| 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 | 56.2 | Low | 84 | Confident | 203 Ų | 203 | 60.5 Ų | 60.5 | 100% | 1 | 33% | 0.33 | S | S | * | . | 0 | -49.5 | 0 | -70.4 | -63.6 | -150.5 | 0 | 0 | 113.9 | Q3 L4 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 2.92Å | |||
| 2 | A | 70.9 | Confident | 84.8 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59 | -30.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L4 I5 L6 | A2-L4 PolarHBondContact O-N 3.05Å; A2-I5 PolarHBondContact O-N 2.75Å; A2-L6 PolarHBondContact O-N 3.41Å |
| 3 | Q | 77.1 | Confident | 85.5 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.2 | -35 | -178.3 | -69.7 | 178.2 | -0.4 | 0 | 0 | 114.2 | M1 P7 V59 L214 | M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.33Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-P7 WeakPolarHBondContact O-CD 3.42Å; Q3-V59 HydrophobicContact CG-CG2 4.22Å; Q3-L214 HydrophobicContact CB-CD1 3.92Å; Q3-L214 HydrophobicContact CG-CD1 4.31Å |
| 4 | L | 79.7 | Confident | 86.1 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -84.7 | -26.1 | 180 | -62.1 | 175.6 | 0 | 0 | 0 | 112.4 | M1 A2 W210 Y248 F252 | M1-L4 PolarHBondContact O-N 2.92Å; A2-L4 PolarHBondContact O-N 3.05Å; L4-W210 HydrophobicContact CD2-CH2 4.35Å; L4-W210 HydrophobicContact CD2-CZ2 4.05Å; L4-Y248 PolarHBondContact O-OH 2.84Å; L4-F252 HydrophobicContact CD2-CD1 3.62Å; L4-F252 HydrophobicContact CD2-CE1 3.45Å; L4-F252 VanDerWaalsContact CD2-CE1 3.45Å |
| 5 | I | 88.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -82.4 | -34.8 | -171.1 | -59.6 | 173.5 | 0 | 0 | 0 | 111 | A2 L8 S9 | A2-I5 PolarHBondContact O-N 2.75Å; I5-L8 CarbonylContact O-C 3.55Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.02Å; I5-S9 WeakPolarHBondContact O-CB 3.12Å; I5-S9 PolarHBondContact O-N 3.09Å; I5-S9 PolarHBondContact O-OG 2.91Å |
| 6 | L | 88.6 | Confident | 86.8 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | -176.9 | -72.6 | 172 | 0 | 0 | 0 | 113.9 | A2 L8 S9 L10 V54 A55 N58 | A2-L6 PolarHBondContact O-N 3.41Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 2.82Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.83Å; L6-L10 PolarHBondContact O-N 2.91Å; L6-V54 HydrophobicContact CD1-CG1 4.13Å; L6-V54 HydrophobicContact CD2-CG1 4.3Å; L6-A55 HydrophobicContact CD1-CB 4.1Å; L6-N58 HydrophobicContact CD1-CB 4.46Å |
| 7 | P | 89.7 | Confident | 87.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 175.2 | -17.7 | 31.8 | 0 | 0 | 0 | 111.6 | Q3 F11 T217 V218 Y248 F252 | Q3-P7 WeakPolarHBondContact O-CD 3.42Å; P7-F11 WeakPolarHBondContact O-CB 3.48Å; P7-F11 PolarHBondContact O-N 3.25Å; P7-T217 HydrophobicContact CB-CG2 4.34Å; P7-V218 HydrophobicContact CB-CG2 4.19Å; P7-V218 HydrophobicContact CG-CG2 3.97Å; P7-Y248 HydrophobicContact CB-CE2 4.45Å; P7-F252 HydrophobicContact CB-CZ 4.47Å; P7-F252 HydrophobicContact CG-CZ 4.43Å |
| 8 | L | 92.3 | Very high | 87.5 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 178.9 | -176.7 | 61.2 | 0 | 0 | 0 | 111.7 | I5 L6 F11 L12 Y248 | I5-L8 CarbonylContact O-C 3.55Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.02Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 2.82Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-L12 HydrophobicContact CD1-CD1 3.8Å; L8-L12 HydrophobicContact CD1-CG 3.88Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.82Å; L8-Y248 WeakPolarHBondContact CA-OH 3.24Å; L8-Y248 HydrophobicContact CB-CE1 4.23Å; L8-Y248 VanDerWaalsContact CB-OH 3.31Å; L8-Y248 WeakPolarHBondContact CB-OH 3.46Å; L8-Y248 HydrophobicContact CD1-CD1 3.98Å; L8-Y248 HydrophobicContact CD1-CE1 3.58Å; L8-Y248 HydrophobicContact CD1-CE2 4.45Å; L8-Y248 HydrophobicContact CG-CE1 4.4Å; L8-Y248 PolarHBondContact N-OH 3.44Å; L8-Y248 VanDerWaalsContact N-OH 3.09Å |
| 9 | S | 93.6 | Very high | 87.6 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | -179.2 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | I5 L6 G13 | I5-S9 WeakPolarHBondContact O-CB 3.12Å; I5-S9 PolarHBondContact O-N 3.09Å; I5-S9 PolarHBondContact O-OG 2.91Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.83Å; S9-G13 WeakPolarHBondContact O-CA 3.32Å; S9-G13 PolarHBondContact O-N 2.95Å |
| 10 | L | 93.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 173.7 | 177.9 | 69.2 | 0 | 0 | 0 | 110.8 | L6 G13 L14 L47 A48 T51 V218 A222 | L6-L10 PolarHBondContact O-N 2.91Å; L10-G13 PolarHBondContact O-N 3.5Å; L10-L14 HydrophobicContact CD1-CD1 3.95Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 HydrophobicContact CG-CG 4.44Å; L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 2.7Å; L10-L47 HydrophobicContact CD1-CB 3.93Å; L10-A48 HydrophobicContact CD2-CB 4.12Å; L10-T51 HydrophobicContact CB-CG2 4.1Å; L10-T51 HydrophobicContact CD2-CG2 4.27Å; L10-V218 HydrophobicContact CD2-CG1 3.56Å; L10-A222 HydrophobicContact CD2-CB 4.12Å |
| 11 | F | 93.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -52.7 | -179.3 | 177 | -101.9 | 0 | 0 | 0 | 112 | P7 L8 L15 M221 V225 A244 Y248 | P7-F11 WeakPolarHBondContact O-CB 3.48Å; P7-F11 PolarHBondContact O-N 3.25Å; L8-F11 PolarHBondContact O-N 2.77Å; F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-M221 HydrophobicContact CD2-CB 4.02Å; F11-V225 HydrophobicContact CD2-CB 3.93Å; F11-V225 HydrophobicContact CD2-CG2 4Å; F11-V225 HydrophobicContact CE2-CB 3.89Å; F11-V225 HydrophobicContact CE2-CG2 3.88Å; F11-A244 HydrophobicContact CZ-CB 3.71Å; F11-A244 WeakPolarHBondContact CZ-O 3.3Å; F11-Y248 HydrophobicContact CB-CD2 4.26Å; F11-Y248 HydrophobicContact CB-CE2 4.22Å; F11-Y248 AromaticContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CG 4.19Å; F11-Y248 HydrophobicContact CD2-CD2 4.26Å; F11-Y248 HydrophobicContact CE1-CD2 4.3Å; F11-Y248 HydrophobicContact CE1-CG 4.26Å; F11-Y248 AromaticContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CE2 4.34Å |
| 12 | L | 93 | Very high | 89.5 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 177.8 | -69.5 | 178.7 | 0 | 0 | 0 | 111.9 | L8 L15 M16 M245 | L8-L12 HydrophobicContact CD1-CD1 3.8Å; L8-L12 HydrophobicContact CD1-CG 3.88Å; L8-L12 HydrophobicContact CG-CD1 3.89Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.82Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.5Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 3.42Å; L12-M245 HydrophobicContact CD2-CG 4.44Å; L12-M245 HydrophobicContact CD2-SD 4.49Å |
| 13 | G | 94.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S9 L10 T17 | S9-G13 WeakPolarHBondContact O-CA 3.32Å; S9-G13 PolarHBondContact O-N 2.95Å; L10-G13 PolarHBondContact O-N 3.5Å; G13-T17 VanDerWaalsContact O-CB 3.25Å; G13-T17 WeakPolarHBondContact O-CB 3.47Å; G13-T17 PolarHBondContact O-N 2.92Å; G13-T17 PolarHBondContact O-OG1 3Å |
| 14 | L | 93.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 173.8 | -75.9 | 173.4 | 0 | 0 | 0 | 111.2 | L10 M16 T17 L18 A44 L47 A222 V225 | L10-L14 HydrophobicContact CD1-CD1 3.95Å; L10-L14 HydrophobicContact CD1-CG 4.12Å; L10-L14 HydrophobicContact CG-CD1 3.95Å; L10-L14 HydrophobicContact CG-CG 4.44Å; L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 2.7Å; L14-M16 PolarHBondContact O-N 2.85Å; L14-T17 PolarHBondContact O-N 2.95Å; L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 2.96Å; L14-L18 PolarHBondContact O-N 2.77Å; L14-A44 HydrophobicContact CD1-CB 4.07Å; L14-A44 HydrophobicContact CD2-CB 4.22Å; L14-L47 HydrophobicContact CD2-CD1 3.94Å; L14-A222 HydrophobicContact CD1-CB 4.01Å; L14-V225 HydrophobicContact CB-CG1 3.66Å; L14-V225 HydrophobicContact CB-CG2 4.33Å; L14-V225 HydrophobicContact CD1-CG1 3.69Å; L14-V225 HydrophobicContact CG-CG1 4.31Å |
| 15 | L | 92.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.1 | -169.7 | 64.9 | 0 | 0 | 0 | 111.5 | F11 L12 G19 V225 M241 A244 M245 | F11-L15 HydrophobicContact CE1-CD2 4.25Å; F11-L15 VanDerWaalsContact O-CB 3.22Å; F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-G19 WeakPolarHBondContact O-CA 3.05Å; L15-G19 PolarHBondContact O-N 2.88Å; L15-V225 HydrophobicContact CB-CG2 3.69Å; L15-V225 HydrophobicContact CD1-CG2 3.71Å; L15-V225 HydrophobicContact CG-CG2 4.26Å; L15-M241 HydrophobicContact CD1-CG 4.09Å; L15-M241 HydrophobicContact CD2-CB 3.7Å; L15-M241 HydrophobicContact CD2-CG 3.72Å; L15-M241 HydrophobicContact CD2-SD 4.11Å; L15-M241 HydrophobicContact CG-CB 4.23Å; L15-M241 HydrophobicContact CG-CE 4.25Å; L15-M241 HydrophobicContact CG-CG 3.68Å; L15-M241 HydrophobicContact CG-SD 3.97Å; L15-M241 WeakPolarHBondContact O-CE 3.16Å; L15-A244 HydrophobicContact CD1-CB 4.12Å; L15-A244 HydrophobicContact CD2-CB 4.22Å; L15-M245 HydrophobicContact CD2-CG 4.39Å |
| 16 | M | 91 | Very high | 91.6 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.8 | -43.7 | 178 | -71.4 | -172.7 | -178.5 | 0 | 0 | 112.4 | L12 L14 K20 | L12-M16 WeakPolarHBondContact O-CB 3.5Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.47Å; L12-M16 PolarHBondContact O-N 3.42Å; L14-M16 PolarHBondContact O-N 2.85Å; M16-K20 WeakPolarHBondContact O-CB 3.15Å; M16-K20 PolarHBondContact O-N 2.85Å |
| 17 | T | 93.5 | Very high | 91.7 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68 | -51.9 | -178.1 | -55 | 0 | 0 | 0 | 0 | 110.8 | G13 L14 G19 K20 L21 | G13-T17 VanDerWaalsContact O-CB 3.25Å; G13-T17 WeakPolarHBondContact O-CB 3.47Å; G13-T17 PolarHBondContact O-N 2.92Å; G13-T17 PolarHBondContact O-OG1 3Å; L14-T17 PolarHBondContact O-N 2.95Å; T17-G19 VanDerWaalsContact C-N 3.33Å; T17-G19 PolarHBondContact O-N 2.86Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.75Å; T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.86Å |
| 18 | L | 92.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.6 | -65.2 | -179.6 | 0 | 0 | 0 | 111.1 | L14 K20 L21 Y22 I27 L40 V226 S229 | L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 2.96Å; L14-L18 PolarHBondContact O-N 2.77Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.81Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-Y22 WeakPolarHBondContact O-CD2 3.25Å; L18-Y22 PolarHBondContact O-N 3.05Å; L18-I27 HydrophobicContact CD2-CD1 4.33Å; L18-L40 HydrophobicContact CD2-CD2 4.03Å; L18-V226 HydrophobicContact CD1-CG2 4.32Å; L18-S229 WeakPolarHBondContact CB-OG 3.24Å; L18-S229 WeakPolarHBondContact CD1-OG 3.38Å |
| 19 | G | 90 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 T17 Y22 T23 | L15-G19 WeakPolarHBondContact O-CA 3.05Å; L15-G19 PolarHBondContact O-N 2.88Å; T17-G19 VanDerWaalsContact C-N 3.33Å; T17-G19 PolarHBondContact O-N 2.86Å; G19-Y22 PolarHBondContact O-N 3.43Å; G19-T23 WeakPolarHBondContact O-CG2 3.46Å; G19-T23 PolarHBondContact O-N 2.88Å; G19-T23 VanDerWaalsContact O-N 3.08Å; G19-T23 PolarHBondContact O-OG1 2.94Å |
| 20 | K | 89.8 | Confident | 91.8 | Very high | 99 Ų | 99 | 49 Ų | 49 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.4 | -174.9 | -174.4 | 172.5 | -169.3 | 0 | 111.4 | M16 T17 L18 Y22 T23 E24 | M16-K20 WeakPolarHBondContact O-CB 3.15Å; M16-K20 PolarHBondContact O-N 2.85Å; T17-K20 WeakPolarHBondContact O-CB 3.2Å; T17-K20 PolarHBondContact O-N 2.75Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 2.81Å; K20-Y22 PolarHBondContact O-N 3.29Å; K20-T23 WeakPolarHBondContact CA-OG1 3.39Å; K20-T23 PolarHBondContact O-N 2.87Å; K20-T23 PolarHBondContact O-OG1 2.87Å; K20-E24 WeakPolarHBondContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE2 3.48Å; K20-E24 IonicContact NZ-OE1 3.95Å; K20-E24 PolarHBondContact O-N 2.8Å |
| 21 | L | 91.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -28.4 | 179.4 | -63.2 | 172.8 | 0 | 0 | 0 | 113 | T17 L18 S25 E26 I27 | T17-L21 HydrophobicContact CG2-CD1 4.22Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.47Å; T17-L21 PolarHBondContact O-N 2.86Å; L18-L21 HydrophobicContact CD2-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.91Å; L21-S25 PolarHBondContact O-N 2.79Å; L21-E26 HydrophobicContact CB-CB 4.48Å; L21-E26 HydrophobicContact CD2-CB 4.25Å; L21-E26 HydrophobicContact CD2-CG 4.36Å; L21-E26 WeakPolarHBondContact CD2-OE2 3.39Å; L21-E26 PolarHBondContact O-N 2.84Å; L21-I27 HydrophobicContact CB-CD1 3.59Å; L21-I27 HydrophobicContact CB-CG1 3.77Å; L21-I27 PolarHBondContact O-N 2.92Å |
| 22 | Y | 89.4 | Confident | 91.7 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 169.4 | -87.7 | -69.6 | 0 | 0 | 0 | 111.7 | L18 G19 K20 S25 I27 S229 V230 | L18-Y22 WeakPolarHBondContact O-CD2 3.25Å; L18-Y22 PolarHBondContact O-N 3.05Å; G19-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 PolarHBondContact O-N 3.29Å; Y22-S25 PolarHBondContact O-N 2.77Å; Y22-I27 HydrophobicContact CD1-CB 4.03Å; Y22-I27 HydrophobicContact CD1-CD1 4.26Å; Y22-I27 HydrophobicContact CD1-CG2 4.02Å; Y22-I27 HydrophobicContact CD2-CD1 3.44Å; Y22-I27 VanDerWaalsContact CD2-CD1 3.44Å; Y22-I27 HydrophobicContact CE1-CB 3.97Å; Y22-I27 HydrophobicContact CE1-CD1 4.3Å; Y22-I27 HydrophobicContact CE1-CG2 3.43Å; Y22-I27 VanDerWaalsContact CE1-CG2 3.43Å; Y22-I27 HydrophobicContact CE2-CD1 3.47Å; Y22-I27 VanDerWaalsContact CE2-CD1 3.47Å; Y22-I27 HydrophobicContact CE2-CG2 4.3Å; Y22-I27 HydrophobicContact CG-CB 4.4Å; Y22-I27 HydrophobicContact CG-CD1 3.83Å; Y22-S229 WeakPolarHBondContact CD2-O 3.49Å; Y22-V230 HydrophobicContact CE1-CG1 4.3Å; Y22-V230 HydrophobicContact CE1-CG2 4.16Å; Y22-V230 HydrophobicContact CE2-CG2 4Å |
| 23 | T | 87.3 | Confident | 91.8 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -33.6 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | G19 K20 S25 V231 | G19-T23 WeakPolarHBondContact O-CG2 3.46Å; G19-T23 PolarHBondContact O-N 2.88Å; G19-T23 VanDerWaalsContact O-N 3.08Å; G19-T23 PolarHBondContact O-OG1 2.94Å; K20-T23 WeakPolarHBondContact CA-OG1 3.39Å; K20-T23 PolarHBondContact O-N 2.87Å; K20-T23 PolarHBondContact O-OG1 2.87Å; T23-S25 PolarHBondContact O-N 3.33Å; T23-V231 HydrophobicContact CG2-CB 4.3Å; T23-V231 HydrophobicContact CG2-CG1 4.07Å |
| 24 | E | 90.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.1 | 175.4 | -68.9 | 173.2 | 172.8 | 0 | 0 | 112.3 | K20 E26 | K20-E24 WeakPolarHBondContact CE-OE1 3.32Å; K20-E24 WeakPolarHBondContact CE-OE2 3.48Å; K20-E24 IonicContact NZ-OE1 3.95Å; K20-E24 PolarHBondContact O-N 2.8Å; E24-E26 HydrophobicContact CB-CG 4.45Å; E24-E26 PolarHBondContact O-N 2.83Å; E24-E26 VanDerWaalsContact O-N 3.13Å |
| 25 | S | 89.6 | Confident | 91.5 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 11 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 115.8 | L21 Y22 T23 I27 T28 V29 | L21-S25 PolarHBondContact O-N 2.79Å; Y22-S25 PolarHBondContact O-N 2.77Å; T23-S25 PolarHBondContact O-N 3.33Å; S25-I27 PolarHBondContact O-N 2.84Å; S25-T28 WeakPolarHBondContact O-CB 3.07Å; S25-T28 PolarHBondContact O-N 3Å; S25-V29 WeakPolarHBondContact O-CG2 3.41Å; S25-V29 PolarHBondContact O-N 2.85Å |
| 26 | E | 93.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 65.5 Ų | 65.5 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.8 | -65.7 | -168.7 | -161.8 | 0 | 0 | 111.8 | L21 E24 T28 V29 M30 | L21-E26 HydrophobicContact CB-CB 4.48Å; L21-E26 HydrophobicContact CD2-CB 4.25Å; L21-E26 HydrophobicContact CD2-CG 4.36Å; L21-E26 WeakPolarHBondContact CD2-OE2 3.39Å; L21-E26 PolarHBondContact O-N 2.84Å; E24-E26 HydrophobicContact CB-CG 4.45Å; E24-E26 PolarHBondContact O-N 2.83Å; E24-E26 VanDerWaalsContact O-N 3.13Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.24Å; E26-V29 PolarHBondContact O-N 2.95Å; E26-M30 WeakPolarHBondContact O-CG 3.34Å; E26-M30 PolarHBondContact O-N 2.84Å |
| 27 | I | 91.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.7 | -66.5 | 165.9 | 0 | 0 | 0 | 111.2 | L18 L21 Y22 S25 V29 M30 H31 L40 | L18-I27 HydrophobicContact CD2-CD1 4.33Å; L21-I27 HydrophobicContact CB-CD1 3.59Å; L21-I27 HydrophobicContact CB-CG1 3.77Å; L21-I27 PolarHBondContact O-N 2.92Å; Y22-I27 HydrophobicContact CD1-CB 4.03Å; Y22-I27 HydrophobicContact CD1-CD1 4.26Å; Y22-I27 HydrophobicContact CD1-CG2 4.02Å; Y22-I27 HydrophobicContact CD2-CD1 3.44Å; Y22-I27 VanDerWaalsContact CD2-CD1 3.44Å; Y22-I27 HydrophobicContact CE1-CB 3.97Å; Y22-I27 HydrophobicContact CE1-CD1 4.3Å; Y22-I27 HydrophobicContact CE1-CG2 3.43Å; Y22-I27 VanDerWaalsContact CE1-CG2 3.43Å; Y22-I27 HydrophobicContact CE2-CD1 3.47Å; Y22-I27 VanDerWaalsContact CE2-CD1 3.47Å; Y22-I27 HydrophobicContact CE2-CG2 4.3Å; Y22-I27 HydrophobicContact CG-CB 4.4Å; Y22-I27 HydrophobicContact CG-CD1 3.83Å; S25-I27 PolarHBondContact O-N 2.84Å; I27-V29 VanDerWaalsContact C-N 3.35Å; I27-M30 HydrophobicContact CB-CE 4.07Å; I27-M30 HydrophobicContact CG1-CE 3.5Å; I27-M30 VanDerWaalsContact CG1-CE 3.5Å; I27-M30 PolarHBondContact O-N 3.15Å; I27-H31 VanDerWaalsContact CG2-CE1 3.47Å; I27-H31 WeakPolarHBondContact CG2-CE1 3.47Å; I27-H31 PolarHBondContact O-N 3.18Å; I27-L40 HydrophobicContact CD1-CD2 3.88Å; I27-L40 HydrophobicContact CG1-CD2 4.24Å; I27-L40 HydrophobicContact CG2-CD2 4.21Å |
| 28 | T | 90.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 61.2 Ų | 61.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176 | -52.8 | 0 | 0 | 0 | 0 | 111 | S25 E26 H31 A32 | S25-T28 WeakPolarHBondContact O-CB 3.07Å; S25-T28 PolarHBondContact O-N 3Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.24Å; T28-H31 PolarHBondContact O-N 3.36Å; T28-A32 PolarHBondContact O-N 2.9Å |
| 29 | V | 94 | Very high | 90.9 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | S25 E26 I27 H31 A32 C33 | S25-V29 WeakPolarHBondContact O-CG2 3.41Å; S25-V29 PolarHBondContact O-N 2.85Å; E26-V29 PolarHBondContact O-N 2.95Å; I27-V29 VanDerWaalsContact C-N 3.35Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.74Å; V29-A32 WeakPolarHBondContact O-CB 3.26Å; V29-A32 PolarHBondContact O-N 2.88Å; V29-C33 PolarHBondContact O-N 2.68Å; V29-C33 PolarHBondContact O-SG 3.32Å |
| 30 | M | 93.7 | Very high | 91 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 175.6 | -75.3 | -167.3 | -73.6 | 0 | 0 | 112 | E26 I27 A32 C33 G34 L35 | E26-M30 WeakPolarHBondContact O-CG 3.34Å; E26-M30 PolarHBondContact O-N 2.84Å; I27-M30 HydrophobicContact CB-CE 4.07Å; I27-M30 HydrophobicContact CG1-CE 3.5Å; I27-M30 VanDerWaalsContact CG1-CE 3.5Å; I27-M30 PolarHBondContact O-N 3.15Å; M30-A32 VanDerWaalsContact C-N 3.35Å; M30-C33 PolarHBondContact O-N 2.91Å; M30-G34 PolarHBondContact O-N 2.86Å; M30-L35 HydrophobicContact CB-CB 4.29Å; M30-L35 HydrophobicContact CB-CD1 3.84Å; M30-L35 HydrophobicContact CG-CD1 3.87Å; M30-L35 WeakPolarHBondContact O-CB 3.07Å; M30-L35 PolarHBondContact O-N 2.8Å; M30-L35 HydrophobicContact SD-CD1 4.2Å |
| 31 | H | 90.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 175.7 | -68.4 | 161.4 | 0 | 0 | 0 | 112.5 | I27 T28 V29 C33 G34 L35 | I27-H31 VanDerWaalsContact CG2-CE1 3.47Å; I27-H31 WeakPolarHBondContact CG2-CE1 3.47Å; I27-H31 PolarHBondContact O-N 3.18Å; T28-H31 PolarHBondContact O-N 3.36Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.74Å; H31-C33 VanDerWaalsContact C-N 3.29Å; H31-C33 PolarHBondContact O-N 2.82Å; H31-G34 PolarHBondContact O-N 3.47Å; H31-G34 VanDerWaalsContact O-N 3.08Å; H31-L35 PolarHBondContact CD2-O 3.22Å; H31-L35 VanDerWaalsContact CD2-O 3.27Å |
| 32 | A | 93 | Very high | 91.3 | Very high | 89 Ų | 89 | 66 Ų | 66 | 74% | 0.736 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.6 | -31.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T28 V29 M30 G34 | T28-A32 PolarHBondContact O-N 2.9Å; V29-A32 WeakPolarHBondContact O-CB 3.26Å; V29-A32 PolarHBondContact O-N 2.88Å; M30-A32 VanDerWaalsContact C-N 3.35Å; A32-G34 PolarHBondContact O-N 2.9Å |
| 33 | C | 95 | Very high | 91.5 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 70% | 0.696 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.5 | 172.5 | -64 | 0 | 0 | 0 | 0 | 113.9 | V29 M30 H31 | V29-C33 PolarHBondContact O-N 2.68Å; V29-C33 PolarHBondContact O-SG 3.32Å; M30-C33 PolarHBondContact O-N 2.91Å; H31-C33 VanDerWaalsContact C-N 3.29Å; H31-C33 PolarHBondContact O-N 2.82Å |
| 34 | G | 91.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 65.2 Ų | 65.2 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M30 H31 A32 S36 | M30-G34 PolarHBondContact O-N 2.86Å; H31-G34 PolarHBondContact O-N 3.47Å; H31-G34 VanDerWaalsContact O-N 3.08Å; A32-G34 PolarHBondContact O-N 2.9Å; G34-S36 PolarHBondContact O-N 2.93Å |
| 35 | L | 90.9 | Very high | 92.1 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | trans | -69.6 | 131.9 | 170.5 | -67.8 | 162.2 | 0 | 0 | 0 | 109.2 | M30 H31 V39 | M30-L35 HydrophobicContact CB-CB 4.29Å; M30-L35 HydrophobicContact CB-CD1 3.84Å; M30-L35 HydrophobicContact CG-CD1 3.87Å; M30-L35 WeakPolarHBondContact O-CB 3.07Å; M30-L35 PolarHBondContact O-N 2.8Å; M30-L35 HydrophobicContact SD-CD1 4.2Å; H31-L35 PolarHBondContact CD2-O 3.22Å; H31-L35 VanDerWaalsContact CD2-O 3.27Å; L35-V39 HydrophobicContact CD2-CG2 4Å | ||
| 36 | S | 88.1 | Confident | 92.4 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | trans | -88.7 | 161.4 | 177.3 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | G34 A38 V39 | G34-S36 PolarHBondContact O-N 2.93Å; S36-A38 PolarHBondContact O-N 3.08Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.92Å; S36-V39 PolarHBondContact O-N 3.24Å | ||
| 37 | K | 87.4 | Confident | 92.5 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.1 | -20.6 | 171.8 | -63.9 | -170.7 | 178.4 | -161.7 | 0 | 113.7 | V39 L40 V41 D291 | K37-V39 PolarHBondContact O-N 2.64Å; K37-L40 PolarHBondContact O-N 2.82Å; K37-L40 VanDerWaalsContact O-N 3.1Å; K37-V41 PolarHBondContact O-N 2.98Å; K37-D291 HydrophobicContact CD-CB 4.43Å; K37-D291 IonicContact NZ-OD2 2.85Å; K37-D291 PolarHBondContact NZ-OD2 3.26Å |
| 38 | A | 89.2 | Confident | 92.6 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -27.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S36 K42 | S36-A38 PolarHBondContact O-N 3.08Å; S36-A38 WeakPolarHBondContact OG-CB 3.33Å; S36-A38 PolarHBondContact OG-N 2.92Å; A38-K42 WeakPolarHBondContact O-CB 3.24Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.16Å; A38-K42 PolarHBondContact O-N 2.75Å |
| 39 | V | 92.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.4 | 179 | 0 | 0 | 0 | 0 | 110.5 | L35 S36 K37 K42 A43 | L35-V39 HydrophobicContact CD2-CG2 4Å; S36-V39 PolarHBondContact O-N 3.24Å; K37-V39 PolarHBondContact O-N 2.64Å; V39-K42 PolarHBondContact O-N 3.24Å; V39-A43 PolarHBondContact O-N 3.14Å |
| 40 | L | 92.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.6 | -72.1 | 79.4 | 0 | 0 | 0 | 111.1 | L18 I27 K37 A43 A44 V226 | L18-L40 HydrophobicContact CD2-CD2 4.03Å; I27-L40 HydrophobicContact CD1-CD2 3.88Å; I27-L40 HydrophobicContact CG1-CD2 4.24Å; I27-L40 HydrophobicContact CG2-CD2 4.21Å; K37-L40 PolarHBondContact O-N 2.82Å; K37-L40 VanDerWaalsContact O-N 3.1Å; L40-A43 PolarHBondContact O-N 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 2.82Å; L40-V226 HydrophobicContact CB-CG1 3.98Å |
| 41 | V | 92.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | K37 A43 A44 M45 L223 V226 N288 | K37-V41 PolarHBondContact O-N 2.98Å; V41-A43 PolarHBondContact O-N 2.73Å; V41-A44 PolarHBondContact O-N 3.49Å; V41-M45 HydrophobicContact CG1-CG 4.2Å; V41-M45 WeakPolarHBondContact O-CB 3.09Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.31Å; V41-M45 PolarHBondContact O-N 2.89Å; V41-L223 HydrophobicContact CG1-CD1 3.73Å; V41-V226 HydrophobicContact CG2-CB 4.25Å; V41-V226 HydrophobicContact CG2-CG1 3.83Å; V41-V226 HydrophobicContact CG2-CG2 4.31Å; V41-N288 WeakPolarHBondContact CG2-OD1 3.39Å |
| 42 | K | 94.2 | Very high | 93.1 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 176.8 | -77.8 | 176.7 | -179.3 | -174.5 | 0 | 111.7 | A38 V39 M45 I46 | A38-K42 WeakPolarHBondContact O-CB 3.24Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.16Å; A38-K42 PolarHBondContact O-N 2.75Å; V39-K42 PolarHBondContact O-N 3.24Å; K42-M45 PolarHBondContact O-N 3.17Å; K42-I46 WeakPolarHBondContact O-CG1 3.21Å; K42-I46 PolarHBondContact O-N 3.26Å |
| 43 | A | 94.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V39 L40 V41 M45 I46 L47 | V39-A43 PolarHBondContact O-N 3.14Å; L40-A43 PolarHBondContact O-N 3.28Å; V41-A43 PolarHBondContact O-N 2.73Å; A43-M45 VanDerWaalsContact C-N 3.33Å; A43-M45 PolarHBondContact O-N 2.73Å; A43-I46 PolarHBondContact O-N 2.81Å; A43-L47 PolarHBondContact O-N 3.35Å; A43-L47 VanDerWaalsContact O-N 3.17Å |
| 44 | A | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L14 L40 V41 L47 A48 V226 | L14-A44 HydrophobicContact CD1-CB 4.07Å; L14-A44 HydrophobicContact CD2-CB 4.22Å; L40-A44 WeakPolarHBondContact O-CB 3.18Å; L40-A44 PolarHBondContact O-N 2.82Å; V41-A44 PolarHBondContact O-N 3.49Å; A44-L47 PolarHBondContact O-N 2.82Å; A44-A48 WeakPolarHBondContact O-CB 3.14Å; A44-A48 PolarHBondContact O-N 2.8Å; A44-V226 HydrophobicContact CB-CG2 3.77Å |
| 45 | M | 94.3 | Very high | 93.1 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 178.6 | -71.8 | -58.5 | -63.9 | 0 | 0 | 112.9 | V41 K42 A43 A48 V49 F219 | V41-M45 HydrophobicContact CG1-CG 4.2Å; V41-M45 WeakPolarHBondContact O-CB 3.09Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.31Å; V41-M45 PolarHBondContact O-N 2.89Å; K42-M45 PolarHBondContact O-N 3.17Å; A43-M45 VanDerWaalsContact C-N 3.33Å; A43-M45 PolarHBondContact O-N 2.73Å; M45-A48 WeakPolarHBondContact O-CB 3.22Å; M45-A48 PolarHBondContact O-N 3.26Å; M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 2.87Å; M45-F219 HydrophobicContact CE-CB 4.43Å; M45-F219 HydrophobicContact CE-CD1 3.6Å; M45-F219 HydrophobicContact CE-CE1 4.35Å; M45-F219 HydrophobicContact CE-CG 4.45Å |
| 46 | I | 95.7 | Very high | 93.1 | Very high | 102 Ų | 102 | 56 Ų | 56 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 173.6 | -69.5 | 165 | 0 | 0 | 0 | 110 | K42 A43 A48 V49 F50 | K42-I46 WeakPolarHBondContact O-CG1 3.21Å; K42-I46 PolarHBondContact O-N 3.26Å; A43-I46 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 2.77Å; I46-V49 PolarHBondContact O-N 2.8Å; I46-F50 HydrophobicContact CG2-CD2 4.16Å; I46-F50 HydrophobicContact CG2-CE2 3.79Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.06Å |
| 47 | L | 95.1 | Very high | 93.2 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 175.6 | -70.2 | 168.8 | 0 | 0 | 0 | 112.3 | L10 L14 A43 A44 F50 T51 | L10-L47 HydrophobicContact CD1-CB 3.93Å; L14-L47 HydrophobicContact CD2-CD1 3.94Å; A43-L47 PolarHBondContact O-N 3.35Å; A43-L47 VanDerWaalsContact O-N 3.17Å; A44-L47 PolarHBondContact O-N 2.82Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-N 3.19Å; L47-T51 PolarHBondContact O-OG1 2.84Å |
| 48 | A | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L10 A44 M45 I46 T51 A52 V218 F219 A222 | L10-A48 HydrophobicContact CD2-CB 4.12Å; A44-A48 WeakPolarHBondContact O-CB 3.14Å; A44-A48 PolarHBondContact O-N 2.8Å; M45-A48 WeakPolarHBondContact O-CB 3.22Å; M45-A48 PolarHBondContact O-N 3.26Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 2.77Å; A48-T51 PolarHBondContact O-N 2.8Å; A48-A52 WeakPolarHBondContact O-CB 3.3Å; A48-A52 PolarHBondContact O-N 3.49Å; A48-V218 HydrophobicContact CB-CG1 4.26Å; A48-V218 WeakPolarHBondContact O-CG1 3.24Å; A48-F219 HydrophobicContact CB-CD1 3.88Å; A48-F219 HydrophobicContact CB-CE1 4.26Å; A48-A222 HydrophobicContact CB-CB 3.6Å |
| 49 | V | 95.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | M45 I46 T51 A52 I53 F219 | M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 2.87Å; I46-V49 PolarHBondContact O-N 2.8Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3Å; V49-I53 HydrophobicContact CG1-CD1 3.93Å; V49-I53 VanDerWaalsContact O-CG1 3.31Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.3Å; V49-F219 HydrophobicContact CB-CE1 4.47Å; V49-F219 HydrophobicContact CG2-CE1 3.77Å; V49-F219 HydrophobicContact CG2-CZ 4.36Å |
| 50 | F | 95.1 | Very high | 92.9 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 60% | 0.601 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.5 | -46.5 | 178 | -75.8 | -70 | 0 | 0 | 0 | 111.9 | I46 L47 A52 I53 V54 | I46-F50 HydrophobicContact CG2-CD2 4.16Å; I46-F50 HydrophobicContact CG2-CE2 3.79Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.06Å; L47-F50 PolarHBondContact O-N 2.94Å; F50-A52 PolarHBondContact O-N 3.13Å; F50-I53 PolarHBondContact O-N 3.21Å; F50-V54 WeakPolarHBondContact O-CG2 3.24Å; F50-V54 PolarHBondContact O-N 2.92Å |
| 51 | T | 94.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 179.9 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | L10 L47 A48 V49 V54 A55 V218 | L10-T51 HydrophobicContact CB-CG2 4.1Å; L10-T51 HydrophobicContact CD2-CG2 4.27Å; L47-T51 PolarHBondContact O-N 3.19Å; L47-T51 PolarHBondContact O-OG1 2.84Å; A48-T51 PolarHBondContact O-N 2.8Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.92Å; T51-V54 PolarHBondContact O-N 3.06Å; T51-A55 WeakPolarHBondContact O-CB 3.34Å; T51-A55 PolarHBondContact O-N 2.84Å; T51-V218 HydrophobicContact CG2-CG1 3.92Å |
| 52 | A | 93.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -36.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A48 V49 F50 A55 A56 V215 V218 F219 | A48-A52 WeakPolarHBondContact O-CB 3.3Å; A48-A52 PolarHBondContact O-N 3.49Å; V49-A52 PolarHBondContact O-N 3Å; F50-A52 PolarHBondContact O-N 3.13Å; A52-A55 PolarHBondContact O-N 3.16Å; A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.41Å; A52-V215 HydrophobicContact CB-CG1 4.27Å; A52-V218 HydrophobicContact CB-CB 4.24Å; A52-V218 HydrophobicContact CB-CG1 4.12Å; A52-F219 HydrophobicContact CB-CD2 4.23Å; A52-F219 HydrophobicContact CB-CE1 4.25Å; A52-F219 HydrophobicContact CB-CE2 3.41Å; A52-F219 VanDerWaalsContact CB-CE2 3.41Å; A52-F219 HydrophobicContact CB-CZ 3.43Å; A52-F219 VanDerWaalsContact CB-CZ 3.43Å |
| 53 | I | 93.9 | Very high | 91.7 | Very high | 99 Ų | 99 | 55.3 Ų | 55.3 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 173.1 | -68.3 | 165.2 | 0 | 0 | 0 | 110 | V49 F50 A55 A56 V57 | V49-I53 HydrophobicContact CG1-CD1 3.93Å; V49-I53 VanDerWaalsContact O-CG1 3.31Å; V49-I53 WeakPolarHBondContact O-CG1 3.29Å; V49-I53 PolarHBondContact O-N 3.3Å; F50-I53 PolarHBondContact O-N 3.21Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 3.49Å; I53-A56 PolarHBondContact O-N 3.31Å; I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 3.48Å |
| 54 | V | 93.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | L6 F50 T51 V57 N58 | L6-V54 HydrophobicContact CD1-CG1 4.13Å; L6-V54 HydrophobicContact CD2-CG1 4.3Å; F50-V54 WeakPolarHBondContact O-CG2 3.24Å; F50-V54 PolarHBondContact O-N 2.92Å; T51-V54 PolarHBondContact O-N 3.06Å; V54-V57 PolarHBondContact O-N 3.16Å; V54-N58 WeakPolarHBondContact O-CB 3.2Å; V54-N58 PolarHBondContact O-N 2.83Å |
| 55 | A | 91.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L6 T51 A52 I53 N58 V59 V218 | L6-A55 HydrophobicContact CD1-CB 4.1Å; T51-A55 WeakPolarHBondContact O-CB 3.34Å; T51-A55 PolarHBondContact O-N 2.84Å; A52-A55 PolarHBondContact O-N 3.16Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-A55 PolarHBondContact O-N 3.49Å; A55-N58 WeakPolarHBondContact O-CB 3.21Å; A55-N58 PolarHBondContact O-N 3.22Å; A55-V59 WeakPolarHBondContact O-CB 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.25Å; A55-V59 WeakPolarHBondContact O-CG2 2.94Å; A55-V59 PolarHBondContact O-N 2.85Å; A55-V218 HydrophobicContact CB-CG2 4.29Å |
| 56 | A | 91.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 61 Ų | 61 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A52 I53 N58 V59 M60 V215 | A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 3.41Å; I53-A56 PolarHBondContact O-N 3.31Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.78Å; A56-V59 PolarHBondContact O-N 3.49Å; A56-M60 HydrophobicContact CB-CE 4.07Å; A56-M60 WeakPolarHBondContact O-CB 3.26Å; A56-M60 WeakPolarHBondContact O-CE 3.13Å; A56-M60 VanDerWaalsContact O-CG 3.27Å; A56-M60 WeakPolarHBondContact O-CG 3.47Å; A56-M60 PolarHBondContact O-N 3.43Å; A56-V215 HydrophobicContact CB-CG1 4.21Å; A56-V215 HydrophobicContact CB-CG2 4.01Å |
| 57 | V | 91.2 | Very high | 89.6 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111 | I53 V54 V59 W61 A62 | I53-V57 WeakPolarHBondContact O-CG2 3.23Å; I53-V57 PolarHBondContact O-N 3.48Å; V54-V57 PolarHBondContact O-N 3.16Å; V57-V59 PolarHBondContact O-N 2.83Å; V57-W61 HydrophobicContact CG1-CE3 4.2Å; V57-W61 PolarHBondContact O-N 2.93Å; V57-A62 PolarHBondContact O-N 2.9Å |
| 58 | N | 90.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.193 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -61.9 | -45.1 | 178 | -172.5 | -97.8 | 0 | 0 | 0 | 111.9 | L6 V54 A55 A56 A62 G63 | L6-N58 HydrophobicContact CD1-CB 4.46Å; V54-N58 WeakPolarHBondContact O-CB 3.2Å; V54-N58 PolarHBondContact O-N 2.83Å; A55-N58 WeakPolarHBondContact O-CB 3.21Å; A55-N58 PolarHBondContact O-N 3.22Å; A56-N58 VanDerWaalsContact C-N 3.32Å; A56-N58 PolarHBondContact O-N 2.78Å; N58-A62 CarbonylContact O-C 3.59Å; N58-A62 PolarHBondContact O-N 3.47Å; N58-G63 PolarHBondContact O-N 2.9Å |
| 59 | V | 87.1 | Confident | 88.4 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -73 | -36.1 | -177.2 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | Q3 A55 A56 V57 R211 L214 | Q3-V59 HydrophobicContact CG-CG2 4.22Å; A55-V59 WeakPolarHBondContact O-CB 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.25Å; A55-V59 WeakPolarHBondContact O-CG2 2.94Å; A55-V59 PolarHBondContact O-N 2.85Å; A56-V59 PolarHBondContact O-N 3.49Å; V57-V59 PolarHBondContact O-N 2.83Å; V59-R211 HydrophobicContact CG1-CB 3.35Å; V59-R211 HydrophobicContact CG1-CG 3.45Å; V59-R211 VanDerWaalsContact CG1-CG 3.45Å; V59-L214 HydrophobicContact CG2-CD1 4.26Å |
| 60 | M | 85 | Confident | 87.7 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -80.7 | -37.1 | -177 | -70.4 | -172.7 | -65.8 | 0 | 0 | 113.7 | A56 | A56-M60 HydrophobicContact CB-CE 4.07Å; A56-M60 WeakPolarHBondContact O-CB 3.26Å; A56-M60 WeakPolarHBondContact O-CE 3.13Å; A56-M60 VanDerWaalsContact O-CG 3.27Å; A56-M60 WeakPolarHBondContact O-CG 3.47Å; A56-M60 PolarHBondContact O-N 3.43Å |
| 61 | W | 84.8 | Confident | 86.8 | Confident | 180 Ų | 180 | 60.6 Ų | 60.6 | 68% | 0.682 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -119.9 | -54.4 | -173.4 | -65.4 | -21.1 | 0 | 0 | 0 | 113.2 | V57 G63 W65 | V57-W61 HydrophobicContact CG1-CE3 4.2Å; V57-W61 PolarHBondContact O-N 2.93Å; W61-G63 PolarHBondContact O-N 3.44Å; W61-W65 WeakPolarHBondContact O-CB 3.29Å; W61-W65 PolarHBondContact O-N 3.45Å; W61-W65 VanDerWaalsContact O-N 3.13Å |
| 62 | A | 85.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -67.3 | -37 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V57 N58 S66 | V57-A62 PolarHBondContact O-N 2.9Å; N58-A62 CarbonylContact O-C 3.59Å; N58-A62 PolarHBondContact O-N 3.47Å; A62-S66 WeakPolarHBondContact O-CB 3.26Å; A62-S66 PolarHBondContact O-N 2.66Å |
| 63 | G | 84.5 | Confident | 85.5 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -64.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N58 W61 W65 S66 S67 | N58-G63 PolarHBondContact O-N 2.9Å; W61-G63 PolarHBondContact O-N 3.44Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 2.82Å; G63-S66 PolarHBondContact O-N 2.74Å; G63-S67 PolarHBondContact O-N 3.18Å; G63-S67 PolarHBondContact O-OG 2.91Å |
| 64 | P | 82.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.1 | -38.1 | -179.4 | -28 | 37 | 0 | 0 | 0 | 113.7 | R68 | P64-R68 WeakPolarHBondContact O-CB 3.44Å; P64-R68 VanDerWaalsContact O-CG 3.31Å; P64-R68 WeakPolarHBondContact O-CG 3.22Å; P64-R68 PolarHBondContact O-N 3.4Å; P64-R68 PolarHBondContact O-NE 2.92Å |
| 65 | W | 83.4 | Confident | 83.6 | Confident | 172 Ų | 172 | 63.8 Ų | 63.8 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | 177.3 | 179.3 | 78.2 | 0 | 0 | 0 | 111.8 | W61 G63 H69 | W61-W65 WeakPolarHBondContact O-CB 3.29Å; W61-W65 PolarHBondContact O-N 3.45Å; W61-W65 VanDerWaalsContact O-N 3.13Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 2.82Å; W65-H69 PolarHBondContact O-N 3.09Å; W65-H69 VanDerWaalsContact O-N 3.09Å |
| 66 | S | 85.4 | Confident | 82.6 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | A62 G63 Q70 | A62-S66 WeakPolarHBondContact O-CB 3.26Å; A62-S66 PolarHBondContact O-N 2.66Å; G63-S66 PolarHBondContact O-N 2.74Å; S66-Q70 VanDerWaalsContact O-CB 3.26Å; S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 2.64Å |
| 67 | S | 82.9 | Confident | 81.5 | Confident | 32 Ų | 32 | 71 Ų | 71 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | G63 H69 Q70 D71 | G63-S67 PolarHBondContact O-N 3.18Å; G63-S67 PolarHBondContact O-OG 2.91Å; S67-H69 VanDerWaalsContact C-N 3.31Å; S67-H69 PolarHBondContact O-N 2.99Å; S67-Q70 PolarHBondContact O-N 3.15Å; S67-D71 PolarHBondContact O-N 3.02Å |
| 68 | R | 81.3 | Confident | 80.2 | Confident | 110 Ų | 110 | 74 Ų | 74 | 42% | 0.415 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 176.4 | -78.1 | -173.2 | -76.5 | 174.4 | -16.8 | 112.4 | P64 D71 E72 Q190 D192 | P64-R68 WeakPolarHBondContact O-CB 3.44Å; P64-R68 VanDerWaalsContact O-CG 3.31Å; P64-R68 WeakPolarHBondContact O-CG 3.22Å; P64-R68 PolarHBondContact O-N 3.4Å; P64-R68 PolarHBondContact O-NE 2.92Å; R68-D71 PolarHBondContact O-N 2.96Å; R68-E72 WeakPolarHBondContact O-CB 3.3Å; R68-E72 PolarHBondContact O-N 3.18Å; R68-Q190 HydrophobicContact CG-CB 4Å; R68-Q190 HydrophobicContact CG-CG 4.41Å; R68-D192 IonicContact CZ-OD1 3.96Å; R68-D192 IonicContact NH2-OD1 2.81Å; R68-D192 PolarHBondContact NH2-OD1 3.33Å; R68-D192 IonicContact NH2-OD2 2.95Å |
| 69 | H | 84.2 | Confident | 78.8 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 179.1 | -169.5 | 59.4 | 0 | 0 | 0 | 112.4 | W65 S67 D71 E72 V73 | W65-H69 PolarHBondContact O-N 3.09Å; W65-H69 VanDerWaalsContact O-N 3.09Å; S67-H69 VanDerWaalsContact C-N 3.31Å; S67-H69 PolarHBondContact O-N 2.99Å; H69-D71 VanDerWaalsContact C-N 3.3Å; H69-D71 PolarHBondContact O-N 3.02Å; H69-E72 IonicContact ND1-OE2 2.97Å; H69-E72 PolarHBondContact O-N 3.19Å; H69-V73 WeakPolarHBondContact O-CB 3.14Å; H69-V73 VanDerWaalsContact O-CG2 3.26Å; H69-V73 WeakPolarHBondContact O-CG2 3.31Å; H69-V73 PolarHBondContact O-N 3.28Å |
| 70 | Q | 81.8 | Confident | 77.5 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.6 | 177.8 | 179.2 | -15.7 | 0 | 0 | 111.1 | S66 S67 V73 L74 | S66-Q70 VanDerWaalsContact O-CB 3.26Å; S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 2.64Å; S67-Q70 PolarHBondContact O-N 3.15Å; Q70-V73 PolarHBondContact O-N 3.13Å; Q70-L74 HydrophobicContact CG-CD1 3.83Å; Q70-L74 HydrophobicContact CG-CG 4.36Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.4Å; Q70-L74 PolarHBondContact O-N 3.41Å |
| 71 | D | 75.9 | Confident | 76.2 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72.9 | -33.8 | -179.1 | -67.5 | -39.3 | 0 | 0 | 0 | 112.4 | S67 R68 H69 L74 A75 L183 Q190 | S67-D71 PolarHBondContact O-N 3.02Å; R68-D71 PolarHBondContact O-N 2.96Å; H69-D71 VanDerWaalsContact C-N 3.3Å; H69-D71 PolarHBondContact O-N 3.02Å; D71-L74 PolarHBondContact O-N 2.77Å; D71-A75 WeakPolarHBondContact O-CB 2.97Å; D71-A75 PolarHBondContact O-N 2.97Å; D71-L183 HydrophobicContact CB-CD2 3.82Å; D71-Q190 VanDerWaalsContact OD2-CD 3.28Å; D71-Q190 WeakPolarHBondContact OD2-CG 3.44Å; D71-Q190 PolarHBondContact OD2-NE2 2.92Å |
| 72 | E | 79.2 | Confident | 74.6 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 169.3 | -177.3 | 177.5 | -156.7 | 0 | 0 | 111.4 | R68 H69 L74 A75 E76 | R68-E72 WeakPolarHBondContact O-CB 3.3Å; R68-E72 PolarHBondContact O-N 3.18Å; H69-E72 IonicContact ND1-OE2 2.97Å; H69-E72 PolarHBondContact O-N 3.19Å; E72-L74 PolarHBondContact O-N 2.91Å; E72-A75 PolarHBondContact O-N 3.4Å; E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 3.16Å |
| 73 | V | 80.4 | Confident | 72.9 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | H69 Q70 E76 A77 | H69-V73 WeakPolarHBondContact O-CB 3.14Å; H69-V73 VanDerWaalsContact O-CG2 3.26Å; H69-V73 WeakPolarHBondContact O-CG2 3.31Å; H69-V73 PolarHBondContact O-N 3.28Å; Q70-V73 PolarHBondContact O-N 3.13Å; V73-E76 PolarHBondContact O-N 3.1Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.22Å; V73-A77 PolarHBondContact O-N 3.41Å |
| 74 | L | 77 | Confident | 71.3 | Confident | 71 Ų | 71 | 74 Ų | 74 | 37% | 0.372 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 174.9 | -76 | 172 | 0 | 0 | 0 | 111.9 | Q70 D71 E72 K78 | Q70-L74 HydrophobicContact CG-CD1 3.83Å; Q70-L74 HydrophobicContact CG-CG 4.36Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.4Å; Q70-L74 PolarHBondContact O-N 3.41Å; D71-L74 PolarHBondContact O-N 2.77Å; E72-L74 PolarHBondContact O-N 2.91Å; L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 WeakPolarHBondContact O-CG 3.13Å; L74-K78 PolarHBondContact O-N 3.24Å |
| 75 | A | 70.7 | Confident | 70 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 20% | 0.198 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D71 E72 K78 A79 V181 | D71-A75 WeakPolarHBondContact O-CB 2.97Å; D71-A75 PolarHBondContact O-N 2.97Å; E72-A75 PolarHBondContact O-N 3.4Å; A75-K78 CarbonylContact O-C 3.6Å; A75-K78 PolarHBondContact O-N 3.33Å; A75-A79 VanDerWaalsContact O-CB 3.22Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 3.41Å; A75-V181 HydrophobicContact CB-CB 4.42Å |
| 76 | E | 70.5 | Confident | 68.9 | Low | 124 Ų | 124 | 70.3 Ų | 70.3 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 173.9 | -171.6 | 175.3 | -169.9 | 0 | 0 | 111.3 | E72 V73 K78 A79 N80 | E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 3.16Å; V73-E76 PolarHBondContact O-N 3.1Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.89Å; E76-A79 PolarHBondContact O-N 2.84Å; E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.78Å |
| 77 | A | 68.4 | Low | 67.7 | Low | 55 Ų | 55 | 69.1 Ų | 69.1 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V73 N80 P81 | V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.22Å; V73-A77 PolarHBondContact O-N 3.41Å; A77-N80 CarbonylContact O-C 3.58Å; A77-P81 WeakPolarHBondContact O-CA 3.39Å |
| 78 | K | 63.8 | Low | 67.3 | Low | 126 Ų | 126 | 73.2 Ų | 73.2 | 55% | 0.548 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -87.5 | -22.1 | 173 | -76.9 | 175.4 | 178 | 178.4 | 0 | 113.1 | L74 A75 E76 P81 V181 | L74-K78 WeakPolarHBondContact O-CB 3.39Å; L74-K78 WeakPolarHBondContact O-CG 3.13Å; L74-K78 PolarHBondContact O-N 3.24Å; A75-K78 CarbonylContact O-C 3.6Å; A75-K78 PolarHBondContact O-N 3.33Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.89Å; K78-P81 WeakPolarHBondContact O-CD 3.1Å; K78-P81 WeakPolarHBondContact O-CG 3.07Å; K78-V181 HydrophobicContact CB-CG2 4.01Å; K78-V181 HydrophobicContact CD-CG2 3.53Å; K78-V181 HydrophobicContact CG-CG2 4.46Å |
| 79 | A | 60.5 | Low | 67.1 | Low | 23 Ų | 23 | 70.1 Ų | 70.1 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -77.7 | -37.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A75 E76 P81 Q139 | A75-A79 VanDerWaalsContact O-CB 3.22Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 3.41Å; E76-A79 PolarHBondContact O-N 2.84Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å; A79-Q139 PolarHBondContact O-NE2 3.09Å |
| 80 | N | 60.9 | Low | 66.8 | Low | 88 Ų | 88 | 71.5 Ų | 71.5 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -104.4 | 57.5 | 164.3 | -73.9 | -15.2 | 0 | 0 | 0 | 110.8 | E76 A77 G82 Q139 | E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.78Å; A77-N80 CarbonylContact O-C 3.58Å; N80-G82 VanDerWaalsContact C-N 3.26Å; N80-G82 PolarHBondContact O-N 3.42Å; N80-Q139 PolarHBondContact OD1-NE2 3.44Å; N80-Q139 PolarHBondContact OD1-OE1 3.42Å |
| 81 | P | 55.9 | Low | 66.8 | Low | 41 Ų | 41 | 72.7 Ų | 72.7 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | trans | -65.3 | 106.8 | 166.6 | 28.7 | -18.5 | 0 | 0 | 0 | 103.2 | A77 K78 A79 M83 A85 Q145 | A77-P81 WeakPolarHBondContact O-CA 3.39Å; K78-P81 WeakPolarHBondContact O-CD 3.1Å; K78-P81 WeakPolarHBondContact O-CG 3.07Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-M83 PolarHBondContact O-N 3.13Å; P81-A85 HydrophobicContact CB-CB 3.84Å; P81-Q145 VanDerWaalsContact CG-NE2 3.33Å | ||
| 82 | G | 51.4 | Low | 66.7 | Low | 51 Ų | 51 | 74.1 Ų | 74.1 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | trans | -45.6 | 142.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | N80 A84 A85 | N80-G82 VanDerWaalsContact C-N 3.26Å; N80-G82 PolarHBondContact O-N 3.42Å; G82-A84 CarbonylContact O-C 3.48Å; G82-A84 WeakPolarHBondContact O-CA 3.39Å; G82-A84 PolarHBondContact O-N 3.07Å; G82-A85 PolarHBondContact O-N 3.09Å | ||
| 83 | M | 50.3 | Low | 66.4 | Low | 48 Ų | 48 | 75.5 Ų | 75.5 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -38.2 | -24.4 | 179.3 | -68.8 | -82.4 | -175.3 | 0 | 0 | 114.3 | P81 A85 L86 G108 S109 F111 L137 | P81-M83 PolarHBondContact O-N 3.13Å; M83-A85 PolarHBondContact O-N 3.49Å; M83-A85 VanDerWaalsContact O-N 3.15Å; M83-L86 PolarHBondContact O-N 2.77Å; M83-G108 WeakPolarHBondContact CB-O 3.32Å; M83-G108 WeakPolarHBondContact CG-O 3.38Å; M83-S109 VanDerWaalsContact CE-OG 3.24Å; M83-S109 WeakPolarHBondContact CE-OG 3.22Å; M83-F111 HydrophobicContact SD-CE1 4.09Å; M83-F111 HydrophobicContact SD-CZ 3.99Å; M83-L137 HydrophobicContact CE-CB 3.72Å; M83-L137 HydrophobicContact CE-CD2 4.1Å; M83-L137 HydrophobicContact CE-CG 4.29Å; M83-L137 WeakPolarHBondContact CE-O 3.5Å; M83-L137 HydrophobicContact SD-CB 3.94Å; M83-L137 HydrophobicContact SD-CD2 3.78Å; M83-L137 HydrophobicContact SD-CG 4.44Å |
| 84 | A | 50.6 | Low | 65.8 | Low | 99 Ų | 99 | 74.1 Ų | 74.1 | 82% | 0.818 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -51.3 | -17.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | G82 L86 | G82-A84 CarbonylContact O-C 3.48Å; G82-A84 WeakPolarHBondContact O-CA 3.39Å; G82-A84 PolarHBondContact O-N 3.07Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.05Å |
| 85 | A | 55.4 | Low | 64.9 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -74 | -19.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | P81 G82 M83 A87 Q92 | P81-A85 HydrophobicContact CB-CB 3.84Å; G82-A85 PolarHBondContact O-N 3.09Å; M83-A85 PolarHBondContact O-N 3.49Å; M83-A85 VanDerWaalsContact O-N 3.15Å; A85-A87 PolarHBondContact O-N 2.77Å; A85-Q92 PolarHBondContact O-NE2 3.26Å |
| 86 | L | 60.8 | Low | 64.6 | Low | 40 Ų | 40 | 79.5 Ų | 79.5 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -85.9 | 85.8 | 170.9 | -64.4 | 174.7 | 0 | 0 | 0 | 108.6 | M83 A84 Q88 L101 I103 F111 | M83-L86 PolarHBondContact O-N 2.77Å; A84-L86 VanDerWaalsContact C-N 3.28Å; A84-L86 PolarHBondContact O-N 3.05Å; L86-Q88 PolarHBondContact O-N 3.25Å; L86-L101 HydrophobicContact CD1-CD2 4.44Å; L86-L101 HydrophobicContact CD2-CD2 3.93Å; L86-I103 HydrophobicContact CB-CD1 4.15Å; L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CG-CD1 4.35Å; L86-F111 HydrophobicContact CD1-CE1 3.95Å; L86-F111 HydrophobicContact CD1-CE2 4.29Å; L86-F111 HydrophobicContact CD1-CZ 3.59Å |
| 87 | A | 60.1 | Low | 64.5 | Low | 36 Ų | 36 | 75.4 Ų | 75.4 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | trans | -50.4 | 106.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A85 G89 Q90 | A85-A87 PolarHBondContact O-N 2.77Å; A87-G89 PolarHBondContact O-N 3.06Å; A87-Q90 HydrophobicContact CB-CB 4.13Å; A87-Q90 HydrophobicContact CB-CG 4.27Å; A87-Q90 PolarHBondContact O-N 3.19Å | ||
| 88 | Q | 73.6 | Confident | 64.8 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 132.6 | 174.8 | -174.6 | -177.6 | -1.4 | 0 | 0 | 110.5 | L86 Q90 E104 | L86-Q88 PolarHBondContact O-N 3.25Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.2Å; Q88-E104 WeakPolarHBondContact CG-O 3.46Å; Q88-E104 PolarHBondContact NE2-O 3.46Å |
| 89 | G | 77.1 | Confident | 65.4 | Low | 44 Ų | 44 | 69.1 Ų | 69.1 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 11.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A87 I103 | A87-G89 PolarHBondContact O-N 3.06Å; G89-I103 PolarHBondContact N-O 3.38Å |
| 90 | Q | 79 | Confident | 66.4 | Low | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | trans | -117 | 139.3 | 175.7 | -63.7 | -173.7 | -5.7 | 0 | 0 | 111.8 | A87 Q88 Q92 | A87-Q90 HydrophobicContact CB-CB 4.13Å; A87-Q90 HydrophobicContact CB-CG 4.27Å; A87-Q90 PolarHBondContact O-N 3.19Å; Q88-Q90 VanDerWaalsContact C-N 3.27Å; Q88-Q90 PolarHBondContact O-N 3.2Å; Q90-Q92 PolarHBondContact O-N 2.91Å | ||
| 91 | F | 80.7 | Confident | 67.4 | Low | 137 Ų | 137 | 66.2 Ų | 66.2 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | trans | -75.1 | 109.3 | 170.8 | -69.1 | -83.3 | 0 | 0 | 0 | 109.7 | V100 F102 F115 | F91-V100 HydrophobicContact CB-CG1 3.88Å; F91-V100 HydrophobicContact CD1-CG1 3.91Å; F91-V100 HydrophobicContact CG-CG1 4.37Å; F91-F102 HydrophobicContact CD1-CB 3.56Å; F91-F102 AromaticContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CG 4.06Å; F91-F102 AromaticContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CE1-CB 3.57Å; F91-F102 AromaticContact CE1-CD2 3.77Å; F91-F102 HydrophobicContact CE1-CD2 3.77Å; F91-F102 AromaticContact CE1-CG 3.76Å; F91-F102 HydrophobicContact CE1-CG 3.76Å; F91-F102 AromaticContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CE2 4.13Å; F91-F102 HydrophobicContact CG-CB 4.33Å; F91-F102 HydrophobicContact CG-CD2 4Å; F91-F102 HydrophobicContact CZ-CB 4.35Å; F91-F102 AromaticContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CE2 4.21Å; F91-F102 HydrophobicContact CZ-CG 4.05Å; F91-F115 HydrophobicContact CE1-CD1 4.22Å; F91-F115 HydrophobicContact CE1-CE1 4.45Å | ||
| 92 | Q | 75 | Confident | 68.8 | Low | 67 Ų | 67 | 66.2 Ų | 66.2 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.2 | 176.1 | -65.5 | -154 | 35.7 | 0 | 0 | 111.2 | A85 Q90 V100 L101 | A85-Q92 PolarHBondContact O-NE2 3.26Å; Q90-Q92 PolarHBondContact O-N 2.91Å; Q92-V100 CarbonylContact O-C 3.54Å; Q92-V100 WeakPolarHBondContact O-CA 3.46Å; Q92-L101 PolarHBondContact N-O 2.88Å; Q92-L101 PolarHBondContact O-N 3.26Å |
| 93 | Q | 73.3 | Confident | 70.4 | Confident | 147 Ų | 147 | 64.1 Ų | 64.1 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.1 | 171.6 | -66.9 | -177.1 | 14.9 | 0 | 0 | 109.4 | V100 | Q93-V100 HydrophobicContact CG-CG2 4.19Å |
| 94 | A | 66.9 | Low | 72.1 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N96 G97 S99 | A94-N96 WeakPolarHBondContact CB-OD1 3.25Å; A94-N96 PolarHBondContact O-N 2.87Å; A94-G97 PolarHBondContact O-N 3.44Å; A94-S99 WeakPolarHBondContact CB-OG 3.28Å; A94-S99 PolarHBondContact N-O 3.46Å |
| 95 | T | 59.3 | Low | 73.5 | Confident | 118 Ų | 118 | 64 Ų | 64 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -26.7 | -177.3 | -35.6 | 0 | 0 | 0 | 0 | 113.9 | G97 Q179 | T95-G97 VanDerWaalsContact C-N 3.34Å; T95-Q179 PolarHBondContact OG1-NE2 2.62Å; T95-Q179 VanDerWaalsContact OG1-NE2 3.16Å; T95-Q179 PolarHBondContact OG1-OE1 2.97Å |
| 96 | N | 63.6 | Low | 74.7 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.7 | 179.3 | 60.3 | 16.9 | 0 | 0 | 0 | 114.2 | A94 S98 | A94-N96 WeakPolarHBondContact CB-OD1 3.25Å; A94-N96 PolarHBondContact O-N 2.87Å; N96-S98 PolarHBondContact ND2-OG 2.95Å; N96-S98 VanDerWaalsContact ND2-OG 3.16Å; N96-S98 PolarHBondContact O-N 2.96Å; N96-S98 PolarHBondContact OD1-N 3.29Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.3Å |
| 97 | G | 68.9 | Low | 75.5 | Confident | 38 Ų | 38 | 67 Ų | 67 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 61.4 | 7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | A94 T95 | A94-G97 PolarHBondContact O-N 3.44Å; T95-G97 VanDerWaalsContact C-N 3.34Å |
| 98 | S | 74.2 | Confident | 76.2 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -90.8 | -19.8 | -176.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | N96 Q118 I119 R120 | N96-S98 PolarHBondContact ND2-OG 2.95Å; N96-S98 VanDerWaalsContact ND2-OG 3.16Å; N96-S98 PolarHBondContact O-N 2.96Å; N96-S98 PolarHBondContact OD1-N 3.29Å; N96-S98 VanDerWaalsContact OD1-N 3.13Å; N96-S98 PolarHBondContact OD1-OG 3.3Å; S98-Q118 CarbonylContact O-C 3.05Å; S98-Q118 VanDerWaalsContact O-CA 3.31Å; S98-Q118 WeakPolarHBondContact O-CA 3.38Å; S98-I119 PolarHBondContact O-N 3.13Å; S98-R120 VanDerWaalsContact CB-O 3.24Å; S98-R120 WeakPolarHBondContact CB-O 3.39Å; S98-R120 PolarHBondContact O-N 3.26Å |
| 99 | S | 75.9 | Confident | 76.2 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.1 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | A94 A117 | A94-S99 WeakPolarHBondContact CB-OG 3.28Å; A94-S99 PolarHBondContact N-O 3.46Å; S99-A117 CarbonylContact C-O 3.58Å; S99-A117 VanDerWaalsContact CA-O 3.24Å; S99-A117 WeakPolarHBondContact CA-O 3.37Å |
| 100 | V | 82.8 | Confident | 76.5 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.6 | 171.8 | -170.1 | 0 | 0 | 0 | 0 | 107.6 | F91 Q92 Q93 L116 A117 I119 | F91-V100 HydrophobicContact CB-CG1 3.88Å; F91-V100 HydrophobicContact CD1-CG1 3.91Å; F91-V100 HydrophobicContact CG-CG1 4.37Å; Q92-V100 CarbonylContact O-C 3.54Å; Q92-V100 WeakPolarHBondContact O-CA 3.46Å; Q93-V100 HydrophobicContact CG-CG2 4.19Å; V100-L116 CarbonylContact O-C 3.53Å; V100-L116 WeakPolarHBondContact O-CA 3.25Å; V100-A117 HydrophobicContact CB-CB 4.48Å; V100-A117 PolarHBondContact N-O 2.79Å; V100-A117 PolarHBondContact O-N 2.69Å; V100-I119 HydrophobicContact CG2-CD1 4.12Å |
| 101 | L | 81.6 | Confident | 76.7 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.7 | 175.2 | 179.3 | 64.6 | 0 | 0 | 0 | 109 | L86 Q92 I103 V114 F115 L116 | L86-L101 HydrophobicContact CD1-CD2 4.44Å; L86-L101 HydrophobicContact CD2-CD2 3.93Å; Q92-L101 PolarHBondContact N-O 2.88Å; Q92-L101 PolarHBondContact O-N 3.26Å; L101-I103 HydrophobicContact CD1-CG1 4.32Å; L101-I103 HydrophobicContact CD2-CD1 4.08Å; L101-I103 HydrophobicContact CG-CD1 4.26Å; L101-I103 HydrophobicContact CG-CG1 4.26Å; L101-V114 HydrophobicContact CD1-CG1 3.67Å; L101-F115 CarbonylContact C-O 3.55Å; L101-F115 WeakPolarHBondContact CA-O 3.25Å; L101-L116 HydrophobicContact CD1-CB 4.23Å; L101-L116 HydrophobicContact CD1-CD1 4.43Å |
| 102 | F | 85.5 | Confident | 76.9 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.1 | 172.8 | 172.8 | -86.7 | 0 | 0 | 0 | 108.8 | F91 E104 F115 | F91-F102 HydrophobicContact CD1-CB 3.56Å; F91-F102 AromaticContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CD2 3.92Å; F91-F102 HydrophobicContact CD1-CG 4.06Å; F91-F102 AromaticContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CD2-CD2 3.98Å; F91-F102 HydrophobicContact CE1-CB 3.57Å; F91-F102 AromaticContact CE1-CD2 3.77Å; F91-F102 HydrophobicContact CE1-CD2 3.77Å; F91-F102 AromaticContact CE1-CG 3.76Å; F91-F102 HydrophobicContact CE1-CG 3.76Å; F91-F102 AromaticContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CD2 3.84Å; F91-F102 HydrophobicContact CE2-CE2 4.13Å; F91-F102 HydrophobicContact CG-CB 4.33Å; F91-F102 HydrophobicContact CG-CD2 4Å; F91-F102 HydrophobicContact CZ-CB 4.35Å; F91-F102 AromaticContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CD2 3.72Å; F91-F102 HydrophobicContact CZ-CE2 4.21Å; F91-F102 HydrophobicContact CZ-CG 4.05Å; F102-E104 HydrophobicContact CE1-CB 4.13Å; F102-F115 HydrophobicContact CB-CB 4.19Å; F102-F115 HydrophobicContact CB-CD1 4.37Å; F102-F115 HydrophobicContact CD1-CB 4.29Å; F102-F115 PolarHBondContact N-O 3.1Å; F102-F115 PolarHBondContact O-N 3.41Å |
| 103 | I | 84 | Confident | 77.6 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122 | 179.7 | -60.8 | 167.5 | 0 | 0 | 0 | 107.1 | L86 G89 L101 S105 V106 F111 V114 | L86-I103 HydrophobicContact CB-CD1 4.15Å; L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CG-CD1 4.35Å; G89-I103 PolarHBondContact N-O 3.38Å; L101-I103 HydrophobicContact CD1-CG1 4.32Å; L101-I103 HydrophobicContact CD2-CD1 4.08Å; L101-I103 HydrophobicContact CG-CD1 4.26Å; L101-I103 HydrophobicContact CG-CG1 4.26Å; I103-S105 VanDerWaalsContact CG2-O 3.31Å; I103-S105 WeakPolarHBondContact CG2-O 3.39Å; I103-V106 HydrophobicContact CG2-CG2 3.71Å; I103-F111 HydrophobicContact CD1-CD1 3.96Å; I103-F111 HydrophobicContact CD1-CD2 4.2Å; I103-F111 HydrophobicContact CD1-CE1 4.19Å; I103-F111 HydrophobicContact CD1-CE2 4.4Å; I103-F111 HydrophobicContact CD1-CG 3.97Å; I103-F111 HydrophobicContact CD1-CZ 4.4Å; I103-F111 HydrophobicContact CG2-CB 3.83Å; I103-F111 HydrophobicContact CG2-CD1 4.14Å; I103-F111 HydrophobicContact CG2-CG 4.21Å; I103-V114 HydrophobicContact CG1-CG1 4.32Å; I103-V114 HydrophobicContact CG1-CG2 4.4Å |
| 104 | E | 85.5 | Confident | 78.2 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -42.8 | -177.7 | -174.4 | 170.9 | 166 | 0 | 0 | 112.3 | Q88 F102 K112 D113 | Q88-E104 WeakPolarHBondContact CG-O 3.46Å; Q88-E104 PolarHBondContact NE2-O 3.46Å; F102-E104 HydrophobicContact CE1-CB 4.13Å; E104-K112 PolarHBondContact N-O 2.91Å; E104-D113 HydrophobicContact CB-CB 3.89Å; E104-D113 PolarHBondContact N-O 2.97Å |
| 105 | S | 81.3 | Confident | 79.3 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.5 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | I103 F111 K112 | I103-S105 VanDerWaalsContact CG2-O 3.31Å; I103-S105 WeakPolarHBondContact CG2-O 3.39Å; S105-F111 WeakPolarHBondContact O-CA 3.4Å; S105-K112 PolarHBondContact N-O 2.86Å; S105-K112 PolarHBondContact O-N 3.47Å; S105-K112 WeakPolarHBondContact OG-CB 3.27Å |
| 106 | V | 79.9 | Confident | 80.6 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.1 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | I103 D110 F111 | I103-V106 HydrophobicContact CG2-CG2 3.71Å; V106-D110 WeakPolarHBondContact CA-O 3.36Å; V106-F111 HydrophobicContact CB-CD1 4.38Å; V106-F111 HydrophobicContact CG1-CD1 3.99Å; V106-F111 HydrophobicContact CG1-CE1 3.95Å; V106-F111 HydrophobicContact CG2-CD1 3.95Å; V106-F111 HydrophobicContact CG2-CE1 4.31Å |
| 107 | D | 77.3 | Confident | 81.7 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 90.5 | 174.2 | -164 | 5.3 | 0 | 0 | 0 | 108.7 | S109 D110 | D107-S109 PolarHBondContact O-N 3.35Å; D107-D110 PolarHBondContact N-O 2.94Å; D107-D110 PolarHBondContact O-N 3.49Å; D107-D110 VanDerWaalsContact O-N 3.09Å |
| 108 | G | 74.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -108.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M83 | M83-G108 WeakPolarHBondContact CB-O 3.32Å; M83-G108 WeakPolarHBondContact CG-O 3.38Å |
| 109 | S | 75.1 | Confident | 82.5 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -6.8 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 115.1 | M83 D107 H136 L137 | M83-S109 VanDerWaalsContact CE-OG 3.24Å; M83-S109 WeakPolarHBondContact CE-OG 3.22Å; D107-S109 PolarHBondContact O-N 3.35Å; S109-H136 WeakPolarHBondContact CB-CE1 3.29Å; S109-H136 PolarHBondContact O-ND1 2.95Å; S109-L137 PolarHBondContact O-N 2.85Å |
| 110 | D | 82.9 | Confident | 82.3 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 139.4 | -175.5 | -61.5 | -48.8 | 0 | 0 | 0 | 110.3 | V106 D107 G135 H136 | V106-D110 WeakPolarHBondContact CA-O 3.36Å; D107-D110 PolarHBondContact N-O 2.94Å; D107-D110 PolarHBondContact O-N 3.49Å; D107-D110 VanDerWaalsContact O-N 3.09Å; D110-G135 CarbonylContact C-O 3.55Å; D110-G135 WeakPolarHBondContact CA-O 2.88Å; D110-H136 IonicContact OD1-CE1 3.62Å; D110-H136 IonicContact OD1-CG 3.66Å; D110-H136 IonicContact OD1-ND1 2.7Å; D110-H136 PolarHBondContact OD1-ND1 3.28Å |
| 111 | F | 83.2 | Confident | 81.4 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.7 | 176.5 | -49.6 | -46 | 0 | 0 | 0 | 108.8 | M83 L86 I103 S105 V106 V114 S134 G135 L137 | M83-F111 HydrophobicContact SD-CE1 4.09Å; M83-F111 HydrophobicContact SD-CZ 3.99Å; L86-F111 HydrophobicContact CD1-CE1 3.95Å; L86-F111 HydrophobicContact CD1-CE2 4.29Å; L86-F111 HydrophobicContact CD1-CZ 3.59Å; I103-F111 HydrophobicContact CD1-CD1 3.96Å; I103-F111 HydrophobicContact CD1-CD2 4.2Å; I103-F111 HydrophobicContact CD1-CE1 4.19Å; I103-F111 HydrophobicContact CD1-CE2 4.4Å; I103-F111 HydrophobicContact CD1-CG 3.97Å; I103-F111 HydrophobicContact CD1-CZ 4.4Å; I103-F111 HydrophobicContact CG2-CB 3.83Å; I103-F111 HydrophobicContact CG2-CD1 4.14Å; I103-F111 HydrophobicContact CG2-CG 4.21Å; S105-F111 WeakPolarHBondContact O-CA 3.4Å; V106-F111 HydrophobicContact CB-CD1 4.38Å; V106-F111 HydrophobicContact CG1-CD1 3.99Å; V106-F111 HydrophobicContact CG1-CE1 3.95Å; V106-F111 HydrophobicContact CG2-CD1 3.95Å; V106-F111 HydrophobicContact CG2-CE1 4.31Å; F111-V114 HydrophobicContact CB-CG2 3.61Å; F111-S134 CarbonylContact O-C 3.56Å; F111-S134 VanDerWaalsContact O-CA 3.23Å; F111-S134 WeakPolarHBondContact O-CA 3.29Å; F111-G135 PolarHBondContact N-O 2.96Å; F111-G135 PolarHBondContact O-N 3.3Å; F111-L137 HydrophobicContact CE2-CB 3.62Å; F111-L137 HydrophobicContact CZ-CB 3.56Å; F111-L137 HydrophobicContact CZ-CD2 4.3Å; F111-L137 HydrophobicContact CZ-CG 4.45Å |
| 112 | K | 85.9 | Confident | 80.6 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.7 | 167.5 | -53.6 | 179.1 | 179.4 | 172.9 | 0 | 109.9 | E104 S105 D133 | E104-K112 PolarHBondContact N-O 2.91Å; S105-K112 PolarHBondContact N-O 2.86Å; S105-K112 PolarHBondContact O-N 3.47Å; S105-K112 WeakPolarHBondContact OG-CB 3.27Å; K112-D133 WeakPolarHBondContact CA-O 3.39Å |
| 113 | D | 88.4 | Confident | 79.7 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 70.4 | 178.8 | -55.3 | -62.7 | 0 | 0 | 0 | 111.5 | E104 D133 | E104-D113 HydrophobicContact CB-CB 3.89Å; E104-D113 PolarHBondContact N-O 2.97Å; D113-D133 PolarHBondContact N-O 2.87Å |
| 114 | V | 86.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.2 | -178.6 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | L101 I103 F111 V131 A132 L149 | L101-V114 HydrophobicContact CD1-CG1 3.67Å; I103-V114 HydrophobicContact CG1-CG1 4.32Å; I103-V114 HydrophobicContact CG1-CG2 4.4Å; F111-V114 HydrophobicContact CB-CG2 3.61Å; V114-V131 WeakPolarHBondContact O-CA 3.41Å; V114-A132 PolarHBondContact N-O 2.96Å; V114-A132 PolarHBondContact O-N 3.12Å; V114-L149 HydrophobicContact CB-CD2 3.89Å; V114-L149 HydrophobicContact CG1-CD2 3.75Å; V114-L149 HydrophobicContact CG2-CD2 3.99Å |
| 115 | F | 88.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 31% | 0.307 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.2 | 173.9 | 176.7 | -87.7 | 0 | 0 | 0 | 109.8 | F91 L101 F102 A117 V129 V131 | F91-F115 HydrophobicContact CE1-CD1 4.22Å; F91-F115 HydrophobicContact CE1-CE1 4.45Å; L101-F115 CarbonylContact C-O 3.55Å; L101-F115 WeakPolarHBondContact CA-O 3.25Å; F102-F115 HydrophobicContact CB-CB 4.19Å; F102-F115 HydrophobicContact CB-CD1 4.37Å; F102-F115 HydrophobicContact CD1-CB 4.29Å; F102-F115 PolarHBondContact N-O 3.1Å; F102-F115 PolarHBondContact O-N 3.41Å; F115-A117 HydrophobicContact CE1-CB 3.65Å; F115-A117 HydrophobicContact CZ-CB 4Å; F115-V129 HydrophobicContact CD2-CG1 4.07Å; F115-V129 HydrophobicContact CE2-CG1 3.3Å; F115-V129 HydrophobicContact CZ-CG1 3.64Å; F115-V131 HydrophobicContact CD2-CG2 3.89Å; F115-V131 HydrophobicContact CE2-CG2 4.34Å |
| 116 | L | 86.6 | Confident | 77.9 | Confident | 19 Ų | 19 | 76.6 Ų | 76.6 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.6 | 178 | -177.1 | 157.8 | 0 | 0 | 0 | 109.7 | V100 L101 Q118 V129 V130 | V100-L116 CarbonylContact O-C 3.53Å; V100-L116 WeakPolarHBondContact O-CA 3.25Å; L101-L116 HydrophobicContact CD1-CB 4.23Å; L101-L116 HydrophobicContact CD1-CD1 4.43Å; L116-Q118 HydrophobicContact CD2-CG 3.77Å; L116-V129 CarbonylContact O-C 3.41Å; L116-V129 WeakPolarHBondContact O-CA 3.46Å; L116-V130 HydrophobicContact CB-CB 4.26Å; L116-V130 HydrophobicContact CD2-CG2 4.36Å; L116-V130 PolarHBondContact N-O 3.14Å; L116-V130 PolarHBondContact O-N 2.95Å |
| 117 | A | 87.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S99 V100 F115 I119 V129 | S99-A117 CarbonylContact C-O 3.58Å; S99-A117 VanDerWaalsContact CA-O 3.24Å; S99-A117 WeakPolarHBondContact CA-O 3.37Å; V100-A117 HydrophobicContact CB-CB 4.48Å; V100-A117 PolarHBondContact N-O 2.79Å; V100-A117 PolarHBondContact O-N 2.69Å; F115-A117 HydrophobicContact CE1-CB 3.65Å; F115-A117 HydrophobicContact CZ-CB 4Å; A117-I119 HydrophobicContact CB-CG1 4.49Å; A117-V129 HydrophobicContact CB-CG2 4.32Å |
| 118 | Q | 83.6 | Confident | 78.6 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 97.8 | 170.1 | -67.1 | -177.7 | -16.5 | 0 | 0 | 109.6 | S98 L116 P127 S128 | S98-Q118 CarbonylContact O-C 3.05Å; S98-Q118 VanDerWaalsContact O-CA 3.31Å; S98-Q118 WeakPolarHBondContact O-CA 3.38Å; L116-Q118 HydrophobicContact CD2-CG 3.77Å; Q118-P127 WeakPolarHBondContact O-CA 3.34Å; Q118-S128 PolarHBondContact N-O 2.7Å; Q118-S128 PolarHBondContact O-N 3.42Å; Q118-S128 PolarHBondContact OE1-OG 2.88Å |
| 119 | I | 77.3 | Confident | 79.4 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 57% | 0.569 | 38% | 0.377 | S | S | * | . | trans | -85.3 | -32.6 | -174.9 | -55.5 | 174.7 | 0 | 0 | 0 | 111 | S98 V100 A117 P121 | S98-I119 PolarHBondContact O-N 3.13Å; V100-I119 HydrophobicContact CG2-CD1 4.12Å; A117-I119 HydrophobicContact CB-CG1 4.49Å; I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.35Å | ||
| 120 | R | 69.9 | Low | 80.1 | Confident | 181 Ų | 181 | 68.7 Ų | 68.7 | 68% | 0.683 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -121.3 | 78.5 | -174.1 | -151.5 | 177.9 | -55.4 | -85.8 | -3.2 | 110.4 | S98 | S98-R120 VanDerWaalsContact CB-O 3.24Å; S98-R120 WeakPolarHBondContact CB-O 3.39Å; S98-R120 PolarHBondContact O-N 3.26Å |
| 121 | P | 65.7 | Low | 80.6 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 25% | 0.253 | 36% | 0.356 | S | S | . | . | trans | -61.9 | 144.2 | 178.6 | 25.6 | -34.2 | 0 | 0 | 0 | 110.9 | I119 A125 P127 | I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.35Å; P121-A125 HydrophobicContact CB-CB 3.62Å; P121-A125 WeakPolarHBondContact CB-O 3.16Å; P121-A125 WeakPolarHBondContact CG-O 3.31Å; P121-P127 HydrophobicContact CG-CG 4.39Å | ||
| 122 | K | 63.4 | Low | 81 | Confident | 177 Ų | 177 | 67.3 Ų | 67.3 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -86.7 | 133.3 | 168.2 | -76 | -173.6 | 177.3 | -178.4 | 0 | 109.4 | ||
| 123 | G | 67.5 | Low | 81.2 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 81% | 0.814 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -137.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A125 | G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.48Å |
| 124 | N | 66.2 | Low | 81.2 | Confident | 172 Ų | 172 | 64.8 Ų | 64.8 | 92% | 0.92 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 11.2 | -175.5 | -157.5 | 35.3 | 0 | 0 | 0 | 113.6 | ||
| 125 | A | 68.6 | Low | 81.2 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 147 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P121 G123 | P121-A125 HydrophobicContact CB-CB 3.62Å; P121-A125 WeakPolarHBondContact CB-O 3.16Å; P121-A125 WeakPolarHBondContact CG-O 3.31Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.48Å |
| 126 | R | 77.6 | Confident | 81.1 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -90 | 156.1 | 173.5 | -69 | -176.2 | 174 | -171.2 | -7.9 | 109.9 | S128 D163 | R126-S128 PolarHBondContact O-N 3.44Å; R126-D163 IonicContact CZ-OD1 2.87Å; R126-D163 IonicContact CZ-OD2 3.44Å; R126-D163 PolarHBondContact NH1-O 3.19Å; R126-D163 IonicContact NH1-OD1 3.6Å; R126-D163 PolarHBondContact NH1-OD1 2.92Å; R126-D163 VanDerWaalsContact NH1-OD1 3.14Å; R126-D163 IonicContact NH1-OD2 3.51Å; R126-D163 PolarHBondContact NH1-OD2 3.27Å; R126-D163 IonicContact NH2-OD2 2.62Å; R126-D163 PolarHBondContact NH2-OD2 3.5Å |
| 127 | P | 85.3 | Confident | 80.7 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 136.4 | 169 | -22.7 | 34 | 0 | 0 | 0 | 109.2 | Q118 P121 G157 T158 | Q118-P127 WeakPolarHBondContact O-CA 3.34Å; P121-P127 HydrophobicContact CG-CG 4.39Å; P127-G157 PolarHBondContact O-N 3.48Å; P127-T158 HydrophobicContact CG-CG2 4.03Å |
| 128 | S | 87.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.5 | -178.8 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | Q118 R126 R154 F155 | Q118-S128 PolarHBondContact N-O 2.7Å; Q118-S128 PolarHBondContact O-N 3.42Å; Q118-S128 PolarHBondContact OE1-OG 2.88Å; R126-S128 PolarHBondContact O-N 3.44Å; S128-R154 PolarHBondContact OG-NH2 3.24Å; S128-F155 CarbonylContact C-O 3.42Å; S128-F155 VanDerWaalsContact CA-O 3.25Å; S128-F155 WeakPolarHBondContact CA-O 3.42Å |
| 129 | V | 90.3 | Very high | 79.6 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.2 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 107 | F115 L116 A117 V131 R154 F155 | F115-V129 HydrophobicContact CD2-CG1 4.07Å; F115-V129 HydrophobicContact CE2-CG1 3.3Å; F115-V129 HydrophobicContact CZ-CG1 3.64Å; L116-V129 CarbonylContact O-C 3.41Å; L116-V129 WeakPolarHBondContact O-CA 3.46Å; A117-V129 HydrophobicContact CB-CG2 4.32Å; V129-V131 HydrophobicContact CG1-CG2 4.24Å; V129-R154 CarbonylContact O-C 3.51Å; V129-R154 WeakPolarHBondContact O-CA 3.01Å; V129-F155 PolarHBondContact N-O 3.43Å; V129-F155 PolarHBondContact O-N 3.39Å |
| 130 | V | 89.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.3 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 107 | L116 L149 R154 F169 Y172 | L116-V130 HydrophobicContact CB-CB 4.26Å; L116-V130 HydrophobicContact CD2-CG2 4.36Å; L116-V130 PolarHBondContact N-O 3.14Å; L116-V130 PolarHBondContact O-N 2.95Å; V130-L149 HydrophobicContact CG1-CD1 3.72Å; V130-R154 HydrophobicContact CG2-CB 4.13Å; V130-R154 HydrophobicContact CG2-CG 3.76Å; V130-F169 HydrophobicContact CG1-CE1 3.73Å; V130-F169 HydrophobicContact CG1-CZ 3.56Å; V130-Y172 HydrophobicContact CG1-CD1 4.44Å; V130-Y172 HydrophobicContact CG1-CE1 4.5Å; V130-Y172 HydrophobicContact CG2-CE1 4.49Å |
| 131 | V | 92.9 | Very high | 79.3 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 35% | 0.352 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.4 | 173.1 | -173.5 | 0 | 0 | 0 | 0 | 107.3 | V114 F115 V129 G152 T153 F155 | V114-V131 WeakPolarHBondContact O-CA 3.41Å; F115-V131 HydrophobicContact CD2-CG2 3.89Å; F115-V131 HydrophobicContact CE2-CG2 4.34Å; V129-V131 HydrophobicContact CG1-CG2 4.24Å; V131-G152 CarbonylContact O-C 3.54Å; V131-G152 WeakPolarHBondContact O-CA 3.36Å; V131-T153 PolarHBondContact N-O 2.71Å; V131-T153 PolarHBondContact O-N 3.4Å; V131-F155 HydrophobicContact CG2-CE2 4.47Å |
| 132 | A | 91.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V114 L149 F169 | V114-A132 PolarHBondContact N-O 2.96Å; V114-A132 PolarHBondContact O-N 3.12Å; A132-L149 HydrophobicContact CB-CB 3.73Å; A132-L149 HydrophobicContact CB-CD1 4.26Å; A132-L149 HydrophobicContact CB-CD2 4.3Å; A132-L149 HydrophobicContact CB-CG 4.31Å; A132-F169 HydrophobicContact CB-CE2 4.28Å; A132-F169 HydrophobicContact CB-CZ 4.2Å |
| 133 | D | 90.4 | Very high | 79.5 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -36.7 | -176.8 | -65.3 | -15.2 | 0 | 0 | 0 | 111.3 | K112 D113 Q151 | K112-D133 WeakPolarHBondContact CA-O 3.39Å; D113-D133 PolarHBondContact N-O 2.87Å; D133-Q151 PolarHBondContact N-O 3.39Å |
| 134 | S | 88.8 | Confident | 79.5 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.4 | 176.8 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | F111 N150 | F111-S134 CarbonylContact O-C 3.56Å; F111-S134 VanDerWaalsContact O-CA 3.23Å; F111-S134 WeakPolarHBondContact O-CA 3.29Å; S134-N150 PolarHBondContact N-O 2.9Å; S134-N150 PolarHBondContact O-N 3.48Å |
| 135 | G | 87.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 157.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D110 F111 T148 | D110-G135 CarbonylContact C-O 3.55Å; D110-G135 WeakPolarHBondContact CA-O 2.88Å; F111-G135 PolarHBondContact N-O 2.96Å; F111-G135 PolarHBondContact O-N 3.3Å; G135-T148 CarbonylContact C-O 3.53Å; G135-T148 WeakPolarHBondContact CA-O 3.46Å |
| 136 | H | 85 | Confident | 80 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.7 | 176.2 | -170.3 | 80.5 | 0 | 0 | 0 | 109.2 | S109 D110 T138 T148 | S109-H136 WeakPolarHBondContact CB-CE1 3.29Å; S109-H136 PolarHBondContact O-ND1 2.95Å; D110-H136 IonicContact OD1-CE1 3.62Å; D110-H136 IonicContact OD1-CG 3.66Å; D110-H136 IonicContact OD1-ND1 2.7Å; D110-H136 PolarHBondContact OD1-ND1 3.28Å; H136-T138 PolarHBondContact CD2-OG1 3.32Å; H136-T148 PolarHBondContact N-O 2.87Å; H136-T148 PolarHBondContact O-N 2.83Å |
| 137 | L | 79 | Confident | 80.2 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.6 | 174.3 | -175.5 | 76 | 0 | 0 | 0 | 109.7 | M83 S109 F111 Q145 V147 | M83-L137 HydrophobicContact CE-CB 3.72Å; M83-L137 HydrophobicContact CE-CD2 4.1Å; M83-L137 HydrophobicContact CE-CG 4.29Å; M83-L137 WeakPolarHBondContact CE-O 3.5Å; M83-L137 HydrophobicContact SD-CB 3.94Å; M83-L137 HydrophobicContact SD-CD2 3.78Å; M83-L137 HydrophobicContact SD-CG 4.44Å; S109-L137 PolarHBondContact O-N 2.85Å; F111-L137 HydrophobicContact CE2-CB 3.62Å; F111-L137 HydrophobicContact CZ-CB 3.56Å; F111-L137 HydrophobicContact CZ-CD2 4.3Å; F111-L137 HydrophobicContact CZ-CG 4.45Å; L137-Q145 HydrophobicContact CD1-CB 4.08Å; L137-V147 HydrophobicContact CD1-CG2 3.43Å; L137-V147 VanDerWaalsContact CD1-CG2 3.43Å |
| 138 | T | 75.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 37% | 0.368 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.2 | 171.8 | -51 | 0 | 0 | 0 | 0 | 109.4 | H136 V146 | H136-T138 PolarHBondContact CD2-OG1 3.32Å; T138-V146 PolarHBondContact N-O 2.81Å; T138-V146 PolarHBondContact O-N 3.47Å |
| 139 | Q | 72 | Confident | 80.3 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.9 | 169.7 | -167.7 | -175.4 | 6.9 | 0 | 0 | 109.5 | A79 N80 | A79-Q139 PolarHBondContact O-NE2 3.09Å; N80-Q139 PolarHBondContact OD1-NE2 3.44Å; N80-Q139 PolarHBondContact OD1-OE1 3.42Å |
| 140 | L | 70.8 | Confident | 80.3 | Confident | 74 Ų | 74 | 49 Ų | 49 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | trans | -77.6 | 161.2 | 173.2 | -90.2 | 59.2 | 0 | 0 | 0 | 110.3 | D142 G143 S144 V146 | L140-D142 WeakPolarHBondContact CB-OD1 3.35Å; L140-D142 PolarHBondContact O-N 3.39Å; L140-D142 VanDerWaalsContact O-N 3.08Å; L140-G143 PolarHBondContact O-N 3Å; L140-S144 PolarHBondContact N-O 2.88Å; L140-V146 HydrophobicContact CD1-CB 4.05Å; L140-V146 HydrophobicContact CD1-CG2 3.46Å; L140-V146 VanDerWaalsContact CD1-CG2 3.46Å; L140-V146 HydrophobicContact CD2-CG2 4.26Å; L140-V146 HydrophobicContact CG-CG2 4.46Å | ||
| 141 | R | 69.5 | Low | 80.3 | Confident | 265 Ų | 265 | 55.1 Ų | 55.1 | 100% | 1 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.4 | 179.2 | -70.2 | -177.3 | 172.1 | -177.1 | -2.4 | 114.1 | G143 | R141-G143 VanDerWaalsContact C-N 3.31Š|
| 142 | D | 68.7 | Low | 80.2 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.5 | 175.9 | 64.6 | -3.9 | 0 | 0 | 0 | 113.2 | L140 S144 | L140-D142 WeakPolarHBondContact CB-OD1 3.35Å; L140-D142 PolarHBondContact O-N 3.39Å; L140-D142 VanDerWaalsContact O-N 3.08Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.35Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 2.88Å; D142-S144 PolarHBondContact OD1-OG 3.32Å; D142-S144 PolarHBondContact OD2-OG 3.48Å |
| 143 | G | 64.5 | Low | 80.3 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 81.2 | -0.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L140 R141 H178 | L140-G143 PolarHBondContact O-N 3Å; R141-G143 VanDerWaalsContact C-N 3.31Å; G143-H178 PolarHBondContact O-ND1 3.34Å |
| 144 | S | 67.9 | Low | 80.3 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | trans | -71.1 | 141.5 | 173.4 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | L140 D142 | L140-S144 PolarHBondContact N-O 2.88Å; D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.35Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 2.88Å; D142-S144 PolarHBondContact OD1-OG 3.32Å; D142-S144 PolarHBondContact OD2-OG 3.48Å | ||
| 145 | Q | 68.9 | Low | 80.4 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.8 | -179.5 | -75.1 | -176.3 | -6 | 0 | 0 | 109 | P81 L137 I176 | P81-Q145 VanDerWaalsContact CG-NE2 3.33Å; L137-Q145 HydrophobicContact CD1-CB 4.08Å; Q145-I176 PolarHBondContact O-N 3.36Å; Q145-I176 VanDerWaalsContact O-O 3.13Å |
| 146 | V | 77.2 | Confident | 80.5 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.9 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | T138 L140 Q173 I175 | T138-V146 PolarHBondContact N-O 2.81Å; T138-V146 PolarHBondContact O-N 3.47Å; L140-V146 HydrophobicContact CD1-CB 4.05Å; L140-V146 HydrophobicContact CD1-CG2 3.46Å; L140-V146 VanDerWaalsContact CD1-CG2 3.46Å; L140-V146 HydrophobicContact CD2-CG2 4.26Å; L140-V146 HydrophobicContact CG-CG2 4.46Å; V146-Q173 HydrophobicContact CG1-CB 4.3Å; V146-I175 HydrophobicContact CG2-CG1 4.19Å; V146-I175 HydrophobicContact CG2-CG2 4.48Å |
| 147 | V | 80.3 | Confident | 80.5 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.4 | 170.8 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | L137 L149 Q173 A174 I176 | L137-V147 HydrophobicContact CD1-CG2 3.43Å; L137-V147 VanDerWaalsContact CD1-CG2 3.43Å; V147-L149 HydrophobicContact CG1-CD2 3.61Å; V147-L149 HydrophobicContact CG1-CG 3.98Å; V147-Q173 WeakPolarHBondContact O-CA 3.47Å; V147-A174 PolarHBondContact N-O 3.25Å; V147-A174 PolarHBondContact O-N 3.25Å; V147-I176 HydrophobicContact CB-CD1 4.41Å; V147-I176 HydrophobicContact CG2-CD1 3.41Å; V147-I176 VanDerWaalsContact CG2-CD1 3.41Å; V147-I176 HydrophobicContact CG2-CG1 3.96Å |
| 148 | T | 87.1 | Confident | 80.4 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.2 | 171.8 | -52.4 | 0 | 0 | 0 | 0 | 107.6 | G135 H136 Q173 | G135-T148 CarbonylContact C-O 3.53Å; G135-T148 WeakPolarHBondContact CA-O 3.46Å; H136-T148 PolarHBondContact N-O 2.87Å; H136-T148 PolarHBondContact O-N 2.83Å; T148-Q173 HydrophobicContact CG2-CG 3.87Å |
| 149 | L | 88.4 | Confident | 80.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.4 | 175.4 | -58.5 | 177.7 | 0 | 0 | 0 | 108.6 | V114 V130 A132 V147 F169 Y172 | V114-L149 HydrophobicContact CB-CD2 3.89Å; V114-L149 HydrophobicContact CG1-CD2 3.75Å; V114-L149 HydrophobicContact CG2-CD2 3.99Å; V130-L149 HydrophobicContact CG1-CD1 3.72Å; A132-L149 HydrophobicContact CB-CB 3.73Å; A132-L149 HydrophobicContact CB-CD1 4.26Å; A132-L149 HydrophobicContact CB-CD2 4.3Å; A132-L149 HydrophobicContact CB-CG 4.31Å; V147-L149 HydrophobicContact CG1-CD2 3.61Å; V147-L149 HydrophobicContact CG1-CG 3.98Å; L149-F169 HydrophobicContact CB-CE2 3.99Å; L149-F169 HydrophobicContact CB-CZ 4.45Å; L149-Y172 HydrophobicContact CD1-CD1 3.99Å; L149-Y172 HydrophobicContact CG-CD1 4.48Å; L149-Y172 PolarHBondContact N-O 3.5Å; L149-Y172 PolarHBondContact O-N 3.35Å |
| 150 | N | 90.1 | Very high | 80.6 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.8 | -179.6 | -58.6 | -25 | 0 | 0 | 0 | 109.4 | S134 Q170 D171 | S134-N150 PolarHBondContact N-O 2.9Å; S134-N150 PolarHBondContact O-N 3.48Å; N150-Q170 CarbonylContact C-O 3.54Å; N150-Q170 VanDerWaalsContact CA-O 3.31Å; N150-Q170 WeakPolarHBondContact CA-O 3.46Å; N150-D171 PolarHBondContact OD1-OD1 3.26Å |
| 151 | Q | 89.5 | Confident | 80.9 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 91.1 | 178.6 | -64.2 | -178.2 | -36.1 | 0 | 0 | 112.6 | D133 Q170 | D133-Q151 PolarHBondContact N-O 3.39Å; Q151-Q170 PolarHBondContact N-O 2.99Å |
| 152 | G | 91.9 | Very high | 81.5 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V131 F169 | V131-G152 CarbonylContact O-C 3.54Å; V131-G152 WeakPolarHBondContact O-CA 3.36Å; G152-F169 VanDerWaalsContact C-CZ 3.5Å; G152-F169 VanDerWaalsContact CA-CZ 3.44Å; G152-F169 PolarHBondContact N-O 2.77Å; G152-F169 VanDerWaalsContact N-O 3.09Å; G152-F169 VanDerWaalsContact O-CD1 3.3Å; G152-F169 WeakPolarHBondContact O-CD1 3.28Å; G152-F169 WeakPolarHBondContact O-CE1 3.36Å; G152-F169 PolarHBondContact O-N 3.49Å |
| 153 | T | 93.1 | Very high | 82.2 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.4 | -179.9 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | V131 F155 I166 T167 D168 | V131-T153 PolarHBondContact N-O 2.71Å; V131-T153 PolarHBondContact O-N 3.4Å; T153-F155 HydrophobicContact CG2-CD1 4.27Å; T153-F155 HydrophobicContact CG2-CD2 4.33Å; T153-F155 HydrophobicContact CG2-CE1 3.69Å; T153-F155 HydrophobicContact CG2-CE2 3.77Å; T153-F155 HydrophobicContact CG2-CZ 3.41Å; T153-F155 VanDerWaalsContact CG2-CZ 3.41Å; T153-I166 HydrophobicContact CG2-CG2 3.44Å; T153-I166 VanDerWaalsContact CG2-CG2 3.44Å; T153-T167 WeakPolarHBondContact CA-O 3.46Å; T153-D168 WeakPolarHBondContact CB-OD1 3.46Å; T153-D168 VanDerWaalsContact CG2-OD1 3.24Å; T153-D168 WeakPolarHBondContact CG2-OD1 3.38Å; T153-D168 PolarHBondContact OG1-OD1 3.03Å |
| 154 | R | 91.5 | Very high | 83.3 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116 | 174.3 | 178.8 | 169 | -168.6 | -135.6 | -5.7 | 109.7 | S128 V129 V130 E156 T167 F169 | S128-R154 PolarHBondContact OG-NH2 3.24Å; V129-R154 CarbonylContact O-C 3.51Å; V129-R154 WeakPolarHBondContact O-CA 3.01Å; V130-R154 HydrophobicContact CG2-CB 4.13Å; V130-R154 HydrophobicContact CG2-CG 3.76Å; R154-E156 HydrophobicContact CG-CG 4.12Å; R154-E156 IonicContact CZ-OE1 2.97Å; R154-E156 IonicContact NE-OE1 3.63Å; R154-E156 IonicContact NH1-OE1 3.82Å; R154-E156 PolarHBondContact NH1-OE1 3.19Å; R154-E156 IonicContact NH2-OE1 3.58Å; R154-E156 PolarHBondContact NH2-OE1 3.45Å; R154-T167 PolarHBondContact N-O 2.87Å; R154-T167 PolarHBondContact O-N 3.15Å; R154-F169 HydrophobicContact CB-CD1 4.23Å; R154-F169 HydrophobicContact CB-CE1 4.02Å |
| 155 | F | 91 | Very high | 84.2 | Confident | 79 Ų | 79 | 70 Ų | 70 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.9 | 173.9 | -54.9 | -81.8 | 0 | 0 | 0 | 109.2 | S128 V129 V131 T153 I166 | S128-F155 CarbonylContact C-O 3.42Å; S128-F155 VanDerWaalsContact CA-O 3.25Å; S128-F155 WeakPolarHBondContact CA-O 3.42Å; V129-F155 PolarHBondContact N-O 3.43Å; V129-F155 PolarHBondContact O-N 3.39Å; V131-F155 HydrophobicContact CG2-CE2 4.47Å; T153-F155 HydrophobicContact CG2-CD1 4.27Å; T153-F155 HydrophobicContact CG2-CD2 4.33Å; T153-F155 HydrophobicContact CG2-CE1 3.69Å; T153-F155 HydrophobicContact CG2-CE2 3.77Å; T153-F155 HydrophobicContact CG2-CZ 3.41Å; T153-F155 VanDerWaalsContact CG2-CZ 3.41Å; F155-I166 HydrophobicContact CD1-CD1 4.36Å; F155-I166 HydrophobicContact CD1-CG1 4.04Å; F155-I166 HydrophobicContact CD1-CG2 4.14Å; F155-I166 HydrophobicContact CE1-CD1 4.31Å; F155-I166 HydrophobicContact CE1-CG1 4.36Å; F155-I166 HydrophobicContact CE1-CG2 3.92Å |
| 156 | E | 88.8 | Confident | 85.3 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 170 | -52.6 | -175.8 | 157.5 | 0 | 0 | 109.7 | R154 F164 R165 | R154-E156 HydrophobicContact CG-CG 4.12Å; R154-E156 IonicContact CZ-OE1 2.97Å; R154-E156 IonicContact NE-OE1 3.63Å; R154-E156 IonicContact NH1-OE1 3.82Å; R154-E156 PolarHBondContact NH1-OE1 3.19Å; R154-E156 IonicContact NH2-OE1 3.58Å; R154-E156 PolarHBondContact NH2-OE1 3.45Å; E156-F164 WeakPolarHBondContact O-CA 3.36Å; E156-R165 HydrophobicContact CB-CB 4.24Å; E156-R165 PolarHBondContact N-O 3.43Å; E156-R165 PolarHBondContact O-N 2.93Å; E156-R165 IonicContact OE2-NE 3.89Å |
| 157 | G | 84.4 | Confident | 86 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | trans | 166.8 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P127 | P127-G157 PolarHBondContact O-N 3.48Š| ||
| 158 | T | 78.2 | Confident | 86.6 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | trans | -118.2 | 135.2 | 172.8 | 55.8 | 0 | 0 | 0 | 0 | 108 | P127 L160 L161 | P127-T158 HydrophobicContact CG-CG2 4.03Å; T158-L160 PolarHBondContact O-N 3.27Å; T158-L161 PolarHBondContact O-N 2.96Å | ||
| 159 | A | 74.7 | Confident | 86.7 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 84% | 0.835 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -21.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 160 | L | 76.2 | Confident | 86.8 | Confident | 166 Ų | 166 | 88.4 Ų | 88.4 | 87% | 0.869 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -30.3 | 177.1 | -79.8 | 111.6 | 0 | 0 | 0 | 114.5 | T158 | T158-L160 PolarHBondContact O-N 3.27Š|
| 161 | L | 77.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -108 | 131.2 | -175.4 | -62.9 | 169.6 | 0 | 0 | 0 | 108.8 | T158 D163 | T158-L161 PolarHBondContact O-N 2.96Å; L161-D163 WeakPolarHBondContact CB-OD1 3.11Å; L161-D163 PolarHBondContact O-N 3.37Å |
| 162 | R | 80.8 | Confident | 86.6 | Confident | 254 Ų | 254 | 87.7 Ų | 87.7 | 96% | 0.958 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -79 | 24.9 | -179.5 | -66.3 | -177.3 | 177.9 | 167.5 | -1 | 113.2 | ||
| 163 | D | 84.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 93.7 Ų | 93.7 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | trans | -107.9 | 49.7 | -173.4 | 65.8 | -13 | 0 | 0 | 0 | 111.6 | R126 L161 | R126-D163 IonicContact CZ-OD1 2.87Å; R126-D163 IonicContact CZ-OD2 3.44Å; R126-D163 PolarHBondContact NH1-O 3.19Å; R126-D163 IonicContact NH1-OD1 3.6Å; R126-D163 PolarHBondContact NH1-OD1 2.92Å; R126-D163 VanDerWaalsContact NH1-OD1 3.14Å; R126-D163 IonicContact NH1-OD2 3.51Å; R126-D163 PolarHBondContact NH1-OD2 3.27Å; R126-D163 IonicContact NH2-OD2 2.62Å; R126-D163 PolarHBondContact NH2-OD2 3.5Å; L161-D163 WeakPolarHBondContact CB-OD1 3.11Å; L161-D163 PolarHBondContact O-N 3.37Å | ||
| 164 | F | 86 | Confident | 85.4 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | trans | -67 | 136.3 | 177.1 | -76 | -90.8 | 0 | 0 | 0 | 111.3 | E156 | E156-F164 WeakPolarHBondContact O-CA 3.36Š| ||
| 165 | R | 88.3 | Confident | 84.4 | Confident | 160 Ų | 160 | 96.4 Ų | 96.4 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.4 | 165.7 | -61.7 | 175.8 | 63.4 | 159.6 | -1 | 107.8 | E156 | E156-R165 HydrophobicContact CB-CB 4.24Å; E156-R165 PolarHBondContact N-O 3.43Å; E156-R165 PolarHBondContact O-N 2.93Å; E156-R165 IonicContact OE2-NE 3.89Å |
| 166 | I | 91.1 | Very high | 83.1 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.6 | 177.5 | -52.2 | -179 | 0 | 0 | 0 | 106.4 | T153 F155 | T153-I166 HydrophobicContact CG2-CG2 3.44Å; T153-I166 VanDerWaalsContact CG2-CG2 3.44Å; F155-I166 HydrophobicContact CD1-CD1 4.36Å; F155-I166 HydrophobicContact CD1-CG1 4.04Å; F155-I166 HydrophobicContact CD1-CG2 4.14Å; F155-I166 HydrophobicContact CE1-CD1 4.31Å; F155-I166 HydrophobicContact CE1-CG1 4.36Å; F155-I166 HydrophobicContact CE1-CG2 3.92Å |
| 167 | T | 91.4 | Very high | 81.4 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.6 | 178.4 | -49.8 | 0 | 0 | 0 | 0 | 108.7 | T153 R154 | T153-T167 WeakPolarHBondContact CA-O 3.46Å; R154-T167 PolarHBondContact N-O 2.87Å; R154-T167 PolarHBondContact O-N 3.15Å |
| 168 | D | 92.8 | Very high | 79.7 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 65% | 0.647 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.6 | 168.4 | -59.7 | -48.1 | 0 | 0 | 0 | 108.8 | T153 | T153-D168 WeakPolarHBondContact CB-OD1 3.46Å; T153-D168 VanDerWaalsContact CG2-OD1 3.24Å; T153-D168 WeakPolarHBondContact CG2-OD1 3.38Å; T153-D168 PolarHBondContact OG1-OD1 3.03Å |
| 169 | F | 91.2 | Very high | 78.3 | Confident | 23 Ų | 23 | 104.3 Ų | 104.3 | 10% | 0.101 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.1 | -179 | 58.6 | -97.8 | 0 | 0 | 0 | 110.5 | V130 A132 L149 G152 R154 Y172 | V130-F169 HydrophobicContact CG1-CE1 3.73Å; V130-F169 HydrophobicContact CG1-CZ 3.56Å; A132-F169 HydrophobicContact CB-CE2 4.28Å; A132-F169 HydrophobicContact CB-CZ 4.2Å; L149-F169 HydrophobicContact CB-CE2 3.99Å; L149-F169 HydrophobicContact CB-CZ 4.45Å; G152-F169 VanDerWaalsContact C-CZ 3.5Å; G152-F169 VanDerWaalsContact CA-CZ 3.44Å; G152-F169 PolarHBondContact N-O 2.77Å; G152-F169 VanDerWaalsContact N-O 3.09Å; G152-F169 VanDerWaalsContact O-CD1 3.3Å; G152-F169 WeakPolarHBondContact O-CD1 3.28Å; G152-F169 WeakPolarHBondContact O-CE1 3.36Å; G152-F169 PolarHBondContact O-N 3.49Å; R154-F169 HydrophobicContact CB-CD1 4.23Å; R154-F169 HydrophobicContact CB-CE1 4.02Å; F169-Y172 HydrophobicContact CD2-CG 4.34Å; F169-Y172 HydrophobicContact CE1-CG 4.49Å; F169-Y172 HydrophobicContact CE2-CG 4.3Å; F169-Y172 HydrophobicContact CG-CG 4.43Å; F169-Y172 HydrophobicContact CZ-CG 4.37Å |
| 170 | Q | 90.5 | Very high | 76.9 | Confident | 160 Ų | 160 | 101.6 Ų | 101.6 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -50 | 170.4 | -68 | -173.9 | -0.1 | 0 | 0 | 110.2 | N150 Q151 | N150-Q170 CarbonylContact C-O 3.54Å; N150-Q170 VanDerWaalsContact CA-O 3.31Å; N150-Q170 WeakPolarHBondContact CA-O 3.46Å; Q151-Q170 PolarHBondContact N-O 2.99Å |
| 171 | D | 88.3 | Confident | 75.6 | Confident | 113 Ų | 113 | 96.8 Ų | 96.8 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122 | 175.7 | -61.3 | -43.9 | 0 | 0 | 0 | 109.5 | N150 | N150-D171 PolarHBondContact OD1-OD1 3.26Å |
| 172 | Y | 86.5 | Confident | 74.2 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 107.6 | 175.5 | -178.6 | -99.1 | 0 | 0 | 0 | 110.3 | V130 L149 F169 A174 | V130-Y172 HydrophobicContact CG1-CD1 4.44Å; V130-Y172 HydrophobicContact CG1-CE1 4.5Å; V130-Y172 HydrophobicContact CG2-CE1 4.49Å; L149-Y172 HydrophobicContact CD1-CD1 3.99Å; L149-Y172 HydrophobicContact CG-CD1 4.48Å; L149-Y172 PolarHBondContact N-O 3.5Å; L149-Y172 PolarHBondContact O-N 3.35Å; F169-Y172 HydrophobicContact CD2-CG 4.34Å; F169-Y172 HydrophobicContact CE1-CG 4.49Å; F169-Y172 HydrophobicContact CE2-CG 4.3Å; F169-Y172 HydrophobicContact CG-CG 4.43Å; F169-Y172 HydrophobicContact CZ-CG 4.37Å; Y172-A174 HydrophobicContact CD1-CB 4.45Å; Y172-A174 HydrophobicContact CE1-CB 3.92Å |
| 173 | Q | 84.8 | Confident | 72.8 | Confident | 137 Ų | 137 | 89 Ų | 89 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.2 | 175.8 | -67.4 | -177.3 | 10.5 | 0 | 0 | 109.9 | V146 V147 T148 | V146-Q173 HydrophobicContact CG1-CB 4.3Å; V147-Q173 WeakPolarHBondContact O-CA 3.47Å; T148-Q173 HydrophobicContact CG2-CG 3.87Å |
| 174 | A | 74.8 | Confident | 71.2 | Confident | 22 Ų | 22 | 90 Ų | 90 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | V147 Y172 I176 | V147-A174 PolarHBondContact N-O 3.25Å; V147-A174 PolarHBondContact O-N 3.25Å; Y172-A174 HydrophobicContact CD1-CB 4.45Å; Y172-A174 HydrophobicContact CE1-CB 3.92Å; A174-I176 PolarHBondContact O-N 3.41Å |
| 175 | I | 69.5 | Low | 69.6 | Low | 120 Ų | 120 | 89.5 Ų | 89.5 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 106.8 | 169 | -51.2 | -179.3 | 0 | 0 | 0 | 106.5 | V146 G177 | V146-I175 HydrophobicContact CG2-CG1 4.19Å; V146-I175 HydrophobicContact CG2-CG2 4.48Å; I175-G177 PolarHBondContact O-N 3.27Å |
| 176 | I | 64.2 | Low | 68.2 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 38% | 0.379 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 89.7 | 163.7 | -58.6 | -174.4 | 0 | 0 | 0 | 104.2 | Q145 V147 A174 H178 | Q145-I176 PolarHBondContact O-N 3.36Å; Q145-I176 VanDerWaalsContact O-O 3.13Å; V147-I176 HydrophobicContact CB-CD1 4.41Å; V147-I176 HydrophobicContact CG2-CD1 3.41Å; V147-I176 VanDerWaalsContact CG2-CD1 3.41Å; V147-I176 HydrophobicContact CG2-CG1 3.96Å; A174-I176 PolarHBondContact O-N 3.41Å; I176-H178 PolarHBondContact O-N 3.44Å |
| 177 | G | 53.2 | Low | 66.9 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | trans | -44.9 | 127.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I175 Q179 | I175-G177 PolarHBondContact O-N 3.27Å; G177-Q179 PolarHBondContact O-N 3.25Å | ||
| 178 | H | 48.4 | Very low | 65.8 | Low | 84 Ų | 84 | 81.3 Ų | 81.3 | 39% | 0.389 | 44% | 0.443 | S | S | . | . | trans | -49.9 | 104.7 | 172.9 | -169.9 | 68.5 | 0 | 0 | 0 | 107 | G143 I176 A180 | G143-H178 PolarHBondContact O-ND1 3.34Å; I176-H178 PolarHBondContact O-N 3.44Å; H178-A180 WeakPolarHBondContact CD2-CA 3.36Å; H178-A180 PolarHBondContact CD2-N 3.07Å; H178-A180 VanDerWaalsContact NE2-CA 3.34Å; H178-A180 WeakPolarHBondContact NE2-CA 3.49Å; H178-A180 PolarHBondContact O-N 2.92Å | ||
| 179 | Q | 49.7 | Very low | 64.7 | Low | 122 Ų | 122 | 78.6 Ų | 78.6 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -69.3 | 90.1 | 149.3 | -86.3 | 174.3 | 63.8 | 0 | 0 | 102.3 | T95 G177 V181 | T95-Q179 PolarHBondContact OG1-NE2 2.62Å; T95-Q179 VanDerWaalsContact OG1-NE2 3.16Å; T95-Q179 PolarHBondContact OG1-OE1 2.97Å; G177-Q179 PolarHBondContact O-N 3.25Å; Q179-V181 VanDerWaalsContact C-N 3.32Å; Q179-V181 PolarHBondContact O-N 3.1Å | ||
| 180 | A | 45.2 | Very low | 63.7 | Low | 45 Ų | 45 | 78.7 Ų | 78.7 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | trans | -43.4 | 117.6 | 153 | 0 | 0 | 0 | 0 | 0 | 103.2 | H178 V182 | H178-A180 WeakPolarHBondContact CD2-CA 3.36Å; H178-A180 PolarHBondContact CD2-N 3.07Å; H178-A180 VanDerWaalsContact NE2-CA 3.34Å; H178-A180 WeakPolarHBondContact NE2-CA 3.49Å; H178-A180 PolarHBondContact O-N 2.92Å; A180-V182 HydrophobicContact CB-CG2 3.94Å; A180-V182 PolarHBondContact O-N 3.45Å | ||
| 181 | V | 49.4 | Very low | 62.9 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 39% | 0.394 | 40% | 0.402 | S | S | . | . | trans | -63.2 | 82.3 | 154.5 | -178.4 | 0 | 0 | 0 | 0 | 101.4 | A75 K78 Q179 L183 | A75-V181 HydrophobicContact CB-CB 4.42Å; K78-V181 HydrophobicContact CB-CG2 4.01Å; K78-V181 HydrophobicContact CD-CG2 3.53Å; K78-V181 HydrophobicContact CG-CG2 4.46Å; Q179-V181 VanDerWaalsContact C-N 3.32Å; Q179-V181 PolarHBondContact O-N 3.1Å; V181-L183 PolarHBondContact O-N 2.9Å | ||
| 182 | V | 46.4 | Very low | 62.5 | Low | 99 Ų | 99 | 70.1 Ų | 70.1 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | trans | -56.3 | 106.8 | 167 | -174 | 0 | 0 | 0 | 0 | 99.6 | A180 D184 P185 | A180-V182 HydrophobicContact CB-CG2 3.94Å; A180-V182 PolarHBondContact O-N 3.45Å; V182-D184 WeakPolarHBondContact O-CA 3.31Å; V182-D184 PolarHBondContact O-N 2.79Å; V182-P185 HydrophobicContact CG1-CG 4.22Å | ||
| 183 | L | 51.4 | Low | 61.9 | Low | 85 Ų | 85 | 69.8 Ų | 69.8 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | trans | -37 | 104.2 | 158.9 | -78.7 | 148.9 | 0 | 0 | 0 | 103.2 | D71 V181 P185 | D71-L183 HydrophobicContact CB-CD2 3.82Å; V181-L183 PolarHBondContact O-N 2.9Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-P185 WeakPolarHBondContact O-CG 3.36Å | ||
| 184 | D | 53 | Low | 61.6 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | trans | -57 | 112.2 | -171 | -179.2 | -9.2 | 0 | 0 | 0 | 103.1 | V182 N186 D187 | V182-D184 WeakPolarHBondContact O-CA 3.31Å; V182-D184 PolarHBondContact O-N 2.79Å; D184-N186 PolarHBondContact O-N 2.99Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.21Å; D184-N186 PolarHBondContact OD1-N 2.98Å; D184-N186 PolarHBondContact OD1-ND2 3.47Å; D184-N186 VanDerWaalsContact OD1-ND2 3.15Å; D184-D187 HydrophobicContact CB-CB 4.26Å; D184-D187 WeakPolarHBondContact O-CB 3.26Å; D184-D187 PolarHBondContact O-N 2.98Å | ||
| 185 | P | 52 | Low | 61.8 | Low | 94 Ų | 94 | 75.3 Ų | 75.3 | 61% | 0.61 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.6 | -173.9 | -19.4 | 32.6 | 0 | 0 | 0 | 110.1 | V182 L183 M191 | V182-P185 HydrophobicContact CG1-CG 4.22Å; L183-P185 WeakPolarHBondContact O-CD 3.46Å; L183-P185 WeakPolarHBondContact O-CG 3.36Å; P185-M191 WeakPolarHBondContact O-CE 3.41Å |
| 186 | N | 57.6 | Low | 62.2 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 11.3 | 175 | -45.6 | -63.6 | 0 | 0 | 0 | 113.5 | D184 T188 | D184-N186 PolarHBondContact O-N 2.99Å; D184-N186 VanDerWaalsContact OD1-CB 3.3Å; D184-N186 WeakPolarHBondContact OD1-CB 3.21Å; D184-N186 PolarHBondContact OD1-N 2.98Å; D184-N186 PolarHBondContact OD1-ND2 3.47Å; D184-N186 VanDerWaalsContact OD1-ND2 3.15Å; N186-T188 PolarHBondContact O-N 3.46Å |
| 187 | D | 65.5 | Low | 62.9 | Low | 51 Ų | 51 | 74.8 Ų | 74.8 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -70 | 90.5 | 167.6 | -163 | -16.5 | 0 | 0 | 0 | 108.5 | D184 D189 Q190 | D184-D187 HydrophobicContact CB-CB 4.26Å; D184-D187 WeakPolarHBondContact O-CB 3.26Å; D184-D187 PolarHBondContact O-N 2.98Å; D187-D189 PolarHBondContact O-N 3.4Å; D187-D189 VanDerWaalsContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CB 3.45Å; D187-D189 PolarHBondContact OD1-N 2.72Å; D187-D189 VanDerWaalsContact OD1-N 3.1Å; D187-Q190 HydrophobicContact CB-CG 4.25Å; D187-Q190 PolarHBondContact O-N 2.9Å; D187-Q190 VanDerWaalsContact O-N 3.09Å | ||
| 188 | T | 67.9 | Low | 64.3 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.5 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | N186 Q190 M191 R203 A204 | N186-T188 PolarHBondContact O-N 3.46Å; T188-Q190 VanDerWaalsContact C-N 3.27Å; T188-Q190 PolarHBondContact O-N 3.08Å; T188-M191 HydrophobicContact CG2-CE 4.48Å; T188-M191 HydrophobicContact CG2-SD 4.29Å; T188-M191 PolarHBondContact O-N 2.77Å; T188-R203 HydrophobicContact CG2-CB 3.58Å; T188-A204 HydrophobicContact CG2-CB 4.11Å |
| 189 | D | 68.9 | Low | 65.8 | Low | 64 Ų | 64 | 76.7 Ų | 76.7 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.9 | 178.2 | -67.5 | -14 | 0 | 0 | 0 | 111.5 | D187 R211 K259 | D187-D189 PolarHBondContact O-N 3.4Å; D187-D189 VanDerWaalsContact O-N 3.13Å; D187-D189 WeakPolarHBondContact OD1-CB 3.45Å; D187-D189 PolarHBondContact OD1-N 2.72Å; D187-D189 VanDerWaalsContact OD1-N 3.1Å; D189-R211 PolarHBondContact O-NH2 3.43Å; D189-K259 IonicContact OD1-NZ 3.14Å; D189-K259 PolarHBondContact OD1-NZ 2.99Å; D189-K259 IonicContact OD2-NZ 3.82Å |
| 190 | Q | 70 | Confident | 67.1 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -17.8 | 177.5 | -62.2 | 178.1 | 24.6 | 0 | 0 | 114.2 | R68 D71 D187 T188 | R68-Q190 HydrophobicContact CG-CB 4Å; R68-Q190 HydrophobicContact CG-CG 4.41Å; D71-Q190 VanDerWaalsContact OD2-CD 3.28Å; D71-Q190 WeakPolarHBondContact OD2-CG 3.44Å; D71-Q190 PolarHBondContact OD2-NE2 2.92Å; D187-Q190 HydrophobicContact CB-CG 4.25Å; D187-Q190 PolarHBondContact O-N 2.9Å; D187-Q190 VanDerWaalsContact O-N 3.09Å; T188-Q190 VanDerWaalsContact C-N 3.27Å; T188-Q190 PolarHBondContact O-N 3.08Å |
| 191 | M | 74.2 | Confident | 68.8 | Low | 34 Ų | 34 | 77.8 Ų | 77.8 | 17% | 0.167 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -69.5 | 140 | -171.1 | -68.3 | -175.1 | 179.6 | 0 | 0 | 111.6 | P185 T188 L196 R211 | P185-M191 WeakPolarHBondContact O-CE 3.41Å; T188-M191 HydrophobicContact CG2-CE 4.48Å; T188-M191 HydrophobicContact CG2-SD 4.29Å; T188-M191 PolarHBondContact O-N 2.77Å; M191-L196 HydrophobicContact CB-CD1 4.45Å; M191-L196 HydrophobicContact CB-CD2 3.72Å; M191-L196 HydrophobicContact CB-CG 3.69Å; M191-L196 HydrophobicContact CG-CD2 4.41Å; M191-L196 HydrophobicContact SD-CD2 3.98Å; M191-R211 PolarHBondContact O-NH1 3.33Å; M191-R211 PolarHBondContact O-NH2 3.46Å |
| 192 | D | 79.1 | Confident | 70.4 | Confident | 58 Ų | 58 | 78 Ų | 78 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | trans | -66.9 | 155.8 | 171.2 | -77.1 | -16.8 | 0 | 0 | 0 | 110.2 | R68 R194 T195 L196 | R68-D192 IonicContact CZ-OD1 3.96Å; R68-D192 IonicContact NH2-OD1 2.81Å; R68-D192 PolarHBondContact NH2-OD1 3.33Å; R68-D192 IonicContact NH2-OD2 2.95Å; D192-R194 PolarHBondContact O-N 3.31Å; D192-R194 VanDerWaalsContact O-N 3.14Å; D192-T195 PolarHBondContact N-OG1 2.91Å; D192-T195 PolarHBondContact O-N 3.2Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.12Å; D192-L196 PolarHBondContact O-N 3.04Å | ||
| 193 | M | 75.4 | Confident | 72.1 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.8 | -34.3 | -177.8 | -167.6 | 66.2 | -178.8 | 0 | 0 | 112.8 | W197 L208 I212 | M193-W197 PolarHBondContact O-N 3.14Å; M193-W197 VanDerWaalsContact O-N 3.12Å; M193-L208 HydrophobicContact CE-CD1 3.39Å; M193-L208 HydrophobicContact CE-CG 3.92Å; M193-L208 HydrophobicContact SD-CD1 3.71Å; M193-I212 HydrophobicContact CE-CD1 4.08Å; M193-I212 HydrophobicContact CE-CG1 3.94Å |
| 194 | R | 78.2 | Confident | 73.7 | Confident | 210 Ų | 210 | 75.3 Ų | 75.3 | 79% | 0.792 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.8 | -39.6 | 178.4 | -73.1 | -177.6 | -94.2 | -172.1 | -5.8 | 112.4 | D192 W197 N198 | D192-R194 PolarHBondContact O-N 3.31Å; D192-R194 VanDerWaalsContact O-N 3.14Å; R194-W197 PolarHBondContact O-N 2.83Å; R194-N198 PolarHBondContact O-N 3.33Å |
| 195 | T | 77.9 | Confident | 75.2 | Confident | 66 Ų | 66 | 76 Ų | 76 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.5 | -37.3 | 176.9 | 46.5 | 0 | 0 | 0 | 0 | 111 | D192 W197 N198 T199 | D192-T195 PolarHBondContact N-OG1 2.91Å; D192-T195 PolarHBondContact O-N 3.2Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.12Å; T195-W197 VanDerWaalsContact C-N 3.31Å; T195-W197 PolarHBondContact O-N 3.34Å; T195-N198 PolarHBondContact O-N 3.26Å; T195-T199 WeakPolarHBondContact O-CB 3.23Å; T195-T199 PolarHBondContact O-N 3.49Å; T195-T199 VanDerWaalsContact O-N 3.13Å; T195-T199 PolarHBondContact O-OG1 3.24Å |
| 196 | L | 78.8 | Confident | 76.9 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 174 | -74.3 | 173.4 | 0 | 0 | 0 | 112.6 | M191 D192 N198 T199 A204 E207 L208 | M191-L196 HydrophobicContact CB-CD1 4.45Å; M191-L196 HydrophobicContact CB-CD2 3.72Å; M191-L196 HydrophobicContact CB-CG 3.69Å; M191-L196 HydrophobicContact CG-CD2 4.41Å; M191-L196 HydrophobicContact SD-CD2 3.98Å; D192-L196 PolarHBondContact O-N 3.04Å; L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.36Å; L196-T199 PolarHBondContact O-N 3.48Å; L196-A204 HydrophobicContact CD2-CB 3.89Å; L196-E207 HydrophobicContact CD1-CG 4.13Å; L196-E207 HydrophobicContact CD2-CB 4.41Å; L196-E207 HydrophobicContact CD2-CG 4.47Å; L196-L208 HydrophobicContact CB-CD1 3.74Å |
| 197 | W | 79.5 | Confident | 78.2 | Confident | 180 Ų | 180 | 67.5 Ų | 67.5 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -34.1 | 178.3 | -168.8 | -85.1 | 0 | 0 | 0 | 113.1 | M193 R194 T195 L208 | M193-W197 PolarHBondContact O-N 3.14Å; M193-W197 VanDerWaalsContact O-N 3.12Å; R194-W197 PolarHBondContact O-N 2.83Å; T195-W197 VanDerWaalsContact C-N 3.31Å; T195-W197 PolarHBondContact O-N 3.34Å; W197-L208 HydrophobicContact CE3-CD1 4.16Å; W197-L208 HydrophobicContact CE3-CD2 3.9Å; W197-L208 HydrophobicContact CZ3-CD2 4.11Å |
| 198 | N | 81.9 | Confident | 79.3 | Confident | 128 Ų | 128 | 66 Ų | 66 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -90.5 | -9.6 | -177.7 | -67.9 | -20.7 | 0 | 0 | 0 | 113.6 | R194 T195 L196 | R194-N198 PolarHBondContact O-N 3.33Å; T195-N198 PolarHBondContact O-N 3.26Å; L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.36Å |
| 199 | T | 79.8 | Confident | 80.4 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | trans | -97.8 | 108.4 | -174.9 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | T195 L196 T201 A204 | T195-T199 WeakPolarHBondContact O-CB 3.23Å; T195-T199 PolarHBondContact O-N 3.49Å; T195-T199 VanDerWaalsContact O-N 3.13Å; T195-T199 PolarHBondContact O-OG1 3.24Å; L196-T199 PolarHBondContact O-N 3.48Å; T199-T201 PolarHBondContact O-N 2.89Å; T199-A204 HydrophobicContact CG2-CB 3.95Å; T199-A204 WeakPolarHBondContact O-CB 3.47Å | ||
| 200 | D | 77.6 | Confident | 81.4 | Confident | 125 Ų | 125 | 63.4 Ų | 63.4 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | trans | -80.5 | 38.1 | -178.3 | -85.2 | -41.2 | 0 | 0 | 0 | 114.3 | R205 | D200-R205 IonicContact OD1-CZ 2.73Å; D200-R205 IonicContact OD1-NE 3.15Å; D200-R205 IonicContact OD1-NH2 2.6Å; D200-R205 PolarHBondContact OD1-NH2 3.01Å | ||
| 201 | T | 81.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | trans | -97.2 | 142.4 | 174.9 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | T199 R203 A204 R205 | T199-T201 PolarHBondContact O-N 2.89Å; T201-R203 HydrophobicContact CG2-CB 4.35Å; T201-R203 PolarHBondContact O-N 2.92Å; T201-A204 WeakPolarHBondContact O-CB 3.34Å; T201-A204 PolarHBondContact O-N 3.44Å; T201-R205 PolarHBondContact O-N 2.93Å | ||
| 202 | D | 82 | Confident | 83.1 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.5 | -39.1 | 179.9 | -66.4 | -26.9 | 0 | 0 | 0 | 112.9 | R205 A206 G265 | D202-R205 PolarHBondContact O-N 3Å; D202-A206 WeakPolarHBondContact O-CB 3.47Å; D202-A206 PolarHBondContact O-N 3.28Å; D202-G265 WeakPolarHBondContact OD2-CA 3.42Å |
| 203 | R | 82.8 | Confident | 83.8 | Confident | 129 Ų | 129 | 60.5 Ų | 60.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174 | -68.6 | -174.3 | 179.6 | 122.8 | 0 | 112.4 | T188 T201 A206 E207 G263 | T188-R203 HydrophobicContact CG2-CB 3.58Å; T201-R203 HydrophobicContact CG2-CB 4.35Å; T201-R203 PolarHBondContact O-N 2.92Å; R203-A206 PolarHBondContact O-N 3.38Å; R203-E207 PolarHBondContact O-N 3.2Å; R203-G263 WeakPolarHBondContact CG-O 3.43Å; R203-G263 PolarHBondContact NE-O 3.49Å |
| 204 | A | 84.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T188 L196 T199 T201 E207 L208 | T188-A204 HydrophobicContact CG2-CB 4.11Å; L196-A204 HydrophobicContact CD2-CB 3.89Å; T199-A204 HydrophobicContact CG2-CB 3.95Å; T199-A204 WeakPolarHBondContact O-CB 3.47Å; T201-A204 WeakPolarHBondContact O-CB 3.34Å; T201-A204 PolarHBondContact O-N 3.44Å; A204-E207 PolarHBondContact O-N 2.84Å; A204-L208 WeakPolarHBondContact O-CB 3.22Å; A204-L208 PolarHBondContact O-N 3Å |
| 205 | R | 84.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 50 Ų | 50 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 173.3 | -67.2 | 178.6 | 178.7 | 178.1 | 0.4 | 111.9 | D200 T201 D202 N209 P269 | D200-R205 IonicContact OD1-CZ 2.73Å; D200-R205 IonicContact OD1-NE 3.15Å; D200-R205 IonicContact OD1-NH2 2.6Å; D200-R205 PolarHBondContact OD1-NH2 3.01Å; T201-R205 PolarHBondContact O-N 2.93Å; D202-R205 PolarHBondContact O-N 3Å; R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 3.3Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.47Å; R205-P269 HydrophobicContact CB-CG 4.03Å |
| 206 | A | 87.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D202 R203 W210 P269 | D202-A206 WeakPolarHBondContact O-CB 3.47Å; D202-A206 PolarHBondContact O-N 3.28Å; R203-A206 PolarHBondContact O-N 3.38Å; A206-W210 VanDerWaalsContact O-CB 3.28Å; A206-W210 WeakPolarHBondContact O-CB 3.47Å; A206-W210 PolarHBondContact O-N 3.33Å; A206-P269 HydrophobicContact CB-CB 3.86Å; A206-P269 HydrophobicContact CB-CG 4Å |
| 207 | E | 86.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 179.4 | -177.7 | 56.6 | -164.3 | 0 | 0 | 112.2 | L196 R203 A204 N209 W210 R211 K259 | L196-E207 HydrophobicContact CD1-CG 4.13Å; L196-E207 HydrophobicContact CD2-CB 4.41Å; L196-E207 HydrophobicContact CD2-CG 4.47Å; R203-E207 PolarHBondContact O-N 3.2Å; A204-E207 PolarHBondContact O-N 2.84Å; E207-N209 PolarHBondContact O-N 3.27Å; E207-W210 WeakPolarHBondContact O-CB 3.46Å; E207-W210 PolarHBondContact O-N 3.01Å; E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3.23Å; E207-R211 PolarHBondContact O-N 3.28Å; E207-R211 IonicContact OE1-CZ 2.72Å; E207-R211 IonicContact OE1-NE 3.54Å; E207-R211 PolarHBondContact OE1-NE 2.92Å; E207-R211 IonicContact OE1-NH2 3.51Å; E207-R211 PolarHBondContact OE1-NH2 3.38Å; E207-K259 WeakPolarHBondContact OE2-CE 3.43Å; E207-K259 IonicContact OE2-NZ 2.74Å; E207-K259 PolarHBondContact OE2-NZ 3.46Å |
| 208 | L | 88.2 | Confident | 87.2 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -50.1 | 174.5 | -171.2 | 96.4 | 0 | 0 | 0 | 111.6 | M193 L196 W197 A204 W210 R211 I212 | M193-L208 HydrophobicContact CE-CD1 3.39Å; M193-L208 HydrophobicContact CE-CG 3.92Å; M193-L208 HydrophobicContact SD-CD1 3.71Å; L196-L208 HydrophobicContact CB-CD1 3.74Å; W197-L208 HydrophobicContact CE3-CD1 4.16Å; W197-L208 HydrophobicContact CE3-CD2 3.9Å; W197-L208 HydrophobicContact CZ3-CD2 4.11Å; A204-L208 WeakPolarHBondContact O-CB 3.22Å; A204-L208 PolarHBondContact O-N 3Å; L208-W210 VanDerWaalsContact C-N 3.33Å; L208-W210 PolarHBondContact O-N 3.23Å; L208-R211 PolarHBondContact O-N 2.97Å; L208-I212 HydrophobicContact CD2-CD1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.22Å; L208-I212 WeakPolarHBondContact O-CG1 3.33Å; L208-I212 PolarHBondContact O-N 3.42Å; L208-I212 VanDerWaalsContact O-N 3.07Å |
| 209 | N | 90.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -35.4 | 179.7 | -77.7 | -70.3 | 0 | 0 | 0 | 112.1 | R205 E207 T213 T270 M273 W274 | R205-N209 WeakPolarHBondContact O-CB 3.38Å; R205-N209 PolarHBondContact O-N 3.3Å; R205-N209 VanDerWaalsContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.47Å; E207-N209 PolarHBondContact O-N 3.27Å; N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.21Å; N209-T213 PolarHBondContact O-OG1 2.92Å; N209-T270 PolarHBondContact ND2-OG1 3.12Å; N209-M273 HydrophobicContact CB-SD 3.47Å; N209-M273 WeakPolarHBondContact CB-SD 3.41Å; N209-W274 PolarHBondContact OD1-NE1 3.42Å |
| 210 | W | 89.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.5 | 172 | -104.6 | 0 | 0 | 0 | 111.5 | L4 A206 E207 L208 I212 T213 L214 F252 Q255 K259 M273 | L4-W210 HydrophobicContact CD2-CH2 4.35Å; L4-W210 HydrophobicContact CD2-CZ2 4.05Å; A206-W210 VanDerWaalsContact O-CB 3.28Å; A206-W210 WeakPolarHBondContact O-CB 3.47Å; A206-W210 PolarHBondContact O-N 3.33Å; E207-W210 WeakPolarHBondContact O-CB 3.46Å; E207-W210 PolarHBondContact O-N 3.01Å; L208-W210 VanDerWaalsContact C-N 3.33Å; L208-W210 PolarHBondContact O-N 3.23Å; W210-I212 PolarHBondContact O-N 3.48Å; W210-T213 WeakPolarHBondContact O-CB 3.49Å; W210-T213 PolarHBondContact O-N 2.92Å; W210-L214 HydrophobicContact CZ2-CD1 4.39Å; W210-L214 HydrophobicContact CZ2-CD2 4.03Å; W210-L214 HydrophobicContact CZ2-CG 4.38Å; W210-L214 WeakPolarHBondContact O-CG 3.46Å; W210-L214 PolarHBondContact O-N 2.92Å; W210-F252 HydrophobicContact CH2-CD1 4.37Å; W210-Q255 HydrophobicContact CE3-CB 4.23Å; W210-Q255 HydrophobicContact CZ3-CB 3.62Å; W210-K259 HydrophobicContact CB-CD 4.16Å; W210-K259 HydrophobicContact CB-CG 4.48Å; W210-K259 HydrophobicContact CD2-CD 3.95Å; W210-K259 HydrophobicContact CE3-CB 4.19Å; W210-K259 HydrophobicContact CE3-CD 4.43Å; W210-K259 HydrophobicContact CG-CD 3.8Å; W210-M273 HydrophobicContact CB-CE 4.3Å |
| 211 | R | 89.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 177.6 | -74.3 | -172.9 | -174 | -173.9 | 7.1 | 112.6 | V59 D189 M191 E207 L208 L214 | V59-R211 HydrophobicContact CG1-CB 3.35Å; V59-R211 HydrophobicContact CG1-CG 3.45Å; V59-R211 VanDerWaalsContact CG1-CG 3.45Å; D189-R211 PolarHBondContact O-NH2 3.43Å; M191-R211 PolarHBondContact O-NH1 3.33Å; M191-R211 PolarHBondContact O-NH2 3.46Å; E207-R211 WeakPolarHBondContact O-CB 3.41Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3.23Å; E207-R211 PolarHBondContact O-N 3.28Å; E207-R211 IonicContact OE1-CZ 2.72Å; E207-R211 IonicContact OE1-NE 3.54Å; E207-R211 PolarHBondContact OE1-NE 2.92Å; E207-R211 IonicContact OE1-NH2 3.51Å; E207-R211 PolarHBondContact OE1-NH2 3.38Å; L208-R211 PolarHBondContact O-N 2.97Å; R211-L214 PolarHBondContact O-N 2.86Å |
| 212 | I | 91 | Very high | 89.6 | Confident | 53 Ų | 53 | 26.7 Ų | 26.7 | 27% | 0.272 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.3 | -43 | 176.2 | -65.6 | 167.4 | 0 | 0 | 0 | 110.6 | M193 L208 W210 L214 V215 F216 W274 | M193-I212 HydrophobicContact CE-CD1 4.08Å; M193-I212 HydrophobicContact CE-CG1 3.94Å; L208-I212 HydrophobicContact CD2-CD1 4.34Å; L208-I212 HydrophobicContact CG-CD1 4.22Å; L208-I212 WeakPolarHBondContact O-CG1 3.33Å; L208-I212 PolarHBondContact O-N 3.42Å; L208-I212 VanDerWaalsContact O-N 3.07Å; W210-I212 PolarHBondContact O-N 3.48Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.1Å; I212-V215 PolarHBondContact O-N 3.4Å; I212-F216 WeakPolarHBondContact O-CB 3.13Å; I212-F216 PolarHBondContact O-N 3.26Å; I212-W274 HydrophobicContact CG2-CH2 4.32Å; I212-W274 HydrophobicContact CG2-CZ2 3.88Å |
| 213 | T | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | N209 W210 V215 F216 T217 F251 Q255 N277 | N209-T213 WeakPolarHBondContact O-CB 3.46Å; N209-T213 PolarHBondContact O-N 3.21Å; N209-T213 PolarHBondContact O-OG1 2.92Å; W210-T213 WeakPolarHBondContact O-CB 3.49Å; W210-T213 PolarHBondContact O-N 2.92Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.86Å; T213-F216 PolarHBondContact O-N 3.4Å; T213-T217 VanDerWaalsContact O-CB 3.32Å; T213-T217 WeakPolarHBondContact O-CB 3.28Å; T213-T217 PolarHBondContact O-N 3.32Å; T213-T217 PolarHBondContact O-OG1 2.76Å; T213-F251 HydrophobicContact CG2-CE1 4.47Å; T213-F251 HydrophobicContact CG2-CZ 3.93Å; T213-Q255 HydrophobicContact CG2-CG 4.19Å; T213-N277 WeakPolarHBondContact CG2-ND2 3.4Å; T213-N277 WeakPolarHBondContact CG2-OD1 3.26Å; T213-N277 PolarHBondContact OG1-ND2 2.93Å |
| 214 | L | 89.8 | Confident | 90.6 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.7 | -75 | 172.6 | 0 | 0 | 0 | 112.7 | Q3 V59 W210 R211 I212 F252 | Q3-L214 HydrophobicContact CB-CD1 3.92Å; Q3-L214 HydrophobicContact CG-CD1 4.31Å; V59-L214 HydrophobicContact CG2-CD1 4.26Å; W210-L214 HydrophobicContact CZ2-CD1 4.39Å; W210-L214 HydrophobicContact CZ2-CD2 4.03Å; W210-L214 HydrophobicContact CZ2-CG 4.38Å; W210-L214 WeakPolarHBondContact O-CG 3.46Å; W210-L214 PolarHBondContact O-N 2.92Å; R211-L214 PolarHBondContact O-N 2.86Å; I212-L214 VanDerWaalsContact C-N 3.31Å; I212-L214 PolarHBondContact O-N 3.1Å; L214-F252 HydrophobicContact CD2-CE1 3.91Å; L214-F252 HydrophobicContact CD2-CZ 4.39Å |
| 215 | V | 92.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 18.8 Ų | 18.8 | 20% | 0.2 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.7 | -43.3 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | A52 A56 I212 T213 T217 V218 | A52-V215 HydrophobicContact CB-CG1 4.27Å; A56-V215 HydrophobicContact CB-CG1 4.21Å; A56-V215 HydrophobicContact CB-CG2 4.01Å; I212-V215 PolarHBondContact O-N 3.4Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.86Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.84Å; V215-V218 WeakPolarHBondContact O-CB 3.26Å; V215-V218 PolarHBondContact O-N 3.39Å |
| 216 | F | 93 | Very high | 91.2 | Very high | 53 Ų | 53 | 14.2 Ų | 14.2 | 23% | 0.232 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -35.4 | 178.1 | -172.3 | -105.7 | 0 | 0 | 0 | 112.9 | I212 T213 V218 F219 M220 N277 L281 | I212-F216 WeakPolarHBondContact O-CB 3.13Å; I212-F216 PolarHBondContact O-N 3.26Å; T213-F216 PolarHBondContact O-N 3.4Å; F216-V218 PolarHBondContact O-N 3.21Å; F216-F219 PolarHBondContact O-N 3.39Å; F216-F219 VanDerWaalsContact O-N 3.15Å; F216-M220 HydrophobicContact CD1-CE 3.75Å; F216-M220 HydrophobicContact CE1-CE 3.56Å; F216-M220 PolarHBondContact O-N 3.3Å; F216-M220 VanDerWaalsContact O-N 3.12Å; F216-N277 HydrophobicContact CD1-CB 4.05Å; F216-N277 HydrophobicContact CE1-CB 3.96Å; F216-L281 HydrophobicContact CZ-CD1 4.31Å; F216-L281 HydrophobicContact CZ-CD2 4.22Å |
| 217 | T | 92.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.5 | -34.3 | 179.9 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | P7 T213 V215 F219 M220 M221 F251 F252 | P7-T217 HydrophobicContact CB-CG2 4.34Å; T213-T217 VanDerWaalsContact O-CB 3.32Å; T213-T217 WeakPolarHBondContact O-CB 3.28Å; T213-T217 PolarHBondContact O-N 3.32Å; T213-T217 PolarHBondContact O-OG1 2.76Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.84Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.36Å; T217-M220 PolarHBondContact O-N 3.4Å; T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-CG 3.64Å; T217-M221 VanDerWaalsContact O-CB 3.27Å; T217-M221 WeakPolarHBondContact O-CB 3.25Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.27Å; T217-M221 PolarHBondContact O-N 2.61Å; T217-F251 HydrophobicContact CG2-CD1 4.03Å; T217-F251 HydrophobicContact CG2-CE1 3.46Å; T217-F251 VanDerWaalsContact CG2-CE1 3.46Å; T217-F251 HydrophobicContact CG2-CZ 4.14Å; T217-F251 WeakPolarHBondContact OG1-CE1 3.37Å; T217-F251 VanDerWaalsContact OG1-CZ 3.29Å; T217-F251 WeakPolarHBondContact OG1-CZ 3.42Å; T217-F252 HydrophobicContact CG2-CE2 3.93Å; T217-F252 HydrophobicContact CG2-CZ 4.06Å |
| 218 | V | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | P7 L10 A48 T51 A52 A55 V215 F216 A222 | P7-V218 HydrophobicContact CB-CG2 4.19Å; P7-V218 HydrophobicContact CG-CG2 3.97Å; L10-V218 HydrophobicContact CD2-CG1 3.56Å; A48-V218 HydrophobicContact CB-CG1 4.26Å; A48-V218 WeakPolarHBondContact O-CG1 3.24Å; T51-V218 HydrophobicContact CG2-CG1 3.92Å; A52-V218 HydrophobicContact CB-CB 4.24Å; A52-V218 HydrophobicContact CB-CG1 4.12Å; A55-V218 HydrophobicContact CB-CG2 4.29Å; V215-V218 WeakPolarHBondContact O-CB 3.26Å; V215-V218 PolarHBondContact O-N 3.39Å; F216-V218 PolarHBondContact O-N 3.21Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.29Å; V218-A222 PolarHBondContact O-N 2.76Å; V218-A222 VanDerWaalsContact O-N 3.1Å |
| 219 | F | 94 | Very high | 91.3 | Very high | 61 Ų | 61 | 15.9 Ų | 15.9 | 27% | 0.268 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -68.8 | -46.4 | 178.5 | -65.8 | -71.8 | 0 | 0 | 0 | 112.3 | M45 A48 V49 A52 F216 T217 M221 A222 L223 | M45-F219 HydrophobicContact CE-CB 4.43Å; M45-F219 HydrophobicContact CE-CD1 3.6Å; M45-F219 HydrophobicContact CE-CE1 4.35Å; M45-F219 HydrophobicContact CE-CG 4.45Å; A48-F219 HydrophobicContact CB-CD1 3.88Å; A48-F219 HydrophobicContact CB-CE1 4.26Å; V49-F219 HydrophobicContact CB-CE1 4.47Å; V49-F219 HydrophobicContact CG2-CE1 3.77Å; V49-F219 HydrophobicContact CG2-CZ 4.36Å; A52-F219 HydrophobicContact CB-CD2 4.23Å; A52-F219 HydrophobicContact CB-CE1 4.25Å; A52-F219 HydrophobicContact CB-CE2 3.41Å; A52-F219 VanDerWaalsContact CB-CE2 3.41Å; A52-F219 HydrophobicContact CB-CZ 3.43Å; A52-F219 VanDerWaalsContact CB-CZ 3.43Å; F216-F219 PolarHBondContact O-N 3.39Å; F216-F219 VanDerWaalsContact O-N 3.15Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.36Å; F219-M221 PolarHBondContact O-N 2.99Å; F219-A222 PolarHBondContact O-N 3Å; F219-L223 WeakPolarHBondContact O-CB 3.34Å; F219-L223 PolarHBondContact O-N 3.47Å |
| 220 | M | 92.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | -179.5 | 178.4 | -154.7 | -71.9 | 0 | 0 | 111.7 | F216 T217 L223 M224 F251 N277 Y280 | F216-M220 HydrophobicContact CD1-CE 3.75Å; F216-M220 HydrophobicContact CE1-CE 3.56Å; F216-M220 PolarHBondContact O-N 3.3Å; F216-M220 VanDerWaalsContact O-N 3.12Å; T217-M220 PolarHBondContact O-N 3.4Å; M220-L223 PolarHBondContact O-N 3.31Å; M220-M224 VanDerWaalsContact O-CB 3.32Å; M220-M224 WeakPolarHBondContact O-CB 3.39Å; M220-M224 PolarHBondContact O-N 3.41Å; M220-F251 HydrophobicContact CE-CE2 3.85Å; M220-F251 HydrophobicContact CE-CZ 4.19Å; M220-F251 HydrophobicContact SD-CD2 4.18Å; M220-F251 HydrophobicContact SD-CE2 3.73Å; M220-F251 HydrophobicContact SD-CZ 4.14Å; M220-N277 HydrophobicContact CE-CB 3.92Å; M220-N277 VanDerWaalsContact CE-O 3.3Å; M220-N277 WeakPolarHBondContact CE-O 3.26Å; M220-Y280 WeakPolarHBondContact SD-CB 3.5Å; M220-Y280 HydrophobicContact SD-CD1 4.24Å; M220-Y280 HydrophobicContact SD-CG 4.07Å |
| 221 | M | 92.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.4 | -37.2 | -179.3 | -67.9 | -62.2 | 173.1 | 0 | 0 | 111.8 | F11 T217 F219 L223 M224 V225 Y248 F251 Y280 | F11-M221 HydrophobicContact CD2-CB 4.02Å; T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-CG 3.64Å; T217-M221 VanDerWaalsContact O-CB 3.27Å; T217-M221 WeakPolarHBondContact O-CB 3.25Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.27Å; T217-M221 PolarHBondContact O-N 2.61Å; F219-M221 PolarHBondContact O-N 2.99Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.92Å; M221-M224 PolarHBondContact O-N 3.25Å; M221-M224 HydrophobicContact SD-SD 4.49Å; M221-V225 WeakPolarHBondContact O-CB 3.48Å; M221-V225 PolarHBondContact O-N 2.85Å; M221-Y248 HydrophobicContact CE-CD2 4.06Å; M221-Y248 HydrophobicContact CG-CD2 3.95Å; M221-Y248 HydrophobicContact CG-CE2 4.11Å; M221-Y248 HydrophobicContact SD-CD2 3.74Å; M221-Y248 HydrophobicContact SD-CE2 4.47Å; M221-F251 HydrophobicContact CE-CB 3.57Å; M221-F251 HydrophobicContact CE-CD1 3.51Å; M221-F251 HydrophobicContact CE-CD2 4.12Å; M221-F251 HydrophobicContact CE-CE1 4.23Å; M221-F251 HydrophobicContact CE-CG 3.44Å; M221-F251 VanDerWaalsContact CE-CG 3.44Å; M221-Y280 HydrophobicContact CE-CD1 4.49Å |
| 222 | A | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -34.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L10 L14 A48 V218 F219 V225 | L10-A222 HydrophobicContact CD2-CB 4.12Å; L14-A222 HydrophobicContact CD1-CB 4.01Å; A48-A222 HydrophobicContact CB-CB 3.6Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.29Å; V218-A222 PolarHBondContact O-N 2.76Å; V218-A222 VanDerWaalsContact O-N 3.1Å; F219-A222 PolarHBondContact O-N 3Å; A222-V225 WeakPolarHBondContact O-CG1 3.34Å |
| 223 | L | 93.2 | Very high | 88.7 | Confident | 30 Ų | 30 | 24.5 Ų | 24.5 | 16% | 0.157 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 173.9 | -175.1 | 63.8 | 0 | 0 | 0 | 111.7 | V41 F219 M220 M221 P227 L281 A284 I285 N288 | V41-L223 HydrophobicContact CG1-CD1 3.73Å; F219-L223 WeakPolarHBondContact O-CB 3.34Å; F219-L223 PolarHBondContact O-N 3.47Å; M220-L223 PolarHBondContact O-N 3.31Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.92Å; L223-P227 WeakPolarHBondContact O-CD 3.49Å; L223-L281 HydrophobicContact CD2-CD1 4.45Å; L223-A284 HydrophobicContact CB-CB 4.42Å; L223-A284 HydrophobicContact CD2-CB 4Å; L223-A284 HydrophobicContact CG-CB 4.12Å; L223-I285 HydrophobicContact CD2-CG1 4.24Å; L223-N288 PolarHBondContact O-ND2 3.05Å |
| 224 | M | 91.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.1 | -33.5 | -175.9 | -168.4 | 169.7 | 179.7 | 0 | 0 | 113.3 | M220 M221 V226 P227 L228 L247 Y280 L283 A284 | M220-M224 VanDerWaalsContact O-CB 3.32Å; M220-M224 WeakPolarHBondContact O-CB 3.39Å; M220-M224 PolarHBondContact O-N 3.41Å; M221-M224 PolarHBondContact O-N 3.25Å; M221-M224 HydrophobicContact SD-SD 4.49Å; M224-V226 VanDerWaalsContact C-N 3.34Å; M224-V226 PolarHBondContact O-N 3.25Å; M224-P227 VanDerWaalsContact O-CD 3.3Å; M224-P227 WeakPolarHBondContact O-CD 3.34Å; M224-P227 WeakPolarHBondContact O-CG 3.13Å; M224-L228 HydrophobicContact CE-CD1 4.1Å; M224-L228 HydrophobicContact CG-CD1 3.86Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L247 HydrophobicContact CE-CB 3.68Å; M224-L247 HydrophobicContact CE-CD1 3.37Å; M224-L247 HydrophobicContact CE-CD2 4.06Å; M224-L247 HydrophobicContact CE-CG 3.87Å; M224-Y280 HydrophobicContact CE-CD1 4.36Å; M224-Y280 HydrophobicContact CE-CE1 4.41Å; M224-Y280 HydrophobicContact SD-CD1 3.99Å; M224-Y280 HydrophobicContact SD-CE1 4.44Å; M224-L283 HydrophobicContact CE-CD2 3.7Å; M224-L283 HydrophobicContact CE-CG 4.34Å; M224-A284 HydrophobicContact CB-CB 3.97Å; M224-A284 HydrophobicContact CG-CB 4.37Å |
| 225 | V | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -29.7 | -177.3 | 76 | 0 | 0 | 0 | 0 | 113 | F11 L14 L15 M221 A222 L228 S229 | F11-V225 HydrophobicContact CD2-CB 3.93Å; F11-V225 HydrophobicContact CD2-CG2 4Å; F11-V225 HydrophobicContact CE2-CB 3.89Å; F11-V225 HydrophobicContact CE2-CG2 3.88Å; L14-V225 HydrophobicContact CB-CG1 3.66Å; L14-V225 HydrophobicContact CB-CG2 4.33Å; L14-V225 HydrophobicContact CD1-CG1 3.69Å; L14-V225 HydrophobicContact CG-CG1 4.31Å; L15-V225 HydrophobicContact CB-CG2 3.69Å; L15-V225 HydrophobicContact CD1-CG2 3.71Å; L15-V225 HydrophobicContact CG-CG2 4.26Å; M221-V225 WeakPolarHBondContact O-CB 3.48Å; M221-V225 PolarHBondContact O-N 2.85Å; A222-V225 WeakPolarHBondContact O-CG1 3.34Å; V225-L228 PolarHBondContact O-N 3.38Å; V225-S229 VanDerWaalsContact O-CB 3.28Å; V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.22Å; V225-S229 PolarHBondContact O-OG 3.33Å |
| 226 | V | 90.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -55.1 | -176.9 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | L18 L40 V41 A44 M224 L228 S229 | L18-V226 HydrophobicContact CD1-CG2 4.32Å; L40-V226 HydrophobicContact CB-CG1 3.98Å; V41-V226 HydrophobicContact CG2-CB 4.25Å; V41-V226 HydrophobicContact CG2-CG1 3.83Å; V41-V226 HydrophobicContact CG2-CG2 4.31Å; A44-V226 HydrophobicContact CB-CG2 3.77Å; M224-V226 VanDerWaalsContact C-N 3.34Å; M224-V226 PolarHBondContact O-N 3.25Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.17Å; V226-S229 PolarHBondContact O-OG 2.99Å |
| 227 | P | 88 | Confident | 84.9 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.4 | -28.2 | 177.2 | 27.5 | -35.7 | 0 | 0 | 0 | 113.3 | L223 M224 S229 V230 L287 | L223-P227 WeakPolarHBondContact O-CD 3.49Å; M224-P227 VanDerWaalsContact O-CD 3.3Å; M224-P227 WeakPolarHBondContact O-CD 3.34Å; M224-P227 WeakPolarHBondContact O-CG 3.13Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; P227-L287 HydrophobicContact CB-CB 4.25Å; P227-L287 HydrophobicContact CG-CB 3.8Å |
| 228 | L | 88.6 | Confident | 84.3 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -81.3 | -13.1 | -178.5 | -66.6 | 175.9 | 0 | 0 | 0 | 113.8 | M224 V225 V226 V230 A244 L247 L287 | M224-L228 HydrophobicContact CE-CD1 4.1Å; M224-L228 HydrophobicContact CG-CD1 3.86Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; V225-L228 PolarHBondContact O-N 3.38Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.17Å; L228-V230 PolarHBondContact O-N 3.28Å; L228-A244 HydrophobicContact CB-CB 3.96Å; L228-A244 HydrophobicContact CD1-CB 3.97Å; L228-L247 HydrophobicContact CD1-CD1 4.01Å; L228-L287 HydrophobicContact CD2-CD1 4.35Å; L228-L287 HydrophobicContact CG-CD1 4.45Å |
| 229 | S | 86.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.8 | 179.9 | 66.9 | 0 | 0 | 0 | 0 | 114.7 | L18 Y22 V225 V226 P227 V231 | L18-S229 WeakPolarHBondContact CB-OG 3.24Å; L18-S229 WeakPolarHBondContact CD1-OG 3.38Å; Y22-S229 WeakPolarHBondContact CD2-O 3.49Å; V225-S229 VanDerWaalsContact O-CB 3.28Å; V225-S229 WeakPolarHBondContact O-CB 3.32Å; V225-S229 PolarHBondContact O-N 3.22Å; V225-S229 PolarHBondContact O-OG 3.33Å; V226-S229 PolarHBondContact O-OG 2.99Å; P227-S229 VanDerWaalsContact C-N 3.35Å; S229-V231 PolarHBondContact O-N 3.43Å; S229-V231 VanDerWaalsContact O-N 3.13Å |
| 230 | V | 83 | Confident | 83.1 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | trans | -70.2 | 109.4 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | Y22 P227 L228 | Y22-V230 HydrophobicContact CE1-CG1 4.3Å; Y22-V230 HydrophobicContact CE1-CG2 4.16Å; Y22-V230 HydrophobicContact CE2-CG2 4Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; L228-V230 PolarHBondContact O-N 3.28Å | ||
| 231 | V | 79.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | trans | -98.5 | 126.1 | 177.1 | -178 | 0 | 0 | 0 | 0 | 109.1 | T23 S229 | T23-V231 HydrophobicContact CG2-CB 4.3Å; T23-V231 HydrophobicContact CG2-CG1 4.07Å; S229-V231 PolarHBondContact O-N 3.43Å; S229-V231 VanDerWaalsContact O-N 3.13Å | ||
| 232 | N | 74.7 | Confident | 82.7 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | trans | -74.6 | 126.5 | 167.5 | -73.7 | -43.6 | 0 | 0 | 0 | 108.2 | R234 Q235 | N232-R234 PolarHBondContact O-N 2.92Å; N232-Q235 HydrophobicContact CB-CB 4.28Å; N232-Q235 HydrophobicContact CB-CG 4.25Å; N232-Q235 PolarHBondContact ND2-OE1 2.99Å; N232-Q235 PolarHBondContact O-N 3.15Å | ||
| 233 | P | 68.7 | Low | 82.6 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 72% | 0.721 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -20.4 | -178.7 | -28 | 34.6 | 0 | 0 | 0 | 114.8 | ||
| 234 | R | 71.1 | Confident | 82.5 | Confident | 249 Ų | 249 | 59 Ų | 59 | 94% | 0.94 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -14 | -179.9 | -54.1 | 178.6 | 101.7 | 169.7 | 5.4 | 113.7 | N232 | N232-R234 PolarHBondContact O-N 2.92Š|
| 235 | Q | 69.1 | Low | 82.5 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -103.8 | 128.8 | 176 | -67.9 | 174.6 | -5 | 0 | 0 | 107.8 | N232 R237 | N232-Q235 HydrophobicContact CB-CB 4.28Å; N232-Q235 HydrophobicContact CB-CG 4.25Å; N232-Q235 PolarHBondContact ND2-OE1 2.99Å; N232-Q235 PolarHBondContact O-N 3.15Å; Q235-R237 PolarHBondContact O-N 3.05Å |
| 236 | G | 72.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | trans | -53.2 | 138.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V238 L239 S240 | G236-V238 PolarHBondContact O-N 3.24Å; G236-V238 VanDerWaalsContact O-N 3.08Å; G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 3.4Å; G236-S240 PolarHBondContact O-N 2.88Å | ||
| 237 | R | 76.4 | Confident | 82.8 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -45.8 | -45.7 | -174.9 | -175.7 | -176 | -66 | 167.1 | -0.5 | 113 | Q235 M241 | Q235-R237 PolarHBondContact O-N 3.05Å; R237-M241 HydrophobicContact CG-CE 3.48Å; R237-M241 VanDerWaalsContact CG-CE 3.48Å; R237-M241 HydrophobicContact CG-SD 4.17Å; R237-M241 VanDerWaalsContact O-CG 3.26Å; R237-M241 WeakPolarHBondContact O-CG 3.19Å; R237-M241 PolarHBondContact O-N 2.96Å |
| 238 | V | 80.7 | Confident | 83 | Confident | 105 Ų | 105 | 68.8 Ų | 68.8 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | G236 M241 L242 | G236-V238 PolarHBondContact O-N 3.24Å; G236-V238 VanDerWaalsContact O-N 3.08Å; V238-M241 PolarHBondContact O-N 2.87Å; V238-L242 PolarHBondContact O-N 2.87Å; V238-L242 VanDerWaalsContact O-N 3.14Å |
| 239 | L | 83.5 | Confident | 83.2 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 58% | 0.581 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | -178.8 | -174.4 | 61.7 | 0 | 0 | 0 | 111.3 | G236 M241 L242 | G236-L239 WeakPolarHBondContact O-CB 3.47Å; G236-L239 PolarHBondContact O-N 3.4Å; L239-M241 PolarHBondContact O-N 3.31Å; L239-L242 HydrophobicContact CD1-CD1 4.32Å; L239-L242 WeakPolarHBondContact O-CB 3.22Å; L239-L242 PolarHBondContact O-N 3.38Å |
| 240 | S | 78.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.4 | -25.6 | 174.3 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | G236 | G236-S240 PolarHBondContact O-N 2.88Å |
| 241 | M | 86.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 6% | 0.064 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -82.8 | -18.9 | 177.4 | -69.8 | 177.7 | -178.2 | 0 | 0 | 113.4 | L15 R237 V238 L239 A244 M245 | L15-M241 HydrophobicContact CD1-CG 4.09Å; L15-M241 HydrophobicContact CD2-CB 3.7Å; L15-M241 HydrophobicContact CD2-CG 3.72Å; L15-M241 HydrophobicContact CD2-SD 4.11Å; L15-M241 HydrophobicContact CG-CB 4.23Å; L15-M241 HydrophobicContact CG-CE 4.25Å; L15-M241 HydrophobicContact CG-CG 3.68Å; L15-M241 HydrophobicContact CG-SD 3.97Å; L15-M241 WeakPolarHBondContact O-CE 3.16Å; R237-M241 HydrophobicContact CG-CE 3.48Å; R237-M241 VanDerWaalsContact CG-CE 3.48Å; R237-M241 HydrophobicContact CG-SD 4.17Å; R237-M241 VanDerWaalsContact O-CG 3.26Å; R237-M241 WeakPolarHBondContact O-CG 3.19Å; R237-M241 PolarHBondContact O-N 2.96Å; V238-M241 PolarHBondContact O-N 2.87Å; L239-M241 PolarHBondContact O-N 3.31Å; M241-A244 WeakPolarHBondContact O-CB 3.2Å; M241-A244 PolarHBondContact O-N 3.03Å; M241-A244 VanDerWaalsContact O-N 3.12Å; M241-M245 HydrophobicContact CB-CE 4.13Å; M241-M245 PolarHBondContact O-N 3.17Å |
| 242 | L | 89.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | -173.5 | -165.3 | 155.3 | 0 | 0 | 0 | 113.6 | V238 L239 A244 M245 L246 | V238-L242 PolarHBondContact O-N 2.87Å; V238-L242 VanDerWaalsContact O-N 3.14Å; L239-L242 HydrophobicContact CD1-CD1 4.32Å; L239-L242 WeakPolarHBondContact O-CB 3.22Å; L239-L242 PolarHBondContact O-N 3.38Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.43Å; L242-M245 HydrophobicContact CB-CE 4.37Å; L242-M245 PolarHBondContact O-N 3.13Å; L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 3.8Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.08Å |
| 243 | P | 89.5 | Confident | 85.8 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 176.8 | -23.1 | 34.4 | 0 | 0 | 0 | 112.7 | L246 L247 | P243-L246 PolarHBondContact O-N 3.24Å; P243-L247 WeakPolarHBondContact O-CD1 3.38Å; P243-L247 VanDerWaalsContact O-CG 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.42Å; P243-L247 PolarHBondContact O-N 3.46Å |
| 244 | A | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F11 L15 L228 M241 L242 L246 L247 Y248 | F11-A244 HydrophobicContact CZ-CB 3.71Å; F11-A244 WeakPolarHBondContact CZ-O 3.3Å; L15-A244 HydrophobicContact CD1-CB 4.12Å; L15-A244 HydrophobicContact CD2-CB 4.22Å; L228-A244 HydrophobicContact CB-CB 3.96Å; L228-A244 HydrophobicContact CD1-CB 3.97Å; M241-A244 WeakPolarHBondContact O-CB 3.2Å; M241-A244 PolarHBondContact O-N 3.03Å; M241-A244 VanDerWaalsContact O-N 3.12Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 3.43Å; A244-L246 PolarHBondContact O-N 3.02Å; A244-L247 PolarHBondContact O-N 2.91Å; A244-Y248 PolarHBondContact O-N 3.44Å |
| 245 | M | 92.3 | Very high | 88.1 | Confident | 69 Ų | 69 | 60 Ų | 60 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.9 | -67.1 | -173.1 | -68.8 | 0 | 0 | 112.3 | L12 L15 M241 L242 Y248 L249 | L12-M245 HydrophobicContact CD2-CG 4.44Å; L12-M245 HydrophobicContact CD2-SD 4.49Å; L15-M245 HydrophobicContact CD2-CG 4.39Å; M241-M245 HydrophobicContact CB-CE 4.13Å; M241-M245 PolarHBondContact O-N 3.17Å; L242-M245 HydrophobicContact CB-CE 4.37Å; L242-M245 PolarHBondContact O-N 3.13Å; M245-Y248 PolarHBondContact O-N 2.79Å; M245-L249 WeakPolarHBondContact O-CB 3.2Å; M245-L249 PolarHBondContact O-N 2.92Å |
| 246 | L | 94 | Very high | 89.1 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.7 | -75.1 | -177.6 | 0 | 0 | 0 | 112.3 | L242 P243 A244 Y248 L249 L250 | L242-L246 HydrophobicContact CD2-CD1 3.42Å; L242-L246 VanDerWaalsContact CD2-CD1 3.42Å; L242-L246 HydrophobicContact CD2-CG 3.8Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.08Å; P243-L246 PolarHBondContact O-N 3.24Å; A244-L246 PolarHBondContact O-N 3.02Å; L246-Y248 VanDerWaalsContact C-N 3.34Å; L246-L249 PolarHBondContact O-N 3.13Å; L246-L250 VanDerWaalsContact O-CB 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 2.88Å |
| 247 | L | 93.5 | Very high | 90.1 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.7 | -74.4 | 163.3 | 0 | 0 | 0 | 111.6 | M224 L228 P243 A244 F251 Y280 L283 | M224-L247 HydrophobicContact CE-CB 3.68Å; M224-L247 HydrophobicContact CE-CD1 3.37Å; M224-L247 HydrophobicContact CE-CD2 4.06Å; M224-L247 HydrophobicContact CE-CG 3.87Å; L228-L247 HydrophobicContact CD1-CD1 4.01Å; P243-L247 WeakPolarHBondContact O-CD1 3.38Å; P243-L247 VanDerWaalsContact O-CG 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.42Å; P243-L247 PolarHBondContact O-N 3.46Å; A244-L247 PolarHBondContact O-N 2.91Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.33Å; L247-Y280 PolarHBondContact O-OH 3.38Å; L247-L283 HydrophobicContact CD2-CD2 4.37Å |
| 248 | Y | 93 | Very high | 90.9 | Very high | 20 Ų | 20 | 54 Ų | 54 | 8% | 0.078 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 173.2 | -176 | -83.1 | 0 | 0 | 0 | 111.6 | L4 P7 L8 F11 M221 A244 M245 L246 L250 F251 F252 | L4-Y248 PolarHBondContact O-OH 2.84Å; P7-Y248 HydrophobicContact CB-CE2 4.45Å; L8-Y248 WeakPolarHBondContact CA-OH 3.24Å; L8-Y248 HydrophobicContact CB-CE1 4.23Å; L8-Y248 VanDerWaalsContact CB-OH 3.31Å; L8-Y248 WeakPolarHBondContact CB-OH 3.46Å; L8-Y248 HydrophobicContact CD1-CD1 3.98Å; L8-Y248 HydrophobicContact CD1-CE1 3.58Å; L8-Y248 HydrophobicContact CD1-CE2 4.45Å; L8-Y248 HydrophobicContact CG-CE1 4.4Å; L8-Y248 PolarHBondContact N-OH 3.44Å; L8-Y248 VanDerWaalsContact N-OH 3.09Å; F11-Y248 HydrophobicContact CB-CD2 4.26Å; F11-Y248 HydrophobicContact CB-CE2 4.22Å; F11-Y248 AromaticContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CD2 3.9Å; F11-Y248 HydrophobicContact CD1-CG 4.19Å; F11-Y248 HydrophobicContact CD2-CD2 4.26Å; F11-Y248 HydrophobicContact CE1-CD2 4.3Å; F11-Y248 HydrophobicContact CE1-CG 4.26Å; F11-Y248 AromaticContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CD2 3.88Å; F11-Y248 HydrophobicContact CG-CE2 4.34Å; M221-Y248 HydrophobicContact CE-CD2 4.06Å; M221-Y248 HydrophobicContact CG-CD2 3.95Å; M221-Y248 HydrophobicContact CG-CE2 4.11Å; M221-Y248 HydrophobicContact SD-CD2 3.74Å; M221-Y248 HydrophobicContact SD-CE2 4.47Å; A244-Y248 PolarHBondContact O-N 3.44Å; M245-Y248 PolarHBondContact O-N 2.79Å; L246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.46Å; Y248-F251 WeakPolarHBondContact O-CB 3.46Å; Y248-F251 PolarHBondContact O-N 3.45Å; Y248-F252 AromaticContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CE2 4.28Å; Y248-F252 HydrophobicContact CD2-CD2 4.46Å; Y248-F252 HydrophobicContact CD2-CE2 4.24Å; Y248-F252 AromaticContact CE1-CD2 3.37Å; Y248-F252 HydrophobicContact CE1-CD2 3.37Å; Y248-F252 AromaticContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CG 4.29Å; Y248-F252 HydrophobicContact CE1-CZ 4.48Å; Y248-F252 HydrophobicContact CE2-CD2 4.06Å; Y248-F252 AromaticContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CE2 3.49Å; Y248-F252 VanDerWaalsContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CZ 4.47Å; Y248-F252 HydrophobicContact CG-CD2 4.37Å; Y248-F252 AromaticContact CZ-CD2 3.48Å; Y248-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y248-F252 AromaticContact CZ-CE2 3.06Å; Y248-F252 AromaticContact CZ-CZ 3.9Å; Y248-F252 WeakPolarHBondContact O-CD2 3.43Å; Y248-F252 PolarHBondContact O-N 3.37Å; Y248-F252 VanDerWaalsContact O-N 3.12Å; Y248-F252 WeakPolarHBondContact OH-CE2 3.3Å; Y248-F252 WeakPolarHBondContact OH-CZ 3.37Å |
| 249 | L | 93.8 | Very high | 91.3 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 178.9 | 178.9 | 62.8 | 0 | 0 | 0 | 111.4 | M245 L246 F251 F252 L253 | M245-L249 WeakPolarHBondContact O-CB 3.2Å; M245-L249 PolarHBondContact O-N 2.92Å; L246-L249 PolarHBondContact O-N 3.13Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 2.98Å; L249-F252 PolarHBondContact O-N 2.94Å; L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.28Å |
| 250 | L | 95.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 179.2 | -176.5 | 64.6 | 0 | 0 | 0 | 111.3 | L246 Y248 L253 I254 | L246-L250 VanDerWaalsContact O-CB 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 PolarHBondContact O-N 2.88Å; Y248-L250 PolarHBondContact O-N 3.46Å; L250-L253 PolarHBondContact O-N 3.49Å; L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.31Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 WeakPolarHBondContact O-CB 3.32Å; L250-I254 VanDerWaalsContact O-CG1 3.23Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 2.88Å |
| 251 | F | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -51.8 | 175.2 | 177.8 | -95.7 | 0 | 0 | 0 | 111.6 | T213 T217 M220 M221 L247 Y248 L249 L253 I254 Q255 V276 N277 Y280 | T213-F251 HydrophobicContact CG2-CE1 4.47Å; T213-F251 HydrophobicContact CG2-CZ 3.93Å; T217-F251 HydrophobicContact CG2-CD1 4.03Å; T217-F251 HydrophobicContact CG2-CE1 3.46Å; T217-F251 VanDerWaalsContact CG2-CE1 3.46Å; T217-F251 HydrophobicContact CG2-CZ 4.14Å; T217-F251 WeakPolarHBondContact OG1-CE1 3.37Å; T217-F251 VanDerWaalsContact OG1-CZ 3.29Å; T217-F251 WeakPolarHBondContact OG1-CZ 3.42Å; M220-F251 HydrophobicContact CE-CE2 3.85Å; M220-F251 HydrophobicContact CE-CZ 4.19Å; M220-F251 HydrophobicContact SD-CD2 4.18Å; M220-F251 HydrophobicContact SD-CE2 3.73Å; M220-F251 HydrophobicContact SD-CZ 4.14Å; M221-F251 HydrophobicContact CE-CB 3.57Å; M221-F251 HydrophobicContact CE-CD1 3.51Å; M221-F251 HydrophobicContact CE-CD2 4.12Å; M221-F251 HydrophobicContact CE-CE1 4.23Å; M221-F251 HydrophobicContact CE-CG 3.44Å; M221-F251 VanDerWaalsContact CE-CG 3.44Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.33Å; Y248-F251 WeakPolarHBondContact O-CB 3.46Å; Y248-F251 PolarHBondContact O-N 3.45Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 2.98Å; F251-L253 PolarHBondContact O-N 3.12Å; F251-I254 PolarHBondContact O-N 3.2Å; F251-Q255 HydrophobicContact CD1-CG 4.26Å; F251-Q255 HydrophobicContact CD2-CG 4.33Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CE2-CG 3.94Å; F251-Q255 HydrophobicContact CG-CG 4.49Å; F251-Q255 HydrophobicContact CZ-CG 3.69Å; F251-Q255 WeakPolarHBondContact O-CB 3.31Å; F251-Q255 WeakPolarHBondContact O-CG 3.41Å; F251-Q255 PolarHBondContact O-N 3.01Å; F251-V276 HydrophobicContact CD2-CG1 4.17Å; F251-V276 HydrophobicContact CE2-CG1 4.17Å; F251-N277 WeakPolarHBondContact CE2-OD1 3.47Å; F251-N277 WeakPolarHBondContact CZ-OD1 3.39Å; F251-Y280 HydrophobicContact CB-CD1 4.29Å; F251-Y280 HydrophobicContact CB-CE1 3.67Å; F251-Y280 HydrophobicContact CB-CE2 4.32Å; F251-Y280 AromaticContact CD2-CD1 3.87Å; F251-Y280 HydrophobicContact CD2-CD1 3.87Å; F251-Y280 AromaticContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CE1 4.02Å; F251-Y280 AromaticContact CD2-CE2 3.91Å; F251-Y280 HydrophobicContact CD2-CE2 3.91Å; F251-Y280 AromaticContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CE2-CD2 4.44Å; F251-Y280 HydrophobicContact CE2-CG 4.33Å; F251-Y280 HydrophobicContact CG-CD1 4.42Å; F251-Y280 HydrophobicContact CG-CE1 4.26Å; F251-Y280 PolarHBondContact N-OH 2.94Å |
| 252 | F | 93 | Very high | 92 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.088 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | -178.8 | -90.1 | -84.9 | 0 | 0 | 0 | 112.9 | L4 P7 W210 L214 T217 Y248 L249 T256 | L4-F252 HydrophobicContact CD2-CD1 3.62Å; L4-F252 HydrophobicContact CD2-CE1 3.45Å; L4-F252 VanDerWaalsContact CD2-CE1 3.45Å; P7-F252 HydrophobicContact CB-CZ 4.47Å; P7-F252 HydrophobicContact CG-CZ 4.43Å; W210-F252 HydrophobicContact CH2-CD1 4.37Å; L214-F252 HydrophobicContact CD2-CE1 3.91Å; L214-F252 HydrophobicContact CD2-CZ 4.39Å; T217-F252 HydrophobicContact CG2-CE2 3.93Å; T217-F252 HydrophobicContact CG2-CZ 4.06Å; Y248-F252 AromaticContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CD2 3.87Å; Y248-F252 HydrophobicContact CD1-CE2 4.28Å; Y248-F252 HydrophobicContact CD2-CD2 4.46Å; Y248-F252 HydrophobicContact CD2-CE2 4.24Å; Y248-F252 AromaticContact CE1-CD2 3.37Å; Y248-F252 HydrophobicContact CE1-CD2 3.37Å; Y248-F252 AromaticContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CE2 3.52Å; Y248-F252 HydrophobicContact CE1-CG 4.29Å; Y248-F252 HydrophobicContact CE1-CZ 4.48Å; Y248-F252 HydrophobicContact CE2-CD2 4.06Å; Y248-F252 AromaticContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CE2 3.49Å; Y248-F252 VanDerWaalsContact CE2-CE2 3.49Å; Y248-F252 HydrophobicContact CE2-CZ 4.47Å; Y248-F252 HydrophobicContact CG-CD2 4.37Å; Y248-F252 AromaticContact CZ-CD2 3.48Å; Y248-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y248-F252 AromaticContact CZ-CE2 3.06Å; Y248-F252 AromaticContact CZ-CZ 3.9Å; Y248-F252 WeakPolarHBondContact O-CD2 3.43Å; Y248-F252 PolarHBondContact O-N 3.37Å; Y248-F252 VanDerWaalsContact O-N 3.12Å; Y248-F252 WeakPolarHBondContact OH-CE2 3.3Å; Y248-F252 WeakPolarHBondContact OH-CZ 3.37Å; L249-F252 PolarHBondContact O-N 2.94Å; F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.41Å; F252-T256 PolarHBondContact O-N 2.97Å; F252-T256 PolarHBondContact O-OG1 3.27Å |
| 253 | L | 94.2 | Very high | 91.6 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.7 | -72 | 175.8 | 0 | 0 | 0 | 111.7 | L249 L250 F251 S257 | L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.28Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 3.28Å; L250-L253 PolarHBondContact O-N 3.49Å; F251-L253 PolarHBondContact O-N 3.12Å; L253-S257 VanDerWaalsContact O-CB 3.26Å; L253-S257 WeakPolarHBondContact O-CB 3.3Å; L253-S257 PolarHBondContact O-N 2.81Å |
| 254 | I | 94.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 30% | 0.303 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 177 | -68 | 168.5 | 0 | 0 | 0 | 110.1 | L250 F251 T256 S257 L258 V276 | L250-I254 HydrophobicContact CD1-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CG1 4.31Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 WeakPolarHBondContact O-CB 3.32Å; L250-I254 VanDerWaalsContact O-CG1 3.23Å; L250-I254 WeakPolarHBondContact O-CG1 3.46Å; L250-I254 PolarHBondContact O-N 2.88Å; F251-I254 PolarHBondContact O-N 3.2Å; I254-T256 VanDerWaalsContact C-N 3.35Å; I254-T256 PolarHBondContact O-N 3.04Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.32Å; I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.25Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 3.43Å; I254-V276 HydrophobicContact CG2-CB 4.48Å; I254-V276 HydrophobicContact CG2-CG1 4.02Å; I254-V276 HydrophobicContact CG2-CG2 3.69Å |
| 255 | Q | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | -178.7 | -68.6 | -68.1 | 7.5 | 0 | 0 | 112.2 | W210 T213 F251 L258 K259 M273 V276 N277 | W210-Q255 HydrophobicContact CE3-CB 4.23Å; W210-Q255 HydrophobicContact CZ3-CB 3.62Å; T213-Q255 HydrophobicContact CG2-CG 4.19Å; F251-Q255 HydrophobicContact CD1-CG 4.26Å; F251-Q255 HydrophobicContact CD2-CG 4.33Å; F251-Q255 HydrophobicContact CE1-CG 3.84Å; F251-Q255 HydrophobicContact CE2-CG 3.94Å; F251-Q255 HydrophobicContact CG-CG 4.49Å; F251-Q255 HydrophobicContact CZ-CG 3.69Å; F251-Q255 WeakPolarHBondContact O-CB 3.31Å; F251-Q255 WeakPolarHBondContact O-CG 3.41Å; F251-Q255 PolarHBondContact O-N 3.01Å; Q255-L258 PolarHBondContact O-N 3.49Å; Q255-K259 PolarHBondContact O-N 3.33Å; Q255-M273 PolarHBondContact NE2-O 3.43Å; Q255-V276 HydrophobicContact CG-CG1 4.5Å; Q255-N277 PolarHBondContact NE2-OD1 3.39Å |
| 256 | T | 91.5 | Very high | 90.5 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | F252 I254 K259 S260 | F252-T256 VanDerWaalsContact O-CB 3.25Å; F252-T256 WeakPolarHBondContact O-CB 3.41Å; F252-T256 PolarHBondContact O-N 2.97Å; F252-T256 PolarHBondContact O-OG1 3.27Å; I254-T256 VanDerWaalsContact C-N 3.35Å; I254-T256 PolarHBondContact O-N 3.04Å; T256-K259 PolarHBondContact O-N 2.67Å; T256-S260 PolarHBondContact O-N 3.34Å |
| 257 | S | 92.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 42% | 0.42 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | L253 I254 S260 N261 | L253-S257 VanDerWaalsContact O-CB 3.26Å; L253-S257 WeakPolarHBondContact O-CB 3.3Å; L253-S257 PolarHBondContact O-N 2.81Å; I254-S257 WeakPolarHBondContact O-CB 3.48Å; I254-S257 PolarHBondContact O-N 3.32Å; S257-S260 PolarHBondContact O-N 3.31Å; S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.98Å; S257-N261 PolarHBondContact O-ND2 2.98Å; S257-N261 PolarHBondContact OG-ND2 3.5Å |
| 258 | L | 92.6 | Very high | 89.8 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.3 | -71.9 | 177.2 | 0 | 0 | 0 | 112.4 | I254 Q255 G262 L267 W272 M273 V276 | I254-L258 HydrophobicContact CG2-CD1 3.99Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.25Å; I254-L258 WeakPolarHBondContact O-CG 3.3Å; I254-L258 PolarHBondContact O-N 3.43Å; Q255-L258 PolarHBondContact O-N 3.49Å; L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.22Å; L258-L267 HydrophobicContact CD2-CD1 4.21Å; L258-W272 HydrophobicContact CD1-CB 4.03Å; L258-W272 HydrophobicContact CD2-CB 3.64Å; L258-W272 HydrophobicContact CD2-CG 4.26Å; L258-W272 HydrophobicContact CG-CB 4.44Å; L258-M273 HydrophobicContact CB-CE 4.22Å; L258-M273 HydrophobicContact CB-CG 4.04Å; L258-M273 HydrophobicContact CD1-CG 4.28Å; L258-V276 HydrophobicContact CD1-CB 4.5Å; L258-V276 HydrophobicContact CD1-CG2 3.72Å |
| 259 | K | 88.7 | Confident | 89.4 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -50.9 | 173.1 | 179.1 | -177.1 | 165.8 | 171.5 | 0 | 110.4 | D189 E207 W210 Q255 T256 N261 G262 G263 M273 | D189-K259 IonicContact OD1-NZ 3.14Å; D189-K259 PolarHBondContact OD1-NZ 2.99Å; D189-K259 IonicContact OD2-NZ 3.82Å; E207-K259 WeakPolarHBondContact OE2-CE 3.43Å; E207-K259 IonicContact OE2-NZ 2.74Å; E207-K259 PolarHBondContact OE2-NZ 3.46Å; W210-K259 HydrophobicContact CB-CD 4.16Å; W210-K259 HydrophobicContact CB-CG 4.48Å; W210-K259 HydrophobicContact CD2-CD 3.95Å; W210-K259 HydrophobicContact CE3-CB 4.19Å; W210-K259 HydrophobicContact CE3-CD 4.43Å; W210-K259 HydrophobicContact CG-CD 3.8Å; Q255-K259 PolarHBondContact O-N 3.33Å; T256-K259 PolarHBondContact O-N 2.67Å; K259-N261 PolarHBondContact O-N 3.32Å; K259-G262 PolarHBondContact O-N 3.5Å; K259-G263 PolarHBondContact O-N 3.3Å; K259-M273 HydrophobicContact CB-CE 3.62Å; K259-M273 HydrophobicContact CG-CE 4.49Å; K259-M273 VanDerWaalsContact N-CE 3.29Å |
| 260 | S | 87.6 | Confident | 89.1 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -178.7 | 162.7 | 0 | 0 | 0 | 0 | 112.8 | T256 S257 K264 | T256-S260 PolarHBondContact O-N 3.34Å; S257-S260 PolarHBondContact O-N 3.31Å; S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 2.87Å |
| 261 | N | 89.3 | Confident | 88.9 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.1 | -36 | 179.5 | -72.4 | -35.6 | 0 | 0 | 0 | 112.6 | S257 K259 K264 K266 L267 | S257-N261 WeakPolarHBondContact O-CB 3.3Å; S257-N261 PolarHBondContact O-N 2.98Å; S257-N261 PolarHBondContact O-ND2 2.98Å; S257-N261 PolarHBondContact OG-ND2 3.5Å; K259-N261 PolarHBondContact O-N 3.32Å; N261-K264 PolarHBondContact O-N 2.89Å; N261-K266 PolarHBondContact O-N 3.47Å; N261-L267 HydrophobicContact CB-CD1 4.04Å |
| 262 | G | 86.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L258 K259 K264 G265 | L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.22Å; K259-G262 PolarHBondContact O-N 3.5Å; G262-K264 PolarHBondContact O-N 3.23Å; G262-K264 VanDerWaalsContact O-N 3.15Å; G262-G265 PolarHBondContact O-N 3.33Å |
| 263 | G | 82 | Confident | 88.7 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R203 K259 | R203-G263 WeakPolarHBondContact CG-O 3.43Å; R203-G263 PolarHBondContact NE-O 3.49Å; K259-G263 PolarHBondContact O-N 3.3Å |
| 264 | K | 83.5 | Confident | 88.6 | Confident | 138 Ų | 138 | 60.5 Ų | 60.5 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.8 | 172.7 | -68.9 | 173.4 | -174.2 | 176.5 | 0 | 113 | S260 N261 G262 K266 | S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 2.87Å; N261-K264 PolarHBondContact O-N 2.89Å; G262-K264 PolarHBondContact O-N 3.23Å; G262-K264 VanDerWaalsContact O-N 3.15Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 HydrophobicContact CB-CG 4.42Å; K264-K266 PolarHBondContact O-N 2.92Å |
| 265 | G | 82.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 17 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D202 G262 | D202-G265 WeakPolarHBondContact OD2-CA 3.42Å; G262-G265 PolarHBondContact O-N 3.33Å |
| 266 | K | 83.2 | Confident | 88.7 | Confident | 155 Ų | 155 | 60.9 Ų | 60.9 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -82.1 | -25.2 | -179.4 | -68.4 | -169.5 | 174.7 | -172.2 | 0 | 113.6 | N261 K264 | N261-K266 PolarHBondContact O-N 3.47Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 HydrophobicContact CB-CG 4.42Å; K264-K266 PolarHBondContact O-N 2.92Å |
| 267 | L | 85.5 | Confident | 88.8 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -147.9 | 144 | -171.4 | -62.8 | 169.9 | 0 | 0 | 0 | 108.4 | L258 N261 P269 | L258-L267 HydrophobicContact CD2-CD1 4.21Å; N261-L267 HydrophobicContact CB-CD1 4.04Å; L267-P269 WeakPolarHBondContact O-CD 3.32Å |
| 268 | D | 88.5 | Confident | 88.9 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | trans | -67.9 | 110.1 | 170.5 | -69.2 | -43.6 | 0 | 0 | 0 | 109.9 | T270 L271 W272 | D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.99Å; D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 PolarHBondContact O-N 2.86Å; D268-W272 PolarHBondContact O-N 3.26Å | ||
| 269 | P | 84.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | -174.4 | 24 | -32.2 | 0 | 0 | 0 | 111.9 | R205 A206 L267 L271 M273 | R205-P269 HydrophobicContact CB-CG 4.03Å; A206-P269 HydrophobicContact CB-CB 3.86Å; A206-P269 HydrophobicContact CB-CG 4Å; L267-P269 WeakPolarHBondContact O-CD 3.32Å; P269-L271 PolarHBondContact O-N 3.27Å; P269-M273 HydrophobicContact CB-SD 4.36Å; P269-M273 WeakPolarHBondContact O-CB 3.37Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 3.42Å |
| 270 | T | 88.2 | Confident | 89.3 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.2 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | N209 D268 W274 | N209-T270 PolarHBondContact ND2-OG1 3.12Å; D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.99Å; T270-W274 WeakPolarHBondContact O-CB 3.49Å; T270-W274 PolarHBondContact O-N 3.36Å |
| 271 | L | 90.3 | Very high | 89.7 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.9 | -49.5 | -177 | -174.4 | 67.7 | 0 | 0 | 0 | 111.2 | D268 P269 T275 | D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 PolarHBondContact O-N 2.86Å; P269-L271 PolarHBondContact O-N 3.27Å; L271-T275 VanDerWaalsContact O-CB 3.3Å; L271-T275 WeakPolarHBondContact O-CB 3.24Å; L271-T275 PolarHBondContact O-N 3.36Å; L271-T275 PolarHBondContact O-OG1 3.48Å |
| 272 | W | 92 | Very high | 89.9 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 45% | 0.451 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.6 | -41.1 | -172.4 | -73.6 | 101.2 | 0 | 0 | 0 | 113.4 | L258 D268 W274 T275 V276 | L258-W272 HydrophobicContact CD1-CB 4.03Å; L258-W272 HydrophobicContact CD2-CB 3.64Å; L258-W272 HydrophobicContact CD2-CG 4.26Å; L258-W272 HydrophobicContact CG-CB 4.44Å; D268-W272 PolarHBondContact O-N 3.26Å; W272-W274 PolarHBondContact O-N 3.47Å; W272-T275 PolarHBondContact O-N 2.88Å; W272-V276 WeakPolarHBondContact O-CG2 3.47Å; W272-V276 PolarHBondContact O-N 3.47Å |
| 273 | M | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.1 | -69.5 | -178 | 160.7 | 0 | 0 | 111.5 | N209 W210 Q255 L258 K259 P269 V276 N277 | N209-M273 HydrophobicContact CB-SD 3.47Å; N209-M273 WeakPolarHBondContact CB-SD 3.41Å; W210-M273 HydrophobicContact CB-CE 4.3Å; Q255-M273 PolarHBondContact NE2-O 3.43Å; L258-M273 HydrophobicContact CB-CE 4.22Å; L258-M273 HydrophobicContact CB-CG 4.04Å; L258-M273 HydrophobicContact CD1-CG 4.28Å; K259-M273 HydrophobicContact CB-CE 3.62Å; K259-M273 HydrophobicContact CG-CE 4.49Å; K259-M273 VanDerWaalsContact N-CE 3.29Å; P269-M273 HydrophobicContact CB-SD 4.36Å; P269-M273 WeakPolarHBondContact O-CB 3.37Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 3.42Å; M273-V276 PolarHBondContact O-N 3.48Å; M273-N277 VanDerWaalsContact O-CG 3.3Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.84Å |
| 274 | W | 92.7 | Very high | 90.7 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 176.5 | -78.1 | 90.1 | 0 | 0 | 0 | 112.4 | N209 I212 T270 W272 V276 N277 L278 | N209-W274 PolarHBondContact OD1-NE1 3.42Å; I212-W274 HydrophobicContact CG2-CH2 4.32Å; I212-W274 HydrophobicContact CG2-CZ2 3.88Å; T270-W274 WeakPolarHBondContact O-CB 3.49Å; T270-W274 PolarHBondContact O-N 3.36Å; W272-W274 PolarHBondContact O-N 3.47Å; W274-V276 VanDerWaalsContact C-N 3.32Å; W274-V276 PolarHBondContact O-N 3.36Å; W274-N277 PolarHBondContact O-N 3.03Å; W274-L278 WeakPolarHBondContact O-CB 3.43Å; W274-L278 VanDerWaalsContact O-CG 3.3Å; W274-L278 WeakPolarHBondContact O-CG 3.41Å; W274-L278 PolarHBondContact O-N 2.92Å |
| 275 | T | 94.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 173 | -62.5 | 0 | 0 | 0 | 0 | 111 | L271 W272 N277 L278 I279 | L271-T275 VanDerWaalsContact O-CB 3.3Å; L271-T275 WeakPolarHBondContact O-CB 3.24Å; L271-T275 PolarHBondContact O-N 3.36Å; L271-T275 PolarHBondContact O-OG1 3.48Å; W272-T275 PolarHBondContact O-N 2.88Å; T275-N277 PolarHBondContact O-N 2.82Å; T275-L278 PolarHBondContact O-N 3.41Å; T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 WeakPolarHBondContact O-CB 3.4Å; T275-I279 VanDerWaalsContact O-CG1 3.26Å; T275-I279 WeakPolarHBondContact O-CG1 3.26Å; T275-I279 PolarHBondContact O-N 2.92Å |
| 276 | V | 94.5 | Very high | 91.4 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | F251 I254 Q255 L258 W272 M273 W274 L278 I279 Y280 | F251-V276 HydrophobicContact CD2-CG1 4.17Å; F251-V276 HydrophobicContact CE2-CG1 4.17Å; I254-V276 HydrophobicContact CG2-CB 4.48Å; I254-V276 HydrophobicContact CG2-CG1 4.02Å; I254-V276 HydrophobicContact CG2-CG2 3.69Å; Q255-V276 HydrophobicContact CG-CG1 4.5Å; L258-V276 HydrophobicContact CD1-CB 4.5Å; L258-V276 HydrophobicContact CD1-CG2 3.72Å; W272-V276 WeakPolarHBondContact O-CG2 3.47Å; W272-V276 PolarHBondContact O-N 3.47Å; M273-V276 PolarHBondContact O-N 3.48Å; W274-V276 VanDerWaalsContact C-N 3.32Å; W274-V276 PolarHBondContact O-N 3.36Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.1Å; V276-I279 PolarHBondContact O-N 3.22Å; V276-Y280 HydrophobicContact CG1-CD2 4.02Å; V276-Y280 HydrophobicContact CG1-CE2 4.18Å; V276-Y280 WeakPolarHBondContact O-CD2 3.43Å; V276-Y280 PolarHBondContact O-N 3.06Å |
| 277 | N | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.4 | -71.7 | -26.2 | 0 | 0 | 0 | 112.3 | T213 F216 M220 F251 Q255 M273 W274 T275 Y280 L281 | T213-N277 WeakPolarHBondContact CG2-ND2 3.4Å; T213-N277 WeakPolarHBondContact CG2-OD1 3.26Å; T213-N277 PolarHBondContact OG1-ND2 2.93Å; F216-N277 HydrophobicContact CD1-CB 4.05Å; F216-N277 HydrophobicContact CE1-CB 3.96Å; M220-N277 HydrophobicContact CE-CB 3.92Å; M220-N277 VanDerWaalsContact CE-O 3.3Å; M220-N277 WeakPolarHBondContact CE-O 3.26Å; F251-N277 WeakPolarHBondContact CE2-OD1 3.47Å; F251-N277 WeakPolarHBondContact CZ-OD1 3.39Å; Q255-N277 PolarHBondContact NE2-OD1 3.39Å; M273-N277 VanDerWaalsContact O-CG 3.3Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.84Å; W274-N277 PolarHBondContact O-N 3.03Å; T275-N277 PolarHBondContact O-N 2.82Å; N277-Y280 PolarHBondContact O-N 3.05Å; N277-L281 VanDerWaalsContact O-CB 3.25Å; N277-L281 WeakPolarHBondContact O-CB 3.42Å; N277-L281 PolarHBondContact O-N 2.86Å |
| 278 | L | 94.7 | Very high | 91.9 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 177.9 | -70.9 | 175.6 | 0 | 0 | 0 | 112 | W274 T275 V276 L281 A282 | W274-L278 WeakPolarHBondContact O-CB 3.43Å; W274-L278 VanDerWaalsContact O-CG 3.3Å; W274-L278 WeakPolarHBondContact O-CG 3.41Å; W274-L278 PolarHBondContact O-N 2.92Å; T275-L278 PolarHBondContact O-N 3.41Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 3.47Å; L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.96Å |
| 279 | I | 95.5 | Very high | 91.9 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.9 | -72.1 | 167.5 | 0 | 0 | 0 | 110.6 | T275 V276 A282 L283 | T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 WeakPolarHBondContact O-CB 3.4Å; T275-I279 VanDerWaalsContact O-CG1 3.26Å; T275-I279 WeakPolarHBondContact O-CG1 3.26Å; T275-I279 PolarHBondContact O-N 2.92Å; V276-I279 PolarHBondContact O-N 3.22Å; I279-A282 PolarHBondContact O-N 3.32Å; I279-L283 WeakPolarHBondContact O-CB 3.29Å; I279-L283 PolarHBondContact O-N 3.44Å |
| 280 | Y | 94.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 178.6 | -90.3 | -104.9 | 0 | 0 | 0 | 112.5 | M220 M221 M224 L247 F251 V276 N277 L283 A284 | M220-Y280 WeakPolarHBondContact SD-CB 3.5Å; M220-Y280 HydrophobicContact SD-CD1 4.24Å; M220-Y280 HydrophobicContact SD-CG 4.07Å; M221-Y280 HydrophobicContact CE-CD1 4.49Å; M224-Y280 HydrophobicContact CE-CD1 4.36Å; M224-Y280 HydrophobicContact CE-CE1 4.41Å; M224-Y280 HydrophobicContact SD-CD1 3.99Å; M224-Y280 HydrophobicContact SD-CE1 4.44Å; L247-Y280 PolarHBondContact O-OH 3.38Å; F251-Y280 HydrophobicContact CB-CD1 4.29Å; F251-Y280 HydrophobicContact CB-CE1 3.67Å; F251-Y280 HydrophobicContact CB-CE2 4.32Å; F251-Y280 AromaticContact CD2-CD1 3.87Å; F251-Y280 HydrophobicContact CD2-CD1 3.87Å; F251-Y280 AromaticContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CD2 3.77Å; F251-Y280 HydrophobicContact CD2-CE1 4.02Å; F251-Y280 AromaticContact CD2-CE2 3.91Å; F251-Y280 HydrophobicContact CD2-CE2 3.91Å; F251-Y280 AromaticContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CD2-CG 3.74Å; F251-Y280 HydrophobicContact CE2-CD2 4.44Å; F251-Y280 HydrophobicContact CE2-CG 4.33Å; F251-Y280 HydrophobicContact CG-CD1 4.42Å; F251-Y280 HydrophobicContact CG-CE1 4.26Å; F251-Y280 PolarHBondContact N-OH 2.94Å; V276-Y280 HydrophobicContact CG1-CD2 4.02Å; V276-Y280 HydrophobicContact CG1-CE2 4.18Å; V276-Y280 WeakPolarHBondContact O-CD2 3.43Å; V276-Y280 PolarHBondContact O-N 3.06Å; N277-Y280 PolarHBondContact O-N 3.05Å; Y280-L283 PolarHBondContact O-N 3.04Å; Y280-A284 WeakPolarHBondContact O-CB 3.34Å; Y280-A284 PolarHBondContact O-N 3.06Å |
| 281 | L | 94.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.9 | -177.4 | 70.4 | 0 | 0 | 0 | 111 | F216 L223 N277 L278 L283 A284 I285 | F216-L281 HydrophobicContact CZ-CD1 4.31Å; F216-L281 HydrophobicContact CZ-CD2 4.22Å; L223-L281 HydrophobicContact CD2-CD1 4.45Å; N277-L281 VanDerWaalsContact O-CB 3.25Å; N277-L281 WeakPolarHBondContact O-CB 3.42Å; N277-L281 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.47Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.27Å; L281-A284 PolarHBondContact O-N 3.43Å; L281-I285 HydrophobicContact CD1-CD1 4.42Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.34Å |
| 282 | A | 94 | Very high | 90.6 | Very high | 50 Ų | 50 | 57 Ų | 57 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L278 I279 A284 I285 V286 | L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.96Å; I279-A282 PolarHBondContact O-N 3.32Å; A282-A284 PolarHBondContact O-N 2.9Å; A282-I285 PolarHBondContact O-N 3.35Å; A282-V286 WeakPolarHBondContact O-CB 3.42Å; A282-V286 VanDerWaalsContact O-CG2 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.24Å; A282-V286 PolarHBondContact O-N 2.86Å |
| 283 | L | 93.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.3 | -178.3 | 64.4 | 0 | 0 | 0 | 111.6 | M224 L247 I279 Y280 L281 I285 V286 L287 | M224-L283 HydrophobicContact CE-CD2 3.7Å; M224-L283 HydrophobicContact CE-CG 4.34Å; L247-L283 HydrophobicContact CD2-CD2 4.37Å; I279-L283 WeakPolarHBondContact O-CB 3.29Å; I279-L283 PolarHBondContact O-N 3.44Å; Y280-L283 PolarHBondContact O-N 3.04Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.27Å; L283-I285 PolarHBondContact O-N 2.6Å; L283-V286 PolarHBondContact O-N 3.47Å; L283-L287 HydrophobicContact CD1-CD1 4.26Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CG-CD1 4.06Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3.22Å |
| 284 | A | 92 | Very high | 89 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L223 M224 Y280 L281 A282 N288 | L223-A284 HydrophobicContact CB-CB 4.42Å; L223-A284 HydrophobicContact CD2-CB 4Å; L223-A284 HydrophobicContact CG-CB 4.12Å; M224-A284 HydrophobicContact CB-CB 3.97Å; M224-A284 HydrophobicContact CG-CB 4.37Å; Y280-A284 WeakPolarHBondContact O-CB 3.34Å; Y280-A284 PolarHBondContact O-N 3.06Å; L281-A284 PolarHBondContact O-N 3.43Å; A282-A284 PolarHBondContact O-N 2.9Å; A284-N288 WeakPolarHBondContact O-CB 3.28Å; A284-N288 PolarHBondContact O-N 3.08Å; A284-N288 PolarHBondContact O-ND2 3.47Å |
| 285 | I | 91.4 | Very high | 88.4 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 176.6 | -68.3 | 165.9 | 0 | 0 | 0 | 110.6 | L223 L281 A282 L283 L287 N288 L289 | L223-I285 HydrophobicContact CD2-CG1 4.24Å; L281-I285 HydrophobicContact CD1-CD1 4.42Å; L281-I285 HydrophobicContact CG-CD1 3.99Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.49Å; L281-I285 PolarHBondContact O-N 3.34Å; A282-I285 PolarHBondContact O-N 3.35Å; L283-I285 PolarHBondContact O-N 2.6Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.42Å; I285-N288 PolarHBondContact O-N 3.28Å; I285-L289 HydrophobicContact CG2-CD1 3.52Å; I285-L289 HydrophobicContact CG2-CG 4.13Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.44Å |
| 286 | V | 90.9 | Very high | 87.6 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 178.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | A282 L283 N288 L289 W290 | A282-V286 WeakPolarHBondContact O-CB 3.42Å; A282-V286 VanDerWaalsContact O-CG2 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.24Å; A282-V286 PolarHBondContact O-N 2.86Å; L283-V286 PolarHBondContact O-N 3.47Å; V286-N288 PolarHBondContact O-N 3.45Å; V286-L289 PolarHBondContact O-N 3.3Å; V286-W290 HydrophobicContact CG1-CE3 3.89Å; V286-W290 HydrophobicContact CG1-CZ3 4.17Å; V286-W290 WeakPolarHBondContact O-CB 3.41Å; V286-W290 PolarHBondContact O-N 3.39Å |
| 287 | L | 89.2 | Confident | 86.7 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 177.7 | -72 | 171.9 | 0 | 0 | 0 | 112.6 | P227 L228 L283 I285 | P227-L287 HydrophobicContact CB-CB 4.25Å; P227-L287 HydrophobicContact CG-CB 3.8Å; L228-L287 HydrophobicContact CD2-CD1 4.35Å; L228-L287 HydrophobicContact CG-CD1 4.45Å; L283-L287 HydrophobicContact CD1-CD1 4.26Å; L283-L287 HydrophobicContact CD1-CG 4.33Å; L283-L287 HydrophobicContact CG-CD1 4.06Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.29Å; L283-L287 PolarHBondContact O-N 3.22Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.42Å |
| 288 | N | 88.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 176.6 | -84.7 | -82.9 | 0 | 0 | 0 | 112.6 | V41 L223 A284 I285 V286 | V41-N288 WeakPolarHBondContact CG2-OD1 3.39Å; L223-N288 PolarHBondContact O-ND2 3.05Å; A284-N288 WeakPolarHBondContact O-CB 3.28Å; A284-N288 PolarHBondContact O-N 3.08Å; A284-N288 PolarHBondContact O-ND2 3.47Å; I285-N288 PolarHBondContact O-N 3.28Å; V286-N288 PolarHBondContact O-N 3.45Å |
| 289 | L | 88 | Confident | 84.9 | Confident | 83 Ų | 83 | 78.4 Ų | 78.4 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -77 | -21.3 | 179.2 | -67.8 | 175.7 | 0 | 0 | 0 | 112.9 | I285 V286 D291 T292 V295 | I285-L289 HydrophobicContact CG2-CD1 3.52Å; I285-L289 HydrophobicContact CG2-CG 4.13Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 VanDerWaalsContact O-CG 3.29Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.44Å; V286-L289 PolarHBondContact O-N 3.3Å; L289-D291 PolarHBondContact O-N 2.85Å; L289-D291 VanDerWaalsContact O-N 3.1Å; L289-T292 HydrophobicContact CD2-CG2 4.21Å; L289-T292 WeakPolarHBondContact O-CB 3.36Å; L289-T292 PolarHBondContact O-N 3.03Å; L289-T292 PolarHBondContact O-OG1 2.86Å; L289-V295 HydrophobicContact CB-CG2 4.13Å; L289-V295 WeakPolarHBondContact O-CB 3.48Å; L289-V295 VanDerWaalsContact O-CG2 3.26Å; L289-V295 WeakPolarHBondContact O-CG2 3.46Å |
| 290 | W | 82.9 | Confident | 83.9 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.6 | -176 | -159.3 | -87.1 | 0 | 0 | 0 | 113.6 | V286 | V286-W290 HydrophobicContact CG1-CE3 3.89Å; V286-W290 HydrophobicContact CG1-CZ3 4.17Å; V286-W290 WeakPolarHBondContact O-CB 3.41Å; V286-W290 PolarHBondContact O-N 3.39Å |
| 291 | D | 75.2 | Confident | 82.9 | Confident | 58 Ų | 58 | 78 Ų | 78 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | 178.9 | -80.7 | -45.8 | 0 | 0 | 0 | 114.9 | K37 L289 R296 | K37-D291 HydrophobicContact CD-CB 4.43Å; K37-D291 IonicContact NZ-OD2 2.85Å; K37-D291 PolarHBondContact NZ-OD2 3.26Å; L289-D291 PolarHBondContact O-N 2.85Å; L289-D291 VanDerWaalsContact O-N 3.1Å; D291-R296 PolarHBondContact O-NE 3.33Å; D291-R296 IonicContact OD1-CZ 3.75Å; D291-R296 IonicContact OD1-NE 3.81Å; D291-R296 IonicContact OD1-NH2 2.73Å; D291-R296 PolarHBondContact OD1-NH2 3.42Å |
| 292 | T | 79.1 | Confident | 81.9 | Confident | 45 Ų | 45 | 83 Ų | 83 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -77.3 | 152 | 179.8 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | L289 P294 V295 R296 | L289-T292 HydrophobicContact CD2-CG2 4.21Å; L289-T292 WeakPolarHBondContact O-CB 3.36Å; L289-T292 PolarHBondContact O-N 3.03Å; L289-T292 PolarHBondContact O-OG1 2.86Å; T292-P294 VanDerWaalsContact C-CD 3.43Å; T292-P294 WeakPolarHBondContact OG1-CD 3.37Å; T292-P294 WeakPolarHBondContact OG1-CG 3.43Å; T292-V295 PolarHBondContact O-N 3.28Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 2.9Å |
| 293 | V | 75.3 | Confident | 80.6 | Confident | 91 Ų | 91 | 84.7 Ų | 84.7 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -50 | -44.8 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 114 | R296 R297 | V293-R296 PolarHBondContact O-N 2.64Å; V293-R297 HydrophobicContact CG1-CG 4.3Å; V293-R297 WeakPolarHBondContact O-CB 3.4Å; V293-R297 WeakPolarHBondContact O-CG 3.49Å; V293-R297 PolarHBondContact O-N 3.43Å |
| 294 | P | 75.1 | Confident | 79 | Confident | 87 Ų | 87 | 91.7 Ų | 91.7 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | -178.5 | 23.3 | -34.2 | 0 | 0 | 0 | 112.6 | T292 R297 L298 | T292-P294 VanDerWaalsContact C-CD 3.43Å; T292-P294 WeakPolarHBondContact OG1-CD 3.37Å; T292-P294 WeakPolarHBondContact OG1-CG 3.43Å; P294-R297 PolarHBondContact O-N 2.87Å; P294-L298 WeakPolarHBondContact O-CB 3.35Å; P294-L298 PolarHBondContact O-N 3.26Å |
| 295 | V | 79.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 100.5 Ų | 100.5 | 28% | 0.279 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111 | L289 T292 L298 R299 | L289-V295 HydrophobicContact CB-CG2 4.13Å; L289-V295 WeakPolarHBondContact O-CB 3.48Å; L289-V295 VanDerWaalsContact O-CG2 3.26Å; L289-V295 WeakPolarHBondContact O-CG2 3.46Å; T292-V295 PolarHBondContact O-N 3.28Å; V295-L298 PolarHBondContact O-N 3.1Å; V295-R299 PolarHBondContact O-N 3.47Å |
| 296 | R | 76.9 | Confident | 75.7 | Confident | 146 Ų | 146 | 100.3 Ų | 100.3 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 173.3 | -73.8 | -176.9 | 174.7 | -167.5 | 1.6 | 112.5 | D291 T292 V293 L298 R299 A300 | D291-R296 PolarHBondContact O-NE 3.33Å; D291-R296 IonicContact OD1-CZ 3.75Å; D291-R296 IonicContact OD1-NE 3.81Å; D291-R296 IonicContact OD1-NH2 2.73Å; D291-R296 PolarHBondContact OD1-NH2 3.42Å; T292-R296 WeakPolarHBondContact O-CG 3.26Å; T292-R296 PolarHBondContact O-N 2.9Å; V293-R296 PolarHBondContact O-N 2.64Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-R299 PolarHBondContact O-N 2.91Å; R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 2.93Å |
| 297 | R | 75.2 | Confident | 73.7 | Confident | 187 Ų | 187 | 100.8 Ų | 100.8 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -40.4 | 174.5 | -77.6 | -177.5 | -179.2 | -170.5 | 1.3 | 111.8 | V293 P294 A300 S301 | V293-R297 HydrophobicContact CG1-CG 4.3Å; V293-R297 WeakPolarHBondContact O-CB 3.4Å; V293-R297 WeakPolarHBondContact O-CG 3.49Å; V293-R297 PolarHBondContact O-N 3.43Å; P294-R297 PolarHBondContact O-N 2.87Å; R297-A300 PolarHBondContact O-N 3.37Å; R297-S301 PolarHBondContact O-N 3.49Å |
| 298 | L | 78 | Confident | 71.4 | Confident | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.7 | -43.4 | 177.8 | -155.8 | 145.6 | 0 | 0 | 0 | 111 | P294 V295 R296 A300 S301 F302 | P294-L298 WeakPolarHBondContact O-CB 3.35Å; P294-L298 PolarHBondContact O-N 3.26Å; V295-L298 PolarHBondContact O-N 3.1Å; R296-L298 VanDerWaalsContact C-N 3.33Å; L298-A300 PolarHBondContact O-N 3.35Å; L298-S301 PolarHBondContact O-N 3.31Å; L298-S301 PolarHBondContact O-OG 2.97Å; L298-F302 HydrophobicContact CD2-CD2 3.9Å; L298-F302 HydrophobicContact CD2-CE2 3.73Å; L298-F302 WeakPolarHBondContact O-CD2 3.37Å; L298-F302 PolarHBondContact O-N 3.47Å |
| 299 | R | 75 | Confident | 70.6 | Confident | 165 Ų | 165 | 112.3 Ų | 112.3 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 173.1 | -171.6 | 178.2 | 178.8 | -171.9 | 0.9 | 112.6 | V295 R296 S301 F302 S303 | V295-R299 PolarHBondContact O-N 3.47Å; R296-R299 PolarHBondContact O-N 2.91Å; R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 2.94Å; R299-F302 PolarHBondContact O-N 3.34Å; R299-S303 WeakPolarHBondContact O-CB 3.45Å; R299-S303 PolarHBondContact O-N 2.88Å |
| 300 | A | 73.3 | Confident | 69.6 | Low | 51 Ų | 51 | 113.8 Ų | 113.8 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66 | -34.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R296 R297 L298 S303 R304 | R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 2.93Å; R297-A300 PolarHBondContact O-N 3.37Å; L298-A300 PolarHBondContact O-N 3.35Å; A300-S303 PolarHBondContact O-N 2.95Å; A300-R304 WeakPolarHBondContact O-CB 3.36Å; A300-R304 PolarHBondContact O-N 3.17Å |
| 301 | S | 74.4 | Confident | 68.9 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70 | -36.7 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | R297 L298 R299 K305 | R297-S301 PolarHBondContact O-N 3.49Å; L298-S301 PolarHBondContact O-N 3.31Å; L298-S301 PolarHBondContact O-OG 2.97Å; R299-S301 VanDerWaalsContact C-N 3.33Å; R299-S301 PolarHBondContact O-N 2.94Å; S301-K305 PolarHBondContact O-N 3.48Å |
| 302 | F | 73.6 | Confident | 68.5 | Low | 153 Ų | 153 | 116.1 Ų | 116.1 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -39.7 | 172.1 | -87.2 | -79.6 | 0 | 0 | 0 | 112.5 | L298 R299 K305 | L298-F302 HydrophobicContact CD2-CD2 3.9Å; L298-F302 HydrophobicContact CD2-CE2 3.73Å; L298-F302 WeakPolarHBondContact O-CD2 3.37Å; L298-F302 PolarHBondContact O-N 3.47Å; R299-F302 PolarHBondContact O-N 3.34Å; F302-K305 PolarHBondContact O-N 2.91Å |
| 303 | S | 66 | Low | 67.9 | Low | 86 Ų | 86 | 120.6 Ų | 120.6 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67 | -36.7 | 176.1 | 165.8 | 0 | 0 | 0 | 0 | 112.9 | R299 A300 K305 G306 | R299-S303 WeakPolarHBondContact O-CB 3.45Å; R299-S303 PolarHBondContact O-N 2.88Å; A300-S303 PolarHBondContact O-N 2.95Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.44Å; S303-G306 PolarHBondContact O-N 3.29Å |
| 304 | R | 60 | Low | 67.4 | Low | 210 Ų | 210 | 122.5 Ų | 122.5 | 79% | 0.792 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.6 | -22.9 | 176.7 | -80.5 | -174.9 | 177.2 | -175.4 | -1.3 | 113.7 | A300 G306 | A300-R304 WeakPolarHBondContact O-CB 3.36Å; A300-R304 PolarHBondContact O-N 3.17Å; R304-G306 VanDerWaalsContact C-N 3.33Å |
| 305 | K | 58.7 | Low | 66.8 | Low | 185 Ų | 185 | 125.1 Ų | 125.1 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -7.6 | 177.1 | -79.1 | -174.1 | 175.3 | -173.3 | 0 | 114.2 | S301 F302 S303 | S301-K305 PolarHBondContact O-N 3.48Å; F302-K305 PolarHBondContact O-N 2.91Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.44Å |
| 306 | G | 54.5 | Low | 65.9 | Low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 14 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S303 R304 | S303-G306 PolarHBondContact O-N 3.29Å; R304-G306 VanDerWaalsContact C-N 3.33Å |
| 307 | A | 49.6 | Very low | 65 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | trans | -122.2 | 28.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 308 | V | 41.3 | Very low | 64 | Low | 205 Ų | 205 | 124.7 Ų | 124.7 | 100% | 1.242 | 68% | 0.684 | S | S | * | * | trans | -122.3 | 0 | 170.1 | -173.2 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 308 of 308 residues in 416.8 ms
(Link to these results)