophobicContact CB-CG 4.04Å; K75-P100 HydrophobicContact CD-CG 4.05Å; K75-P100 HydrophobicContact CG-CG 4.02Å |
| 76 | P | 98.2 | Very high | 98.1 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 57% | 0.571 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.7 | -47.5 | 177.9 | -26.1 | 35.4 | 0 | 0 | 0 | 113.2 | A78 E79 E80 | P76-A78 VanDerWaalsContact C-N 3.26Å; P76-A78 PolarHBondContact O-N 2.98Å; P76-E79 PolarHBondContact O-N 2.71Å; P76-E79 VanDerWaalsContact O-N 3.15Å; P76-E80 PolarHBondContact O-N 3.14Å |
| 77 | R | 97.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 55.5 Ų | 55.5 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 177.6 | -66.1 | -177.9 | 179.1 | -177.6 | -0.3 | 112.7 | N50 S74 K75 A81 | N50-R77 HydrophobicContact CB-CB 4.48Å; S74-R77 PolarHBondContact O-N 2.92Å; K75-R77 PolarHBondContact O-N 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 2.95Å |
| 78 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C72 S74 K75 P76 A81 R82 I98 | C72-A78 HydrophobicContact CB-CB 3.63Å; S74-A78 WeakPolarHBondContact O-CB 3.41Å; S74-A78 PolarHBondContact O-N 3Å; K75-A78 WeakPolarHBondContact O-CB 3.42Å; K75-A78 PolarHBondContact O-N 2.99Å; K75-A78 VanDerWaalsContact O-N 3.17Å; P76-A78 VanDerWaalsContact C-N 3.26Å; P76-A78 PolarHBondContact O-N 2.98Å; A78-A81 PolarHBondContact O-N 2.83Å; A78-R82 VanDerWaalsContact O-CB 3.3Å; A78-R82 WeakPolarHBondContact O-CB 3.49Å; A78-R82 PolarHBondContact O-N 3.05Å; A78-I98 HydrophobicContact CB-CD1 4.03Å; A78-I98 HydrophobicContact CB-CG1 4.13Å; A78-I98 HydrophobicContact CB-CG2 3.66Å; A78-I98 WeakPolarHBondContact O-CD1 3.2Å |
| 79 | E | 98.5 | Very high | 98.1 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 176 | -166 | 59.7 | -136.6 | 0 | 0 | 111.4 | K75 P76 A81 R82 Q83 I98 | K75-E79 PolarHBondContact O-N 3.14Å; P76-E79 PolarHBondContact O-N 2.71Å; P76-E79 VanDerWaalsContact O-N 3.15Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 2.86Å; E79-R82 WeakPolarHBondContact O-CB 2.84Å; E79-R82 PolarHBondContact O-N 3Å; E79-R82 IonicContact OE1-NH1 3.45Å; E79-R82 PolarHBondContact OE1-NH1 3.05Å; E79-R82 VanDerWaalsContact OE1-NH1 3.1Å; E79-Q83 WeakPolarHBondContact O-CG 3.45Å; E79-Q83 PolarHBondContact O-N 2.8Å; E79-Q83 PolarHBondContact OE1-NE2 3.07Å; E79-I98 HydrophobicContact CB-CD1 4.3Å; E79-I98 WeakPolarHBondContact OE2-CD1 3.21Å |
| 80 | E | 98.4 | Very high | 98 | Very high | 132 Ų | 132 | 62.4 Ų | 62.4 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.6 | -48.4 | 172.9 | -70.4 | 167.6 | -166.8 | 0 | 0 | 111.6 | P76 R82 Q83 Q84 | P76-E80 PolarHBondContact O-N 3.14Å; E80-R82 VanDerWaalsContact C-N 3.33Å; E80-R82 PolarHBondContact O-N 2.76Å; E80-Q83 PolarHBondContact O-N 2.92Å; E80-Q84 WeakPolarHBondContact O-CB 3.41Å; E80-Q84 PolarHBondContact O-N 2.85Å |
| 81 | A | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N50 L55 M70 R77 A78 E79 Q84 I85 | N50-A81 HydrophobicContact CB-CB 3.98Å; L55-A81 HydrophobicContact CD1-CB 3.97Å; M70-A81 HydrophobicContact CE-CB 3.8Å; R77-A81 WeakPolarHBondContact O-CB 3.46Å; R77-A81 PolarHBondContact O-N 2.95Å; A78-A81 PolarHBondContact O-N 2.83Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-A81 PolarHBondContact O-N 2.86Å; A81-Q84 WeakPolarHBondContact O-CB 3.31Å; A81-Q84 PolarHBondContact O-N 3.43Å; A81-I85 WeakPolarHBondContact O-CD1 3.49Å; A81-I85 VanDerWaalsContact O-CG1 3.29Å; A81-I85 WeakPolarHBondContact O-CG1 3.31Å; A81-I85 PolarHBondContact O-N 3.26Å |
| 82 | R | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 71 Ų | 71 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175 | 168.9 | 174 | -171.5 | -81.5 | -0.9 | 111.8 | M70 A78 E79 E80 Q84 I85 I86 D93 I96 I98 | M70-R82 HydrophobicContact SD-CB 4.21Å; A78-R82 VanDerWaalsContact O-CB 3.3Å; A78-R82 WeakPolarHBondContact O-CB 3.49Å; A78-R82 PolarHBondContact O-N 3.05Å; E79-R82 WeakPolarHBondContact O-CB 2.84Å; E79-R82 PolarHBondContact O-N 3Å; E79-R82 IonicContact OE1-NH1 3.45Å; E79-R82 PolarHBondContact OE1-NH1 3.05Å; E79-R82 VanDerWaalsContact OE1-NH1 3.1Å; E80-R82 VanDerWaalsContact C-N 3.33Å; E80-R82 PolarHBondContact O-N 2.76Å; R82-Q84 PolarHBondContact O-N 2.76Å; R82-I85 PolarHBondContact O-N 3.21Å; R82-I85 VanDerWaalsContact O-N 3.15Å; R82-I86 HydrophobicContact CG-CD1 3.81Å; R82-I86 WeakPolarHBondContact O-CG1 3.48Å; R82-I86 PolarHBondContact O-N 3.13Å; R82-D93 IonicContact CZ-OD1 3.03Å; R82-D93 IonicContact CZ-OD2 3.43Å; R82-D93 IonicContact NH1-OD1 2.98Å; R82-D93 PolarHBondContact NH1-OD1 3.2Å; R82-D93 IonicContact NH1-OD2 3.63Å; R82-D93 PolarHBondContact NH2-O 2.93Å; R82-D93 IonicContact NH2-OD1 3.71Å; R82-D93 PolarHBondContact NH2-OD1 2.9Å; R82-D93 IonicContact NH2-OD2 3.01Å; R82-D93 PolarHBondContact NH2-OD2 2.91Å; R82-I96 HydrophobicContact CB-CG2 4.06Å; R82-I96 HydrophobicContact CG-CB 4.09Å; R82-I96 HydrophobicContact CG-CG2 3.66Å; R82-I96 PolarHBondContact NE-O 3.44Å; R82-I98 HydrophobicContact CB-CD1 3.86Å; R82-I98 HydrophobicContact CB-CG1 4.38Å; R82-I98 HydrophobicContact CG-CD1 4.3Å |
| 83 | Q | 98.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 74.7 Ų | 74.7 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 175 | -64.8 | -54.3 | -37.7 | 0 | 0 | 111.5 | E79 E80 I86 S87 | E79-Q83 WeakPolarHBondContact O-CG 3.45Å; E79-Q83 PolarHBondContact O-N 2.8Å; E79-Q83 PolarHBondContact OE1-NE2 3.07Å; E80-Q83 PolarHBondContact O-N 2.92Å; Q83-I86 PolarHBondContact O-N 3.29Å; Q83-S87 WeakPolarHBondContact O-CB 3.36Å; Q83-S87 PolarHBondContact O-N 2.96Å; Q83-S87 PolarHBondContact O-OG 2.84Å |
| 84 | Q | 98.2 | Very high | 97.8 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.7 | -172.2 | 178.4 | 4.5 | 0 | 0 | 112.3 | E80 A81 R82 S87 E88 | E80-Q84 WeakPolarHBondContact O-CB 3.41Å; E80-Q84 PolarHBondContact O-N 2.85Å; A81-Q84 WeakPolarHBondContact O-CB 3.31Å; A81-Q84 PolarHBondContact O-N 3.43Å; R82-Q84 PolarHBondContact O-N 2.76Å; Q84-S87 PolarHBondContact O-OG 3.45Å; Q84-E88 HydrophobicContact CG-CG 4.4Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.46Å; Q84-E88 PolarHBondContact NE2-OE1 2.91Å; Q84-E88 WeakPolarHBondContact O-CB 3.32Å; Q84-E88 WeakPolarHBondContact O-CG 3.5Å; Q84-E88 PolarHBondContact O-N 3.06Å |
| 85 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 176.1 | -68.2 | 156.1 | 0 | 0 | 0 | 110.2 | L55 C58 K59 A62 M70 A81 R82 S87 E88 T89 I96 | L55-I85 HydrophobicContact CD1-CD1 3.82Å; L55-I85 HydrophobicContact CD1-CG1 3.73Å; C58-I85 HydrophobicContact CB-CD1 3.6Å; C58-I85 HydrophobicContact CB-CG1 4.36Å; K59-I85 HydrophobicContact CG-CB 4.39Å; K59-I85 HydrophobicContact CG-CG1 3.68Å; A62-I85 HydrophobicContact CB-CG2 4.05Å; M70-I85 HydrophobicContact CE-CD1 3.59Å; M70-I85 HydrophobicContact SD-CD1 3.58Å; M70-I85 VanDerWaalsContact SD-CD1 3.58Å; A81-I85 WeakPolarHBondContact O-CD1 3.49Å; A81-I85 VanDerWaalsContact O-CG1 3.29Å; A81-I85 WeakPolarHBondContact O-CG1 3.31Å; A81-I85 PolarHBondContact O-N 3.26Å; R82-I85 PolarHBondContact O-N 3.21Å; R82-I85 VanDerWaalsContact O-N 3.15Å; I85-S87 PolarHBondContact O-N 2.8Å; I85-E88 PolarHBondContact O-N 3.34Å; I85-T89 HydrophobicContact CG2-CG2 4.31Å; I85-T89 VanDerWaalsContact O-CB 3.29Å; I85-T89 WeakPolarHBondContact O-CB 3.45Å; I85-T89 VanDerWaalsContact O-CG2 3.24Å; I85-T89 WeakPolarHBondContact O-CG2 3.36Å; I85-T89 PolarHBondContact O-N 2.74Å; I85-T89 PolarHBondContact O-OG1 3.24Å; I85-I96 HydrophobicContact CD1-CG2 4.38Å; I85-I96 HydrophobicContact CG2-CD1 3.71Å; I85-I96 HydrophobicContact CG2-CG1 4.09Å |
| 86 | I | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | -177.2 | -66.8 | 160.3 | 0 | 0 | 0 | 110.7 | R82 Q83 G90 D93 I96 | R82-I86 HydrophobicContact CG-CD1 3.81Å; R82-I86 WeakPolarHBondContact O-CG1 3.48Å; R82-I86 PolarHBondContact O-N 3.13Å; Q83-I86 PolarHBondContact O-N 3.29Å; I86-G90 WeakPolarHBondContact O-CA 3.49Å; I86-G90 PolarHBondContact O-N 2.92Å; I86-D93 HydrophobicContact CD1-CB 4.19Å; I86-D93 WeakPolarHBondContact CD1-OD1 3.3Å; I86-I96 HydrophobicContact CG1-CG1 4.11Å |
| 87 | S | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | -178.2 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | Q83 Q84 I85 | Q83-S87 WeakPolarHBondContact O-CB 3.36Å; Q83-S87 PolarHBondContact O-N 2.96Å; Q83-S87 PolarHBondContact O-OG 2.84Å; Q84-S87 PolarHBondContact O-OG 3.45Å; I85-S87 PolarHBondContact O-N 2.8Å |
| 88 | E | 97.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 57 Ų | 57 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -79.5 | -22.2 | -178.3 | -69.4 | -179 | -154.7 | 0 | 0 | 113.9 | K59 Q84 I85 | K59-E88 WeakPolarHBondContact CD-OE2 3.44Å; K59-E88 WeakPolarHBondContact CE-OE2 3.34Å; K59-E88 IonicContact NZ-OE1 3.88Å; K59-E88 PolarHBondContact NZ-OE1 3.39Å; K59-E88 IonicContact NZ-OE2 3.5Å; K59-E88 PolarHBondContact NZ-OE2 2.83Å; Q84-E88 HydrophobicContact CG-CG 4.4Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.46Å; Q84-E88 PolarHBondContact NE2-OE1 2.91Å; Q84-E88 WeakPolarHBondContact O-CB 3.32Å; Q84-E88 WeakPolarHBondContact O-CG 3.5Å; Q84-E88 PolarHBondContact O-N 3.06Å; I85-E88 PolarHBondContact O-N 3.34Å |
| 89 | T | 97.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -109.5 | -20 | -175.6 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | K59 K63 I85 V91 | K59-T89 HydrophobicContact CB-CG2 4.27Å; K63-T89 HydrophobicContact CD-CG2 4.34Å; K63-T89 HydrophobicContact CG-CG2 3.67Å; I85-T89 HydrophobicContact CG2-CG2 4.31Å; I85-T89 VanDerWaalsContact O-CB 3.29Å; I85-T89 WeakPolarHBondContact O-CB 3.45Å; I85-T89 VanDerWaalsContact O-CG2 3.24Å; I85-T89 WeakPolarHBondContact O-CG2 3.36Å; I85-T89 PolarHBondContact O-N 2.74Å; I85-T89 PolarHBondContact O-OG1 3.24Å; T89-V91 PolarHBondContact O-N 2.6Å; T89-V91 WeakPolarHBondContact OG1-CG1 3.2Å; T89-V91 VanDerWaalsContact OG1-CG2 3.25Å; T89-V91 WeakPolarHBondContact OG1-CG2 3.35Å; T89-V91 PolarHBondContact OG1-N 2.9Å |
| 90 | G | 97.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 59 Ų | 59 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | trans | 70.2 | 11.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I86 | I86-G90 WeakPolarHBondContact O-CA 3.49Å; I86-G90 PolarHBondContact O-N 2.92Å | ||
| 91 | V | 97.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -70.3 | 157 | 179 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | A62 T89 D93 L95 I96 | A62-V91 HydrophobicContact CB-CG1 4.18Å; A62-V91 HydrophobicContact CB-CG2 4.35Å; A62-V91 WeakPolarHBondContact O-CG1 3.32Å; T89-V91 PolarHBondContact O-N 2.6Å; T89-V91 WeakPolarHBondContact OG1-CG1 3.2Å; T89-V91 VanDerWaalsContact OG1-CG2 3.25Å; T89-V91 WeakPolarHBondContact OG1-CG2 3.35Å; T89-V91 PolarHBondContact OG1-N 2.9Å; V91-D93 PolarHBondContact O-N 3.23Å; V91-L95 HydrophobicContact CB-CD1 4.39Å; V91-I96 HydrophobicContact CG2-CD1 4.09Å; V91-I96 HydrophobicContact CG2-CG1 4.1Å | ||
| 92 | K | 97 | Very high | 97.8 | Very high | 159 Ų | 159 | 55.3 Ų | 55.3 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | trans | -64.4 | 137 | 174.7 | -65.6 | -179 | -179 | 178.1 | 0 | 110.4 | S94 L95 | K92-S94 PolarHBondContact O-N 2.96Å; K92-S94 VanDerWaalsContact O-N 3.11Å; K92-L95 WeakPolarHBondContact O-CB 3.35Å; K92-L95 PolarHBondContact O-N 2.97Å | ||
| 93 | D | 96.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -51.1 | -34 | 175.9 | -172.6 | 71.8 | 0 | 0 | 0 | 113.1 | R82 I86 V91 L95 I96 | R82-D93 IonicContact CZ-OD1 3.03Å; R82-D93 IonicContact CZ-OD2 3.43Å; R82-D93 IonicContact NH1-OD1 2.98Å; R82-D93 PolarHBondContact NH1-OD1 3.2Å; R82-D93 IonicContact NH1-OD2 3.63Å; R82-D93 PolarHBondContact NH2-O 2.93Å; R82-D93 IonicContact NH2-OD1 3.71Å; R82-D93 PolarHBondContact NH2-OD1 2.9Å; R82-D93 IonicContact NH2-OD2 3.01Å; R82-D93 PolarHBondContact NH2-OD2 2.91Å; I86-D93 HydrophobicContact CD1-CB 4.19Å; I86-D93 WeakPolarHBondContact CD1-OD1 3.3Å; V91-D93 PolarHBondContact O-N 3.23Å; D93-L95 PolarHBondContact O-N 3.09Å; D93-I96 PolarHBondContact O-N 2.93Å |
| 94 | S | 96.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 51 Ų | 51 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -65.5 | -17.1 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | K92 | K92-S94 PolarHBondContact O-N 2.96Å; K92-S94 VanDerWaalsContact O-N 3.11Å |
| 95 | L | 97.2 | Very high | 97.7 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -85.2 | -10.6 | 177.9 | -67.3 | 177.6 | 0 | 0 | 0 | 112.8 | E67 I68 V91 K92 D93 | E67-L95 CarbonylContact C-O 3.58Å; E67-L95 WeakPolarHBondContact CA-O 3.48Å; E67-L95 HydrophobicContact CB-CD2 4.26Å; I68-L95 PolarHBondContact N-O 3.25Å; V91-L95 HydrophobicContact CB-CD1 4.39Å; K92-L95 WeakPolarHBondContact O-CB 3.35Å; K92-L95 PolarHBondContact O-N 2.97Å; D93-L95 PolarHBondContact O-N 3.09Å |
| 96 | I | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 102.7 | -176.9 | -47 | -59.4 | 0 | 0 | 0 | 109.4 | A62 I68 M70 R82 I85 I86 V91 D93 | A62-I96 HydrophobicContact CB-CD1 3.98Å; I68-I96 HydrophobicContact CB-CD1 3.86Å; I68-I96 HydrophobicContact CG1-CD1 3.85Å; M70-I96 HydrophobicContact CG-CG2 4.16Å; M70-I96 HydrophobicContact SD-CG2 3.41Å; M70-I96 WeakPolarHBondContact SD-CG2 3.49Å; R82-I96 HydrophobicContact CB-CG2 4.06Å; R82-I96 HydrophobicContact CG-CB 4.09Å; R82-I96 HydrophobicContact CG-CG2 3.66Å; R82-I96 PolarHBondContact NE-O 3.44Å; I85-I96 HydrophobicContact CD1-CG2 4.38Å; I85-I96 HydrophobicContact CG2-CD1 3.71Å; I85-I96 HydrophobicContact CG2-CG1 4.09Å; I86-I96 HydrophobicContact CG1-CG1 4.11Å; V91-I96 HydrophobicContact CG2-CD1 4.09Å; V91-I96 HydrophobicContact CG2-CG1 4.1Å; D93-I96 PolarHBondContact O-N 2.93Å |
| 97 | I | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.1 | -176.3 | -54.3 | 94.3 | 0 | 0 | 0 | 110 | E67 I68 H69 M70 H99 | E67-I97 HydrophobicContact CG-CD1 3.35Å; I68-I97 PolarHBondContact O-N 3.48Å; H69-I97 CarbonylContact C-O 3.5Å; H69-I97 WeakPolarHBondContact CA-O 3.37Å; M70-I97 PolarHBondContact N-O 2.98Å; I97-H99 VanDerWaalsContact CG2-NE2 3.31Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.26Å |
| 98 | I | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.8 | 177.7 | -67.5 | 164 | 0 | 0 | 0 | 111 | M70 A78 E79 R82 P100 | M70-I98 HydrophobicContact CB-CG1 4.48Å; A78-I98 HydrophobicContact CB-CD1 4.03Å; A78-I98 HydrophobicContact CB-CG1 4.13Å; A78-I98 HydrophobicContact CB-CG2 3.66Å; A78-I98 WeakPolarHBondContact O-CD1 3.2Å; E79-I98 HydrophobicContact CB-CD1 4.3Å; E79-I98 WeakPolarHBondContact OE2-CD1 3.21Å; R82-I98 HydrophobicContact CB-CD1 3.86Å; R82-I98 HydrophobicContact CB-CG1 4.38Å; R82-I98 HydrophobicContact CG-CD1 4.3Å; I98-P100 HydrophobicContact CG2-CG 4.19Å |
| 99 | H | 98 | Very high | 97.7 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 98.6 | 173.2 | -58.6 | -75.5 | 0 | 0 | 0 | 109.1 | H69 M70 V71 C72 I97 L101 F112 | H69-H99 AromaticContact CG-NE2 3.69Å; H69-H99 AromaticContact ND1-CE1 3.82Å; H69-H99 AromaticContact ND1-NE2 3.06Å; H69-H99 PolarHBondContact ND1-NE2 3.19Å; M70-H99 PolarHBondContact O-N 3.49Å; V71-H99 WeakPolarHBondContact CA-O 3.42Å; V71-H99 HydrophobicContact CG2-CB 3.96Å; C72-H99 PolarHBondContact N-O 3.17Å; I97-H99 VanDerWaalsContact CG2-NE2 3.31Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.26Å; H99-L101 PolarHBondContact O-N 2.72Å; H99-L101 VanDerWaalsContact O-N 3.15Å; H99-F112 HydrophobicContact CB-CD2 4.38Å; H99-F112 HydrophobicContact CB-CE2 3.6Å; H99-F112 HydrophobicContact CB-CZ 4.02Å; H99-F112 AromaticContact CG-CE2 3.5Å; H99-F112 VanDerWaalsContact CG-CE2 3.5Å; H99-F112 AromaticContact CG-CZ 3.88Å; H99-F112 AromaticContact ND1-CE2 3.43Å; H99-F112 WeakPolarHBondContact ND1-CE2 3.48Å |
| 100 | P | 98.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 111.2 | 174.4 | -19.5 | 33.9 | 0 | 0 | 0 | 110.1 | C72 K75 I98 | C72-P100 CarbonylContact O-C 3.59Å; C72-P100 VanDerWaalsContact O-CA 3.23Å; C72-P100 WeakPolarHBondContact O-CA 3.47Å; K75-P100 HydrophobicContact CB-CB 4.27Å; K75-P100 HydrophobicContact CB-CG 4.04Å; K75-P100 HydrophobicContact CD-CG 4.05Å; K75-P100 HydrophobicContact CG-CG 4.02Å; I98-P100 HydrophobicContact CG2-CG 4.19Å |
| 101 | L | 98.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | trans | -152.4 | 128.2 | -177.6 | -179.4 | 65.9 | 0 | 0 | 0 | 111.1 | V71 C72 R73 H99 L103 D108 V109 F112 | V71-L101 HydrophobicContact CG1-CB 3.98Å; V71-L101 HydrophobicContact CG1-CD2 3.88Å; V71-L101 HydrophobicContact CG1-CG 4.4Å; C72-L101 CarbonylContact C-O 3.53Å; C72-L101 PolarHBondContact O-N 2.93Å; R73-L101 VanDerWaalsContact CA-O 3.31Å; R73-L101 WeakPolarHBondContact CA-O 3.49Å; R73-L101 PolarHBondContact N-O 2.84Å; H99-L101 PolarHBondContact O-N 2.72Å; H99-L101 VanDerWaalsContact O-N 3.15Å; L101-L103 HydrophobicContact CD2-CD2 3.97Å; L101-L103 HydrophobicContact CG-CD2 4.38Å; L101-D108 HydrophobicContact CD1-CB 3.81Å; L101-V109 HydrophobicContact CD1-CG2 4.2Å; L101-V109 HydrophobicContact CD2-CG2 4.28Å; L101-V109 HydrophobicContact CG-CG2 4.32Å; L101-F112 HydrophobicContact CD1-CB 4.15Å; L101-F112 HydrophobicContact CD2-CB 3.93Å; L101-F112 HydrophobicContact CD2-CD1 3.62Å; L101-F112 HydrophobicContact CD2-CE1 4.34Å; L101-F112 HydrophobicContact CD2-CG 3.77Å | ||
| 102 | D | 98 | Very high | 97.6 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | trans | -91.7 | 112.4 | 169.8 | -164.5 | -28.9 | 0 | 0 | 0 | 110 | R73 S104 K105 | R73-D102 WeakPolarHBondContact CD-OD2 3.41Å; R73-D102 HydrophobicContact CG-CB 3.95Å; D102-S104 PolarHBondContact O-N 2.99Å; D102-S104 VanDerWaalsContact O-N 3.14Å; D102-S104 WeakPolarHBondContact OD1-CB 3.12Å; D102-S104 PolarHBondContact OD1-N 3.17Å; D102-S104 PolarHBondContact OD1-OG 3.3Å; D102-S104 PolarHBondContact OD2-OG 3.17Å; D102-K105 HydrophobicContact CB-CG 4.15Å; D102-K105 PolarHBondContact O-N 3.34Å | ||
| 103 | L | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.8 | 179.2 | -65.6 | -173.6 | 0 | 0 | 0 | 113.7 | T47 V71 L101 K105 V109 A131 T151 G155 L159 | T47-L103 HydrophobicContact CG2-CD1 4.28Å; V71-L103 HydrophobicContact CG1-CD2 4.48Å; L101-L103 HydrophobicContact CD2-CD2 3.97Å; L101-L103 HydrophobicContact CG-CD2 4.38Å; L103-K105 PolarHBondContact O-N 2.68Å; L103-V109 HydrophobicContact CD2-CG1 4.38Å; L103-V109 HydrophobicContact CD2-CG2 3.92Å; L103-A131 HydrophobicContact CD1-CB 3.5Å; L103-T151 HydrophobicContact CB-CG2 4.25Å; L103-G155 WeakPolarHBondContact O-CA 3.27Å; L103-L159 HydrophobicContact CD2-CD2 4.17Å |
| 104 | S | 97.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.9 | 172.8 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | D102 P106 | D102-S104 PolarHBondContact O-N 2.99Å; D102-S104 VanDerWaalsContact O-N 3.14Å; D102-S104 WeakPolarHBondContact OD1-CB 3.12Å; D102-S104 PolarHBondContact OD1-N 3.17Å; D102-S104 PolarHBondContact OD1-OG 3.3Å; D102-S104 PolarHBondContact OD2-OG 3.17Å; S104-P106 WeakPolarHBondContact O-CD 3.42Å |
| 105 | K | 97.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 27% | 0.265 | 22% | 0.223 | S | C | . | . | trans | -105.6 | 89.3 | -179.5 | -63.4 | -56.5 | -172 | -179.7 | 0 | 110.8 | D102 L103 N107 D108 V109 E142 | D102-K105 HydrophobicContact CB-CG 4.15Å; D102-K105 PolarHBondContact O-N 3.34Å; L103-K105 PolarHBondContact O-N 2.68Å; K105-N107 VanDerWaalsContact C-N 3.33Å; K105-N107 PolarHBondContact O-N 3.33Å; K105-D108 HydrophobicContact CB-CB 4.13Å; K105-D108 WeakPolarHBondContact CB-OD2 3.13Å; K105-D108 PolarHBondContact O-N 2.61Å; K105-D108 VanDerWaalsContact O-N 3.08Å; K105-V109 WeakPolarHBondContact O-CG2 3.28Å; K105-V109 PolarHBondContact O-N 3.37Å; K105-E142 VanDerWaalsContact NZ-CD 3.26Å; K105-E142 IonicContact NZ-OE1 2.72Å; K105-E142 PolarHBondContact NZ-OE1 3.26Å; K105-E142 IonicContact NZ-OE2 2.98Å; K105-E142 PolarHBondContact NZ-OE2 2.98Å | ||
| 106 | P | 97.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -34.3 | -167.4 | 24.1 | -36.3 | 0 | 0 | 0 | 114.4 | S104 V109 R110 L145 L154 I158 F323 | S104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-V109 PolarHBondContact O-N 2.71Å; P106-R110 PolarHBondContact O-N 3.47Å; P106-L145 HydrophobicContact CG-CD1 3.95Å; P106-L154 HydrophobicContact CB-CD2 4.21Å; P106-L154 HydrophobicContact CG-CD2 4.41Å; P106-I158 HydrophobicContact CB-CD1 3.37Å; P106-F323 HydrophobicContact CB-CB 3.91Å; P106-F323 HydrophobicContact CB-CD1 3.9Å; P106-F323 HydrophobicContact CB-CD2 3.8Å; P106-F323 HydrophobicContact CB-CE1 4.35Å; P106-F323 HydrophobicContact CB-CE2 4.27Å; P106-F323 HydrophobicContact CB-CG 3.59Å; P106-F323 HydrophobicContact CG-CB 4.48Å; P106-F323 HydrophobicContact CG-CD1 3.5Å; P106-F323 VanDerWaalsContact CG-CD1 3.5Å; P106-F323 HydrophobicContact CG-CD2 3.88Å; P106-F323 HydrophobicContact CG-CE1 3.51Å; P106-F323 HydrophobicContact CG-CE2 3.9Å; P106-F323 HydrophobicContact CG-CG 3.68Å; P106-F323 HydrophobicContact CG-CZ 3.71Å |
| 107 | N | 97.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 174.8 | -73.5 | -40.3 | 0 | 0 | 0 | 112.1 | K105 V109 R110 N111 F323 | K105-N107 VanDerWaalsContact C-N 3.33Å; K105-N107 PolarHBondContact O-N 3.33Å; N107-V109 VanDerWaalsContact C-N 3.3Å; N107-V109 PolarHBondContact O-N 3.19Å; N107-R110 PolarHBondContact O-N 3.37Å; N107-N111 WeakPolarHBondContact O-CB 3.31Å; N107-N111 VanDerWaalsContact O-CG 3.29Å; N107-N111 PolarHBondContact O-N 3.17Å; N107-N111 PolarHBondContact O-ND2 2.86Å; N107-F323 WeakPolarHBondContact OD1-CD1 3.34Å |
| 108 | D | 97.7 | Very high | 96.7 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 178.5 | -61.8 | -21.3 | 0 | 0 | 0 | 110.5 | L101 K105 N111 F112 | L101-D108 HydrophobicContact CD1-CB 3.81Å; K105-D108 HydrophobicContact CB-CB 4.13Å; K105-D108 WeakPolarHBondContact CB-OD2 3.13Å; K105-D108 PolarHBondContact O-N 2.61Å; K105-D108 VanDerWaalsContact O-N 3.08Å; D108-N111 PolarHBondContact O-N 3.02Å; D108-F112 WeakPolarHBondContact O-CB 3.48Å; D108-F112 PolarHBondContact O-N 3.01Å |
| 109 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L101 L103 K105 P106 N107 G113 I158 L159 | L101-V109 HydrophobicContact CD1-CG2 4.2Å; L101-V109 HydrophobicContact CD2-CG2 4.28Å; L101-V109 HydrophobicContact CG-CG2 4.32Å; L103-V109 HydrophobicContact CD2-CG1 4.38Å; L103-V109 HydrophobicContact CD2-CG2 3.92Å; K105-V109 WeakPolarHBondContact O-CG2 3.28Å; K105-V109 PolarHBondContact O-N 3.37Å; P106-V109 PolarHBondContact O-N 2.71Å; N107-V109 VanDerWaalsContact C-N 3.3Å; N107-V109 PolarHBondContact O-N 3.19Å; V109-G113 PolarHBondContact O-N 2.86Å; V109-I158 HydrophobicContact CB-CG2 4.21Å; V109-I158 HydrophobicContact CG1-CB 4.2Å; V109-I158 HydrophobicContact CG1-CG2 3.92Å; V109-L159 HydrophobicContact CG1-CB 3.58Å; V109-L159 HydrophobicContact CG1-CD1 4.17Å; V109-L159 HydrophobicContact CG1-CG 4.45Å |
| 110 | R | 97.3 | Very high | 94.3 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.6 | 174.4 | 56.1 | 158.8 | -178.5 | -1.6 | 111.3 | P106 N107 F112 G113 K114 I158 S162 F323 L324 | P106-R110 PolarHBondContact O-N 3.47Å; N107-R110 PolarHBondContact O-N 3.37Å; R110-F112 VanDerWaalsContact C-N 3.33Å; R110-F112 PolarHBondContact O-N 3.47Å; R110-G113 PolarHBondContact O-N 3.42Å; R110-K114 HydrophobicContact CG-CD 4.25Å; R110-K114 VanDerWaalsContact NE-CE 3.29Å; R110-K114 WeakPolarHBondContact O-CB 3.24Å; R110-K114 PolarHBondContact O-N 2.92Å; R110-I158 HydrophobicContact CB-CG2 3.83Å; R110-S162 WeakPolarHBondContact CD-OG 3.13Å; R110-S162 PolarHBondContact NH1-OG 2.91Å; R110-F323 WeakPolarHBondContact CB-O 3.36Å; R110-F323 VanDerWaalsContact CG-O 3.27Å; R110-F323 WeakPolarHBondContact CG-O 3.38Å; R110-L324 PolarHBondContact NE-O 3.04Å; R110-L324 PolarHBondContact NH2-O 3.36Å |
| 111 | N | 97.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | -178.6 | -75 | -23.6 | 0 | 0 | 0 | 111.2 | N107 D108 K114 Q115 | N107-N111 WeakPolarHBondContact O-CB 3.31Å; N107-N111 VanDerWaalsContact O-CG 3.29Å; N107-N111 PolarHBondContact O-N 3.17Å; N107-N111 PolarHBondContact O-ND2 2.86Å; D108-N111 PolarHBondContact O-N 3.02Å; N111-K114 PolarHBondContact O-N 3.21Å; N111-Q115 WeakPolarHBondContact O-CB 3.39Å; N111-Q115 VanDerWaalsContact O-CG 3.23Å; N111-Q115 WeakPolarHBondContact O-CG 3.25Å; N111-Q115 PolarHBondContact O-N 3.34Å |
| 112 | F | 97.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.5 | -52.1 | 173.5 | 170.6 | -100.2 | 0 | 0 | 0 | 111.8 | L45 V71 H99 L101 D108 R110 K114 Q115 F116 L159 | L45-F112 HydrophobicContact CD1-CE1 3.79Å; L45-F112 HydrophobicContact CD1-CZ 3.74Å; V71-F112 HydrophobicContact CG2-CE1 3.95Å; V71-F112 HydrophobicContact CG2-CZ 3.81Å; H99-F112 HydrophobicContact CB-CD2 4.38Å; H99-F112 HydrophobicContact CB-CE2 3.6Å; H99-F112 HydrophobicContact CB-CZ 4.02Å; H99-F112 AromaticContact CG-CE2 3.5Å; H99-F112 VanDerWaalsContact CG-CE2 3.5Å; H99-F112 AromaticContact CG-CZ 3.88Å; H99-F112 AromaticContact ND1-CE2 3.43Å; H99-F112 WeakPolarHBondContact ND1-CE2 3.48Å; L101-F112 HydrophobicContact CD1-CB 4.15Å; L101-F112 HydrophobicContact CD2-CB 3.93Å; L101-F112 HydrophobicContact CD2-CD1 3.62Å; L101-F112 HydrophobicContact CD2-CE1 4.34Å; L101-F112 HydrophobicContact CD2-CG 3.77Å; D108-F112 WeakPolarHBondContact O-CB 3.48Å; D108-F112 PolarHBondContact O-N 3.01Å; R110-F112 VanDerWaalsContact C-N 3.33Å; R110-F112 PolarHBondContact O-N 3.47Å; F112-K114 PolarHBondContact O-N 3.49Å; F112-Q115 PolarHBondContact O-N 3.23Å; F112-F116 HydrophobicContact CE2-CD2 4.47Å; F112-F116 HydrophobicContact CZ-CD2 4.02Å; F112-F116 WeakPolarHBondContact O-CB 3.43Å; F112-F116 PolarHBondContact O-N 2.85Å; F112-L159 HydrophobicContact CD1-CD1 3.66Å; F112-L159 HydrophobicContact CE1-CD1 3.82Å |
| 113 | G | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V109 R110 F116 A117 | V109-G113 PolarHBondContact O-N 2.86Å; R110-G113 PolarHBondContact O-N 3.42Å; G113-F116 PolarHBondContact O-N 3.33Å; G113-A117 WeakPolarHBondContact O-CB 3.38Å; G113-A117 PolarHBondContact O-N 3.4Å |
| 114 | K | 94.3 | Very high | 92 | Very high | 64 Ų | 64 | 59 Ų | 59 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 174.5 | -90.2 | 179.5 | 167.8 | 167.7 | 0 | 110.9 | R110 N111 F112 A117 N118 K325 | R110-K114 HydrophobicContact CG-CD 4.25Å; R110-K114 VanDerWaalsContact NE-CE 3.29Å; R110-K114 WeakPolarHBondContact O-CB 3.24Å; R110-K114 PolarHBondContact O-N 2.92Å; N111-K114 PolarHBondContact O-N 3.21Å; F112-K114 PolarHBondContact O-N 3.49Å; K114-A117 PolarHBondContact O-N 2.69Å; K114-N118 VanDerWaalsContact O-CB 3.27Å; K114-N118 WeakPolarHBondContact O-CB 3.29Å; K114-N118 PolarHBondContact O-N 3.09Å; K114-N118 PolarHBondContact O-ND2 3.05Å; K114-K325 PolarHBondContact NZ-O 3.44Å; K114-K325 PolarHBondContact NZ-OXT 2.97Å |
| 115 | Q | 94.8 | Very high | 92.1 | Very high | 141 Ų | 141 | 57.9 Ų | 57.9 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 179.2 | -73.4 | 175 | 25 | 0 | 0 | 111.9 | N111 F112 A117 N119 | N111-Q115 WeakPolarHBondContact O-CB 3.39Å; N111-Q115 VanDerWaalsContact O-CG 3.23Å; N111-Q115 WeakPolarHBondContact O-CG 3.25Å; N111-Q115 PolarHBondContact O-N 3.34Å; F112-Q115 PolarHBondContact O-N 3.23Å; Q115-A117 PolarHBondContact O-N 3.02Å; Q115-N119 PolarHBondContact O-N 3.27Å |
| 116 | F | 95.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 175.6 | -167.9 | -75.2 | 0 | 0 | 0 | 110.5 | L45 H69 F112 G113 S122 L124 L163 A166 | L45-F116 HydrophobicContact CD1-CD2 4.33Å; L45-F116 HydrophobicContact CD1-CE2 4.14Å; H69-F116 AromaticContact CE1-CE2 3.73Å; H69-F116 AromaticContact CG-CE2 3.93Å; H69-F116 AromaticContact ND1-CE2 3.5Å; F112-F116 HydrophobicContact CE2-CD2 4.47Å; F112-F116 HydrophobicContact CZ-CD2 4.02Å; F112-F116 WeakPolarHBondContact O-CB 3.43Å; F112-F116 PolarHBondContact O-N 2.85Å; G113-F116 PolarHBondContact O-N 3.33Å; F116-S122 WeakPolarHBondContact O-CB 3.42Å; F116-S122 PolarHBondContact O-OG 3.3Å; F116-L124 HydrophobicContact CE1-CB 3.97Å; F116-L124 HydrophobicContact CE1-CD1 4.32Å; F116-L124 HydrophobicContact CZ-CD1 4.14Å; F116-L163 HydrophobicContact CB-CD2 3.87Å; F116-L163 HydrophobicContact CD1-CD2 3.65Å; F116-L163 HydrophobicContact CE1-CD2 4.45Å; F116-L163 HydrophobicContact CG-CD2 3.83Å; F116-A166 HydrophobicContact CD1-CB 4.16Å; F116-A166 HydrophobicContact CE1-CB 4.32Å |
| 117 | A | 93 | Very high | 92.2 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -31 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G113 K114 Q115 P165 A166 K169 | G113-A117 WeakPolarHBondContact O-CB 3.38Å; G113-A117 PolarHBondContact O-N 3.4Å; K114-A117 PolarHBondContact O-N 2.69Å; Q115-A117 PolarHBondContact O-N 3.02Å; A117-P165 HydrophobicContact CB-CB 4.29Å; A117-A166 HydrophobicContact CB-CB 4.13Å; A117-K169 PolarHBondContact O-NZ 2.82Å; A117-K169 VanDerWaalsContact O-NZ 3.14Å |
| 118 | N | 89.3 | Confident | 92.3 | Very high | 119 Ų | 119 | 51.1 Ų | 51.1 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -82.8 | -15.6 | -177 | -74.3 | -11.5 | 0 | 0 | 0 | 114.3 | K114 N120 | K114-N118 VanDerWaalsContact O-CB 3.27Å; K114-N118 WeakPolarHBondContact O-CB 3.29Å; K114-N118 PolarHBondContact O-N 3.09Å; K114-N118 PolarHBondContact O-ND2 3.05Å; N118-N120 PolarHBondContact O-N 2.91Å |
| 119 | N | 85.9 | Confident | 92.3 | Very high | 101 Ų | 101 | 47 Ų | 47 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.5 | 123.2 | 172 | -174.9 | -7.4 | 0 | 0 | 0 | 108.2 | Q115 D121 S122 | Q115-N119 PolarHBondContact O-N 3.27Å; N119-D121 PolarHBondContact O-N 2.7Å; N119-S122 WeakPolarHBondContact CB-OG 3.28Å; N119-S122 VanDerWaalsContact O-CB 3.31Å; N119-S122 WeakPolarHBondContact O-CB 3.39Å; N119-S122 PolarHBondContact O-N 3.08Å |
| 120 | N | 59.8 | Low | 92.3 | Very high | 156 Ų | 156 | 48.1 Ų | 48.1 | 83% | 0.834 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.2 | -163.7 | -81.7 | -20.7 | 0 | 0 | 0 | 113.2 | N118 | N118-N120 PolarHBondContact O-N 2.91Š|
| 121 | D | 73 | Confident | 92.3 | Very high | 135 Ų | 135 | 46.6 Ų | 46.6 | 72% | 0.722 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.5 | 177.5 | -105.7 | -18.5 | 0 | 0 | 0 | 114.4 | R43 N119 R123 | R43-D121 PolarHBondContact NH1-O 3.45Å; N119-D121 PolarHBondContact O-N 2.7Å; D121-R123 PolarHBondContact O-N 3.3Å |
| 122 | S | 79 | Confident | 92.1 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | trans | -84.5 | 78.5 | -173.8 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | F116 N119 A166 | F116-S122 WeakPolarHBondContact O-CB 3.42Å; F116-S122 PolarHBondContact O-OG 3.3Å; N119-S122 WeakPolarHBondContact CB-OG 3.28Å; N119-S122 VanDerWaalsContact O-CB 3.31Å; N119-S122 WeakPolarHBondContact O-CB 3.39Å; N119-S122 PolarHBondContact O-N 3.08Å; S122-A166 WeakPolarHBondContact O-CB 3.29Å | ||
| 123 | R | 95.5 | Very high | 92 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | trans | -75 | 145 | 153.9 | 87.9 | -176.9 | -158.5 | -114.5 | -5.4 | 109.4 | N41 R43 D121 D125 K169 | N41-R123 VanDerWaalsContact O-CZ 3.31Å; N41-R123 PolarHBondContact O-NH2 2.98Å; R43-R123 VanDerWaalsContact CD-O 3.31Å; R43-R123 WeakPolarHBondContact CD-O 3.32Å; D121-R123 PolarHBondContact O-N 3.3Å; R123-D125 IonicContact CZ-OD1 2.6Å; R123-D125 IonicContact CZ-OD2 3.99Å; R123-D125 VanDerWaalsContact NE-CG 3.35Å; R123-D125 IonicContact NE-OD1 2.9Å; R123-D125 PolarHBondContact NE-OD1 3.05Å; R123-D125 IonicContact NE-OD2 2.8Å; R123-D125 PolarHBondContact NE-OD2 3.28Å; R123-D125 IonicContact NH2-OD1 3.99Å; R123-D125 IonicContact NH2-OD2 3.2Å; R123-D125 PolarHBondContact NH2-OD2 2.93Å; R123-K169 HydrophobicContact CB-CB 3.78Å | ||
| 124 | L | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -115.2 | 126.1 | 167 | -177.7 | 60.1 | 0 | 0 | 0 | 107.7 | R43 L45 F116 I126 L127 L163 A166 L167 S170 | R43-L124 HydrophobicContact CB-CD1 4.43Å; L45-L124 HydrophobicContact CB-CD1 3.71Å; L45-L124 HydrophobicContact CB-CD2 4.21Å; F116-L124 HydrophobicContact CE1-CB 3.97Å; F116-L124 HydrophobicContact CE1-CD1 4.32Å; F116-L124 HydrophobicContact CZ-CD1 4.14Å; L124-I126 WeakPolarHBondContact CD1-O 3.23Å; L124-L127 HydrophobicContact CD2-CB 4.16Å; L124-L163 HydrophobicContact CD2-CB 4.21Å; L124-L163 HydrophobicContact CD2-CD1 3.85Å; L124-L163 HydrophobicContact CD2-CD2 4.29Å; L124-L163 HydrophobicContact CD2-CG 4.35Å; L124-A166 HydrophobicContact CB-CB 3.91Å; L124-A166 PolarHBondContact N-O 2.76Å; L124-L167 HydrophobicContact CB-CD2 4.14Å; L124-L167 HydrophobicContact CB-CG 4.3Å; L124-L167 HydrophobicContact CD2-CD2 3.93Å; L124-L167 HydrophobicContact CD2-CG 4.12Å; L124-L167 HydrophobicContact CG-CD2 3.87Å; L124-L167 HydrophobicContact CG-CG 4.38Å; L124-L167 WeakPolarHBondContact O-CA 2.96Å; L124-S170 WeakPolarHBondContact O-CB 3.44Å | ||
| 125 | D | 98.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -97.1 | -34.4 | -178.1 | -60.1 | -73.1 | 0 | 0 | 0 | 112.4 | R42 R43 R123 S170 A173 R174 | R42-D125 WeakPolarHBondContact CA-OD2 3.29Å; R42-D125 HydrophobicContact CB-CB 4.28Å; R42-D125 IonicContact NE-OD1 2.93Å; R42-D125 PolarHBondContact NH2-O 2.94Å; R43-D125 PolarHBondContact N-OD2 3.03Å; R43-D125 WeakPolarHBondContact O-CB 2.89Å; R43-D125 PolarHBondContact O-N 3.43Å; R123-D125 IonicContact CZ-OD1 2.6Å; R123-D125 IonicContact CZ-OD2 3.99Å; R123-D125 VanDerWaalsContact NE-CG 3.35Å; R123-D125 IonicContact NE-OD1 2.9Å; R123-D125 PolarHBondContact NE-OD1 3.05Å; R123-D125 IonicContact NE-OD2 2.8Å; R123-D125 PolarHBondContact NE-OD2 3.28Å; R123-D125 IonicContact NH2-OD1 3.99Å; R123-D125 IonicContact NH2-OD2 3.2Å; R123-D125 PolarHBondContact NH2-OD2 2.93Å; D125-S170 WeakPolarHBondContact OD1-CB 3.49Å; D125-S170 PolarHBondContact OD1-OG 3.23Å; D125-A173 WeakPolarHBondContact O-CA 3.47Å; D125-R174 PolarHBondContact O-N 3.41Å | ||
| 126 | I | 98.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 127.8 | -177.7 | -51.8 | -175.1 | 0 | 0 | 0 | 109.6 | L39 R43 V44 L45 L124 I128 R174 I176 A273 | L39-I126 HydrophobicContact CD1-CD1 4.34Å; L39-I126 HydrophobicContact CD2-CD1 4.25Å; R43-I126 PolarHBondContact O-N 3.48Å; R43-I126 VanDerWaalsContact O-N 3.07Å; V44-I126 CarbonylContact C-O 3.55Å; V44-I126 WeakPolarHBondContact CA-O 3.42Å; V44-I126 HydrophobicContact CB-CB 4.33Å; V44-I126 HydrophobicContact CG1-CB 4.07Å; V44-I126 HydrophobicContact CG1-CG2 4.11Å; V44-I126 HydrophobicContact CG2-CB 4Å; V44-I126 HydrophobicContact CG2-CD1 4.06Å; V44-I126 HydrophobicContact CG2-CG1 4.25Å; L45-I126 PolarHBondContact N-O 3.3Å; L124-I126 WeakPolarHBondContact CD1-O 3.23Å; I126-I128 HydrophobicContact CG2-CG1 4.05Å; I126-R174 CarbonylContact C-O 3.55Å; I126-R174 VanDerWaalsContact CA-O 3.3Å; I126-R174 WeakPolarHBondContact CA-O 3.29Å; I126-R174 HydrophobicContact CB-CG 4.33Å; I126-R174 HydrophobicContact CD1-CG 4.4Å; I126-R174 HydrophobicContact CG1-CG 3.88Å; I126-R174 HydrophobicContact CG2-CG 4.11Å; I126-I176 HydrophobicContact CG2-CD1 3.6Å; I126-A273 HydrophobicContact CD1-CB 4Å; I126-A273 VanDerWaalsContact CD1-O 3.27Å; I126-A273 WeakPolarHBondContact CD1-O 3.46Å; I126-A273 HydrophobicContact CG2-CB 4.16Å |
| 127 | L | 98.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.1 | 167.8 | 173.7 | 58.8 | 0 | 0 | 0 | 109.4 | L45 L124 T160 L163 L167 R174 V175 I176 | L45-L127 HydrophobicContact CB-CD1 4.2Å; L45-L127 HydrophobicContact CD2-CD1 3.33Å; L45-L127 HydrophobicContact CG-CD1 4.33Å; L124-L127 HydrophobicContact CD2-CB 4.16Å; L127-T160 HydrophobicContact CD2-CG2 4.25Å; L127-L163 HydrophobicContact CD1-CD1 4.21Å; L127-L163 HydrophobicContact CD2-CD1 4.16Å; L127-L167 HydrophobicContact CB-CD2 4.49Å; L127-R174 PolarHBondContact N-O 3.08Å; L127-V175 HydrophobicContact CB-CB 4.47Å; L127-V175 HydrophobicContact CB-CG1 4.22Å; L127-V175 HydrophobicContact CB-CG2 4.12Å; L127-V175 HydrophobicContact CD2-CG1 3.99Å; L127-V175 HydrophobicContact CD2-CG2 4.4Å; L127-V175 HydrophobicContact CG-CG1 4.15Å; L127-V175 CarbonylContact O-C 3.54Å; L127-V175 WeakPolarHBondContact O-CA 3.09Å; L127-I176 PolarHBondContact O-N 3.26Å |
| 128 | I | 98.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 100.1 | 170.1 | -54.9 | -178.3 | 0 | 0 | 0 | 108.5 | V44 L45 V46 T47 C57 L61 I126 N130 I176 V178 A273 | V44-I128 HydrophobicContact CG1-CD1 4.42Å; L45-I128 PolarHBondContact O-N 3.39Å; V46-I128 HydrophobicContact CG1-CB 4.24Å; V46-I128 HydrophobicContact CG1-CG2 4.41Å; V46-I128 HydrophobicContact CG2-CB 4.2Å; V46-I128 HydrophobicContact CG2-CD1 4.18Å; V46-I128 HydrophobicContact CG2-CG1 4.42Å; T47-I128 PolarHBondContact N-O 3.35Å; T47-I128 VanDerWaalsContact N-O 3.07Å; T47-I128 PolarHBondContact OG1-O 3.44Å; C57-I128 HydrophobicContact CB-CD1 4.27Å; L61-I128 HydrophobicContact CD1-CD1 3.58Å; I126-I128 HydrophobicContact CG2-CG1 4.05Å; I128-N130 VanDerWaalsContact C-N 3.26Å; I128-N130 HydrophobicContact CG2-CB 3.94Å; I128-N130 PolarHBondContact O-N 3.13Å; I128-I176 CarbonylContact C-O 3.55Å; I128-I176 WeakPolarHBondContact CA-O 3.27Å; I128-I176 HydrophobicContact CG1-CB 4.45Å; I128-I176 HydrophobicContact CG1-CD1 4.24Å; I128-V178 HydrophobicContact CG2-CG2 4.25Å; I128-A273 HydrophobicContact CD1-CB 4.41Å |
| 129 | N | 98.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 79.3 | 171.7 | -75 | -35.6 | 0 | 0 | 0 | 109.3 | T156 T160 I176 T177 V178 | N129-T156 HydrophobicContact CB-CG2 4.07Å; N129-T160 PolarHBondContact ND2-OG1 3.28Å; N129-I176 PolarHBondContact N-O 3.18Å; N129-T177 HydrophobicContact CB-CG2 4.14Å; N129-V178 PolarHBondContact O-N 3.14Å |
| 130 | N | 98.5 | Very high | 92 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -98.4 | -32.3 | -177.8 | 161 | 83.7 | 0 | 0 | 0 | 113.7 | V46 T47 G48 I53 G54 I128 G132 V178 | V46-N130 HydrophobicContact CG1-CB 4.48Å; T47-N130 VanDerWaalsContact O-CB 3.31Å; T47-N130 WeakPolarHBondContact O-CB 3.27Å; T47-N130 PolarHBondContact O-ND2 3.18Å; T47-N130 PolarHBondContact OG1-N 2.89Å; G48-N130 PolarHBondContact O-ND2 3Å; I53-N130 WeakPolarHBondContact CG2-OD1 3.45Å; G54-N130 WeakPolarHBondContact CA-ND2 3.44Å; G54-N130 PolarHBondContact N-ND2 2.81Å; I128-N130 VanDerWaalsContact C-N 3.26Å; I128-N130 HydrophobicContact CG2-CB 3.94Å; I128-N130 PolarHBondContact O-N 3.13Å; N130-G132 PolarHBondContact O-N 3.41Å; N130-V178 HydrophobicContact CB-CB 4.46Å; N130-V178 HydrophobicContact CB-CG2 3.87Å | ||
| 131 | A | 96.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | trans | -54.4 | 141.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T47 L103 | T47-A131 PolarHBondContact O-N 2.79Å; T47-A131 VanDerWaalsContact O-N 3.11Å; T47-A131 WeakPolarHBondContact OG1-CB 3.2Å; T47-A131 PolarHBondContact OG1-N 2.86Å; L103-A131 HydrophobicContact CD1-CB 3.5Å | ||
| 132 | G | 94.1 | Very high | 94.7 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | trans | -171 | 161.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N130 N152 | N130-G132 PolarHBondContact O-N 3.41Å; G132-N152 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 133 | C | 93.5 | Very high | 95.3 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | trans | -134.9 | 156.4 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | N148 T151 N152 Y208 | C133-N148 PolarHBondContact O-OD1 2.78Å; C133-T151 HydrophobicContact CB-CG2 4.49Å; C133-T151 VanDerWaalsContact SG-CB 3.57Å; C133-N152 PolarHBondContact N-OD1 3.11Å; C133-N152 PolarHBondContact O-ND2 3.03Å; C133-N152 PolarHBondContact O-OD1 2.76Å; C133-Y208 VanDerWaalsContact O-CD2 3.23Å; C133-Y208 WeakPolarHBondContact O-CD2 3.46Å | ||
| 134 | M | 93.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | trans | -131.9 | 99.8 | 169.5 | 179.9 | -170.9 | -67.2 | 0 | 0 | 107.4 | N148 Y208 S247 M248 | M134-N148 VanDerWaalsContact CA-OD1 3.28Å; M134-N148 WeakPolarHBondContact CA-OD1 3.48Å; M134-Y208 HydrophobicContact CB-CD2 3.99Å; M134-Y208 HydrophobicContact CB-CG 4.24Å; M134-Y208 HydrophobicContact CE-CD1 3.25Å; M134-Y208 HydrophobicContact CE-CD2 4.13Å; M134-Y208 HydrophobicContact CE-CE1 3.84Å; M134-Y208 HydrophobicContact CE-CG 3.41Å; M134-Y208 VanDerWaalsContact CE-CG 3.41Å; M134-Y208 HydrophobicContact CG-CG 4.34Å; M134-S247 WeakPolarHBondContact O-CB 3.46Å; M134-S247 PolarHBondContact O-OG 3.02Å; M134-M248 HydrophobicContact CE-CE 3.95Å; M134-M248 HydrophobicContact CE-CG 4.18Å; M134-M248 HydrophobicContact CE-SD 3.73Å; M134-M248 HydrophobicContact SD-CE 4.4Å; M134-M248 HydrophobicContact SD-CG 3.52Å; M134-M248 VanDerWaalsContact SD-CG 3.52Å; M134-M248 HydrophobicContact SD-SD 3.92Å | ||
| 135 | I | 92.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | trans | -100.1 | 122.3 | 177.7 | -57.6 | 170.5 | 0 | 0 | 0 | 106.9 | E137 A147 N148 F202 | I135-E137 HydrophobicContact CG2-CB 4.43Å; I135-E137 WeakPolarHBondContact CG2-O 3.19Å; I135-A147 HydrophobicContact CD1-CB 3.81Å; I135-N148 PolarHBondContact N-OD1 2.96Å; I135-N148 PolarHBondContact O-ND2 2.92Å; I135-F202 WeakPolarHBondContact O-CE1 3.33Å | ||
| 136 | N | 91.3 | Very high | 95.1 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -84.8 | -13.7 | -176.3 | -70.1 | -34.7 | 0 | 0 | 0 | 113.7 | F202 S247 | N136-F202 WeakPolarHBondContact O-CD1 3.35Å; N136-F202 WeakPolarHBondContact O-CE1 3.14Å; N136-S247 PolarHBondContact ND2-O 3.12Å | ||
| 137 | E | 91.4 | Very high | 94.9 | Very high | 137 Ų | 137 | 44.5 Ų | 44.5 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -92.5 | 132.3 | 173.4 | -175.1 | -177.6 | -171.6 | 0 | 0 | 110.2 | I135 K139 | I135-E137 HydrophobicContact CG2-CB 4.43Å; I135-E137 WeakPolarHBondContact CG2-O 3.19Å; E137-K139 PolarHBondContact O-N 3.06Å |
| 138 | Y | 93.7 | Very high | 94.8 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | trans | -69.6 | 122.2 | 171.5 | 179.7 | -99.4 | 0 | 0 | 0 | 109.8 | T140 E146 T196 P199 F202 | Y138-T140 HydrophobicContact CE1-CG2 4.32Å; Y138-E146 HydrophobicContact CD2-CG 4.27Å; Y138-E146 HydrophobicContact CE2-CG 4.05Å; Y138-T196 HydrophobicContact CE2-CG2 4.38Å; Y138-P199 HydrophobicContact CD1-CB 3.73Å; Y138-P199 HydrophobicContact CD2-CB 4.42Å; Y138-P199 HydrophobicContact CE1-CB 3.64Å; Y138-P199 HydrophobicContact CE2-CB 4.31Å; Y138-P199 HydrophobicContact CG-CB 4.12Å; Y138-F202 HydrophobicContact CD2-CB 4.43Å; Y138-F202 AromaticContact CD2-CD2 3.47Å; Y138-F202 HydrophobicContact CD2-CD2 3.47Å; Y138-F202 VanDerWaalsContact CD2-CD2 3.47Å; Y138-F202 AromaticContact CD2-CE2 3.84Å; Y138-F202 HydrophobicContact CD2-CE2 3.84Å; Y138-F202 HydrophobicContact CD2-CG 4.1Å; Y138-F202 HydrophobicContact CE2-CD2 4.47Å; Y138-F202 HydrophobicContact CG-CB 4.47Å; Y138-F202 HydrophobicContact CG-CD2 4.15Å; Y138-F202 HydrophobicContact CG-CG 4.35Å | ||
| 139 | K | 93.7 | Very high | 94.7 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | trans | -151.6 | 151.4 | 172.2 | 68.1 | -172.3 | -174.7 | -176.9 | 0 | 111.1 | E137 A147 | E137-K139 PolarHBondContact O-N 3.06Å; K139-A147 HydrophobicContact CD-CB 4.34Å; K139-A147 HydrophobicContact CG-CB 3.7Å; K139-A147 PolarHBondContact O-N 3.27Å; K139-A147 VanDerWaalsContact O-N 3.07Å | ||
| 140 | T | 94.7 | Very high | 94.7 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -118.5 | 153.1 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | Y138 L145 | Y138-T140 HydrophobicContact CE1-CG2 4.32Å; T140-L145 CarbonylContact C-O 3.54Å; T140-L145 WeakPolarHBondContact CA-O 3.48Å |
| 141 | D | 94 | Very high | 94.7 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | trans | -82.2 | -174.8 | 171 | 80.2 | -14.9 | 0 | 0 | 0 | 111.9 | N143 G144 L145 | D141-N143 PolarHBondContact O-N 3.22Å; D141-N143 WeakPolarHBondContact OD1-CA 3.39Å; D141-N143 WeakPolarHBondContact OD1-CB 3.4Å; D141-N143 PolarHBondContact OD1-N 3.34Å; D141-N143 PolarHBondContact OD2-ND2 3.16Å; D141-N143 VanDerWaalsContact OD2-ND2 3.11Å; D141-G144 PolarHBondContact O-N 3.25Å; D141-G144 PolarHBondContact OD1-N 2.77Å; D141-G144 VanDerWaalsContact OD1-N 3.1Å; D141-L145 PolarHBondContact N-O 2.78Å; D141-L145 WeakPolarHBondContact OD1-CB 3.22Å; D141-L145 PolarHBondContact OD1-N 3Å | ||
| 142 | E | 93.8 | Very high | 94.7 | Very high | 142 Ų | 142 | 44 Ų | 44 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.8 | 176.6 | 63.8 | -86.7 | -162.8 | 0 | 0 | 114.5 | K105 | K105-E142 VanDerWaalsContact NZ-CD 3.26Å; K105-E142 IonicContact NZ-OE1 2.72Å; K105-E142 PolarHBondContact NZ-OE1 3.26Å; K105-E142 IonicContact NZ-OE2 2.98Å; K105-E142 PolarHBondContact NZ-OE2 2.98Å |
| 143 | N | 93 | Very high | 94.9 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.1 | 176.6 | -54.6 | -69.2 | 0 | 0 | 0 | 112.2 | D141 L145 F323 | D141-N143 PolarHBondContact O-N 3.22Å; D141-N143 WeakPolarHBondContact OD1-CA 3.39Å; D141-N143 WeakPolarHBondContact OD1-CB 3.4Å; D141-N143 PolarHBondContact OD1-N 3.34Å; D141-N143 PolarHBondContact OD2-ND2 3.16Å; D141-N143 VanDerWaalsContact OD2-ND2 3.11Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 HydrophobicContact CB-CD1 4.1Å; N143-L145 HydrophobicContact CB-CG 4Å; N143-L145 PolarHBondContact O-N 3.46Å; N143-F323 HydrophobicContact CB-CZ 4.13Å |
| 144 | G | 94.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | trans | 75.4 | 14 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D141 | D141-G144 PolarHBondContact O-N 3.25Å; D141-G144 PolarHBondContact OD1-N 2.77Å; D141-G144 VanDerWaalsContact OD1-N 3.1Å | ||
| 145 | L | 96.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -81.6 | 126.8 | 179.8 | -58.5 | 171.5 | 0 | 0 | 0 | 110.2 | P106 T140 D141 N143 A147 F149 A150 L154 M194 I319 F323 | P106-L145 HydrophobicContact CG-CD1 3.95Å; T140-L145 CarbonylContact C-O 3.54Å; T140-L145 WeakPolarHBondContact CA-O 3.48Å; D141-L145 PolarHBondContact N-O 2.78Å; D141-L145 WeakPolarHBondContact OD1-CB 3.22Å; D141-L145 PolarHBondContact OD1-N 3Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 HydrophobicContact CB-CD1 4.1Å; N143-L145 HydrophobicContact CB-CG 4Å; N143-L145 PolarHBondContact O-N 3.46Å; L145-A147 PolarHBondContact O-N 3.31Å; L145-F149 HydrophobicContact CD2-CE1 4.45Å; L145-A150 HydrophobicContact CB-CB 4.02Å; L145-L154 HydrophobicContact CD1-CD2 3.58Å; L145-L154 HydrophobicContact CD2-CD2 3.83Å; L145-L154 HydrophobicContact CG-CD2 4.34Å; L145-M194 HydrophobicContact CD2-SD 3.89Å; L145-I319 HydrophobicContact CD2-CG2 4.04Å; L145-F323 HydrophobicContact CD1-CE2 4.19Å; L145-F323 HydrophobicContact CD1-CZ 3.97Å | ||
| 146 | E | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 134.2 | 172.9 | -172.3 | -77.1 | 134.2 | 0 | 0 | 110.2 | Y138 N148 F149 A150 T196 F202 | Y138-E146 HydrophobicContact CD2-CG 4.27Å; Y138-E146 HydrophobicContact CE2-CG 4.05Å; E146-N148 VanDerWaalsContact CD-N 3.3Å; E146-N148 PolarHBondContact O-N 3.39Å; E146-N148 WeakPolarHBondContact OE1-CB 3.46Å; E146-N148 PolarHBondContact OE1-N 3.35Å; E146-N148 PolarHBondContact OE1-ND2 3.45Å; E146-N148 WeakPolarHBondContact OE2-CB 3.31Å; E146-N148 PolarHBondContact OE2-N 2.85Å; E146-F149 HydrophobicContact CB-CB 4.26Å; E146-F149 WeakPolarHBondContact O-CB 3.38Å; E146-F149 PolarHBondContact O-N 2.96Å; E146-F149 VanDerWaalsContact O-N 3.16Å; E146-F149 WeakPolarHBondContact OE2-CB 3.37Å; E146-F149 PolarHBondContact OE2-N 3.07Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 3.36Å; E146-T196 HydrophobicContact CB-CG2 4.05Å; E146-F202 HydrophobicContact CG-CE2 4.26Å |
| 147 | A | 95.7 | Very high | 96 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I135 K139 L145 T151 | I135-A147 HydrophobicContact CD1-CB 3.81Å; K139-A147 HydrophobicContact CD-CB 4.34Å; K139-A147 HydrophobicContact CG-CB 3.7Å; K139-A147 PolarHBondContact O-N 3.27Å; K139-A147 VanDerWaalsContact O-N 3.07Å; L145-A147 PolarHBondContact O-N 3.31Å; A147-T151 PolarHBondContact O-N 3.06Å; A147-T151 PolarHBondContact O-OG1 2.77Å; A147-T151 VanDerWaalsContact O-OG1 3.07Å |
| 148 | N | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.4 | -46.3 | 175.5 | -64.7 | -86.2 | 0 | 0 | 0 | 110.6 | C133 M134 I135 E146 A150 T151 N152 V207 N211 | C133-N148 PolarHBondContact O-OD1 2.78Å; M134-N148 VanDerWaalsContact CA-OD1 3.28Å; M134-N148 WeakPolarHBondContact CA-OD1 3.48Å; I135-N148 PolarHBondContact N-OD1 2.96Å; I135-N148 PolarHBondContact O-ND2 2.92Å; E146-N148 VanDerWaalsContact CD-N 3.3Å; E146-N148 PolarHBondContact O-N 3.39Å; E146-N148 WeakPolarHBondContact OE1-CB 3.46Å; E146-N148 PolarHBondContact OE1-N 3.35Å; E146-N148 PolarHBondContact OE1-ND2 3.45Å; E146-N148 WeakPolarHBondContact OE2-CB 3.31Å; E146-N148 PolarHBondContact OE2-N 2.85Å; N148-A150 PolarHBondContact O-N 2.95Å; N148-T151 PolarHBondContact O-N 3.42Å; N148-N152 WeakPolarHBondContact O-CB 3.32Å; N148-N152 VanDerWaalsContact O-CG 3.25Å; N148-N152 PolarHBondContact O-N 3.08Å; N148-N152 PolarHBondContact O-ND2 3.12Å; N148-V207 HydrophobicContact CB-CG1 3.88Å; N148-N211 WeakPolarHBondContact CB-OD1 3.45Å |
| 149 | F | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.1 | 174.6 | -93.7 | 0 | 0 | 0 | 112 | L145 E146 T151 T153 L154 P193 M194 L316 I319 | L145-F149 HydrophobicContact CD2-CE1 4.45Å; E146-F149 HydrophobicContact CB-CB 4.26Å; E146-F149 WeakPolarHBondContact O-CB 3.38Å; E146-F149 PolarHBondContact O-N 2.96Å; E146-F149 VanDerWaalsContact O-N 3.16Å; E146-F149 WeakPolarHBondContact OE2-CB 3.37Å; E146-F149 PolarHBondContact OE2-N 3.07Å; F149-T151 VanDerWaalsContact C-N 3.29Å; F149-T151 PolarHBondContact O-N 2.8Å; F149-T153 HydrophobicContact CD2-CG2 4.11Å; F149-T153 HydrophobicContact CE2-CG2 3.69Å; F149-T153 HydrophobicContact CZ-CG2 4.41Å; F149-T153 PolarHBondContact O-N 3.19Å; F149-L154 HydrophobicContact CD1-CB 4.21Å; F149-L154 HydrophobicContact CE1-CB 3.76Å; F149-L154 HydrophobicContact CE1-CD2 4.3Å; F149-L154 HydrophobicContact CE1-CG 4.44Å; F149-L154 HydrophobicContact CZ-CB 4.25Å; F149-L154 PolarHBondContact O-N 2.76Å; F149-P193 VanDerWaalsContact CD2-O 3.28Å; F149-P193 WeakPolarHBondContact CD2-O 3.39Å; F149-P193 HydrophobicContact CE2-CB 3.69Å; F149-P193 HydrophobicContact CZ-CB 4.2Å; F149-M194 HydrophobicContact CD1-CB 4.35Å; F149-M194 HydrophobicContact CD1-CG 3.66Å; F149-M194 HydrophobicContact CD1-SD 4.18Å; F149-M194 HydrophobicContact CD2-CG 4.29Å; F149-M194 HydrophobicContact CE1-CG 3.57Å; F149-M194 HydrophobicContact CE1-SD 4.07Å; F149-M194 HydrophobicContact CE2-CG 4.22Å; F149-M194 HydrophobicContact CG-CB 4.3Å; F149-M194 HydrophobicContact CG-CG 4.02Å; F149-M194 HydrophobicContact CZ-CG 3.86Å; F149-L316 HydrophobicContact CE2-CD1 4.19Å; F149-L316 HydrophobicContact CZ-CD1 3.68Å; F149-I319 HydrophobicContact CE1-CG2 4.05Å; F149-I319 HydrophobicContact CZ-CD1 4.16Å; F149-I319 HydrophobicContact CZ-CG2 4.35Å |
| 150 | A | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -54.6 | -46.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L145 E146 N148 G155 | L145-A150 HydrophobicContact CB-CB 4.02Å; E146-A150 WeakPolarHBondContact O-CB 3.39Å; E146-A150 PolarHBondContact O-N 3.36Å; N148-A150 PolarHBondContact O-N 2.95Å; A150-G155 WeakPolarHBondContact O-CA 3.36Å; A150-G155 PolarHBondContact O-N 2.83Å |
| 151 | T | 97.6 | Very high | 97 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 14% | 0.135 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -78 | -54.7 | -179 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | L103 C133 A147 N148 F149 | L103-T151 HydrophobicContact CB-CG2 4.25Å; C133-T151 HydrophobicContact CB-CG2 4.49Å; C133-T151 VanDerWaalsContact SG-CB 3.57Å; A147-T151 PolarHBondContact O-N 3.06Å; A147-T151 PolarHBondContact O-OG1 2.77Å; A147-T151 VanDerWaalsContact O-OG1 3.07Å; N148-T151 PolarHBondContact O-N 3.42Å; F149-T151 VanDerWaalsContact C-N 3.29Å; F149-T151 PolarHBondContact O-N 2.8Å |
| 152 | N | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -79.8 | -35.1 | -165.3 | -63 | -28.2 | 0 | 0 | 0 | 112.3 | G132 C133 N148 T156 N211 Q215 | G132-N152 WeakPolarHBondContact CA-OD1 3.35Å; C133-N152 PolarHBondContact N-OD1 3.11Å; C133-N152 PolarHBondContact O-ND2 3.03Å; C133-N152 PolarHBondContact O-OD1 2.76Å; N148-N152 WeakPolarHBondContact O-CB 3.32Å; N148-N152 VanDerWaalsContact O-CG 3.25Å; N148-N152 PolarHBondContact O-N 3.08Å; N148-N152 PolarHBondContact O-ND2 3.12Å; N152-T156 WeakPolarHBondContact O-CB 3.44Å; N152-T156 PolarHBondContact O-OG1 3.11Å; N152-T156 VanDerWaalsContact O-OG1 3.06Å; N152-N211 HydrophobicContact CB-CB 3.65Å; N152-N211 PolarHBondContact ND2-OD1 3Å; N152-Q215 PolarHBondContact O-NE2 2.9Å |
| 153 | T | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -109.6 | -62.1 | -174.1 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | F149 T156 Y157 Q214 M218 F312 L316 | F149-T153 HydrophobicContact CD2-CG2 4.11Å; F149-T153 HydrophobicContact CE2-CG2 3.69Å; F149-T153 HydrophobicContact CZ-CG2 4.41Å; F149-T153 PolarHBondContact O-N 3.19Å; T153-T156 PolarHBondContact O-N 2.84Å; T153-Y157 WeakPolarHBondContact O-CB 3.46Å; T153-Y157 PolarHBondContact O-N 2.99Å; T153-Q214 HydrophobicContact CG2-CB 4.01Å; T153-Q214 PolarHBondContact OG1-OE1 3.47Å; T153-M218 HydrophobicContact CG2-CE 4.08Å; T153-M218 HydrophobicContact CG2-SD 4.15Å; T153-F312 HydrophobicContact CG2-CZ 4.22Å; T153-L316 HydrophobicContact CG2-CD1 4.07Å; T153-L316 HydrophobicContact CG2-CD2 4.1Å |
| 154 | L | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | I | π-helix | trans | -66.2 | -48.3 | -173.2 | -174.5 | 64.9 | 0 | 0 | 0 | 112.1 | P106 L145 F149 T156 Y157 I158 L316 I319 A320 F323 | P106-L154 HydrophobicContact CB-CD2 4.21Å; P106-L154 HydrophobicContact CG-CD2 4.41Å; L145-L154 HydrophobicContact CD1-CD2 3.58Å; L145-L154 HydrophobicContact CD2-CD2 3.83Å; L145-L154 HydrophobicContact CG-CD2 4.34Å; F149-L154 HydrophobicContact CD1-CB 4.21Å; F149-L154 HydrophobicContact CE1-CB 3.76Å; F149-L154 HydrophobicContact CE1-CD2 4.3Å; F149-L154 HydrophobicContact CE1-CG 4.44Å; F149-L154 HydrophobicContact CZ-CB 4.25Å; F149-L154 PolarHBondContact O-N 2.76Å; L154-T156 VanDerWaalsContact C-N 3.32Å; L154-T156 PolarHBondContact O-N 3.21Å; L154-Y157 WeakPolarHBondContact O-CB 3.36Å; L154-Y157 PolarHBondContact O-N 2.88Å; L154-I158 HydrophobicContact CD1-CD1 3.88Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CD2-CD1 4.4Å; L154-I158 HydrophobicContact CG-CD1 3.79Å; L154-I158 HydrophobicContact CG-CG1 4.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.09Å; L154-L316 HydrophobicContact CD1-CD1 4Å; L154-I319 HydrophobicContact CD1-CG2 4.18Å; L154-I319 HydrophobicContact CD2-CG2 4.29Å; L154-A320 HydrophobicContact CD1-CB 3.79Å; L154-F323 HydrophobicContact CD2-CD2 4.31Å; L154-F323 HydrophobicContact CD2-CE2 4.04Å |
| 155 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -59.8 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L103 A150 L159 | L103-G155 WeakPolarHBondContact O-CA 3.27Å; A150-G155 WeakPolarHBondContact O-CA 3.36Å; A150-G155 PolarHBondContact O-N 2.83Å; G155-L159 WeakPolarHBondContact O-CB 3.48Å; G155-L159 PolarHBondContact O-N 3.03Å |
| 156 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | N129 N152 T153 L154 T160 M218 W222 | N129-T156 HydrophobicContact CB-CG2 4.07Å; N152-T156 WeakPolarHBondContact O-CB 3.44Å; N152-T156 PolarHBondContact O-OG1 3.11Å; N152-T156 VanDerWaalsContact O-OG1 3.06Å; T153-T156 PolarHBondContact O-N 2.84Å; L154-T156 VanDerWaalsContact C-N 3.32Å; L154-T156 PolarHBondContact O-N 3.21Å; T156-T160 WeakPolarHBondContact O-CB 3.28Å; T156-T160 PolarHBondContact O-N 3.31Å; T156-T160 PolarHBondContact O-OG1 2.92Å; T156-M218 HydrophobicContact CG2-CE 4.29Å; T156-W222 HydrophobicContact CG2-CH2 4.43Å |
| 157 | Y | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 8.1 Ų | 8.1 | 8% | 0.075 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62 | -55.3 | 177.3 | 177.9 | -98.4 | 0 | 0 | 0 | 111.7 | T153 L154 L159 T160 E161 M218 W222 M313 L316 A320 L324 | T153-Y157 WeakPolarHBondContact O-CB 3.46Å; T153-Y157 PolarHBondContact O-N 2.99Å; L154-Y157 WeakPolarHBondContact O-CB 3.36Å; L154-Y157 PolarHBondContact O-N 2.88Å; Y157-L159 VanDerWaalsContact C-N 3.32Å; Y157-L159 PolarHBondContact O-N 3.36Å; Y157-T160 PolarHBondContact O-N 3.38Å; Y157-E161 HydrophobicContact CD1-CG 4.38Å; Y157-E161 HydrophobicContact CD2-CG 4.29Å; Y157-E161 HydrophobicContact CE1-CG 4.03Å; Y157-E161 HydrophobicContact CE2-CG 3.92Å; Y157-E161 HydrophobicContact CG-CG 4.49Å; Y157-E161 WeakPolarHBondContact O-CB 3.28Å; Y157-E161 WeakPolarHBondContact O-CG 2.9Å; Y157-E161 PolarHBondContact O-N 3.17Å; Y157-M218 HydrophobicContact CD2-SD 3.96Å; Y157-M218 HydrophobicContact CG-SD 4.34Å; Y157-W222 AromaticContact CD2-CZ2 3.63Å; Y157-W222 HydrophobicContact CD2-CZ2 3.63Å; Y157-W222 HydrophobicContact CE2-CZ2 4.34Å; Y157-W222 HydrophobicContact CG-CZ2 4.36Å; Y157-M313 HydrophobicContact CD2-CE 4.34Å; Y157-M313 HydrophobicContact CE2-CE 3.78Å; Y157-L316 HydrophobicContact CD1-CD2 4.4Å; Y157-L316 HydrophobicContact CD1-CG 4.17Å; Y157-L316 HydrophobicContact CD2-CD2 3.51Å; Y157-L316 HydrophobicContact CD2-CG 4.07Å; Y157-L316 HydrophobicContact CE1-CG 4.5Å; Y157-L316 HydrophobicContact CE2-CD2 4.12Å; Y157-L316 HydrophobicContact CE2-CG 4.41Å; Y157-L316 HydrophobicContact CG-CD2 3.68Å; Y157-L316 HydrophobicContact CG-CG 3.95Å; Y157-A320 HydrophobicContact CD1-CB 3.8Å; Y157-A320 HydrophobicContact CE1-CB 3.62Å; Y157-L324 HydrophobicContact CE1-CD1 4.19Å |
| 158 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | -178.1 | -68.5 | 173.4 | 0 | 0 | 0 | 111 | P106 V109 R110 L154 S162 A320 F323 L324 | P106-I158 HydrophobicContact CB-CD1 3.37Å; V109-I158 HydrophobicContact CB-CG2 4.21Å; V109-I158 HydrophobicContact CG1-CB 4.2Å; V109-I158 HydrophobicContact CG1-CG2 3.92Å; R110-I158 HydrophobicContact CB-CG2 3.83Å; L154-I158 HydrophobicContact CD1-CD1 3.88Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CD2-CD1 4.4Å; L154-I158 HydrophobicContact CG-CD1 3.79Å; L154-I158 HydrophobicContact CG-CG1 4.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.09Å; I158-S162 WeakPolarHBondContact O-CB 3.42Å; I158-S162 PolarHBondContact O-N 3.21Å; I158-S162 PolarHBondContact O-OG 3.12Å; I158-A320 HydrophobicContact CD1-CB 4.44Å; I158-A320 HydrophobicContact CG1-CB 4.17Å; I158-F323 HydrophobicContact CD1-CB 3.94Å; I158-F323 HydrophobicContact CD1-CD2 4.22Å; I158-F323 HydrophobicContact CD1-CG 4.41Å; I158-L324 HydrophobicContact CG1-CD2 4.29Å; I158-L324 HydrophobicContact CG2-CD2 4.01Å |
| 159 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.8 | -51 | 178 | -177.9 | 63.1 | 0 | 0 | 0 | 110.8 | L45 T47 L103 V109 F112 G155 Y157 S162 L163 | L45-L159 HydrophobicContact CD2-CD2 4.42Å; T47-L159 HydrophobicContact CG2-CD2 3.41Å; T47-L159 VanDerWaalsContact CG2-CD2 3.41Å; L103-L159 HydrophobicContact CD2-CD2 4.17Å; V109-L159 HydrophobicContact CG1-CB 3.58Å; V109-L159 HydrophobicContact CG1-CD1 4.17Å; V109-L159 HydrophobicContact CG1-CG 4.45Å; F112-L159 HydrophobicContact CD1-CD1 3.66Å; F112-L159 HydrophobicContact CE1-CD1 3.82Å; G155-L159 WeakPolarHBondContact O-CB 3.48Å; G155-L159 PolarHBondContact O-N 3.03Å; Y157-L159 VanDerWaalsContact C-N 3.32Å; Y157-L159 PolarHBondContact O-N 3.36Å; L159-S162 PolarHBondContact O-N 3.05Å; L159-L163 HydrophobicContact CD1-CD1 3.74Å; L159-L163 HydrophobicContact CD1-CG 4.26Å; L159-L163 HydrophobicContact CG-CD1 3.83Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 3.24Å |
| 160 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | -176.6 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | L127 N129 T156 Y157 S162 L163 I164 V175 W222 F231 | L127-T160 HydrophobicContact CD2-CG2 4.25Å; N129-T160 PolarHBondContact ND2-OG1 3.28Å; T156-T160 WeakPolarHBondContact O-CB 3.28Å; T156-T160 PolarHBondContact O-N 3.31Å; T156-T160 PolarHBondContact O-OG1 2.92Å; Y157-T160 PolarHBondContact O-N 3.38Å; T160-S162 VanDerWaalsContact C-N 3.27Å; T160-S162 PolarHBondContact O-N 3.5Å; T160-L163 PolarHBondContact O-N 3.42Å; T160-I164 HydrophobicContact CG2-CD1 4.48Å; T160-I164 WeakPolarHBondContact O-CG1 3.31Å; T160-I164 PolarHBondContact O-N 3.44Å; T160-I164 VanDerWaalsContact O-N 3.08Å; T160-V175 HydrophobicContact CG2-CG1 4.44Å; T160-W222 HydrophobicContact CG2-CD2 4.12Å; T160-W222 HydrophobicContact CG2-CE3 4.07Å; T160-W222 HydrophobicContact CG2-CH2 3.99Å; T160-W222 HydrophobicContact CG2-CZ2 4.01Å; T160-W222 HydrophobicContact CG2-CZ3 4.02Å; T160-F231 HydrophobicContact CG2-CE1 4.06Å |
| 161 | E | 97.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.4 | -39.4 | 176.7 | -72 | -64.5 | 159.1 | 0 | 0 | 112.2 | Y157 L163 I164 W222 Y226 | Y157-E161 HydrophobicContact CD1-CG 4.38Å; Y157-E161 HydrophobicContact CD2-CG 4.29Å; Y157-E161 HydrophobicContact CE1-CG 4.03Å; Y157-E161 HydrophobicContact CE2-CG 3.92Å; Y157-E161 HydrophobicContact CG-CG 4.49Å; Y157-E161 WeakPolarHBondContact O-CB 3.28Å; Y157-E161 WeakPolarHBondContact O-CG 2.9Å; Y157-E161 PolarHBondContact O-N 3.17Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.3Å; E161-I164 PolarHBondContact O-N 2.96Å; E161-W222 PolarHBondContact OE1-NE1 2.82Å; E161-Y226 PolarHBondContact OE2-OH 2.92Å |
| 162 | S | 97.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.5 | -22.7 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 113.4 | R110 I158 L159 T160 | R110-S162 WeakPolarHBondContact CD-OG 3.13Å; R110-S162 PolarHBondContact NH1-OG 2.91Å; I158-S162 WeakPolarHBondContact O-CB 3.42Å; I158-S162 PolarHBondContact O-N 3.21Å; I158-S162 PolarHBondContact O-OG 3.12Å; L159-S162 PolarHBondContact O-N 3.05Å; T160-S162 VanDerWaalsContact C-N 3.27Å; T160-S162 PolarHBondContact O-N 3.5Å |
| 163 | L | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -93.9 | -8.6 | 178 | -69.4 | 173.3 | 0 | 0 | 0 | 113.5 | L45 F116 L124 L127 L159 T160 E161 P165 A166 L167 | L45-L163 HydrophobicContact CD1-CD1 4.2Å; F116-L163 HydrophobicContact CB-CD2 3.87Å; F116-L163 HydrophobicContact CD1-CD2 3.65Å; F116-L163 HydrophobicContact CE1-CD2 4.45Å; F116-L163 HydrophobicContact CG-CD2 3.83Å; L124-L163 HydrophobicContact CD2-CB 4.21Å; L124-L163 HydrophobicContact CD2-CD1 3.85Å; L124-L163 HydrophobicContact CD2-CD2 4.29Å; L124-L163 HydrophobicContact CD2-CG 4.35Å; L127-L163 HydrophobicContact CD1-CD1 4.21Å; L127-L163 HydrophobicContact CD2-CD1 4.16Å; L159-L163 HydrophobicContact CD1-CD1 3.74Å; L159-L163 HydrophobicContact CD1-CG 4.26Å; L159-L163 HydrophobicContact CG-CD1 3.83Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 3.24Å; T160-L163 PolarHBondContact O-N 3.42Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 3.3Å; L163-P165 VanDerWaalsContact C-CD 3.47Å; L163-P165 VanDerWaalsContact C-N 3.32Å; L163-A166 WeakPolarHBondContact O-CB 3.45Å; L163-A166 PolarHBondContact O-N 3.17Å; L163-L167 HydrophobicContact CB-CD1 4.33Å; L163-L167 WeakPolarHBondContact O-CG 3.5Å; L163-L167 PolarHBondContact O-N 2.93Å |
| 164 | I | 97.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -50 | -45.5 | 176.8 | -66 | -59.5 | 0 | 0 | 0 | 112.6 | T160 E161 A166 L167 K168 Y226 I229 F231 | T160-I164 HydrophobicContact CG2-CD1 4.48Å; T160-I164 WeakPolarHBondContact O-CG1 3.31Å; T160-I164 PolarHBondContact O-N 3.44Å; T160-I164 VanDerWaalsContact O-N 3.08Å; E161-I164 PolarHBondContact O-N 2.96Å; I164-A166 VanDerWaalsContact C-N 3.29Å; I164-A166 PolarHBondContact O-N 2.98Å; I164-L167 HydrophobicContact CD1-CD1 4.29Å; I164-L167 PolarHBondContact O-N 3.41Å; I164-K168 HydrophobicContact CG2-CD 3.94Å; I164-K168 HydrophobicContact CG2-CG 4.25Å; I164-K168 WeakPolarHBondContact O-CB 3.11Å; I164-K168 WeakPolarHBondContact O-CG 3.18Å; I164-K168 PolarHBondContact O-N 2.82Å; I164-Y226 HydrophobicContact CD1-CD2 3.54Å; I164-Y226 HydrophobicContact CD1-CE2 3.65Å; I164-Y226 HydrophobicContact CD1-CG 4.09Å; I164-Y226 HydrophobicContact CG1-CD2 4.1Å; I164-Y226 HydrophobicContact CG1-CE2 3.7Å; I164-Y226 HydrophobicContact CG2-CD1 3.98Å; I164-Y226 HydrophobicContact CG2-CE1 3.86Å; I164-Y226 HydrophobicContact CG2-CE2 4.48Å; I164-Y226 HydrophobicContact CG2-CG 4.36Å; I164-I229 HydrophobicContact CD1-CD1 3.96Å; I164-I229 HydrophobicContact CG2-CD1 4.4Å; I164-F231 HydrophobicContact CD1-CE1 4.5Å; I164-F231 HydrophobicContact CD1-CZ 3.85Å |
| 165 | P | 95.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 24.5 Ų | 24.5 | 45% | 0.448 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.2 | -34.3 | 178.4 | -22.1 | 33.9 | 0 | 0 | 0 | 113.5 | A117 L163 | A117-P165 HydrophobicContact CB-CB 4.29Å; L163-P165 VanDerWaalsContact C-CD 3.47Å; L163-P165 VanDerWaalsContact C-N 3.32Å |
| 166 | A | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.2 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F116 A117 S122 L124 L163 I164 K169 | F116-A166 HydrophobicContact CD1-CB 4.16Å; F116-A166 HydrophobicContact CE1-CB 4.32Å; A117-A166 HydrophobicContact CB-CB 4.13Å; S122-A166 WeakPolarHBondContact O-CB 3.29Å; L124-A166 HydrophobicContact CB-CB 3.91Å; L124-A166 PolarHBondContact N-O 2.76Å; L163-A166 WeakPolarHBondContact O-CB 3.45Å; L163-A166 PolarHBondContact O-N 3.17Å; I164-A166 VanDerWaalsContact C-N 3.29Å; I164-A166 PolarHBondContact O-N 2.98Å; A166-K169 WeakPolarHBondContact O-CB 3.4Å; A166-K169 PolarHBondContact O-N 3.44Å |
| 167 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.8 | -73.1 | 161.8 | 0 | 0 | 0 | 111.3 | L124 L127 L163 I164 K169 S170 A173 V175 I229 | L124-L167 HydrophobicContact CB-CD2 4.14Å; L124-L167 HydrophobicContact CB-CG 4.3Å; L124-L167 HydrophobicContact CD2-CD2 3.93Å; L124-L167 HydrophobicContact CD2-CG 4.12Å; L124-L167 HydrophobicContact CG-CD2 3.87Å; L124-L167 HydrophobicContact CG-CG 4.38Å; L124-L167 WeakPolarHBondContact O-CA 2.96Å; L127-L167 HydrophobicContact CB-CD2 4.49Å; L163-L167 HydrophobicContact CB-CD1 4.33Å; L163-L167 WeakPolarHBondContact O-CG 3.5Å; L163-L167 PolarHBondContact O-N 2.93Å; I164-L167 HydrophobicContact CD1-CD1 4.29Å; I164-L167 PolarHBondContact O-N 3.41Å; L167-K169 PolarHBondContact O-N 3.23Å; L167-K169 VanDerWaalsContact O-N 3.09Å; L167-S170 WeakPolarHBondContact O-CB 3.29Å; L167-S170 PolarHBondContact O-N 3.22Å; L167-A173 HydrophobicContact CB-CB 4.3Å; L167-A173 HydrophobicContact CD2-CB 4.37Å; L167-A173 WeakPolarHBondContact O-CB 3.25Å; L167-V175 HydrophobicContact CD1-CG2 3.68Å; L167-V175 HydrophobicContact CD2-CG2 4.19Å; L167-I229 HydrophobicContact CB-CD1 3.51Å; L167-I229 HydrophobicContact CB-CG1 4.06Å; L167-I229 HydrophobicContact CD1-CD1 4.38Å |
| 168 | K | 96.5 | Very high | 97.5 | Very high | 112 Ų | 112 | 23.9 Ų | 23.9 | 49% | 0.487 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.4 | 176.9 | -79.6 | 177.4 | 163.9 | 175.2 | 0 | 114.5 | I164 S170 E228 I229 | I164-K168 HydrophobicContact CG2-CD 3.94Å; I164-K168 HydrophobicContact CG2-CG 4.25Å; I164-K168 WeakPolarHBondContact O-CB 3.11Å; I164-K168 WeakPolarHBondContact O-CG 3.18Å; I164-K168 PolarHBondContact O-N 2.82Å; K168-S170 VanDerWaalsContact C-N 3.31Å; K168-E228 WeakPolarHBondContact CE-OE1 3.24Å; K168-E228 HydrophobicContact CG-CG 4.28Å; K168-E228 IonicContact NZ-OE1 3.06Å; K168-I229 HydrophobicContact CG-CD1 4.14Å |
| 169 | K | 95.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 24 Ų | 24 | 42% | 0.417 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -17.7 | 175.5 | -62.8 | 173.8 | -172.3 | 175 | 0 | 112.6 | A117 R123 A166 L167 | A117-K169 PolarHBondContact O-NZ 2.82Å; A117-K169 VanDerWaalsContact O-NZ 3.14Å; R123-K169 HydrophobicContact CB-CB 3.78Å; A166-K169 WeakPolarHBondContact O-CB 3.4Å; A166-K169 PolarHBondContact O-N 3.44Å; L167-K169 PolarHBondContact O-N 3.23Å; L167-K169 VanDerWaalsContact O-N 3.09Å |
| 170 | S | 95.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -86.9 | 132.1 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | L124 D125 L167 K168 D172 A173 | L124-S170 WeakPolarHBondContact O-CB 3.44Å; D125-S170 WeakPolarHBondContact OD1-CB 3.49Å; D125-S170 PolarHBondContact OD1-OG 3.23Å; L167-S170 WeakPolarHBondContact O-CB 3.29Å; L167-S170 PolarHBondContact O-N 3.22Å; K168-S170 VanDerWaalsContact C-N 3.31Å; S170-D172 PolarHBondContact O-N 2.88Å; S170-D172 PolarHBondContact OG-N 3.42Å; S170-A173 PolarHBondContact OG-N 3.35Å |
| 171 | P | 94.3 | Very high | 96.7 | Very high | 125 Ų | 125 | 25 Ų | 25 | 81% | 0.812 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.7 | 177 | 29.5 | -35.8 | 0 | 0 | 0 | 113.3 | ||
| 172 | D | 96.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 24.2 Ų | 24.2 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 51 | -178.4 | 174.7 | 48.4 | 0 | 0 | 0 | 110 | R42 S170 R174 | R42-D172 IonicContact CZ-OD2 3.71Å; R42-D172 IonicContact NH1-OD2 3.39Å; R42-D172 PolarHBondContact NH1-OD2 2.79Å; R42-D172 PolarHBondContact NH2-O 2.81Å; R42-D172 IonicContact NH2-OD2 2.68Å; R42-D172 PolarHBondContact NH2-OD2 3.36Å; S170-D172 PolarHBondContact O-N 2.88Å; S170-D172 PolarHBondContact OG-N 3.42Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 IonicContact OD1-CZ 3.98Å; D172-R174 IonicContact OD1-NE 2.85Å; D172-R174 IonicContact OD1-NH2 3.17Å; D172-R174 PolarHBondContact OD1-NH2 3.44Å; D172-R174 IonicContact OD2-CZ 3.63Å; D172-R174 IonicContact OD2-NE 2.71Å; D172-R174 IonicContact OD2-NH2 2.73Å; D172-R174 PolarHBondContact OD2-NH2 2.89Å |
| 173 | A | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | trans | -65.9 | 133.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D125 L167 S170 I229 F230 | D125-A173 WeakPolarHBondContact O-CA 3.47Å; L167-A173 HydrophobicContact CB-CB 4.3Å; L167-A173 HydrophobicContact CD2-CB 4.37Å; L167-A173 WeakPolarHBondContact O-CB 3.25Å; S170-A173 PolarHBondContact OG-N 3.35Å; A173-I229 HydrophobicContact CB-CB 4.26Å; A173-I229 HydrophobicContact CB-CG1 3.88Å; A173-I229 HydrophobicContact CB-CG2 3.99Å; A173-F230 PolarHBondContact O-N 3.34Å | ||
| 174 | R | 98.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.8 | 173.9 | 60.9 | -173.5 | 77.2 | 178.9 | 5.8 | 113.7 | D125 I126 L127 D172 I176 F230 L272 A273 V275 | D125-R174 PolarHBondContact O-N 3.41Å; I126-R174 CarbonylContact C-O 3.55Å; I126-R174 VanDerWaalsContact CA-O 3.3Å; I126-R174 WeakPolarHBondContact CA-O 3.29Å; I126-R174 HydrophobicContact CB-CG 4.33Å; I126-R174 HydrophobicContact CD1-CG 4.4Å; I126-R174 HydrophobicContact CG1-CG 3.88Å; I126-R174 HydrophobicContact CG2-CG 4.11Å; L127-R174 PolarHBondContact N-O 3.08Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 IonicContact OD1-CZ 3.98Å; D172-R174 IonicContact OD1-NE 2.85Å; D172-R174 IonicContact OD1-NH2 3.17Å; D172-R174 PolarHBondContact OD1-NH2 3.44Å; D172-R174 IonicContact OD2-CZ 3.63Å; D172-R174 IonicContact OD2-NE 2.71Å; D172-R174 IonicContact OD2-NH2 2.73Å; D172-R174 PolarHBondContact OD2-NH2 2.89Å; R174-I176 HydrophobicContact CG-CD1 3.99Å; R174-F230 CarbonylContact C-O 3.45Å; R174-F230 WeakPolarHBondContact CA-O 3.36Å; R174-F230 HydrophobicContact CB-CB 4.08Å; R174-F230 HydrophobicContact CB-CD1 4.19Å; R174-L272 VanDerWaalsContact CD-O 3.28Å; R174-L272 WeakPolarHBondContact CD-O 3.36Å; R174-L272 PolarHBondContact NH1-O 3.31Å; R174-A273 PolarHBondContact NH1-O 2.82Å; R174-V275 PolarHBondContact NH1-O 3.35Å; R174-V275 PolarHBondContact NH2-O 2.96Å; R174-V275 VanDerWaalsContact NH2-O 3.14Å |
| 175 | V | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.9 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L127 T160 L167 I229 F230 F231 C232 | L127-V175 HydrophobicContact CB-CB 4.47Å; L127-V175 HydrophobicContact CB-CG1 4.22Å; L127-V175 HydrophobicContact CB-CG2 4.12Å; L127-V175 HydrophobicContact CD2-CG1 3.99Å; L127-V175 HydrophobicContact CD2-CG2 4.4Å; L127-V175 HydrophobicContact CG-CG1 4.15Å; L127-V175 CarbonylContact O-C 3.54Å; L127-V175 WeakPolarHBondContact O-CA 3.09Å; T160-V175 HydrophobicContact CG2-CG1 4.44Å; L167-V175 HydrophobicContact CD1-CG2 3.68Å; L167-V175 HydrophobicContact CD2-CG2 4.19Å; V175-I229 HydrophobicContact CG2-CG2 3.91Å; V175-F230 PolarHBondContact N-O 3.45Å; V175-F231 HydrophobicContact CB-CD1 3.53Å; V175-F231 HydrophobicContact CB-CE1 3.72Å; V175-F231 HydrophobicContact CB-CG 4.32Å; V175-F231 HydrophobicContact CG1-CD1 3.95Å; V175-F231 HydrophobicContact CG1-CE1 4.09Å; V175-F231 HydrophobicContact CG2-CD1 3.87Å; V175-F231 HydrophobicContact CG2-CE1 3.5Å; V175-F231 HydrophobicContact CG2-CZ 4.08Å; V175-C232 PolarHBondContact O-N 3.26Å |
| 176 | I | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.9 | 177.4 | -56.3 | 90.9 | 0 | 0 | 0 | 108.4 | I126 L127 I128 N129 R174 M234 A269 L272 A273 | I126-I176 HydrophobicContact CG2-CD1 3.6Å; L127-I176 PolarHBondContact O-N 3.26Å; I128-I176 CarbonylContact C-O 3.55Å; I128-I176 WeakPolarHBondContact CA-O 3.27Å; I128-I176 HydrophobicContact CG1-CB 4.45Å; I128-I176 HydrophobicContact CG1-CD1 4.24Å; N129-I176 PolarHBondContact N-O 3.18Å; R174-I176 HydrophobicContact CG-CD1 3.99Å; I176-M234 HydrophobicContact CG2-CG 3.94Å; I176-A269 HydrophobicContact CG2-CB 4.24Å; I176-L272 HydrophobicContact CG1-CB 3.84Å; I176-L272 HydrophobicContact CG2-CD1 4.06Å; I176-A273 HydrophobicContact CD1-CB 4.42Å |
| 177 | T | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.9 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | N129 S179 Q215 C232 S233 M234 | N129-T177 HydrophobicContact CB-CG2 4.14Å; T177-S179 PolarHBondContact O-N 3.36Å; T177-Q215 HydrophobicContact CG2-CB 3.84Å; T177-Q215 HydrophobicContact CG2-CG 4.19Å; T177-C232 PolarHBondContact N-O 3.34Å; T177-S233 CarbonylContact O-C 3.59Å; T177-S233 WeakPolarHBondContact O-CA 3.36Å; T177-S233 WeakPolarHBondContact O-CB 3.48Å; T177-M234 PolarHBondContact O-N 3.36Å |
| 178 | V | 98.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 100.8 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | I128 N129 N130 K212 Q215 M234 P236 | I128-V178 HydrophobicContact CG2-CG2 4.25Å; N129-V178 PolarHBondContact O-N 3.14Å; N130-V178 HydrophobicContact CB-CB 4.46Å; N130-V178 HydrophobicContact CB-CG2 3.87Å; V178-K212 PolarHBondContact O-NZ 3.31Å; V178-Q215 PolarHBondContact O-OE1 2.88Å; V178-M234 HydrophobicContact CB-SD 4.13Å; V178-M234 HydrophobicContact CG1-SD 3.83Å; V178-M234 HydrophobicContact CG2-SD 3.94Å; V178-P236 HydrophobicContact CG1-CG 4.13Å |
| 179 | S | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | trans | -90.2 | -153.1 | 176 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | T177 K212 V216 M234 P236 | T177-S179 PolarHBondContact O-N 3.36Å; S179-K212 PolarHBondContact OG-O 2.85Å; S179-V216 WeakPolarHBondContact OG-CG2 3.35Å; S179-M234 WeakPolarHBondContact CA-O 3.18Å; S179-M234 PolarHBondContact N-O 2.91Å; S179-P236 WeakPolarHBondContact O-CD 3.39Å | ||
| 180 | S | 93.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 20.9 Ų | 20.9 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | trans | -149.2 | 146.5 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 111 | G182 M183 | S180-G182 PolarHBondContact O-N 3.17Å; S180-G182 VanDerWaalsContact O-N 3.11Å; S180-G182 PolarHBondContact OG-N 3.47Å; S180-G182 VanDerWaalsContact OG-N 3.15Å; S180-M183 WeakPolarHBondContact O-CG 3.32Å; S180-M183 PolarHBondContact O-N 2.67Å; S180-M183 VanDerWaalsContact O-N 3.12Å | ||
| 181 | G | 89 | Confident | 94.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -57.2 | -25.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W9 M183 L184 H235 | W9-G181 PolarHBondContact NE1-O 3.15Å; G181-M183 PolarHBondContact O-N 2.96Å; G181-M183 VanDerWaalsContact O-N 3.15Å; G181-L184 VanDerWaalsContact O-CB 3.28Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 VanDerWaalsContact O-CG 3.28Å; G181-L184 WeakPolarHBondContact O-CG 3.39Å; G181-L184 PolarHBondContact O-N 3.49Å; G181-H235 PolarHBondContact N-CE1 2.87Å; G181-H235 PolarHBondContact N-ND1 2.91Å |
| 182 | G | 88.9 | Confident | 94.4 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 14% | 0.144 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -58 | -26.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S180 L184 V185 | S180-G182 PolarHBondContact O-N 3.17Å; S180-G182 VanDerWaalsContact O-N 3.11Å; S180-G182 PolarHBondContact OG-N 3.47Å; S180-G182 VanDerWaalsContact OG-N 3.15Å; G182-L184 PolarHBondContact O-N 3.49Å; G182-V185 VanDerWaalsContact O-CG2 3.24Å; G182-V185 WeakPolarHBondContact O-CG2 3.33Å |
| 183 | M | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -67.6 | -22.5 | 177.2 | 73 | 94.1 | 173.2 | 0 | 0 | 113.3 | S180 G181 V185 Q186 K212 R213 V216 F286 Q295 | S180-M183 WeakPolarHBondContact O-CG 3.32Å; S180-M183 PolarHBondContact O-N 2.67Å; S180-M183 VanDerWaalsContact O-N 3.12Å; G181-M183 PolarHBondContact O-N 2.96Å; G181-M183 VanDerWaalsContact O-N 3.15Å; M183-V185 PolarHBondContact O-N 3.07Å; M183-V185 VanDerWaalsContact O-N 3.14Å; M183-Q186 PolarHBondContact O-N 3.17Å; M183-K212 HydrophobicContact CB-CB 4Å; M183-R213 HydrophobicContact CB-CB 4.02Å; M183-R213 PolarHBondContact O-NE 3.18Å; M183-R213 PolarHBondContact O-NH2 2.91Å; M183-R213 PolarHBondContact SD-NH1 3.41Å; M183-R213 VanDerWaalsContact SD-NH1 3.39Å; M183-R213 PolarHBondContact SD-NH2 3.39Å; M183-V216 HydrophobicContact CE-CG2 3.71Å; M183-V216 HydrophobicContact SD-CG2 4.02Å; M183-F286 HydrophobicContact CE-CD1 3.97Å; M183-F286 HydrophobicContact CE-CD2 3.99Å; M183-F286 HydrophobicContact CE-CE1 3.5Å; M183-F286 HydrophobicContact CE-CE2 3.51Å; M183-F286 HydrophobicContact CE-CG 4.21Å; M183-F286 HydrophobicContact CE-CZ 3.23Å; M183-Q295 HydrophobicContact CE-CB 4.32Å |
| 184 | L | 91.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -63.6 | -24.1 | -173.8 | -64.1 | 173.9 | 0 | 0 | 0 | 113.5 | Y17 G181 G182 F286 Q295 L297 T302 | Y17-L184 WeakPolarHBondContact OH-CD1 3.41Å; G181-L184 VanDerWaalsContact O-CB 3.28Å; G181-L184 WeakPolarHBondContact O-CB 3.47Å; G181-L184 VanDerWaalsContact O-CG 3.28Å; G181-L184 WeakPolarHBondContact O-CG 3.39Å; G181-L184 PolarHBondContact O-N 3.49Å; G182-L184 PolarHBondContact O-N 3.49Å; L184-F286 HydrophobicContact CD2-CE1 4.33Å; L184-Q295 VanDerWaalsContact CD2-C 3.4Å; L184-Q295 VanDerWaalsContact CD2-O 3.27Å; L184-Q295 WeakPolarHBondContact CD2-O 3.4Å; L184-L297 HydrophobicContact CB-CD1 3.95Å; L184-L297 HydrophobicContact CB-CG 3.96Å; L184-T302 PolarHBondContact O-OG1 3.47Å |
| 185 | V | 89.2 | Confident | 93.4 | Very high | 11 Ų | 11 | 20 Ų | 20 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -94.7 | -1.7 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | R5 W9 G182 M183 L297 T302 | R5-V185 HydrophobicContact CB-CG1 4.18Å; W9-V185 HydrophobicContact CB-CG1 3.6Å; W9-V185 HydrophobicContact CG-CG1 3.93Å; G182-V185 VanDerWaalsContact O-CG2 3.24Å; G182-V185 WeakPolarHBondContact O-CG2 3.33Å; M183-V185 PolarHBondContact O-N 3.07Å; M183-V185 VanDerWaalsContact O-N 3.14Å; V185-L297 HydrophobicContact CG1-CD1 3.54Å; V185-T302 WeakPolarHBondContact O-CG2 3.45Å |
| 186 | Q | 91.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | trans | -104.1 | 124 | -177.5 | -64.3 | -55 | -39.3 | 0 | 0 | 111.6 | M183 A209 R213 | M183-Q186 PolarHBondContact O-N 3.17Å; Q186-A209 HydrophobicContact CG-CB 3.59Å; Q186-R213 HydrophobicContact CB-CB 4.44Å; Q186-R213 PolarHBondContact O-NE 3.38Å; Q186-R213 PolarHBondContact O-NH2 2.82Å | ||
| 187 | K | 93.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 26.7 Ų | 26.7 | 37% | 0.374 | 16% | 0.156 | S | C | . | . | trans | -77 | 139.5 | 161.8 | -173.1 | 177.6 | 177.6 | -171.3 | 0 | 108.1 | N189 Q210 H303 E308 | K187-N189 PolarHBondContact O-N 2.89Å; K187-Q210 PolarHBondContact O-NE2 3.11Å; K187-Q210 PolarHBondContact O-OE1 3.17Å; K187-H303 WeakPolarHBondContact CE-O 3.48Å; K187-E308 WeakPolarHBondContact CE-OE1 3.39Å; K187-E308 WeakPolarHBondContact CE-OE2 3.4Å; K187-E308 IonicContact NZ-OE1 2.75Å; K187-E308 PolarHBondContact NZ-OE1 3.32Å; K187-E308 IonicContact NZ-OE2 3.69Å; K187-E308 PolarHBondContact NZ-OE2 3.37Å | ||
| 188 | L | 95.6 | Very high | 91 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -58.1 | 123.5 | 178.2 | 179.7 | 70.1 | 0 | 0 | 0 | 110.9 | H190 R213 Q214 V217 S304 K309 F312 | L188-H190 HydrophobicContact CD2-CB 4.03Å; L188-H190 HydrophobicContact CG-CB 4.22Å; L188-H190 PolarHBondContact O-N 2.71Å; L188-R213 HydrophobicContact CB-CG 4.1Å; L188-R213 HydrophobicContact CD1-CG 4.17Å; L188-Q214 HydrophobicContact CD1-CG 3.88Å; L188-V217 HydrophobicContact CD1-CG2 4.27Å; L188-V217 HydrophobicContact CD2-CB 4.5Å; L188-V217 HydrophobicContact CD2-CG1 4.12Å; L188-V217 HydrophobicContact CD2-CG2 4.04Å; L188-S304 VanDerWaalsContact CB-OG 3.32Å; L188-S304 WeakPolarHBondContact CB-OG 3.22Å; L188-S304 PolarHBondContact N-OG 2.77Å; L188-K309 HydrophobicContact CD2-CG 4.44Å; L188-F312 HydrophobicContact CD1-CD1 4.4Å; L188-F312 HydrophobicContact CD1-CD2 4.16Å; L188-F312 HydrophobicContact CD1-CG 4.09Å; L188-F312 HydrophobicContact CD2-CB 3.74Å; L188-F312 HydrophobicContact CD2-CD1 4.4Å; L188-F312 HydrophobicContact CD2-CG 4.07Å; L188-F312 HydrophobicContact CG-CB 4.43Å; L188-F312 HydrophobicContact CG-CG 4.48Å | ||
| 189 | N | 94.4 | Very high | 90.3 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | trans | -82.5 | 83.6 | 164.3 | -169.7 | -11.4 | 0 | 0 | 0 | 110 | K187 A191 N192 L195 Q210 | K187-N189 PolarHBondContact O-N 2.89Å; N189-A191 VanDerWaalsContact C-N 3.35Å; N189-N192 PolarHBondContact OD1-N 2.76Å; N189-N192 VanDerWaalsContact OD1-N 3.14Å; N189-L195 HydrophobicContact CB-CD2 3.92Å; N189-L195 WeakPolarHBondContact ND2-CD2 3.39Å; N189-Q210 VanDerWaalsContact N-OE1 3.16Å | ||
| 190 | H | 93.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | trans | -72.1 | -28.5 | -176.5 | 61 | -90.3 | 0 | 0 | 0 | 113.4 | L188 E308 F312 N315 | L188-H190 HydrophobicContact CD2-CB 4.03Å; L188-H190 HydrophobicContact CG-CB 4.22Å; L188-H190 PolarHBondContact O-N 2.71Å; H190-E308 HydrophobicContact CB-CB 4.37Å; H190-E308 WeakPolarHBondContact CB-O 3.4Å; H190-E308 IonicContact CE1-OE1 2.7Å; H190-E308 PolarHBondContact CE1-OE1 2.65Å; H190-E308 IonicContact ND1-OE1 3.1Å; H190-F312 HydrophobicContact CB-CB 3.8Å; H190-N315 PolarHBondContact O-ND2 3.1Å | ||
| 191 | A | 92.3 | Very high | 89.5 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -80.7 | -27.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N189 | N189-A191 VanDerWaalsContact C-N 3.35Š|
| 192 | N | 92 | Very high | 89.6 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | trans | -134 | 82.5 | 175.7 | -178.2 | 11.1 | 0 | 0 | 0 | 111.2 | N189 M194 L195 T196 T197 | N189-N192 PolarHBondContact OD1-N 2.76Å; N189-N192 VanDerWaalsContact OD1-N 3.14Å; N192-M194 VanDerWaalsContact C-N 3.3Å; N192-M194 PolarHBondContact O-N 3.47Å; N192-L195 WeakPolarHBondContact ND2-CA 3.37Å; N192-L195 WeakPolarHBondContact O-CD2 3.38Å; N192-L195 PolarHBondContact O-N 3.32Å; N192-L195 PolarHBondContact OD1-N 3.42Å; N192-T196 PolarHBondContact ND2-N 3.04Å; N192-T197 WeakPolarHBondContact ND2-CG2 3.2Å; N192-T197 PolarHBondContact ND2-OG1 3.19Å; N192-T197 VanDerWaalsContact ND2-OG1 3.1Å | ||
| 193 | P | 90.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.4 | -179 | -27.1 | 35.9 | 0 | 0 | 0 | 114.6 | F149 Q214 F312 N315 I319 | F149-P193 VanDerWaalsContact CD2-O 3.28Å; F149-P193 WeakPolarHBondContact CD2-O 3.39Å; F149-P193 HydrophobicContact CE2-CB 3.69Å; F149-P193 HydrophobicContact CZ-CB 4.2Å; P193-Q214 PolarHBondContact O-NE2 3Å; P193-F312 HydrophobicContact CB-CD2 4.25Å; P193-F312 HydrophobicContact CB-CE2 4.01Å; P193-F312 HydrophobicContact CG-CD2 4.03Å; P193-F312 HydrophobicContact CG-CE2 4.26Å; P193-N315 HydrophobicContact CG-CB 3.86Å; P193-I319 HydrophobicContact CB-CD1 4.29Å; P193-I319 HydrophobicContact CG-CD1 4.3Å |
| 194 | M | 91.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -13.2 | -176.3 | -55.8 | -164 | -56.6 | 0 | 0 | 113.9 | L145 F149 N192 T196 I319 | L145-M194 HydrophobicContact CD2-SD 3.89Å; F149-M194 HydrophobicContact CD1-CB 4.35Å; F149-M194 HydrophobicContact CD1-CG 3.66Å; F149-M194 HydrophobicContact CD1-SD 4.18Å; F149-M194 HydrophobicContact CD2-CG 4.29Å; F149-M194 HydrophobicContact CE1-CG 3.57Å; F149-M194 HydrophobicContact CE1-SD 4.07Å; F149-M194 HydrophobicContact CE2-CG 4.22Å; F149-M194 HydrophobicContact CG-CB 4.3Å; F149-M194 HydrophobicContact CG-CG 4.02Å; F149-M194 HydrophobicContact CZ-CG 3.86Å; N192-M194 VanDerWaalsContact C-N 3.3Å; N192-M194 PolarHBondContact O-N 3.47Å; M194-T196 HydrophobicContact CB-CG2 3.78Å; M194-T196 HydrophobicContact CE-CG2 4.17Å; M194-T196 PolarHBondContact O-N 3.01Å; M194-T196 VanDerWaalsContact O-N 3.17Å; M194-I319 HydrophobicContact CG-CD1 4.02Å; M194-I319 HydrophobicContact SD-CD1 4.44Å; M194-I319 HydrophobicContact SD-CG2 4.5Å |
| 195 | L | 88.3 | Confident | 89.6 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | trans | 59.6 | 22.5 | 179.8 | -55.1 | 172.8 | 0 | 0 | 0 | 115.1 | N189 N192 T197 M206 V207 Q210 | N189-L195 HydrophobicContact CB-CD2 3.92Å; N189-L195 WeakPolarHBondContact ND2-CD2 3.39Å; N192-L195 WeakPolarHBondContact ND2-CA 3.37Å; N192-L195 WeakPolarHBondContact O-CD2 3.38Å; N192-L195 PolarHBondContact O-N 3.32Å; N192-L195 PolarHBondContact OD1-N 3.42Å; L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 PolarHBondContact O-N 3.42Å; L195-M206 HydrophobicContact CD1-SD 4.46Å; L195-V207 HydrophobicContact CD1-CB 4.27Å; L195-V207 HydrophobicContact CD1-CG1 4.27Å; L195-V207 HydrophobicContact CD1-CG2 3.89Å; L195-Q210 HydrophobicContact CD1-CB 3.61Å; L195-Q210 HydrophobicContact CD1-CG 3.85Å | ||
| 196 | T | 83.2 | Confident | 89.7 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -5.5 | -173.3 | 52 | 0 | 0 | 0 | 0 | 115.3 | Y138 E146 N192 M194 K198 | Y138-T196 HydrophobicContact CE2-CG2 4.38Å; E146-T196 HydrophobicContact CB-CG2 4.05Å; N192-T196 PolarHBondContact ND2-N 3.04Å; M194-T196 HydrophobicContact CB-CG2 3.78Å; M194-T196 HydrophobicContact CE-CG2 4.17Å; M194-T196 PolarHBondContact O-N 3.01Å; M194-T196 VanDerWaalsContact O-N 3.17Å; T196-K198 VanDerWaalsContact C-N 3.26Å; T196-K198 PolarHBondContact O-N 3.44Å |
| 197 | T | 80.4 | Confident | 89.8 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 64% | 0.644 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.6 | -172.3 | 47.2 | 0 | 0 | 0 | 0 | 115 | N192 L195 | N192-T197 WeakPolarHBondContact ND2-CG2 3.2Å; N192-T197 PolarHBondContact ND2-OG1 3.19Å; N192-T197 VanDerWaalsContact ND2-OG1 3.1Å; L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 PolarHBondContact O-N 3.42Å |
| 198 | K | 83.3 | Confident | 89.9 | Confident | 138 Ų | 138 | 56.8 Ų | 56.8 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | trans | -140.4 | 63.7 | -175 | -64.5 | -177.8 | -178.5 | 173.2 | 0 | 111.3 | T196 N200 K201 | T196-K198 VanDerWaalsContact C-N 3.26Å; T196-K198 PolarHBondContact O-N 3.44Å; K198-N200 VanDerWaalsContact C-N 3.28Å; K198-N200 PolarHBondContact O-N 3.46Å; K198-K201 HydrophobicContact CB-CB 4.31Å; K198-K201 CarbonylContact O-C 3.59Å; K198-K201 PolarHBondContact O-N 3.13Å | ||
| 199 | P | 84.2 | Confident | 89.8 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.8 | -37.5 | -174.4 | 25.1 | -34.2 | 0 | 0 | 0 | 112.5 | Y138 K201 F202 | Y138-P199 HydrophobicContact CD1-CB 3.73Å; Y138-P199 HydrophobicContact CD2-CB 4.42Å; Y138-P199 HydrophobicContact CE1-CB 3.64Å; Y138-P199 HydrophobicContact CE2-CB 4.31Å; Y138-P199 HydrophobicContact CG-CB 4.12Å; P199-K201 PolarHBondContact O-N 2.87Å; P199-F202 VanDerWaalsContact O-CB 3.27Å; P199-F202 WeakPolarHBondContact O-CB 3.37Å; P199-F202 PolarHBondContact O-N 3.32Å |
| 200 | N | 86.4 | Confident | 89.9 | Confident | 163 Ų | 163 | 54.9 Ų | 54.9 | 87% | 0.872 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -67.6 | -7.1 | 178 | -59.1 | -12.4 | 0 | 0 | 0 | 114.1 | K198 | K198-N200 VanDerWaalsContact C-N 3.28Å; K198-N200 PolarHBondContact O-N 3.46Å |
| 201 | K | 86.7 | Confident | 90.1 | Very high | 162 Ų | 162 | 53 Ų | 53 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -119.5 | 24.3 | 176.5 | -60.7 | -173.3 | 177.8 | -176.1 | 0 | 111.4 | K198 P199 D203 | K198-K201 HydrophobicContact CB-CB 4.31Å; K198-K201 CarbonylContact O-C 3.59Å; K198-K201 PolarHBondContact O-N 3.13Å; P199-K201 PolarHBondContact O-N 2.87Å; K201-D203 PolarHBondContact O-N 2.93Å |
| 202 | F | 91.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | trans | -62.6 | 131.8 | -179.7 | -175.1 | -97.9 | 0 | 0 | 0 | 111 | I135 N136 Y138 E146 P199 V207 | I135-F202 WeakPolarHBondContact O-CE1 3.33Å; N136-F202 WeakPolarHBondContact O-CD1 3.35Å; N136-F202 WeakPolarHBondContact O-CE1 3.14Å; Y138-F202 HydrophobicContact CD2-CB 4.43Å; Y138-F202 AromaticContact CD2-CD2 3.47Å; Y138-F202 HydrophobicContact CD2-CD2 3.47Å; Y138-F202 VanDerWaalsContact CD2-CD2 3.47Å; Y138-F202 AromaticContact CD2-CE2 3.84Å; Y138-F202 HydrophobicContact CD2-CE2 3.84Å; Y138-F202 HydrophobicContact CD2-CG 4.1Å; Y138-F202 HydrophobicContact CE2-CD2 4.47Å; Y138-F202 HydrophobicContact CG-CB 4.47Å; Y138-F202 HydrophobicContact CG-CD2 4.15Å; Y138-F202 HydrophobicContact CG-CG 4.35Å; E146-F202 HydrophobicContact CG-CE2 4.26Å; P199-F202 VanDerWaalsContact O-CB 3.27Å; P199-F202 WeakPolarHBondContact O-CB 3.37Å; P199-F202 PolarHBondContact O-N 3.32Å; F202-V207 HydrophobicContact CD2-CG2 3.95Å; F202-V207 HydrophobicContact CE2-CB 4.19Å; F202-V207 HydrophobicContact CE2-CG1 4.26Å; F202-V207 HydrophobicContact CE2-CG2 3.61Å; F202-V207 HydrophobicContact CZ-CB 4.4Å; F202-V207 HydrophobicContact CZ-CG2 4.22Å | ||
| 203 | D | 90.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | trans | -132.8 | 103.2 | 174.9 | 172.5 | -13.5 | 0 | 0 | 0 | 106.4 | K201 T205 M206 V207 | K201-D203 PolarHBondContact O-N 2.93Å; D203-T205 PolarHBondContact O-N 3.31Å; D203-T205 WeakPolarHBondContact OD1-CA 3.47Å; D203-T205 WeakPolarHBondContact OD1-CB 3.37Å; D203-T205 PolarHBondContact OD1-N 3.36Å; D203-M206 HydrophobicContact CB-CB 3.89Å; D203-M206 PolarHBondContact O-N 2.92Å; D203-M206 VanDerWaalsContact O-N 3.11Å; D203-M206 PolarHBondContact OD1-N 2.92Å; D203-V207 WeakPolarHBondContact O-CG2 3.13Å; D203-V207 PolarHBondContact O-N 2.79Å | ||
| 204 | G | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.5 | -30.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y208 | G204-Y208 WeakPolarHBondContact O-CB 3.46Å; G204-Y208 PolarHBondContact O-N 3.39Å |
| 205 | T | 90.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | D203 A209 | D203-T205 PolarHBondContact O-N 3.31Å; D203-T205 WeakPolarHBondContact OD1-CA 3.47Å; D203-T205 WeakPolarHBondContact OD1-CB 3.37Å; D203-T205 PolarHBondContact OD1-N 3.36Å; T205-A209 WeakPolarHBondContact O-CB 3.11Å; T205-A209 PolarHBondContact O-N 2.97Å |
| 206 | M | 91.9 | Very high | 91.7 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 23% | 0.232 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -45 | 175.8 | -176 | -77.3 | -61.2 | 0 | 0 | 111.7 | M1 L195 D203 A209 Q210 | M1-M206 HydrophobicContact CE-CG 4.32Å; L195-M206 HydrophobicContact CD1-SD 4.46Å; D203-M206 HydrophobicContact CB-CB 3.89Å; D203-M206 PolarHBondContact O-N 2.92Å; D203-M206 VanDerWaalsContact O-N 3.11Å; D203-M206 PolarHBondContact OD1-N 2.92Å; M206-A209 PolarHBondContact O-N 3.32Å; M206-Q210 PolarHBondContact O-N 2.68Å; M206-Q210 HydrophobicContact SD-CG 3.72Å |
| 207 | V | 94.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.4 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | N148 L195 F202 D203 A209 Q210 N211 | N148-V207 HydrophobicContact CB-CG1 3.88Å; L195-V207 HydrophobicContact CD1-CB 4.27Å; L195-V207 HydrophobicContact CD1-CG1 4.27Å; L195-V207 HydrophobicContact CD1-CG2 3.89Å; F202-V207 HydrophobicContact CD2-CG2 3.95Å; F202-V207 HydrophobicContact CE2-CB 4.19Å; F202-V207 HydrophobicContact CE2-CG1 4.26Å; F202-V207 HydrophobicContact CE2-CG2 3.61Å; F202-V207 HydrophobicContact CZ-CB 4.4Å; F202-V207 HydrophobicContact CZ-CG2 4.22Å; D203-V207 WeakPolarHBondContact O-CG2 3.13Å; D203-V207 PolarHBondContact O-N 2.79Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 2.99Å; V207-Q210 CarbonylContact O-C 3.54Å; V207-Q210 WeakPolarHBondContact O-CB 3.4Å; V207-Q210 PolarHBondContact O-N 2.88Å; V207-Q210 VanDerWaalsContact O-N 3.16Å; V207-N211 VanDerWaalsContact O-CG 3.28Å; V207-N211 PolarHBondContact O-N 3.48Å; V207-N211 PolarHBondContact O-OD1 3.26Å |
| 208 | Y | 94.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 173.5 | 176.7 | -97.3 | 0 | 0 | 0 | 112 | C133 M134 G204 Q210 N211 K212 | C133-Y208 VanDerWaalsContact O-CD2 3.23Å; C133-Y208 WeakPolarHBondContact O-CD2 3.46Å; M134-Y208 HydrophobicContact CB-CD2 3.99Å; M134-Y208 HydrophobicContact CB-CG 4.24Å; M134-Y208 HydrophobicContact CE-CD1 3.25Å; M134-Y208 HydrophobicContact CE-CD2 4.13Å; M134-Y208 HydrophobicContact CE-CE1 3.84Å; M134-Y208 HydrophobicContact CE-CG 3.41Å; M134-Y208 VanDerWaalsContact CE-CG 3.41Å; M134-Y208 HydrophobicContact CG-CG 4.34Å; G204-Y208 WeakPolarHBondContact O-CB 3.46Å; G204-Y208 PolarHBondContact O-N 3.39Å; Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 2.86Å; Y208-N211 PolarHBondContact O-N 3.23Å; Y208-N211 VanDerWaalsContact O-N 3.15Å; Y208-K212 HydrophobicContact CD1-CG 4.11Å; Y208-K212 HydrophobicContact CD2-CG 4.49Å; Y208-K212 HydrophobicContact CE1-CG 3.72Å; Y208-K212 HydrophobicContact CE2-CD 4.33Å; Y208-K212 HydrophobicContact CE2-CG 4.16Å; Y208-K212 HydrophobicContact CG-CG 4.5Å; Y208-K212 WeakPolarHBondContact O-CG 3.44Å; Y208-K212 PolarHBondContact O-N 3.45Å; Y208-K212 WeakPolarHBondContact OH-CE 3.33Å |
| 209 | A | 94.3 | Very high | 94 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -36 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q186 T205 M206 V207 R213 | Q186-A209 HydrophobicContact CG-CB 3.59Å; T205-A209 WeakPolarHBondContact O-CB 3.11Å; T205-A209 PolarHBondContact O-N 2.97Å; M206-A209 PolarHBondContact O-N 3.32Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 2.99Å; A209-R213 PolarHBondContact O-N 2.92Å |
| 210 | Q | 96.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 170.9 | -77.8 | -70.4 | -28.4 | 0 | 0 | 112 | K187 N189 L195 M206 V207 Y208 K212 R213 Q214 | K187-Q210 PolarHBondContact O-NE2 3.11Å; K187-Q210 PolarHBondContact O-OE1 3.17Å; N189-Q210 VanDerWaalsContact N-OE1 3.16Å; L195-Q210 HydrophobicContact CD1-CB 3.61Å; L195-Q210 HydrophobicContact CD1-CG 3.85Å; M206-Q210 PolarHBondContact O-N 2.68Å; M206-Q210 HydrophobicContact SD-CG 3.72Å; V207-Q210 CarbonylContact O-C 3.54Å; V207-Q210 WeakPolarHBondContact O-CB 3.4Å; V207-Q210 PolarHBondContact O-N 2.88Å; V207-Q210 VanDerWaalsContact O-N 3.16Å; Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 2.86Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 3.48Å; Q210-R213 CarbonylContact O-C 3.58Å; Q210-R213 WeakPolarHBondContact O-CA 3.21Å; Q210-R213 WeakPolarHBondContact O-CB 3.36Å; Q210-R213 PolarHBondContact O-N 3.32Å; Q210-R213 VanDerWaalsContact O-N 3.07Å; Q210-Q214 VanDerWaalsContact O-CG 3.28Å; Q210-Q214 WeakPolarHBondContact O-CG 3.23Å; Q210-Q214 PolarHBondContact O-N 2.84Å |
| 211 | N | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.6 | -57.7 | 148.9 | 0 | 0 | 0 | 111.6 | N148 N152 V207 Y208 R213 Q214 Q215 | N148-N211 WeakPolarHBondContact CB-OD1 3.45Å; N152-N211 HydrophobicContact CB-CB 3.65Å; N152-N211 PolarHBondContact ND2-OD1 3Å; V207-N211 VanDerWaalsContact O-CG 3.28Å; V207-N211 PolarHBondContact O-N 3.48Å; V207-N211 PolarHBondContact O-OD1 3.26Å; Y208-N211 PolarHBondContact O-N 3.23Å; Y208-N211 VanDerWaalsContact O-N 3.15Å; N211-R213 VanDerWaalsContact C-N 3.33Å; N211-R213 PolarHBondContact O-N 2.87Å; N211-Q214 PolarHBondContact ND2-OE1 2.92Å; N211-Q214 WeakPolarHBondContact O-CB 3.38Å; N211-Q214 PolarHBondContact O-N 3.2Å; N211-Q215 WeakPolarHBondContact O-CG 3.28Å; N211-Q215 PolarHBondContact O-N 3.35Å |
| 212 | K | 97.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.4 | -32.3 | 175 | -66.2 | -49 | -165 | 172.2 | 0 | 112.7 | V178 S179 M183 Y208 Q210 V216 | V178-K212 PolarHBondContact O-NZ 3.31Å; S179-K212 PolarHBondContact OG-O 2.85Å; M183-K212 HydrophobicContact CB-CB 4Å; Y208-K212 HydrophobicContact CD1-CG 4.11Å; Y208-K212 HydrophobicContact CD2-CG 4.49Å; Y208-K212 HydrophobicContact CE1-CG 3.72Å; Y208-K212 HydrophobicContact CE2-CD 4.33Å; Y208-K212 HydrophobicContact CE2-CG 4.16Å; Y208-K212 HydrophobicContact CG-CG 4.5Å; Y208-K212 WeakPolarHBondContact O-CG 3.44Å; Y208-K212 PolarHBondContact O-N 3.45Å; Y208-K212 WeakPolarHBondContact OH-CE 3.33Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 3.48Å; K212-V216 WeakPolarHBondContact O-CG2 3.32Å; K212-V216 PolarHBondContact O-N 2.73Å |
| 213 | R | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 168.8 | 173.5 | 58 | 68.4 | -170.8 | -0.6 | 111.4 | M183 Q186 L188 A209 Q210 N211 Q215 V216 V217 Q295 H296 | M183-R213 HydrophobicContact CB-CB 4.02Å; M183-R213 PolarHBondContact O-NE 3.18Å; M183-R213 PolarHBondContact O-NH2 2.91Å; M183-R213 PolarHBondContact SD-NH1 3.41Å; M183-R213 VanDerWaalsContact SD-NH1 3.39Å; M183-R213 PolarHBondContact SD-NH2 3.39Å; Q186-R213 HydrophobicContact CB-CB 4.44Å; Q186-R213 PolarHBondContact O-NE 3.38Å; Q186-R213 PolarHBondContact O-NH2 2.82Å; L188-R213 HydrophobicContact CB-CG 4.1Å; L188-R213 HydrophobicContact CD1-CG 4.17Å; A209-R213 PolarHBondContact O-N 2.92Å; Q210-R213 CarbonylContact O-C 3.58Å; Q210-R213 WeakPolarHBondContact O-CA 3.21Å; Q210-R213 WeakPolarHBondContact O-CB 3.36Å; Q210-R213 PolarHBondContact O-N 3.32Å; Q210-R213 VanDerWaalsContact O-N 3.07Å; N211-R213 VanDerWaalsContact C-N 3.33Å; N211-R213 PolarHBondContact O-N 2.87Å; R213-Q215 VanDerWaalsContact C-N 3.35Å; R213-V216 PolarHBondContact O-N 3.06Å; R213-V217 PolarHBondContact O-N 2.95Å; R213-V217 VanDerWaalsContact O-N 3.13Å; R213-Q295 PolarHBondContact NH1-O 3.47Å; R213-Q295 PolarHBondContact NH2-O 3.19Å; R213-H296 PolarHBondContact NH1-CE1 3.22Å |
| 214 | Q | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.2 | -70.2 | 167.4 | -11 | 0 | 0 | 110.9 | T153 L188 P193 Q210 N211 V216 V217 M218 F312 | T153-Q214 HydrophobicContact CG2-CB 4.01Å; T153-Q214 PolarHBondContact OG1-OE1 3.47Å; L188-Q214 HydrophobicContact CD1-CG 3.88Å; P193-Q214 PolarHBondContact O-NE2 3Å; Q210-Q214 VanDerWaalsContact O-CG 3.28Å; Q210-Q214 WeakPolarHBondContact O-CG 3.23Å; Q210-Q214 PolarHBondContact O-N 2.84Å; N211-Q214 PolarHBondContact ND2-OE1 2.92Å; N211-Q214 WeakPolarHBondContact O-CB 3.38Å; N211-Q214 PolarHBondContact O-N 3.2Å; Q214-V216 VanDerWaalsContact C-N 3.31Å; Q214-V216 PolarHBondContact O-N 3.07Å; Q214-V217 PolarHBondContact O-N 3.04Å; Q214-V217 VanDerWaalsContact O-N 3.14Å; Q214-M218 VanDerWaalsContact O-CG 3.32Å; Q214-M218 WeakPolarHBondContact O-CG 3.48Å; Q214-M218 PolarHBondContact O-N 2.82Å; Q214-F312 HydrophobicContact CB-CE1 4.25Å; Q214-F312 HydrophobicContact CB-CE2 3.97Å; Q214-F312 HydrophobicContact CB-CZ 3.52Å; Q214-F312 HydrophobicContact CG-CD2 4.33Å; Q214-F312 HydrophobicContact CG-CE2 3.5Å; Q214-F312 HydrophobicContact CG-CZ 3.62Å |
| 215 | Q | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.2 | -40.2 | 175.5 | -76.4 | -176.6 | -20.2 | 0 | 0 | 114 | N152 T177 V178 N211 R213 M218 T219 | N152-Q215 PolarHBondContact O-NE2 2.9Å; T177-Q215 HydrophobicContact CG2-CB 3.84Å; T177-Q215 HydrophobicContact CG2-CG 4.19Å; V178-Q215 PolarHBondContact O-OE1 2.88Å; N211-Q215 WeakPolarHBondContact O-CG 3.28Å; N211-Q215 PolarHBondContact O-N 3.35Å; R213-Q215 VanDerWaalsContact C-N 3.35Å; Q215-M218 HydrophobicContact CB-CE 4.18Å; Q215-M218 HydrophobicContact CG-CE 3.72Å; Q215-T219 WeakPolarHBondContact O-CB 3.2Å; Q215-T219 PolarHBondContact O-N 2.9Å; Q215-T219 PolarHBondContact O-OG1 3.43Å |
| 216 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | S179 M183 K212 R213 Q214 T219 E220 F286 Q295 | S179-V216 WeakPolarHBondContact OG-CG2 3.35Å; M183-V216 HydrophobicContact CE-CG2 3.71Å; M183-V216 HydrophobicContact SD-CG2 4.02Å; K212-V216 WeakPolarHBondContact O-CG2 3.32Å; K212-V216 PolarHBondContact O-N 2.73Å; R213-V216 PolarHBondContact O-N 3.06Å; Q214-V216 VanDerWaalsContact C-N 3.31Å; Q214-V216 PolarHBondContact O-N 3.07Å; V216-T219 WeakPolarHBondContact O-CB 3.43Å; V216-T219 PolarHBondContact O-N 2.88Å; V216-E220 WeakPolarHBondContact O-CG 3.47Å; V216-E220 PolarHBondContact O-N 3.14Å; V216-F286 HydrophobicContact CG2-CD2 4.23Å; V216-F286 HydrophobicContact CG2-CE2 4.21Å; V216-Q295 HydrophobicContact CG1-CB 4.47Å; V216-Q295 VanDerWaalsContact CG1-CD 3.43Å; V216-Q295 HydrophobicContact CG1-CG 3.98Å |
| 217 | V | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L188 R213 Q214 T219 E220 M221 K309 F312 | L188-V217 HydrophobicContact CD1-CG2 4.27Å; L188-V217 HydrophobicContact CD2-CB 4.5Å; L188-V217 HydrophobicContact CD2-CG1 4.12Å; L188-V217 HydrophobicContact CD2-CG2 4.04Å; R213-V217 PolarHBondContact O-N 2.95Å; R213-V217 VanDerWaalsContact O-N 3.13Å; Q214-V217 PolarHBondContact O-N 3.04Å; Q214-V217 VanDerWaalsContact O-N 3.14Å; V217-T219 VanDerWaalsContact C-N 3.3Å; V217-T219 PolarHBondContact O-N 2.97Å; V217-E220 PolarHBondContact O-N 3.31Å; V217-M221 HydrophobicContact CG1-CG 4.28Å; V217-M221 WeakPolarHBondContact O-CB 3.41Å; V217-M221 VanDerWaalsContact O-CG 3.22Å; V217-M221 WeakPolarHBondContact O-CG 3.37Å; V217-M221 PolarHBondContact O-N 3.11Å; V217-K309 HydrophobicContact CG1-CB 3.79Å; V217-K309 HydrophobicContact CG1-CD 4.25Å; V217-K309 HydrophobicContact CG1-CG 3.82Å; V217-K309 HydrophobicContact CG2-CG 4.37Å; V217-F312 HydrophobicContact CB-CD1 4.36Å; V217-F312 HydrophobicContact CB-CE1 4.45Å; V217-F312 HydrophobicContact CG1-CD1 3.75Å; V217-F312 HydrophobicContact CG1-CE1 4.23Å |
| 218 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 172.5 | -68.2 | -171.2 | -65.3 | 0 | 0 | 110.9 | T153 T156 Y157 Q214 Q215 E220 M221 W222 F312 M313 L316 | T153-M218 HydrophobicContact CG2-CE 4.08Å; T153-M218 HydrophobicContact CG2-SD 4.15Å; T156-M218 HydrophobicContact CG2-CE 4.29Å; Y157-M218 HydrophobicContact CD2-SD 3.96Å; Y157-M218 HydrophobicContact CG-SD 4.34Å; Q214-M218 VanDerWaalsContact O-CG 3.32Å; Q214-M218 WeakPolarHBondContact O-CG 3.48Å; Q214-M218 PolarHBondContact O-N 2.82Å; Q215-M218 HydrophobicContact CB-CE 4.18Å; Q215-M218 HydrophobicContact CG-CE 3.72Å; M218-E220 PolarHBondContact O-N 3.04Å; M218-M221 PolarHBondContact O-N 2.9Å; M218-W222 VanDerWaalsContact C-CE3 3.5Å; M218-W222 HydrophobicContact CB-CD2 4.26Å; M218-W222 HydrophobicContact CB-CE3 3.91Å; M218-W222 HydrophobicContact CB-CH2 3.71Å; M218-W222 HydrophobicContact CB-CZ2 4.08Å; M218-W222 HydrophobicContact CB-CZ3 3.62Å; M218-W222 HydrophobicContact CE-CH2 4.26Å; M218-W222 HydrophobicContact CG-CH2 4.35Å; M218-W222 WeakPolarHBondContact O-CB 3.47Å; M218-W222 VanDerWaalsContact O-CD2 3.24Å; M218-W222 VanDerWaalsContact O-CG 3.27Å; M218-W222 PolarHBondContact O-N 3.29Å; M218-W222 HydrophobicContact SD-CH2 3.9Å; M218-W222 HydrophobicContact SD-CZ2 4.22Å; M218-F312 HydrophobicContact CG-CE1 3.8Å; M218-F312 HydrophobicContact CG-CZ 4.2Å; M218-M313 HydrophobicContact CB-SD 4.44Å; M218-M313 HydrophobicContact CG-SD 3.98Å; M218-L316 HydrophobicContact CG-CD2 4.05Å; M218-L316 HydrophobicContact SD-CD2 3.45Å; M218-L316 WeakPolarHBondContact SD-CD2 3.5Å |
| 219 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 177.1 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q215 V216 V217 M221 S223 F231 | Q215-T219 WeakPolarHBondContact O-CB 3.2Å; Q215-T219 PolarHBondContact O-N 2.9Å; Q215-T219 PolarHBondContact O-OG1 3.43Å; V216-T219 WeakPolarHBondContact O-CB 3.43Å; V216-T219 PolarHBondContact O-N 2.88Å; V217-T219 VanDerWaalsContact C-N 3.3Å; V217-T219 PolarHBondContact O-N 2.97Å; T219-M221 VanDerWaalsContact C-N 3.32Å; T219-M221 PolarHBondContact O-N 3.5Å; T219-S223 PolarHBondContact O-N 3.45Å; T219-F231 HydrophobicContact CG2-CB 3.92Å |
| 220 | E | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 23 Ų | 23 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.2 | -32.5 | 177.4 | -67 | 177.5 | 129.5 | 0 | 0 | 113.2 | V216 V217 M218 S223 Q224 Q295 K309 | V216-E220 WeakPolarHBondContact O-CG 3.47Å; V216-E220 PolarHBondContact O-N 3.14Å; V217-E220 PolarHBondContact O-N 3.31Å; M218-E220 PolarHBondContact O-N 3.04Å; E220-S223 PolarHBondContact O-OG 3.15Å; E220-Q224 WeakPolarHBondContact O-CG 3.37Å; E220-Q224 PolarHBondContact O-NE2 2.85Å; E220-Q295 VanDerWaalsContact OE1-CD 3.31Å; E220-Q295 PolarHBondContact OE1-NE2 2.8Å; E220-Q295 PolarHBondContact OE1-OE1 3.46Å; E220-K309 VanDerWaalsContact CD-NZ 3.26Å; E220-K309 IonicContact OE1-NZ 2.89Å; E220-K309 PolarHBondContact OE1-NZ 2.79Å; E220-K309 VanDerWaalsContact OE1-NZ 3.14Å; E220-K309 WeakPolarHBondContact OE2-CE 3.34Å; E220-K309 IonicContact OE2-NZ 3.59Å; E220-K309 PolarHBondContact OE2-NZ 2.87Å |
| 221 | M | 98.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 6% | 0.064 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -80.3 | -38.7 | -179.9 | -67.5 | -64.8 | -52.5 | 0 | 0 | 110.8 | V217 M218 T219 S223 Q224 N225 K309 R310 M313 | V217-M221 HydrophobicContact CG1-CG 4.28Å; V217-M221 WeakPolarHBondContact O-CB 3.41Å; V217-M221 VanDerWaalsContact O-CG 3.22Å; V217-M221 WeakPolarHBondContact O-CG 3.37Å; V217-M221 PolarHBondContact O-N 3.11Å; M218-M221 PolarHBondContact O-N 2.9Å; T219-M221 VanDerWaalsContact C-N 3.32Å; T219-M221 PolarHBondContact O-N 3.5Å; M221-S223 VanDerWaalsContact C-N 3.34Å; M221-S223 PolarHBondContact O-N 2.7Å; M221-Q224 PolarHBondContact O-N 2.75Å; M221-N225 WeakPolarHBondContact O-CB 3.48Å; M221-N225 VanDerWaalsContact O-CG 3.23Å; M221-N225 PolarHBondContact O-N 2.81Å; M221-K309 HydrophobicContact SD-CB 4.25Å; M221-R310 HydrophobicContact CE-CG 3.74Å; M221-M313 HydrophobicContact CB-CE 4.02Å; M221-M313 HydrophobicContact CB-CG 3.8Å; M221-M313 HydrophobicContact CB-SD 3.96Å; M221-M313 HydrophobicContact CE-CG 4.18Å; M221-M313 HydrophobicContact CG-CG 3.53Å; M221-M313 HydrophobicContact CG-SD 4.08Å; M221-M313 HydrophobicContact SD-CG 4.49Å |
| 222 | W | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 172.1 | -70.2 | -39.5 | 0 | 0 | 0 | 112.8 | T156 Y157 T160 E161 M218 Q224 N225 Y226 F231 | T156-W222 HydrophobicContact CG2-CH2 4.43Å; Y157-W222 AromaticContact CD2-CZ2 3.63Å; Y157-W222 HydrophobicContact CD2-CZ2 3.63Å; Y157-W222 HydrophobicContact CE2-CZ2 4.34Å; Y157-W222 HydrophobicContact CG-CZ2 4.36Å; T160-W222 HydrophobicContact CG2-CD2 4.12Å; T160-W222 HydrophobicContact CG2-CE3 4.07Å; T160-W222 HydrophobicContact CG2-CH2 3.99Å; T160-W222 HydrophobicContact CG2-CZ2 4.01Å; T160-W222 HydrophobicContact CG2-CZ3 4.02Å; E161-W222 PolarHBondContact OE1-NE1 2.82Å; M218-W222 VanDerWaalsContact C-CE3 3.5Å; M218-W222 HydrophobicContact CB-CD2 4.26Å; M218-W222 HydrophobicContact CB-CE3 3.91Å; M218-W222 HydrophobicContact CB-CH2 3.71Å; M218-W222 HydrophobicContact CB-CZ2 4.08Å; M218-W222 HydrophobicContact CB-CZ3 3.62Å; M218-W222 HydrophobicContact CE-CH2 4.26Å; M218-W222 HydrophobicContact CG-CH2 4.35Å; M218-W222 WeakPolarHBondContact O-CB 3.47Å; M218-W222 VanDerWaalsContact O-CD2 3.24Å; M218-W222 VanDerWaalsContact O-CG 3.27Å; M218-W222 PolarHBondContact O-N 3.29Å; M218-W222 HydrophobicContact SD-CH2 3.9Å; M218-W222 HydrophobicContact SD-CZ2 4.22Å; W222-Q224 PolarHBondContact O-N 3.48Å; W222-N225 PolarHBondContact O-N 3.28Å; W222-Y226 HydrophobicContact CB-CD2 4.35Å; W222-Y226 AromaticContact CD1-CE2 3.78Å; W222-Y226 PolarHBondContact O-N 3.43Å; W222-F231 HydrophobicContact CB-CD1 3.53Å; W222-F231 HydrophobicContact CB-CD2 4.04Å; W222-F231 HydrophobicContact CB-CE1 3.5Å; W222-F231 HydrophobicContact CB-CE2 3.99Å; W222-F231 HydrophobicContact CB-CG 3.82Å; W222-F231 HydrophobicContact CB-CZ 3.76Å; W222-F231 HydrophobicContact CD2-CD1 4.45Å; W222-F231 HydrophobicContact CD2-CE1 4.24Å; W222-F231 HydrophobicContact CE3-CD1 4.13Å; W222-F231 HydrophobicContact CE3-CE1 4.23Å; W222-F231 HydrophobicContact CG-CD1 4.27Å; W222-F231 AromaticContact CG-CE1 3.98Å; W222-F231 HydrophobicContact CG-CE1 3.98Å; W222-F231 HydrophobicContact CG-CZ 4.41Å |
| 223 | S | 98.3 | Very high | 98.3 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -28.2 | 176.5 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | T219 E220 M221 N283 G284 | T219-S223 PolarHBondContact O-N 3.45Å; E220-S223 PolarHBondContact O-OG 3.15Å; M221-S223 VanDerWaalsContact C-N 3.34Å; M221-S223 PolarHBondContact O-N 2.7Å; S223-N283 VanDerWaalsContact CB-CG 3.48Å; S223-N283 VanDerWaalsContact CB-OD1 3.31Å; S223-N283 WeakPolarHBondContact CB-OD1 3.45Å; S223-G284 WeakPolarHBondContact OG-CA 3.19Å |
| 224 | Q | 97.8 | Very high | 98.3 | Very high | 119 Ų | 119 | 22.2 Ų | 22.2 | 56% | 0.556 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -83.8 | -41.2 | 175.9 | -66.6 | 169.5 | 51.3 | 0 | 0 | 111.8 | E220 M221 W222 | E220-Q224 WeakPolarHBondContact O-CG 3.37Å; E220-Q224 PolarHBondContact O-NE2 2.85Å; M221-Q224 PolarHBondContact O-N 2.75Å; W222-Q224 PolarHBondContact O-N 3.48Å |
| 225 | N | 97.8 | Very high | 98.2 | Very high | 91 Ų | 91 | 22.3 Ų | 22.3 | 49% | 0.487 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -75.1 | -27.5 | -176.6 | -67.7 | -9.7 | 0 | 0 | 0 | 113.1 | M221 W222 | M221-N225 WeakPolarHBondContact O-CB 3.48Å; M221-N225 VanDerWaalsContact O-CG 3.23Å; M221-N225 PolarHBondContact O-N 2.81Å; W222-N225 PolarHBondContact O-N 3.28Å |
| 226 | Y | 98.4 | Very high | 98.1 | Very high | 44 Ų | 44 | 22.9 Ų | 22.9 | 17% | 0.173 | 12% | 0.118 | C | C | . | . | trans | -134.7 | 62.6 | -174.9 | -52.1 | -58.2 | 0 | 0 | 0 | 111 | E161 I164 W222 E228 I229 F231 | E161-Y226 PolarHBondContact OE2-OH 2.92Å; I164-Y226 HydrophobicContact CD1-CD2 3.54Å; I164-Y226 HydrophobicContact CD1-CE2 3.65Å; I164-Y226 HydrophobicContact CD1-CG 4.09Å; I164-Y226 HydrophobicContact CG1-CD2 4.1Å; I164-Y226 HydrophobicContact CG1-CE2 3.7Å; I164-Y226 HydrophobicContact CG2-CD1 3.98Å; I164-Y226 HydrophobicContact CG2-CE1 3.86Å; I164-Y226 HydrophobicContact CG2-CE2 4.48Å; I164-Y226 HydrophobicContact CG2-CG 4.36Å; W222-Y226 HydrophobicContact CB-CD2 4.35Å; W222-Y226 AromaticContact CD1-CE2 3.78Å; W222-Y226 PolarHBondContact O-N 3.43Å; Y226-E228 VanDerWaalsContact C-OE2 3.28Å; Y226-E228 PolarHBondContact O-N 3.15Å; Y226-E228 VanDerWaalsContact O-N 3.12Å; Y226-I229 PolarHBondContact O-N 2.99Å; Y226-I229 VanDerWaalsContact O-O 3.12Å; Y226-F231 HydrophobicContact CD2-CE2 4.36Å; Y226-F231 HydrophobicContact CD2-CZ 4.09Å | ||
| 227 | P | 97.8 | Very high | 98 | Very high | 76 Ų | 76 | 23.2 Ų | 23.2 | 49% | 0.494 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19 | -171.6 | 27.2 | -36.4 | 0 | 0 | 0 | 114.8 | I229 R279 | P227-I229 PolarHBondContact O-N 3.39Å; P227-R279 PolarHBondContact O-NH1 3.48Å; P227-R279 PolarHBondContact O-NH2 2.77Å; P227-R279 VanDerWaalsContact O-NH2 3.1Å |
| 228 | E | 97.4 | Very high | 97.9 | Very high | 80 Ų | 80 | 24 Ų | 24 | 37% | 0.374 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.6 | 172.5 | 72.1 | -71.6 | 171.8 | 0 | 0 | 113.8 | K168 Y226 R279 | K168-E228 WeakPolarHBondContact CE-OE1 3.24Å; K168-E228 HydrophobicContact CG-CG 4.28Å; K168-E228 IonicContact NZ-OE1 3.06Å; Y226-E228 VanDerWaalsContact C-OE2 3.28Å; Y226-E228 PolarHBondContact O-N 3.15Å; Y226-E228 VanDerWaalsContact O-N 3.12Å; E228-R279 PolarHBondContact O-NH2 3.31Å |
| 229 | I | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -109.6 | 136.8 | 171.1 | -59.1 | 160.6 | 0 | 0 | 0 | 108.6 | I164 L167 K168 A173 V175 Y226 P227 F231 N283 | I164-I229 HydrophobicContact CD1-CD1 3.96Å; I164-I229 HydrophobicContact CG2-CD1 4.4Å; L167-I229 HydrophobicContact CB-CD1 3.51Å; L167-I229 HydrophobicContact CB-CG1 4.06Å; L167-I229 HydrophobicContact CD1-CD1 4.38Å; K168-I229 HydrophobicContact CG-CD1 4.14Å; A173-I229 HydrophobicContact CB-CB 4.26Å; A173-I229 HydrophobicContact CB-CG1 3.88Å; A173-I229 HydrophobicContact CB-CG2 3.99Å; V175-I229 HydrophobicContact CG2-CG2 3.91Å; Y226-I229 PolarHBondContact O-N 2.99Å; Y226-I229 VanDerWaalsContact O-O 3.12Å; P227-I229 PolarHBondContact O-N 3.39Å; I229-F231 HydrophobicContact CB-CD2 4.23Å; I229-F231 HydrophobicContact CB-CE2 3.51Å; I229-F231 HydrophobicContact CB-CZ 4.04Å; I229-F231 HydrophobicContact CD1-CE2 4.46Å; I229-F231 HydrophobicContact CD1-CZ 4.32Å; I229-F231 HydrophobicContact CG2-CD2 4.05Å; I229-F231 HydrophobicContact CG2-CE1 4.43Å; I229-F231 HydrophobicContact CG2-CE2 3.51Å; I229-F231 HydrophobicContact CG2-CZ 3.71Å; I229-F231 WeakPolarHBondContact O-CD2 3.16Å; I229-F231 PolarHBondContact O-N 3.27Å; I229-N283 PolarHBondContact O-ND2 3.45Å |
| 230 | F | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.3 | 174.6 | -177.4 | -95.5 | 0 | 0 | 0 | 110.7 | A173 R174 V175 C232 V278 F281 N283 F287 | A173-F230 PolarHBondContact O-N 3.34Å; R174-F230 CarbonylContact C-O 3.45Å; R174-F230 WeakPolarHBondContact CA-O 3.36Å; R174-F230 HydrophobicContact CB-CB 4.08Å; R174-F230 HydrophobicContact CB-CD1 4.19Å; V175-F230 PolarHBondContact N-O 3.45Å; F230-C232 HydrophobicContact CD1-CB 4.42Å; F230-C232 HydrophobicContact CE1-CB 3.6Å; F230-C232 HydrophobicContact CZ-CB 4.08Å; F230-V278 HydrophobicContact CB-CG1 4Å; F230-V278 HydrophobicContact CD1-CB 4.32Å; F230-V278 HydrophobicContact CD1-CG1 3.8Å; F230-V278 HydrophobicContact CD1-CG2 3.55Å; F230-V278 HydrophobicContact CD2-CG1 4.2Å; F230-V278 HydrophobicContact CE1-CB 4.39Å; F230-V278 HydrophobicContact CE1-CG1 4.34Å; F230-V278 HydrophobicContact CE1-CG2 3.27Å; F230-V278 HydrophobicContact CE2-CG2 4.34Å; F230-V278 HydrophobicContact CG-CG1 3.72Å; F230-V278 HydrophobicContact CG-CG2 4.21Å; F230-V278 HydrophobicContact CZ-CG2 3.71Å; F230-F281 HydrophobicContact CE2-CB 4.41Å; F230-F281 HydrophobicContact CZ-CB 4.25Å; F230-N283 HydrophobicContact CD2-CB 4.43Å; F230-F287 HydrophobicContact CZ-CE2 4.46Å |
| 231 | F | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134 | 173.3 | -66.5 | -95.3 | 0 | 0 | 0 | 110.3 | T160 I164 V175 T219 W222 Y226 I229 N283 G284 | T160-F231 HydrophobicContact CG2-CE1 4.06Å; I164-F231 HydrophobicContact CD1-CE1 4.5Å; I164-F231 HydrophobicContact CD1-CZ 3.85Å; V175-F231 HydrophobicContact CB-CD1 3.53Å; V175-F231 HydrophobicContact CB-CE1 3.72Å; V175-F231 HydrophobicContact CB-CG 4.32Å; V175-F231 HydrophobicContact CG1-CD1 3.95Å; V175-F231 HydrophobicContact CG1-CE1 4.09Å; V175-F231 HydrophobicContact CG2-CD1 3.87Å; V175-F231 HydrophobicContact CG2-CE1 3.5Å; V175-F231 HydrophobicContact CG2-CZ 4.08Å; T219-F231 HydrophobicContact CG2-CB 3.92Å; W222-F231 HydrophobicContact CB-CD1 3.53Å; W222-F231 HydrophobicContact CB-CD2 4.04Å; W222-F231 HydrophobicContact CB-CE1 3.5Å; W222-F231 HydrophobicContact CB-CE2 3.99Å; W222-F231 HydrophobicContact CB-CG 3.82Å; W222-F231 HydrophobicContact CB-CZ 3.76Å; W222-F231 HydrophobicContact CD2-CD1 4.45Å; W222-F231 HydrophobicContact CD2-CE1 4.24Å; W222-F231 HydrophobicContact CE3-CD1 4.13Å; W222-F231 HydrophobicContact CE3-CE1 4.23Å; W222-F231 HydrophobicContact CG-CD1 4.27Å; W222-F231 AromaticContact CG-CE1 3.98Å; W222-F231 HydrophobicContact CG-CE1 3.98Å; W222-F231 HydrophobicContact CG-CZ 4.41Å; Y226-F231 HydrophobicContact CD2-CE2 4.36Å; Y226-F231 HydrophobicContact CD2-CZ 4.09Å; I229-F231 HydrophobicContact CB-CD2 4.23Å; I229-F231 HydrophobicContact CB-CE2 3.51Å; I229-F231 HydrophobicContact CB-CZ 4.04Å; I229-F231 HydrophobicContact CD1-CE2 4.46Å; I229-F231 HydrophobicContact CD1-CZ 4.32Å; I229-F231 HydrophobicContact CG2-CD2 4.05Å; I229-F231 HydrophobicContact CG2-CE1 4.43Å; I229-F231 HydrophobicContact CG2-CE2 3.51Å; I229-F231 HydrophobicContact CG2-CZ 3.71Å; I229-F231 WeakPolarHBondContact O-CD2 3.16Å; I229-F231 PolarHBondContact O-N 3.27Å; F231-N283 PolarHBondContact N-OD1 3.17Å; F231-N283 PolarHBondContact O-OD1 3.41Å; F231-N283 VanDerWaalsContact O-OD1 3.04Å; F231-G284 WeakPolarHBondContact O-CA 3.39Å; F231-G284 PolarHBondContact O-N 3.06Å |
| 232 | C | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.5 | 169.1 | 63 | 0 | 0 | 0 | 0 | 110.7 | V175 T177 F230 S285 F287 | V175-C232 PolarHBondContact O-N 3.26Å; T177-C232 PolarHBondContact N-O 3.34Å; F230-C232 HydrophobicContact CD1-CB 4.42Å; F230-C232 HydrophobicContact CE1-CB 3.6Å; F230-C232 HydrophobicContact CZ-CB 4.08Å; C232-S285 WeakPolarHBondContact CA-O 3.37Å; C232-F287 HydrophobicContact CB-CD2 3.93Å; C232-F287 HydrophobicContact CB-CE2 3.66Å |
| 233 | S | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 153.4 | 171.3 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | T177 S285 F286 F287 | T177-S233 CarbonylContact O-C 3.59Å; T177-S233 WeakPolarHBondContact O-CA 3.36Å; T177-S233 WeakPolarHBondContact O-CB 3.48Å; S233-S285 PolarHBondContact N-O 3.34Å; S233-F286 CarbonylContact O-C 3.59Å; S233-F286 VanDerWaalsContact O-CA 3.26Å; S233-F286 WeakPolarHBondContact O-CA 3.5Å; S233-F286 WeakPolarHBondContact OG-CD2 3.41Å; S233-F287 PolarHBondContact O-N 3.15Å |
| 234 | M | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 162.2 | 179.6 | 64.3 | 76.3 | 80 | 0 | 0 | 111 | I176 T177 V178 S179 P236 A268 A269 L272 F287 | I176-M234 HydrophobicContact CG2-CG 3.94Å; T177-M234 PolarHBondContact O-N 3.36Å; V178-M234 HydrophobicContact CB-SD 4.13Å; V178-M234 HydrophobicContact CG1-SD 3.83Å; V178-M234 HydrophobicContact CG2-SD 3.94Å; S179-M234 WeakPolarHBondContact CA-O 3.18Å; S179-M234 PolarHBondContact N-O 2.91Å; M234-P236 HydrophobicContact CE-CB 4.41Å; M234-A268 HydrophobicContact CE-CB 3.65Å; M234-A269 HydrophobicContact CE-CB 3.94Å; M234-A269 HydrophobicContact CG-CB 4.4Å; M234-A269 HydrophobicContact SD-CB 4.36Å; M234-L272 HydrophobicContact CB-CD1 4.04Å; M234-L272 HydrophobicContact CG-CD1 4.31Å; M234-F287 CarbonylContact C-O 3.57Å; M234-F287 WeakPolarHBondContact CA-O 3.28Å; M234-F287 HydrophobicContact CB-CB 4.06Å |
| 235 | H | 96.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | trans | -119.7 | 131.7 | 170.8 | 151.9 | 61.7 | 0 | 0 | 0 | 110.4 | Y17 G181 G237 F286 F287 | Y17-H235 AromaticContact CD1-CD2 4Å; Y17-H235 AromaticContact CD1-NE2 3.29Å; Y17-H235 VanDerWaalsContact CD1-NE2 3.29Å; Y17-H235 WeakPolarHBondContact CD1-NE2 3.34Å; Y17-H235 AromaticContact CD2-NE2 3.68Å; Y17-H235 AromaticContact CE1-CD2 3.98Å; Y17-H235 AromaticContact CE1-NE2 3.61Å; Y17-H235 AromaticContact CE2-NE2 3.96Å; Y17-H235 AromaticContact CG-NE2 3.36Å; Y17-H235 AromaticContact CZ-NE2 3.91Å; G181-H235 PolarHBondContact N-CE1 2.87Å; G181-H235 PolarHBondContact N-ND1 2.91Å; H235-G237 VanDerWaalsContact C-N 3.25Å; H235-G237 WeakPolarHBondContact CE1-CA 3.49Å; H235-G237 PolarHBondContact CE1-N 2.92Å; H235-G237 PolarHBondContact CE1-O 3.36Å; H235-G237 PolarHBondContact ND1-N 2.96Å; H235-G237 VanDerWaalsContact NE2-CA 3.25Å; H235-G237 WeakPolarHBondContact NE2-CA 3.23Å; H235-G237 PolarHBondContact NE2-N 3.37Å; H235-G237 PolarHBondContact O-N 3.41Å; H235-F286 HydrophobicContact CB-CE1 4.39Å; H235-F286 HydrophobicContact CB-CE2 4.24Å; H235-F286 HydrophobicContact CB-CZ 3.57Å; H235-F287 PolarHBondContact N-O 3.17Å | ||
| 236 | P | 97 | Very high | 93.9 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -82.2 | 10.1 | -174.1 | 33.6 | -38.9 | 0 | 0 | 0 | 114.8 | I53 V178 S179 M234 R260 G265 | I53-P236 HydrophobicContact CD1-CB 3.52Å; I53-P236 HydrophobicContact CD1-CG 3.76Å; V178-P236 HydrophobicContact CG1-CG 4.13Å; S179-P236 WeakPolarHBondContact O-CD 3.39Å; M234-P236 HydrophobicContact CE-CB 4.41Å; P236-R260 WeakPolarHBondContact O-CD 3.48Å; P236-G265 WeakPolarHBondContact CB-O 3.25Å; P236-G265 WeakPolarHBondContact O-CA 3.49Å | ||
| 237 | G | 96 | Very high | 93.3 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | trans | 70 | -161.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H235 A239 | H235-G237 VanDerWaalsContact C-N 3.25Å; H235-G237 WeakPolarHBondContact CE1-CA 3.49Å; H235-G237 PolarHBondContact CE1-N 2.92Å; H235-G237 PolarHBondContact CE1-O 3.36Å; H235-G237 PolarHBondContact ND1-N 2.96Å; H235-G237 VanDerWaalsContact NE2-CA 3.25Å; H235-G237 WeakPolarHBondContact NE2-CA 3.23Å; H235-G237 PolarHBondContact NE2-N 3.37Å; H235-G237 PolarHBondContact O-N 3.41Å; G237-A239 PolarHBondContact O-N 3.15Å | ||
| 238 | W | 94.7 | Very high | 92.9 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -92.9 | 85.4 | 171.9 | -65.5 | -22.8 | 0 | 0 | 0 | 108.7 | W9 F10 M14 Y17 T18 F251 M255 L259 R260 | W9-W238 HydrophobicContact CE3-CZ2 4.19Å; W9-W238 AromaticContact CH2-CE2 3.69Å; W9-W238 AromaticContact CH2-CZ2 3.47Å; W9-W238 HydrophobicContact CH2-CZ2 3.47Å; W9-W238 VanDerWaalsContact CH2-CZ2 3.47Å; W9-W238 AromaticContact CH2-NE1 3.42Å; W9-W238 AromaticContact CZ2-CZ2 4Å; W9-W238 HydrophobicContact CZ2-CZ2 4Å; W9-W238 AromaticContact CZ2-NE1 3.44Å; W9-W238 HydrophobicContact CZ3-CH2 4.48Å; W9-W238 AromaticContact CZ3-CZ2 3.58Å; W9-W238 HydrophobicContact CZ3-CZ2 3.58Å; F10-W238 AromaticContact CD2-CH2 3.88Å; F10-W238 HydrophobicContact CD2-CH2 3.88Å; F10-W238 HydrophobicContact CE2-CH2 4.01Å; M14-W238 HydrophobicContact CG-CZ3 4.49Å; M14-W238 HydrophobicContact SD-CZ3 3.99Å; Y17-W238 HydrophobicContact CD2-CD2 4.47Å; Y17-W238 AromaticContact CD2-CE2 3.81Å; Y17-W238 HydrophobicContact CD2-CZ2 4.1Å; Y17-W238 AromaticContact CD2-NE1 3.62Å; Y17-W238 PolarHBondContact O-N 3.17Å; T18-W238 HydrophobicContact CG2-CE3 3.94Å; T18-W238 HydrophobicContact CG2-CZ3 4.12Å; W238-F251 HydrophobicContact CB-CZ 4.39Å; W238-F251 HydrophobicContact CD2-CE2 4.37Å; W238-F251 AromaticContact CD2-CZ 3.61Å; W238-F251 HydrophobicContact CD2-CZ 3.61Å; W238-F251 AromaticContact CE2-CZ 3.85Å; W238-F251 HydrophobicContact CE3-CE2 4.49Å; W238-F251 AromaticContact CE3-CZ 3.91Å; W238-F251 HydrophobicContact CE3-CZ 3.91Å; W238-F251 HydrophobicContact CG-CE1 4.43Å; W238-F251 AromaticContact CG-CZ 3.86Å; W238-F251 HydrophobicContact CG-CZ 3.86Å; W238-F251 HydrophobicContact CH2-CE2 4.47Å; W238-F251 HydrophobicContact CZ2-CE2 4.34Å; W238-F251 HydrophobicContact CZ2-CZ 4.35Å; W238-F251 HydrophobicContact CZ3-CZ 4.4Å; W238-M255 HydrophobicContact CE3-CE 3.78Å; W238-M255 HydrophobicContact CZ3-CE 3.57Å; W238-L259 HydrophobicContact CB-CD2 3.72Å; W238-L259 CarbonylContact O-C 3.58Å; W238-L259 VanDerWaalsContact O-CA 3.28Å; W238-L259 WeakPolarHBondContact O-CA 3.23Å; W238-L259 WeakPolarHBondContact O-CB 3.35Å; W238-L259 WeakPolarHBondContact O-CD2 3.45Å; W238-R260 PolarHBondContact O-N 3.43Å |
| 239 | A | 92.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 5% | 0.05 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 137.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I53 G237 T241 R260 | I53-A239 HydrophobicContact CD1-CB 4.12Å; G237-A239 PolarHBondContact O-N 3.15Å; A239-T241 HydrophobicContact CB-CG2 4.29Å; A239-T241 PolarHBondContact O-N 2.98Å; A239-R260 CarbonylContact C-O 3.56Å; A239-R260 WeakPolarHBondContact CA-O 3.33Å |
| 240 | D | 91.5 | Very high | 92.2 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | trans | -72.2 | 107.8 | 171.9 | -167.9 | -6.9 | 0 | 0 | 0 | 109.3 | Y252 L259 R260 P262 | D240-Y252 WeakPolarHBondContact OD1-CE2 3.09Å; D240-L259 HydrophobicContact CB-CB 3.83Å; D240-L259 HydrophobicContact CB-CD1 4.09Å; D240-R260 WeakPolarHBondContact CB-O 3.49Å; D240-R260 PolarHBondContact N-O 3.1Å; D240-P262 WeakPolarHBondContact O-CG 3.3Å | ||
| 241 | T | 86.2 | Confident | 91.8 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | trans | -141.3 | 153.9 | 179.1 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | A239 A243 V244 A245 | A239-T241 HydrophobicContact CB-CG2 4.29Å; A239-T241 PolarHBondContact O-N 2.98Å; T241-A243 PolarHBondContact O-N 3.35Å; T241-A243 VanDerWaalsContact O-N 3.08Å; T241-V244 PolarHBondContact O-N 2.79Å; T241-V244 WeakPolarHBondContact OG1-CG2 3.43Å; T241-V244 PolarHBondContact OG1-N 2.77Å; T241-A245 PolarHBondContact O-N 2.97Å; T241-A245 VanDerWaalsContact O-N 3.17Å | ||
| 242 | P | 86.4 | Confident | 91.5 | Very high | 91 Ų | 91 | 38 Ų | 38 | 59% | 0.591 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -53.7 | -32.7 | 175.3 | -27.7 | 35.2 | 0 | 0 | 0 | 113.4 | L246 | P242-L246 WeakPolarHBondContact O-CB 3.24Å; P242-L246 PolarHBondContact O-N 2.91Å |
| 243 | A | 84 | Confident | 91.2 | Very high | 55 Ų | 55 | 43 Ų | 43 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T241 S247 | T241-A243 PolarHBondContact O-N 3.35Å; T241-A243 VanDerWaalsContact O-N 3.08Å; A243-S247 VanDerWaalsContact O-CB 3.28Å; A243-S247 WeakPolarHBondContact O-CB 3.49Å; A243-S247 PolarHBondContact O-N 2.86Å; A243-S247 PolarHBondContact O-OG 3.42Å |
| 244 | V | 85.4 | Confident | 91 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.5 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | T241 L246 M248 F251 Y252 L259 | T241-V244 PolarHBondContact O-N 2.79Å; T241-V244 WeakPolarHBondContact OG1-CG2 3.43Å; T241-V244 PolarHBondContact OG1-N 2.77Å; V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 3.24Å; V244-M248 HydrophobicContact CB-CE 4.41Å; V244-M248 HydrophobicContact CG1-CE 4.14Å; V244-M248 HydrophobicContact CG2-CE 4.04Å; V244-M248 CarbonylContact O-C 3.58Å; V244-M248 PolarHBondContact O-N 2.76Å; V244-F251 HydrophobicContact CG1-CD1 4.32Å; V244-Y252 HydrophobicContact CG1-CD2 4.35Å; V244-L259 HydrophobicContact CG1-CD1 4.48Å |
| 245 | A | 88 | Confident | 90.8 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T241 Y252 | T241-A245 PolarHBondContact O-N 2.97Å; T241-A245 VanDerWaalsContact O-N 3.17Å; A245-Y252 HydrophobicContact CB-CD1 4.16Å; A245-Y252 HydrophobicContact CB-CD2 3.92Å; A245-Y252 HydrophobicContact CB-CE1 4.2Å; A245-Y252 HydrophobicContact CB-CE2 3.99Å; A245-Y252 HydrophobicContact CB-CG 4.01Å |
| 246 | L | 88.4 | Confident | 90.6 | Very high | 145 Ų | 145 | 55.3 Ų | 55.3 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -75 | -47.8 | -179.9 | -176.9 | 66 | 0 | 0 | 0 | 112.7 | P242 V244 | P242-L246 WeakPolarHBondContact O-CB 3.24Å; P242-L246 PolarHBondContact O-N 2.91Å; V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 3.24Å |
| 247 | S | 87.1 | Confident | 90.5 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -85.6 | -22.9 | -170.2 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | M134 N136 A243 | M134-S247 WeakPolarHBondContact O-CB 3.46Å; M134-S247 PolarHBondContact O-OG 3.02Å; N136-S247 PolarHBondContact ND2-O 3.12Å; A243-S247 VanDerWaalsContact O-CB 3.28Å; A243-S247 WeakPolarHBondContact O-CB 3.49Å; A243-S247 PolarHBondContact O-N 2.86Å; A243-S247 PolarHBondContact O-OG 3.42Å |
| 248 | M | 88.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 22% | 0.222 | 36% | 0.361 | C | S | . | . | trans | -134.7 | 61.4 | -177.9 | -61.9 | -178 | -76.1 | 0 | 0 | 112.2 | M134 V244 S250 F251 Y252 | M134-M248 HydrophobicContact CE-CE 3.95Å; M134-M248 HydrophobicContact CE-CG 4.18Å; M134-M248 HydrophobicContact CE-SD 3.73Å; M134-M248 HydrophobicContact SD-CE 4.4Å; M134-M248 HydrophobicContact SD-CG 3.52Å; M134-M248 VanDerWaalsContact SD-CG 3.52Å; M134-M248 HydrophobicContact SD-SD 3.92Å; V244-M248 HydrophobicContact CB-CE 4.41Å; V244-M248 HydrophobicContact CG1-CE 4.14Å; V244-M248 HydrophobicContact CG2-CE 4.04Å; V244-M248 CarbonylContact O-C 3.58Å; V244-M248 PolarHBondContact O-N 2.76Å; M248-S250 VanDerWaalsContact C-N 3.35Å; M248-S250 PolarHBondContact O-N 3.03Å; M248-F251 HydrophobicContact CB-CB 4.05Å; M248-F251 PolarHBondContact O-N 3.18Å; M248-F251 VanDerWaalsContact O-N 3.12Å; M248-Y252 WeakPolarHBondContact O-CB 3.28Å; M248-Y252 PolarHBondContact O-N 3.35Å | ||
| 249 | P | 90.7 | Very high | 90.6 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | -170.3 | 23.4 | -34.4 | 0 | 0 | 0 | 113.4 | Y252 N253 | P249-Y252 PolarHBondContact O-N 2.9Å; P249-N253 WeakPolarHBondContact O-CB 3.48Å; P249-N253 VanDerWaalsContact O-CG 3.26Å; P249-N253 PolarHBondContact O-N 3.06Å; P249-N253 PolarHBondContact O-ND2 3.37Å |
| 250 | S | 91 | Very high | 90.8 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 178 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | M248 K254 | M248-S250 VanDerWaalsContact C-N 3.35Å; M248-S250 PolarHBondContact O-N 3.03Å; S250-K254 WeakPolarHBondContact O-CB 3.37Å; S250-K254 PolarHBondContact O-N 3.46Å |
| 251 | F | 89.9 | Confident | 91.1 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 175.5 | 176.8 | -94.5 | 0 | 0 | 0 | 110.5 | W238 V244 M248 N253 K254 M255 L259 | W238-F251 HydrophobicContact CB-CZ 4.39Å; W238-F251 HydrophobicContact CD2-CE2 4.37Å; W238-F251 AromaticContact CD2-CZ 3.61Å; W238-F251 HydrophobicContact CD2-CZ 3.61Å; W238-F251 AromaticContact CE2-CZ 3.85Å; W238-F251 HydrophobicContact CE3-CE2 4.49Å; W238-F251 AromaticContact CE3-CZ 3.91Å; W238-F251 HydrophobicContact CE3-CZ 3.91Å; W238-F251 HydrophobicContact CG-CE1 4.43Å; W238-F251 AromaticContact CG-CZ 3.86Å; W238-F251 HydrophobicContact CG-CZ 3.86Å; W238-F251 HydrophobicContact CH2-CE2 4.47Å; W238-F251 HydrophobicContact CZ2-CE2 4.34Å; W238-F251 HydrophobicContact CZ2-CZ 4.35Å; W238-F251 HydrophobicContact CZ3-CZ 4.4Å; V244-F251 HydrophobicContact CG1-CD1 4.32Å; M248-F251 HydrophobicContact CB-CB 4.05Å; M248-F251 PolarHBondContact O-N 3.18Å; M248-F251 VanDerWaalsContact O-N 3.12Å; F251-N253 PolarHBondContact O-N 3.25Å; F251-K254 PolarHBondContact O-N 3.44Å; F251-M255 HydrophobicContact CD2-CG 4Å; F251-M255 HydrophobicContact CE1-CB 4.19Å; F251-M255 HydrophobicContact CE1-CG 4.23Å; F251-M255 HydrophobicContact CE2-CG 3.67Å; F251-M255 HydrophobicContact CG-CG 4.41Å; F251-M255 HydrophobicContact CZ-CB 4.17Å; F251-M255 HydrophobicContact CZ-CG 3.79Å; F251-M255 VanDerWaalsContact O-CB 3.28Å; F251-M255 WeakPolarHBondContact O-CB 3.48Å; F251-M255 WeakPolarHBondContact O-CG 3.49Å; F251-M255 PolarHBondContact O-N 2.9Å; F251-L259 HydrophobicContact CE1-CD2 3.94Å; F251-L259 HydrophobicContact CZ-CD2 4.5Å |
| 252 | Y | 92 | Very high | 91.5 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 177.5 | 178.1 | -100.3 | 0 | 0 | 0 | 111.5 | D240 V244 A245 M248 P249 K254 M255 K256 L259 | D240-Y252 WeakPolarHBondContact OD1-CE2 3.09Å; V244-Y252 HydrophobicContact CG1-CD2 4.35Å; A245-Y252 HydrophobicContact CB-CD1 4.16Å; A245-Y252 HydrophobicContact CB-CD2 3.92Å; A245-Y252 HydrophobicContact CB-CE1 4.2Å; A245-Y252 HydrophobicContact CB-CE2 3.99Å; A245-Y252 HydrophobicContact CB-CG 4.01Å; M248-Y252 WeakPolarHBondContact O-CB 3.28Å; M248-Y252 PolarHBondContact O-N 3.35Å; P249-Y252 PolarHBondContact O-N 2.9Å; Y252-K254 VanDerWaalsContact C-N 3.25Å; Y252-K254 PolarHBondContact O-N 2.88Å; Y252-M255 PolarHBondContact O-N 2.82Å; Y252-M255 VanDerWaalsContact O-N 3.07Å; Y252-K256 HydrophobicContact CD2-CB 4.49Å; Y252-K256 HydrophobicContact CE1-CB 4.31Å; Y252-K256 HydrophobicContact CE1-CD 4.49Å; Y252-K256 HydrophobicContact CE2-CB 4.14Å; Y252-K256 WeakPolarHBondContact O-CA 3.44Å; Y252-K256 VanDerWaalsContact O-CB 3.28Å; Y252-K256 WeakPolarHBondContact O-CB 3.44Å; Y252-K256 PolarHBondContact O-N 3.36Å; Y252-L259 HydrophobicContact CD2-CD1 3.65Å; Y252-L259 HydrophobicContact CE2-CD1 3.91Å |
| 253 | N | 93.3 | Very high | 92 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.1 | -36.9 | 179.6 | -75.3 | -27.3 | 0 | 0 | 0 | 112.9 | P249 F251 | P249-N253 WeakPolarHBondContact O-CB 3.48Å; P249-N253 VanDerWaalsContact O-CG 3.26Å; P249-N253 PolarHBondContact O-N 3.06Å; P249-N253 PolarHBondContact O-ND2 3.37Å; F251-N253 PolarHBondContact O-N 3.25Å |
| 254 | K | 93.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 64.9 Ų | 64.9 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.5 | -33.2 | 177.4 | -174 | 175 | -179.5 | 177.3 | 0 | 112.8 | S250 F251 Y252 | S250-K254 WeakPolarHBondContact O-CB 3.37Å; S250-K254 PolarHBondContact O-N 3.46Å; F251-K254 PolarHBondContact O-N 3.44Å; Y252-K254 VanDerWaalsContact C-N 3.25Å; Y252-K254 PolarHBondContact O-N 2.88Å |
| 255 | M | 93.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -111.7 | -10.5 | -166.5 | -64.8 | -55.8 | -56.5 | 0 | 0 | 114.9 | F10 M14 T18 W238 F251 Y252 N257 K258 L259 | F10-M255 HydrophobicContact CE2-SD 4.47Å; F10-M255 HydrophobicContact CZ-SD 4.43Å; M14-M255 HydrophobicContact CE-CE 4.45Å; M14-M255 HydrophobicContact SD-CE 3.59Å; M14-M255 VanDerWaalsContact SD-CE 3.59Å; M14-M255 HydrophobicContact SD-SD 4.18Å; T18-M255 HydrophobicContact CG2-CE 4.17Å; W238-M255 HydrophobicContact CE3-CE 3.78Å; W238-M255 HydrophobicContact CZ3-CE 3.57Å; F251-M255 HydrophobicContact CD2-CG 4Å; F251-M255 HydrophobicContact CE1-CB 4.19Å; F251-M255 HydrophobicContact CE1-CG 4.23Å; F251-M255 HydrophobicContact CE2-CG 3.67Å; F251-M255 HydrophobicContact CG-CG 4.41Å; F251-M255 HydrophobicContact CZ-CB 4.17Å; F251-M255 HydrophobicContact CZ-CG 3.79Å; F251-M255 VanDerWaalsContact O-CB 3.28Å; F251-M255 WeakPolarHBondContact O-CB 3.48Å; F251-M255 WeakPolarHBondContact O-CG 3.49Å; F251-M255 PolarHBondContact O-N 2.9Å; Y252-M255 PolarHBondContact O-N 2.82Å; Y252-M255 VanDerWaalsContact O-N 3.07Å; M255-N257 VanDerWaalsContact C-N 3.25Å; M255-N257 PolarHBondContact O-N 3.14Å; M255-K258 HydrophobicContact CE-CB 3.98Å; M255-K258 HydrophobicContact CE-CD 4.06Å; M255-K258 CarbonylContact O-C 3.6Å; M255-K258 WeakPolarHBondContact O-CA 3.39Å; M255-K258 WeakPolarHBondContact O-CB 3.5Å; M255-K258 PolarHBondContact O-N 2.93Å; M255-L259 HydrophobicContact CB-CD2 3.86Å; M255-L259 HydrophobicContact CB-CG 4.3Å; M255-L259 WeakPolarHBondContact O-CG 3.42Å; M255-L259 PolarHBondContact O-N 3.17Å; M255-L259 VanDerWaalsContact O-N 3.12Å |
| 256 | K | 93.6 | Very high | 93.7 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -46.3 | -42 | -170.3 | 58.6 | 178.9 | -174.9 | 178.9 | 0 | 114.6 | Y252 K258 L259 | Y252-K256 HydrophobicContact CD2-CB 4.49Å; Y252-K256 HydrophobicContact CE1-CB 4.31Å; Y252-K256 HydrophobicContact CE1-CD 4.49Å; Y252-K256 HydrophobicContact CE2-CB 4.14Å; Y252-K256 WeakPolarHBondContact O-CA 3.44Å; Y252-K256 VanDerWaalsContact O-CB 3.28Å; Y252-K256 WeakPolarHBondContact O-CB 3.44Å; Y252-K256 PolarHBondContact O-N 3.36Å; K256-K258 PolarHBondContact O-N 3.2Å; K256-L259 PolarHBondContact O-N 2.95Å |
| 257 | N | 94.4 | Very high | 94.2 | Very high | 145 Ų | 145 | 56.1 Ų | 56.1 | 78% | 0.775 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -74.9 | -4.7 | -179.5 | -60.3 | -19.1 | 0 | 0 | 0 | 114.2 | M255 | M255-N257 VanDerWaalsContact C-N 3.25Å; M255-N257 PolarHBondContact O-N 3.14Å |
| 258 | K | 96.1 | Very high | 94.7 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -122 | -5.7 | -178.9 | -59.9 | -175 | 179.4 | -174.4 | 0 | 112.5 | M14 T18 K19 M255 K256 | M14-K258 HydrophobicContact CE-CD 3.9Å; T18-K258 CarbonylContact C-O 3.53Å; T18-K258 WeakPolarHBondContact CA-O 3.5Å; T18-K258 WeakPolarHBondContact CB-O 2.71Å; T18-K258 HydrophobicContact CG2-CB 4.1Å; K19-K258 PolarHBondContact N-O 3.14Å; M255-K258 HydrophobicContact CE-CB 3.98Å; M255-K258 HydrophobicContact CE-CD 4.06Å; M255-K258 CarbonylContact O-C 3.6Å; M255-K258 WeakPolarHBondContact O-CA 3.39Å; M255-K258 WeakPolarHBondContact O-CB 3.5Å; M255-K258 PolarHBondContact O-N 2.93Å; K256-K258 PolarHBondContact O-N 3.2Å |
| 259 | L | 95.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -65.8 | 144.2 | 176.8 | -63.5 | -179.3 | 0 | 0 | 0 | 109.5 | W238 D240 V244 F251 Y252 M255 K256 | W238-L259 HydrophobicContact CB-CD2 3.72Å; W238-L259 CarbonylContact O-C 3.58Å; W238-L259 VanDerWaalsContact O-CA 3.28Å; W238-L259 WeakPolarHBondContact O-CA 3.23Å; W238-L259 WeakPolarHBondContact O-CB 3.35Å; W238-L259 WeakPolarHBondContact O-CD2 3.45Å; D240-L259 HydrophobicContact CB-CB 3.83Å; D240-L259 HydrophobicContact CB-CD1 4.09Å; V244-L259 HydrophobicContact CG1-CD1 4.48Å; F251-L259 HydrophobicContact CE1-CD2 3.94Å; F251-L259 HydrophobicContact CZ-CD2 4.5Å; Y252-L259 HydrophobicContact CD2-CD1 3.65Å; Y252-L259 HydrophobicContact CE2-CD1 3.91Å; M255-L259 HydrophobicContact CB-CD2 3.86Å; M255-L259 HydrophobicContact CB-CG 4.3Å; M255-L259 WeakPolarHBondContact O-CG 3.42Å; M255-L259 PolarHBondContact O-N 3.17Å; M255-L259 VanDerWaalsContact O-N 3.12Å; K256-L259 PolarHBondContact O-N 2.95Å |
| 260 | R | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 147.4 | 171.3 | -70.9 | -178.4 | -176.9 | -156.7 | -2.2 | 109.6 | E16 Y17 T18 P236 W238 A239 D240 Q264 D289 | E16-R260 PolarHBondContact O-NH2 3.36Å; Y17-R260 PolarHBondContact O-NE 3.39Å; Y17-R260 VanDerWaalsContact O-NE 3.08Å; T18-R260 PolarHBondContact O-NE 3.34Å; P236-R260 WeakPolarHBondContact O-CD 3.48Å; W238-R260 PolarHBondContact O-N 3.43Å; A239-R260 CarbonylContact C-O 3.56Å; A239-R260 WeakPolarHBondContact CA-O 3.33Å; D240-R260 WeakPolarHBondContact CB-O 3.49Å; D240-R260 PolarHBondContact N-O 3.1Å; R260-Q264 VanDerWaalsContact CA-OE1 3.29Å; R260-Q264 HydrophobicContact CB-CB 3.9Å; R260-Q264 HydrophobicContact CG-CB 4.3Å; R260-D289 IonicContact CZ-OD1 2.76Å; R260-D289 IonicContact CZ-OD2 3.3Å; R260-D289 IonicContact NH1-OD1 2.91Å; R260-D289 PolarHBondContact NH1-OD1 3.42Å; R260-D289 VanDerWaalsContact NH2-CG 3.27Å; R260-D289 IonicContact NH2-OD1 2.67Å; R260-D289 PolarHBondContact NH2-OD1 3.02Å; R260-D289 IonicContact NH2-OD2 3.75Å; R260-D289 PolarHBondContact NH2-OD2 3.08Å |
| 261 | T | 96.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 160.4 | 168.7 | 78 | 0 | 0 | 0 | 0 | 110.1 | E263 Q264 G265 | T261-E263 WeakPolarHBondContact CB-OE2 3.3Å; T261-E263 PolarHBondContact O-N 2.92Å; T261-E263 PolarHBondContact OG1-N 3.46Å; T261-E263 PolarHBondContact OG1-OE2 3.31Å; T261-Q264 VanDerWaalsContact N-OE1 3.08Å; T261-Q264 PolarHBondContact O-N 3.35Å; T261-Q264 PolarHBondContact OG1-N 3.28Å; T261-G265 PolarHBondContact O-N 2.8Å |
| 262 | P | 95.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -50.3 | -36.9 | 171 | -29.3 | 36.3 | 0 | 0 | 0 | 113.3 | V56 D240 G265 A266 | V56-P262 HydrophobicContact CG2-CB 3.78Å; D240-P262 WeakPolarHBondContact O-CG 3.3Å; P262-G265 PolarHBondContact O-N 2.65Å; P262-A266 WeakPolarHBondContact O-CB 3.43Å; P262-A266 PolarHBondContact O-N 3.2Å |
| 263 | E | 97.3 | Very high | 96.6 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -48 | 178.4 | -58.3 | 69.9 | -151.8 | 0 | 0 | 112.1 | V56 T261 G265 A266 D267 | V56-E263 HydrophobicContact CG1-CB 4.39Å; V56-E263 HydrophobicContact CG1-CG 4.1Å; V56-E263 HydrophobicContact CG2-CG 4.28Å; T261-E263 WeakPolarHBondContact CB-OE2 3.3Å; T261-E263 PolarHBondContact O-N 2.92Å; T261-E263 PolarHBondContact OG1-N 3.46Å; T261-E263 PolarHBondContact OG1-OE2 3.31Å; E263-G265 PolarHBondContact O-N 3.07Å; E263-A266 PolarHBondContact O-N 2.88Å; E263-A266 VanDerWaalsContact O-N 3.17Å; E263-D267 PolarHBondContact O-N 2.82Å |
| 264 | Q | 97.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -31.2 | 175 | -63.6 | -179.8 | -33 | 0 | 0 | 112.1 | Y22 R260 T261 | Y22-Q264 HydrophobicContact CD1-CB 3.85Å; Y22-Q264 HydrophobicContact CD1-CG 3.5Å; Y22-Q264 VanDerWaalsContact CD1-CG 3.5Å; Y22-Q264 HydrophobicContact CD2-CB 4.17Å; Y22-Q264 HydrophobicContact CE1-CB 4.02Å; Y22-Q264 HydrophobicContact CE1-CG 3.55Å; Y22-Q264 HydrophobicContact CE2-CB 4.32Å; Y22-Q264 HydrophobicContact CG-CB 3.92Å; Y22-Q264 HydrophobicContact CG-CG 4.09Å; R260-Q264 VanDerWaalsContact CA-OE1 3.29Å; R260-Q264 HydrophobicContact CB-CB 3.9Å; R260-Q264 HydrophobicContact CG-CB 4.3Å; T261-Q264 VanDerWaalsContact N-OE1 3.08Å; T261-Q264 PolarHBondContact O-N 3.35Å; T261-Q264 PolarHBondContact OG1-N 3.28Å |
| 265 | G | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.4 | -34.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P236 T261 P262 E263 | P236-G265 WeakPolarHBondContact CB-O 3.25Å; P236-G265 WeakPolarHBondContact O-CA 3.49Å; T261-G265 PolarHBondContact O-N 2.8Å; P262-G265 PolarHBondContact O-N 2.65Å; E263-G265 PolarHBondContact O-N 3.07Å |
| 266 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -80.6 | -22.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I53 V56 P262 E263 A268 A269 I270 | I53-A266 HydrophobicContact CG2-CB 3.98Å; V56-A266 HydrophobicContact CB-CB 3.84Å; V56-A266 HydrophobicContact CG1-CB 3.8Å; P262-A266 WeakPolarHBondContact O-CB 3.43Å; P262-A266 PolarHBondContact O-N 3.2Å; E263-A266 PolarHBondContact O-N 2.88Å; E263-A266 VanDerWaalsContact O-N 3.17Å; A266-A268 PolarHBondContact O-N 3.15Å; A266-A269 WeakPolarHBondContact O-CB 3.27Å; A266-A269 PolarHBondContact O-N 3.16Å; A266-I270 HydrophobicContact CB-CD1 3.61Å; A266-I270 HydrophobicContact CB-CG1 4.36Å; A266-I270 PolarHBondContact O-N 2.88Å |
| 267 | D | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -44.4 | -54.8 | -172.4 | 178.4 | 77.3 | 0 | 0 | 0 | 114 | Y22 F29 E263 A269 I270 W271 R290 | Y22-D267 HydrophobicContact CE2-CB 3.71Å; Y22-D267 VanDerWaalsContact OH-CG 3.25Å; Y22-D267 PolarHBondContact OH-OD1 3.46Å; F29-D267 WeakPolarHBondContact CE2-OD2 3.36Å; E263-D267 PolarHBondContact O-N 2.82Å; D267-A269 VanDerWaalsContact C-N 3.31Å; D267-A269 PolarHBondContact O-N 2.9Å; D267-I270 PolarHBondContact O-N 2.97Å; D267-W271 VanDerWaalsContact O-CB 3.32Å; D267-W271 WeakPolarHBondContact O-CB 3.33Å; D267-W271 PolarHBondContact O-N 3.35Å; D267-R290 IonicContact OD1-CZ 3.49Å; D267-R290 IonicContact OD1-NE 3.68Å; D267-R290 PolarHBondContact OD1-NE 3.07Å; D267-R290 IonicContact OD1-NH2 2.68Å; D267-R290 PolarHBondContact OD1-NH2 2.84Å; D267-R290 WeakPolarHBondContact OD2-CG 3.44Å; D267-R290 IonicContact OD2-CZ 3.61Å; D267-R290 IonicContact OD2-NE 3.82Å; D267-R290 PolarHBondContact OD2-NE 3.23Å; D267-R290 IonicContact OD2-NH2 2.84Å |
| 268 | A | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -28.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M234 A266 L272 | M234-A268 HydrophobicContact CE-CB 3.65Å; A266-A268 PolarHBondContact O-N 3.15Å; A268-L272 WeakPolarHBondContact O-CB 3.23Å; A268-L272 WeakPolarHBondContact O-CD1 3.49Å; A268-L272 WeakPolarHBondContact O-CG 3.28Å; A268-L272 PolarHBondContact O-N 3.41Å |
| 269 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.9 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I176 M234 A266 D267 L272 A273 | I176-A269 HydrophobicContact CG2-CB 4.24Å; M234-A269 HydrophobicContact CE-CB 3.94Å; M234-A269 HydrophobicContact CG-CB 4.4Å; M234-A269 HydrophobicContact SD-CB 4.36Å; A266-A269 WeakPolarHBondContact O-CB 3.27Å; A266-A269 PolarHBondContact O-N 3.16Å; D267-A269 VanDerWaalsContact C-N 3.31Å; D267-A269 PolarHBondContact O-N 2.9Å; A269-L272 PolarHBondContact O-N 3.36Å; A269-A273 WeakPolarHBondContact O-CB 3.33Å; A269-A273 PolarHBondContact O-N 3.23Å |
| 270 | I | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 174.2 | -67.7 | 159.8 | 0 | 0 | 0 | 110.2 | V56 C57 E60 L61 A266 D267 L272 A273 L274 | V56-I270 HydrophobicContact CG1-CD1 4.02Å; C57-I270 HydrophobicContact CB-CG1 4.36Å; E60-I270 HydrophobicContact CB-CD1 3.81Å; E60-I270 HydrophobicContact CB-CG1 4.23Å; E60-I270 HydrophobicContact CB-CG2 4.09Å; E60-I270 HydrophobicContact CG-CD1 3.8Å; L61-I270 HydrophobicContact CD2-CG2 4.4Å; A266-I270 HydrophobicContact CB-CD1 3.61Å; A266-I270 HydrophobicContact CB-CG1 4.36Å; A266-I270 PolarHBondContact O-N 2.88Å; D267-I270 PolarHBondContact O-N 2.97Å; I270-L272 PolarHBondContact O-N 3.18Å; I270-A273 WeakPolarHBondContact O-CB 3.36Å; I270-A273 PolarHBondContact O-N 2.84Å; I270-A273 VanDerWaalsContact O-N 3.15Å; I270-L274 HydrophobicContact CG2-CD1 3.57Å; I270-L274 HydrophobicContact CG2-CG 4.41Å; I270-L274 WeakPolarHBondContact O-CB 3.43Å; I270-L274 WeakPolarHBondContact O-CG 3.41Å; I270-L274 PolarHBondContact O-N 2.83Å |
| 271 | W | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.4 | 170.8 | 80.5 | 0 | 0 | 0 | 112.3 | E33 L34 D267 A273 L274 V275 F281 F287 R290 | E33-W271 PolarHBondContact OE2-NE1 3.36Å; L34-W271 HydrophobicContact CD1-CB 4.48Å; D267-W271 VanDerWaalsContact O-CB 3.32Å; D267-W271 WeakPolarHBondContact O-CB 3.33Å; D267-W271 PolarHBondContact O-N 3.35Å; W271-A273 VanDerWaalsContact C-N 3.25Å; W271-A273 PolarHBondContact O-N 3.3Å; W271-L274 PolarHBondContact O-N 3.45Å; W271-L274 VanDerWaalsContact O-N 3.14Å; W271-V275 WeakPolarHBondContact O-CB 3.08Å; W271-V275 PolarHBondContact O-N 2.79Å; W271-F281 HydrophobicContact CH2-CD2 4.45Å; W271-F281 HydrophobicContact CH2-CE1 4.4Å; W271-F281 AromaticContact CH2-CE2 3.45Å; W271-F281 HydrophobicContact CH2-CE2 3.45Å; W271-F281 VanDerWaalsContact CH2-CE2 3.45Å; W271-F281 AromaticContact CH2-CZ 3.42Å; W271-F281 HydrophobicContact CH2-CZ 3.42Å; W271-F281 VanDerWaalsContact CH2-CZ 3.42Å; W271-F281 AromaticContact CZ2-CE2 3.84Å; W271-F281 HydrophobicContact CZ2-CE2 3.84Å; W271-F281 AromaticContact CZ2-CZ 3.73Å; W271-F281 HydrophobicContact CZ2-CZ 3.73Å; W271-F281 HydrophobicContact CZ3-CE2 4.42Å; W271-F287 HydrophobicContact CH2-CD1 4.21Å; W271-F287 HydrophobicContact CH2-CE1 4.01Å; W271-F287 AromaticContact CZ3-CD1 3.74Å; W271-F287 HydrophobicContact CZ3-CD1 3.74Å; W271-F287 AromaticContact CZ3-CE1 3.88Å; W271-F287 HydrophobicContact CZ3-CE1 3.88Å; W271-R290 HydrophobicContact CB-CG 3.97Å; W271-R290 HydrophobicContact CD2-CB 3.75Å; W271-R290 HydrophobicContact CD2-CG 3.65Å; W271-R290 HydrophobicContact CE3-CB 3.82Å; W271-R290 HydrophobicContact CE3-CG 3.91Å; W271-R290 HydrophobicContact CG-CB 4.26Å; W271-R290 HydrophobicContact CG-CG 3.67Å; W271-R290 HydrophobicContact CH2-CB 4.18Å; W271-R290 WeakPolarHBondContact CH2-O 3.44Å; W271-R290 HydrophobicContact CZ2-CB 4.08Å; W271-R290 HydrophobicContact CZ3-CB 4.07Å |
| 272 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -32.7 | 174.9 | -77.5 | 164.5 | 0 | 0 | 0 | 112.3 | R174 I176 M234 A268 A269 I270 V278 F287 | R174-L272 VanDerWaalsContact CD-O 3.28Å; R174-L272 WeakPolarHBondContact CD-O 3.36Å; R174-L272 PolarHBondContact NH1-O 3.31Å; I176-L272 HydrophobicContact CG1-CB 3.84Å; I176-L272 HydrophobicContact CG2-CD1 4.06Å; M234-L272 HydrophobicContact CB-CD1 4.04Å; M234-L272 HydrophobicContact CG-CD1 4.31Å; A268-L272 WeakPolarHBondContact O-CB 3.23Å; A268-L272 WeakPolarHBondContact O-CD1 3.49Å; A268-L272 WeakPolarHBondContact O-CG 3.28Å; A268-L272 PolarHBondContact O-N 3.41Å; A269-L272 PolarHBondContact O-N 3.36Å; I270-L272 PolarHBondContact O-N 3.18Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; L272-F287 HydrophobicContact CD1-CB 4.11Å; L272-F287 HydrophobicContact CD1-CD2 4.08Å; L272-F287 HydrophobicContact CD1-CG 4.08Å; L272-F287 HydrophobicContact CD2-CD1 4.13Å; L272-F287 HydrophobicContact CD2-CD2 4.02Å; L272-F287 HydrophobicContact CD2-CE1 4.01Å; L272-F287 HydrophobicContact CD2-CE2 3.91Å; L272-F287 HydrophobicContact CD2-CG 4.13Å; L272-F287 HydrophobicContact CD2-CZ 3.89Å |
| 273 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -33.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L61 I126 I128 R174 I176 A269 I270 W271 | L61-A273 HydrophobicContact CD1-CB 4.03Å; L61-A273 HydrophobicContact CD2-CB 3.69Å; I126-A273 HydrophobicContact CD1-CB 4Å; I126-A273 VanDerWaalsContact CD1-O 3.27Å; I126-A273 WeakPolarHBondContact CD1-O 3.46Å; I126-A273 HydrophobicContact CG2-CB 4.16Å; I128-A273 HydrophobicContact CD1-CB 4.41Å; R174-A273 PolarHBondContact NH1-O 2.82Å; I176-A273 HydrophobicContact CD1-CB 4.42Å; A269-A273 WeakPolarHBondContact O-CB 3.33Å; A269-A273 PolarHBondContact O-N 3.23Å; I270-A273 WeakPolarHBondContact O-CB 3.36Å; I270-A273 PolarHBondContact O-N 2.84Å; I270-A273 VanDerWaalsContact O-N 3.15Å; W271-A273 VanDerWaalsContact C-N 3.25Å; W271-A273 PolarHBondContact O-N 3.3Å |
| 274 | L | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -95.5 | -27.3 | -173.9 | -69.5 | 170.6 | 0 | 0 | 0 | 114.8 | L34 V37 L39 L61 H64 I270 W271 P276 | L34-L274 HydrophobicContact CD1-CB 4.31Å; L34-L274 HydrophobicContact CD1-CD1 4.04Å; L34-L274 HydrophobicContact CD2-CB 3.86Å; V37-L274 HydrophobicContact CG1-CB 4.25Å; V37-L274 HydrophobicContact CG1-CD2 4.06Å; V37-L274 VanDerWaalsContact CG1-O 3.28Å; V37-L274 WeakPolarHBondContact CG1-O 3.39Å; L39-L274 HydrophobicContact CD1-CD2 3.55Å; L39-L274 HydrophobicContact CD2-CD2 4.31Å; L39-L274 HydrophobicContact CG-CD2 3.71Å; L61-L274 HydrophobicContact CD2-CD1 4.29Å; L61-L274 HydrophobicContact CD2-CD2 3.96Å; L61-L274 HydrophobicContact CD2-CG 3.81Å; H64-L274 HydrophobicContact CB-CD2 3.8Å; I270-L274 HydrophobicContact CG2-CD1 3.57Å; I270-L274 HydrophobicContact CG2-CG 4.41Å; I270-L274 WeakPolarHBondContact O-CB 3.43Å; I270-L274 WeakPolarHBondContact O-CG 3.41Å; I270-L274 PolarHBondContact O-N 2.83Å; W271-L274 PolarHBondContact O-N 3.45Å; W271-L274 VanDerWaalsContact O-N 3.14Å; L274-P276 WeakPolarHBondContact O-CD 3.17Å |
| 275 | V | 96.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -57 | 124 | -171.4 | 66.6 | 0 | 0 | 0 | 0 | 111 | R174 W271 N277 V278 | R174-V275 PolarHBondContact NH1-O 3.35Å; R174-V275 PolarHBondContact NH2-O 2.96Å; R174-V275 VanDerWaalsContact NH2-O 3.14Å; W271-V275 WeakPolarHBondContact O-CB 3.08Å; W271-V275 PolarHBondContact O-N 2.79Å; V275-N277 PolarHBondContact O-N 3.15Å; V275-V278 HydrophobicContact CG1-CB 3.69Å; V275-V278 HydrophobicContact CG1-CG2 3.69Å | ||
| 276 | P | 92.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 35 Ų | 35 | 57% | 0.565 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -37.8 | -171.3 | -29.2 | 36 | 0 | 0 | 0 | 114.5 | V37 L274 | V37-P276 HydrophobicContact CG2-CG 3.87Å; L274-P276 WeakPolarHBondContact O-CD 3.17Å |
| 277 | N | 92.5 | Very high | 97.3 | Very high | 97 Ų | 97 | 35 Ų | 35 | 52% | 0.519 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 70.2 | 179.1 | -175.9 | 8.9 | 0 | 0 | 0 | 110.7 | V275 R279 R280 | V275-N277 PolarHBondContact O-N 3.15Å; N277-R279 PolarHBondContact O-N 2.92Å; N277-R280 WeakPolarHBondContact O-CB 3.23Å; N277-R280 WeakPolarHBondContact O-CD 3.23Å; N277-R280 WeakPolarHBondContact O-CG 3.31Å; N277-R280 PolarHBondContact O-N 3.29Å; N277-R280 PolarHBondContact OD1-N 2.98Å |
| 278 | V | 96 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -63.7 | -28.6 | 179.6 | 77 | 0 | 0 | 0 | 0 | 112.4 | F230 L272 V275 R280 F281 | F230-V278 HydrophobicContact CB-CG1 4Å; F230-V278 HydrophobicContact CD1-CB 4.32Å; F230-V278 HydrophobicContact CD1-CG1 3.8Å; F230-V278 HydrophobicContact CD1-CG2 3.55Å; F230-V278 HydrophobicContact CD2-CG1 4.2Å; F230-V278 HydrophobicContact CE1-CB 4.39Å; F230-V278 HydrophobicContact CE1-CG1 4.34Å; F230-V278 HydrophobicContact CE1-CG2 3.27Å; F230-V278 HydrophobicContact CE2-CG2 4.34Å; F230-V278 HydrophobicContact CG-CG1 3.72Å; F230-V278 HydrophobicContact CG-CG2 4.21Å; F230-V278 HydrophobicContact CZ-CG2 3.71Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; V275-V278 HydrophobicContact CG1-CB 3.69Å; V275-V278 HydrophobicContact CG1-CG2 3.69Å; V278-R280 PolarHBondContact O-N 2.92Å; V278-R280 VanDerWaalsContact O-N 3.12Å; V278-F281 WeakPolarHBondContact O-CD2 3.38Å; V278-F281 PolarHBondContact O-N 2.96Å; V278-F281 VanDerWaalsContact O-N 3.07Å |
| 279 | R | 96 | Very high | 97.2 | Very high | 116 Ų | 116 | 35 Ų | 35 | 44% | 0.438 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -67.9 | -6.5 | 178.2 | -71.1 | -175.5 | 168.6 | -85.9 | -3.6 | 114.2 | P227 E228 N277 F281 | P227-R279 PolarHBondContact O-NH1 3.48Å; P227-R279 PolarHBondContact O-NH2 2.77Å; P227-R279 VanDerWaalsContact O-NH2 3.1Å; E228-R279 PolarHBondContact O-NH2 3.31Å; N277-R279 PolarHBondContact O-N 2.92Å; R279-F281 PolarHBondContact O-N 3.06Å |
| 280 | R | 96.5 | Very high | 97.1 | Very high | 131 Ų | 131 | 37 Ų | 37 | 49% | 0.494 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -62 | -19.2 | 166.3 | 80.4 | -172.1 | -179.7 | -176.5 | -8.5 | 112.6 | E33 N277 V278 | E33-R280 IonicContact OE1-CZ 3.45Å; E33-R280 IonicContact OE1-NH1 3.32Å; E33-R280 PolarHBondContact OE1-NH1 3.3Å; E33-R280 IonicContact OE1-NH2 2.68Å; E33-R280 PolarHBondContact OE1-NH2 3.4Å; N277-R280 WeakPolarHBondContact O-CB 3.23Å; N277-R280 WeakPolarHBondContact O-CD 3.23Å; N277-R280 WeakPolarHBondContact O-CG 3.31Å; N277-R280 PolarHBondContact O-N 3.29Å; N277-R280 PolarHBondContact OD1-N 2.98Å; V278-R280 PolarHBondContact O-N 2.92Å; V278-R280 VanDerWaalsContact O-N 3.12Å |
| 281 | F | 97.7 | Very high | 97 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -97.3 | 152.2 | 174.6 | -56.1 | -68 | 0 | 0 | 0 | 111.1 | F230 W271 V278 R279 N283 F287 V292 | F230-F281 HydrophobicContact CE2-CB 4.41Å; F230-F281 HydrophobicContact CZ-CB 4.25Å; W271-F281 HydrophobicContact CH2-CD2 4.45Å; W271-F281 HydrophobicContact CH2-CE1 4.4Å; W271-F281 AromaticContact CH2-CE2 3.45Å; W271-F281 HydrophobicContact CH2-CE2 3.45Å; W271-F281 VanDerWaalsContact CH2-CE2 3.45Å; W271-F281 AromaticContact CH2-CZ 3.42Å; W271-F281 HydrophobicContact CH2-CZ 3.42Å; W271-F281 VanDerWaalsContact CH2-CZ 3.42Å; W271-F281 AromaticContact CZ2-CE2 3.84Å; W271-F281 HydrophobicContact CZ2-CE2 3.84Å; W271-F281 AromaticContact CZ2-CZ 3.73Å; W271-F281 HydrophobicContact CZ2-CZ 3.73Å; W271-F281 HydrophobicContact CZ3-CE2 4.42Å; V278-F281 WeakPolarHBondContact O-CD2 3.38Å; V278-F281 PolarHBondContact O-N 2.96Å; V278-F281 VanDerWaalsContact O-N 3.07Å; R279-F281 PolarHBondContact O-N 3.06Å; F281-N283 PolarHBondContact O-N 2.97Å; F281-F287 HydrophobicContact CB-CE1 4.45Å; F281-F287 HydrophobicContact CB-CZ 3.79Å; F281-F287 HydrophobicContact CD1-CE1 4.09Å; F281-F287 HydrophobicContact CD1-CZ 4.27Å; F281-F287 HydrophobicContact CD2-CE1 4.06Å; F281-F287 AromaticContact CD2-CZ 3.97Å; F281-F287 HydrophobicContact CD2-CZ 3.97Å; F281-F287 HydrophobicContact CE1-CE1 4.34Å; F281-F287 HydrophobicContact CE2-CE1 4.31Å; F281-F287 AromaticContact CG-CE1 3.94Å; F281-F287 HydrophobicContact CG-CE1 3.94Å; F281-F287 AromaticContact CG-CZ 3.76Å; F281-F287 HydrophobicContact CG-CZ 3.76Å; F281-F287 HydrophobicContact CZ-CE1 4.44Å; F281-V292 HydrophobicContact CD1-CG2 3.94Å |
| 282 | Q | 97.8 | Very high | 97 | Very high | 159 Ų | 159 | 44.9 Ų | 44.9 | 74% | 0.743 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -62.8 | 131 | 174.6 | -178.1 | 177.6 | 4.2 | 0 | 0 | 110.8 | S285 | Q282-S285 WeakPolarHBondContact O-CB 3.43Å; Q282-S285 PolarHBondContact O-N 3.4Å; Q282-S285 PolarHBondContact O-OG 3.03Å |
| 283 | N | 98.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 137.2 | 176.5 | -158.9 | -2.3 | 0 | 0 | 0 | 110.7 | S223 I229 F230 F231 F281 | S223-N283 VanDerWaalsContact CB-CG 3.48Å; S223-N283 VanDerWaalsContact CB-OD1 3.31Å; S223-N283 WeakPolarHBondContact CB-OD1 3.45Å; I229-N283 PolarHBondContact O-ND2 3.45Å; F230-N283 HydrophobicContact CD2-CB 4.43Å; F231-N283 PolarHBondContact N-OD1 3.17Å; F231-N283 PolarHBondContact O-OD1 3.41Å; F231-N283 VanDerWaalsContact O-OD1 3.04Å; F281-N283 PolarHBondContact O-N 2.97Å |
| 284 | G | 98.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 6.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S223 F231 | S223-G284 WeakPolarHBondContact OG-CA 3.19Å; F231-G284 WeakPolarHBondContact O-CA 3.39Å; F231-G284 PolarHBondContact O-N 3.06Å |
| 285 | S | 98.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -65.9 | 156.1 | 179.6 | -71 | 0 | 0 | 0 | 0 | 113.5 | C232 S233 Q282 | C232-S285 WeakPolarHBondContact CA-O 3.37Å; S233-S285 PolarHBondContact N-O 3.34Å; Q282-S285 WeakPolarHBondContact O-CB 3.43Å; Q282-S285 PolarHBondContact O-N 3.4Å; Q282-S285 PolarHBondContact O-OG 3.03Å | ||
| 286 | F | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.7 | 174 | -176.9 | -112.2 | 0 | 0 | 0 | 110.8 | M183 L184 V216 S233 H235 V292 V293 Q295 | M183-F286 HydrophobicContact CE-CD1 3.97Å; M183-F286 HydrophobicContact CE-CD2 3.99Å; M183-F286 HydrophobicContact CE-CE1 3.5Å; M183-F286 HydrophobicContact CE-CE2 3.51Å; M183-F286 HydrophobicContact CE-CG 4.21Å; M183-F286 HydrophobicContact CE-CZ 3.23Å; L184-F286 HydrophobicContact CD2-CE1 4.33Å; V216-F286 HydrophobicContact CG2-CD2 4.23Å; V216-F286 HydrophobicContact CG2-CE2 4.21Å; S233-F286 CarbonylContact O-C 3.59Å; S233-F286 VanDerWaalsContact O-CA 3.26Å; S233-F286 WeakPolarHBondContact O-CA 3.5Å; S233-F286 WeakPolarHBondContact OG-CD2 3.41Å; H235-F286 HydrophobicContact CB-CE1 4.39Å; H235-F286 HydrophobicContact CB-CE2 4.24Å; H235-F286 HydrophobicContact CB-CZ 3.57Å; F286-V292 WeakPolarHBondContact O-CA 3.37Å; F286-V293 HydrophobicContact CD1-CG2 3.64Å; F286-V293 HydrophobicContact CE1-CG2 3.94Å; F286-V293 PolarHBondContact O-N 2.76Å; F286-Q295 HydrophobicContact CB-CG 3.34Å; F286-Q295 HydrophobicContact CD1-CG 4.12Å; F286-Q295 HydrophobicContact CG-CG 3.83Å |
| 287 | F | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.8 | -171.6 | -67.5 | -99.7 | 0 | 0 | 0 | 113.3 | F230 C232 S233 M234 H235 W271 L272 F281 Q291 V292 | F230-F287 HydrophobicContact CZ-CE2 4.46Å; C232-F287 HydrophobicContact CB-CD2 3.93Å; C232-F287 HydrophobicContact CB-CE2 3.66Å; S233-F287 PolarHBondContact O-N 3.15Å; M234-F287 CarbonylContact C-O 3.57Å; M234-F287 WeakPolarHBondContact CA-O 3.28Å; M234-F287 HydrophobicContact CB-CB 4.06Å; H235-F287 PolarHBondContact N-O 3.17Å; W271-F287 HydrophobicContact CH2-CD1 4.21Å; W271-F287 HydrophobicContact CH2-CE1 4.01Å; W271-F287 AromaticContact CZ3-CD1 3.74Å; W271-F287 HydrophobicContact CZ3-CD1 3.74Å; W271-F287 AromaticContact CZ3-CE1 3.88Å; W271-F287 HydrophobicContact CZ3-CE1 3.88Å; L272-F287 HydrophobicContact CD1-CB 4.11Å; L272-F287 HydrophobicContact CD1-CD2 4.08Å; L272-F287 HydrophobicContact CD1-CG 4.08Å; L272-F287 HydrophobicContact CD2-CD1 4.13Å; L272-F287 HydrophobicContact CD2-CD2 4.02Å; L272-F287 HydrophobicContact CD2-CE1 4.01Å; L272-F287 HydrophobicContact CD2-CE2 3.91Å; L272-F287 HydrophobicContact CD2-CG 4.13Å; L272-F287 HydrophobicContact CD2-CZ 3.89Å; F281-F287 HydrophobicContact CB-CE1 4.45Å; F281-F287 HydrophobicContact CB-CZ 3.79Å; F281-F287 HydrophobicContact CD1-CE1 4.09Å; F281-F287 HydrophobicContact CD1-CZ 4.27Å; F281-F287 HydrophobicContact CD2-CE1 4.06Å; F281-F287 AromaticContact CD2-CZ 3.97Å; F281-F287 HydrophobicContact CD2-CZ 3.97Å; F281-F287 HydrophobicContact CE1-CE1 4.34Å; F281-F287 HydrophobicContact CE2-CE1 4.31Å; F281-F287 AromaticContact CG-CE1 3.94Å; F281-F287 HydrophobicContact CG-CE1 3.94Å; F281-F287 AromaticContact CG-CZ 3.76Å; F281-F287 HydrophobicContact CG-CZ 3.76Å; F281-F287 HydrophobicContact CZ-CE1 4.44Å; F287-Q291 CarbonylContact C-O 3.59Å; F287-Q291 WeakPolarHBondContact CA-O 3.41Å; F287-V292 HydrophobicContact CD1-CG2 4.05Å; F287-V292 HydrophobicContact CE1-CG2 3.46Å; F287-V292 VanDerWaalsContact CE1-CG2 3.46Å; F287-V292 HydrophobicContact CE2-CG2 4.42Å; F287-V292 HydrophobicContact CZ-CG2 3.69Å |
| 288 | Q | 97.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 133.9 | 166.7 | -176.7 | -164.7 | -52.6 | 0 | 0 | 107.2 | E16 R290 Q291 V293 | E16-Q288 PolarHBondContact OE2-NE2 2.76Å; E16-Q288 VanDerWaalsContact OE2-NE2 3.17Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 2.91Å; Q288-Q291 PolarHBondContact N-O 3.48Å; Q288-Q291 PolarHBondContact O-N 3.23Å; Q288-V293 HydrophobicContact CB-CG1 4.03Å; Q288-V293 HydrophobicContact CB-CG2 3.72Å |
| 289 | D | 97 | Very high | 94.7 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 50.1 | 175.4 | -53.2 | -36.8 | 0 | 0 | 0 | 112.8 | A25 F29 R260 Q291 | A25-D289 HydrophobicContact CB-CB 3.61Å; F29-D289 VanDerWaalsContact CE1-O 3.25Å; F29-D289 WeakPolarHBondContact CE1-O 3.43Å; F29-D289 HydrophobicContact CZ-CB 4.16Å; F29-D289 WeakPolarHBondContact CZ-O 3.28Å; R260-D289 IonicContact CZ-OD1 2.76Å; R260-D289 IonicContact CZ-OD2 3.3Å; R260-D289 IonicContact NH1-OD1 2.91Å; R260-D289 PolarHBondContact NH1-OD1 3.42Å; R260-D289 VanDerWaalsContact NH2-CG 3.27Å; R260-D289 IonicContact NH2-OD1 2.67Å; R260-D289 PolarHBondContact NH2-OD1 3.02Å; R260-D289 IonicContact NH2-OD2 3.75Å; R260-D289 PolarHBondContact NH2-OD2 3.08Å; D289-Q291 PolarHBondContact O-N 3.23Å; D289-Q291 VanDerWaalsContact O-N 3.17Å |
| 290 | R | 96.7 | Very high | 94.2 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 20.7 | -179.6 | -51.9 | -175.3 | -178.1 | -163.4 | 3.2 | 115.7 | F29 D267 W271 Q288 | F29-R290 HydrophobicContact CD2-CG 4.41Å; F29-R290 HydrophobicContact CE1-CB 4.07Å; F29-R290 HydrophobicContact CE1-CG 4.18Å; F29-R290 HydrophobicContact CE2-CG 3.97Å; F29-R290 HydrophobicContact CZ-CB 4.19Å; F29-R290 HydrophobicContact CZ-CG 3.86Å; D267-R290 IonicContact OD1-CZ 3.49Å; D267-R290 IonicContact OD1-NE 3.68Å; D267-R290 PolarHBondContact OD1-NE 3.07Å; D267-R290 IonicContact OD1-NH2 2.68Å; D267-R290 PolarHBondContact OD1-NH2 2.84Å; D267-R290 WeakPolarHBondContact OD2-CG 3.44Å; D267-R290 IonicContact OD2-CZ 3.61Å; D267-R290 IonicContact OD2-NE 3.82Å; D267-R290 PolarHBondContact OD2-NE 3.23Å; D267-R290 IonicContact OD2-NH2 2.84Å; W271-R290 HydrophobicContact CB-CG 3.97Å; W271-R290 HydrophobicContact CD2-CB 3.75Å; W271-R290 HydrophobicContact CD2-CG 3.65Å; W271-R290 HydrophobicContact CE3-CB 3.82Å; W271-R290 HydrophobicContact CE3-CG 3.91Å; W271-R290 HydrophobicContact CG-CB 4.26Å; W271-R290 HydrophobicContact CG-CG 3.67Å; W271-R290 HydrophobicContact CH2-CB 4.18Å; W271-R290 WeakPolarHBondContact CH2-O 3.44Å; W271-R290 HydrophobicContact CZ2-CB 4.08Å; W271-R290 HydrophobicContact CZ3-CB 4.07Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; Q288-R290 PolarHBondContact O-N 2.91Å |
| 291 | Q | 96.6 | Very high | 93.7 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.6 | 177.4 | -62.8 | -170.2 | -9.6 | 0 | 0 | 111.8 | F287 Q288 D289 V293 | F287-Q291 CarbonylContact C-O 3.59Å; F287-Q291 WeakPolarHBondContact CA-O 3.41Å; Q288-Q291 PolarHBondContact N-O 3.48Å; Q288-Q291 PolarHBondContact O-N 3.23Å; D289-Q291 PolarHBondContact O-N 3.23Å; D289-Q291 VanDerWaalsContact O-N 3.17Å; Q291-V293 PolarHBondContact O-N 3.41Å |
| 292 | V | 97.5 | Very high | 93.4 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.1 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | F281 F286 F287 | F281-V292 HydrophobicContact CD1-CG2 3.94Å; F286-V292 WeakPolarHBondContact O-CA 3.37Å; F287-V292 HydrophobicContact CD1-CG2 4.05Å; F287-V292 HydrophobicContact CE1-CG2 3.46Å; F287-V292 VanDerWaalsContact CE1-CG2 3.46Å; F287-V292 HydrophobicContact CE2-CG2 4.42Å; F287-V292 HydrophobicContact CZ-CG2 3.69Å |
| 293 | V | 96.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | trans | -132.7 | 160.6 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | F286 Q288 Q291 Q295 | F286-V293 HydrophobicContact CD1-CG2 3.64Å; F286-V293 HydrophobicContact CE1-CG2 3.94Å; F286-V293 PolarHBondContact O-N 2.76Å; Q288-V293 HydrophobicContact CB-CG1 4.03Å; Q288-V293 HydrophobicContact CB-CG2 3.72Å; Q291-V293 PolarHBondContact O-N 3.41Å; V293-Q295 PolarHBondContact O-N 3.1Å | ||
| 294 | N | 93.8 | Very high | 93 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | trans | -66.3 | 134.5 | 177.5 | -80.3 | -51.9 | 0 | 0 | 0 | 111.9 | H296 | N294-H296 PolarHBondContact O-N 3.08Š| ||
| 295 | Q | 92.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.7 | -1.4 | 174.7 | -60.1 | 173.7 | 23.2 | 0 | 0 | 113.7 | M183 L184 R213 V216 E220 F286 V293 | M183-Q295 HydrophobicContact CE-CB 4.32Å; L184-Q295 VanDerWaalsContact CD2-C 3.4Å; L184-Q295 VanDerWaalsContact CD2-O 3.27Å; L184-Q295 WeakPolarHBondContact CD2-O 3.4Å; R213-Q295 PolarHBondContact NH1-O 3.47Å; R213-Q295 PolarHBondContact NH2-O 3.19Å; V216-Q295 HydrophobicContact CG1-CB 4.47Å; V216-Q295 VanDerWaalsContact CG1-CD 3.43Å; V216-Q295 HydrophobicContact CG1-CG 3.98Å; E220-Q295 VanDerWaalsContact OE1-CD 3.31Å; E220-Q295 PolarHBondContact OE1-NE2 2.8Å; E220-Q295 PolarHBondContact OE1-OE1 3.46Å; F286-Q295 HydrophobicContact CB-CG 3.34Å; F286-Q295 HydrophobicContact CD1-CG 4.12Å; F286-Q295 HydrophobicContact CG-CG 3.83Å; V293-Q295 PolarHBondContact O-N 3.1Å |
| 296 | H | 91.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 61 Ų | 61 | 13% | 0.125 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -132.9 | 133.6 | -176.7 | -60.9 | -73.9 | 0 | 0 | 0 | 109.3 | R213 N294 T302 H303 | R213-H296 PolarHBondContact NH1-CE1 3.22Å; N294-H296 PolarHBondContact O-N 3.08Å; H296-T302 PolarHBondContact CE1-O 2.8Å; H296-T302 VanDerWaalsContact CE1-O 3.22Å; H296-T302 VanDerWaalsContact ND1-C 3.34Å; H296-T302 PolarHBondContact ND1-O 3.29Å; H296-T302 PolarHBondContact ND1-OG1 3.02Å; H296-H303 VanDerWaalsContact CB-CE1 3.48Å; H296-H303 WeakPolarHBondContact CB-CE1 3.34Å; H296-H303 AromaticContact CD2-CD2 3.13Å; H296-H303 PolarHBondContact CD2-CD2 2.9Å; H296-H303 AromaticContact CD2-CE1 3.95Å; H296-H303 AromaticContact CD2-CG 3.86Å; H296-H303 AromaticContact CD2-NE2 3.21Å; H296-H303 PolarHBondContact CD2-NE2 3.14Å; H296-H303 AromaticContact CG-CD2 3.59Å; H296-H303 AromaticContact CG-CE1 3.74Å; H296-H303 AromaticContact CG-CG 3.92Å; H296-H303 AromaticContact CG-NE2 3.46Å; H296-H303 AromaticContact NE2-CD2 3.57Å |
| 297 | L | 86.6 | Confident | 92.6 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | trans | -65.4 | 136.1 | 168.2 | -86.3 | 162.8 | 0 | 0 | 0 | 109.6 | W9 K12 L184 V185 L299 A300 | W9-L297 HydrophobicContact CB-CD1 3.72Å; W9-L297 HydrophobicContact CG-CD1 4.24Å; K12-L297 HydrophobicContact CB-CD2 4.48Å; K12-L297 HydrophobicContact CD-CD2 3.7Å; L184-L297 HydrophobicContact CB-CD1 3.95Å; L184-L297 HydrophobicContact CB-CG 3.96Å; V185-L297 HydrophobicContact CG1-CD1 3.54Å; L297-L299 PolarHBondContact O-N 3.28Å; L297-A300 HydrophobicContact CB-CB 3.61Å; L297-A300 VanDerWaalsContact O-CB 3.22Å; L297-A300 WeakPolarHBondContact O-CB 3.39Å; L297-A300 PolarHBondContact O-N 3.17Å | ||
| 298 | K | 82.9 | Confident | 92.5 | Very high | 180 Ų | 180 | 66.4 Ų | 66.4 | 78% | 0.783 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.3 | 173.5 | -71 | -171.4 | 177.9 | -175.2 | 0 | 109.2 | A300 | K298-A300 PolarHBondContact O-N 3.31Å; K298-A300 VanDerWaalsContact O-N 3.08Å |
| 299 | L | 81.8 | Confident | 92.6 | Very high | 148 Ų | 148 | 67.2 Ų | 67.2 | 78% | 0.775 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 13.5 | -179.9 | -50.6 | 175.3 | 0 | 0 | 0 | 115.1 | F4 L297 C301 | F4-L299 HydrophobicContact CE1-CB 4.31Å; L297-L299 PolarHBondContact O-N 3.28Å; L299-C301 VanDerWaalsContact C-N 3.32Å |
| 300 | A | 84.1 | Confident | 92.6 | Very high | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -82.4 | -8.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R5 L297 K298 T302 | R5-A300 HydrophobicContact CG-CB 4.25Å; R5-A300 PolarHBondContact NE-O 3.36Å; R5-A300 PolarHBondContact NH2-O 2.86Å; L297-A300 HydrophobicContact CB-CB 3.61Å; L297-A300 VanDerWaalsContact O-CB 3.22Å; L297-A300 WeakPolarHBondContact O-CB 3.39Å; L297-A300 PolarHBondContact O-N 3.17Å; K298-A300 PolarHBondContact O-N 3.31Å; K298-A300 VanDerWaalsContact O-N 3.08Å; A300-T302 HydrophobicContact CB-CG2 3.86Å; A300-T302 WeakPolarHBondContact O-CG2 3.24Å; A300-T302 PolarHBondContact O-N 3.16Å; A300-T302 VanDerWaalsContact O-N 3.16Å |
| 301 | C | 87.3 | Confident | 92.6 | Very high | 94 Ų | 94 | 76.4 Ų | 76.4 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | trans | 47.9 | 41.8 | -176.7 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | L299 | L299-C301 VanDerWaalsContact C-N 3.32Š| ||
| 302 | T | 91.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -98.7 | -2.4 | -179.7 | 53 | 0 | 0 | 0 | 0 | 113.5 | L184 V185 H296 A300 | L184-T302 PolarHBondContact O-OG1 3.47Å; V185-T302 WeakPolarHBondContact O-CG2 3.45Å; H296-T302 PolarHBondContact CE1-O 2.8Å; H296-T302 VanDerWaalsContact CE1-O 3.22Å; H296-T302 VanDerWaalsContact ND1-C 3.34Å; H296-T302 PolarHBondContact ND1-O 3.29Å; H296-T302 PolarHBondContact ND1-OG1 3.02Å; A300-T302 HydrophobicContact CB-CG2 3.86Å; A300-T302 WeakPolarHBondContact O-CG2 3.24Å; A300-T302 PolarHBondContact O-N 3.16Å; A300-T302 VanDerWaalsContact O-N 3.16Å | ||
| 303 | H | 92.9 | Very high | 92.7 | Very high | 121 Ų | 121 | 68.5 Ų | 68.5 | 56% | 0.56 | 34% | 0.335 | S | S | * | . | trans | -59 | 139 | 174.7 | -65.8 | 90.7 | 0 | 0 | 0 | 110.3 | K187 H296 | K187-H303 WeakPolarHBondContact CE-O 3.48Å; H296-H303 VanDerWaalsContact CB-CE1 3.48Å; H296-H303 WeakPolarHBondContact CB-CE1 3.34Å; H296-H303 AromaticContact CD2-CD2 3.13Å; H296-H303 PolarHBondContact CD2-CD2 2.9Å; H296-H303 AromaticContact CD2-CE1 3.95Å; H296-H303 AromaticContact CD2-CG 3.86Å; H296-H303 AromaticContact CD2-NE2 3.21Å; H296-H303 PolarHBondContact CD2-NE2 3.14Å; H296-H303 AromaticContact CG-CD2 3.59Å; H296-H303 AromaticContact CG-CE1 3.74Å; H296-H303 AromaticContact CG-CG 3.92Å; H296-H303 AromaticContact CG-NE2 3.46Å; H296-H303 AromaticContact NE2-CD2 3.57Å | ||
| 304 | S | 93.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 69.9 Ų | 69.9 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | -117.8 | 138.5 | 171.6 | -51.2 | 0 | 0 | 0 | 0 | 107.6 | L188 E308 | L188-S304 VanDerWaalsContact CB-OG 3.32Å; L188-S304 WeakPolarHBondContact CB-OG 3.22Å; L188-S304 PolarHBondContact N-OG 2.77Å; S304-E308 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 305 | K | 94.7 | Very high | 92.9 | Very high | 148 Ų | 148 | 65.8 Ų | 65.8 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | trans | -68.8 | 160.5 | 177.5 | -64.2 | 179 | -179.3 | -178.5 | 0 | 110.4 | D307 E308 K309 | K305-D307 VanDerWaalsContact C-N 3.27Å; K305-D307 WeakPolarHBondContact CB-OD1 3.49Å; K305-D307 PolarHBondContact O-N 3.06Å; K305-E308 HydrophobicContact CB-CG 4.27Å; K305-E308 PolarHBondContact N-OE2 3.03Å; K305-E308 WeakPolarHBondContact O-CB 3.44Å; K305-E308 PolarHBondContact O-N 3.07Å; K305-E308 VanDerWaalsContact O-N 3.09Å; K305-K309 PolarHBondContact O-N 2.96Å | ||
| 306 | D | 94.9 | Very high | 93.1 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | -177.9 | -64.8 | -20.1 | 0 | 0 | 0 | 113.1 | K309 R310 | D306-K309 PolarHBondContact O-N 2.87Å; D306-R310 WeakPolarHBondContact O-CB 3.06Å; D306-R310 WeakPolarHBondContact O-CG 3.36Å; D306-R310 PolarHBondContact O-N 2.79Å |
| 307 | D | 96.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 65 Ų | 65 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 172 | 65.5 | -38.8 | 0 | 0 | 0 | 111.9 | K305 R310 K311 | K305-D307 VanDerWaalsContact C-N 3.27Å; K305-D307 WeakPolarHBondContact CB-OD1 3.49Å; K305-D307 PolarHBondContact O-N 3.06Å; D307-R310 PolarHBondContact O-N 3.19Å; D307-K311 VanDerWaalsContact O-CB 3.29Å; D307-K311 WeakPolarHBondContact O-CB 3.46Å; D307-K311 PolarHBondContact O-N 2.93Å |
| 308 | E | 97.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 69 Ų | 69 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 173 | -64.1 | -180 | 124.7 | 0 | 0 | 111 | K187 H190 S304 K305 K311 F312 | K187-E308 WeakPolarHBondContact CE-OE1 3.39Å; K187-E308 WeakPolarHBondContact CE-OE2 3.4Å; K187-E308 IonicContact NZ-OE1 2.75Å; K187-E308 PolarHBondContact NZ-OE1 3.32Å; K187-E308 IonicContact NZ-OE2 3.69Å; K187-E308 PolarHBondContact NZ-OE2 3.37Å; H190-E308 HydrophobicContact CB-CB 4.37Å; H190-E308 WeakPolarHBondContact CB-O 3.4Å; H190-E308 IonicContact CE1-OE1 2.7Å; H190-E308 PolarHBondContact CE1-OE1 2.65Å; H190-E308 IonicContact ND1-OE1 3.1Å; S304-E308 WeakPolarHBondContact CA-OE2 3.36Å; K305-E308 HydrophobicContact CB-CG 4.27Å; K305-E308 PolarHBondContact N-OE2 3.03Å; K305-E308 WeakPolarHBondContact O-CB 3.44Å; K305-E308 PolarHBondContact O-N 3.07Å; K305-E308 VanDerWaalsContact O-N 3.09Å; E308-K311 PolarHBondContact O-N 2.89Å; E308-F312 PolarHBondContact O-N 3.31Å |
| 309 | K | 97.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.3 | -65.5 | -177.7 | -173.4 | -172.7 | 0 | 111.9 | L188 V217 E220 M221 K305 D306 K311 F312 M313 | L188-K309 HydrophobicContact CD2-CG 4.44Å; V217-K309 HydrophobicContact CG1-CB 3.79Å; V217-K309 HydrophobicContact CG1-CD 4.25Å; V217-K309 HydrophobicContact CG1-CG 3.82Å; V217-K309 HydrophobicContact CG2-CG 4.37Å; E220-K309 VanDerWaalsContact CD-NZ 3.26Å; E220-K309 IonicContact OE1-NZ 2.89Å; E220-K309 PolarHBondContact OE1-NZ 2.79Å; E220-K309 VanDerWaalsContact OE1-NZ 3.14Å; E220-K309 WeakPolarHBondContact OE2-CE 3.34Å; E220-K309 IonicContact OE2-NZ 3.59Å; E220-K309 PolarHBondContact OE2-NZ 2.87Å; M221-K309 HydrophobicContact SD-CB 4.25Å; K305-K309 PolarHBondContact O-N 2.96Å; D306-K309 PolarHBondContact O-N 2.87Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K309-K311 PolarHBondContact O-N 3.12Å; K309-F312 WeakPolarHBondContact O-CB 3.43Å; K309-F312 PolarHBondContact O-N 3.11Å; K309-M313 PolarHBondContact O-N 3.24Å |
| 310 | R | 97 | Very high | 95.2 | Very high | 133 Ų | 133 | 55.4 Ų | 55.4 | 50% | 0.502 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.5 | -78.5 | -174.2 | -70.8 | -93.9 | -0 | 112.1 | M221 D306 D307 F312 M313 S314 | M221-R310 HydrophobicContact CE-CG 3.74Å; D306-R310 WeakPolarHBondContact O-CB 3.06Å; D306-R310 WeakPolarHBondContact O-CG 3.36Å; D306-R310 PolarHBondContact O-N 2.79Å; D307-R310 PolarHBondContact O-N 3.19Å; R310-F312 VanDerWaalsContact C-N 3.34Å; R310-F312 PolarHBondContact O-N 2.7Å; R310-M313 PolarHBondContact O-N 3.26Å; R310-S314 PolarHBondContact O-N 2.93Å |
| 311 | K | 97.6 | Very high | 95.8 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.7 | -173 | 162.5 | -177.5 | 173.8 | 0 | 112.1 | D307 E308 K309 S314 N315 | D307-K311 VanDerWaalsContact O-CB 3.29Å; D307-K311 WeakPolarHBondContact O-CB 3.46Å; D307-K311 PolarHBondContact O-N 2.93Å; E308-K311 PolarHBondContact O-N 2.89Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K309-K311 PolarHBondContact O-N 3.12Å; K311-S314 PolarHBondContact O-N 3.46Å; K311-N315 VanDerWaalsContact O-CG 3.28Å; K311-N315 PolarHBondContact O-N 3.49Å; K311-N315 PolarHBondContact O-ND2 3.26Å |
| 312 | F | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 171.1 | 164.2 | -105.2 | 0 | 0 | 0 | 111.9 | T153 L188 H190 P193 Q214 V217 M218 E308 K309 R310 S314 N315 L316 | T153-F312 HydrophobicContact CG2-CZ 4.22Å; L188-F312 HydrophobicContact CD1-CD1 4.4Å; L188-F312 HydrophobicContact CD1-CD2 4.16Å; L188-F312 HydrophobicContact CD1-CG 4.09Å; L188-F312 HydrophobicContact CD2-CB 3.74Å; L188-F312 HydrophobicContact CD2-CD1 4.4Å; L188-F312 HydrophobicContact CD2-CG 4.07Å; L188-F312 HydrophobicContact CG-CB 4.43Å; L188-F312 HydrophobicContact CG-CG 4.48Å; H190-F312 HydrophobicContact CB-CB 3.8Å; P193-F312 HydrophobicContact CB-CD2 4.25Å; P193-F312 HydrophobicContact CB-CE2 4.01Å; P193-F312 HydrophobicContact CG-CD2 4.03Å; P193-F312 HydrophobicContact CG-CE2 4.26Å; Q214-F312 HydrophobicContact CB-CE1 4.25Å; Q214-F312 HydrophobicContact CB-CE2 3.97Å; Q214-F312 HydrophobicContact CB-CZ 3.52Å; Q214-F312 HydrophobicContact CG-CD2 4.33Å; Q214-F312 HydrophobicContact CG-CE2 3.5Å; Q214-F312 HydrophobicContact CG-CZ 3.62Å; V217-F312 HydrophobicContact CB-CD1 4.36Å; V217-F312 HydrophobicContact CB-CE1 4.45Å; V217-F312 HydrophobicContact CG1-CD1 3.75Å; V217-F312 HydrophobicContact CG1-CE1 4.23Å; M218-F312 HydrophobicContact CG-CE1 3.8Å; M218-F312 HydrophobicContact CG-CZ 4.2Å; E308-F312 PolarHBondContact O-N 3.31Å; K309-F312 WeakPolarHBondContact O-CB 3.43Å; K309-F312 PolarHBondContact O-N 3.11Å; R310-F312 VanDerWaalsContact C-N 3.34Å; R310-F312 PolarHBondContact O-N 2.7Å; F312-S314 VanDerWaalsContact C-N 3.33Å; F312-S314 PolarHBondContact O-N 3.05Å; F312-N315 PolarHBondContact O-N 2.83Å; F312-L316 HydrophobicContact CE1-CD2 4.23Å; F312-L316 HydrophobicContact CZ-CB 4.49Å; F312-L316 HydrophobicContact CZ-CD2 3.8Å; F312-L316 WeakPolarHBondContact O-CB 3.48Å; F312-L316 PolarHBondContact O-N 3.03Å |
| 313 | M | 97.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.8 | -67.6 | -57.7 | -67.9 | 0 | 0 | 112.3 | Y157 M218 M221 K309 R310 L316 A317 | Y157-M313 HydrophobicContact CD2-CE 4.34Å; Y157-M313 HydrophobicContact CE2-CE 3.78Å; M218-M313 HydrophobicContact CB-SD 4.44Å; M218-M313 HydrophobicContact CG-SD 3.98Å; M221-M313 HydrophobicContact CB-CE 4.02Å; M221-M313 HydrophobicContact CB-CG 3.8Å; M221-M313 HydrophobicContact CB-SD 3.96Å; M221-M313 HydrophobicContact CE-CG 4.18Å; M221-M313 HydrophobicContact CG-CG 3.53Å; M221-M313 HydrophobicContact CG-SD 4.08Å; M221-M313 HydrophobicContact SD-CG 4.49Å; K309-M313 PolarHBondContact O-N 3.24Å; R310-M313 PolarHBondContact O-N 3.26Å; M313-L316 PolarHBondContact O-N 3Å; M313-A317 WeakPolarHBondContact O-CB 3.34Å; M313-A317 PolarHBondContact O-N 3.21Å |
| 314 | S | 97.1 | Very high | 96.3 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 175 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | R310 K311 F312 L316 A317 D318 | R310-S314 PolarHBondContact O-N 2.93Å; K311-S314 PolarHBondContact O-N 3.46Å; F312-S314 VanDerWaalsContact C-N 3.33Å; F312-S314 PolarHBondContact O-N 3.05Å; S314-L316 VanDerWaalsContact C-N 3.28Å; S314-L316 PolarHBondContact O-N 3.25Å; S314-A317 WeakPolarHBondContact O-CB 3.34Å; S314-A317 PolarHBondContact O-N 3.11Å; S314-A317 VanDerWaalsContact O-N 3.13Å; S314-D318 PolarHBondContact O-N 2.86Å |
| 315 | N | 96.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 179.1 | -70.5 | -16.4 | 0 | 0 | 0 | 111.9 | H190 P193 K311 F312 D318 I319 | H190-N315 PolarHBondContact O-ND2 3.1Å; P193-N315 HydrophobicContact CG-CB 3.86Å; K311-N315 VanDerWaalsContact O-CG 3.28Å; K311-N315 PolarHBondContact O-N 3.49Å; K311-N315 PolarHBondContact O-ND2 3.26Å; F312-N315 PolarHBondContact O-N 2.83Å; N315-D318 PolarHBondContact O-N 2.72Å; N315-I319 WeakPolarHBondContact O-CD1 3.37Å; N315-I319 VanDerWaalsContact O-CG1 3.25Å; N315-I319 WeakPolarHBondContact O-CG1 3.28Å; N315-I319 PolarHBondContact O-N 3.01Å |
| 316 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 176.5 | -178.9 | 60 | 0 | 0 | 0 | 111.7 | F149 T153 L154 Y157 M218 F312 M313 S314 D318 I319 A320 | F149-L316 HydrophobicContact CE2-CD1 4.19Å; F149-L316 HydrophobicContact CZ-CD1 3.68Å; T153-L316 HydrophobicContact CG2-CD1 4.07Å; T153-L316 HydrophobicContact CG2-CD2 4.1Å; L154-L316 HydrophobicContact CD1-CD1 4Å; Y157-L316 HydrophobicContact CD1-CD2 4.4Å; Y157-L316 HydrophobicContact CD1-CG 4.17Å; Y157-L316 HydrophobicContact CD2-CD2 3.51Å; Y157-L316 HydrophobicContact CD2-CG 4.07Å; Y157-L316 HydrophobicContact CE1-CG 4.5Å; Y157-L316 HydrophobicContact CE2-CD2 4.12Å; Y157-L316 HydrophobicContact CE2-CG 4.41Å; Y157-L316 HydrophobicContact CG-CD2 3.68Å; Y157-L316 HydrophobicContact CG-CG 3.95Å; M218-L316 HydrophobicContact CG-CD2 4.05Å; M218-L316 HydrophobicContact SD-CD2 3.45Å; M218-L316 WeakPolarHBondContact SD-CD2 3.5Å; F312-L316 HydrophobicContact CE1-CD2 4.23Å; F312-L316 HydrophobicContact CZ-CB 4.49Å; F312-L316 HydrophobicContact CZ-CD2 3.8Å; F312-L316 WeakPolarHBondContact O-CB 3.48Å; F312-L316 PolarHBondContact O-N 3.03Å; M313-L316 PolarHBondContact O-N 3Å; S314-L316 VanDerWaalsContact C-N 3.28Å; S314-L316 PolarHBondContact O-N 3.25Å; L316-D318 VanDerWaalsContact C-N 3.34Å; L316-I319 PolarHBondContact O-N 3.48Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.28Å; L316-A320 PolarHBondContact O-N 2.89Å |
| 317 | A | 96.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M313 S314 A320 A321 | M313-A317 WeakPolarHBondContact O-CB 3.34Å; M313-A317 PolarHBondContact O-N 3.21Å; S314-A317 WeakPolarHBondContact O-CB 3.34Å; S314-A317 PolarHBondContact O-N 3.11Å; S314-A317 VanDerWaalsContact O-N 3.13Å; A317-A320 CarbonylContact O-C 3.46Å; A317-A320 PolarHBondContact O-N 2.98Å; A317-A321 WeakPolarHBondContact O-CB 3.35Å; A317-A321 PolarHBondContact O-N 2.98Å |
| 318 | D | 96.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 54.8 Ų | 54.8 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 175.9 | -66.6 | -27.8 | 0 | 0 | 0 | 111.8 | S314 N315 L316 A320 A321 | S314-D318 PolarHBondContact O-N 2.86Å; N315-D318 PolarHBondContact O-N 2.72Å; L316-D318 VanDerWaalsContact C-N 3.34Å; D318-A320 VanDerWaalsContact C-N 3.3Å; D318-A320 PolarHBondContact O-N 3.19Å; D318-A321 WeakPolarHBondContact O-CB 3.19Å; D318-A321 PolarHBondContact O-N 3.3Å |
| 319 | I | 96.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 174.5 | -66.2 | 162.6 | 0 | 0 | 0 | 111 | L145 F149 L154 P193 M194 N315 L316 P322 F323 | L145-I319 HydrophobicContact CD2-CG2 4.04Å; F149-I319 HydrophobicContact CE1-CG2 4.05Å; F149-I319 HydrophobicContact CZ-CD1 4.16Å; F149-I319 HydrophobicContact CZ-CG2 4.35Å; L154-I319 HydrophobicContact CD1-CG2 4.18Å; L154-I319 HydrophobicContact CD2-CG2 4.29Å; P193-I319 HydrophobicContact CB-CD1 4.29Å; P193-I319 HydrophobicContact CG-CD1 4.3Å; M194-I319 HydrophobicContact CG-CD1 4.02Å; M194-I319 HydrophobicContact SD-CD1 4.44Å; M194-I319 HydrophobicContact SD-CG2 4.5Å; N315-I319 WeakPolarHBondContact O-CD1 3.37Å; N315-I319 VanDerWaalsContact O-CG1 3.25Å; N315-I319 WeakPolarHBondContact O-CG1 3.28Å; N315-I319 PolarHBondContact O-N 3.01Å; L316-I319 PolarHBondContact O-N 3.48Å; I319-P322 WeakPolarHBondContact O-CD 3.27Å; I319-F323 WeakPolarHBondContact O-CE2 3.41Å |
| 320 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.8 | -23.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L154 Y157 I158 L316 A317 D318 P322 F323 L324 | L154-A320 HydrophobicContact CD1-CB 3.79Å; Y157-A320 HydrophobicContact CD1-CB 3.8Å; Y157-A320 HydrophobicContact CE1-CB 3.62Å; I158-A320 HydrophobicContact CD1-CB 4.44Å; I158-A320 HydrophobicContact CG1-CB 4.17Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.28Å; L316-A320 PolarHBondContact O-N 2.89Å; A317-A320 CarbonylContact O-C 3.46Å; A317-A320 PolarHBondContact O-N 2.98Å; D318-A320 VanDerWaalsContact C-N 3.3Å; D318-A320 PolarHBondContact O-N 3.19Å; A320-P322 VanDerWaalsContact C-CD 3.43Å; A320-F323 PolarHBondContact O-N 3.07Å; A320-L324 HydrophobicContact CB-CD1 3.84Å; A320-L324 HydrophobicContact CB-CG 4.29Å; A320-L324 PolarHBondContact O-N 3.42Å; A320-L324 VanDerWaalsContact O-N 3.14Å |
| 321 | A | 97.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.3 | -40.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | A317 D318 F323 L324 K325 | A317-A321 WeakPolarHBondContact O-CB 3.35Å; A317-A321 PolarHBondContact O-N 2.98Å; D318-A321 WeakPolarHBondContact O-CB 3.19Å; D318-A321 PolarHBondContact O-N 3.3Å; A321-F323 PolarHBondContact O-N 3.28Å; A321-L324 PolarHBondContact O-N 3.07Å; A321-K325 WeakPolarHBondContact O-CG 3.47Å |
| 322 | P | 96.2 | Very high | 95.1 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -29.1 | 176 | -24.2 | 35.8 | 0 | 0 | 0 | 113.7 | I319 A320 | I319-P322 WeakPolarHBondContact O-CD 3.27Å; A320-P322 VanDerWaalsContact C-CD 3.43Å |
| 323 | F | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -96.6 | -11.1 | -175.9 | -45.8 | -68.8 | 0 | 0 | 0 | 113.4 | P106 N107 R110 N143 L145 L154 I158 I319 A320 A321 | P106-F323 HydrophobicContact CB-CB 3.91Å; P106-F323 HydrophobicContact CB-CD1 3.9Å; P106-F323 HydrophobicContact CB-CD2 3.8Å; P106-F323 HydrophobicContact CB-CE1 4.35Å; P106-F323 HydrophobicContact CB-CE2 4.27Å; P106-F323 HydrophobicContact CB-CG 3.59Å; P106-F323 HydrophobicContact CG-CB 4.48Å; P106-F323 HydrophobicContact CG-CD1 3.5Å; P106-F323 VanDerWaalsContact CG-CD1 3.5Å; P106-F323 HydrophobicContact CG-CD2 3.88Å; P106-F323 HydrophobicContact CG-CE1 3.51Å; P106-F323 HydrophobicContact CG-CE2 3.9Å; P106-F323 HydrophobicContact CG-CG 3.68Å; P106-F323 HydrophobicContact CG-CZ 3.71Å; N107-F323 WeakPolarHBondContact OD1-CD1 3.34Å; R110-F323 WeakPolarHBondContact CB-O 3.36Å; R110-F323 VanDerWaalsContact CG-O 3.27Å; R110-F323 WeakPolarHBondContact CG-O 3.38Å; N143-F323 HydrophobicContact CB-CZ 4.13Å; L145-F323 HydrophobicContact CD1-CE2 4.19Å; L145-F323 HydrophobicContact CD1-CZ 3.97Å; L154-F323 HydrophobicContact CD2-CD2 4.31Å; L154-F323 HydrophobicContact CD2-CE2 4.04Å; I158-F323 HydrophobicContact CD1-CB 3.94Å; I158-F323 HydrophobicContact CD1-CD2 4.22Å; I158-F323 HydrophobicContact CD1-CG 4.41Å; I319-F323 WeakPolarHBondContact O-CE2 3.41Å; A320-F323 PolarHBondContact O-N 3.07Å; A321-F323 PolarHBondContact O-N 3.28Å |
| 324 | L | 90.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -95.7 | -13.3 | -178.6 | -73.7 | 177.3 | 0 | 0 | 0 | 114.2 | R110 Y157 I158 A320 A321 | R110-L324 PolarHBondContact NE-O 3.04Å; R110-L324 PolarHBondContact NH2-O 3.36Å; Y157-L324 HydrophobicContact CE1-CD1 4.19Å; I158-L324 HydrophobicContact CG1-CD2 4.29Å; I158-L324 HydrophobicContact CG2-CD2 4.01Å; A320-L324 HydrophobicContact CB-CD1 3.84Å; A320-L324 HydrophobicContact CB-CG 4.29Å; A320-L324 PolarHBondContact O-N 3.42Å; A320-L324 VanDerWaalsContact O-N 3.14Å; A321-L324 PolarHBondContact O-N 3.07Å |
| 325 | K | 78.4 | Confident | 94.4 | Very high | 213 Ų | 213 | 55 Ų | 55 | 93% | 0.926 | 30% | 0.3 | S | S | * | . | trans | -56.6 | 0 | 173.8 | -69.1 | 173.8 | -175 | -176.8 | 0 | 110.4 | K114 A321 | K114-K325 PolarHBondContact NZ-O 3.44Å; K114-K325 PolarHBondContact NZ-OXT 2.97Å; A321-K325 WeakPolarHBondContact O-CG 3.47Å |
Retrieved 325 of 325 residues in 430.2 ms
(Link to these results)