| 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 | 69.5 | Low | 83.8 | Confident | 148 Ų | 148 | 71.5 Ų | 71.5 | 73% | 0.729 | 36% | 0.364 | S | S | * | . | 0 | -60.8 | 0 | -165.4 | 167.5 | 176.1 | 0 | 0 | 112.3 | K3 F4 V5 I498 V499 | M1-K3 PolarHBondContact O-N 3.33Å; M1-F4 WeakPolarHBondContact O-CA 3.44Å; M1-F4 VanDerWaalsContact O-CB 3.31Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-V5 HydrophobicContact CG-CG2 4.48Å; M1-V5 PolarHBondContact O-N 2.84Å; M1-V5 VanDerWaalsContact O-N 3.16Å; M1-I498 HydrophobicContact CE-CD1 3.78Å; M1-I498 HydrophobicContact CE-CG1 4.27Å; M1-I498 HydrophobicContact SD-CD1 4.21Å; M1-V499 HydrophobicContact CE-CG2 3.46Å; M1-V499 VanDerWaalsContact CE-CG2 3.46Å | |||
| 2 | S | 74.6 | Confident | 84.5 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -49.7 | -46 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 115.5 | F4 V5 L6 M450 | S2-F4 VanDerWaalsContact C-N 3.31Å; S2-F4 PolarHBondContact O-N 3.46Å; S2-V5 PolarHBondContact O-N 3.3Å; S2-L6 WeakPolarHBondContact O-CG 3.48Å; S2-L6 PolarHBondContact O-N 3.46Å; S2-M450 VanDerWaalsContact O-CE 3.31Å; S2-M450 WeakPolarHBondContact O-CE 3.49Å |
| 3 | K | 80.5 | Confident | 84.9 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.6 | -70.2 | -169.6 | 176.8 | -176 | 0 | 113.2 | M1 K7 Y447 | M1-K3 PolarHBondContact O-N 3.33Å; K3-K7 WeakPolarHBondContact O-CB 3.43Å; K3-K7 PolarHBondContact O-N 3.32Å; K3-K7 VanDerWaalsContact O-N 3.08Å; K3-Y447 HydrophobicContact CB-CD2 4.44Å; K3-Y447 HydrophobicContact CD-CD2 4.49Å; K3-Y447 HydrophobicContact CD-CE2 4.36Å; K3-Y447 HydrophobicContact CG-CD2 3.45Å; K3-Y447 VanDerWaalsContact CG-CD2 3.45Å; K3-Y447 HydrophobicContact CG-CE2 3.52Å; K3-Y447 HydrophobicContact CG-CG 4.04Å |
| 4 | F | 85.3 | Confident | 85.4 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | -179.5 | -177.8 | -95.9 | 0 | 0 | 0 | 111.4 | M1 S2 L6 K7 H8 | M1-F4 WeakPolarHBondContact O-CA 3.44Å; M1-F4 VanDerWaalsContact O-CB 3.31Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.48Å; S2-F4 VanDerWaalsContact C-N 3.31Å; S2-F4 PolarHBondContact O-N 3.46Å; F4-L6 VanDerWaalsContact C-N 3.32Å; F4-L6 PolarHBondContact O-N 3.14Å; F4-K7 PolarHBondContact O-N 3.3Å; F4-H8 AromaticContact CE2-CD2 3.97Å; F4-H8 PolarHBondContact O-N 3.47Å |
| 5 | V | 83.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.2 | -180 | 0 | 0 | 0 | 0 | 111.2 | M1 S2 P9 P502 | M1-V5 HydrophobicContact CG-CG2 4.48Å; M1-V5 PolarHBondContact O-N 2.84Å; M1-V5 VanDerWaalsContact O-N 3.16Å; S2-V5 PolarHBondContact O-N 3.3Å; V5-P9 WeakPolarHBondContact O-CA 3.32Å; V5-P502 HydrophobicContact CG1-CB 3.99Å |
| 6 | L | 82.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 178.9 | -66.3 | 168.4 | 0 | 0 | 0 | 113 | S2 F4 W430 L443 M450 M506 R510 | S2-L6 WeakPolarHBondContact O-CG 3.48Å; S2-L6 PolarHBondContact O-N 3.46Å; F4-L6 VanDerWaalsContact C-N 3.32Å; F4-L6 PolarHBondContact O-N 3.14Å; L6-W430 HydrophobicContact CD2-CH2 4.13Å; L6-W430 HydrophobicContact CD2-CZ3 4.02Å; L6-L443 HydrophobicContact CB-CD2 4.39Å; L6-M450 HydrophobicContact CD1-CE 3.84Å; L6-M450 HydrophobicContact CD2-CE 4.38Å; L6-M450 HydrophobicContact CD2-SD 4.36Å; L6-M450 HydrophobicContact CG-CE 3.86Å; L6-M450 HydrophobicContact CG-SD 4.46Å; L6-M506 HydrophobicContact CB-CE 4.24Å; L6-M506 HydrophobicContact CD2-CE 3.43Å; L6-M506 VanDerWaalsContact CD2-CE 3.43Å; L6-M506 HydrophobicContact CG-CE 4.4Å; L6-R510 PolarHBondContact O-NH2 3.35Å |
| 7 | K | 85.7 | Confident | 86.6 | Confident | 150 Ų | 150 | 64.5 Ų | 64.5 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.9 | -45.3 | 180 | -164 | 173.8 | -177 | 178.4 | 0 | 111.8 | K3 F4 P9 R510 | K3-K7 WeakPolarHBondContact O-CB 3.43Å; K3-K7 PolarHBondContact O-N 3.32Å; K3-K7 VanDerWaalsContact O-N 3.08Å; F4-K7 PolarHBondContact O-N 3.3Å; K7-P9 WeakPolarHBondContact O-CD 3.31Å; K7-R510 PolarHBondContact O-NH2 3.22Å |
| 8 | H | 89.3 | Confident | 86.9 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -118.4 | 61.2 | -177.6 | -59.8 | -71.9 | 0 | 0 | 0 | 113.2 | F4 S10 A11 C12 | F4-H8 AromaticContact CE2-CD2 3.97Å; F4-H8 PolarHBondContact O-N 3.47Å; H8-S10 PolarHBondContact O-N 3.09Å; H8-A11 HydrophobicContact CB-CB 4.42Å; H8-A11 PolarHBondContact O-N 3.42Å; H8-C12 PolarHBondContact O-N 2.96Å; H8-C12 PolarHBondContact O-SG 3.06Å |
| 9 | P | 88.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.9 | -31.2 | -172.5 | 30 | -37 | 0 | 0 | 0 | 112.8 | V5 K7 A13 S503 M506 L507 | V5-P9 WeakPolarHBondContact O-CA 3.32Å; K7-P9 WeakPolarHBondContact O-CD 3.31Å; P9-A13 VanDerWaalsContact O-CB 3.31Å; P9-A13 WeakPolarHBondContact O-CB 3.26Å; P9-A13 PolarHBondContact O-N 3.48Å; P9-S503 WeakPolarHBondContact O-CB 3.37Å; P9-M506 HydrophobicContact CB-CB 4.07Å; P9-M506 HydrophobicContact CB-CG 4.01Å; P9-M506 HydrophobicContact CG-CB 4.46Å; P9-M506 HydrophobicContact CG-CG 3.87Å; P9-L507 HydrophobicContact CB-CD2 4.41Å; P9-L507 HydrophobicContact CB-CG 4.12Å; P9-L507 HydrophobicContact CG-CD2 4.22Å; P9-L507 HydrophobicContact CG-CG 4.42Å |
| 10 | S | 90.1 | Very high | 87.5 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 47% | 0.469 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 176.8 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | H8 A13 V14 | H8-S10 PolarHBondContact O-N 3.09Å; S10-A13 PolarHBondContact O-N 3.43Å; S10-V14 WeakPolarHBondContact O-CG2 3.33Å; S10-V14 PolarHBondContact O-N 3.33Å |
| 11 | A | 92.1 | Very high | 87.8 | Confident | 51 Ų | 51 | 61 Ų | 61 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H8 A13 V14 V15 | H8-A11 HydrophobicContact CB-CB 4.42Å; H8-A11 PolarHBondContact O-N 3.42Å; A11-A13 PolarHBondContact O-N 3.19Å; A11-V14 PolarHBondContact O-N 3.43Å; A11-V15 WeakPolarHBondContact O-CB 3.47Å; A11-V15 VanDerWaalsContact O-CG2 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.42Å; A11-V15 PolarHBondContact O-N 3.23Å |
| 12 | C | 92.2 | Very high | 89 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | H8 S16 V499 | H8-C12 PolarHBondContact O-N 2.96Å; H8-C12 PolarHBondContact O-SG 3.06Å; C12-S16 WeakPolarHBondContact O-CB 3.25Å; C12-S16 PolarHBondContact O-N 3.47Å; C12-S16 PolarHBondContact O-OG 3.27Å; C12-V499 HydrophobicContact CB-CG1 4.29Å |
| 13 | A | 89.8 | Confident | 89.9 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P9 S10 A11 S16 F17 W500 L507 | P9-A13 VanDerWaalsContact O-CB 3.31Å; P9-A13 WeakPolarHBondContact O-CB 3.26Å; P9-A13 PolarHBondContact O-N 3.48Å; S10-A13 PolarHBondContact O-N 3.43Å; A11-A13 PolarHBondContact O-N 3.19Å; A13-S16 WeakPolarHBondContact CA-OG 3.47Å; A13-S16 PolarHBondContact O-OG 3.43Å; A13-S16 VanDerWaalsContact O-OG 3.06Å; A13-F17 VanDerWaalsContact O-CB 3.3Å; A13-F17 WeakPolarHBondContact O-CB 3.43Å; A13-F17 PolarHBondContact O-N 3.03Å; A13-W500 HydrophobicContact CB-CZ3 4.31Å; A13-W500 WeakPolarHBondContact O-CZ3 3.22Å; A13-L507 HydrophobicContact CB-CD1 3.75Å |
| 14 | V | 91.8 | Very high | 90.4 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | 179 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | S10 A11 F17 M18 | S10-V14 WeakPolarHBondContact O-CG2 3.33Å; S10-V14 PolarHBondContact O-N 3.33Å; A11-V14 PolarHBondContact O-N 3.43Å; V14-F17 PolarHBondContact O-N 3.5Å; V14-M18 HydrophobicContact CG1-CG 4.27Å; V14-M18 WeakPolarHBondContact O-CB 3.16Å; V14-M18 VanDerWaalsContact O-CG 3.26Å; V14-M18 WeakPolarHBondContact O-CG 3.27Å; V14-M18 PolarHBondContact O-N 3.29Å |
| 15 | V | 92.9 | Very high | 90.8 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | A11 M18 S19 | A11-V15 WeakPolarHBondContact O-CB 3.47Å; A11-V15 VanDerWaalsContact O-CG2 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.42Å; A11-V15 PolarHBondContact O-N 3.23Å; V15-M18 PolarHBondContact O-N 3.06Å; V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.2Å; V15-S19 PolarHBondContact O-N 2.98Å; V15-S19 PolarHBondContact O-OG 3.35Å; V15-S19 VanDerWaalsContact O-OG 3.13Å |
| 16 | S | 91.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 55 Ų | 55 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 178.3 | 47.7 | 0 | 0 | 0 | 0 | 112 | C12 A13 S19 G20 | C12-S16 WeakPolarHBondContact O-CB 3.25Å; C12-S16 PolarHBondContact O-N 3.47Å; C12-S16 PolarHBondContact O-OG 3.27Å; A13-S16 WeakPolarHBondContact CA-OG 3.47Å; A13-S16 PolarHBondContact O-OG 3.43Å; A13-S16 VanDerWaalsContact O-OG 3.06Å; S16-S19 WeakPolarHBondContact CA-OG 3.46Å; S16-S19 PolarHBondContact O-N 2.9Å; S16-S19 PolarHBondContact O-OG 3.3Å; S16-G20 PolarHBondContact O-N 2.98Å |
| 17 | F | 92.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 37% | 0.368 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 175.5 | -171.2 | -94.4 | 0 | 0 | 0 | 112.5 | A13 V14 S19 G20 C21 I382 F386 W500 | A13-F17 VanDerWaalsContact O-CB 3.3Å; A13-F17 WeakPolarHBondContact O-CB 3.43Å; A13-F17 PolarHBondContact O-N 3.03Å; V14-F17 PolarHBondContact O-N 3.5Å; F17-S19 PolarHBondContact O-N 3.46Å; F17-G20 PolarHBondContact O-N 3.04Å; F17-C21 PolarHBondContact O-N 3.5Å; F17-C21 PolarHBondContact O-SG 3.3Å; F17-C21 VanDerWaalsContact O-SG 3.37Å; F17-I382 HydrophobicContact CD2-CG2 4.46Å; F17-I382 HydrophobicContact CE2-CG2 4.31Å; F17-F386 AromaticContact CD2-CE2 3.53Å; F17-F386 HydrophobicContact CD2-CE2 3.53Å; F17-F386 AromaticContact CD2-CZ 3.74Å; F17-F386 HydrophobicContact CD2-CZ 3.74Å; F17-F386 AromaticContact CE2-CE2 3.88Å; F17-F386 HydrophobicContact CE2-CE2 3.88Å; F17-F386 AromaticContact CE2-CZ 3.64Å; F17-F386 HydrophobicContact CE2-CZ 3.64Å; F17-F386 HydrophobicContact CG-CE2 4.18Å; F17-F386 HydrophobicContact CG-CZ 4.38Å; F17-F386 HydrophobicContact CZ-CZ 4.21Å; F17-W500 HydrophobicContact CB-CH2 4.19Å; F17-W500 HydrophobicContact CB-CZ3 3.78Å; F17-W500 AromaticContact CD2-CH2 3.66Å; F17-W500 HydrophobicContact CD2-CH2 3.66Å; F17-W500 HydrophobicContact CD2-CZ2 4.47Å; F17-W500 HydrophobicContact CD2-CZ3 4.12Å; F17-W500 HydrophobicContact CG-CH2 4.37Å; F17-W500 HydrophobicContact CG-CZ3 4.44Å |
| 18 | M | 93.2 | Very high | 91.5 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 179.3 | -69.7 | -59.2 | -65.1 | 0 | 0 | 111.5 | V14 V15 C21 I22 | V14-M18 HydrophobicContact CG1-CG 4.27Å; V14-M18 WeakPolarHBondContact O-CB 3.16Å; V14-M18 VanDerWaalsContact O-CG 3.26Å; V14-M18 WeakPolarHBondContact O-CG 3.27Å; V14-M18 PolarHBondContact O-N 3.29Å; V15-M18 PolarHBondContact O-N 3.06Å; M18-C21 PolarHBondContact O-N 3.11Å; M18-I22 WeakPolarHBondContact O-CD1 3.23Å; M18-I22 VanDerWaalsContact O-CG1 3.26Å; M18-I22 WeakPolarHBondContact O-CG1 3.35Å; M18-I22 PolarHBondContact O-N 2.67Å |
| 19 | S | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.7 | 69.4 | 0 | 0 | 0 | 0 | 112 | V15 S16 F17 I22 L23 | V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.2Å; V15-S19 PolarHBondContact O-N 2.98Å; V15-S19 PolarHBondContact O-OG 3.35Å; V15-S19 VanDerWaalsContact O-OG 3.13Å; S16-S19 WeakPolarHBondContact CA-OG 3.46Å; S16-S19 PolarHBondContact O-N 2.9Å; S16-S19 PolarHBondContact O-OG 3.3Å; F17-S19 PolarHBondContact O-N 3.46Å; S19-I22 PolarHBondContact O-N 3.48Å; S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 VanDerWaalsContact O-CG 3.24Å; S19-L23 WeakPolarHBondContact O-CG 3.49Å; S19-L23 PolarHBondContact O-N 2.68Å |
| 20 | G | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S16 F17 I22 L23 T24 | S16-G20 PolarHBondContact O-N 2.98Å; F17-G20 PolarHBondContact O-N 3.04Å; G20-I22 PolarHBondContact O-N 2.84Å; G20-L23 PolarHBondContact O-N 3.42Å; G20-T24 WeakPolarHBondContact O-CB 3.24Å; G20-T24 WeakPolarHBondContact O-CG2 3.41Å; G20-T24 PolarHBondContact O-N 3.29Å; G20-T24 PolarHBondContact O-OG1 3.02Å; G20-T24 VanDerWaalsContact O-OG1 3.1Å |
| 21 | C | 93.5 | Very high | 91.1 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 175.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | F17 M18 L23 T24 V25 F386 | F17-C21 PolarHBondContact O-N 3.5Å; F17-C21 PolarHBondContact O-SG 3.3Å; F17-C21 VanDerWaalsContact O-SG 3.37Å; M18-C21 PolarHBondContact O-N 3.11Å; C21-L23 PolarHBondContact O-N 3.28Å; C21-T24 PolarHBondContact O-N 3.26Å; C21-T24 PolarHBondContact O-OG1 3.29Å; C21-V25 WeakPolarHBondContact O-CB 3.45Å; C21-V25 VanDerWaalsContact O-CG2 3.26Å; C21-V25 WeakPolarHBondContact O-CG2 3.46Å; C21-V25 PolarHBondContact O-N 3.39Å; C21-F386 VanDerWaalsContact SG-CZ 3.52Å |
| 22 | I | 94.1 | Very high | 90.7 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -50.4 | -178.5 | -69 | 165.8 | 0 | 0 | 0 | 110.6 | M18 S19 G20 T24 V25 I26 | M18-I22 WeakPolarHBondContact O-CD1 3.23Å; M18-I22 VanDerWaalsContact O-CG1 3.26Å; M18-I22 WeakPolarHBondContact O-CG1 3.35Å; M18-I22 PolarHBondContact O-N 2.67Å; S19-I22 PolarHBondContact O-N 3.48Å; G20-I22 PolarHBondContact O-N 2.84Å; I22-T24 VanDerWaalsContact C-N 3.29Å; I22-T24 PolarHBondContact O-N 3.28Å; I22-V25 PolarHBondContact O-N 2.9Å; I22-I26 HydrophobicContact CG2-CD1 3.69Å; I22-I26 HydrophobicContact CG2-CG1 4.28Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.45Å; I22-I26 PolarHBondContact O-N 2.85Å |
| 23 | L | 93.7 | Very high | 90.2 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -32.3 | -177.8 | -67.4 | 169.1 | 0 | 0 | 0 | 112.2 | S19 G20 C21 P27 T390 C393 | S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 VanDerWaalsContact O-CG 3.24Å; S19-L23 WeakPolarHBondContact O-CG 3.49Å; S19-L23 PolarHBondContact O-N 2.68Å; G20-L23 PolarHBondContact O-N 3.42Å; C21-L23 PolarHBondContact O-N 3.28Å; L23-P27 WeakPolarHBondContact O-CD 3.08Å; L23-T390 HydrophobicContact CB-CG2 4.19Å; L23-T390 HydrophobicContact CD1-CG2 3.7Å; L23-T390 HydrophobicContact CG-CG2 4.49Å; L23-C393 WeakPolarHBondContact O-CB 3.29Å |
| 24 | T | 91.8 | Very high | 90 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 17% | 0.172 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.3 | -32.2 | 174.4 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | G20 C21 I22 F386 | G20-T24 WeakPolarHBondContact O-CB 3.24Å; G20-T24 WeakPolarHBondContact O-CG2 3.41Å; G20-T24 PolarHBondContact O-N 3.29Å; G20-T24 PolarHBondContact O-OG1 3.02Å; G20-T24 VanDerWaalsContact O-OG1 3.1Å; C21-T24 PolarHBondContact O-N 3.26Å; C21-T24 PolarHBondContact O-OG1 3.29Å; I22-T24 VanDerWaalsContact C-N 3.29Å; I22-T24 PolarHBondContact O-N 3.28Å; T24-F386 HydrophobicContact CG2-CD1 3.99Å |
| 25 | V | 92.1 | Very high | 89.6 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 42% | 0.424 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -84.2 | -35.8 | -174.6 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | C21 I22 L28 I29 | C21-V25 WeakPolarHBondContact O-CB 3.45Å; C21-V25 VanDerWaalsContact O-CG2 3.26Å; C21-V25 WeakPolarHBondContact O-CG2 3.46Å; C21-V25 PolarHBondContact O-N 3.39Å; I22-V25 PolarHBondContact O-N 2.9Å; V25-L28 WeakPolarHBondContact O-CB 3.27Å; V25-L28 PolarHBondContact O-N 3.32Å; V25-L28 VanDerWaalsContact O-N 3.11Å; V25-I29 HydrophobicContact CG1-CD1 3.53Å; V25-I29 HydrophobicContact CG1-CG1 4.1Å; V25-I29 PolarHBondContact O-N 2.8Å |
| 26 | I | 91.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -47.3 | -57.2 | 179.7 | -74.1 | 166 | 0 | 0 | 0 | 112.7 | I22 L28 I29 F30 T397 | I22-I26 HydrophobicContact CG2-CD1 3.69Å; I22-I26 HydrophobicContact CG2-CG1 4.28Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.45Å; I22-I26 PolarHBondContact O-N 2.85Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 2.94Å; I26-I29 PolarHBondContact O-N 3.3Å; I26-I29 VanDerWaalsContact O-N 3.1Å; I26-F30 HydrophobicContact CG2-CD2 3.97Å; I26-F30 HydrophobicContact CG2-CE2 4.44Å; I26-F30 VanDerWaalsContact O-CD2 3.3Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.46Å; I26-F30 VanDerWaalsContact O-N 3.13Å; I26-T397 HydrophobicContact CG2-CG2 4.23Å |
| 27 | P | 87.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.4 | -23.4 | -175.5 | 29.7 | -37.7 | 0 | 0 | 0 | 112.9 | L23 I29 E31 Y392 C393 T397 | L23-P27 WeakPolarHBondContact O-CD 3.08Å; P27-I29 VanDerWaalsContact C-N 3.26Å; P27-I29 PolarHBondContact O-N 3.23Å; P27-E31 WeakPolarHBondContact O-CB 3.23Å; P27-E31 PolarHBondContact O-N 3.43Å; P27-E31 VanDerWaalsContact O-N 3.14Å; P27-Y392 HydrophobicContact CB-CD1 3.61Å; P27-Y392 HydrophobicContact CB-CE1 3.62Å; P27-Y392 HydrophobicContact CG-CD1 3.58Å; P27-Y392 HydrophobicContact CG-CE1 4.07Å; P27-C393 HydrophobicContact CG-CB 3.91Å; P27-T397 HydrophobicContact CB-CG2 4.47Å |
| 28 | L | 87.4 | Confident | 88.2 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 60% | 0.602 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -71.8 | -20.9 | 174.5 | -67.7 | 170.6 | 0 | 0 | 0 | 113 | V25 I26 | V25-L28 WeakPolarHBondContact O-CB 3.27Å; V25-L28 PolarHBondContact O-N 3.32Å; V25-L28 VanDerWaalsContact O-N 3.11Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 2.94Å |
| 29 | I | 89.4 | Confident | 87.7 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -92.6 | -42.9 | 179.1 | -64.3 | 174.9 | 0 | 0 | 0 | 111.1 | V25 I26 P27 | V25-I29 HydrophobicContact CG1-CD1 3.53Å; V25-I29 HydrophobicContact CG1-CG1 4.1Å; V25-I29 PolarHBondContact O-N 2.8Å; I26-I29 PolarHBondContact O-N 3.3Å; I26-I29 VanDerWaalsContact O-N 3.1Å; P27-I29 VanDerWaalsContact C-N 3.26Å; P27-I29 PolarHBondContact O-N 3.23Å |
| 30 | F | 86.2 | Confident | 87.2 | Confident | 158 Ų | 158 | 67.6 Ų | 67.6 | 69% | 0.693 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -94.8 | -22.7 | -169.6 | -70 | -72 | 0 | 0 | 0 | 114.5 | I26 | I26-F30 HydrophobicContact CG2-CD2 3.97Å; I26-F30 HydrophobicContact CG2-CE2 4.44Å; I26-F30 VanDerWaalsContact O-CD2 3.3Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.46Å; I26-F30 VanDerWaalsContact O-N 3.13Å |
| 31 | E | 84.5 | Confident | 86.8 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -107.7 | 146 | -177.3 | -59.3 | -67.9 | 165.5 | 0 | 0 | 111.3 | P27 | P27-E31 WeakPolarHBondContact O-CB 3.23Å; P27-E31 PolarHBondContact O-N 3.43Å; P27-E31 VanDerWaalsContact O-N 3.14Å |
| 32 | E | 83.6 | Confident | 86.3 | Confident | 179 Ų | 179 | 69 Ų | 69 | 84% | 0.836 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 144.8 | 170.7 | -68.4 | -178.3 | 177.3 | 0 | 0 | 110 | ||
| 33 | L | 82.5 | Confident | 85.9 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 140.7 | 176.3 | -71.8 | 169.7 | 0 | 0 | 0 | 110 | ||
| 34 | P | 84.7 | Confident | 85.6 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 136.9 | -175.5 | 28.3 | -36 | 0 | 0 | 0 | 111.5 | F36 F404 | P34-F36 HydrophobicContact CB-CE1 4.45Å; P34-F36 HydrophobicContact CB-CZ 4.07Å; P34-F36 HydrophobicContact CG-CE2 4.26Å; P34-F36 HydrophobicContact CG-CZ 3.96Å; P34-F404 HydrophobicContact CB-CB 3.72Å; P34-F404 HydrophobicContact CB-CD1 3.93Å; P34-F404 HydrophobicContact CB-CG 4.14Å; P34-F404 HydrophobicContact CG-CD1 4.02Å; P34-F404 HydrophobicContact CG-CG 4.48Å |
| 35 | D | 83.7 | Confident | 85.6 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 134.3 | 176.2 | -168.7 | 23 | 0 | 0 | 0 | 112 | S37 K347 | D35-S37 PolarHBondContact OD1-N 3.42Å; D35-S37 PolarHBondContact OD1-OG 3.48Å; D35-S37 WeakPolarHBondContact OD2-CB 3.44Å; D35-S37 PolarHBondContact OD2-OG 2.97Å; D35-K347 IonicContact OD1-NZ 3.09Å; D35-K347 PolarHBondContact OD1-NZ 2.9Å |
| 36 | F | 84.6 | Confident | 85.6 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | trans | -117.9 | 26.9 | 179.4 | -52.8 | -64.9 | 0 | 0 | 0 | 112 | P34 L350 F351 F404 F406 L409 | P34-F36 HydrophobicContact CB-CE1 4.45Å; P34-F36 HydrophobicContact CB-CZ 4.07Å; P34-F36 HydrophobicContact CG-CE2 4.26Å; P34-F36 HydrophobicContact CG-CZ 3.96Å; F36-L350 HydrophobicContact CB-CD2 4.33Å; F36-L350 HydrophobicContact CD2-CD2 4.21Å; F36-L350 HydrophobicContact CG-CD2 4.21Å; F36-F351 HydrophobicContact CD2-CE2 4.45Å; F36-F351 HydrophobicContact CD2-CZ 4Å; F36-F351 HydrophobicContact CE2-CZ 4.26Å; F36-F404 AromaticContact CE1-CD1 3.98Å; F36-F404 HydrophobicContact CE1-CD1 3.98Å; F36-F404 WeakPolarHBondContact CE1-O 3.39Å; F36-F404 AromaticContact CZ-CD1 3.87Å; F36-F404 HydrophobicContact CZ-CD1 3.87Å; F36-F404 HydrophobicContact CZ-CE1 4.17Å; F36-F406 HydrophobicContact CD1-CB 3.64Å; F36-F406 VanDerWaalsContact CE1-CA 3.48Å; F36-F406 HydrophobicContact CE1-CB 3.93Å; F36-F406 HydrophobicContact CG-CB 4.35Å; F36-L409 HydrophobicContact CE2-CD1 4.1Å; F36-L409 HydrophobicContact CZ-CD1 3.96Å; F36-L409 HydrophobicContact CZ-CD2 4.4Å; F36-L409 HydrophobicContact CZ-CG 4.24Å | ||
| 37 | S | 79.3 | Confident | 85.4 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 38% | 0.378 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -61.7 | -42.1 | -178.3 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | D35 K347 | D35-S37 PolarHBondContact OD1-N 3.42Å; D35-S37 PolarHBondContact OD1-OG 3.48Å; D35-S37 WeakPolarHBondContact OD2-CB 3.44Å; D35-S37 PolarHBondContact OD2-OG 2.97Å; S37-K347 PolarHBondContact OG-NZ 3.47Å |
| 38 | D | 82.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | trans | -109.5 | 108.9 | 173.6 | -177.6 | -7.2 | 0 | 0 | 0 | 110 | T40 M41 | D38-T40 VanDerWaalsContact C-N 3.25Å; D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.18Å; D38-T40 WeakPolarHBondContact OD1-CB 3.27Å; D38-T40 PolarHBondContact OD1-N 3.47Å; D38-T40 PolarHBondContact OD1-OG1 3.08Å; D38-T40 PolarHBondContact OD2-OG1 3.3Å; D38-M41 HydrophobicContact CB-CB 4.41Å; D38-M41 HydrophobicContact CB-CG 3.76Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 PolarHBondContact OD1-N 2.83Å; D38-M41 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 39 | P | 82.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.7 | 178.4 | 30.6 | -35.3 | 0 | 0 | 0 | 113.7 | F43 E343 F346 F406 F605 | P39-F43 WeakPolarHBondContact O-CE2 3.45Å; P39-E343 HydrophobicContact CG-CG 4.19Å; P39-F346 HydrophobicContact CB-CD1 3.7Å; P39-F346 HydrophobicContact CB-CE1 3.54Å; P39-F346 HydrophobicContact CB-CZ 4.2Å; P39-F346 HydrophobicContact CG-CD1 3.99Å; P39-F346 HydrophobicContact CG-CE1 4.33Å; P39-F406 HydrophobicContact CB-CD1 4.42Å; P39-F406 HydrophobicContact CB-CE1 4.22Å; P39-F406 WeakPolarHBondContact O-CE1 3.27Å; P39-F605 HydrophobicContact CB-CD1 4.46Å; P39-F605 HydrophobicContact CB-CE1 4.02Å; P39-F605 HydrophobicContact CB-CZ 4.31Å; P39-F605 HydrophobicContact CG-CD1 4.34Å; P39-F605 HydrophobicContact CG-CD2 4.47Å; P39-F605 HydrophobicContact CG-CE1 3.78Å; P39-F605 HydrophobicContact CG-CE2 3.94Å; P39-F605 HydrophobicContact CG-CZ 3.57Å |
| 40 | T | 83.2 | Confident | 85.8 | Confident | 46 Ų | 46 | 54 Ų | 54 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.1 | 177.7 | 68 | 0 | 0 | 0 | 0 | 113 | D38 G42 F43 F603 F605 | D38-T40 VanDerWaalsContact C-N 3.25Å; D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.18Å; D38-T40 WeakPolarHBondContact OD1-CB 3.27Å; D38-T40 PolarHBondContact OD1-N 3.47Å; D38-T40 PolarHBondContact OD1-OG1 3.08Å; D38-T40 PolarHBondContact OD2-OG1 3.3Å; T40-G42 PolarHBondContact O-N 3.36Å; T40-F43 VanDerWaalsContact O-CB 3.31Å; T40-F43 WeakPolarHBondContact O-CB 3.15Å; T40-F43 VanDerWaalsContact O-CD2 3.25Å; T40-F43 WeakPolarHBondContact O-CD2 3.5Å; T40-F43 PolarHBondContact O-N 3.16Å; T40-F603 HydrophobicContact CG2-CD2 4.1Å; T40-F605 HydrophobicContact CG2-CE1 4.22Å; T40-F605 HydrophobicContact CG2-CZ 3.66Å |
| 41 | M | 84.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 131.2 | 173.4 | -85.9 | -65.4 | 171.6 | 0 | 0 | 111.3 | D38 F43 F403 P653 Y654 | D38-M41 HydrophobicContact CB-CB 4.41Å; D38-M41 HydrophobicContact CB-CG 3.76Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 PolarHBondContact OD1-N 2.83Å; D38-M41 WeakPolarHBondContact OD2-CG 3.39Å; M41-F43 VanDerWaalsContact C-N 3.34Å; M41-F403 HydrophobicContact CB-CE2 4.14Å; M41-F403 HydrophobicContact CB-CZ 4.36Å; M41-F403 WeakPolarHBondContact O-CZ 3.18Å; M41-P653 HydrophobicContact SD-CB 4.46Å; M41-Y654 HydrophobicContact CE-CE1 4.29Å; M41-Y654 HydrophobicContact SD-CE1 4.15Å |
| 42 | G | 82.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 3.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T40 S44 V478 | T40-G42 PolarHBondContact O-N 3.36Å; G42-S44 PolarHBondContact O-N 3.45Å; G42-V478 VanDerWaalsContact C-CG2 3.41Å; G42-V478 VanDerWaalsContact O-CG2 3.23Å; G42-V478 WeakPolarHBondContact O-CG2 3.3Å; G42-V478 PolarHBondContact O-N 3.3Å |
| 43 | F | 87.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | trans | -82.7 | 25.1 | 167.5 | -69.4 | -113.8 | 0 | 0 | 0 | 112 | P39 T40 M41 F406 V478 F603 V898 | P39-F43 WeakPolarHBondContact O-CE2 3.45Å; T40-F43 VanDerWaalsContact O-CB 3.31Å; T40-F43 WeakPolarHBondContact O-CB 3.15Å; T40-F43 VanDerWaalsContact O-CD2 3.25Å; T40-F43 WeakPolarHBondContact O-CD2 3.5Å; T40-F43 PolarHBondContact O-N 3.16Å; M41-F43 VanDerWaalsContact C-N 3.34Å; F43-F406 HydrophobicContact CE2-CE1 4.2Å; F43-F406 HydrophobicContact CZ-CE1 4.27Å; F43-V478 HydrophobicContact CD2-CG2 4.04Å; F43-V478 HydrophobicContact CE2-CG2 4.07Å; F43-F603 HydrophobicContact CB-CZ 4.31Å; F43-F603 AromaticContact CD1-CD1 3.94Å; F43-F603 HydrophobicContact CD1-CD1 3.94Å; F43-F603 AromaticContact CD1-CE1 3.52Å; F43-F603 HydrophobicContact CD1-CE1 3.52Å; F43-F603 HydrophobicContact CD1-CZ 4.01Å; F43-F603 HydrophobicContact CE1-CD1 4.05Å; F43-F603 HydrophobicContact CE1-CE1 4.05Å; F43-F603 HydrophobicContact CG-CE1 4.42Å; F43-V898 HydrophobicContact CD1-CB 3.91Å; F43-V898 HydrophobicContact CD1-CG1 4.34Å; F43-V898 HydrophobicContact CD1-CG2 3.48Å; F43-V898 VanDerWaalsContact CD1-CG2 3.48Å; F43-V898 HydrophobicContact CE1-CB 3.67Å; F43-V898 HydrophobicContact CE1-CG1 4.12Å; F43-V898 HydrophobicContact CE1-CG2 3.8Å; F43-V898 HydrophobicContact CG-CG2 4.47Å | ||
| 44 | S | 87.4 | Confident | 87.3 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -101.5 | 157.9 | 168.3 | 57.7 | 0 | 0 | 0 | 0 | 110 | G42 I477 | G42-S44 PolarHBondContact O-N 3.45Å; S44-I477 PolarHBondContact O-N 3.46Å; S44-I477 WeakPolarHBondContact OG-CD1 3.19Å |
| 45 | T | 91.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -94 | 156.9 | 173.5 | 95.5 | 0 | 0 | 0 | 0 | 110.1 | T48 S51 S475 I476 D837 L838 A841 | T45-T48 WeakPolarHBondContact OG1-CG2 3.32Å; T45-T48 PolarHBondContact OG1-OG1 3.47Å; T45-T48 VanDerWaalsContact OG1-OG1 3.11Å; T45-S51 WeakPolarHBondContact O-CB 3.27Å; T45-S51 PolarHBondContact O-OG 3.32Å; T45-S51 VanDerWaalsContact OG1-CB 3.31Å; T45-S51 WeakPolarHBondContact OG1-CB 3.07Å; T45-S475 CarbonylContact C-O 3.53Å; T45-S475 WeakPolarHBondContact CA-O 3.31Å; T45-I476 HydrophobicContact CG2-CG1 4.49Å; T45-D837 WeakPolarHBondContact CB-OD2 3.39Å; T45-D837 WeakPolarHBondContact CG2-OD2 3.37Å; T45-D837 PolarHBondContact OG1-OD2 3.08Å; T45-L838 HydrophobicContact CG2-CB 4.49Å; T45-L838 HydrophobicContact CG2-CD1 4.33Å; T45-A841 HydrophobicContact CG2-CB 3.51Å |
| 46 | R | 90.6 | Very high | 88 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -135.8 | 133.1 | 176.8 | -70.7 | -74.9 | -178.6 | -112 | 17.9 | 110.2 | E55 S475 I477 R480 D655 | R46-E55 IonicContact CZ-OE1 3.15Å; R46-E55 VanDerWaalsContact CZ-OE1 3.28Å; R46-E55 VanDerWaalsContact NH1-CD 3.26Å; R46-E55 IonicContact NH1-OE1 3.86Å; R46-E55 PolarHBondContact NH1-OE1 3.49Å; R46-E55 IonicContact NH2-OE1 3.84Å; R46-E55 PolarHBondContact NH2-OE1 3.37Å; R46-E55 VanDerWaalsContact NH2-OE1 3.12Å; R46-E55 IonicContact NH2-OE2 3.55Å; R46-S475 PolarHBondContact N-O 3.18Å; R46-I477 HydrophobicContact CB-CG1 4.38Å; R46-I477 HydrophobicContact CG-CD1 3.55Å; R46-I477 HydrophobicContact CG-CG1 3.52Å; R46-R480 PolarHBondContact O-NH1 2.9Å; R46-D655 PolarHBondContact NH2-O 3.25Å |
| 47 | G | 86.9 | Confident | 88.3 | Confident | 63 Ų | 63 | 25.9 Ų | 25.9 | 65% | 0.649 | 16% | 0.162 | S | C | * | . | S | Bend | trans | 83.4 | 10.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 48 | T | 90.7 | Very high | 88.8 | Confident | 26 Ų | 26 | 28.1 Ų | 28.1 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -87.1 | 158.5 | 165.7 | 72.3 | 0 | 0 | 0 | 0 | 109.7 | T45 I50 S51 N52 D837 | T45-T48 WeakPolarHBondContact OG1-CG2 3.32Å; T45-T48 PolarHBondContact OG1-OG1 3.47Å; T45-T48 VanDerWaalsContact OG1-OG1 3.11Å; T48-I50 VanDerWaalsContact C-N 3.28Å; T48-I50 PolarHBondContact O-N 2.89Å; T48-S51 PolarHBondContact O-N 2.87Å; T48-S51 WeakPolarHBondContact OG1-CB 3.13Å; T48-S51 PolarHBondContact OG1-N 3.45Å; T48-N52 WeakPolarHBondContact O-CB 3.28Å; T48-N52 PolarHBondContact O-N 3.26Å; T48-N52 PolarHBondContact O-OD1 2.99Å; T48-D837 PolarHBondContact OG1-OD1 2.95Å; T48-D837 PolarHBondContact OG1-OD2 3.35Å |
| 49 | T | 90.6 | Very high | 89.1 | Confident | 85 Ų | 85 | 25.9 Ų | 25.9 | 52% | 0.521 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | R53 | T49-R53 VanDerWaalsContact O-CG 3.26Å; T49-R53 WeakPolarHBondContact O-CG 3.25Å; T49-R53 PolarHBondContact O-N 2.88Å |
| 50 | I | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.2 | -44.6 | -179.5 | -57.6 | 171.4 | 0 | 0 | 0 | 110.4 | T48 N52 R53 L54 F805 L833 Y836 D837 L840 | T48-I50 VanDerWaalsContact C-N 3.28Å; T48-I50 PolarHBondContact O-N 2.89Å; I50-N52 PolarHBondContact O-N 3.42Å; I50-R53 PolarHBondContact O-N 2.99Å; I50-L54 HydrophobicContact CG2-CD1 4.02Å; I50-L54 HydrophobicContact CG2-CG 4.27Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 2.6Å; I50-F805 HydrophobicContact CD1-CD2 4.42Å; I50-F805 HydrophobicContact CD1-CE1 4.09Å; I50-F805 HydrophobicContact CD1-CE2 4Å; I50-F805 HydrophobicContact CD1-CZ 3.83Å; I50-F805 HydrophobicContact CG1-CE1 4.31Å; I50-F805 HydrophobicContact CG1-CE2 3.96Å; I50-F805 HydrophobicContact CG1-CZ 3.67Å; I50-L833 HydrophobicContact CG2-CB 3.95Å; I50-Y836 HydrophobicContact CD1-CD1 3.88Å; I50-Y836 HydrophobicContact CD1-CE1 3.64Å; I50-D837 HydrophobicContact CB-CB 4.02Å; I50-D837 HydrophobicContact CD1-CB 4.36Å; I50-D837 HydrophobicContact CG2-CB 3.79Å; I50-L840 HydrophobicContact CD1-CD2 4.24Å |
| 51 | S | 91.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | T45 T48 R53 L54 E55 | T45-S51 WeakPolarHBondContact O-CB 3.27Å; T45-S51 PolarHBondContact O-OG 3.32Å; T45-S51 VanDerWaalsContact OG1-CB 3.31Å; T45-S51 WeakPolarHBondContact OG1-CB 3.07Å; T48-S51 PolarHBondContact O-N 2.87Å; T48-S51 WeakPolarHBondContact OG1-CB 3.13Å; T48-S51 PolarHBondContact OG1-N 3.45Å; S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 3.4Å; S51-L54 PolarHBondContact O-N 3.49Å; S51-L54 VanDerWaalsContact O-N 3.11Å; S51-E55 WeakPolarHBondContact O-CB 3.35Å; S51-E55 VanDerWaalsContact O-CG 3.31Å; S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 2.97Å |
| 52 | N | 92.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 178.7 | -71.3 | 0.7 | 0 | 0 | 0 | 111.8 | T48 I50 S56 E644 N645 | T48-N52 WeakPolarHBondContact O-CB 3.28Å; T48-N52 PolarHBondContact O-N 3.26Å; T48-N52 PolarHBondContact O-OD1 2.99Å; I50-N52 PolarHBondContact O-N 3.42Å; N52-S56 WeakPolarHBondContact O-CB 3.35Å; N52-S56 PolarHBondContact O-N 3.5Å; N52-S56 PolarHBondContact O-OG 3.2Å; N52-E644 CarbonylContact C-O 3.54Å; N52-E644 VanDerWaalsContact CB-O 3.26Å; N52-E644 WeakPolarHBondContact CB-O 3.16Å; N52-N645 PolarHBondContact ND2-OD1 3.21Å; N52-N645 VanDerWaalsContact ND2-OD1 3.13Å |
| 53 | R | 93 | Very high | 89.5 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 175.2 | -70.8 | 175.5 | -176.3 | 178.3 | 9.9 | 112.6 | T49 I50 S51 S56 W57 E644 E809 W827 F828 I829 | T49-R53 VanDerWaalsContact O-CG 3.26Å; T49-R53 WeakPolarHBondContact O-CG 3.25Å; T49-R53 PolarHBondContact O-N 2.88Å; I50-R53 PolarHBondContact O-N 2.99Å; S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 3.4Å; R53-S56 PolarHBondContact O-N 3.37Å; R53-W57 WeakPolarHBondContact O-CB 3.37Å; R53-W57 PolarHBondContact O-N 2.85Å; R53-E644 HydrophobicContact CG-CB 3.85Å; R53-E644 IonicContact CZ-OE2 2.75Å; R53-E644 PolarHBondContact N-O 3.13Å; R53-E644 IonicContact NE-OE2 2.68Å; R53-E644 PolarHBondContact NE-OE2 2.83Å; R53-E644 IonicContact NH2-OE2 3.68Å; R53-E644 PolarHBondContact NH2-OE2 3.23Å; R53-E809 IonicContact CZ-OE1 3.85Å; R53-E809 IonicContact CZ-OE2 2.71Å; R53-E809 IonicContact NH1-OE1 3.8Å; R53-E809 IonicContact NH1-OE2 3.46Å; R53-E809 PolarHBondContact NH1-OE2 2.95Å; R53-E809 IonicContact NH2-OE1 2.68Å; R53-E809 PolarHBondContact NH2-OE1 3.33Å; R53-E809 IonicContact NH2-OE2 3.42Å; R53-E809 PolarHBondContact NH2-OE2 3.43Å; R53-W827 HydrophobicContact CB-CE3 3.78Å; R53-W827 HydrophobicContact CB-CZ3 3.71Å; R53-W827 HydrophobicContact CG-CD2 4.08Å; R53-W827 HydrophobicContact CG-CE3 3.57Å; R53-W827 HydrophobicContact CG-CZ3 4.02Å; R53-F828 WeakPolarHBondContact CD-O 3.43Å; R53-F828 PolarHBondContact NH1-O 3.49Å; R53-F828 VanDerWaalsContact NH1-O 3.16Å; R53-I829 HydrophobicContact CB-CD1 3.64Å; R53-I829 HydrophobicContact CB-CG1 4.28Å |
| 54 | L | 91.9 | Very high | 89.2 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 176 | -77.1 | 172.2 | 0 | 0 | 0 | 111.3 | I50 S51 W57 F58 I829 N834 | I50-L54 HydrophobicContact CG2-CD1 4.02Å; I50-L54 HydrophobicContact CG2-CG 4.27Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 2.6Å; S51-L54 PolarHBondContact O-N 3.49Å; S51-L54 VanDerWaalsContact O-N 3.11Å; L54-W57 WeakPolarHBondContact O-CB 3.47Å; L54-W57 PolarHBondContact O-N 2.89Å; L54-F58 WeakPolarHBondContact O-CB 3.25Å; L54-F58 PolarHBondContact O-N 3.29Å; L54-I829 HydrophobicContact CD2-CD1 3.84Å; L54-I829 HydrophobicContact CD2-CG1 4.06Å; L54-I829 HydrophobicContact CG-CD1 3.93Å; L54-N834 HydrophobicContact CD1-CB 4.19Å |
| 55 | E | 91.6 | Very high | 88.5 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 177.7 | -68.5 | -57.1 | 152.3 | 0 | 0 | 112 | R46 S51 W57 F58 N59 S646 H656 | R46-E55 IonicContact CZ-OE1 3.15Å; R46-E55 VanDerWaalsContact CZ-OE1 3.28Å; R46-E55 VanDerWaalsContact NH1-CD 3.26Å; R46-E55 IonicContact NH1-OE1 3.86Å; R46-E55 PolarHBondContact NH1-OE1 3.49Å; R46-E55 IonicContact NH2-OE1 3.84Å; R46-E55 PolarHBondContact NH2-OE1 3.37Å; R46-E55 VanDerWaalsContact NH2-OE1 3.12Å; R46-E55 IonicContact NH2-OE2 3.55Å; S51-E55 WeakPolarHBondContact O-CB 3.35Å; S51-E55 VanDerWaalsContact O-CG 3.31Å; S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 2.97Å; E55-W57 VanDerWaalsContact C-N 3.28Å; E55-W57 PolarHBondContact O-N 3.35Å; E55-F58 PolarHBondContact O-N 2.88Å; E55-N59 VanDerWaalsContact O-CG 3.31Å; E55-N59 PolarHBondContact O-N 2.95Å; E55-N59 PolarHBondContact O-ND2 2.72Å; E55-N59 VanDerWaalsContact O-ND2 3.08Å; E55-S646 WeakPolarHBondContact CB-OG 3.37Å; E55-H656 IonicContact OE1-ND1 2.88Å; E55-H656 WeakPolarHBondContact OE2-CA 3.41Å; E55-H656 VanDerWaalsContact OE2-CB 3.31Å; E55-H656 WeakPolarHBondContact OE2-CB 3.28Å; E55-H656 IonicContact OE2-CE1 2.83Å; E55-H656 IonicContact OE2-CG 2.7Å; E55-H656 IonicContact OE2-ND1 2.66Å; E55-H656 PolarHBondContact OE2-ND1 2.88Å |
| 56 | S | 91.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | N52 R53 L60 Q643 E644 | N52-S56 WeakPolarHBondContact O-CB 3.35Å; N52-S56 PolarHBondContact O-N 3.5Å; N52-S56 PolarHBondContact O-OG 3.2Å; R53-S56 PolarHBondContact O-N 3.37Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 PolarHBondContact O-N 3.19Å; S56-Q643 PolarHBondContact OG-O 2.89Å; S56-E644 PolarHBondContact OG-O 3.06Å; S56-E644 VanDerWaalsContact OG-O 3.09Å |
| 57 | W | 91.3 | Very high | 86.7 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 175.3 | -179.2 | -120.5 | 0 | 0 | 0 | 112.7 | R53 L54 E55 L60 K61 H637 V639 F769 I785 W827 I829 D831 | R53-W57 WeakPolarHBondContact O-CB 3.37Å; R53-W57 PolarHBondContact O-N 2.85Å; L54-W57 WeakPolarHBondContact O-CB 3.47Å; L54-W57 PolarHBondContact O-N 2.89Å; E55-W57 VanDerWaalsContact C-N 3.28Å; E55-W57 PolarHBondContact O-N 3.35Å; W57-L60 HydrophobicContact CE3-CD2 3.85Å; W57-L60 HydrophobicContact CZ3-CD2 3.84Å; W57-L60 WeakPolarHBondContact O-CB 3.42Å; W57-L60 PolarHBondContact O-N 3.43Å; W57-K61 VanDerWaalsContact CE2-CE 3.41Å; W57-K61 VanDerWaalsContact CZ2-CE 3.49Å; W57-K61 PolarHBondContact O-N 2.95Å; W57-H637 HydrophobicContact CH2-CB 4.09Å; W57-H637 AromaticContact CH2-CG 3.89Å; W57-H637 HydrophobicContact CZ2-CB 4.31Å; W57-H637 AromaticContact CZ2-CD2 3.74Å; W57-H637 AromaticContact CZ2-CG 3.79Å; W57-H637 HydrophobicContact CZ3-CB 4.43Å; W57-V639 HydrophobicContact CE3-CG2 4.02Å; W57-V639 HydrophobicContact CZ3-CG2 3.89Å; W57-F769 HydrophobicContact CH2-CB 4.4Å; W57-I785 HydrophobicContact CH2-CD1 4.19Å; W57-I785 HydrophobicContact CH2-CG2 4.08Å; W57-I785 HydrophobicContact CZ3-CD1 3.85Å; W57-I785 HydrophobicContact CZ3-CG1 4.34Å; W57-I785 HydrophobicContact CZ3-CG2 4.19Å; W57-W827 HydrophobicContact CB-CH2 4.29Å; W57-I829 HydrophobicContact CB-CG1 4.38Å; W57-I829 HydrophobicContact CB-CG2 4.22Å; W57-I829 HydrophobicContact CD2-CG2 3.9Å; W57-I829 HydrophobicContact CE3-CG2 4.13Å; W57-I829 HydrophobicContact CG-CG2 3.93Å; W57-D831 PolarHBondContact NE1-OD1 3.02Å |
| 58 | F | 89.4 | Confident | 86.1 | Confident | 101 Ų | 101 | 41.3 Ų | 41.3 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.1 | -179.3 | -95.9 | 0 | 0 | 0 | 111.4 | L54 E55 L60 K61 E62 H656 | L54-F58 WeakPolarHBondContact O-CB 3.25Å; L54-F58 PolarHBondContact O-N 3.29Å; E55-F58 PolarHBondContact O-N 2.88Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 3.36Å; F58-K61 WeakPolarHBondContact O-CB 3.44Å; F58-K61 PolarHBondContact O-N 3.4Å; F58-E62 PolarHBondContact O-N 3.49Å; F58-H656 HydrophobicContact CD1-CB 4.12Å; F58-H656 AromaticContact CD1-CG 3.81Å; F58-H656 AromaticContact CD1-ND1 3.9Å; F58-H656 HydrophobicContact CE1-CB 4.39Å; F58-H656 AromaticContact CE1-CD2 3.7Å; F58-H656 AromaticContact CE1-CG 3.81Å; F58-H656 AromaticContact CE1-NE2 3.93Å |
| 59 | N | 89.1 | Confident | 85.5 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -34.4 | 176.3 | -68.7 | -38.4 | 0 | 0 | 0 | 112.2 | E55 E62 H63 H656 L659 | E55-N59 VanDerWaalsContact O-CG 3.31Å; E55-N59 PolarHBondContact O-N 2.95Å; E55-N59 PolarHBondContact O-ND2 2.72Å; E55-N59 VanDerWaalsContact O-ND2 3.08Å; N59-E62 PolarHBondContact O-N 3.32Å; N59-H63 PolarHBondContact O-CD2 3.49Å; N59-H63 PolarHBondContact O-N 2.9Å; N59-H656 PolarHBondContact ND2-O 3.24Å; N59-L659 HydrophobicContact CB-CB 4.09Å; N59-L659 HydrophobicContact CB-CD1 4.03Å |
| 60 | L | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 175.6 | -175 | 58.9 | 0 | 0 | 0 | 111.2 | S56 W57 F58 E62 H63 V64 W70 V639 V642 L659 L773 I785 | S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 PolarHBondContact O-N 3.19Å; W57-L60 HydrophobicContact CE3-CD2 3.85Å; W57-L60 HydrophobicContact CZ3-CD2 3.84Å; W57-L60 WeakPolarHBondContact O-CB 3.42Å; W57-L60 PolarHBondContact O-N 3.43Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 3.36Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 3.02Å; L60-H63 PolarHBondContact O-N 2.87Å; L60-V64 WeakPolarHBondContact O-CG2 3.06Å; L60-V64 PolarHBondContact O-N 3.24Å; L60-W70 HydrophobicContact CD1-CE3 3.53Å; L60-W70 HydrophobicContact CD1-CZ3 3.35Å; L60-V639 HydrophobicContact CD2-CG1 4.03Å; L60-V642 HydrophobicContact CD1-CG2 4.25Å; L60-L659 VanDerWaalsContact CA-CD1 3.41Å; L60-L659 HydrophobicContact CB-CD1 3.6Å; L60-L659 HydrophobicContact CD1-CD1 3.99Å; L60-L659 HydrophobicContact CG-CD1 4.39Å; L60-L659 VanDerWaalsContact N-CD1 3.3Å; L60-L773 HydrophobicContact CD1-CD1 4.26Å; L60-I785 HydrophobicContact CD2-CD1 3.85Å; L60-I785 HydrophobicContact CD2-CG1 4.36Å |
| 61 | K | 85.9 | Confident | 84.3 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 174.1 | -78.3 | -178.5 | 167.7 | 176.6 | 0 | 111 | W57 F58 H63 V64 S65 F769 D831 | W57-K61 VanDerWaalsContact CE2-CE 3.41Å; W57-K61 VanDerWaalsContact CZ2-CE 3.49Å; W57-K61 PolarHBondContact O-N 2.95Å; F58-K61 WeakPolarHBondContact O-CB 3.44Å; F58-K61 PolarHBondContact O-N 3.4Å; K61-H63 VanDerWaalsContact C-N 3.35Å; K61-H63 PolarHBondContact O-N 3.22Å; K61-V64 PolarHBondContact O-N 3.01Å; K61-S65 PolarHBondContact O-N 3.4Å; K61-S65 PolarHBondContact O-OG 2.91Å; K61-F769 HydrophobicContact CB-CE1 4.41Å; K61-F769 HydrophobicContact CB-CZ 4.1Å; K61-F769 HydrophobicContact CG-CE1 4.08Å; K61-F769 HydrophobicContact CG-CE2 4.34Å; K61-F769 HydrophobicContact CG-CZ 3.98Å; K61-D831 IonicContact NZ-OD1 2.67Å; K61-D831 PolarHBondContact NZ-OD1 3.24Å; K61-D831 IonicContact NZ-OD2 2.7Å |
| 62 | E | 83.8 | Confident | 83.4 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 178.7 | -158.4 | -152.5 | 165.5 | 0 | 0 | 112.6 | F58 N59 L60 V64 L66 K67 | F58-E62 PolarHBondContact O-N 3.49Å; N59-E62 PolarHBondContact O-N 3.32Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 3.02Å; E62-V64 VanDerWaalsContact C-N 3.33Å; E62-V64 PolarHBondContact O-N 3.3Å; E62-L66 HydrophobicContact CG-CB 4.18Å; E62-L66 HydrophobicContact CG-CD1 3.63Å; E62-L66 WeakPolarHBondContact O-CB 3.5Å; E62-L66 PolarHBondContact O-N 3.34Å; E62-L66 VanDerWaalsContact O-N 3.09Å; E62-K67 PolarHBondContact O-N 3.06Å; E62-K67 WeakPolarHBondContact OE1-CE 3.13Å; E62-K67 IonicContact OE1-NZ 3.84Å; E62-K67 PolarHBondContact OE1-NZ 3.18Å; E62-K67 VanDerWaalsContact OE1-NZ 3.09Å; E62-K67 IonicContact OE2-NZ 3.75Å; E62-K67 PolarHBondContact OE2-NZ 3.43Å |
| 63 | H | 81.7 | Confident | 82.4 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -33.2 | 179 | -88.9 | -59.4 | 0 | 0 | 0 | 113.9 | N59 L60 K61 K67 Q68 E69 | N59-H63 PolarHBondContact O-CD2 3.49Å; N59-H63 PolarHBondContact O-N 2.9Å; L60-H63 PolarHBondContact O-N 2.87Å; K61-H63 VanDerWaalsContact C-N 3.35Å; K61-H63 PolarHBondContact O-N 3.22Å; H63-K67 WeakPolarHBondContact ND1-CD 3.07Å; H63-Q68 PolarHBondContact O-N 2.96Å; H63-Q68 VanDerWaalsContact O-N 3.11Å; H63-E69 IonicContact CE1-OE2 3.8Å; H63-E69 PolarHBondContact CE1-OE2 3.44Å; H63-E69 IonicContact ND1-OE2 3.02Å; H63-E69 PolarHBondContact ND1-OE2 2.91Å; H63-E69 PolarHBondContact O-N 3.46Å |
| 64 | V | 80.7 | Confident | 80.9 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -85.5 | -46.1 | -178.8 | 172 | 0 | 0 | 0 | 0 | 111.4 | L60 K61 E62 Q68 W70 F769 L773 | L60-V64 WeakPolarHBondContact O-CG2 3.06Å; L60-V64 PolarHBondContact O-N 3.24Å; K61-V64 PolarHBondContact O-N 3.01Å; E62-V64 VanDerWaalsContact C-N 3.33Å; E62-V64 PolarHBondContact O-N 3.3Å; V64-Q68 WeakPolarHBondContact O-CA 3.44Å; V64-W70 HydrophobicContact CG2-CB 4.06Å; V64-F769 HydrophobicContact CB-CD1 4.38Å; V64-F769 HydrophobicContact CB-CE1 3.3Å; V64-F769 HydrophobicContact CB-CZ 3.42Å; V64-F769 VanDerWaalsContact CB-CZ 3.42Å; V64-F769 HydrophobicContact CG1-CD1 4.26Å; V64-F769 HydrophobicContact CG1-CE1 3.49Å; V64-F769 VanDerWaalsContact CG1-CE1 3.49Å; V64-F769 HydrophobicContact CG1-CE2 4.22Å; V64-F769 HydrophobicContact CG1-CZ 3.46Å; V64-F769 VanDerWaalsContact CG1-CZ 3.46Å; V64-F769 HydrophobicContact CG2-CD1 4.39Å; V64-F769 HydrophobicContact CG2-CE1 3.57Å; V64-F769 HydrophobicContact CG2-CZ 4.22Å; V64-L773 HydrophobicContact CG1-CD2 4.48Å; V64-L773 HydrophobicContact CG2-CD1 3.89Å; V64-L773 HydrophobicContact CG2-CD2 4.04Å |
| 65 | S | 73.7 | Confident | 79.3 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.2 | -52.1 | -173.2 | 66.3 | 0 | 0 | 0 | 0 | 113 | K61 | K61-S65 PolarHBondContact O-N 3.4Å; K61-S65 PolarHBondContact O-OG 2.91Å |
| 66 | L | 71.7 | Confident | 77 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -49 | -172.3 | -79.3 | 157.4 | 0 | 0 | 0 | 111.9 | E62 | E62-L66 HydrophobicContact CG-CB 4.18Å; E62-L66 HydrophobicContact CG-CD1 3.63Å; E62-L66 WeakPolarHBondContact O-CB 3.5Å; E62-L66 PolarHBondContact O-N 3.34Å; E62-L66 VanDerWaalsContact O-N 3.09Å |
| 67 | K | 73.6 | Confident | 74.3 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 39% | 0.391 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -84.2 | -23.1 | -177.5 | -62.1 | 172.2 | -177.4 | 148 | 0 | 112.7 | E62 H63 E69 | E62-K67 PolarHBondContact O-N 3.06Å; E62-K67 WeakPolarHBondContact OE1-CE 3.13Å; E62-K67 IonicContact OE1-NZ 3.84Å; E62-K67 PolarHBondContact OE1-NZ 3.18Å; E62-K67 VanDerWaalsContact OE1-NZ 3.09Å; E62-K67 IonicContact OE2-NZ 3.75Å; E62-K67 PolarHBondContact OE2-NZ 3.43Å; H63-K67 WeakPolarHBondContact ND1-CD 3.07Å; K67-E69 HydrophobicContact CB-CG 4.01Å; K67-E69 PolarHBondContact O-N 3.15Å; K67-E69 VanDerWaalsContact O-N 3.08Å |
| 68 | Q | 73.7 | Confident | 71.6 | Confident | 135 Ų | 135 | 66.9 Ų | 66.9 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | trans | 50.6 | 27.2 | -175.6 | -61.7 | -174.7 | -19.4 | 0 | 0 | 113.7 | H63 V64 S776 | H63-Q68 PolarHBondContact O-N 2.96Å; H63-Q68 VanDerWaalsContact O-N 3.11Å; V64-Q68 WeakPolarHBondContact O-CA 3.44Å; Q68-S776 PolarHBondContact O-OG 3.29Å | ||
| 69 | E | 78.3 | Confident | 68.7 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | trans | -75.4 | -31.9 | 180 | -75.3 | 179.7 | 155.2 | 0 | 0 | 111 | H63 K67 S776 | H63-E69 IonicContact CE1-OE2 3.8Å; H63-E69 PolarHBondContact CE1-OE2 3.44Å; H63-E69 IonicContact ND1-OE2 3.02Å; H63-E69 PolarHBondContact ND1-OE2 2.91Å; H63-E69 PolarHBondContact O-N 3.46Å; K67-E69 HydrophobicContact CB-CG 4.01Å; K67-E69 PolarHBondContact O-N 3.15Å; K67-E69 VanDerWaalsContact O-N 3.08Å; E69-S776 VanDerWaalsContact O-CB 3.28Å; E69-S776 WeakPolarHBondContact O-CB 3.2Å; E69-S776 PolarHBondContact O-N 3.44Å; E69-S776 PolarHBondContact O-OG 3.24Å | ||
| 70 | W | 81.2 | Confident | 65.8 | Low | 18 Ų | 18 | 83.1 Ų | 83.1 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.5 | 175.9 | -61.4 | -0.5 | 0 | 0 | 0 | 109.2 | L60 V64 V642 L659 P661 Y774 K782 A783 | L60-W70 HydrophobicContact CD1-CE3 3.53Å; L60-W70 HydrophobicContact CD1-CZ3 3.35Å; V64-W70 HydrophobicContact CG2-CB 4.06Å; W70-V642 HydrophobicContact CH2-CG2 4.17Å; W70-V642 HydrophobicContact CZ3-CG2 3.94Å; W70-L659 HydrophobicContact CH2-CD2 3.21Å; W70-L659 HydrophobicContact CZ2-CD2 3.94Å; W70-L659 HydrophobicContact CZ3-CD2 3.83Å; W70-P661 HydrophobicContact CH2-CB 4.22Å; W70-P661 HydrophobicContact CZ2-CB 4.26Å; W70-Y774 CarbonylContact C-O 3.54Å; W70-Y774 VanDerWaalsContact CA-O 3.23Å; W70-Y774 WeakPolarHBondContact CA-O 3.16Å; W70-K782 HydrophobicContact CD2-CB 4.15Å; W70-K782 HydrophobicContact CE3-CB 4.28Å; W70-K782 HydrophobicContact CH2-CB 4.24Å; W70-K782 HydrophobicContact CZ2-CB 4.17Å; W70-K782 HydrophobicContact CZ2-CD 4.35Å; W70-K782 HydrophobicContact CZ2-CG 4.33Å; W70-K782 HydrophobicContact CZ3-CB 4.3Å; W70-A783 HydrophobicContact CE3-CB 4.42Å; W70-A783 HydrophobicContact CZ3-CB 4.03Å |
| 71 | T | 76.9 | Confident | 63 | Low | 39 Ų | 39 | 94.5 Ų | 94.5 | 24% | 0.239 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152 | -174.6 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | Y774 S776 | T71-Y774 PolarHBondContact N-O 2.68Å; T71-Y774 PolarHBondContact O-N 3.5Å; T71-S776 WeakPolarHBondContact CG2-OG 3.44Å; T71-S776 PolarHBondContact OG1-OG 2.89Å |
| 72 | R | 71.7 | Confident | 60.3 | Low | 33 Ų | 33 | 102.6 Ų | 102.6 | 13% | 0.125 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -76 | -29.7 | 172.6 | -74 | -174.6 | -175 | 153.6 | -15.5 | 113.5 | P74 T768 F769 S770 L773 | R72-P74 VanDerWaalsContact C-CD 3.4Å; R72-P74 WeakPolarHBondContact O-CD 3.24Å; R72-T768 PolarHBondContact NH1-O 2.96Å; R72-T768 PolarHBondContact NH2-O 2.67Å; R72-F769 VanDerWaalsContact NH2-N 3.15Å; R72-S770 PolarHBondContact NE-O 3.1Å; R72-S770 PolarHBondContact NH2-O 3.28Å; R72-L773 HydrophobicContact CG-CD2 4.02Å |
| 73 | F | 71.5 | Confident | 57.6 | Low | 45 Ų | 45 | 105 Ų | 105 | 20% | 0.197 | 49% | 0.485 | C | S | . | . | trans | -114.9 | 81.4 | -173.3 | -48.7 | -69.4 | 0 | 0 | 0 | 108.1 | E75 L744 H748 | F73-E75 VanDerWaalsContact C-N 3.29Å; F73-E75 PolarHBondContact O-N 2.98Å; F73-L744 HydrophobicContact CD1-CB 4.18Å; F73-L744 HydrophobicContact CE1-CB 4.1Å; F73-L744 VanDerWaalsContact CE1-O 3.26Å; F73-L744 WeakPolarHBondContact CE1-O 3.39Å; F73-H748 HydrophobicContact CD1-CB 4.32Å; F73-H748 AromaticContact CD2-CE1 3.9Å; F73-H748 AromaticContact CD2-NE2 3.84Å; F73-H748 HydrophobicContact CE1-CB 3.88Å; F73-H748 AromaticContact CE1-CG 3.82Å; F73-H748 AromaticContact CE1-ND1 3.89Å; F73-H748 AromaticContact CE2-CE1 3.26Å; F73-H748 WeakPolarHBondContact CE2-CE1 3.5Å; F73-H748 AromaticContact CE2-CG 3.83Å; F73-H748 AromaticContact CE2-ND1 3.36Å; F73-H748 WeakPolarHBondContact CE2-ND1 3.33Å; F73-H748 AromaticContact CE2-NE2 3.68Å; F73-H748 HydrophobicContact CZ-CB 4.12Å; F73-H748 AromaticContact CZ-CE1 3.65Å; F73-H748 AromaticContact CZ-CG 3.61Å; F73-H748 AromaticContact CZ-ND1 3.2Å; F73-H748 WeakPolarHBondContact CZ-ND1 3.31Å | ||
| 74 | P | 62.3 | Low | 54.9 | Low | 18 Ų | 18 | 113.3 Ų | 113.3 | 12% | 0.117 | 52% | 0.52 | C | S | . | . | trans | -67.2 | 95 | 169.7 | 28.5 | -32.5 | 0 | 0 | 0 | 107.4 | R72 P76 K741 Y774 | R72-P74 VanDerWaalsContact C-CD 3.4Å; R72-P74 WeakPolarHBondContact O-CD 3.24Å; P74-P76 WeakPolarHBondContact O-CD 3.19Å; P74-K741 HydrophobicContact CG-CB 4.41Å; P74-K741 HydrophobicContact CG-CD 3.9Å; P74-K741 HydrophobicContact CG-CG 3.76Å; P74-Y774 HydrophobicContact CG-CD1 4.34Å; P74-Y774 HydrophobicContact CG-CD2 3.83Å; P74-Y774 HydrophobicContact CG-CE2 4.47Å; P74-Y774 HydrophobicContact CG-CG 3.75Å | ||
| 75 | E | 56.5 | Low | 52.5 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | trans | -66.2 | 127.7 | 171.7 | -86.6 | -174.5 | 148.9 | 0 | 0 | 109.5 | F73 V78 | F73-E75 VanDerWaalsContact C-N 3.29Å; F73-E75 PolarHBondContact O-N 2.98Å; E75-V78 WeakPolarHBondContact OE2-CB 3.37Å; E75-V78 WeakPolarHBondContact OE2-CG2 3.49Å | ||
| 76 | P | 44 | Very low | 50.4 | Low | 88 Ų | 88 | 121 Ų | 121 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -72.8 | 128.9 | 144.6 | 31.3 | -23.6 | 0 | 0 | 0 | 106.1 | P74 | P74-P76 WeakPolarHBondContact O-CD 3.19Š|
| 77 | Y | 34.5 | Very low | 48.3 | Very low | 209 Ų | 209 | 121.4 Ų | 121.4 | 82% | 0.82 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 105.3 | 19.6 | 168.7 | -58.5 | -80.9 | 0 | 0 | 0 | 121.9 | ||
| 78 | V | 34.1 | Very low | 46.3 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | trans | -115.2 | 62.2 | 160.6 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | E75 | E75-V78 WeakPolarHBondContact OE2-CB 3.37Å; E75-V78 WeakPolarHBondContact OE2-CG2 3.49Å | ||
| 79 | Y | 29.6 | Very low | 44.1 | Very low | 227 Ų | 227 | 128.1 Ų | 128.1 | 89% | 0.89 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -125 | 20.5 | 155.2 | -145.3 | -93.8 | 0 | 0 | 0 | 112.7 | ||
| 80 | R | 28.3 | Very low | 42 | Very low | 220 Ų | 220 | 130.1 Ų | 130.1 | 83% | 0.83 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -114.4 | 10.3 | 179.9 | -137.3 | 178.9 | -158 | 169.5 | 7 | 116.2 | ||
| 81 | R | 28.7 | Very low | 39.4 | Very low | 240 Ų | 240 | 137.2 Ų | 137.2 | 91% | 0.906 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.9 | 52.6 | 170.2 | -86.8 | -171.3 | -173 | 151.9 | 2.3 | 112.8 | ||
| 82 | K | 29.1 | Very low | 37.2 | Very low | 205 Ų | 205 | 139 Ų | 139 | 89% | 0.891 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -140.6 | 8.2 | 154.7 | -85.4 | -164.9 | 179.1 | 172.5 | 0 | 114.6 | ||
| 83 | T | 27.7 | Very low | 35.3 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -142.4 | 69.3 | -178.5 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 84 | K | 25.6 | Very low | 33.2 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 176.1 | 73.4 | 156.1 | -99.2 | 169.3 | -173.6 | -168.4 | 0 | 109.9 | ||||
| 85 | S | 30.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -131.5 | 99.6 | 137.2 | 75.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 86 | T | 29.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 159 Ų | 159 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -33.6 | 133.5 | 160.9 | 31.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 87 | D | 27.7 | Very low | 29.6 | Very low | 134 Ų | 134 | 160.6 Ų | 160.6 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | 42 | 101.2 | 136.1 | -62.4 | -45.5 | 0 | 0 | 0 | 117.7 | ||||
| 88 | N | 30.6 | Very low | 29.3 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | -144.5 | 113.8 | 123.5 | -100.9 | -22.7 | 0 | 0 | 0 | 110.8 | |||||
| 89 | K | 28 | Very low | 29.1 | Very low | 195 Ų | 195 | 161.7 Ų | 161.7 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -67 | 126.3 | 167.1 | -73.6 | 170.7 | 173.7 | 171.8 | 0 | 109.1 | ||||
| 90 | S | 33 | Very low | 29.1 | Very low | 115 Ų | 115 | 158.7 Ų | 158.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -161.4 | 110.8 | 138.3 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | N | 27.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -17.6 | 140.9 | 160.4 | -59.3 | -24.4 | 0 | 0 | 0 | 118.2 | ||||
| 92 | G | 30.4 | Very low | 29.3 | Very low | 76 Ų | 76 | 155.4 Ų | 155.4 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 166.8 | 92.8 | 158 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 93 | L | 31.2 | Very low | 29.7 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 15.3 | 121.8 | 158.2 | -101.5 | 72.1 | 0 | 0 | 0 | 120.3 | ||||
| 94 | A | 27.3 | Very low | 29.8 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -80.6 | 147.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 95 | P | 30.3 | Very low | 30.1 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -123.1 | 144.1 | 142.5 | 27.6 | -11.8 | 0 | 0 | 0 | 112.6 | V97 | P95-V97 PolarHBondContact O-N 3Š| ||
| 96 | R | 27.4 | Very low | 30.3 | Very low | 250 Ų | 250 | 141.6 Ų | 141.6 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | trans | -64 | 121.8 | 171 | -70.8 | 169.1 | 168.1 | 171.4 | -4 | 109.9 | ||||
| 97 | V | 31.1 | Very low | 30.5 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -129.9 | 104.8 | 156.1 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | P95 | P95-V97 PolarHBondContact O-N 3Š| ||
| 98 | K | 27.4 | Very low | 30.6 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | trans | -74 | 151 | 158.3 | -73.3 | 178.5 | 172.5 | -177.3 | 0 | 107 | ||||
| 99 | D | 28.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 78.8 | 63.3 | 167.3 | -47.8 | -35.8 | 0 | 0 | 0 | 117.4 | ||
| 100 | E | 30.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | trans | -157.9 | 7.3 | 154.7 | -116.1 | 173.9 | -161.9 | 0 | 0 | 114.9 | K102 | E100-K102 PolarHBondContact O-N 2.93Š| ||
| 101 | K | 29 | Very low | 31 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 3.8 | -172 | -82.8 | -173.8 | 176.1 | -179.1 | 0 | 116.8 | ||
| 102 | K | 31.5 | Very low | 31.2 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -14.5 | 177.2 | -84.1 | -173.3 | 175.3 | -177.9 | 0 | 115 | E100 | E100-K102 PolarHBondContact O-N 2.93Š|
| 103 | V | 37 | Very low | 31.3 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -25.9 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 104 | N | 30.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 54% | 0.535 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -87 | -21.4 | -178.6 | -73.6 | -24.7 | 0 | 0 | 0 | 114.5 | A106 K107 E108 | N104-A106 VanDerWaalsContact C-N 3.29Å; N104-A106 PolarHBondContact O-N 3.48Å; N104-K107 PolarHBondContact O-N 3.44Å; N104-K107 VanDerWaalsContact O-N 3.15Å; N104-E108 PolarHBondContact O-N 3.46Å |
| 105 | S | 33.2 | Very low | 31.6 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 58% | 0.58 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69 | -26.1 | 172.7 | -81.7 | 0 | 0 | 0 | 0 | 113.1 | K107 M109 | S105-K107 VanDerWaalsContact C-N 3.35Å; S105-M109 PolarHBondContact O-N 3.33Å |
| 106 | A | 33 | Very low | 31.5 | Very low | 54 Ų | 54 | 138.7 Ų | 138.7 | 45% | 0.446 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.8 | -31.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N104 N110 | N104-A106 VanDerWaalsContact C-N 3.29Å; N104-A106 PolarHBondContact O-N 3.48Å; A106-N110 VanDerWaalsContact O-CB 3.29Å; A106-N110 WeakPolarHBondContact O-CB 3.24Å; A106-N110 PolarHBondContact O-N 3.05Å; A106-N110 VanDerWaalsContact O-N 3.17Å; A106-N110 PolarHBondContact O-ND2 2.75Å |
| 107 | K | 33.7 | Very low | 31.7 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 61% | 0.609 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.9 | -29 | 177.2 | -82.1 | -177.9 | 173.7 | 177.2 | 0 | 113.6 | N104 S105 | N104-K107 PolarHBondContact O-N 3.44Å; N104-K107 VanDerWaalsContact O-N 3.15Å; S105-K107 VanDerWaalsContact C-N 3.35Å |
| 108 | E | 31.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.3 | -28.4 | 176.8 | -105.4 | 176 | 161 | 0 | 0 | 113.5 | N104 R111 | N104-E108 PolarHBondContact O-N 3.46Å; E108-R111 PolarHBondContact O-N 2.97Å |
| 109 | M | 31.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 56% | 0.562 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 170.8 | -142.4 | 167.6 | 72.8 | 0 | 0 | 111.2 | S105 R111 K112 E113 | S105-M109 PolarHBondContact O-N 3.33Å; M109-R111 PolarHBondContact O-N 3.1Å; M109-R111 VanDerWaalsContact O-N 3.11Å; M109-K112 PolarHBondContact O-N 2.85Å; M109-E113 PolarHBondContact O-N 2.8Å; M109-E113 VanDerWaalsContact O-N 3.12Å |
| 110 | N | 35.4 | Very low | 32.7 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -15.2 | 174.1 | -78.7 | -15 | 0 | 0 | 0 | 114.6 | A106 | A106-N110 VanDerWaalsContact O-CB 3.29Å; A106-N110 WeakPolarHBondContact O-CB 3.24Å; A106-N110 PolarHBondContact O-N 3.05Å; A106-N110 VanDerWaalsContact O-N 3.17Å; A106-N110 PolarHBondContact O-ND2 2.75Å |
| 111 | R | 32.6 | Very low | 33 | Very low | 207 Ų | 207 | 120 Ų | 120 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -19.4 | 174.4 | -121.2 | 177.9 | 177.1 | 166 | -0.5 | 113 | E108 M109 | E108-R111 PolarHBondContact O-N 2.97Å; M109-R111 PolarHBondContact O-N 3.1Å; M109-R111 VanDerWaalsContact O-N 3.11Å |
| 112 | K | 30.9 | Very low | 33.6 | Very low | 173 Ų | 173 | 119.9 Ų | 119.9 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -21.7 | 178.5 | -73.7 | -176.5 | 176 | 179 | 0 | 113.4 | M109 K114 | M109-K112 PolarHBondContact O-N 2.85Å; K112-K114 VanDerWaalsContact C-N 3.33Å |
| 113 | E | 33.2 | Very low | 34.6 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -81.3 | -7.4 | 169.9 | -82.1 | -179.2 | 153.6 | 0 | 0 | 114.3 | M109 N115 G116 | M109-E113 PolarHBondContact O-N 2.8Å; M109-E113 VanDerWaalsContact O-N 3.12Å; E113-N115 PolarHBondContact O-N 2.78Å; E113-G116 PolarHBondContact O-N 3.49Å |
| 114 | K | 33.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 109.5 Ų | 109.5 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -66.2 | -3.8 | 173.8 | -92.7 | -172.1 | 176.1 | -167.3 | 0 | 115.3 | K112 | K112-K114 VanDerWaalsContact C-N 3.33Š|
| 115 | N | 30.6 | Very low | 37.1 | Very low | 136 Ų | 136 | 106 Ų | 106 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -93.1 | 11.6 | -179.6 | -72.5 | 2.5 | 0 | 0 | 0 | 113.7 | E113 | E113-N115 PolarHBondContact O-N 2.78Š|
| 116 | G | 28.4 | Very low | 38.4 | Very low | 34 Ų | 34 | 105.2 Ų | 105.2 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | trans | -98.5 | 1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | E113 S762 | E113-G116 PolarHBondContact O-N 3.49Å; G116-S762 WeakPolarHBondContact O-CB 3.34Å | ||
| 117 | S | 32.8 | Very low | 40 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -98.2 | 115.8 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 112 | Y119 | S117-Y119 PolarHBondContact O-N 2.92Š|
| 118 | V | 33.4 | Very low | 41.9 | Very low | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | trans | -33.9 | 114.6 | 163.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | S762 | V118-S762 WeakPolarHBondContact CG2-OG 3.33Š| ||
| 119 | Y | 35.6 | Very low | 43.8 | Very low | 106 Ų | 106 | 93.1 Ų | 93.1 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | trans | 44.6 | 92.3 | 145.9 | -58.8 | -94.7 | 0 | 0 | 0 | 117.4 | S117 S761 | S117-Y119 PolarHBondContact O-N 2.92Å; Y119-S761 VanDerWaalsContact CE2-OG 3.29Å; Y119-S761 WeakPolarHBondContact CE2-OG 3.45Å; Y119-S761 PolarHBondContact OH-N 3.12Å; Y119-S761 VanDerWaalsContact OH-N 3.08Å | ||
| 120 | C | 37.4 | Very low | 45.9 | Very low | 53 Ų | 53 | 90.1 Ų | 90.1 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | trans | -157.8 | 46.9 | 165.5 | -119.3 | 0 | 0 | 0 | 0 | 113 | H122 C127 | C120-H122 PolarHBondContact O-N 3.12Å; C120-H122 VanDerWaalsContact O-N 3.1Å; C120-C127 HydrophobicContact CB-CB 3.67Å; C120-C127 WeakPolarHBondContact CB-SG 3.46Å; C120-C127 WeakPolarHBondContact SG-CB 3.42Å; C120-C127 CovalentContact SG-SG 1.98Å; C120-C127 PolarHBondContact SG-SG 2.7Å | ||
| 121 | D | 37.2 | Very low | 47.9 | Very low | 162 Ų | 162 | 91.6 Ų | 91.6 | 87% | 0.866 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -0.7 | 178.8 | -78.7 | -27.1 | 0 | 0 | 0 | 113.7 | ||
| 122 | H | 42.8 | Very low | 50.5 | Low | 185 Ų | 185 | 81.8 Ų | 81.8 | 86% | 0.856 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -6.3 | -172.3 | -79.2 | 14.5 | 0 | 0 | 0 | 117 | C120 | C120-H122 PolarHBondContact O-N 3.12Å; C120-H122 VanDerWaalsContact O-N 3.1Å |
| 123 | C | 51.3 | Low | 53.3 | Low | 39 Ų | 39 | 73.6 Ų | 73.6 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | trans | -167.9 | 118.5 | 159.5 | -133 | 0 | 0 | 0 | 0 | 111.1 | C125 T126 C127 | C123-C125 PolarHBondContact O-N 2.95Å; C123-T126 HydrophobicContact CB-CG2 3.98Å; C123-T126 WeakPolarHBondContact CB-OG1 3.46Å; C123-T126 PolarHBondContact O-N 3.43Å; C123-T126 VanDerWaalsContact O-N 3.17Å; C123-T126 PolarHBondContact O-OG1 2.85Å; C123-C127 PolarHBondContact O-SG 2.83Å | ||
| 124 | P | 55.8 | Low | 56.2 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.8 | -176.4 | 21.8 | -31.7 | 0 | 0 | 0 | 114.6 | V177 | P124-V177 HydrophobicContact CG-CG2 4.03Š|
| 125 | C | 65.3 | Low | 59 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.9 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 115 | C123 C182 W185 | C123-C125 PolarHBondContact O-N 2.95Å; C125-C182 WeakPolarHBondContact CA-SG 3.38Å; C125-C182 HydrophobicContact CB-CB 3.74Å; C125-C182 WeakPolarHBondContact CB-SG 3.2Å; C125-C182 WeakPolarHBondContact SG-CB 3.28Å; C125-C182 CovalentContact SG-SG 2.03Å; C125-C182 PolarHBondContact SG-SG 3.48Å; C125-W185 VanDerWaalsContact O-CZ2 3.24Å; C125-W185 WeakPolarHBondContact O-CZ2 3.38Å |
| 126 | T | 59.7 | Low | 62 | Low | 68 Ų | 68 | 53.7 Ų | 53.7 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -103.9 | 3 | -177.4 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | C123 I128 | C123-T126 HydrophobicContact CB-CG2 3.98Å; C123-T126 WeakPolarHBondContact CB-OG1 3.46Å; C123-T126 PolarHBondContact O-N 3.43Å; C123-T126 VanDerWaalsContact O-N 3.17Å; C123-T126 PolarHBondContact O-OG1 2.85Å; T126-I128 PolarHBondContact O-N 3.41Å |
| 127 | C | 67.6 | Low | 65.1 | Low | 24 Ų | 24 | 52.1 Ų | 52.1 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | trans | -108.6 | 84.9 | -161.4 | -43.2 | 0 | 0 | 0 | 0 | 110.2 | C120 C123 T129 | C120-C127 HydrophobicContact CB-CB 3.67Å; C120-C127 WeakPolarHBondContact CB-SG 3.46Å; C120-C127 WeakPolarHBondContact SG-CB 3.42Å; C120-C127 CovalentContact SG-SG 1.98Å; C120-C127 PolarHBondContact SG-SG 2.7Å; C123-C127 PolarHBondContact O-SG 2.83Å; C127-T129 PolarHBondContact O-N 3.04Å | ||
| 128 | I | 73.7 | Confident | 67.8 | Low | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | trans | -75.6 | 114.1 | 174.1 | -60.7 | 172.7 | 0 | 0 | 0 | 107.9 | T126 W185 I254 Y258 I300 | T126-I128 PolarHBondContact O-N 3.41Å; I128-W185 HydrophobicContact CD1-CB 4.16Å; I128-W185 HydrophobicContact CD1-CD2 3.93Å; I128-W185 HydrophobicContact CD1-CG 3.76Å; I128-W185 HydrophobicContact CG1-CD2 3.72Å; I128-W185 HydrophobicContact CG1-CE3 4.05Å; I128-W185 HydrophobicContact CG1-CG 4.12Å; I128-W185 HydrophobicContact CG1-CH2 4.32Å; I128-W185 HydrophobicContact CG1-CZ2 4.02Å; I128-W185 HydrophobicContact CG1-CZ3 4.33Å; I128-I254 HydrophobicContact CD1-CD1 4.35Å; I128-I254 HydrophobicContact CD1-CG1 4.28Å; I128-I254 HydrophobicContact CD1-CG2 3.63Å; I128-Y258 HydrophobicContact CB-CE1 4.47Å; I128-Y258 HydrophobicContact CB-CE2 4.37Å; I128-Y258 HydrophobicContact CD1-CD2 4.24Å; I128-Y258 HydrophobicContact CG2-CD1 3.84Å; I128-Y258 HydrophobicContact CG2-CD2 4.47Å; I128-Y258 HydrophobicContact CG2-CE1 3.7Å; I128-Y258 HydrophobicContact CG2-CE2 4.35Å; I128-Y258 HydrophobicContact CG2-CG 4.24Å; I128-I300 HydrophobicContact CD1-CD1 4.46Å; I128-I300 HydrophobicContact CG2-CD1 3.79Å; I128-I300 HydrophobicContact CG2-CG2 4.28Å | ||
| 129 | T | 71.6 | Confident | 70.6 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | trans | -103.9 | 160.9 | 171.3 | 77.4 | 0 | 0 | 0 | 0 | 110.6 | C127 D131 N132 | C127-T129 PolarHBondContact O-N 3.04Å; T129-D131 PolarHBondContact O-N 3.24Å; T129-D131 PolarHBondContact OG1-N 2.99Å; T129-N132 WeakPolarHBondContact CA-OD1 3.48Å; T129-N132 WeakPolarHBondContact CB-OD1 3.49Å; T129-N132 PolarHBondContact N-OD1 3.49Å; T129-N132 WeakPolarHBondContact O-CB 3.4Å; T129-N132 PolarHBondContact O-N 3.39Å; T129-N132 PolarHBondContact O-OD1 3.01Å; T129-N132 PolarHBondContact OG1-OD1 3.07Å | ||
| 130 | V | 74.2 | Confident | 72.9 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.7 | 174.6 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | N132 K305 | V130-N132 VanDerWaalsContact C-N 3.31Å; V130-K305 VanDerWaalsContact O-CE 3.3Å; V130-K305 WeakPolarHBondContact O-CE 3.45Å; V130-K305 PolarHBondContact O-NZ 2.78Å |
| 131 | D | 79.1 | Confident | 75.3 | Confident | 101 Ų | 101 | 46.4 Ų | 46.4 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.4 | -179.6 | -54.8 | -37.5 | 0 | 0 | 0 | 112.5 | T129 T304 K305 | T129-D131 PolarHBondContact O-N 3.24Å; T129-D131 PolarHBondContact OG1-N 2.99Å; D131-T304 CarbonylContact O-C 3.5Å; D131-T304 WeakPolarHBondContact O-CA 3.45Å; D131-K305 VanDerWaalsContact O-CG 3.28Å; D131-K305 WeakPolarHBondContact O-CG 3.29Å; D131-K305 PolarHBondContact O-N 3.21Å |
| 132 | N | 86.9 | Confident | 77.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139 | 173.1 | -70.1 | 62.6 | 0 | 0 | 0 | 111 | T129 V130 F134 W185 I300 L301 K305 | T129-N132 WeakPolarHBondContact CA-OD1 3.48Å; T129-N132 WeakPolarHBondContact CB-OD1 3.49Å; T129-N132 PolarHBondContact N-OD1 3.49Å; T129-N132 WeakPolarHBondContact O-CB 3.4Å; T129-N132 PolarHBondContact O-N 3.39Å; T129-N132 PolarHBondContact O-OD1 3.01Å; T129-N132 PolarHBondContact OG1-OD1 3.07Å; V130-N132 VanDerWaalsContact C-N 3.31Å; N132-F134 WeakPolarHBondContact O-CD1 3.33Å; N132-W185 WeakPolarHBondContact ND2-CZ3 3.3Å; N132-I300 HydrophobicContact CB-CG2 3.61Å; N132-L301 PolarHBondContact ND2-O 3.42Å; N132-L301 VanDerWaalsContact ND2-O 3.13Å; N132-K305 WeakPolarHBondContact O-CE 3.36Å |
| 133 | A | 89.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 140.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L301 I303 K305 L308 D338 F339 | A133-L301 HydrophobicContact CB-CB 4.29Å; A133-L301 HydrophobicContact CB-CD1 4.16Å; A133-L301 WeakPolarHBondContact O-CB 3.45Å; A133-L301 PolarHBondContact O-N 3.35Å; A133-I303 WeakPolarHBondContact CB-O 3.13Å; A133-I303 PolarHBondContact N-O 3.29Å; A133-K305 HydrophobicContact CB-CG 4.31Å; A133-L308 HydrophobicContact CB-CD1 3.52Å; A133-D338 WeakPolarHBondContact CA-O 3.44Å; A133-F339 HydrophobicContact CB-CD1 3.79Å; A133-F339 HydrophobicContact CB-CE1 4.43Å |
| 134 | F | 92.5 | Very high | 81.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.4 | -179.7 | 63.2 | -97.4 | 0 | 0 | 0 | 114.8 | N132 V136 L298 I299 I300 D338 W615 | N132-F134 WeakPolarHBondContact O-CD1 3.33Å; F134-V136 HydrophobicContact CD2-CG2 3.98Å; F134-V136 HydrophobicContact CE2-CG2 3.95Å; F134-L298 HydrophobicContact CD2-CD2 3.99Å; F134-L298 HydrophobicContact CE2-CD2 4.46Å; F134-I299 CarbonylContact C-O 3.58Å; F134-I299 WeakPolarHBondContact CA-O 3.47Å; F134-I299 WeakPolarHBondContact CB-O 3.47Å; F134-I300 HydrophobicContact CB-CB 4.5Å; F134-I300 HydrophobicContact CB-CG1 4.08Å; F134-D338 HydrophobicContact CD1-CB 4.37Å; F134-D338 HydrophobicContact CD2-CB 4.22Å; F134-D338 HydrophobicContact CE1-CB 3.79Å; F134-D338 WeakPolarHBondContact CE1-OD2 3.24Å; F134-D338 HydrophobicContact CE2-CB 3.62Å; F134-D338 HydrophobicContact CZ-CB 3.36Å; F134-D338 WeakPolarHBondContact CZ-OD2 3.36Å; F134-D338 PolarHBondContact N-O 3.39Å; F134-D338 PolarHBondContact O-N 2.83Å; F134-W615 HydrophobicContact CE1-CZ2 4.32Å; F134-W615 AromaticContact CE2-CD2 3.71Å; F134-W615 HydrophobicContact CE2-CD2 3.71Å; F134-W615 AromaticContact CE2-CE2 3.75Å; F134-W615 AromaticContact CE2-CE3 3.74Å; F134-W615 HydrophobicContact CE2-CE3 3.74Å; F134-W615 HydrophobicContact CE2-CG 4.38Å; F134-W615 AromaticContact CE2-CH2 3.83Å; F134-W615 HydrophobicContact CE2-CH2 3.83Å; F134-W615 AromaticContact CE2-CZ2 3.82Å; F134-W615 HydrophobicContact CE2-CZ2 3.82Å; F134-W615 AromaticContact CE2-CZ3 3.78Å; F134-W615 HydrophobicContact CE2-CZ3 3.78Å; F134-W615 AromaticContact CZ-CD2 3.79Å; F134-W615 HydrophobicContact CZ-CD2 3.79Å; F134-W615 AromaticContact CZ-CE2 3.35Å; F134-W615 HydrophobicContact CZ-CE3 4.22Å; F134-W615 HydrophobicContact CZ-CG 4.36Å; F134-W615 AromaticContact CZ-CH2 3.85Å; F134-W615 HydrophobicContact CZ-CH2 3.85Å; F134-W615 AromaticContact CZ-CZ2 3.39Å; F134-W615 HydrophobicContact CZ-CZ2 3.39Å; F134-W615 HydrophobicContact CZ-CZ3 4.23Å; F134-W615 AromaticContact CZ-NE1 3.68Å |
| 135 | I | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.5 | -179.1 | -54.7 | 169.3 | 0 | 0 | 0 | 108.6 | L137 L158 L298 I299 L321 L334 V337 F339 | I135-L137 HydrophobicContact CG2-CD2 3.95Å; I135-L137 HydrophobicContact CG2-CG 4.17Å; I135-L158 HydrophobicContact CD1-CD1 4.2Å; I135-L158 HydrophobicContact CD1-CD2 3.92Å; I135-L298 CarbonylContact O-C 3.48Å; I135-L298 VanDerWaalsContact O-CA 3.31Å; I135-L298 WeakPolarHBondContact O-CA 3.48Å; I135-I299 HydrophobicContact CB-CB 4.38Å; I135-I299 PolarHBondContact N-O 3.47Å; I135-I299 PolarHBondContact O-N 2.93Å; I135-L321 HydrophobicContact CD1-CD1 3.95Å; I135-L321 HydrophobicContact CD1-CD2 4.1Å; I135-L321 HydrophobicContact CG1-CD2 4.29Å; I135-L321 HydrophobicContact CG2-CD2 4.5Å; I135-L334 HydrophobicContact CG2-CD1 3.49Å; I135-L334 VanDerWaalsContact CG2-CD1 3.49Å; I135-V337 HydrophobicContact CG2-CG2 4.31Å; I135-F339 HydrophobicContact CD1-CE1 4.31Å; I135-F339 HydrophobicContact CD1-CZ 3.98Å; I135-F339 HydrophobicContact CG1-CE1 3.64Å; I135-F339 HydrophobicContact CG1-CZ 3.66Å |
| 136 | V | 93.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.1 | 178.9 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | F134 L298 L335 S336 W615 L619 F623 | F134-V136 HydrophobicContact CD2-CG2 3.98Å; F134-V136 HydrophobicContact CE2-CG2 3.95Å; V136-L298 HydrophobicContact CB-CD2 3.89Å; V136-L298 HydrophobicContact CG1-CD2 3.83Å; V136-L298 HydrophobicContact CG2-CD2 3.38Å; V136-L335 HydrophobicContact CB-CB 4.46Å; V136-L335 HydrophobicContact CG1-CB 4.36Å; V136-L335 HydrophobicContact CG1-CD1 4.43Å; V136-L335 PolarHBondContact O-N 3.12Å; V136-S336 VanDerWaalsContact CB-OG 3.26Å; V136-S336 WeakPolarHBondContact CB-OG 3.28Å; V136-S336 WeakPolarHBondContact CG2-OG 3.34Å; V136-S336 PolarHBondContact N-O 2.99Å; V136-S336 PolarHBondContact O-N 3.44Å; V136-W615 HydrophobicContact CG2-CE3 3.78Å; V136-W615 HydrophobicContact CG2-CZ3 4.02Å; V136-L619 HydrophobicContact CG1-CD1 4.12Å; V136-F623 HydrophobicContact CG1-CE2 4.32Å; V136-F623 HydrophobicContact CG1-CZ 4.35Å |
| 137 | L | 93.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.3 | -175.6 | -59.3 | 173.8 | 0 | 0 | 0 | 110.5 | I135 L151 L154 D296 T297 I299 N333 L334 | I135-L137 HydrophobicContact CG2-CD2 3.95Å; I135-L137 HydrophobicContact CG2-CG 4.17Å; L137-L151 HydrophobicContact CD1-CD1 3.8Å; L137-L154 HydrophobicContact CD1-CD2 3.76Å; L137-L154 HydrophobicContact CD2-CD2 4.49Å; L137-D296 CarbonylContact O-C 3.52Å; L137-D296 WeakPolarHBondContact O-CA 2.97Å; L137-T297 HydrophobicContact CB-CG2 4.16Å; L137-T297 PolarHBondContact N-O 2.95Å; L137-T297 PolarHBondContact O-N 3.5Å; L137-I299 HydrophobicContact CD1-CD1 3.6Å; L137-I299 HydrophobicContact CD1-CG1 4.01Å; L137-N333 CarbonylContact C-O 3.57Å; L137-N333 WeakPolarHBondContact CA-O 3.15Å; L137-L334 HydrophobicContact CD2-CB 4.34Å; L137-L334 HydrophobicContact CD2-CD1 3.79Å |
| 138 | R | 91.3 | Very high | 86.4 | Confident | 74 Ų | 74 | 28.2 Ų | 28.2 | 28% | 0.279 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 123.7 | 165.6 | -177.6 | 161.8 | -68.8 | 163.5 | 3.1 | 110.1 | D296 N333 L335 | R138-D296 IonicContact CZ-OD1 2.63Å; R138-D296 IonicContact NE-OD1 3.49Å; R138-D296 PolarHBondContact NE-OD1 3.39Å; R138-D296 IonicContact NH2-OD1 3.63Å; R138-D296 PolarHBondContact NH2-OD1 2.92Å; R138-D296 VanDerWaalsContact NH2-OD1 3.12Å; R138-D296 IonicContact NH2-OD2 3.12Å; R138-D296 PolarHBondContact NH2-OD2 3.44Å; R138-D296 VanDerWaalsContact NH2-OD2 3.17Å; R138-N333 HydrophobicContact CB-CB 4.29Å; R138-N333 PolarHBondContact N-O 2.91Å; R138-N333 PolarHBondContact O-N 3.24Å; R138-L335 HydrophobicContact CB-CD1 3.81Å; R138-L335 HydrophobicContact CB-CD2 4.09Å; R138-L335 HydrophobicContact CB-CG 3.84Å |
| 139 | L | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.4 | 174.1 | -49.6 | -176.7 | 0 | 0 | 0 | 109.2 | V141 P142 T147 L187 S294 M295 T297 L332 | L139-V141 VanDerWaalsContact C-N 3.32Å; L139-P142 HydrophobicContact CB-CB 4.21Å; L139-P142 HydrophobicContact CD1-CB 4.02Å; L139-T147 HydrophobicContact CB-CG2 4.14Å; L139-T147 HydrophobicContact CD1-CG2 4.15Å; L139-T147 HydrophobicContact CD2-CG2 3.78Å; L139-T147 HydrophobicContact CG-CG2 4.25Å; L139-L187 HydrophobicContact CD1-CD2 3.94Å; L139-S294 CarbonylContact O-C 3.5Å; L139-S294 WeakPolarHBondContact O-CA 3.18Å; L139-S294 WeakPolarHBondContact O-CB 3.28Å; L139-M295 WeakPolarHBondContact CB-O 3.32Å; L139-M295 PolarHBondContact N-O 3.02Å; L139-M295 PolarHBondContact O-N 3.36Å; L139-T297 HydrophobicContact CD1-CG2 3.79Å; L139-T297 HydrophobicContact CD2-CG2 3.79Å; L139-T297 HydrophobicContact CG-CG2 3.72Å; L139-L332 HydrophobicContact CD2-CD2 3.2Å |
| 140 | S | 85.6 | Confident | 88.2 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -75.3 | -21.6 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | D293 P330 T331 | S140-D293 CarbonylContact C-O 3.52Å; S140-P330 WeakPolarHBondContact CB-O 3.23Å; S140-P330 PolarHBondContact OG-O 3.13Å; S140-T331 PolarHBondContact N-O 2.89Å |
| 141 | V | 86.2 | Confident | 89 | Confident | 79 Ų | 79 | 32.2 Ų | 32.2 | 48% | 0.479 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -144 | 89.4 | 169.1 | -170 | 0 | 0 | 0 | 0 | 107.3 | L139 F143 A144 T147 | L139-V141 VanDerWaalsContact C-N 3.32Å; V141-F143 VanDerWaalsContact C-N 3.34Å; V141-F143 PolarHBondContact O-N 2.99Å; V141-A144 HydrophobicContact CB-CB 3.99Å; V141-A144 HydrophobicContact CG1-CB 3.63Å; V141-A144 PolarHBondContact O-N 2.83Å; V141-T147 WeakPolarHBondContact O-CB 3.37Å; V141-T147 PolarHBondContact O-OG1 3.1Å |
| 142 | P | 81 | Confident | 89.6 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -43 | -165.2 | 15.7 | -28.6 | 0 | 0 | 0 | 113.9 | L139 F148 V292 M295 | L139-P142 HydrophobicContact CB-CB 4.21Å; L139-P142 HydrophobicContact CD1-CB 4.02Å; P142-F148 WeakPolarHBondContact O-CE2 3.39Å; P142-V292 WeakPolarHBondContact CD-O 3.34Å; P142-V292 HydrophobicContact CG-CB 4.26Å; P142-V292 HydrophobicContact CG-CG1 4.09Å; P142-M295 HydrophobicContact CB-CB 3.77Å; P142-M295 HydrophobicContact CB-SD 3.98Å; P142-M295 HydrophobicContact CG-CB 3.83Å |
| 143 | F | 85.2 | Confident | 89.8 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.096 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 31.1 | -173.3 | -54 | -69.7 | 0 | 0 | 0 | 113.6 | V141 R212 I215 Y216 V265 M295 | V141-F143 VanDerWaalsContact C-N 3.34Å; V141-F143 PolarHBondContact O-N 2.99Å; F143-R212 HydrophobicContact CB-CB 4.05Å; F143-R212 HydrophobicContact CB-CG 3.66Å; F143-R212 HydrophobicContact CD1-CB 4.19Å; F143-R212 HydrophobicContact CD1-CG 4.14Å; F143-R212 HydrophobicContact CD2-CG 4.2Å; F143-R212 HydrophobicContact CG-CB 4.21Å; F143-R212 HydrophobicContact CG-CG 3.73Å; F143-I215 HydrophobicContact CE1-CD1 3.72Å; F143-I215 HydrophobicContact CE1-CG2 4.47Å; F143-I215 HydrophobicContact CZ-CD1 4.47Å; F143-I215 HydrophobicContact CZ-CG2 4.25Å; F143-Y216 HydrophobicContact CD2-CE2 4.18Å; F143-Y216 HydrophobicContact CE2-CE2 4.21Å; F143-V265 HydrophobicContact CZ-CG2 4.45Å; F143-M295 HydrophobicContact CE2-SD 4.48Å; F143-M295 HydrophobicContact CZ-SD 4.13Å |
| 144 | A | 87.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 26% | 0.256 | 17% | 0.17 | S | C | . | . | trans | -94.4 | 140.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V141 G146 T147 F148 | V141-A144 HydrophobicContact CB-CB 3.99Å; V141-A144 HydrophobicContact CG1-CB 3.63Å; V141-A144 PolarHBondContact O-N 2.83Å; A144-G146 PolarHBondContact O-N 2.78Å; A144-T147 VanDerWaalsContact O-CB 3.31Å; A144-T147 WeakPolarHBondContact O-CB 3.41Å; A144-T147 PolarHBondContact O-N 3.14Å; A144-F148 PolarHBondContact O-N 3.5Å | ||
| 145 | Y | 89.2 | Confident | 89.7 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.4 | -38.3 | 175.3 | 170.3 | -110.4 | 0 | 0 | 0 | 112.9 | T147 F148 K149 L203 R205 V208 | Y145-T147 PolarHBondContact O-N 3.45Å; Y145-F148 PolarHBondContact O-N 3.33Å; Y145-K149 HydrophobicContact CE1-CD 4.42Å; Y145-K149 WeakPolarHBondContact O-CB 3.34Å; Y145-K149 PolarHBondContact O-N 3.1Å; Y145-L203 VanDerWaalsContact CE2-O 3.27Å; Y145-L203 WeakPolarHBondContact CE2-O 3.44Å; Y145-R205 HydrophobicContact CD1-CG 3.68Å; Y145-R205 HydrophobicContact CD2-CG 4.25Å; Y145-R205 HydrophobicContact CE1-CG 4.31Å; Y145-R205 HydrophobicContact CG-CG 3.63Å; Y145-V208 HydrophobicContact CD2-CG2 4.26Å |
| 146 | G | 89 | Confident | 89.5 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A144 K150 | A144-G146 PolarHBondContact O-N 2.78Å; G146-K150 WeakPolarHBondContact O-CG 3.45Å; G146-K150 PolarHBondContact O-N 3.36Å |
| 147 | T | 90.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.1 | -49 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | L139 V141 A144 Y145 K149 K150 L151 L332 | L139-T147 HydrophobicContact CB-CG2 4.14Å; L139-T147 HydrophobicContact CD1-CG2 4.15Å; L139-T147 HydrophobicContact CD2-CG2 3.78Å; L139-T147 HydrophobicContact CG-CG2 4.25Å; V141-T147 WeakPolarHBondContact O-CB 3.37Å; V141-T147 PolarHBondContact O-OG1 3.1Å; A144-T147 VanDerWaalsContact O-CB 3.31Å; A144-T147 WeakPolarHBondContact O-CB 3.41Å; A144-T147 PolarHBondContact O-N 3.14Å; Y145-T147 PolarHBondContact O-N 3.45Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 3.47Å; T147-K150 PolarHBondContact O-N 3.44Å; T147-L151 WeakPolarHBondContact O-CB 3.4Å; T147-L151 PolarHBondContact O-N 3.43Å; T147-L332 HydrophobicContact CG2-CD2 4.17Å |
| 148 | F | 90.9 | Very high | 89 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.1 | -85.5 | -106.4 | 0 | 0 | 0 | 112.1 | P142 A144 Y145 K150 L151 C152 L187 A188 A191 L203 V208 | P142-F148 WeakPolarHBondContact O-CE2 3.39Å; A144-F148 PolarHBondContact O-N 3.5Å; Y145-F148 PolarHBondContact O-N 3.33Å; F148-K150 VanDerWaalsContact C-N 3.34Å; F148-K150 PolarHBondContact O-N 3.24Å; F148-L151 PolarHBondContact O-N 3.18Å; F148-C152 WeakPolarHBondContact O-CB 3.33Å; F148-C152 PolarHBondContact O-N 3.44Å; F148-L187 HydrophobicContact CE1-CG 4.06Å; F148-L187 WeakPolarHBondContact CE1-O 3.4Å; F148-L187 HydrophobicContact CE2-CD2 4.02Å; F148-L187 HydrophobicContact CE2-CG 4.39Å; F148-L187 HydrophobicContact CZ-CD1 4.43Å; F148-L187 HydrophobicContact CZ-CD2 3.78Å; F148-L187 HydrophobicContact CZ-CG 3.66Å; F148-A188 HydrophobicContact CD1-CB 3.96Å; F148-A191 HydrophobicContact CD1-CB 4.35Å; F148-A191 HydrophobicContact CE1-CB 3.64Å; F148-L203 HydrophobicContact CD1-CD1 4.01Å; F148-V208 HydrophobicContact CB-CG2 4.08Å; F148-V208 HydrophobicContact CD1-CG2 4.24Å; F148-V208 HydrophobicContact CD2-CG1 3.83Å; F148-V208 HydrophobicContact CD2-CG2 4.24Å; F148-V208 HydrophobicContact CE2-CG1 3.97Å; F148-V208 HydrophobicContact CG-CG1 4.36Å; F148-V208 HydrophobicContact CG-CG2 3.92Å |
| 149 | K | 91.5 | Very high | 88.7 | Confident | 129 Ų | 129 | 41.1 Ų | 41.1 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -60.3 | -42 | 176.8 | -175 | 173.8 | -177.2 | 173.8 | 0 | 112.2 | Y145 T147 K153 | Y145-K149 HydrophobicContact CE1-CD 4.42Å; Y145-K149 WeakPolarHBondContact O-CB 3.34Å; Y145-K149 PolarHBondContact O-N 3.1Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 3.47Å; K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 2.9Å |
| 150 | K | 91.2 | Very high | 88.5 | Confident | 69 Ų | 69 | 44.7 Ų | 44.7 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.3 | -36.8 | 177.4 | -74 | 179.9 | 179.1 | -168.8 | 0 | 112.2 | G146 T147 F148 K153 L154 T331 L332 | G146-K150 WeakPolarHBondContact O-CG 3.45Å; G146-K150 PolarHBondContact O-N 3.36Å; T147-K150 PolarHBondContact O-N 3.44Å; F148-K150 VanDerWaalsContact C-N 3.34Å; F148-K150 PolarHBondContact O-N 3.24Å; K150-K153 PolarHBondContact O-N 2.81Å; K150-L154 PolarHBondContact O-N 2.95Å; K150-T331 HydrophobicContact CD-CG2 4.32Å; K150-T331 WeakPolarHBondContact CD-OG1 3.44Å; K150-T331 WeakPolarHBondContact CE-OG1 3.31Å; K150-T331 PolarHBondContact NZ-OG1 2.89Å; K150-L332 HydrophobicContact CB-CD1 3.79Å; K150-L332 HydrophobicContact CB-CG 4.31Å |
| 151 | L | 90.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.5 | -168.6 | 70.1 | 0 | 0 | 0 | 110.6 | L137 T147 F148 K153 L154 Q155 L187 A188 I299 L332 | L137-L151 HydrophobicContact CD1-CD1 3.8Å; T147-L151 WeakPolarHBondContact O-CB 3.4Å; T147-L151 PolarHBondContact O-N 3.43Å; F148-L151 PolarHBondContact O-N 3.18Å; L151-K153 PolarHBondContact O-N 3.37Å; L151-L154 WeakPolarHBondContact O-CB 3.05Å; L151-L154 PolarHBondContact O-N 3.49Å; L151-Q155 PolarHBondContact O-N 2.92Å; L151-L187 HydrophobicContact CD2-CB 3.74Å; L151-A188 HydrophobicContact CB-CB 4.25Å; L151-A188 HydrophobicContact CD2-CB 3.87Å; L151-A188 HydrophobicContact CG-CB 4.25Å; L151-I299 HydrophobicContact CD1-CD1 3.79Å; L151-I299 HydrophobicContact CD1-CG1 4.13Å; L151-L332 HydrophobicContact CD1-CD2 4.41Å |
| 152 | C | 92 | Very high | 88 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | F148 L154 Q155 Q156 A188 C200 S201 | F148-C152 WeakPolarHBondContact O-CB 3.33Å; F148-C152 PolarHBondContact O-N 3.44Å; C152-L154 VanDerWaalsContact C-N 3.31Å; C152-L154 PolarHBondContact O-N 3.42Å; C152-Q155 WeakPolarHBondContact O-CB 3.49Å; C152-Q155 PolarHBondContact O-N 3.3Å; C152-Q156 WeakPolarHBondContact O-CG 3.23Å; C152-Q156 PolarHBondContact O-N 3.4Å; C152-A188 HydrophobicContact CB-CB 4.45Å; C152-C200 WeakPolarHBondContact CA-SG 3.48Å; C152-C200 HydrophobicContact CB-CB 3.63Å; C152-C200 WeakPolarHBondContact CB-SG 3.24Å; C152-C200 WeakPolarHBondContact SG-CB 3.32Å; C152-C200 CovalentContact SG-SG 2.03Å; C152-C200 PolarHBondContact SG-SG 3.39Å; C152-S201 PolarHBondContact SG-N 3.18Å |
| 153 | K | 91.2 | Very high | 88 | Confident | 116 Ų | 116 | 44 Ų | 44 | 50% | 0.504 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 175.3 | -171.8 | 179.4 | -178.3 | -180 | 0 | 112.3 | K149 K150 L151 R157 M328 | K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 2.9Å; K150-K153 PolarHBondContact O-N 2.81Å; L151-K153 PolarHBondContact O-N 3.37Å; K153-R157 VanDerWaalsContact O-CG 3.27Å; K153-R157 WeakPolarHBondContact O-CG 3.14Å; K153-R157 PolarHBondContact O-N 3Å; K153-R157 VanDerWaalsContact O-N 3.1Å; K153-M328 HydrophobicContact CG-CE 4.47Å |
| 154 | L | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 174.7 | -176.9 | 61.1 | 0 | 0 | 0 | 111 | L137 K150 L151 C152 Q156 R157 L158 I299 M328 | L137-L154 HydrophobicContact CD1-CD2 3.76Å; L137-L154 HydrophobicContact CD2-CD2 4.49Å; K150-L154 PolarHBondContact O-N 2.95Å; L151-L154 WeakPolarHBondContact O-CB 3.05Å; L151-L154 PolarHBondContact O-N 3.49Å; C152-L154 VanDerWaalsContact C-N 3.31Å; C152-L154 PolarHBondContact O-N 3.42Å; L154-Q156 PolarHBondContact O-N 2.85Å; L154-R157 PolarHBondContact O-N 3.2Å; L154-R157 VanDerWaalsContact O-N 3.14Å; L154-L158 PolarHBondContact O-N 3.44Å; L154-I299 HydrophobicContact CD2-CD1 3.9Å; L154-I299 HydrophobicContact CG-CD1 4.38Å; L154-M328 HydrophobicContact CB-CE 3.99Å; L154-M328 HydrophobicContact CB-SD 3.85Å; L154-M328 HydrophobicContact CD1-CE 3.97Å; L154-M328 HydrophobicContact CD1-SD 4.31Å |
| 155 | Q | 89.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.5 | -50.9 | 173.6 | 171.6 | 165.6 | -10.5 | 0 | 0 | 111.6 | L151 C152 R157 L158 Y159 S184 S186 | L151-Q155 PolarHBondContact O-N 2.92Å; C152-Q155 WeakPolarHBondContact O-CB 3.49Å; C152-Q155 PolarHBondContact O-N 3.3Å; Q155-R157 VanDerWaalsContact C-N 3.26Å; Q155-R157 PolarHBondContact O-N 3.38Å; Q155-L158 WeakPolarHBondContact O-CB 3.15Å; Q155-L158 PolarHBondContact O-N 2.88Å; Q155-Y159 HydrophobicContact CG-CE2 4.34Å; Q155-Y159 VanDerWaalsContact O-CD2 3.27Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.42Å; Q155-S184 WeakPolarHBondContact CG-OG 3.33Å; Q155-S184 PolarHBondContact NE2-O 3.32Å; Q155-S186 PolarHBondContact OE1-OG 3.38Å |
| 156 | Q | 89.1 | Confident | 87.4 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -33.7 | 177.2 | -70.4 | 178 | -16.6 | 0 | 0 | 112.8 | C152 L154 L158 Y159 T160 D199 | C152-Q156 WeakPolarHBondContact O-CG 3.23Å; C152-Q156 PolarHBondContact O-N 3.4Å; L154-Q156 PolarHBondContact O-N 2.85Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-Y159 PolarHBondContact O-N 3Å; Q156-T160 WeakPolarHBondContact O-CB 3.37Å; Q156-T160 PolarHBondContact O-N 2.88Å; Q156-T160 VanDerWaalsContact O-N 3.13Å; Q156-T160 PolarHBondContact O-OG1 2.96Å; Q156-D199 PolarHBondContact NE2-OD2 3.43Å; Q156-D199 VanDerWaalsContact NE2-OD2 3.15Å |
| 157 | R | 88.4 | Confident | 87 | Confident | 108 Ų | 108 | 46.5 Ų | 46.5 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.8 | -21.2 | 175.5 | -73.5 | -72.8 | -179.8 | 169.9 | -1.6 | 113.8 | K153 L154 Q155 Y159 | K153-R157 VanDerWaalsContact O-CG 3.27Å; K153-R157 WeakPolarHBondContact O-CG 3.14Å; K153-R157 PolarHBondContact O-N 3Å; K153-R157 VanDerWaalsContact O-N 3.1Å; L154-R157 PolarHBondContact O-N 3.2Å; L154-R157 VanDerWaalsContact O-N 3.14Å; Q155-R157 VanDerWaalsContact C-N 3.26Å; Q155-R157 PolarHBondContact O-N 3.38Å; R157-Y159 VanDerWaalsContact C-N 3.33Å |
| 158 | L | 87.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 170.1 | -71.5 | 159.7 | 0 | 0 | 0 | 109.8 | I135 L154 Q155 Q156 L163 A164 L167 I169 I299 L301 | I135-L158 HydrophobicContact CD1-CD1 4.2Å; I135-L158 HydrophobicContact CD1-CD2 3.92Å; L154-L158 PolarHBondContact O-N 3.44Å; Q155-L158 WeakPolarHBondContact O-CB 3.15Å; Q155-L158 PolarHBondContact O-N 2.88Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; L158-L163 HydrophobicContact CD2-CD2 3.41Å; L158-L163 VanDerWaalsContact CD2-CD2 3.41Å; L158-L163 HydrophobicContact CD2-CG 4.09Å; L158-L163 HydrophobicContact CG-CD2 4.09Å; L158-A164 VanDerWaalsContact O-CA 3.27Å; L158-A164 WeakPolarHBondContact O-CA 3.45Å; L158-A164 WeakPolarHBondContact O-CB 3.41Å; L158-A164 PolarHBondContact O-N 2.89Å; L158-L167 HydrophobicContact CD2-CD1 3.81Å; L158-I169 WeakPolarHBondContact O-CD1 3.48Å; L158-I299 HydrophobicContact CD1-CG2 4.1Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.37Å |
| 159 | Y | 85.7 | Confident | 86 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.6 | -6.8 | 179.6 | -65.8 | -81.5 | 0 | 0 | 0 | 115.2 | Q155 Q156 R157 I169 C181 C182 S184 P302 | Q155-Y159 HydrophobicContact CG-CE2 4.34Å; Q155-Y159 VanDerWaalsContact O-CD2 3.27Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.42Å; Q156-Y159 PolarHBondContact O-N 3Å; R157-Y159 VanDerWaalsContact C-N 3.33Å; Y159-I169 HydrophobicContact CD1-CD1 4.09Å; Y159-I169 HydrophobicContact CD1-CG2 3.84Å; Y159-I169 HydrophobicContact CE1-CD1 4.47Å; Y159-I169 HydrophobicContact CE1-CG2 4.03Å; Y159-C181 VanDerWaalsContact CE1-SG 3.54Å; Y159-C182 PolarHBondContact OH-O 2.95Å; Y159-S184 WeakPolarHBondContact OH-CB 3.49Å; Y159-S184 PolarHBondContact OH-N 3.5Å; Y159-P302 WeakPolarHBondContact OH-CD 3.39Å; Y159-P302 WeakPolarHBondContact OH-CG 3.5Å |
| 160 | T | 84.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 50 Ų | 50 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -133.7 | 145.4 | -175.9 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | Q156 | Q156-T160 WeakPolarHBondContact O-CB 3.37Å; Q156-T160 PolarHBondContact O-N 2.88Å; Q156-T160 VanDerWaalsContact O-N 3.13Å; Q156-T160 PolarHBondContact O-OG1 2.96Å |
| 161 | G | 80.4 | Confident | 84.9 | Confident | 44 Ų | 44 | 53 Ų | 53 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -142.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 162 | T | 81.3 | Confident | 84.4 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.2 | -35.5 | -176.3 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | R165 H166 | T162-R165 PolarHBondContact O-N 3.49Å; T162-H166 PolarHBondContact O-N 2.87Å; T162-H166 VanDerWaalsContact O-N 3.09Å; T162-H166 PolarHBondContact O-ND1 3.44Å; T162-H166 VanDerWaalsContact O-ND1 3.14Å |
| 163 | L | 82.1 | Confident | 84 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | -176.1 | -161.6 | 62.2 | 0 | 0 | 0 | 111.6 | L158 R165 H166 L167 L317 L321 | L158-L163 HydrophobicContact CD2-CD2 3.41Å; L158-L163 VanDerWaalsContact CD2-CD2 3.41Å; L158-L163 HydrophobicContact CD2-CG 4.09Å; L158-L163 HydrophobicContact CG-CD2 4.09Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.29Å; L163-H166 PolarHBondContact O-N 2.98Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 3.29Å; L163-L317 HydrophobicContact CD1-CD1 3.8Å; L163-L321 HydrophobicContact CD1-CB 4.1Å; L163-L321 HydrophobicContact CD2-CD1 4.04Å |
| 164 | A | 83.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L158 M168 I169 | L158-A164 VanDerWaalsContact O-CA 3.27Å; L158-A164 WeakPolarHBondContact O-CA 3.45Å; L158-A164 WeakPolarHBondContact O-CB 3.41Å; L158-A164 PolarHBondContact O-N 2.89Å; A164-M168 PolarHBondContact O-N 2.93Å; A164-I169 HydrophobicContact CB-CD1 4.19Å; A164-I169 PolarHBondContact O-N 2.85Å |
| 165 | R | 83.9 | Confident | 82.9 | Confident | 170 Ų | 170 | 59.7 Ų | 59.7 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.4 | -47.5 | 176 | -77.4 | -173.3 | -77.4 | 136.1 | -11.8 | 111.9 | T162 L163 L167 M168 | T162-R165 PolarHBondContact O-N 3.49Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.29Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 2.79Å; R165-M168 WeakPolarHBondContact O-CG 3.39Å; R165-M168 PolarHBondContact O-N 3.22Å; R165-M168 VanDerWaalsContact O-N 3.07Å |
| 166 | H | 81.9 | Confident | 82.1 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -31.1 | 177.9 | -63.7 | 133.7 | 0 | 0 | 0 | 112.8 | T162 L163 M168 N311 S316 L317 S320 | T162-H166 PolarHBondContact O-N 2.87Å; T162-H166 VanDerWaalsContact O-N 3.09Å; T162-H166 PolarHBondContact O-ND1 3.44Å; T162-H166 VanDerWaalsContact O-ND1 3.14Å; L163-H166 PolarHBondContact O-N 2.98Å; H166-M168 VanDerWaalsContact C-N 3.27Å; H166-N311 PolarHBondContact O-ND2 3.47Å; H166-S316 PolarHBondContact CD2-OG 3.33Å; H166-S316 PolarHBondContact NE2-OG 3.4Å; H166-L317 HydrophobicContact CB-CB 4Å; H166-L317 HydrophobicContact CB-CD1 3.75Å; H166-L317 HydrophobicContact CB-CG 4.45Å; H166-S320 PolarHBondContact CE1-OG 2.68Å; H166-S320 PolarHBondContact ND1-OG 2.93Å |
| 167 | L | 80.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.1 | 173.7 | -73.6 | 170.4 | 0 | 0 | 0 | 113.2 | L158 L163 R165 I169 L301 I303 L308 L317 | L158-L167 HydrophobicContact CD2-CD1 3.81Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 3.29Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 2.79Å; L167-I169 HydrophobicContact CB-CD1 4.07Å; L167-I169 HydrophobicContact CB-CG1 3.54Å; L167-I169 HydrophobicContact CD1-CD1 4.01Å; L167-I169 HydrophobicContact CD1-CG1 4.39Å; L167-I169 PolarHBondContact O-N 2.67Å; L167-I169 VanDerWaalsContact O-N 3.16Å; L167-L301 HydrophobicContact CD2-CD1 4.34Å; L167-I303 HydrophobicContact CB-CD1 4.49Å; L167-L308 HydrophobicContact CD2-CD2 3.74Å; L167-L317 HydrophobicContact CD2-CD1 3.67Å; L167-L317 HydrophobicContact CD2-CD2 3.94Å; L167-L317 HydrophobicContact CD2-CG 4.44Å; L167-L317 HydrophobicContact CG-CD1 3.66Å |
| 168 | M | 79.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 43.6 | -175.1 | -63.5 | -175.4 | -178.3 | 0 | 0 | 112.4 | A164 R165 H166 D170 E171 F172 | A164-M168 PolarHBondContact O-N 2.93Å; R165-M168 WeakPolarHBondContact O-CG 3.39Å; R165-M168 PolarHBondContact O-N 3.22Å; R165-M168 VanDerWaalsContact O-N 3.07Å; H166-M168 VanDerWaalsContact C-N 3.27Å; M168-D170 PolarHBondContact O-N 2.91Å; M168-E171 PolarHBondContact O-N 3.47Å; M168-F172 HydrophobicContact CB-CD2 3.59Å; M168-F172 HydrophobicContact CB-CE2 3.82Å; M168-F172 HydrophobicContact CG-CE2 4.38Å; M168-F172 PolarHBondContact O-N 3.43Å; M168-F172 HydrophobicContact SD-CD2 4.37Å; M168-F172 HydrophobicContact SD-CE2 3.63Å |
| 169 | I | 80.7 | Confident | 79.8 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.2 | -37.2 | -172.1 | -62.5 | -172.8 | 0 | 0 | 0 | 111.4 | L158 Y159 A164 L167 E171 C173 I303 | L158-I169 WeakPolarHBondContact O-CD1 3.48Å; Y159-I169 HydrophobicContact CD1-CD1 4.09Å; Y159-I169 HydrophobicContact CD1-CG2 3.84Å; Y159-I169 HydrophobicContact CE1-CD1 4.47Å; Y159-I169 HydrophobicContact CE1-CG2 4.03Å; A164-I169 HydrophobicContact CB-CD1 4.19Å; A164-I169 PolarHBondContact O-N 2.85Å; L167-I169 HydrophobicContact CB-CD1 4.07Å; L167-I169 HydrophobicContact CB-CG1 3.54Å; L167-I169 HydrophobicContact CD1-CD1 4.01Å; L167-I169 HydrophobicContact CD1-CG1 4.39Å; L167-I169 PolarHBondContact O-N 2.67Å; L167-I169 VanDerWaalsContact O-N 3.16Å; I169-E171 PolarHBondContact O-N 3.48Å; I169-C173 HydrophobicContact CG2-CB 3.95Å; I169-C173 WeakPolarHBondContact O-CB 3.32Å; I169-C173 PolarHBondContact O-N 3.06Å; I169-C173 VanDerWaalsContact O-N 3.09Å; I169-I303 HydrophobicContact CG1-CD1 4.08Å |
| 170 | D | 78.1 | Confident | 79.5 | Confident | 134 Ų | 134 | 69 Ų | 69 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.4 | -30 | -179.8 | -64.5 | -37.6 | 0 | 0 | 0 | 112.6 | M168 R175 | M168-D170 PolarHBondContact O-N 2.91Å; D170-R175 PolarHBondContact O-NH2 2.75Å |
| 171 | E | 80.6 | Confident | 79.4 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -92 | -40.5 | -178 | -164.9 | 173.7 | 174.8 | 0 | 0 | 112.3 | M168 I169 | M168-E171 PolarHBondContact O-N 3.47Å; I169-E171 PolarHBondContact O-N 3.48Å |
| 172 | F | 80.9 | Confident | 79.6 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -113.1 | -3.1 | -165.4 | -60.2 | -49.7 | 0 | 0 | 0 | 116 | M168 I303 V307 | M168-F172 HydrophobicContact CB-CD2 3.59Å; M168-F172 HydrophobicContact CB-CE2 3.82Å; M168-F172 HydrophobicContact CG-CE2 4.38Å; M168-F172 PolarHBondContact O-N 3.43Å; M168-F172 HydrophobicContact SD-CD2 4.37Å; M168-F172 HydrophobicContact SD-CE2 3.63Å; F172-I303 HydrophobicContact CB-CG2 4.33Å; F172-V307 HydrophobicContact CB-CG1 3.69Å; F172-V307 HydrophobicContact CD1-CG1 3.36Å; F172-V307 HydrophobicContact CD2-CG1 3.43Å; F172-V307 VanDerWaalsContact CD2-CG1 3.43Å; F172-V307 HydrophobicContact CE1-CG1 3.74Å; F172-V307 HydrophobicContact CE2-CG1 3.8Å; F172-V307 HydrophobicContact CG-CG1 3.2Å; F172-V307 HydrophobicContact CZ-CG1 3.95Å |
| 173 | C | 83.8 | Confident | 79.7 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -65.3 | 137.3 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | I169 R175 C181 | I169-C173 HydrophobicContact CG2-CB 3.95Å; I169-C173 WeakPolarHBondContact O-CB 3.32Å; I169-C173 PolarHBondContact O-N 3.06Å; I169-C173 VanDerWaalsContact O-N 3.09Å; C173-R175 PolarHBondContact O-N 3.3Å; C173-C181 HydrophobicContact CB-CB 3.81Å; C173-C181 WeakPolarHBondContact CB-SG 3.36Å; C173-C181 VanDerWaalsContact SG-CA 3.51Å; C173-C181 WeakPolarHBondContact SG-CB 3.47Å; C173-C181 CovalentContact SG-SG 2.01Å; C173-C181 PolarHBondContact SG-SG 3.02Å |
| 174 | E | 79.8 | Confident | 80 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | trans | -59.7 | 128.7 | 165.9 | -69.4 | 170.4 | 178.4 | 0 | 0 | 109.3 | C182 P302 | E174-C182 PolarHBondContact O-N 2.79Å; E174-C182 PolarHBondContact O-SG 3.06Å; E174-P302 HydrophobicContact CB-CB 4.26Å; E174-P302 PolarHBondContact N-O 3.02Å | ||
| 175 | R | 79 | Confident | 80.2 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 46% | 0.464 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -107 | 140.3 | -176.6 | -69.7 | 177 | -177.2 | -104.4 | 3.5 | 110.2 | D170 C173 G179 H180 | D170-R175 PolarHBondContact O-NH2 2.75Å; C173-R175 PolarHBondContact O-N 3.3Å; R175-G179 WeakPolarHBondContact CD-O 3.34Å; R175-G179 PolarHBondContact NH1-O 3.21Å; R175-H180 CarbonylContact C-O 3.54Å; R175-H180 VanDerWaalsContact CA-O 3.31Å; R175-H180 WeakPolarHBondContact CA-O 3.33Å |
| 176 | H | 73.1 | Confident | 80.6 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | trans | -61.1 | 162.4 | 165.3 | -165.4 | -102 | 0 | 0 | 0 | 110.3 | S178 G179 H180 | H176-S178 PolarHBondContact ND1-N 3.34Å; H176-S178 PolarHBondContact ND1-OG 2.91Å; H176-S178 PolarHBondContact O-N 2.98Å; H176-G179 PolarHBondContact O-N 3.32Å; H176-H180 PolarHBondContact N-O 3.35Å | ||
| 177 | V | 72.1 | Confident | 81 | Confident | 126 Ų | 126 | 57.4 Ų | 57.4 | 76% | 0.764 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.8 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | P124 G179 | P124-V177 HydrophobicContact CG-CG2 4.03Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.42Å |
| 178 | S | 69.4 | Low | 81.5 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 54% | 0.538 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.6 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | H176 H180 | H176-S178 PolarHBondContact ND1-N 3.34Å; H176-S178 PolarHBondContact ND1-OG 2.91Å; H176-S178 PolarHBondContact O-N 2.98Å; S178-H180 VanDerWaalsContact C-N 3.32Å; S178-H180 PolarHBondContact O-N 3.37Å |
| 179 | G | 74.3 | Confident | 82 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 84.3 | -5.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R175 H176 V177 | R175-G179 WeakPolarHBondContact CD-O 3.34Å; R175-G179 PolarHBondContact NH1-O 3.21Å; H176-G179 PolarHBondContact O-N 3.32Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.42Å |
| 180 | H | 79.8 | Confident | 82.4 | Confident | 137 Ų | 137 | 54 Ų | 54 | 63% | 0.634 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 141.2 | 174.5 | -64.6 | -67.9 | 0 | 0 | 0 | 111.6 | R175 H176 S178 | R175-H180 CarbonylContact C-O 3.54Å; R175-H180 VanDerWaalsContact CA-O 3.31Å; R175-H180 WeakPolarHBondContact CA-O 3.33Å; H176-H180 PolarHBondContact N-O 3.35Å; S178-H180 VanDerWaalsContact C-N 3.32Å; S178-H180 PolarHBondContact O-N 3.37Å |
| 181 | C | 82.5 | Confident | 83 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 134.2 | 175.3 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | Y159 C173 | Y159-C181 VanDerWaalsContact CE1-SG 3.54Å; C173-C181 HydrophobicContact CB-CB 3.81Å; C173-C181 WeakPolarHBondContact CB-SG 3.36Å; C173-C181 VanDerWaalsContact SG-CA 3.51Å; C173-C181 WeakPolarHBondContact SG-CB 3.47Å; C173-C181 CovalentContact SG-SG 2.01Å; C173-C181 PolarHBondContact SG-SG 3.02Å |
| 182 | C | 84.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 150.3 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | C125 Y159 E174 P302 | C125-C182 WeakPolarHBondContact CA-SG 3.38Å; C125-C182 HydrophobicContact CB-CB 3.74Å; C125-C182 WeakPolarHBondContact CB-SG 3.2Å; C125-C182 WeakPolarHBondContact SG-CB 3.28Å; C125-C182 CovalentContact SG-SG 2.03Å; C125-C182 PolarHBondContact SG-SG 3.48Å; Y159-C182 PolarHBondContact OH-O 2.95Å; E174-C182 PolarHBondContact O-N 2.79Å; E174-C182 PolarHBondContact O-SG 3.06Å; C182-P302 HydrophobicContact CB-CB 3.82Å; C182-P302 HydrophobicContact CB-CG 4.31Å; C182-P302 WeakPolarHBondContact O-CG 3.37Å |
| 183 | H | 83.6 | Confident | 83.7 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 147.5 | 174.2 | -67.2 | -75.9 | 0 | 0 | 0 | 110.9 | ||
| 184 | S | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 143.9 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | Q155 Y159 S186 S189 I300 | Q155-S184 WeakPolarHBondContact CG-OG 3.33Å; Q155-S184 PolarHBondContact NE2-O 3.32Å; Y159-S184 WeakPolarHBondContact OH-CB 3.49Å; Y159-S184 PolarHBondContact OH-N 3.5Å; S184-S186 PolarHBondContact O-N 3.42Å; S184-S189 WeakPolarHBondContact O-CB 3.48Å; S184-S189 PolarHBondContact O-OG 2.92Å; S184-I300 CarbonylContact C-O 3.04Å; S184-I300 WeakPolarHBondContact CA-O 3.4Å; S184-I300 VanDerWaalsContact CB-O 3.22Å; S184-I300 WeakPolarHBondContact CB-O 3.37Å |
| 185 | W | 88.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110 | 178.7 | -52.4 | -87.5 | 0 | 0 | 0 | 108.8 | C125 I128 N132 I190 I299 I300 P302 | C125-W185 VanDerWaalsContact O-CZ2 3.24Å; C125-W185 WeakPolarHBondContact O-CZ2 3.38Å; I128-W185 HydrophobicContact CD1-CB 4.16Å; I128-W185 HydrophobicContact CD1-CD2 3.93Å; I128-W185 HydrophobicContact CD1-CG 3.76Å; I128-W185 HydrophobicContact CG1-CD2 3.72Å; I128-W185 HydrophobicContact CG1-CE3 4.05Å; I128-W185 HydrophobicContact CG1-CG 4.12Å; I128-W185 HydrophobicContact CG1-CH2 4.32Å; I128-W185 HydrophobicContact CG1-CZ2 4.02Å; I128-W185 HydrophobicContact CG1-CZ3 4.33Å; N132-W185 WeakPolarHBondContact ND2-CZ3 3.3Å; W185-I190 HydrophobicContact CB-CD1 4.38Å; W185-I299 WeakPolarHBondContact O-CA 3.47Å; W185-I300 HydrophobicContact CB-CB 4.34Å; W185-I300 HydrophobicContact CE3-CB 3.91Å; W185-I300 HydrophobicContact CE3-CG2 3.68Å; W185-I300 HydrophobicContact CZ3-CG2 4.01Å; W185-I300 PolarHBondContact N-O 3.47Å; W185-I300 PolarHBondContact O-N 3.1Å; W185-P302 HydrophobicContact CH2-CB 4.11Å; W185-P302 HydrophobicContact CZ3-CB 4.11Å |
| 186 | S | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.8 | 177.8 | 81 | 0 | 0 | 0 | 0 | 109.1 | Q155 S184 A188 S189 I190 | Q155-S186 PolarHBondContact OE1-OG 3.38Å; S184-S186 PolarHBondContact O-N 3.42Å; S186-A188 PolarHBondContact O-N 3.45Å; S186-A188 PolarHBondContact OG-N 3.08Å; S186-S189 PolarHBondContact N-OG 2.69Å; S186-S189 PolarHBondContact O-N 3.2Å; S186-S189 VanDerWaalsContact O-N 3.16Å; S186-S189 PolarHBondContact O-OG 3.15Å; S186-S189 PolarHBondContact OG-N 2.88Å; S186-S189 VanDerWaalsContact OG-N 3.16Å; S186-S189 PolarHBondContact OG-OG 2.96Å; S186-I190 WeakPolarHBondContact O-CG1 3.49Å; S186-I190 PolarHBondContact O-N 3.09Å |
| 187 | L | 90.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.1 | -30.9 | 175.8 | -175.6 | 66.3 | 0 | 0 | 0 | 112.3 | L139 F148 L151 A191 I215 L255 | L139-L187 HydrophobicContact CD1-CD2 3.94Å; F148-L187 HydrophobicContact CE1-CG 4.06Å; F148-L187 WeakPolarHBondContact CE1-O 3.4Å; F148-L187 HydrophobicContact CE2-CD2 4.02Å; F148-L187 HydrophobicContact CE2-CG 4.39Å; F148-L187 HydrophobicContact CZ-CD1 4.43Å; F148-L187 HydrophobicContact CZ-CD2 3.78Å; F148-L187 HydrophobicContact CZ-CG 3.66Å; L151-L187 HydrophobicContact CD2-CB 3.74Å; L187-A191 WeakPolarHBondContact O-CB 3.42Å; L187-A191 PolarHBondContact O-N 3.49Å; L187-I215 HydrophobicContact CD1-CD1 4.39Å; L187-L255 HydrophobicContact CD1-CD2 3.51Å |
| 188 | A | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -81.6 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F148 L151 C152 S186 A191 A192 C200 L203 | F148-A188 HydrophobicContact CD1-CB 3.96Å; L151-A188 HydrophobicContact CB-CB 4.25Å; L151-A188 HydrophobicContact CD2-CB 3.87Å; L151-A188 HydrophobicContact CG-CB 4.25Å; C152-A188 HydrophobicContact CB-CB 4.45Å; S186-A188 PolarHBondContact O-N 3.45Å; S186-A188 PolarHBondContact OG-N 3.08Å; A188-A191 PolarHBondContact O-N 3.1Å; A188-A192 PolarHBondContact O-N 3.44Å; A188-A192 VanDerWaalsContact O-N 3.08Å; A188-C200 HydrophobicContact CB-CB 4.04Å; A188-L203 WeakPolarHBondContact O-CD1 3.13Å |
| 189 | S | 89.6 | Confident | 86.5 | Confident | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -42.4 | 178.3 | 57 | 0 | 0 | 0 | 0 | 111.8 | S184 S186 A191 A192 Q193 | S184-S189 WeakPolarHBondContact O-CB 3.48Å; S184-S189 PolarHBondContact O-OG 2.92Å; S186-S189 PolarHBondContact N-OG 2.69Å; S186-S189 PolarHBondContact O-N 3.2Å; S186-S189 VanDerWaalsContact O-N 3.16Å; S186-S189 PolarHBondContact O-OG 3.15Å; S186-S189 PolarHBondContact OG-N 2.88Å; S186-S189 VanDerWaalsContact OG-N 3.16Å; S186-S189 PolarHBondContact OG-OG 2.96Å; S189-A191 VanDerWaalsContact C-N 3.28Å; S189-A191 PolarHBondContact O-N 3.43Å; S189-A192 WeakPolarHBondContact O-CB 3.28Å; S189-A192 PolarHBondContact O-N 3.33Å; S189-A192 VanDerWaalsContact O-N 3.12Å; S189-Q193 WeakPolarHBondContact O-CG 3.37Å; S189-Q193 PolarHBondContact O-N 3.37Å |
| 190 | I | 89.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -36.5 | 175.4 | -59 | -59.9 | 0 | 0 | 0 | 111.2 | W185 S186 A192 Q193 L194 E251 I254 L255 L259 | W185-I190 HydrophobicContact CB-CD1 4.38Å; S186-I190 WeakPolarHBondContact O-CG1 3.49Å; S186-I190 PolarHBondContact O-N 3.09Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 3.44Å; I190-Q193 PolarHBondContact O-N 3.28Å; I190-L194 HydrophobicContact CG2-CD1 4.31Å; I190-L194 WeakPolarHBondContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.28Å; I190-L194 PolarHBondContact O-N 2.76Å; I190-E251 HydrophobicContact CG2-CB 3.84Å; I190-I254 HydrophobicContact CD1-CG2 4.08Å; I190-I254 HydrophobicContact CG1-CG2 4.34Å; I190-L255 HydrophobicContact CB-CD2 4.25Å; I190-L255 HydrophobicContact CB-CG 4.46Å; I190-L255 HydrophobicContact CG2-CD1 4.08Å; I190-L255 HydrophobicContact CG2-CD2 4.05Å; I190-L255 HydrophobicContact CG2-CG 3.73Å; I190-L259 HydrophobicContact CG1-CD1 3.73Å |
| 191 | A | 90.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -33.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F148 L187 A188 S189 L195 L203 I211 | F148-A191 HydrophobicContact CD1-CB 4.35Å; F148-A191 HydrophobicContact CE1-CB 3.64Å; L187-A191 WeakPolarHBondContact O-CB 3.42Å; L187-A191 PolarHBondContact O-N 3.49Å; A188-A191 PolarHBondContact O-N 3.1Å; S189-A191 VanDerWaalsContact C-N 3.28Å; S189-A191 PolarHBondContact O-N 3.43Å; A191-L195 WeakPolarHBondContact O-CG 3.42Å; A191-L203 HydrophobicContact CB-CD1 4.36Å; A191-I211 HydrophobicContact CB-CD1 4.38Å; A191-I211 HydrophobicContact CB-CG1 4.07Å; A191-I211 HydrophobicContact CB-CG2 4.05Å |
| 192 | A | 89.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A188 S189 I190 L194 L195 D196 K197 L203 | A188-A192 PolarHBondContact O-N 3.44Å; A188-A192 VanDerWaalsContact O-N 3.08Å; S189-A192 WeakPolarHBondContact O-CB 3.28Å; S189-A192 PolarHBondContact O-N 3.33Å; S189-A192 VanDerWaalsContact O-N 3.12Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 3.44Å; A192-L194 PolarHBondContact O-N 3.47Å; A192-L195 CarbonylContact O-C 3.46Å; A192-L195 PolarHBondContact O-N 2.94Å; A192-L195 VanDerWaalsContact O-N 3.12Å; A192-D196 PolarHBondContact O-N 2.94Å; A192-K197 HydrophobicContact CB-CB 4.15Å; A192-K197 PolarHBondContact O-N 2.91Å; A192-L203 HydrophobicContact CB-CD1 4.49Å; A192-L203 HydrophobicContact CB-CG 4.44Å |
| 193 | Q | 87.3 | Confident | 88 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.4 | -71.2 | 174.7 | -10.5 | 0 | 0 | 112.6 | S189 I190 L195 D196 E251 | S189-Q193 WeakPolarHBondContact O-CG 3.37Å; S189-Q193 PolarHBondContact O-N 3.37Å; I190-Q193 PolarHBondContact O-N 3.28Å; Q193-L195 PolarHBondContact O-N 2.8Å; Q193-L195 VanDerWaalsContact O-N 3.12Å; Q193-D196 PolarHBondContact O-N 3.45Å; Q193-E251 HydrophobicContact CB-CG 4.41Å |
| 194 | L | 87.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | 176 | -84.4 | 170 | 0 | 0 | 0 | 114.1 | I190 A192 I211 L214 R249 E251 V252 L255 | I190-L194 HydrophobicContact CG2-CD1 4.31Å; I190-L194 WeakPolarHBondContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.28Å; I190-L194 PolarHBondContact O-N 2.76Å; A192-L194 PolarHBondContact O-N 3.47Å; L194-I211 HydrophobicContact CB-CD1 3.71Å; L194-I211 HydrophobicContact CD1-CD1 3.93Å; L194-I211 HydrophobicContact CG-CD1 4.48Å; L194-L214 HydrophobicContact CD1-CD2 4.38Å; L194-R249 PolarHBondContact O-NH1 3.44Å; L194-E251 HydrophobicContact CD1-CB 4.32Å; L194-E251 HydrophobicContact CD2-CB 3.57Å; L194-E251 HydrophobicContact CD2-CG 4.25Å; L194-E251 HydrophobicContact CG-CB 3.64Å; L194-E251 HydrophobicContact CG-CG 4.29Å; L194-V252 HydrophobicContact CD2-CG2 3.96Å; L194-L255 HydrophobicContact CD1-CD1 3.75Å |
| 195 | L | 89.7 | Confident | 88.5 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.7 | 178.4 | -62.2 | 174.6 | 0 | 0 | 0 | 112.3 | A191 A192 Q193 K197 L203 D207 I211 | A191-L195 WeakPolarHBondContact O-CG 3.42Å; A192-L195 CarbonylContact O-C 3.46Å; A192-L195 PolarHBondContact O-N 2.94Å; A192-L195 VanDerWaalsContact O-N 3.12Å; Q193-L195 PolarHBondContact O-N 2.8Å; Q193-L195 VanDerWaalsContact O-N 3.12Å; L195-K197 HydrophobicContact CB-CG 4.22Å; L195-K197 PolarHBondContact O-N 3.47Å; L195-L203 HydrophobicContact CD1-CD2 3.91Å; L195-D207 HydrophobicContact CD1-CB 3.5Å; L195-I211 HydrophobicContact CD1-CD1 4.29Å; L195-I211 HydrophobicContact CD1-CG1 3.94Å; L195-I211 HydrophobicContact CD2-CD1 4.19Å; L195-I211 HydrophobicContact CD2-CG1 4.49Å; L195-I211 HydrophobicContact CG-CD1 3.97Å; L195-I211 HydrophobicContact CG-CG1 4.19Å |
| 196 | D | 86.5 | Confident | 88.6 | Confident | 132 Ų | 132 | 52.9 Ų | 52.9 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.8 | -177.7 | -55.9 | -48.7 | 0 | 0 | 0 | 113.1 | A192 Q193 | A192-D196 PolarHBondContact O-N 2.94Å; Q193-D196 PolarHBondContact O-N 3.45Å |
| 197 | K | 88.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | trans | -96 | 149 | 175 | -65.9 | -169.1 | 167 | -165.5 | 0 | 111.7 | A192 L195 E202 L203 D207 | A192-K197 HydrophobicContact CB-CB 4.15Å; A192-K197 PolarHBondContact O-N 2.91Å; L195-K197 HydrophobicContact CB-CG 4.22Å; L195-K197 PolarHBondContact O-N 3.47Å; K197-E202 HydrophobicContact CD-CB 3.92Å; K197-E202 PolarHBondContact NZ-O 3.28Å; K197-L203 HydrophobicContact CD-CD2 4.39Å; K197-D207 IonicContact NZ-OD1 3.9Å; K197-D207 IonicContact NZ-OD2 3.67Å; K197-D207 PolarHBondContact NZ-OD2 3.04Å | ||
| 198 | I | 81.1 | Confident | 88.6 | Confident | 145 Ų | 145 | 53.7 Ų | 53.7 | 74% | 0.744 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -73.7 | -46 | -173.2 | -56.6 | 172.7 | 0 | 0 | 0 | 111.4 | ||
| 199 | D | 82.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -138.2 | 157 | -179.6 | -164.8 | 15.7 | 0 | 0 | 0 | 111.7 | Q156 S201 E202 | Q156-D199 PolarHBondContact NE2-OD2 3.43Å; Q156-D199 VanDerWaalsContact NE2-OD2 3.15Å; D199-S201 PolarHBondContact O-N 2.91Å; D199-E202 PolarHBondContact O-N 3.38Å; D199-E202 VanDerWaalsContact O-N 3.12Å |
| 200 | C | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -63 | -15.2 | -179.7 | 59 | 0 | 0 | 0 | 0 | 113.6 | C152 A188 E202 L203 | C152-C200 WeakPolarHBondContact CA-SG 3.48Å; C152-C200 HydrophobicContact CB-CB 3.63Å; C152-C200 WeakPolarHBondContact CB-SG 3.24Å; C152-C200 WeakPolarHBondContact SG-CB 3.32Å; C152-C200 CovalentContact SG-SG 2.03Å; C152-C200 PolarHBondContact SG-SG 3.39Å; A188-C200 HydrophobicContact CB-CB 4.04Å; C200-E202 VanDerWaalsContact C-N 3.26Å; C200-E202 PolarHBondContact O-N 2.87Å; C200-L203 HydrophobicContact CB-CD1 4.42Å; C200-L203 PolarHBondContact O-N 2.75Å |
| 201 | S | 85.9 | Confident | 88.5 | Confident | 76 Ų | 76 | 63 Ų | 63 | 53% | 0.531 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -70.4 | -21.4 | 176.2 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | C152 D199 L203 | C152-S201 PolarHBondContact SG-N 3.18Å; D199-S201 PolarHBondContact O-N 2.91Å; S201-L203 VanDerWaalsContact C-N 3.3Å |
| 202 | E | 88.6 | Confident | 88.4 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -82.7 | -6.8 | -179.9 | -65.1 | -176.5 | 172.5 | 0 | 0 | 113.3 | K197 D199 C200 N204 | K197-E202 HydrophobicContact CD-CB 3.92Å; K197-E202 PolarHBondContact NZ-O 3.28Å; D199-E202 PolarHBondContact O-N 3.38Å; D199-E202 VanDerWaalsContact O-N 3.12Å; C200-E202 VanDerWaalsContact C-N 3.26Å; C200-E202 PolarHBondContact O-N 2.87Å; E202-N204 PolarHBondContact O-N 3.41Å |
| 203 | L | 89.9 | Confident | 88.3 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | trans | -66 | 132.2 | 178.3 | -70.6 | 171.6 | 0 | 0 | 0 | 110.7 | Y145 F148 A188 A191 A192 L195 K197 C200 S201 D207 | Y145-L203 VanDerWaalsContact CE2-O 3.27Å; Y145-L203 WeakPolarHBondContact CE2-O 3.44Å; F148-L203 HydrophobicContact CD1-CD1 4.01Å; A188-L203 WeakPolarHBondContact O-CD1 3.13Å; A191-L203 HydrophobicContact CB-CD1 4.36Å; A192-L203 HydrophobicContact CB-CD1 4.49Å; A192-L203 HydrophobicContact CB-CG 4.44Å; L195-L203 HydrophobicContact CD1-CD2 3.91Å; K197-L203 HydrophobicContact CD-CD2 4.39Å; C200-L203 HydrophobicContact CB-CD1 4.42Å; C200-L203 PolarHBondContact O-N 2.75Å; S201-L203 VanDerWaalsContact C-N 3.3Å; L203-D207 HydrophobicContact CD2-CB 3.98Å | ||
| 204 | N | 91.6 | Very high | 88.4 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | trans | -110.5 | -179.7 | 175.4 | 71.3 | 39.4 | 0 | 0 | 0 | 111.5 | E202 Y206 D207 V208 | E202-N204 PolarHBondContact O-N 3.41Å; N204-Y206 VanDerWaalsContact C-N 3.29Å; N204-Y206 PolarHBondContact O-N 3.35Å; N204-Y206 WeakPolarHBondContact OD1-CA 3.41Å; N204-Y206 VanDerWaalsContact OD1-CB 3.29Å; N204-Y206 WeakPolarHBondContact OD1-CB 3.37Å; N204-Y206 PolarHBondContact OD1-N 3.05Å; N204-D207 PolarHBondContact N-OD2 3.4Å; N204-D207 PolarHBondContact ND2-OD1 2.9Å; N204-D207 PolarHBondContact ND2-OD2 3.18Å; N204-D207 PolarHBondContact OD1-N 3.42Å; N204-D207 PolarHBondContact OD1-OD1 3.21Å; N204-D207 PolarHBondContact OD1-OD2 3.03Å; N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 3.43Å | ||
| 205 | R | 90.8 | Very high | 88.3 | Confident | 177 Ų | 177 | 67.2 Ų | 67.2 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.4 | -28.9 | -179.7 | -70.5 | -177.2 | -176.1 | 177.4 | 2.2 | 113.7 | Y145 R209 | Y145-R205 HydrophobicContact CD1-CG 3.68Å; Y145-R205 HydrophobicContact CD2-CG 4.25Å; Y145-R205 HydrophobicContact CE1-CG 4.31Å; Y145-R205 HydrophobicContact CG-CG 3.63Å; R205-R209 WeakPolarHBondContact O-CG 3.13Å |
| 206 | Y | 91.2 | Very high | 88.1 | Confident | 164 Ų | 164 | 66.1 Ų | 66.1 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.1 | -46.5 | 179.5 | 178.8 | -97.4 | 0 | 0 | 0 | 110.2 | N204 V208 R209 T210 | N204-Y206 VanDerWaalsContact C-N 3.29Å; N204-Y206 PolarHBondContact O-N 3.35Å; N204-Y206 WeakPolarHBondContact OD1-CA 3.41Å; N204-Y206 VanDerWaalsContact OD1-CB 3.29Å; N204-Y206 WeakPolarHBondContact OD1-CB 3.37Å; N204-Y206 PolarHBondContact OD1-N 3.05Å; Y206-V208 VanDerWaalsContact C-N 3.33Å; Y206-V208 PolarHBondContact O-N 3.42Å; Y206-R209 WeakPolarHBondContact O-CA 3.31Å; Y206-R209 WeakPolarHBondContact O-CB 3.28Å; Y206-R209 PolarHBondContact O-N 2.84Å; Y206-T210 PolarHBondContact O-N 3.4Å; Y206-T210 PolarHBondContact O-OG1 3.32Å |
| 207 | D | 91.7 | Very high | 88 | Confident | 16 Ų | 16 | 67 Ų | 67 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53 | -48.4 | 177 | -59 | -18.3 | 0 | 0 | 0 | 112.1 | L195 K197 L203 N204 R209 T210 I211 | L195-D207 HydrophobicContact CD1-CB 3.5Å; K197-D207 IonicContact NZ-OD1 3.9Å; K197-D207 IonicContact NZ-OD2 3.67Å; K197-D207 PolarHBondContact NZ-OD2 3.04Å; L203-D207 HydrophobicContact CD2-CB 3.98Å; N204-D207 PolarHBondContact N-OD2 3.4Å; N204-D207 PolarHBondContact ND2-OD1 2.9Å; N204-D207 PolarHBondContact ND2-OD2 3.18Å; N204-D207 PolarHBondContact OD1-N 3.42Å; N204-D207 PolarHBondContact OD1-OD1 3.21Å; N204-D207 PolarHBondContact OD1-OD2 3.03Å; D207-R209 PolarHBondContact O-N 3.48Å; D207-T210 WeakPolarHBondContact O-CB 3.35Å; D207-T210 PolarHBondContact O-N 2.9Å; D207-T210 VanDerWaalsContact O-N 3.08Å; D207-I211 WeakPolarHBondContact O-CG1 3.31Å; D207-I211 PolarHBondContact O-N 3.42Å |
| 208 | V | 89.2 | Confident | 87.9 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -32.7 | 178.1 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | Y145 F148 N204 Y206 R212 | Y145-V208 HydrophobicContact CD2-CG2 4.26Å; F148-V208 HydrophobicContact CB-CG2 4.08Å; F148-V208 HydrophobicContact CD1-CG2 4.24Å; F148-V208 HydrophobicContact CD2-CG1 3.83Å; F148-V208 HydrophobicContact CD2-CG2 4.24Å; F148-V208 HydrophobicContact CE2-CG1 3.97Å; F148-V208 HydrophobicContact CG-CG1 4.36Å; F148-V208 HydrophobicContact CG-CG2 3.92Å; N204-V208 WeakPolarHBondContact O-CG2 3.39Å; N204-V208 PolarHBondContact O-N 3.43Å; Y206-V208 VanDerWaalsContact C-N 3.33Å; Y206-V208 PolarHBondContact O-N 3.42Å; V208-R212 WeakPolarHBondContact O-CB 3.21Å; V208-R212 PolarHBondContact O-N 3.48Å |
| 209 | R | 88.5 | Confident | 88 | Confident | 146 Ų | 146 | 58.1 Ų | 58.1 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.1 | -38.4 | 174.6 | -69.4 | 173.7 | -176.3 | 169.5 | 0.8 | 111.7 | R205 Y206 D207 R212 N213 | R205-R209 WeakPolarHBondContact O-CG 3.13Å; Y206-R209 WeakPolarHBondContact O-CA 3.31Å; Y206-R209 WeakPolarHBondContact O-CB 3.28Å; Y206-R209 PolarHBondContact O-N 2.84Å; D207-R209 PolarHBondContact O-N 3.48Å; R209-R212 PolarHBondContact O-N 3.22Å; R209-N213 WeakPolarHBondContact O-CB 3.27Å; R209-N213 PolarHBondContact O-N 2.99Å; R209-N213 PolarHBondContact O-ND2 3.34Å; R209-N213 PolarHBondContact O-OD1 3.03Å |
| 210 | T | 90.4 | Very high | 87.9 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -52.5 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | Y206 D207 R212 N213 L214 | Y206-T210 PolarHBondContact O-N 3.4Å; Y206-T210 PolarHBondContact O-OG1 3.32Å; D207-T210 WeakPolarHBondContact O-CB 3.35Å; D207-T210 PolarHBondContact O-N 2.9Å; D207-T210 VanDerWaalsContact O-N 3.08Å; T210-R212 VanDerWaalsContact C-N 3.33Å; T210-R212 PolarHBondContact O-N 3.46Å; T210-N213 PolarHBondContact O-N 3.02Å; T210-N213 VanDerWaalsContact O-N 3.11Å; T210-L214 PolarHBondContact O-N 3.39Å |
| 211 | I | 89.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.2 | -68.5 | -66 | 0 | 0 | 0 | 111.5 | A191 L194 L195 D207 N213 L214 I215 | A191-I211 HydrophobicContact CB-CD1 4.38Å; A191-I211 HydrophobicContact CB-CG1 4.07Å; A191-I211 HydrophobicContact CB-CG2 4.05Å; L194-I211 HydrophobicContact CB-CD1 3.71Å; L194-I211 HydrophobicContact CD1-CD1 3.93Å; L194-I211 HydrophobicContact CG-CD1 4.48Å; L195-I211 HydrophobicContact CD1-CD1 4.29Å; L195-I211 HydrophobicContact CD1-CG1 3.94Å; L195-I211 HydrophobicContact CD2-CD1 4.19Å; L195-I211 HydrophobicContact CD2-CG1 4.49Å; L195-I211 HydrophobicContact CG-CD1 3.97Å; L195-I211 HydrophobicContact CG-CG1 4.19Å; D207-I211 WeakPolarHBondContact O-CG1 3.31Å; D207-I211 PolarHBondContact O-N 3.42Å; I211-N213 VanDerWaalsContact C-N 3.32Å; I211-N213 PolarHBondContact O-N 2.96Å; I211-L214 WeakPolarHBondContact O-CB 3.38Å; I211-L214 PolarHBondContact O-N 3.21Å; I211-I215 HydrophobicContact CG2-CD1 3.8Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 WeakPolarHBondContact O-CG1 3.49Å; I211-I215 PolarHBondContact O-N 3.18Å |
| 212 | R | 87.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 62 Ų | 62 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 174.7 | 179.2 | -168.2 | 70 | 180 | 1.7 | 111.2 | F143 V208 R209 T210 L214 I215 Y216 | F143-R212 HydrophobicContact CB-CB 4.05Å; F143-R212 HydrophobicContact CB-CG 3.66Å; F143-R212 HydrophobicContact CD1-CB 4.19Å; F143-R212 HydrophobicContact CD1-CG 4.14Å; F143-R212 HydrophobicContact CD2-CG 4.2Å; F143-R212 HydrophobicContact CG-CB 4.21Å; F143-R212 HydrophobicContact CG-CG 3.73Å; V208-R212 WeakPolarHBondContact O-CB 3.21Å; V208-R212 PolarHBondContact O-N 3.48Å; R209-R212 PolarHBondContact O-N 3.22Å; T210-R212 VanDerWaalsContact C-N 3.33Å; T210-R212 PolarHBondContact O-N 3.46Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 2.88Å; R212-I215 PolarHBondContact O-N 3.3Å; R212-Y216 HydrophobicContact CG-CD2 3.73Å; R212-Y216 HydrophobicContact CG-CE2 3.45Å; R212-Y216 VanDerWaalsContact CG-CE2 3.45Å; R212-Y216 WeakPolarHBondContact O-CD2 3.48Å; R212-Y216 PolarHBondContact O-N 3.03Å |
| 213 | N | 87.1 | Confident | 86.7 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | -178.7 | -66.6 | -11 | 0 | 0 | 0 | 111.6 | R209 T210 I211 Y216 R217 | R209-N213 WeakPolarHBondContact O-CB 3.27Å; R209-N213 PolarHBondContact O-N 2.99Å; R209-N213 PolarHBondContact O-ND2 3.34Å; R209-N213 PolarHBondContact O-OD1 3.03Å; T210-N213 PolarHBondContact O-N 3.02Å; T210-N213 VanDerWaalsContact O-N 3.11Å; I211-N213 VanDerWaalsContact C-N 3.32Å; I211-N213 PolarHBondContact O-N 2.96Å; N213-Y216 PolarHBondContact O-N 3.36Å; N213-R217 WeakPolarHBondContact O-CG 3.22Å; N213-R217 PolarHBondContact O-N 3.3Å |
| 214 | L | 88.5 | Confident | 86.1 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 174 | 179.5 | 64.5 | 0 | 0 | 0 | 111.2 | L194 T210 I211 R212 Y216 R217 C218 E246 V252 | L194-L214 HydrophobicContact CD1-CD2 4.38Å; T210-L214 PolarHBondContact O-N 3.39Å; I211-L214 WeakPolarHBondContact O-CB 3.38Å; I211-L214 PolarHBondContact O-N 3.21Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 2.88Å; L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 3.42Å; L214-R217 PolarHBondContact O-N 3.4Å; L214-R217 VanDerWaalsContact O-N 3.11Å; L214-C218 PolarHBondContact O-N 3.49Å; L214-C218 PolarHBondContact O-SG 3.41Å; L214-E246 HydrophobicContact CD1-CB 3.9Å; L214-V252 HydrophobicContact CD2-CG2 4.45Å |
| 215 | I | 86.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.9 | -48.9 | 177.7 | -68.5 | 169.5 | 0 | 0 | 0 | 109.9 | F143 L187 I211 R212 R217 C218 A219 L255 Y256 I260 V265 | F143-I215 HydrophobicContact CE1-CD1 3.72Å; F143-I215 HydrophobicContact CE1-CG2 4.47Å; F143-I215 HydrophobicContact CZ-CD1 4.47Å; F143-I215 HydrophobicContact CZ-CG2 4.25Å; L187-I215 HydrophobicContact CD1-CD1 4.39Å; I211-I215 HydrophobicContact CG2-CD1 3.8Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 WeakPolarHBondContact O-CG1 3.49Å; I211-I215 PolarHBondContact O-N 3.18Å; R212-I215 PolarHBondContact O-N 3.3Å; I215-R217 VanDerWaalsContact C-N 3.31Å; I215-R217 PolarHBondContact O-N 2.75Å; I215-C218 PolarHBondContact O-N 2.93Å; I215-A219 PolarHBondContact O-N 3.38Å; I215-L255 HydrophobicContact CD1-CD1 4.37Å; I215-L255 HydrophobicContact CG1-CD1 4.35Å; I215-Y256 PolarHBondContact O-OH 2.83Å; I215-I260 HydrophobicContact CD1-CD1 4.44Å; I215-I260 HydrophobicContact CG2-CD1 3.94Å; I215-V265 HydrophobicContact CG2-CG2 4.15Å |
| 216 | Y | 85.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | 179.4 | -78 | -68.8 | 0 | 0 | 0 | 114.3 | F143 R212 N213 L214 V265 L289 | F143-Y216 HydrophobicContact CD2-CE2 4.18Å; F143-Y216 HydrophobicContact CE2-CE2 4.21Å; R212-Y216 HydrophobicContact CG-CD2 3.73Å; R212-Y216 HydrophobicContact CG-CE2 3.45Å; R212-Y216 VanDerWaalsContact CG-CE2 3.45Å; R212-Y216 WeakPolarHBondContact O-CD2 3.48Å; R212-Y216 PolarHBondContact O-N 3.03Å; N213-Y216 PolarHBondContact O-N 3.36Å; L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 3.42Å; Y216-V265 HydrophobicContact CD1-CG1 3.57Å; Y216-V265 HydrophobicContact CE1-CG1 3.66Å; Y216-L289 HydrophobicContact CD1-CD1 3.97Å; Y216-L289 HydrophobicContact CD1-CD2 4.27Å; Y216-L289 HydrophobicContact CD1-CG 4.19Å; Y216-L289 HydrophobicContact CD2-CD1 4.38Å; Y216-L289 HydrophobicContact CD2-CD2 3.62Å; Y216-L289 HydrophobicContact CD2-CG 4.4Å; Y216-L289 HydrophobicContact CE1-CD1 4.27Å; Y216-L289 HydrophobicContact CE1-CD2 4.01Å; Y216-L289 HydrophobicContact CE1-CG 3.99Å; Y216-L289 HydrophobicContact CE2-CD2 3.38Å; Y216-L289 HydrophobicContact CE2-CG 4.26Å; Y216-L289 HydrophobicContact CG-CD1 4.03Å; Y216-L289 HydrophobicContact CG-CD2 4.09Å; Y216-L289 HydrophobicContact CG-CG 4.4Å |
| 217 | R | 85 | Confident | 83.8 | Confident | 150 Ų | 150 | 50.9 Ų | 50.9 | 57% | 0.566 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.6 | -46.2 | 174.6 | -72.6 | 177 | -171.1 | 175.3 | 0.4 | 111.3 | N213 L214 I215 A219 E246 | N213-R217 WeakPolarHBondContact O-CG 3.22Å; N213-R217 PolarHBondContact O-N 3.3Å; L214-R217 PolarHBondContact O-N 3.4Å; L214-R217 VanDerWaalsContact O-N 3.11Å; I215-R217 VanDerWaalsContact C-N 3.31Å; I215-R217 PolarHBondContact O-N 2.75Å; R217-A219 PolarHBondContact O-N 2.9Å; R217-E246 IonicContact NH1-OE1 2.63Å; R217-E246 IonicContact NH1-OE2 3.86Å; R217-E246 PolarHBondContact NH1-OE2 3.34Å; R217-E246 VanDerWaalsContact NH1-OE2 3.15Å |
| 218 | C | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -16.4 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | L214 I215 A220 Y221 C247 V252 Y256 | L214-C218 PolarHBondContact O-N 3.49Å; L214-C218 PolarHBondContact O-SG 3.41Å; I215-C218 PolarHBondContact O-N 2.93Å; C218-A220 PolarHBondContact O-N 3.38Å; C218-A220 VanDerWaalsContact O-N 3.17Å; C218-Y221 PolarHBondContact O-N 2.91Å; C218-C247 WeakPolarHBondContact CA-SG 3.47Å; C218-C247 HydrophobicContact CB-CB 3.89Å; C218-C247 WeakPolarHBondContact CB-SG 3.45Å; C218-C247 VanDerWaalsContact SG-CA 3.52Å; C218-C247 WeakPolarHBondContact SG-CB 3.41Å; C218-C247 CovalentContact SG-SG 2.04Å; C218-C247 PolarHBondContact SG-SG 3.45Å; C218-V252 HydrophobicContact CB-CG1 4.15Å; C218-Y256 HydrophobicContact CB-CE2 3.96Å |
| 219 | A | 83 | Confident | 81.8 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -58.7 | -29.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I215 R217 Y221 K222 Y256 V265 | I215-A219 PolarHBondContact O-N 3.38Å; R217-A219 PolarHBondContact O-N 2.9Å; A219-Y221 PolarHBondContact O-N 3.43Å; A219-K222 WeakPolarHBondContact O-CG 3.21Å; A219-K222 PolarHBondContact O-N 3.48Å; A219-Y256 WeakPolarHBondContact CA-OH 3.38Å; A219-Y256 WeakPolarHBondContact CB-OH 3.44Å; A219-Y256 PolarHBondContact N-OH 2.99Å; A219-Y256 VanDerWaalsContact N-OH 3.14Å; A219-V265 HydrophobicContact CB-CB 4.37Å; A219-V265 HydrophobicContact CB-CG1 3.68Å |
| 220 | A | 80.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 60% | 0.595 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -65.6 | -26.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C218 | C218-A220 PolarHBondContact O-N 3.38Å; C218-A220 VanDerWaalsContact O-N 3.17Å |
| 221 | Y | 82.3 | Confident | 79.2 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -101.6 | 10.5 | -176.7 | -56.3 | -79 | 0 | 0 | 0 | 113.1 | C218 A219 G223 H224 L225 N242 P244 | C218-Y221 PolarHBondContact O-N 2.91Å; A219-Y221 PolarHBondContact O-N 3.43Å; Y221-G223 PolarHBondContact O-N 3.25Å; Y221-G223 VanDerWaalsContact O-N 3.15Å; Y221-H224 PolarHBondContact O-N 3.13Å; Y221-L225 PolarHBondContact O-N 3.34Å; Y221-L225 VanDerWaalsContact O-N 3.1Å; Y221-N242 WeakPolarHBondContact CE1-O 3.16Å; Y221-P244 HydrophobicContact CD2-CG 4.24Å; Y221-P244 HydrophobicContact CE2-CG 3.66Å |
| 222 | K | 79 | Confident | 78 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.2 | -38 | -175.8 | 70.7 | -179.9 | -173.2 | 172.6 | 0 | 113.6 | A219 H224 L225 Y226 Y256 V262 | A219-K222 WeakPolarHBondContact O-CG 3.21Å; A219-K222 PolarHBondContact O-N 3.48Å; K222-H224 VanDerWaalsContact C-N 3.32Å; K222-H224 PolarHBondContact O-N 2.98Å; K222-L225 WeakPolarHBondContact O-CB 3.38Å; K222-L225 PolarHBondContact O-N 3.03Å; K222-Y226 HydrophobicContact CB-CE2 4.14Å; K222-Y226 HydrophobicContact CD-CE2 4.4Å; K222-Y226 HydrophobicContact CG-CE2 4.14Å; K222-Y226 WeakPolarHBondContact O-CD2 3.5Å; K222-Y226 PolarHBondContact O-N 3.4Å; K222-Y256 HydrophobicContact CB-CD1 4.11Å; K222-Y256 HydrophobicContact CB-CE1 4.23Å; K222-V262 PolarHBondContact NZ-O 2.9Å |
| 223 | G | 77 | Confident | 76.5 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 43% | 0.433 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y221 | Y221-G223 PolarHBondContact O-N 3.25Å; Y221-G223 VanDerWaalsContact O-N 3.15Å |
| 224 | H | 77.5 | Confident | 75 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 174 | -64.1 | -72.5 | 0 | 0 | 0 | 111.1 | Y221 K222 Y226 N227 C228 L243 | Y221-H224 PolarHBondContact O-N 3.13Å; K222-H224 VanDerWaalsContact C-N 3.32Å; K222-H224 PolarHBondContact O-N 2.98Å; H224-Y226 VanDerWaalsContact C-N 3.27Å; H224-Y226 PolarHBondContact O-N 2.88Å; H224-N227 PolarHBondContact O-N 3.46Å; H224-N227 VanDerWaalsContact O-N 3.07Å; H224-C228 PolarHBondContact O-N 3.02Å; H224-C228 PolarHBondContact O-SG 3.02Å; H224-L243 HydrophobicContact CB-CD1 3.88Å |
| 225 | L | 75.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.2 | -40 | 176.6 | -80.9 | 146.2 | 0 | 0 | 0 | 112.6 | Y221 K222 N227 C228 F232 L243 V252 F253 Y256 | Y221-L225 PolarHBondContact O-N 3.34Å; Y221-L225 VanDerWaalsContact O-N 3.1Å; K222-L225 WeakPolarHBondContact O-CB 3.38Å; K222-L225 PolarHBondContact O-N 3.03Å; L225-N227 VanDerWaalsContact C-N 3.3Å; L225-N227 PolarHBondContact O-N 3.04Å; L225-C228 PolarHBondContact O-N 3.42Å; L225-F232 HydrophobicContact CD2-CE2 4.49Å; L225-L243 HydrophobicContact CD2-CD2 4.24Å; L225-L243 HydrophobicContact CG-CD2 3.97Å; L225-V252 HydrophobicContact CD2-CG1 4.45Å; L225-F253 HydrophobicContact CD2-CB 4.32Å; L225-F253 WeakPolarHBondContact O-CE2 3.48Å; L225-Y256 HydrophobicContact CD1-CD2 4.01Å; L225-Y256 HydrophobicContact CD1-CE2 4.5Å; L225-Y256 HydrophobicContact CD1-CG 4.37Å |
| 226 | Y | 75.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -30.5 | 178.5 | -58.8 | -31.2 | 0 | 0 | 0 | 113.5 | K222 H224 Y256 V624 | K222-Y226 HydrophobicContact CB-CE2 4.14Å; K222-Y226 HydrophobicContact CD-CE2 4.4Å; K222-Y226 HydrophobicContact CG-CE2 4.14Å; K222-Y226 WeakPolarHBondContact O-CD2 3.5Å; K222-Y226 PolarHBondContact O-N 3.4Å; H224-Y226 VanDerWaalsContact C-N 3.27Å; H224-Y226 PolarHBondContact O-N 2.88Å; Y226-Y256 WeakPolarHBondContact CE1-O 3.07Å; Y226-V624 HydrophobicContact CD1-CB 4.41Å; Y226-V624 HydrophobicContact CD1-CG1 4.15Å; Y226-V624 HydrophobicContact CD1-CG2 3.91Å; Y226-V624 HydrophobicContact CD2-CG2 4.36Å; Y226-V624 HydrophobicContact CE1-CB 4.43Å; Y226-V624 HydrophobicContact CE1-CG2 3.61Å; Y226-V624 HydrophobicContact CE2-CG2 4.08Å; Y226-V624 HydrophobicContact CG-CG1 4.3Å; Y226-V624 HydrophobicContact CG-CG2 4.29Å |
| 227 | N | 73.5 | Confident | 71.7 | Confident | 123 Ų | 123 | 56 Ų | 56 | 66% | 0.658 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84.3 | -12.2 | 179.2 | -69.1 | -7.1 | 0 | 0 | 0 | 113.1 | H224 L225 S229 | H224-N227 PolarHBondContact O-N 3.46Å; H224-N227 VanDerWaalsContact O-N 3.07Å; L225-N227 VanDerWaalsContact C-N 3.3Å; L225-N227 PolarHBondContact O-N 3.04Å; N227-S229 VanDerWaalsContact C-N 3.25Å; N227-S229 PolarHBondContact O-N 3.34Å |
| 228 | C | 72.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 11.2 | -177.4 | -62 | 0 | 0 | 0 | 0 | 114.2 | H224 L225 D230 D231 F232 C238 | H224-C228 PolarHBondContact O-N 3.02Å; H224-C228 PolarHBondContact O-SG 3.02Å; L225-C228 PolarHBondContact O-N 3.42Å; C228-D230 VanDerWaalsContact C-N 3.3Å; C228-D230 PolarHBondContact O-N 3.16Å; C228-D231 PolarHBondContact O-N 2.9Å; C228-F232 HydrophobicContact CB-CD2 3.55Å; C228-F232 HydrophobicContact CB-CE2 3.59Å; C228-F232 WeakPolarHBondContact O-CD2 3.28Å; C228-F232 PolarHBondContact O-N 2.93Å; C228-F232 VanDerWaalsContact O-N 3.08Å; C228-C238 HydrophobicContact CB-CB 3.55Å; C228-C238 WeakPolarHBondContact CB-SG 3.18Å; C228-C238 WeakPolarHBondContact SG-CB 3.36Å; C228-C238 CovalentContact SG-SG 2.02Å; C228-C238 PolarHBondContact SG-SG 3.46Å |
| 229 | S | 67 | Low | 70.2 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.7 | -45.5 | -171.9 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | N227 T233 | N227-S229 VanDerWaalsContact C-N 3.25Å; N227-S229 PolarHBondContact O-N 3.34Å; S229-T233 WeakPolarHBondContact O-CG2 3.34Å; S229-T233 PolarHBondContact O-N 3.34Å; S229-T233 PolarHBondContact O-OG1 2.89Å |
| 230 | D | 63 | Low | 69.4 | Low | 121 Ų | 121 | 61.2 Ų | 61.2 | 65% | 0.647 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.1 | -39.1 | -177.7 | -59.5 | -25 | 0 | 0 | 0 | 111.9 | C228 F232 T233 T234 | C228-D230 VanDerWaalsContact C-N 3.3Å; C228-D230 PolarHBondContact O-N 3.16Å; D230-F232 PolarHBondContact O-N 2.97Å; D230-T233 PolarHBondContact O-N 2.7Å; D230-T233 PolarHBondContact O-OG1 3.45Å; D230-T234 WeakPolarHBondContact O-CG2 3.32Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 VanDerWaalsContact O-N 3.12Å; D230-T234 PolarHBondContact O-OG1 2.96Å |
| 231 | D | 61.2 | Low | 68.4 | Low | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 179.9 | -78.6 | -0.5 | 0 | 0 | 0 | 112.4 | C228 T233 T234 I235 G236 R239 | C228-D231 PolarHBondContact O-N 2.9Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 3.5Å; D231-T234 PolarHBondContact O-N 3.01Å; D231-T234 PolarHBondContact O-OG1 3.31Å; D231-I235 WeakPolarHBondContact O-CB 3.29Å; D231-I235 PolarHBondContact O-N 3.26Å; D231-G236 PolarHBondContact O-N 3.41Å; D231-R239 PolarHBondContact OD2-N 2.88Å |
| 232 | F | 63.4 | Low | 67.7 | Low | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 178.4 | -83.4 | -70.4 | 0 | 0 | 0 | 112.4 | L225 C228 D230 G236 C238 N248 L250 F253 | L225-F232 HydrophobicContact CD2-CE2 4.49Å; C228-F232 HydrophobicContact CB-CD2 3.55Å; C228-F232 HydrophobicContact CB-CE2 3.59Å; C228-F232 WeakPolarHBondContact O-CD2 3.28Å; C228-F232 PolarHBondContact O-N 2.93Å; C228-F232 VanDerWaalsContact O-N 3.08Å; D230-F232 PolarHBondContact O-N 2.97Å; F232-G236 WeakPolarHBondContact O-CA 3.24Å; F232-G236 PolarHBondContact O-N 3.47Å; F232-C238 HydrophobicContact CD2-CB 4.2Å; F232-C238 HydrophobicContact CE2-CB 3.56Å; F232-C238 HydrophobicContact CZ-CB 3.83Å; F232-N248 WeakPolarHBondContact CZ-OD1 3.27Å; F232-L250 HydrophobicContact CB-CD1 4.23Å; F232-L250 HydrophobicContact CD1-CD1 4.16Å; F232-L250 HydrophobicContact CG-CD1 4.5Å; F232-F253 HydrophobicContact CB-CD1 4.23Å; F232-F253 HydrophobicContact CB-CE1 4.38Å; F232-F253 HydrophobicContact CB-CG 4.41Å; F232-F253 HydrophobicContact CD1-CB 4.39Å; F232-F253 HydrophobicContact CD2-CB 3.89Å; F232-F253 HydrophobicContact CD2-CD1 4.27Å; F232-F253 AromaticContact CD2-CD2 3.5Å; F232-F253 HydrophobicContact CD2-CD2 3.5Å; F232-F253 HydrophobicContact CD2-CE2 4.08Å; F232-F253 AromaticContact CD2-CG 3.61Å; F232-F253 HydrophobicContact CD2-CG 3.61Å; F232-F253 HydrophobicContact CE1-CB 4.33Å; F232-F253 HydrophobicContact CE2-CB 3.8Å; F232-F253 AromaticContact CE2-CD2 3.83Å; F232-F253 HydrophobicContact CE2-CD2 3.83Å; F232-F253 AromaticContact CE2-CG 3.98Å; F232-F253 HydrophobicContact CE2-CG 3.98Å; F232-F253 HydrophobicContact CG-CB 4.2Å; F232-F253 HydrophobicContact CG-CD1 4.27Å; F232-F253 HydrophobicContact CG-CD2 4.29Å; F232-F253 AromaticContact CG-CG 3.99Å; F232-F253 HydrophobicContact CG-CG 3.99Å; F232-F253 HydrophobicContact CZ-CB 4.04Å |
| 233 | T | 56.3 | Low | 67.7 | Low | 71 Ų | 71 | 66 Ų | 66 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.8 | -27.2 | 177.2 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | S229 D230 D231 | S229-T233 WeakPolarHBondContact O-CG2 3.34Å; S229-T233 PolarHBondContact O-N 3.34Å; S229-T233 PolarHBondContact O-OG1 2.89Å; D230-T233 PolarHBondContact O-N 2.7Å; D230-T233 PolarHBondContact O-OG1 3.45Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 3.5Å |
| 234 | T | 56.4 | Low | 67.9 | Low | 93 Ų | 93 | 66.3 Ų | 66.3 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -101.4 | -37.2 | -174.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | D230 D231 | D230-T234 WeakPolarHBondContact O-CG2 3.32Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 VanDerWaalsContact O-N 3.12Å; D230-T234 PolarHBondContact O-OG1 2.96Å; D231-T234 PolarHBondContact O-N 3.01Å; D231-T234 PolarHBondContact O-OG1 3.31Å |
| 235 | I | 59.7 | Low | 68.1 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -120 | -10.8 | -169.7 | -59 | 150.2 | 0 | 0 | 0 | 111.3 | D231 S237 | D231-I235 WeakPolarHBondContact O-CB 3.29Å; D231-I235 PolarHBondContact O-N 3.26Å; I235-S237 PolarHBondContact O-N 3.45Å |
| 236 | G | 63.7 | Low | 68.4 | Low | 42 Ų | 42 | 76.4 Ų | 76.4 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 71.5 | 3.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D231 F232 | D231-G236 PolarHBondContact O-N 3.41Å; F232-G236 WeakPolarHBondContact O-CA 3.24Å; F232-G236 PolarHBondContact O-N 3.47Å |
| 237 | S | 67.9 | Low | 68.8 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -152 | 148.1 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | I235 | I235-S237 PolarHBondContact O-N 3.45Š|
| 238 | C | 71.7 | Confident | 69.3 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | trans | -84.9 | 133.4 | 177.4 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | C228 F232 H240 N248 | C228-C238 HydrophobicContact CB-CB 3.55Å; C228-C238 WeakPolarHBondContact CB-SG 3.18Å; C228-C238 WeakPolarHBondContact SG-CB 3.36Å; C228-C238 CovalentContact SG-SG 2.02Å; C228-C238 PolarHBondContact SG-SG 3.46Å; F232-C238 HydrophobicContact CD2-CB 4.2Å; F232-C238 HydrophobicContact CE2-CB 3.56Å; F232-C238 HydrophobicContact CZ-CB 3.83Å; C238-H240 VanDerWaalsContact C-N 3.34Å; C238-N248 PolarHBondContact N-OD1 3.46Å; C238-N248 PolarHBondContact O-ND2 2.92Å | ||
| 239 | R | 68.3 | Low | 69.8 | Low | 179 Ų | 179 | 75.1 Ų | 75.1 | 68% | 0.675 | 39% | 0.393 | S | S | * | . | trans | -85.4 | -0.7 | -177.5 | -71.3 | -174.9 | 176.8 | 175 | 5.5 | 114.4 | D231 L241 | D231-R239 PolarHBondContact OD2-N 2.88Å; R239-L241 PolarHBondContact O-N 3.07Å | ||
| 240 | H | 66 | Low | 70.4 | Confident | 86 Ų | 86 | 76 Ų | 76 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | trans | -63.9 | 120.4 | 178.9 | -85 | -56.5 | 0 | 0 | 0 | 112.1 | C238 N242 L243 | C238-H240 VanDerWaalsContact C-N 3.34Å; H240-N242 PolarHBondContact O-N 3.13Å; H240-L243 HydrophobicContact CB-CD1 3.61Å; H240-L243 PolarHBondContact O-N 3.3Å | ||
| 241 | L | 58.2 | Low | 71.4 | Confident | 171 Ų | 171 | 72.1 Ų | 72.1 | 90% | 0.895 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -5.6 | -170.7 | -110.7 | 83.1 | 0 | 0 | 0 | 117.1 | R239 | R239-L241 PolarHBondContact O-N 3.07Š|
| 242 | N | 69.3 | Low | 72.6 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 5.3 | -171.1 | -69.3 | -18.2 | 0 | 0 | 0 | 114.6 | Y221 H240 | Y221-N242 WeakPolarHBondContact CE1-O 3.16Å; H240-N242 PolarHBondContact O-N 3.13Å |
| 243 | L | 77.2 | Confident | 73.6 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | trans | -88 | 128.9 | 176.7 | -76.7 | 94.9 | 0 | 0 | 0 | 111.5 | H224 L225 H240 | H224-L243 HydrophobicContact CB-CD1 3.88Å; L225-L243 HydrophobicContact CD2-CD2 4.24Å; L225-L243 HydrophobicContact CG-CD2 3.97Å; H240-L243 HydrophobicContact CB-CD1 3.61Å; H240-L243 PolarHBondContact O-N 3.3Å | ||
| 244 | P | 82.5 | Confident | 74.9 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | trans | -58.4 | 144.1 | 167.1 | -19.7 | 30.6 | 0 | 0 | 0 | 110.9 | Y221 E246 C247 N248 | Y221-P244 HydrophobicContact CD2-CG 4.24Å; Y221-P244 HydrophobicContact CE2-CG 3.66Å; P244-E246 PolarHBondContact O-N 3.4Å; P244-C247 CarbonylContact O-C 3.55Å; P244-C247 WeakPolarHBondContact O-CA 3.45Å; P244-C247 PolarHBondContact O-N 2.93Å; P244-N248 PolarHBondContact O-N 2.98Å | ||
| 245 | E | 81.3 | Confident | 76.3 | Confident | 181 Ų | 181 | 63.1 Ų | 63.1 | 85% | 0.846 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -54.9 | -37.9 | 177.6 | -69.3 | -173 | 166.7 | 0 | 0 | 112.4 | C247 N248 | E245-C247 PolarHBondContact O-N 3.01Å; E245-C247 VanDerWaalsContact O-N 3.15Å; E245-N248 PolarHBondContact O-N 3.02Å; E245-N248 VanDerWaalsContact O-N 3.07Å |
| 246 | E | 82.2 | Confident | 77.5 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -57.3 | -29.3 | 174.8 | -63.2 | -176.9 | 179.1 | 0 | 0 | 112.9 | L214 R217 P244 | L214-E246 HydrophobicContact CD1-CB 3.9Å; R217-E246 IonicContact NH1-OE1 2.63Å; R217-E246 IonicContact NH1-OE2 3.86Å; R217-E246 PolarHBondContact NH1-OE2 3.34Å; R217-E246 VanDerWaalsContact NH1-OE2 3.15Å; P244-E246 PolarHBondContact O-N 3.4Å |
| 247 | C | 83.5 | Confident | 78.4 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -97.6 | -12 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | C218 P244 E245 R249 | C218-C247 WeakPolarHBondContact CA-SG 3.47Å; C218-C247 HydrophobicContact CB-CB 3.89Å; C218-C247 WeakPolarHBondContact CB-SG 3.45Å; C218-C247 VanDerWaalsContact SG-CA 3.52Å; C218-C247 WeakPolarHBondContact SG-CB 3.41Å; C218-C247 CovalentContact SG-SG 2.04Å; C218-C247 PolarHBondContact SG-SG 3.45Å; P244-C247 CarbonylContact O-C 3.55Å; P244-C247 WeakPolarHBondContact O-CA 3.45Å; P244-C247 PolarHBondContact O-N 2.93Å; E245-C247 PolarHBondContact O-N 3.01Å; E245-C247 VanDerWaalsContact O-N 3.15Å; C247-R249 PolarHBondContact O-N 2.96Å |
| 248 | N | 83.6 | Confident | 79.3 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | trans | -91.4 | 38.7 | 179.3 | -160.2 | 15.3 | 0 | 0 | 0 | 112.2 | F232 C238 P244 E245 | F232-N248 WeakPolarHBondContact CZ-OD1 3.27Å; C238-N248 PolarHBondContact N-OD1 3.46Å; C238-N248 PolarHBondContact O-ND2 2.92Å; P244-N248 PolarHBondContact O-N 2.98Å; E245-N248 PolarHBondContact O-N 3.02Å; E245-N248 VanDerWaalsContact O-N 3.07Å | ||
| 249 | R | 83.2 | Confident | 80 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.5 | 144.8 | 174.1 | -56.9 | -170.1 | 78.5 | 179.7 | 4.7 | 110.5 | L194 C247 E251 V252 F253 | L194-R249 PolarHBondContact O-NH1 3.44Å; C247-R249 PolarHBondContact O-N 2.96Å; R249-E251 VanDerWaalsContact CB-OE2 3.29Å; R249-E251 WeakPolarHBondContact CB-OE2 3.48Å; R249-E251 IonicContact NE-OE2 3.02Å; R249-E251 PolarHBondContact O-N 3.26Å; R249-V252 HydrophobicContact CB-CG2 4.35Å; R249-V252 PolarHBondContact O-N 3.39Å; R249-V252 VanDerWaalsContact O-N 3.08Å; R249-F253 PolarHBondContact O-N 3.02Å; R249-F253 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 80.5 | Confident | 80.9 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.5 | -37 | -179.2 | -179.7 | 65.7 | 0 | 0 | 0 | 112.3 | F232 V252 F253 I254 | F232-L250 HydrophobicContact CB-CD1 4.23Å; F232-L250 HydrophobicContact CD1-CD1 4.16Å; F232-L250 HydrophobicContact CG-CD1 4.5Å; L250-V252 VanDerWaalsContact C-N 3.33Å; L250-V252 PolarHBondContact O-N 2.94Å; L250-F253 HydrophobicContact CD1-CD1 4.26Å; L250-F253 WeakPolarHBondContact O-CB 3.5Å; L250-F253 PolarHBondContact O-N 3Å; L250-I254 HydrophobicContact CG-CD1 4.2Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 3.44Å |
| 251 | E | 84.6 | Confident | 81.8 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 179.6 | -57.6 | 84.4 | 176.4 | 0 | 0 | 112 | I190 Q193 L194 R249 I254 L255 | I190-E251 HydrophobicContact CG2-CB 3.84Å; Q193-E251 HydrophobicContact CB-CG 4.41Å; L194-E251 HydrophobicContact CD1-CB 4.32Å; L194-E251 HydrophobicContact CD2-CB 3.57Å; L194-E251 HydrophobicContact CD2-CG 4.25Å; L194-E251 HydrophobicContact CG-CB 3.64Å; L194-E251 HydrophobicContact CG-CG 4.29Å; R249-E251 VanDerWaalsContact CB-OE2 3.29Å; R249-E251 WeakPolarHBondContact CB-OE2 3.48Å; R249-E251 IonicContact NE-OE2 3.02Å; R249-E251 PolarHBondContact O-N 3.26Å; E251-I254 PolarHBondContact O-N 3.09Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.48Å |
| 252 | V | 85 | Confident | 82.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.2 | -39 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | L194 L214 C218 L225 R249 L250 L255 Y256 | L194-V252 HydrophobicContact CD2-CG2 3.96Å; L214-V252 HydrophobicContact CD2-CG2 4.45Å; C218-V252 HydrophobicContact CB-CG1 4.15Å; L225-V252 HydrophobicContact CD2-CG1 4.45Å; R249-V252 HydrophobicContact CB-CG2 4.35Å; R249-V252 PolarHBondContact O-N 3.39Å; R249-V252 VanDerWaalsContact O-N 3.08Å; L250-V252 VanDerWaalsContact C-N 3.33Å; L250-V252 PolarHBondContact O-N 2.94Å; V252-L255 WeakPolarHBondContact O-CB 3.18Å; V252-L255 PolarHBondContact O-N 3.08Å; V252-Y256 HydrophobicContact CG1-CD2 4.01Å; V252-Y256 HydrophobicContact CG1-CE2 4.19Å; V252-Y256 WeakPolarHBondContact O-CD2 2.93Å; V252-Y256 PolarHBondContact O-N 3.35Å; V252-Y256 VanDerWaalsContact O-N 3.16Å |
| 253 | F | 84 | Confident | 83 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 171.8 | 171 | -100.2 | 0 | 0 | 0 | 111.4 | L225 F232 R249 L250 L255 Y256 Q257 | L225-F253 HydrophobicContact CD2-CB 4.32Å; L225-F253 WeakPolarHBondContact O-CE2 3.48Å; F232-F253 HydrophobicContact CB-CD1 4.23Å; F232-F253 HydrophobicContact CB-CE1 4.38Å; F232-F253 HydrophobicContact CB-CG 4.41Å; F232-F253 HydrophobicContact CD1-CB 4.39Å; F232-F253 HydrophobicContact CD2-CB 3.89Å; F232-F253 HydrophobicContact CD2-CD1 4.27Å; F232-F253 AromaticContact CD2-CD2 3.5Å; F232-F253 HydrophobicContact CD2-CD2 3.5Å; F232-F253 HydrophobicContact CD2-CE2 4.08Å; F232-F253 AromaticContact CD2-CG 3.61Å; F232-F253 HydrophobicContact CD2-CG 3.61Å; F232-F253 HydrophobicContact CE1-CB 4.33Å; F232-F253 HydrophobicContact CE2-CB 3.8Å; F232-F253 AromaticContact CE2-CD2 3.83Å; F232-F253 HydrophobicContact CE2-CD2 3.83Å; F232-F253 AromaticContact CE2-CG 3.98Å; F232-F253 HydrophobicContact CE2-CG 3.98Å; F232-F253 HydrophobicContact CG-CB 4.2Å; F232-F253 HydrophobicContact CG-CD1 4.27Å; F232-F253 HydrophobicContact CG-CD2 4.29Å; F232-F253 AromaticContact CG-CG 3.99Å; F232-F253 HydrophobicContact CG-CG 3.99Å; F232-F253 HydrophobicContact CZ-CB 4.04Å; R249-F253 PolarHBondContact O-N 3.02Å; R249-F253 VanDerWaalsContact O-N 3.15Å; L250-F253 HydrophobicContact CD1-CD1 4.26Å; L250-F253 WeakPolarHBondContact O-CB 3.5Å; L250-F253 PolarHBondContact O-N 3Å; F253-L255 VanDerWaalsContact C-N 3.28Å; F253-L255 PolarHBondContact O-N 2.82Å; F253-Y256 PolarHBondContact O-N 3.26Å; F253-Q257 HydrophobicContact CD2-CB 4.43Å; F253-Q257 HydrophobicContact CE1-CB 4.26Å; F253-Q257 HydrophobicContact CE1-CG 4.29Å; F253-Q257 HydrophobicContact CE2-CB 4.08Å; F253-Q257 HydrophobicContact CE2-CG 4.19Å; F253-Q257 HydrophobicContact CZ-CB 3.99Å; F253-Q257 HydrophobicContact CZ-CG 3.79Å; F253-Q257 VanDerWaalsContact O-CB 3.22Å; F253-Q257 WeakPolarHBondContact O-CB 3.48Å; F253-Q257 PolarHBondContact O-N 3.24Å |
| 254 | I | 83.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -42.1 | 177.8 | -68.6 | 167.7 | 0 | 0 | 0 | 111.4 | I128 I190 L250 E251 Y258 L259 | I128-I254 HydrophobicContact CD1-CD1 4.35Å; I128-I254 HydrophobicContact CD1-CG1 4.28Å; I128-I254 HydrophobicContact CD1-CG2 3.63Å; I190-I254 HydrophobicContact CD1-CG2 4.08Å; I190-I254 HydrophobicContact CG1-CG2 4.34Å; L250-I254 HydrophobicContact CG-CD1 4.2Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 3.44Å; E251-I254 PolarHBondContact O-N 3.09Å; I254-Y258 HydrophobicContact CG2-CD2 4.4Å; I254-Y258 WeakPolarHBondContact O-CB 3.36Å; I254-Y258 PolarHBondContact O-N 3.37Å; I254-L259 HydrophobicContact CG2-CD1 4.42Å; I254-L259 PolarHBondContact O-N 3.47Å |
| 255 | L | 87 | Confident | 81.8 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -57.1 | -51.9 | 176.6 | -77.9 | 170.4 | 0 | 0 | 0 | 111.8 | L187 I190 L194 I215 E251 V252 F253 L259 I260 | L187-L255 HydrophobicContact CD1-CD2 3.51Å; I190-L255 HydrophobicContact CB-CD2 4.25Å; I190-L255 HydrophobicContact CB-CG 4.46Å; I190-L255 HydrophobicContact CG2-CD1 4.08Å; I190-L255 HydrophobicContact CG2-CD2 4.05Å; I190-L255 HydrophobicContact CG2-CG 3.73Å; L194-L255 HydrophobicContact CD1-CD1 3.75Å; I215-L255 HydrophobicContact CD1-CD1 4.37Å; I215-L255 HydrophobicContact CG1-CD1 4.35Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.48Å; V252-L255 WeakPolarHBondContact O-CB 3.18Å; V252-L255 PolarHBondContact O-N 3.08Å; F253-L255 VanDerWaalsContact C-N 3.28Å; F253-L255 PolarHBondContact O-N 2.82Å; L255-L259 HydrophobicContact CD2-CB 4.49Å; L255-L259 HydrophobicContact CD2-CD1 4.04Å; L255-L259 PolarHBondContact O-N 2.91Å; L255-L259 VanDerWaalsContact O-N 3.15Å; L255-I260 HydrophobicContact CB-CD1 4.08Å; L255-I260 HydrophobicContact CB-CG1 4.46Å; L255-I260 WeakPolarHBondContact O-CB 3.2Å; L255-I260 VanDerWaalsContact O-CG1 3.3Å; L255-I260 WeakPolarHBondContact O-CG1 3.11Å; L255-I260 PolarHBondContact O-N 2.64Å |
| 256 | Y | 84.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -76.1 | -36.3 | -175.6 | -84.1 | -76.3 | 0 | 0 | 0 | 113.5 | I215 C218 A219 K222 L225 Y226 V252 F253 I260 | I215-Y256 PolarHBondContact O-OH 2.83Å; C218-Y256 HydrophobicContact CB-CE2 3.96Å; A219-Y256 WeakPolarHBondContact CA-OH 3.38Å; A219-Y256 WeakPolarHBondContact CB-OH 3.44Å; A219-Y256 PolarHBondContact N-OH 2.99Å; A219-Y256 VanDerWaalsContact N-OH 3.14Å; K222-Y256 HydrophobicContact CB-CD1 4.11Å; K222-Y256 HydrophobicContact CB-CE1 4.23Å; L225-Y256 HydrophobicContact CD1-CD2 4.01Å; L225-Y256 HydrophobicContact CD1-CE2 4.5Å; L225-Y256 HydrophobicContact CD1-CG 4.37Å; Y226-Y256 WeakPolarHBondContact CE1-O 3.07Å; V252-Y256 HydrophobicContact CG1-CD2 4.01Å; V252-Y256 HydrophobicContact CG1-CE2 4.19Å; V252-Y256 WeakPolarHBondContact O-CD2 2.93Å; V252-Y256 PolarHBondContact O-N 3.35Å; V252-Y256 VanDerWaalsContact O-N 3.16Å; F253-Y256 PolarHBondContact O-N 3.26Å; Y256-I260 HydrophobicContact CE1-CD1 4.48Å |
| 257 | Q | 82.6 | Confident | 79.2 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -74.6 | -38.7 | -176.8 | -173.1 | 63.5 | 13.3 | 0 | 0 | 112.4 | F253 F625 | F253-Q257 HydrophobicContact CD2-CB 4.43Å; F253-Q257 HydrophobicContact CE1-CB 4.26Å; F253-Q257 HydrophobicContact CE1-CG 4.29Å; F253-Q257 HydrophobicContact CE2-CB 4.08Å; F253-Q257 HydrophobicContact CE2-CG 4.19Å; F253-Q257 HydrophobicContact CZ-CB 3.99Å; F253-Q257 HydrophobicContact CZ-CG 3.79Å; F253-Q257 VanDerWaalsContact O-CB 3.22Å; F253-Q257 WeakPolarHBondContact O-CB 3.48Å; F253-Q257 PolarHBondContact O-N 3.24Å; Q257-F625 PolarHBondContact O-N 2.91Å |
| 258 | Y | 85.8 | Confident | 77.3 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -115.1 | -52 | -171.4 | -63.3 | -81.2 | 0 | 0 | 0 | 113.6 | I128 I254 L298 I300 F623 F625 | I128-Y258 HydrophobicContact CB-CE1 4.47Å; I128-Y258 HydrophobicContact CB-CE2 4.37Å; I128-Y258 HydrophobicContact CD1-CD2 4.24Å; I128-Y258 HydrophobicContact CG2-CD1 3.84Å; I128-Y258 HydrophobicContact CG2-CD2 4.47Å; I128-Y258 HydrophobicContact CG2-CE1 3.7Å; I128-Y258 HydrophobicContact CG2-CE2 4.35Å; I128-Y258 HydrophobicContact CG2-CG 4.24Å; I254-Y258 HydrophobicContact CG2-CD2 4.4Å; I254-Y258 WeakPolarHBondContact O-CB 3.36Å; I254-Y258 PolarHBondContact O-N 3.37Å; Y258-L298 WeakPolarHBondContact O-CD1 3.33Å; Y258-I300 HydrophobicContact CD1-CD1 4.26Å; Y258-I300 HydrophobicContact CG-CD1 4.31Å; Y258-F623 WeakPolarHBondContact O-CD1 3.37Å; Y258-F625 HydrophobicContact CD1-CB 3.56Å; Y258-F625 AromaticContact CD1-CD1 3.76Å; Y258-F625 HydrophobicContact CD1-CD1 3.76Å; Y258-F625 HydrophobicContact CD1-CD2 4.05Å; Y258-F625 HydrophobicContact CD1-CE1 4.46Å; Y258-F625 AromaticContact CD1-CG 3.5Å; Y258-F625 HydrophobicContact CD1-CG 3.5Å; Y258-F625 HydrophobicContact CE1-CB 3.5Å; Y258-F625 HydrophobicContact CE1-CD2 4.26Å; Y258-F625 AromaticContact CE1-CG 3.86Å; Y258-F625 HydrophobicContact CE1-CG 3.86Å; Y258-F625 HydrophobicContact CG-CD1 4.43Å |
| 259 | L | 87.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -88.5 | -32.8 | -163 | -59 | 179 | 0 | 0 | 0 | 113.9 | I190 I254 L255 T297 L298 I300 | I190-L259 HydrophobicContact CG1-CD1 3.73Å; I254-L259 HydrophobicContact CG2-CD1 4.42Å; I254-L259 PolarHBondContact O-N 3.47Å; L255-L259 HydrophobicContact CD2-CB 4.49Å; L255-L259 HydrophobicContact CD2-CD1 4.04Å; L255-L259 PolarHBondContact O-N 2.91Å; L255-L259 VanDerWaalsContact O-N 3.15Å; L259-T297 WeakPolarHBondContact O-CA 3.38Å; L259-T297 PolarHBondContact O-OG1 3.47Å; L259-L298 HydrophobicContact CD2-CB 3.95Å; L259-I300 HydrophobicContact CD2-CD1 4.27Å; L259-I300 HydrophobicContact CD2-CG1 4.36Å |
| 260 | I | 86.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -98.5 | 127.6 | -177.3 | -58.7 | -179.4 | 0 | 0 | 0 | 109.4 | I215 L255 Y256 V265 M295 | I215-I260 HydrophobicContact CD1-CD1 4.44Å; I215-I260 HydrophobicContact CG2-CD1 3.94Å; L255-I260 HydrophobicContact CB-CD1 4.08Å; L255-I260 HydrophobicContact CB-CG1 4.46Å; L255-I260 WeakPolarHBondContact O-CB 3.2Å; L255-I260 VanDerWaalsContact O-CG1 3.3Å; L255-I260 WeakPolarHBondContact O-CG1 3.11Å; L255-I260 PolarHBondContact O-N 2.64Å; Y256-I260 HydrophobicContact CE1-CD1 4.48Å; I260-V265 HydrophobicContact CG2-CG2 4.1Å; I260-M295 HydrophobicContact CB-CE 4.04Å; I260-M295 HydrophobicContact CG1-CE 3.7Å; I260-M295 HydrophobicContact CG2-CE 3.93Å |
| 261 | P | 85.2 | Confident | 70.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | trans | -71.1 | 154.4 | 177.8 | 27.6 | -30.9 | 0 | 0 | 0 | 110.6 | N263 G264 M295 D296 K622 F623 | P261-N263 PolarHBondContact O-N 2.6Å; P261-G264 PolarHBondContact O-N 3.18Å; P261-M295 HydrophobicContact CG-CG 4.32Å; P261-D296 WeakPolarHBondContact CD-O 3.34Å; P261-D296 WeakPolarHBondContact CG-O 3.27Å; P261-K622 CarbonylContact C-O 3.52Å; P261-K622 VanDerWaalsContact CA-O 3.23Å; P261-K622 WeakPolarHBondContact CA-O 3.43Å; P261-K622 HydrophobicContact CB-CB 4.18Å; P261-K622 WeakPolarHBondContact CB-O 3.19Å; P261-F623 HydrophobicContact CB-CD1 4.41Å; P261-F623 HydrophobicContact CB-CE1 4.16Å; P261-F623 HydrophobicContact CB-CZ 4.47Å | ||
| 262 | V | 80.1 | Confident | 68.3 | Low | 44 Ų | 44 | 57.2 Ų | 57.2 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -36.9 | -175.1 | 177.7 | 0 | 0 | 0 | 0 | 113 | K222 K622 V624 | K222-V262 PolarHBondContact NZ-O 2.9Å; V262-K622 WeakPolarHBondContact CG2-O 3.44Å; V262-K622 PolarHBondContact N-O 2.88Å; V262-V624 HydrophobicContact CG2-CG2 3.46Å; V262-V624 VanDerWaalsContact CG2-CG2 3.46Å |
| 263 | N | 73.8 | Confident | 65.9 | Low | 131 Ų | 131 | 61.9 Ų | 61.9 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 4.4 | -178.7 | -66.3 | -25.3 | 0 | 0 | 0 | 113.9 | P261 V265 | P261-N263 PolarHBondContact O-N 2.6Å; N263-V265 VanDerWaalsContact C-N 3.28Å; N263-V265 PolarHBondContact O-N 2.95Å |
| 264 | G | 65 | Low | 63.7 | Low | 9 Ų | 9 | 67.5 Ų | 67.5 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -66.6 | -26.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P261 | P261-G264 PolarHBondContact O-N 3.18Š|
| 265 | V | 68.3 | Low | 61.6 | Low | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -137.7 | 111.9 | 179.6 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | F143 I215 Y216 A219 I260 N263 | F143-V265 HydrophobicContact CZ-CG2 4.45Å; I215-V265 HydrophobicContact CG2-CG2 4.15Å; Y216-V265 HydrophobicContact CD1-CG1 3.57Å; Y216-V265 HydrophobicContact CE1-CG1 3.66Å; A219-V265 HydrophobicContact CB-CB 4.37Å; A219-V265 HydrophobicContact CB-CG1 3.68Å; I260-V265 HydrophobicContact CG2-CG2 4.1Å; N263-V265 VanDerWaalsContact C-N 3.28Å; N263-V265 PolarHBondContact O-N 2.95Å |
| 266 | T | 57.5 | Low | 59.2 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | trans | -121.7 | 136.4 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 267 | F | 51.4 | Low | 56.6 | Low | 124 Ų | 124 | 87.4 Ų | 87.4 | 54% | 0.544 | 45% | 0.452 | S | S | . | . | trans | -89 | 135 | 172 | -150.5 | -92.6 | 0 | 0 | 0 | 108.7 | S269 | F267-S269 PolarHBondContact O-N 3.37Š| ||
| 268 | R | 43 | Very low | 54.1 | Low | 221 Ų | 221 | 92.7 Ų | 92.7 | 83% | 0.834 | 48% | 0.48 | S | S | * | . | trans | -73.3 | 98.2 | 168 | -163.2 | 179.6 | -174.8 | 179.2 | 1.2 | 106.6 | K270 | R268-K270 PolarHBondContact O-N 3.25Š| ||
| 269 | S | 40.5 | Very low | 51.6 | Low | 77 Ų | 77 | 99.6 Ų | 99.6 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | trans | -58.7 | 111.7 | 162.2 | 171.6 | 0 | 0 | 0 | 0 | 106.6 | F267 | F267-S269 PolarHBondContact O-N 3.37Š| ||
| 270 | K | 32.8 | Very low | 49 | Very low | 162 Ų | 162 | 104.4 Ų | 104.4 | 70% | 0.704 | 55% | 0.552 | S | S | * | * | trans | -66.3 | 133.7 | 146.9 | -78.7 | -172 | 173.9 | -171.3 | 0 | 105.3 | R268 V272 | R268-K270 PolarHBondContact O-N 3.25Å; K270-V272 PolarHBondContact O-N 3.35Å | ||
| 271 | N | 30.8 | Very low | 46.4 | Very low | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | trans | -37.1 | 132.7 | -176.5 | -68.6 | -22 | 0 | 0 | 0 | 112.3 | S273 E274 | N271-S273 PolarHBondContact O-N 3.15Å; N271-E274 PolarHBondContact O-N 3.05Å; N271-E274 VanDerWaalsContact O-N 3.13Å | ||
| 272 | V | 39.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 114.7 Ų | 114.7 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -5.1 | 177 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | K270 | K270-V272 PolarHBondContact O-N 3.35Š|
| 273 | S | 35.5 | Very low | 41.5 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8 | 173.2 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | N271 | N271-S273 PolarHBondContact O-N 3.15Š|
| 274 | E | 35.8 | Very low | 39.6 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -107.2 | 0.4 | 180 | -88.8 | -175 | 162 | 0 | 0 | 115.3 | N271 | N271-E274 PolarHBondContact O-N 3.05Å; N271-E274 VanDerWaalsContact O-N 3.13Å |
| 275 | I | 41 | Very low | 38 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -8.7 | -177.1 | -63.8 | 176.5 | 0 | 0 | 0 | 112.8 | ||
| 276 | K | 35.1 | Very low | 36.4 | Very low | 214 Ų | 214 | 137 Ų | 137 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -0.9 | 177.5 | -86 | -172.3 | 176.5 | -178 | 0 | 115.8 | ||
| 277 | S | 31.6 | Very low | 35.5 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -121.9 | 0.7 | -173.8 | 58.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 278 | N | 28.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | -127.7 | 68.3 | -179.3 | -73 | -39.6 | 0 | 0 | 0 | 112.6 | ||||
| 279 | L | 34.8 | Very low | 35.3 | Very low | 180 Ų | 180 | 131 Ų | 131 | 94% | 0.942 | 72% | 0.715 | S | S | * | * | trans | -99.9 | 47 | 164.3 | -148.1 | 86.4 | 0 | 0 | 0 | 110.6 | ||||
| 280 | S | 31.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -169 | 74.8 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 281 | S | 32.2 | Very low | 36.8 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | trans | 178.9 | 130.5 | 149.9 | 32.4 | 0 | 0 | 0 | 0 | 112 | S283 | S281-S283 VanDerWaalsContact C-N 3.31Å; S281-S283 PolarHBondContact O-N 3.46Å | ||
| 282 | P | 31.7 | Very low | 38.4 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 94% | 0.935 | 71% | 0.711 | S | S | * | * | trans | -84.4 | 75.6 | 173.9 | 35.1 | -30.1 | 0 | 0 | 0 | 108.6 | ||||
| 283 | S | 31.5 | Very low | 39.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -104.2 | 124.1 | 174.5 | 71.8 | 0 | 0 | 0 | 0 | 111 | S281 G285 | S281-S283 VanDerWaalsContact C-N 3.31Å; S281-S283 PolarHBondContact O-N 3.46Å; S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.19Å | ||
| 284 | R | 32.7 | Very low | 42 | Very low | 259 Ų | 259 | 132.4 Ų | 132.4 | 98% | 0.977 | 69% | 0.693 | S | S | * | * | trans | -58.2 | 79.1 | 174.6 | -82.5 | 172.7 | 162.5 | 160.3 | -5 | 111 | R286 | R284-R286 PolarHBondContact O-N 3.19Š| ||
| 285 | G | 32.2 | Very low | 44.4 | Very low | 59 Ų | 59 | 126.6 Ų | 126.6 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | trans | -77.4 | 104.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S283 N287 | S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.19Å; G285-N287 PolarHBondContact O-N 2.92Å | ||
| 286 | R | 33.9 | Very low | 46.8 | Very low | 243 Ų | 243 | 120.5 Ų | 120.5 | 92% | 0.917 | 64% | 0.635 | S | S | * | * | trans | -57 | 103.1 | 165.5 | -90.5 | 179.2 | -179.1 | 155.9 | 1 | 108.3 | R284 S288 | R284-R286 PolarHBondContact O-N 3.19Å; R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 PolarHBondContact O-N 3.44Å | ||
| 287 | N | 38.8 | Very low | 49.5 | Very low | 127 Ų | 127 | 110.3 Ų | 110.3 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | trans | -60.4 | 99.5 | 161.7 | -74.1 | -15.4 | 0 | 0 | 0 | 107.2 | G285 L289 | G285-N287 PolarHBondContact O-N 2.92Å; N287-L289 PolarHBondContact O-N 2.73Å | ||
| 288 | S | 40.2 | Very low | 52.3 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 74% | 0.741 | 56% | 0.563 | S | S | * | * | trans | -68.9 | 86.6 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 108 | R286 K290 | R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 PolarHBondContact O-N 3.44Å; S288-K290 PolarHBondContact O-N 2.95Å | ||
| 289 | L | 49.8 | Very low | 55.4 | Low | 80 Ų | 80 | 100.2 Ų | 100.2 | 42% | 0.419 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 116.1 | 173.1 | -140.9 | 75.1 | 0 | 0 | 0 | 108.1 | Y216 N287 R291 | Y216-L289 HydrophobicContact CD1-CD1 3.97Å; Y216-L289 HydrophobicContact CD1-CD2 4.27Å; Y216-L289 HydrophobicContact CD1-CG 4.19Å; Y216-L289 HydrophobicContact CD2-CD1 4.38Å; Y216-L289 HydrophobicContact CD2-CD2 3.62Å; Y216-L289 HydrophobicContact CD2-CG 4.4Å; Y216-L289 HydrophobicContact CE1-CD1 4.27Å; Y216-L289 HydrophobicContact CE1-CD2 4.01Å; Y216-L289 HydrophobicContact CE1-CG 3.99Å; Y216-L289 HydrophobicContact CE2-CD2 3.38Å; Y216-L289 HydrophobicContact CE2-CG 4.26Å; Y216-L289 HydrophobicContact CG-CD1 4.03Å; Y216-L289 HydrophobicContact CG-CD2 4.09Å; Y216-L289 HydrophobicContact CG-CG 4.4Å; N287-L289 PolarHBondContact O-N 2.73Å; L289-R291 PolarHBondContact O-N 3Å; L289-R291 VanDerWaalsContact O-N 3.08Å |
| 290 | K | 49.8 | Very low | 58 | Low | 186 Ų | 186 | 91.9 Ų | 91.9 | 81% | 0.809 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 116.7 | 172.3 | -157.9 | 178.5 | -176 | -175.2 | 0 | 106.2 | S288 V292 | S288-K290 PolarHBondContact O-N 2.95Å; K290-V292 PolarHBondContact O-N 3.48Å; K290-V292 VanDerWaalsContact O-N 3.12Å |
| 291 | R | 54.8 | Low | 60.8 | Low | 206 Ų | 206 | 87.1 Ų | 87.1 | 78% | 0.777 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 117.2 | 178 | -172.9 | 178.5 | -83.8 | 172.3 | -5.3 | 106.7 | L289 D293 | L289-R291 PolarHBondContact O-N 3Å; L289-R291 VanDerWaalsContact O-N 3.08Å; R291-D293 PolarHBondContact O-N 2.53Å |
| 292 | V | 65.3 | Low | 63.5 | Low | 32 Ų | 32 | 83.2 Ų | 83.2 | 19% | 0.194 | 43% | 0.426 | C | S | . | . | trans | -72.6 | 105.8 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 106.5 | P142 K290 S294 M295 | P142-V292 WeakPolarHBondContact CD-O 3.34Å; P142-V292 HydrophobicContact CG-CB 4.26Å; P142-V292 HydrophobicContact CG-CG1 4.09Å; K290-V292 PolarHBondContact O-N 3.48Å; K290-V292 VanDerWaalsContact O-N 3.12Å; V292-S294 VanDerWaalsContact C-N 3.29Å; V292-S294 WeakPolarHBondContact CG1-O 3.37Å; V292-S294 PolarHBondContact O-N 3.22Å; V292-M295 HydrophobicContact CG1-CB 4.2Å | ||
| 293 | D | 68.7 | Low | 66 | Low | 125 Ų | 125 | 76.5 Ų | 76.5 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | trans | -72.8 | -22.3 | -174.6 | -66.8 | -33.4 | 0 | 0 | 0 | 112.8 | S140 R291 | S140-D293 CarbonylContact C-O 3.52Å; R291-D293 PolarHBondContact O-N 2.53Å | ||
| 294 | S | 81.8 | Confident | 68.6 | Low | 61 Ų | 61 | 73.7 Ų | 73.7 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | trans | -159.4 | 152.8 | 165.9 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | L139 V292 | L139-S294 CarbonylContact O-C 3.5Å; L139-S294 WeakPolarHBondContact O-CA 3.18Å; L139-S294 WeakPolarHBondContact O-CB 3.28Å; V292-S294 VanDerWaalsContact C-N 3.29Å; V292-S294 WeakPolarHBondContact CG1-O 3.37Å; V292-S294 PolarHBondContact O-N 3.22Å | ||
| 295 | M | 87.1 | Confident | 71.2 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 133.7 | 178.4 | -177.8 | -177.1 | 142.7 | 0 | 0 | 109.7 | L139 P142 F143 I260 P261 V292 | L139-M295 WeakPolarHBondContact CB-O 3.32Å; L139-M295 PolarHBondContact N-O 3.02Å; L139-M295 PolarHBondContact O-N 3.36Å; P142-M295 HydrophobicContact CB-CB 3.77Å; P142-M295 HydrophobicContact CB-SD 3.98Å; P142-M295 HydrophobicContact CG-CB 3.83Å; F143-M295 HydrophobicContact CE2-SD 4.48Å; F143-M295 HydrophobicContact CZ-SD 4.13Å; I260-M295 HydrophobicContact CB-CE 4.04Å; I260-M295 HydrophobicContact CG1-CE 3.7Å; I260-M295 HydrophobicContact CG2-CE 3.93Å; P261-M295 HydrophobicContact CG-CG 4.32Å; V292-M295 HydrophobicContact CG1-CB 4.2Å |
| 296 | D | 90.5 | Very high | 73.5 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 139.3 | 172.1 | -59.1 | -19.3 | 0 | 0 | 0 | 108.1 | L137 R138 P261 L335 K622 F623 | L137-D296 CarbonylContact O-C 3.52Å; L137-D296 WeakPolarHBondContact O-CA 2.97Å; R138-D296 IonicContact CZ-OD1 2.63Å; R138-D296 IonicContact NE-OD1 3.49Å; R138-D296 PolarHBondContact NE-OD1 3.39Å; R138-D296 IonicContact NH2-OD1 3.63Å; R138-D296 PolarHBondContact NH2-OD1 2.92Å; R138-D296 VanDerWaalsContact NH2-OD1 3.12Å; R138-D296 IonicContact NH2-OD2 3.12Å; R138-D296 PolarHBondContact NH2-OD2 3.44Å; R138-D296 VanDerWaalsContact NH2-OD2 3.17Å; P261-D296 WeakPolarHBondContact CD-O 3.34Å; P261-D296 WeakPolarHBondContact CG-O 3.27Å; D296-L335 HydrophobicContact CB-CD1 4.28Å; D296-L335 WeakPolarHBondContact OD1-CD1 3.49Å; D296-K622 IonicContact OD2-NZ 3.76Å; D296-K622 PolarHBondContact OD2-NZ 3.28Å; D296-F623 HydrophobicContact CB-CZ 4.42Å |
| 297 | T | 91.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 162.7 | -180 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | L137 L139 L259 | L137-T297 HydrophobicContact CB-CG2 4.16Å; L137-T297 PolarHBondContact N-O 2.95Å; L137-T297 PolarHBondContact O-N 3.5Å; L139-T297 HydrophobicContact CD1-CG2 3.79Å; L139-T297 HydrophobicContact CD2-CG2 3.79Å; L139-T297 HydrophobicContact CG-CG2 3.72Å; L259-T297 WeakPolarHBondContact O-CA 3.38Å; L259-T297 PolarHBondContact O-OG1 3.47Å |
| 298 | L | 91.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 155.8 | 174.6 | -57.6 | -179 | 0 | 0 | 0 | 113.2 | F134 I135 V136 Y258 L259 I300 W615 F623 F625 | F134-L298 HydrophobicContact CD2-CD2 3.99Å; F134-L298 HydrophobicContact CE2-CD2 4.46Å; I135-L298 CarbonylContact O-C 3.48Å; I135-L298 VanDerWaalsContact O-CA 3.31Å; I135-L298 WeakPolarHBondContact O-CA 3.48Å; V136-L298 HydrophobicContact CB-CD2 3.89Å; V136-L298 HydrophobicContact CG1-CD2 3.83Å; V136-L298 HydrophobicContact CG2-CD2 3.38Å; Y258-L298 WeakPolarHBondContact O-CD1 3.33Å; L259-L298 HydrophobicContact CD2-CB 3.95Å; L298-I300 HydrophobicContact CB-CG1 4.41Å; L298-W615 HydrophobicContact CD2-CZ3 4.3Å; L298-F623 HydrophobicContact CD1-CD1 4.01Å; L298-F623 HydrophobicContact CD1-CE1 4.06Å; L298-F623 HydrophobicContact CD1-CG 4.36Å; L298-F623 HydrophobicContact CD1-CZ 4.44Å; L298-F623 HydrophobicContact CD2-CE1 4.28Å; L298-F623 HydrophobicContact CD2-CE2 4.22Å; L298-F623 HydrophobicContact CD2-CZ 3.93Å; L298-F623 HydrophobicContact CG-CD1 4.22Å; L298-F623 HydrophobicContact CG-CE1 3.75Å; L298-F623 HydrophobicContact CG-CZ 3.92Å; L298-F625 HydrophobicContact CD1-CE1 3.3Å; L298-F625 HydrophobicContact CD1-CZ 3.38Å |
| 299 | I | 92.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.1 | 156.1 | -57.9 | -179.7 | 0 | 0 | 0 | 106.5 | F134 I135 L137 L151 L154 L158 W185 | F134-I299 CarbonylContact C-O 3.58Å; F134-I299 WeakPolarHBondContact CA-O 3.47Å; F134-I299 WeakPolarHBondContact CB-O 3.47Å; I135-I299 HydrophobicContact CB-CB 4.38Å; I135-I299 PolarHBondContact N-O 3.47Å; I135-I299 PolarHBondContact O-N 2.93Å; L137-I299 HydrophobicContact CD1-CD1 3.6Å; L137-I299 HydrophobicContact CD1-CG1 4.01Å; L151-I299 HydrophobicContact CD1-CD1 3.79Å; L151-I299 HydrophobicContact CD1-CG1 4.13Å; L154-I299 HydrophobicContact CD2-CD1 3.9Å; L154-I299 HydrophobicContact CG-CD1 4.38Å; L158-I299 HydrophobicContact CD1-CG2 4.1Å; W185-I299 WeakPolarHBondContact O-CA 3.47Å |
| 300 | I | 90.6 | Very high | 80.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.5 | 178.2 | -55.1 | 175.4 | 0 | 0 | 0 | 108.5 | I128 N132 F134 S184 W185 Y258 L259 L298 | I128-I300 HydrophobicContact CD1-CD1 4.46Å; I128-I300 HydrophobicContact CG2-CD1 3.79Å; I128-I300 HydrophobicContact CG2-CG2 4.28Å; N132-I300 HydrophobicContact CB-CG2 3.61Å; F134-I300 HydrophobicContact CB-CB 4.5Å; F134-I300 HydrophobicContact CB-CG1 4.08Å; S184-I300 CarbonylContact C-O 3.04Å; S184-I300 WeakPolarHBondContact CA-O 3.4Å; S184-I300 VanDerWaalsContact CB-O 3.22Å; S184-I300 WeakPolarHBondContact CB-O 3.37Å; W185-I300 HydrophobicContact CB-CB 4.34Å; W185-I300 HydrophobicContact CE3-CB 3.91Å; W185-I300 HydrophobicContact CE3-CG2 3.68Å; W185-I300 HydrophobicContact CZ3-CG2 4.01Å; W185-I300 PolarHBondContact N-O 3.47Å; W185-I300 PolarHBondContact O-N 3.1Å; Y258-I300 HydrophobicContact CD1-CD1 4.26Å; Y258-I300 HydrophobicContact CG-CD1 4.31Å; L259-I300 HydrophobicContact CD2-CD1 4.27Å; L259-I300 HydrophobicContact CD2-CG1 4.36Å; L298-I300 HydrophobicContact CB-CG1 4.41Å |
| 301 | L | 89.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 145.4 | -179.9 | -63.2 | 168.7 | 0 | 0 | 0 | 110.2 | N132 A133 L158 L167 I303 F339 | N132-L301 PolarHBondContact ND2-O 3.42Å; N132-L301 VanDerWaalsContact ND2-O 3.13Å; A133-L301 HydrophobicContact CB-CB 4.29Å; A133-L301 HydrophobicContact CB-CD1 4.16Å; A133-L301 WeakPolarHBondContact O-CB 3.45Å; A133-L301 PolarHBondContact O-N 3.35Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.37Å; L167-L301 HydrophobicContact CD2-CD1 4.34Å; L301-I303 PolarHBondContact O-N 2.89Å; L301-F339 HydrophobicContact CD1-CD1 4.45Å; L301-F339 HydrophobicContact CD1-CE1 3.74Å; L301-F339 HydrophobicContact CD1-CZ 4.22Å |
| 302 | P | 87.7 | Confident | 81.6 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 46.5 | 173.2 | 37 | -38 | 0 | 0 | 0 | 110.8 | Y159 E174 C182 W185 | Y159-P302 WeakPolarHBondContact OH-CD 3.39Å; Y159-P302 WeakPolarHBondContact OH-CG 3.5Å; E174-P302 HydrophobicContact CB-CB 4.26Å; E174-P302 PolarHBondContact N-O 3.02Å; C182-P302 HydrophobicContact CB-CB 3.82Å; C182-P302 HydrophobicContact CB-CG 4.31Å; C182-P302 WeakPolarHBondContact O-CG 3.37Å; W185-P302 HydrophobicContact CH2-CB 4.11Å; W185-P302 HydrophobicContact CZ3-CB 4.11Å |
| 303 | I | 86.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.5 | 179.7 | -54.6 | 174.8 | 0 | 0 | 0 | 106.3 | A133 L167 I169 F172 L301 L308 | A133-I303 WeakPolarHBondContact CB-O 3.13Å; A133-I303 PolarHBondContact N-O 3.29Å; L167-I303 HydrophobicContact CB-CD1 4.49Å; I169-I303 HydrophobicContact CG1-CD1 4.08Å; F172-I303 HydrophobicContact CB-CG2 4.33Å; L301-I303 PolarHBondContact O-N 2.89Å; I303-L308 HydrophobicContact CB-CD1 4.15Å; I303-L308 HydrophobicContact CG2-CD1 3.6Å; I303-L308 HydrophobicContact CG2-CG 3.99Å |
| 304 | T | 84.9 | Confident | 82.8 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 23% | 0.233 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 142.7 | 177 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | D131 Q306 V307 | D131-T304 CarbonylContact O-C 3.5Å; D131-T304 WeakPolarHBondContact O-CA 3.45Å; T304-Q306 PolarHBondContact O-N 3.24Å; T304-V307 PolarHBondContact O-N 3.1Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.16Å |
| 305 | K | 86.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.5 | -37.2 | 178.7 | -69.1 | 173.2 | -158.7 | 178.2 | 0 | 112.3 | V130 D131 N132 A133 V307 L308 S309 D338 | V130-K305 VanDerWaalsContact O-CE 3.3Å; V130-K305 WeakPolarHBondContact O-CE 3.45Å; V130-K305 PolarHBondContact O-NZ 2.78Å; D131-K305 VanDerWaalsContact O-CG 3.28Å; D131-K305 WeakPolarHBondContact O-CG 3.29Å; D131-K305 PolarHBondContact O-N 3.21Å; N132-K305 WeakPolarHBondContact O-CE 3.36Å; A133-K305 HydrophobicContact CB-CG 4.31Å; K305-V307 VanDerWaalsContact C-N 3.25Å; K305-V307 PolarHBondContact O-N 3.44Å; K305-L308 PolarHBondContact O-N 3.33Å; K305-S309 PolarHBondContact O-N 3.5Å; K305-D338 WeakPolarHBondContact CE-OD2 3.08Å; K305-D338 IonicContact NZ-OD2 3.74Å; K305-D338 PolarHBondContact NZ-OD2 2.97Å |
| 306 | Q | 81.5 | Confident | 82.6 | Confident | 119 Ų | 119 | 36.9 Ų | 36.9 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -58 | -39.4 | -179.1 | -168.1 | -179.3 | 11.3 | 0 | 0 | 111.8 | T304 S309 | T304-Q306 PolarHBondContact O-N 3.24Å; Q306-S309 PolarHBondContact O-N 3.36Å; Q306-S309 PolarHBondContact O-OG 2.8Å |
| 307 | V | 80.6 | Confident | 82.4 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.4 | -39.7 | -180 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | F172 T304 K305 S309 | F172-V307 HydrophobicContact CB-CG1 3.69Å; F172-V307 HydrophobicContact CD1-CG1 3.36Å; F172-V307 HydrophobicContact CD2-CG1 3.43Å; F172-V307 VanDerWaalsContact CD2-CG1 3.43Å; F172-V307 HydrophobicContact CE1-CG1 3.74Å; F172-V307 HydrophobicContact CE2-CG1 3.8Å; F172-V307 HydrophobicContact CG-CG1 3.2Å; F172-V307 HydrophobicContact CZ-CG1 3.95Å; T304-V307 PolarHBondContact O-N 3.1Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.16Å; K305-V307 VanDerWaalsContact C-N 3.25Å; K305-V307 PolarHBondContact O-N 3.44Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.46Å |
| 308 | L | 79.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -30.7 | 176.8 | -79.8 | 149 | 0 | 0 | 0 | 112.9 | A133 L167 I303 K305 G310 N311 L317 F339 I341 | A133-L308 HydrophobicContact CB-CD1 3.52Å; L167-L308 HydrophobicContact CD2-CD2 3.74Å; I303-L308 HydrophobicContact CB-CD1 4.15Å; I303-L308 HydrophobicContact CG2-CD1 3.6Å; I303-L308 HydrophobicContact CG2-CG 3.99Å; K305-L308 PolarHBondContact O-N 3.33Å; L308-G310 PolarHBondContact O-N 3.24Å; L308-N311 WeakPolarHBondContact O-CB 3.31Å; L308-N311 PolarHBondContact O-N 2.99Å; L308-N311 VanDerWaalsContact O-N 3.13Å; L308-L317 HydrophobicContact CD2-CD2 4.11Å; L308-F339 WeakPolarHBondContact CB-O 3.26Å; L308-F339 HydrophobicContact CD1-CB 4.43Å; L308-I341 HydrophobicContact CB-CG2 4.42Å; L308-I341 WeakPolarHBondContact O-CG2 3.31Å |
| 309 | S | 74.4 | Confident | 81.9 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.2 | -34.2 | -179.3 | 76 | 0 | 0 | 0 | 0 | 113.3 | K305 Q306 V307 N311 G340 | K305-S309 PolarHBondContact O-N 3.5Å; Q306-S309 PolarHBondContact O-N 3.36Å; Q306-S309 PolarHBondContact O-OG 2.8Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.46Å; S309-N311 VanDerWaalsContact C-N 3.27Å; S309-N311 PolarHBondContact O-N 3.02Å; S309-G340 VanDerWaalsContact CB-O 3.23Å; S309-G340 WeakPolarHBondContact CB-O 3.12Å |
| 310 | G | 69.4 | Low | 81.7 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L308 H312 | L308-G310 PolarHBondContact O-N 3.24Å; G310-H312 PolarHBondContact O-N 3.03Å |
| 311 | N | 67.8 | Low | 81.6 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | trans | -77.2 | 125.3 | -178.1 | -163.9 | -1.2 | 0 | 0 | 0 | 110.9 | H166 L308 S309 D313 | H166-N311 PolarHBondContact O-ND2 3.47Å; L308-N311 WeakPolarHBondContact O-CB 3.31Å; L308-N311 PolarHBondContact O-N 2.99Å; L308-N311 VanDerWaalsContact O-N 3.13Å; S309-N311 VanDerWaalsContact C-N 3.27Å; S309-N311 PolarHBondContact O-N 3.02Å; N311-D313 PolarHBondContact O-N 3.31Å; N311-D313 PolarHBondContact OD1-N 2.82Å | ||
| 312 | H | 65.3 | Low | 81.6 | Confident | 184 Ų | 184 | 45 Ų | 45 | 85% | 0.852 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.7 | -179.6 | -68.5 | -65.9 | 0 | 0 | 0 | 113.2 | G310 | G310-H312 PolarHBondContact O-N 3.03Š|
| 313 | D | 78.1 | Confident | 81.7 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 36.3 | -174.8 | -74.9 | -10.5 | 0 | 0 | 0 | 113.4 | N311 L315 S316 L317 | N311-D313 PolarHBondContact O-N 3.31Å; N311-D313 PolarHBondContact OD1-N 2.82Å; D313-L315 VanDerWaalsContact C-N 3.28Å; D313-L315 PolarHBondContact O-N 2.92Å; D313-S316 PolarHBondContact O-N 2.98Å; D313-S316 PolarHBondContact O-OG 2.89Å; D313-L317 PolarHBondContact O-N 3.33Å |
| 314 | S | 80.5 | Confident | 81.7 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -30.2 | -175.9 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | L318 S344 | S314-L318 PolarHBondContact O-N 3.43Å; S314-S344 PolarHBondContact OG-OG 3.33Å |
| 315 | L | 82.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.3 | -40.8 | -178.2 | -148.6 | 134.1 | 0 | 0 | 0 | 112.2 | D313 L317 L318 D319 M349 | D313-L315 VanDerWaalsContact C-N 3.28Å; D313-L315 PolarHBondContact O-N 2.92Å; L315-L317 VanDerWaalsContact C-N 3.31Å; L315-L317 PolarHBondContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 2.93Å; L315-D319 PolarHBondContact O-N 2.76Å; L315-M349 HydrophobicContact CD1-CE 3.72Å; L315-M349 HydrophobicContact CD1-SD 4.27Å; L315-M349 HydrophobicContact CG-CE 4.24Å |
| 316 | S | 83.3 | Confident | 82 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -32.3 | 177 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | H166 D313 S320 | H166-S316 PolarHBondContact CD2-OG 3.33Å; H166-S316 PolarHBondContact NE2-OG 3.4Å; D313-S316 PolarHBondContact O-N 2.98Å; D313-S316 PolarHBondContact O-OG 2.89Å; S316-S320 VanDerWaalsContact O-CB 3.25Å; S316-S320 WeakPolarHBondContact O-CB 3.29Å; S316-S320 PolarHBondContact O-N 3.29Å; S316-S320 PolarHBondContact O-OG 2.85Å |
| 317 | L | 85.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 169.3 | 174 | 60.4 | 0 | 0 | 0 | 110.7 | L163 H166 L167 L308 D313 L315 S320 L321 F339 | L163-L317 HydrophobicContact CD1-CD1 3.8Å; H166-L317 HydrophobicContact CB-CB 4Å; H166-L317 HydrophobicContact CB-CD1 3.75Å; H166-L317 HydrophobicContact CB-CG 4.45Å; L167-L317 HydrophobicContact CD2-CD1 3.67Å; L167-L317 HydrophobicContact CD2-CD2 3.94Å; L167-L317 HydrophobicContact CD2-CG 4.44Å; L167-L317 HydrophobicContact CG-CD1 3.66Å; L308-L317 HydrophobicContact CD2-CD2 4.11Å; D313-L317 PolarHBondContact O-N 3.33Å; L315-L317 VanDerWaalsContact C-N 3.31Å; L315-L317 PolarHBondContact O-N 3.09Å; L317-S320 PolarHBondContact O-N 3.13Å; L317-L321 WeakPolarHBondContact O-CB 3.32Å; L317-L321 PolarHBondContact O-N 2.71Å; L317-F339 HydrophobicContact CD2-CD2 3.75Å; L317-F339 HydrophobicContact CD2-CE2 4Å; L317-F339 HydrophobicContact CG-CD2 4.36Å; L317-F339 HydrophobicContact CG-CE2 4.19Å |
| 318 | L | 86.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | -178.9 | -161.6 | 64.9 | 0 | 0 | 0 | 111.8 | S314 L315 S320 L321 M322 V337 L611 L612 | S314-L318 PolarHBondContact O-N 3.43Å; L315-L318 PolarHBondContact O-N 2.93Å; L318-S320 PolarHBondContact O-N 2.81Å; L318-L321 PolarHBondContact O-N 3.2Å; L318-M322 HydrophobicContact CG-CE 4.36Å; L318-M322 WeakPolarHBondContact O-CB 3.47Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.74Å; L318-V337 HydrophobicContact CD1-CG2 4.47Å; L318-L611 HydrophobicContact CD1-CD2 3.48Å; L318-L611 VanDerWaalsContact CD1-CD2 3.48Å; L318-L611 HydrophobicContact CD2-CD2 4.38Å; L318-L611 HydrophobicContact CG-CD2 4.03Å; L318-L612 HydrophobicContact CD1-CD2 4.4Å |
| 319 | D | 87.2 | Confident | 82.7 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 178.6 | -81.2 | -18.3 | 0 | 0 | 0 | 112.4 | L315 L321 M322 K323 | L315-D319 PolarHBondContact O-N 2.76Å; D319-L321 VanDerWaalsContact C-N 3.33Å; D319-L321 PolarHBondContact O-N 3.05Å; D319-M322 PolarHBondContact O-N 3.33Å; D319-M322 WeakPolarHBondContact OD1-CE 3.45Å; D319-K323 WeakPolarHBondContact O-CB 3.29Å; D319-K323 PolarHBondContact O-N 3.34Å |
| 320 | S | 87.3 | Confident | 83.1 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | H166 S316 L317 L318 K323 E324 | H166-S320 PolarHBondContact CE1-OG 2.68Å; H166-S320 PolarHBondContact ND1-OG 2.93Å; S316-S320 VanDerWaalsContact O-CB 3.25Å; S316-S320 WeakPolarHBondContact O-CB 3.29Å; S316-S320 PolarHBondContact O-N 3.29Å; S316-S320 PolarHBondContact O-OG 2.85Å; L317-S320 PolarHBondContact O-N 3.13Å; L318-S320 PolarHBondContact O-N 2.81Å; S320-K323 PolarHBondContact O-N 3.31Å; S320-E324 PolarHBondContact O-N 3.46Å; S320-E324 VanDerWaalsContact O-N 3.11Å |
| 321 | L | 89 | Confident | 83.8 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 178.6 | -179.5 | 65 | 0 | 0 | 0 | 111.9 | I135 L163 L317 L318 D319 K323 E324 C325 L334 V337 F339 | I135-L321 HydrophobicContact CD1-CD1 3.95Å; I135-L321 HydrophobicContact CD1-CD2 4.1Å; I135-L321 HydrophobicContact CG1-CD2 4.29Å; I135-L321 HydrophobicContact CG2-CD2 4.5Å; L163-L321 HydrophobicContact CD1-CB 4.1Å; L163-L321 HydrophobicContact CD2-CD1 4.04Å; L317-L321 WeakPolarHBondContact O-CB 3.32Å; L317-L321 PolarHBondContact O-N 2.71Å; L318-L321 PolarHBondContact O-N 3.2Å; D319-L321 VanDerWaalsContact C-N 3.33Å; D319-L321 PolarHBondContact O-N 3.05Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.24Å; L321-E324 PolarHBondContact O-N 3.07Å; L321-C325 PolarHBondContact O-N 3.05Å; L321-C325 PolarHBondContact O-SG 3.47Å; L321-C325 VanDerWaalsContact O-SG 3.33Å; L321-L334 HydrophobicContact CG-CD2 4.43Å; L321-V337 HydrophobicContact CD2-CG1 4.44Å; L321-V337 HydrophobicContact CD2-CG2 3.63Å; L321-F339 HydrophobicContact CD2-CE2 4.07Å; L321-F339 HydrophobicContact CD2-CZ 3.94Å |
| 322 | M | 89.5 | Confident | 84.8 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 36% | 0.36 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.8 | -75.9 | -167.2 | -65.4 | 0 | 0 | 111.2 | L318 D319 C325 K326 L334 L611 | L318-M322 HydrophobicContact CG-CE 4.36Å; L318-M322 WeakPolarHBondContact O-CB 3.47Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.74Å; D319-M322 PolarHBondContact O-N 3.33Å; D319-M322 WeakPolarHBondContact OD1-CE 3.45Å; M322-C325 PolarHBondContact O-N 3.45Å; M322-K326 VanDerWaalsContact O-CB 3.28Å; M322-K326 WeakPolarHBondContact O-CB 3.39Å; M322-K326 PolarHBondContact O-N 3.4Å; M322-L334 HydrophobicContact CG-CD2 3.98Å; M322-L611 HydrophobicContact CG-CD2 4.12Å; M322-L611 HydrophobicContact SD-CD2 4.33Å |
| 323 | K | 89.5 | Confident | 86 | Confident | 133 Ų | 133 | 53.6 Ų | 53.6 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 178.6 | -171.3 | 174.8 | -176.8 | 174.7 | 0 | 112.2 | D319 S320 L321 R327 | D319-K323 WeakPolarHBondContact O-CB 3.29Å; D319-K323 PolarHBondContact O-N 3.34Å; S320-K323 PolarHBondContact O-N 3.31Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.24Å; K323-R327 WeakPolarHBondContact O-CG 3.33Å; K323-R327 PolarHBondContact O-N 3.41Å |
| 324 | E | 87 | Confident | 86.7 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 177.2 | -69.2 | -58.9 | 162.7 | 0 | 0 | 112.2 | S320 L321 K326 R327 | S320-E324 PolarHBondContact O-N 3.46Å; S320-E324 VanDerWaalsContact O-N 3.11Å; L321-E324 PolarHBondContact O-N 3.07Å; E324-K326 VanDerWaalsContact C-N 3.31Å; E324-K326 PolarHBondContact O-N 3.28Å; E324-R327 WeakPolarHBondContact O-CB 3.25Å; E324-R327 PolarHBondContact O-N 2.96Å; E324-R327 IonicContact OE1-CZ 3.51Å; E324-R327 IonicContact OE1-NH1 3.44Å; E324-R327 PolarHBondContact OE1-NH1 2.89Å; E324-R327 IonicContact OE2-CZ 2.86Å; E324-R327 IonicContact OE2-NH1 3.18Å; E324-R327 PolarHBondContact OE2-NH1 3.17Å |
| 325 | C | 87 | Confident | 87.1 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 177.4 | -68 | 0 | 0 | 0 | 0 | 111.8 | L321 M322 R327 M328 S329 L334 | L321-C325 PolarHBondContact O-N 3.05Å; L321-C325 PolarHBondContact O-SG 3.47Å; L321-C325 VanDerWaalsContact O-SG 3.33Å; M322-C325 PolarHBondContact O-N 3.45Å; C325-R327 VanDerWaalsContact C-N 3.27Å; C325-R327 PolarHBondContact O-N 3.35Å; C325-M328 PolarHBondContact O-N 2.85Å; C325-S329 PolarHBondContact O-N 3.49Å; C325-L334 HydrophobicContact CB-CB 3.82Å; C325-L334 HydrophobicContact CB-CD2 4.31Å |
| 326 | K | 90.2 | Very high | 87.6 | Confident | 176 Ų | 176 | 48.5 Ų | 48.5 | 77% | 0.765 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.1 | -35.3 | 176.6 | -170.3 | 172.7 | -177.6 | 176.3 | 0 | 112.4 | M322 E324 M328 S329 | M322-K326 VanDerWaalsContact O-CB 3.28Å; M322-K326 WeakPolarHBondContact O-CB 3.39Å; M322-K326 PolarHBondContact O-N 3.4Å; E324-K326 VanDerWaalsContact C-N 3.31Å; E324-K326 PolarHBondContact O-N 3.28Å; K326-M328 PolarHBondContact O-N 3Å; K326-S329 PolarHBondContact O-N 3.23Å |
| 327 | R | 88.9 | Confident | 88 | Confident | 153 Ų | 153 | 46.7 Ų | 46.7 | 58% | 0.577 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67 | -19.4 | 174.7 | -68.6 | 174 | -179.3 | 159.9 | -0.1 | 113.6 | K323 E324 C325 | K323-R327 WeakPolarHBondContact O-CG 3.33Å; K323-R327 PolarHBondContact O-N 3.41Å; E324-R327 WeakPolarHBondContact O-CB 3.25Å; E324-R327 PolarHBondContact O-N 2.96Å; E324-R327 IonicContact OE1-CZ 3.51Å; E324-R327 IonicContact OE1-NH1 3.44Å; E324-R327 PolarHBondContact OE1-NH1 2.89Å; E324-R327 IonicContact OE2-CZ 2.86Å; E324-R327 IonicContact OE2-NH1 3.18Å; E324-R327 PolarHBondContact OE2-NH1 3.17Å; C325-R327 VanDerWaalsContact C-N 3.27Å; C325-R327 PolarHBondContact O-N 3.35Å |
| 328 | M | 85.7 | Confident | 88.2 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -101.3 | -6.2 | -177 | -57.1 | -170.6 | -164.3 | 0 | 0 | 113.3 | K153 L154 C325 K326 T331 L332 | K153-M328 HydrophobicContact CG-CE 4.47Å; L154-M328 HydrophobicContact CB-CE 3.99Å; L154-M328 HydrophobicContact CB-SD 3.85Å; L154-M328 HydrophobicContact CD1-CE 3.97Å; L154-M328 HydrophobicContact CD1-SD 4.31Å; C325-M328 PolarHBondContact O-N 2.85Å; K326-M328 PolarHBondContact O-N 3Å; M328-T331 PolarHBondContact O-N 3.16Å; M328-T331 PolarHBondContact O-OG1 2.81Å; M328-L332 HydrophobicContact CB-CB 4.21Å; M328-L332 HydrophobicContact CB-CD1 4.26Å; M328-L332 PolarHBondContact O-N 3.37Å; M328-L332 HydrophobicContact SD-CD1 4Å |
| 329 | S | 82.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 146.1 | 172.8 | -165.7 | 0 | 0 | 0 | 0 | 111.3 | C325 K326 N333 | C325-S329 PolarHBondContact O-N 3.49Å; K326-S329 PolarHBondContact O-N 3.23Å; S329-N333 PolarHBondContact OG-OD1 3.08Å |
| 330 | P | 82 | Confident | 88.2 | Confident | 94 Ų | 94 | 45.4 Ų | 45.4 | 61% | 0.61 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -89.1 | 2.6 | 7.9 | 36 | -36.5 | 0 | 0 | 0 | 115.1 | S140 | S140-P330 WeakPolarHBondContact CB-O 3.23Å; S140-P330 PolarHBondContact OG-O 3.13Å |
| 331 | T | 85.3 | Confident | 88.2 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -35.3 | -175.7 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | S140 K150 M328 | S140-T331 PolarHBondContact N-O 2.89Å; K150-T331 HydrophobicContact CD-CG2 4.32Å; K150-T331 WeakPolarHBondContact CD-OG1 3.44Å; K150-T331 WeakPolarHBondContact CE-OG1 3.31Å; K150-T331 PolarHBondContact NZ-OG1 2.89Å; M328-T331 PolarHBondContact O-N 3.16Å; M328-T331 PolarHBondContact O-OG1 2.81Å |
| 332 | L | 89 | Confident | 88.1 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.2 | 175 | -62.4 | 179 | 0 | 0 | 0 | 107.4 | L139 T147 K150 L151 M328 | L139-L332 HydrophobicContact CD2-CD2 3.2Å; T147-L332 HydrophobicContact CG2-CD2 4.17Å; K150-L332 HydrophobicContact CB-CD1 3.79Å; K150-L332 HydrophobicContact CB-CG 4.31Å; L151-L332 HydrophobicContact CD1-CD2 4.41Å; M328-L332 HydrophobicContact CB-CB 4.21Å; M328-L332 HydrophobicContact CB-CD1 4.26Å; M328-L332 PolarHBondContact O-N 3.37Å; M328-L332 HydrophobicContact SD-CD1 4Å |
| 333 | N | 90.3 | Very high | 87.8 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.6 | 174.6 | -67.9 | -27.6 | 0 | 0 | 0 | 109.1 | L137 R138 S329 L335 | L137-N333 CarbonylContact C-O 3.57Å; L137-N333 WeakPolarHBondContact CA-O 3.15Å; R138-N333 HydrophobicContact CB-CB 4.29Å; R138-N333 PolarHBondContact N-O 2.91Å; R138-N333 PolarHBondContact O-N 3.24Å; S329-N333 PolarHBondContact OG-OD1 3.08Å; N333-L335 PolarHBondContact O-N 3.27Å |
| 334 | L | 92 | Very high | 87.5 | Confident | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 124.9 | 176.2 | -178 | 64.7 | 0 | 0 | 0 | 109.7 | I135 L137 L321 M322 C325 V337 L611 | I135-L334 HydrophobicContact CG2-CD1 3.49Å; I135-L334 VanDerWaalsContact CG2-CD1 3.49Å; L137-L334 HydrophobicContact CD2-CB 4.34Å; L137-L334 HydrophobicContact CD2-CD1 3.79Å; L321-L334 HydrophobicContact CG-CD2 4.43Å; M322-L334 HydrophobicContact CG-CD2 3.98Å; C325-L334 HydrophobicContact CB-CB 3.82Å; C325-L334 HydrophobicContact CB-CD2 4.31Å; L334-V337 HydrophobicContact CD1-CG2 3.93Å; L334-L611 HydrophobicContact CD1-CD1 4.35Å; L334-L611 HydrophobicContact CD2-CD1 3.88Å; L334-L611 HydrophobicContact CD2-CD2 3.82Å; L334-L611 HydrophobicContact CG-CD1 3.65Å; L334-L611 HydrophobicContact CG-CD2 4.47Å |
| 335 | L | 89.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -51.2 | -179.1 | -71.2 | -177.2 | 0 | 0 | 0 | 112.6 | V136 R138 D296 N333 L611 L619 | V136-L335 HydrophobicContact CB-CB 4.46Å; V136-L335 HydrophobicContact CG1-CB 4.36Å; V136-L335 HydrophobicContact CG1-CD1 4.43Å; V136-L335 PolarHBondContact O-N 3.12Å; R138-L335 HydrophobicContact CB-CD1 3.81Å; R138-L335 HydrophobicContact CB-CD2 4.09Å; R138-L335 HydrophobicContact CB-CG 3.84Å; D296-L335 HydrophobicContact CB-CD1 4.28Å; D296-L335 WeakPolarHBondContact OD1-CD1 3.49Å; N333-L335 PolarHBondContact O-N 3.27Å; L335-L611 WeakPolarHBondContact O-CD1 3.42Å; L335-L619 HydrophobicContact CB-CD1 4.05Å; L335-L619 HydrophobicContact CD1-CD1 4.42Å; L335-L619 HydrophobicContact CD1-CD2 4.3Å |
| 336 | S | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 165.2 | 179.6 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | V136 L611 L619 | V136-S336 VanDerWaalsContact CB-OG 3.26Å; V136-S336 WeakPolarHBondContact CB-OG 3.28Å; V136-S336 WeakPolarHBondContact CG2-OG 3.34Å; V136-S336 PolarHBondContact N-O 2.99Å; V136-S336 PolarHBondContact O-N 3.44Å; S336-L611 VanDerWaalsContact CA-CD1 3.44Å; S336-L611 WeakPolarHBondContact CA-O 3.43Å; S336-L611 WeakPolarHBondContact CB-O 3.41Å; S336-L619 WeakPolarHBondContact OG-CD1 3.33Å |
| 337 | V | 91.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.7 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | I135 L318 L321 L334 F339 L611 L612 | I135-V337 HydrophobicContact CG2-CG2 4.31Å; L318-V337 HydrophobicContact CD1-CG2 4.47Å; L321-V337 HydrophobicContact CD2-CG1 4.44Å; L321-V337 HydrophobicContact CD2-CG2 3.63Å; L334-V337 HydrophobicContact CD1-CG2 3.93Å; V337-F339 HydrophobicContact CG1-CB 4.5Å; V337-F339 HydrophobicContact CG1-CD1 3.5Å; V337-F339 HydrophobicContact CG1-CD2 3.44Å; V337-F339 VanDerWaalsContact CG1-CD2 3.44Å; V337-F339 HydrophobicContact CG1-CE1 3.46Å; V337-F339 VanDerWaalsContact CG1-CE1 3.46Å; V337-F339 HydrophobicContact CG1-CE2 3.37Å; V337-F339 HydrophobicContact CG1-CG 3.52Å; V337-F339 HydrophobicContact CG1-CZ 3.39Å; V337-L611 HydrophobicContact CB-CD2 4.45Å; V337-L611 HydrophobicContact CB-CG 4.4Å; V337-L611 HydrophobicContact CG2-CD1 4.3Å; V337-L611 HydrophobicContact CG2-CD2 3.86Å; V337-L611 HydrophobicContact CG2-CG 4.07Å; V337-L611 PolarHBondContact N-O 3.01Å; V337-L612 HydrophobicContact CB-CD2 4.34Å; V337-L612 WeakPolarHBondContact O-CD2 3.49Å |
| 338 | D | 89.6 | Confident | 87.4 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 96.1 | 171.4 | -175.6 | 12.1 | 0 | 0 | 0 | 110.1 | A133 F134 K305 G340 | A133-D338 WeakPolarHBondContact CA-O 3.44Å; F134-D338 HydrophobicContact CD1-CB 4.37Å; F134-D338 HydrophobicContact CD2-CB 4.22Å; F134-D338 HydrophobicContact CE1-CB 3.79Å; F134-D338 WeakPolarHBondContact CE1-OD2 3.24Å; F134-D338 HydrophobicContact CE2-CB 3.62Å; F134-D338 HydrophobicContact CZ-CB 3.36Å; F134-D338 WeakPolarHBondContact CZ-OD2 3.36Å; F134-D338 PolarHBondContact N-O 3.39Å; F134-D338 PolarHBondContact O-N 2.83Å; K305-D338 WeakPolarHBondContact CE-OD2 3.08Å; K305-D338 IonicContact NZ-OD2 3.74Å; K305-D338 PolarHBondContact NZ-OD2 2.97Å; D338-G340 PolarHBondContact OD1-N 2.94Å |
| 339 | F | 88.8 | Confident | 87.6 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -109.6 | 7.4 | 177.1 | -61.5 | -22.2 | 0 | 0 | 0 | 112.5 | A133 I135 L301 L308 L317 L321 V337 I341 | A133-F339 HydrophobicContact CB-CD1 3.79Å; A133-F339 HydrophobicContact CB-CE1 4.43Å; I135-F339 HydrophobicContact CD1-CE1 4.31Å; I135-F339 HydrophobicContact CD1-CZ 3.98Å; I135-F339 HydrophobicContact CG1-CE1 3.64Å; I135-F339 HydrophobicContact CG1-CZ 3.66Å; L301-F339 HydrophobicContact CD1-CD1 4.45Å; L301-F339 HydrophobicContact CD1-CE1 3.74Å; L301-F339 HydrophobicContact CD1-CZ 4.22Å; L308-F339 WeakPolarHBondContact CB-O 3.26Å; L308-F339 HydrophobicContact CD1-CB 4.43Å; L317-F339 HydrophobicContact CD2-CD2 3.75Å; L317-F339 HydrophobicContact CD2-CE2 4Å; L317-F339 HydrophobicContact CG-CD2 4.36Å; L317-F339 HydrophobicContact CG-CE2 4.19Å; L321-F339 HydrophobicContact CD2-CE2 4.07Å; L321-F339 HydrophobicContact CD2-CZ 3.94Å; V337-F339 HydrophobicContact CG1-CB 4.5Å; V337-F339 HydrophobicContact CG1-CD1 3.5Å; V337-F339 HydrophobicContact CG1-CD2 3.44Å; V337-F339 VanDerWaalsContact CG1-CD2 3.44Å; V337-F339 HydrophobicContact CG1-CE1 3.46Å; V337-F339 VanDerWaalsContact CG1-CE1 3.46Å; V337-F339 HydrophobicContact CG1-CE2 3.37Å; V337-F339 HydrophobicContact CG1-CG 3.52Å; V337-F339 HydrophobicContact CG1-CZ 3.39Å; F339-I341 HydrophobicContact CB-CD1 4.22Å; F339-I341 HydrophobicContact CB-CG1 4.08Å; F339-I341 HydrophobicContact CB-CG2 4.13Å; F339-I341 HydrophobicContact CD2-CD1 4.09Å; F339-I341 PolarHBondContact O-N 3.11Å |
| 340 | G | 85.4 | Confident | 87.9 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 69 | 11.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | S309 D338 R342 | S309-G340 VanDerWaalsContact CB-O 3.23Å; S309-G340 WeakPolarHBondContact CB-O 3.12Å; D338-G340 PolarHBondContact OD1-N 2.94Å; G340-R342 VanDerWaalsContact C-N 3.35Å |
| 341 | I | 87.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | trans | -93 | 12.6 | -178.6 | 63.7 | 177.7 | 0 | 0 | 0 | 113.6 | L308 F339 E343 S344 V345 | L308-I341 HydrophobicContact CB-CG2 4.42Å; L308-I341 WeakPolarHBondContact O-CG2 3.31Å; F339-I341 HydrophobicContact CB-CD1 4.22Å; F339-I341 HydrophobicContact CB-CG1 4.08Å; F339-I341 HydrophobicContact CB-CG2 4.13Å; F339-I341 HydrophobicContact CD2-CD1 4.09Å; F339-I341 PolarHBondContact O-N 3.11Å; I341-E343 VanDerWaalsContact C-N 3.35Å; I341-E343 PolarHBondContact O-N 3.4Å; I341-S344 PolarHBondContact O-N 3.36Å; I341-S344 PolarHBondContact O-OG 3.48Å; I341-S344 VanDerWaalsContact O-OG 3.14Å; I341-V345 HydrophobicContact CB-CG2 4.33Å; I341-V345 HydrophobicContact CD1-CG2 4.08Å; I341-V345 HydrophobicContact CG1-CG2 4.07Å; I341-V345 WeakPolarHBondContact O-CB 3.31Å; I341-V345 VanDerWaalsContact O-CG2 3.25Å; I341-V345 WeakPolarHBondContact O-CG2 3.15Å; I341-V345 PolarHBondContact O-N 3.41Å | ||
| 342 | R | 86.5 | Confident | 88.4 | Confident | 49 Ų | 49 | 34.6 Ų | 34.6 | 19% | 0.185 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | -169.9 | -170.4 | -177.3 | -178 | -145.3 | -5.4 | 112.2 | G340 F346 F603 F605 F606 E613 | G340-R342 VanDerWaalsContact C-N 3.35Å; R342-F346 WeakPolarHBondContact O-CB 3.42Å; R342-F346 PolarHBondContact O-N 3.22Å; R342-F603 VanDerWaalsContact CZ-O 3.32Å; R342-F603 PolarHBondContact NH1-O 3.29Å; R342-F603 VanDerWaalsContact NH1-O 3.15Å; R342-F603 PolarHBondContact NH2-O 3.21Å; R342-F605 HydrophobicContact CG-CD2 4.01Å; R342-F606 HydrophobicContact CG-CE2 4.06Å; R342-E613 IonicContact CZ-OE1 3.35Å; R342-E613 IonicContact CZ-OE2 3.02Å; R342-E613 IonicContact NE-OE2 3.6Å; R342-E613 PolarHBondContact NE-OE2 3.22Å; R342-E613 IonicContact NH2-OE1 3.28Å; R342-E613 PolarHBondContact NH2-OE1 3.17Å; R342-E613 IonicContact NH2-OE2 2.78Å; R342-E613 PolarHBondContact NH2-OE2 3.19Å |
| 343 | E | 84.5 | Confident | 88.5 | Confident | 90 Ų | 90 | 34.6 Ų | 34.6 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.7 | -43.1 | -178.3 | -65.9 | 166.3 | -166.5 | 0 | 0 | 111.9 | P39 I341 V345 F346 K347 | P39-E343 HydrophobicContact CG-CG 4.19Å; I341-E343 VanDerWaalsContact C-N 3.35Å; I341-E343 PolarHBondContact O-N 3.4Å; E343-V345 PolarHBondContact O-N 3.15Å; E343-F346 WeakPolarHBondContact O-CB 3.41Å; E343-F346 PolarHBondContact O-N 3.33Å; E343-F346 VanDerWaalsContact O-N 3.12Å; E343-K347 PolarHBondContact O-N 3.04Å |
| 344 | S | 83.3 | Confident | 88.4 | Confident | 37 Ų | 37 | 35 Ų | 35 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | S314 I341 K347 S348 | S314-S344 PolarHBondContact OG-OG 3.33Å; I341-S344 PolarHBondContact O-N 3.36Å; I341-S344 PolarHBondContact O-OG 3.48Å; I341-S344 VanDerWaalsContact O-OG 3.14Å; S344-K347 PolarHBondContact O-N 2.96Å; S344-S348 PolarHBondContact O-N 3.5Å |
| 345 | V | 87.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | I341 E343 K347 S348 M349 F606 L612 | I341-V345 HydrophobicContact CB-CG2 4.33Å; I341-V345 HydrophobicContact CD1-CG2 4.08Å; I341-V345 HydrophobicContact CG1-CG2 4.07Å; I341-V345 WeakPolarHBondContact O-CB 3.31Å; I341-V345 VanDerWaalsContact O-CG2 3.25Å; I341-V345 WeakPolarHBondContact O-CG2 3.15Å; I341-V345 PolarHBondContact O-N 3.41Å; E343-V345 PolarHBondContact O-N 3.15Å; V345-K347 PolarHBondContact O-N 3.1Å; V345-S348 PolarHBondContact O-N 3.24Å; V345-M349 HydrophobicContact CG1-CE 4.35Å; V345-M349 HydrophobicContact CG1-CG 3.96Å; V345-M349 WeakPolarHBondContact O-CB 3.34Å; V345-M349 VanDerWaalsContact O-CG 3.26Å; V345-M349 WeakPolarHBondContact O-CG 3.49Å; V345-M349 PolarHBondContact O-N 3.27Å; V345-F606 HydrophobicContact CG1-CZ 4.06Å; V345-L612 HydrophobicContact CB-CD1 3.89Å; V345-L612 HydrophobicContact CG1-CD1 3.82Å; V345-L612 HydrophobicContact CG2-CD1 4.08Å |
| 346 | F | 88.7 | Confident | 88.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.8 | 172.2 | -95.6 | 0 | 0 | 0 | 111.4 | P39 R342 E343 S348 M349 L350 F406 F605 F606 V964 | P39-F346 HydrophobicContact CB-CD1 3.7Å; P39-F346 HydrophobicContact CB-CE1 3.54Å; P39-F346 HydrophobicContact CB-CZ 4.2Å; P39-F346 HydrophobicContact CG-CD1 3.99Å; P39-F346 HydrophobicContact CG-CE1 4.33Å; R342-F346 WeakPolarHBondContact O-CB 3.42Å; R342-F346 PolarHBondContact O-N 3.22Å; E343-F346 WeakPolarHBondContact O-CB 3.41Å; E343-F346 PolarHBondContact O-N 3.33Å; E343-F346 VanDerWaalsContact O-N 3.12Å; F346-S348 VanDerWaalsContact C-N 3.33Å; F346-S348 PolarHBondContact O-N 2.89Å; F346-M349 PolarHBondContact O-N 2.92Å; F346-L350 HydrophobicContact CE1-CD2 4.46Å; F346-L350 HydrophobicContact CZ-CD1 4.3Å; F346-L350 WeakPolarHBondContact O-CB 3.41Å; F346-L350 PolarHBondContact O-N 3.26Å; F346-F406 HydrophobicContact CE1-CD1 4.47Å; F346-F406 HydrophobicContact CE1-CG 4.42Å; F346-F406 HydrophobicContact CZ-CD1 4.47Å; F346-F406 HydrophobicContact CZ-CD2 4.04Å; F346-F406 HydrophobicContact CZ-CE1 4.43Å; F346-F406 HydrophobicContact CZ-CE2 4Å; F346-F406 HydrophobicContact CZ-CG 4.28Å; F346-F406 HydrophobicContact CZ-CZ 4.2Å; F346-F605 HydrophobicContact CD2-CB 3.73Å; F346-F605 HydrophobicContact CD2-CG 4.26Å; F346-F605 HydrophobicContact CE2-CB 4.17Å; F346-F605 HydrophobicContact CG-CB 4.45Å; F346-F606 HydrophobicContact CB-CE1 4.48Å; F346-F606 HydrophobicContact CB-CE2 4.49Å; F346-F606 HydrophobicContact CB-CZ 3.85Å; F346-F606 HydrophobicContact CD2-CE1 4.47Å; F346-F606 HydrophobicContact CD2-CZ 4.47Å; F346-V964 HydrophobicContact CD2-CG2 4.46Å; F346-V964 HydrophobicContact CE2-CG1 3.76Å; F346-V964 HydrophobicContact CE2-CG2 4.32Å; F346-V964 HydrophobicContact CZ-CG1 4.43Å |
| 347 | K | 86.7 | Confident | 88.5 | Confident | 65 Ų | 65 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 176.8 | -178.6 | 174.2 | 178.3 | 169.7 | 0 | 111.6 | D35 S37 E343 S344 V345 L350 F351 | D35-K347 IonicContact OD1-NZ 3.09Å; D35-K347 PolarHBondContact OD1-NZ 2.9Å; S37-K347 PolarHBondContact OG-NZ 3.47Å; E343-K347 PolarHBondContact O-N 3.04Å; S344-K347 PolarHBondContact O-N 2.96Å; V345-K347 PolarHBondContact O-N 3.1Å; K347-L350 WeakPolarHBondContact O-CB 3.34Å; K347-L350 PolarHBondContact O-N 3.21Å; K347-F351 HydrophobicContact CG-CE2 4.16Å; K347-F351 WeakPolarHBondContact O-CD2 3.22Å; K347-F351 PolarHBondContact O-N 3.17Å |
| 348 | S | 87.7 | Confident | 88.5 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 178.3 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | S344 V345 F346 F351 H352 | S344-S348 PolarHBondContact O-N 3.5Å; V345-S348 PolarHBondContact O-N 3.24Å; F346-S348 VanDerWaalsContact C-N 3.33Å; F346-S348 PolarHBondContact O-N 2.89Å; S348-F351 PolarHBondContact O-N 3.17Å; S348-H352 PolarHBondContact O-N 2.87Å; S348-H352 VanDerWaalsContact O-N 3.07Å |
| 349 | M | 88.5 | Confident | 88.6 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 179.1 | -70.3 | -62.5 | -176.2 | 0 | 0 | 112.3 | L315 V345 F346 F351 H352 D353 F606 V964 | L315-M349 HydrophobicContact CD1-CE 3.72Å; L315-M349 HydrophobicContact CD1-SD 4.27Å; L315-M349 HydrophobicContact CG-CE 4.24Å; V345-M349 HydrophobicContact CG1-CE 4.35Å; V345-M349 HydrophobicContact CG1-CG 3.96Å; V345-M349 WeakPolarHBondContact O-CB 3.34Å; V345-M349 VanDerWaalsContact O-CG 3.26Å; V345-M349 WeakPolarHBondContact O-CG 3.49Å; V345-M349 PolarHBondContact O-N 3.27Å; F346-M349 PolarHBondContact O-N 2.92Å; M349-F351 VanDerWaalsContact C-N 3.33Å; M349-F351 PolarHBondContact O-N 2.86Å; M349-H352 PolarHBondContact O-N 3.36Å; M349-D353 VanDerWaalsContact O-CB 3.3Å; M349-D353 WeakPolarHBondContact O-CB 3.1Å; M349-D353 PolarHBondContact O-N 3Å; M349-F606 HydrophobicContact CB-CE1 4.15Å; M349-F606 HydrophobicContact CG-CE1 4.15Å; M349-V964 HydrophobicContact CB-CG2 4.2Å |
| 350 | L | 88.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 174.6 | -175.9 | 73.6 | 0 | 0 | 0 | 111.6 | F36 F346 K347 L354 F406 L409 Y967 | F36-L350 HydrophobicContact CB-CD2 4.33Å; F36-L350 HydrophobicContact CD2-CD2 4.21Å; F36-L350 HydrophobicContact CG-CD2 4.21Å; F346-L350 HydrophobicContact CE1-CD2 4.46Å; F346-L350 HydrophobicContact CZ-CD1 4.3Å; F346-L350 WeakPolarHBondContact O-CB 3.41Å; F346-L350 PolarHBondContact O-N 3.26Å; K347-L350 WeakPolarHBondContact O-CB 3.34Å; K347-L350 PolarHBondContact O-N 3.21Å; L350-L354 PolarHBondContact O-N 2.85Å; L350-F406 HydrophobicContact CD1-CD2 4.44Å; L350-F406 HydrophobicContact CD2-CB 4.06Å; L350-L409 HydrophobicContact CD2-CD1 3.95Å; L350-L409 HydrophobicContact CG-CD1 4.33Å; L350-Y967 HydrophobicContact CD1-CE2 3.92Å; L350-Y967 WeakPolarHBondContact CD1-OH 3.25Å |
| 351 | F | 87.9 | Confident | 89 | Confident | 114 Ų | 114 | 49 Ų | 49 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.5 | -37 | 176.5 | -71.9 | -69.1 | 0 | 0 | 0 | 112.7 | F36 K347 S348 M349 L354 | F36-F351 HydrophobicContact CD2-CE2 4.45Å; F36-F351 HydrophobicContact CD2-CZ 4Å; F36-F351 HydrophobicContact CE2-CZ 4.26Å; K347-F351 HydrophobicContact CG-CE2 4.16Å; K347-F351 WeakPolarHBondContact O-CD2 3.22Å; K347-F351 PolarHBondContact O-N 3.17Å; S348-F351 PolarHBondContact O-N 3.17Å; M349-F351 VanDerWaalsContact C-N 3.33Å; M349-F351 PolarHBondContact O-N 2.86Å; F351-L354 WeakPolarHBondContact O-CB 3.48Å; F351-L354 PolarHBondContact O-N 2.87Å |
| 352 | H | 89.7 | Confident | 89.2 | Confident | 115 Ų | 115 | 53.2 Ų | 53.2 | 53% | 0.532 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.7 | -176.1 | -86 | 0 | 0 | 0 | 111.4 | S348 M349 L354 I355 | S348-H352 PolarHBondContact O-N 2.87Å; S348-H352 VanDerWaalsContact O-N 3.07Å; M349-H352 PolarHBondContact O-N 3.36Å; H352-L354 PolarHBondContact O-N 3.33Å; H352-I355 WeakPolarHBondContact O-CG2 3.46Å; H352-I355 PolarHBondContact O-N 3.43Å |
| 353 | D | 91 | Very high | 89.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.3 | 179.8 | -76.3 | -5.5 | 0 | 0 | 0 | 113.5 | M349 I355 Y356 T963 V964 Y967 | M349-D353 VanDerWaalsContact O-CB 3.3Å; M349-D353 WeakPolarHBondContact O-CB 3.1Å; M349-D353 PolarHBondContact O-N 3Å; D353-I355 PolarHBondContact O-N 3.36Å; D353-I355 VanDerWaalsContact O-N 3.11Å; D353-Y356 HydrophobicContact CB-CD2 4.19Å; D353-Y356 WeakPolarHBondContact O-CB 3.35Å; D353-Y356 PolarHBondContact O-N 2.69Å; D353-T963 PolarHBondContact OD1-OG1 2.88Å; D353-T963 WeakPolarHBondContact OD2-CA 3.38Å; D353-T963 PolarHBondContact OD2-N 3.29Å; D353-T963 PolarHBondContact OD2-OG1 3.48Å; D353-V964 WeakPolarHBondContact OD2-CG2 3.29Å; D353-V964 PolarHBondContact OD2-N 3.34Å; D353-Y967 HydrophobicContact CB-CD2 3.76Å; D353-Y967 HydrophobicContact CB-CE2 3.86Å |
| 354 | L | 89.6 | Confident | 89.7 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.7 | -23.4 | 170 | -168.2 | 67 | 0 | 0 | 0 | 111.7 | L350 F351 H352 Y356 V357 L358 | L350-L354 PolarHBondContact O-N 2.85Å; F351-L354 WeakPolarHBondContact O-CB 3.48Å; F351-L354 PolarHBondContact O-N 2.87Å; H352-L354 PolarHBondContact O-N 3.33Å; L354-Y356 PolarHBondContact O-N 3.31Å; L354-V357 HydrophobicContact CD1-CB 4.07Å; L354-V357 HydrophobicContact CD1-CG1 4.42Å; L354-V357 HydrophobicContact CD1-CG2 4.18Å; L354-V357 WeakPolarHBondContact O-CB 3.49Å; L354-V357 PolarHBondContact O-N 3.3Å; L354-V357 VanDerWaalsContact O-N 3.11Å; L354-L358 WeakPolarHBondContact O-CG 3.31Å; L354-L358 PolarHBondContact O-N 3.45Å |
| 355 | I | 92.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 52% | 0.518 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.1 | -34.4 | 172.7 | -160 | 169.4 | 0 | 0 | 0 | 112.5 | H352 D353 L358 L359 | H352-I355 WeakPolarHBondContact O-CG2 3.46Å; H352-I355 PolarHBondContact O-N 3.43Å; D353-I355 PolarHBondContact O-N 3.36Å; D353-I355 VanDerWaalsContact O-N 3.11Å; I355-L358 PolarHBondContact O-N 3.32Å; I355-L359 WeakPolarHBondContact O-CB 3.36Å; I355-L359 PolarHBondContact O-N 3.5Å |
| 356 | Y | 93.4 | Very high | 90.2 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.9 | -32.8 | 176.9 | -63.5 | -67.4 | 0 | 0 | 0 | 111.7 | D353 L354 L359 A360 F961 | D353-Y356 HydrophobicContact CB-CD2 4.19Å; D353-Y356 WeakPolarHBondContact O-CB 3.35Å; D353-Y356 PolarHBondContact O-N 2.69Å; L354-Y356 PolarHBondContact O-N 3.31Å; Y356-L359 PolarHBondContact O-N 2.9Å; Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.3Å; Y356-F961 HydrophobicContact CD1-CB 4.02Å; Y356-F961 HydrophobicContact CE1-CB 3.65Å |
| 357 | V | 89.5 | Confident | 90.1 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 110 | L354 L359 A360 V361 I412 I413 M959 | L354-V357 HydrophobicContact CD1-CB 4.07Å; L354-V357 HydrophobicContact CD1-CG1 4.42Å; L354-V357 HydrophobicContact CD1-CG2 4.18Å; L354-V357 WeakPolarHBondContact O-CB 3.49Å; L354-V357 PolarHBondContact O-N 3.3Å; L354-V357 VanDerWaalsContact O-N 3.11Å; V357-L359 VanDerWaalsContact C-N 3.31Å; V357-L359 PolarHBondContact O-N 2.94Å; V357-A360 WeakPolarHBondContact O-CB 3.26Å; V357-A360 PolarHBondContact O-N 3.37Å; V357-A360 VanDerWaalsContact O-N 3.16Å; V357-V361 WeakPolarHBondContact O-CG2 3.31Å; V357-V361 PolarHBondContact O-N 3.48Å; V357-I412 HydrophobicContact CG1-CG2 3.98Å; V357-I413 HydrophobicContact CG1-CG1 3.97Å; V357-I413 HydrophobicContact CG2-CD1 3.97Å; V357-I413 HydrophobicContact CG2-CG1 4Å; V357-M959 HydrophobicContact CB-SD 4.46Å; V357-M959 HydrophobicContact CG2-CE 3.66Å; V357-M959 HydrophobicContact CG2-SD 3.83Å |
| 358 | L | 91.2 | Very high | 90.2 | Very high | 112 Ų | 112 | 50.6 Ų | 50.6 | 59% | 0.586 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 175.9 | -67.7 | 173.6 | 0 | 0 | 0 | 111.8 | L354 I355 V361 L362 | L354-L358 WeakPolarHBondContact O-CG 3.31Å; L354-L358 PolarHBondContact O-N 3.45Å; I355-L358 PolarHBondContact O-N 3.32Å; L358-V361 PolarHBondContact O-N 3Å; L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 3.35Å |
| 359 | L | 92.9 | Very high | 90.2 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 40% | 0.398 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 173.7 | -178.1 | 64.6 | 0 | 0 | 0 | 111.6 | I355 Y356 V357 L362 C363 | I355-L359 WeakPolarHBondContact O-CB 3.36Å; I355-L359 PolarHBondContact O-N 3.5Å; Y356-L359 PolarHBondContact O-N 2.9Å; V357-L359 VanDerWaalsContact C-N 3.31Å; V357-L359 PolarHBondContact O-N 2.94Å; L359-L362 PolarHBondContact O-N 3.43Å; L359-C363 WeakPolarHBondContact O-CB 3.35Å; L359-C363 PolarHBondContact O-N 2.69Å; L359-C363 PolarHBondContact O-SG 3.37Å |
| 360 | A | 91.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y356 V357 L362 C363 I364 C958 | Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.3Å; V357-A360 WeakPolarHBondContact O-CB 3.26Å; V357-A360 PolarHBondContact O-N 3.37Å; V357-A360 VanDerWaalsContact O-N 3.16Å; A360-L362 VanDerWaalsContact C-N 3.3Å; A360-L362 PolarHBondContact O-N 3.26Å; A360-C363 PolarHBondContact O-N 2.85Å; A360-I364 WeakPolarHBondContact O-CB 3.42Å; A360-I364 WeakPolarHBondContact O-CG1 3.24Å; A360-I364 PolarHBondContact O-N 2.96Å; A360-C958 HydrophobicContact CB-CB 3.77Å |
| 361 | V | 90.5 | Very high | 89.6 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.5 | -44 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | V357 L358 I364 F365 V416 | V357-V361 WeakPolarHBondContact O-CG2 3.31Å; V357-V361 PolarHBondContact O-N 3.48Å; L358-V361 PolarHBondContact O-N 3Å; V361-I364 PolarHBondContact O-N 3.19Å; V361-F365 VanDerWaalsContact O-CB 3.24Å; V361-F365 WeakPolarHBondContact O-CB 3.35Å; V361-F365 PolarHBondContact O-N 2.91Å; V361-V416 HydrophobicContact CG2-CB 4.48Å; V361-V416 HydrophobicContact CG2-CG1 4.1Å; V361-V416 HydrophobicContact CG2-CG2 3.84Å |
| 362 | L | 92 | Very high | 89.3 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.8 | 179.4 | 63.2 | 0 | 0 | 0 | 112.1 | L358 L359 A360 F365 I366 | L358-L362 WeakPolarHBondContact O-CB 3.45Å; L358-L362 PolarHBondContact O-N 3.35Å; L359-L362 PolarHBondContact O-N 3.43Å; A360-L362 VanDerWaalsContact C-N 3.3Å; A360-L362 PolarHBondContact O-N 3.26Å; L362-F365 WeakPolarHBondContact O-CB 3.5Å; L362-F365 PolarHBondContact O-N 3.41Å; L362-I366 HydrophobicContact CD1-CD1 4.3Å; L362-I366 HydrophobicContact CG-CD1 4.14Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.15Å |
| 363 | C | 92 | Very high | 89 | Confident | 31 Ų | 31 | 42 Ų | 42 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.7 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | L359 A360 I366 A367 L954 | L359-C363 WeakPolarHBondContact O-CB 3.35Å; L359-C363 PolarHBondContact O-N 2.69Å; L359-C363 PolarHBondContact O-SG 3.37Å; A360-C363 PolarHBondContact O-N 2.85Å; C363-I366 PolarHBondContact O-N 3.37Å; C363-A367 PolarHBondContact O-N 2.99Å; C363-L954 HydrophobicContact CB-CD2 3.82Å; C363-L954 HydrophobicContact CB-CG 4.01Å |
| 364 | I | 90.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 176.2 | -68.6 | 170 | 0 | 0 | 0 | 110.6 | A360 V361 I366 A367 V368 V416 V420 | A360-I364 WeakPolarHBondContact O-CB 3.42Å; A360-I364 WeakPolarHBondContact O-CG1 3.24Å; A360-I364 PolarHBondContact O-N 2.96Å; V361-I364 PolarHBondContact O-N 3.19Å; I364-I366 VanDerWaalsContact C-N 3.34Å; I364-I366 PolarHBondContact O-N 3.32Å; I364-A367 WeakPolarHBondContact O-CB 3.35Å; I364-A367 PolarHBondContact O-N 3.44Å; I364-A367 VanDerWaalsContact O-N 3.16Å; I364-V368 HydrophobicContact CG2-CG2 4.33Å; I364-V368 WeakPolarHBondContact O-CG2 3.25Å; I364-V368 PolarHBondContact O-N 2.87Å; I364-V416 HydrophobicContact CB-CG1 4.32Å; I364-V416 HydrophobicContact CD1-CG1 3.64Å; I364-V416 HydrophobicContact CG2-CG1 4.16Å; I364-V420 HydrophobicContact CG2-CG2 3.72Å |
| 365 | F | 90.6 | Very high | 88.7 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.5 | 174.3 | -98.4 | 0 | 0 | 0 | 112 | V361 L362 V368 C369 L374 A377 L378 V381 | V361-F365 VanDerWaalsContact O-CB 3.24Å; V361-F365 WeakPolarHBondContact O-CB 3.35Å; V361-F365 PolarHBondContact O-N 2.91Å; L362-F365 WeakPolarHBondContact O-CB 3.5Å; L362-F365 PolarHBondContact O-N 3.41Å; F365-V368 PolarHBondContact O-N 3.33Å; F365-C369 WeakPolarHBondContact O-CB 3.23Å; F365-C369 PolarHBondContact O-N 3.3Å; F365-C369 PolarHBondContact O-SG 3.37Å; F365-L374 HydrophobicContact CE1-CD1 4.02Å; F365-L374 HydrophobicContact CZ-CD1 3.58Å; F365-A377 HydrophobicContact CD2-CB 3.84Å; F365-A377 HydrophobicContact CE2-CB 3.57Å; F365-A377 HydrophobicContact CZ-CB 4.31Å; F365-L378 HydrophobicContact CE2-CD2 3.91Å; F365-L378 HydrophobicContact CE2-CG 4.11Å; F365-L378 HydrophobicContact CZ-CD2 3.89Å; F365-L378 HydrophobicContact CZ-CG 4.12Å; F365-V381 HydrophobicContact CD2-CG2 3.76Å; F365-V381 HydrophobicContact CE2-CG2 4.31Å |
| 366 | I | 89.1 | Confident | 88.5 | Confident | 91 Ų | 91 | 39.9 Ų | 39.9 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.2 | -66.7 | 164.6 | 0 | 0 | 0 | 110.1 | L362 C363 I364 V368 C369 T370 | L362-I366 HydrophobicContact CD1-CD1 4.3Å; L362-I366 HydrophobicContact CG-CD1 4.14Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.15Å; C363-I366 PolarHBondContact O-N 3.37Å; I364-I366 VanDerWaalsContact C-N 3.34Å; I364-I366 PolarHBondContact O-N 3.32Å; I366-V368 PolarHBondContact O-N 2.91Å; I366-C369 WeakPolarHBondContact O-CB 3.34Å; I366-C369 PolarHBondContact O-N 2.84Å; I366-T370 HydrophobicContact CG2-CG2 4.4Å; I366-T370 WeakPolarHBondContact O-CG2 3.48Å; I366-T370 PolarHBondContact O-N 3.43Å; I366-T370 PolarHBondContact O-OG1 2.72Å |
| 367 | A | 87.4 | Confident | 88.3 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C363 I364 C369 T370 Y371 M947 T951 | C363-A367 PolarHBondContact O-N 2.99Å; I364-A367 WeakPolarHBondContact O-CB 3.35Å; I364-A367 PolarHBondContact O-N 3.44Å; I364-A367 VanDerWaalsContact O-N 3.16Å; A367-C369 PolarHBondContact O-N 3.24Å; A367-T370 PolarHBondContact O-N 3.47Å; A367-T370 PolarHBondContact O-OG1 3.33Å; A367-Y371 PolarHBondContact O-N 3.26Å; A367-Y371 VanDerWaalsContact O-N 3.13Å; A367-M947 HydrophobicContact CB-CE 3.9Å; A367-T951 HydrophobicContact CB-CG2 3.8Å |
| 368 | V | 87.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 176 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | I364 F365 I366 T370 Y371 T372 A377 V420 F424 | I364-V368 HydrophobicContact CG2-CG2 4.33Å; I364-V368 WeakPolarHBondContact O-CG2 3.25Å; I364-V368 PolarHBondContact O-N 2.87Å; F365-V368 PolarHBondContact O-N 3.33Å; I366-V368 PolarHBondContact O-N 2.91Å; V368-T370 PolarHBondContact O-N 2.82Å; V368-Y371 PolarHBondContact O-N 3.46Å; V368-T372 WeakPolarHBondContact O-CB 3.22Å; V368-T372 PolarHBondContact O-N 2.96Å; V368-T372 PolarHBondContact O-OG1 2.86Å; V368-A377 HydrophobicContact CB-CB 4.38Å; V368-A377 HydrophobicContact CG1-CB 3.9Å; V368-V420 HydrophobicContact CG2-CG1 3.76Å; V368-V420 HydrophobicContact CG2-CG2 4.27Å; V368-F424 HydrophobicContact CB-CE1 4.41Å; V368-F424 HydrophobicContact CG1-CE1 4.43Å; V368-F424 HydrophobicContact CG2-CE1 3.99Å; V368-F424 HydrophobicContact CG2-CZ 3.79Å |
| 369 | C | 88.2 | Confident | 88.3 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 12% | 0.122 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 175.1 | -77.6 | 0 | 0 | 0 | 0 | 112.3 | F365 I366 A367 A377 | F365-C369 WeakPolarHBondContact O-CB 3.23Å; F365-C369 PolarHBondContact O-N 3.3Å; F365-C369 PolarHBondContact O-SG 3.37Å; I366-C369 WeakPolarHBondContact O-CB 3.34Å; I366-C369 PolarHBondContact O-N 2.84Å; A367-C369 PolarHBondContact O-N 3.24Å; C369-A377 WeakPolarHBondContact SG-CB 3.45Å |
| 370 | T | 82.1 | Confident | 88.2 | Confident | 55 Ų | 55 | 33.6 Ų | 33.6 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 179.7 | 60 | 0 | 0 | 0 | 0 | 112.3 | I366 A367 V368 M547 K548 | I366-T370 HydrophobicContact CG2-CG2 4.4Å; I366-T370 WeakPolarHBondContact O-CG2 3.48Å; I366-T370 PolarHBondContact O-N 3.43Å; I366-T370 PolarHBondContact O-OG1 2.72Å; A367-T370 PolarHBondContact O-N 3.47Å; A367-T370 PolarHBondContact O-OG1 3.33Å; V368-T370 PolarHBondContact O-N 2.82Å; T370-M547 HydrophobicContact CG2-SD 4.16Å; T370-K548 WeakPolarHBondContact O-CE 3.45Å |
| 371 | Y | 82.2 | Confident | 88.1 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.9 | -45.9 | 177.7 | -173.1 | -106 | 0 | 0 | 0 | 112.1 | A367 V368 F424 K548 S943 M947 | A367-Y371 PolarHBondContact O-N 3.26Å; A367-Y371 VanDerWaalsContact O-N 3.13Å; V368-Y371 PolarHBondContact O-N 3.46Å; Y371-F424 AromaticContact CD1-CD1 3.42Å; Y371-F424 HydrophobicContact CD1-CD1 3.42Å; Y371-F424 VanDerWaalsContact CD1-CD1 3.42Å; Y371-F424 AromaticContact CD1-CE1 3.59Å; Y371-F424 HydrophobicContact CD1-CE1 3.59Å; Y371-F424 HydrophobicContact CD1-CG 4.45Å; Y371-F424 AromaticContact CE1-CD1 3.79Å; Y371-F424 HydrophobicContact CE1-CD1 3.79Å; Y371-F424 HydrophobicContact CE1-CE1 4.38Å; Y371-F424 HydrophobicContact CE1-CG 4.47Å; Y371-F424 HydrophobicContact CG-CD1 4.27Å; Y371-F424 HydrophobicContact CG-CE1 4.04Å; Y371-K548 WeakPolarHBondContact O-CE 3.19Å; Y371-K548 PolarHBondContact O-NZ 3.16Å; Y371-S943 PolarHBondContact OH-OG 2.89Å; Y371-M947 HydrophobicContact CD2-CG 4.3Å; Y371-M947 HydrophobicContact CG-CG 4.41Å |
| 372 | T | 82.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -103.3 | -109.7 | -172.2 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | V368 Y376 F424 H427 K548 | V368-T372 WeakPolarHBondContact O-CB 3.22Å; V368-T372 PolarHBondContact O-N 2.96Å; V368-T372 PolarHBondContact O-OG1 2.86Å; T372-Y376 HydrophobicContact CG2-CD1 3.89Å; T372-Y376 HydrophobicContact CG2-CE1 4.22Å; T372-Y376 WeakPolarHBondContact OG1-CD1 3.03Å; T372-F424 HydrophobicContact CG2-CD1 4.48Å; T372-H427 HydrophobicContact CG2-CB 4.15Å; T372-H427 VanDerWaalsContact CG2-CD2 3.43Å; T372-H427 WeakPolarHBondContact CG2-CD2 3.1Å; T372-K548 PolarHBondContact O-NZ 3.01Å |
| 373 | S | 83.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 32.3 Ų | 32.3 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | trans | -151.9 | 159.1 | 172.5 | 65.3 | 0 | 0 | 0 | 0 | 109.9 | C375 Y376 A377 E540 | S373-C375 VanDerWaalsContact C-N 3.29Å; S373-C375 PolarHBondContact O-N 3.18Å; S373-Y376 PolarHBondContact O-N 3.33Å; S373-Y376 PolarHBondContact OG-N 3.49Å; S373-A377 PolarHBondContact O-N 2.83Å; S373-E540 VanDerWaalsContact CB-OE1 3.3Å; S373-E540 WeakPolarHBondContact CB-OE1 3.28Å | ||
| 374 | L | 86.7 | Confident | 88.1 | Confident | 74 Ų | 74 | 31.4 Ų | 31.4 | 39% | 0.387 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 179.3 | 179.6 | 63.7 | 0 | 0 | 0 | 112.4 | F365 Y376 A377 L378 L536 | F365-L374 HydrophobicContact CE1-CD1 4.02Å; F365-L374 HydrophobicContact CZ-CD1 3.58Å; L374-Y376 PolarHBondContact O-N 2.9Å; L374-A377 PolarHBondContact O-N 3.19Å; L374-L378 HydrophobicContact CD1-CD1 4.44Å; L374-L378 HydrophobicContact CD1-CG 4.5Å; L374-L378 HydrophobicContact CG-CD1 4.23Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.39Å; L374-L536 HydrophobicContact CD2-CD2 4.13Å |
| 375 | C | 87.2 | Confident | 88.2 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 28% | 0.284 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 179.7 | -69 | 0 | 0 | 0 | 0 | 111.9 | S373 L378 L379 L508 | S373-C375 VanDerWaalsContact C-N 3.29Å; S373-C375 PolarHBondContact O-N 3.18Å; C375-L378 PolarHBondContact O-N 2.84Å; C375-L379 VanDerWaalsContact O-CG 3.3Å; C375-L379 WeakPolarHBondContact O-CG 3.34Å; C375-L379 PolarHBondContact O-N 3.48Å; C375-L379 VanDerWaalsContact O-N 3.13Å; C375-L508 HydrophobicContact CB-CD1 3.95Å; C375-L508 HydrophobicContact CB-CD2 4.15Å |
| 376 | Y | 87.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 178.1 | -174.7 | -99.9 | 0 | 0 | 0 | 111.3 | T372 S373 L374 L378 L379 Y380 A423 F426 H427 L501 T505 | T372-Y376 HydrophobicContact CG2-CD1 3.89Å; T372-Y376 HydrophobicContact CG2-CE1 4.22Å; T372-Y376 WeakPolarHBondContact OG1-CD1 3.03Å; S373-Y376 PolarHBondContact O-N 3.33Å; S373-Y376 PolarHBondContact OG-N 3.49Å; L374-Y376 PolarHBondContact O-N 2.9Å; Y376-L378 VanDerWaalsContact C-N 3.35Å; Y376-L378 PolarHBondContact O-N 3.05Å; Y376-L379 PolarHBondContact O-N 3.48Å; Y376-Y380 WeakPolarHBondContact O-CB 3.26Å; Y376-Y380 PolarHBondContact O-N 3.41Å; Y376-A423 HydrophobicContact CE1-CB 4.19Å; Y376-A423 PolarHBondContact OH-O 2.88Å; Y376-F426 HydrophobicContact CE2-CD1 4.29Å; Y376-H427 HydrophobicContact CE1-CB 4.1Å; Y376-L501 HydrophobicContact CE2-CD2 4.4Å; Y376-T505 HydrophobicContact CD2-CG2 3.58Å; Y376-T505 HydrophobicContact CE2-CG2 3.56Å |
| 377 | A | 89 | Confident | 88.5 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F365 V368 C369 S373 L374 Y380 V381 | F365-A377 HydrophobicContact CD2-CB 3.84Å; F365-A377 HydrophobicContact CE2-CB 3.57Å; F365-A377 HydrophobicContact CZ-CB 4.31Å; V368-A377 HydrophobicContact CB-CB 4.38Å; V368-A377 HydrophobicContact CG1-CB 3.9Å; C369-A377 WeakPolarHBondContact SG-CB 3.45Å; S373-A377 PolarHBondContact O-N 2.83Å; L374-A377 PolarHBondContact O-N 3.19Å; A377-Y380 PolarHBondContact O-N 2.87Å; A377-V381 WeakPolarHBondContact O-CG2 3.41Å; A377-V381 PolarHBondContact O-N 2.77Å |
| 378 | L | 90.6 | Very high | 88.8 | Confident | 86 Ų | 86 | 30.8 Ų | 30.8 | 45% | 0.45 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 176.6 | -74.1 | 170 | 0 | 0 | 0 | 112.5 | F365 L374 C375 Y376 Y380 V381 I382 | F365-L378 HydrophobicContact CE2-CD2 3.91Å; F365-L378 HydrophobicContact CE2-CG 4.11Å; F365-L378 HydrophobicContact CZ-CD2 3.89Å; F365-L378 HydrophobicContact CZ-CG 4.12Å; L374-L378 HydrophobicContact CD1-CD1 4.44Å; L374-L378 HydrophobicContact CD1-CG 4.5Å; L374-L378 HydrophobicContact CG-CD1 4.23Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.39Å; C375-L378 PolarHBondContact O-N 2.84Å; Y376-L378 VanDerWaalsContact C-N 3.35Å; Y376-L378 PolarHBondContact O-N 3.05Å; L378-Y380 PolarHBondContact O-N 2.94Å; L378-V381 PolarHBondContact O-N 3.46Å; L378-I382 WeakPolarHBondContact O-CG1 3.35Å; L378-I382 PolarHBondContact O-N 2.91Å; L378-I382 VanDerWaalsContact O-N 3.11Å |
| 379 | L | 90.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 31.1 Ų | 31.1 | 15% | 0.152 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -39 | 175.6 | -71.7 | 171.1 | 0 | 0 | 0 | 111.4 | C375 Y376 I382 C383 W500 A504 L508 | C375-L379 VanDerWaalsContact O-CG 3.3Å; C375-L379 WeakPolarHBondContact O-CG 3.34Å; C375-L379 PolarHBondContact O-N 3.48Å; C375-L379 VanDerWaalsContact O-N 3.13Å; Y376-L379 PolarHBondContact O-N 3.48Å; L379-I382 PolarHBondContact O-N 2.82Å; L379-C383 PolarHBondContact O-N 3.44Å; L379-C383 VanDerWaalsContact O-N 3.07Å; L379-W500 HydrophobicContact CD2-CZ2 3.73Å; L379-W500 PolarHBondContact O-NE1 3.33Å; L379-A504 HydrophobicContact CD1-CB 3.53Å; L379-A504 HydrophobicContact CD2-CB 3.74Å; L379-A504 HydrophobicContact CG-CB 4.18Å; L379-L508 HydrophobicContact CD1-CD1 3.42Å; L379-L508 VanDerWaalsContact CD1-CD1 3.42Å; L379-L508 HydrophobicContact CD1-CG 4.25Å |
| 380 | Y | 89.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 178.8 | 179.1 | -104 | 0 | 0 | 0 | 112.5 | Y376 A377 L378 I382 C383 M384 G419 V420 A423 L501 | Y376-Y380 WeakPolarHBondContact O-CB 3.26Å; Y376-Y380 PolarHBondContact O-N 3.41Å; A377-Y380 PolarHBondContact O-N 2.87Å; L378-Y380 PolarHBondContact O-N 2.94Å; Y380-I382 VanDerWaalsContact C-N 3.27Å; Y380-I382 PolarHBondContact O-N 3.47Å; Y380-C383 WeakPolarHBondContact O-CA 3.39Å; Y380-C383 WeakPolarHBondContact O-CB 3.42Å; Y380-C383 PolarHBondContact O-N 3.31Å; Y380-M384 HydrophobicContact CD1-CG 4.34Å; Y380-M384 HydrophobicContact CE1-CE 4.02Å; Y380-M384 HydrophobicContact CE1-CG 3.79Å; Y380-M384 HydrophobicContact CE1-SD 4.33Å; Y380-M384 HydrophobicContact CE2-CG 4.13Å; Y380-M384 HydrophobicContact CE2-SD 4.11Å; Y380-M384 WeakPolarHBondContact O-CG 3.36Å; Y380-M384 PolarHBondContact O-N 2.97Å; Y380-M384 WeakPolarHBondContact OH-CE 3.49Å; Y380-M384 PolarHBondContact OH-SD 3.16Å; Y380-G419 VanDerWaalsContact OH-CA 3.23Å; Y380-G419 WeakPolarHBondContact OH-CA 3.47Å; Y380-G419 PolarHBondContact OH-O 3Å; Y380-V420 HydrophobicContact CD1-CG2 4.39Å; Y380-V420 HydrophobicContact CE1-CB 4.45Å; Y380-V420 HydrophobicContact CE1-CG2 3.41Å; Y380-V420 VanDerWaalsContact CE1-CG2 3.41Å; Y380-V420 WeakPolarHBondContact OH-CA 3.45Å; Y380-V420 PolarHBondContact OH-N 2.68Å; Y380-A423 HydrophobicContact CD2-CB 3.61Å; Y380-A423 HydrophobicContact CE2-CB 3.62Å; Y380-A423 HydrophobicContact CG-CB 4.12Å; Y380-L501 HydrophobicContact CD2-CD1 4.41Å; Y380-L501 HydrophobicContact CD2-CD2 4.28Å |
| 381 | V | 90.7 | Very high | 90 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 30% | 0.303 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | F365 A377 L378 C383 M384 T385 | F365-V381 HydrophobicContact CD2-CG2 3.76Å; F365-V381 HydrophobicContact CE2-CG2 4.31Å; A377-V381 WeakPolarHBondContact O-CG2 3.41Å; A377-V381 PolarHBondContact O-N 2.77Å; L378-V381 PolarHBondContact O-N 3.46Å; V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3Å; V381-M384 PolarHBondContact O-N 2.77Å; V381-T385 WeakPolarHBondContact O-CG2 3.46Å; V381-T385 PolarHBondContact O-N 3.18Å; V381-T385 PolarHBondContact O-OG1 3.13Å |
| 382 | I | 91.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 29% | 0.292 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 174.8 | -66.4 | 166.7 | 0 | 0 | 0 | 111.3 | F17 L378 L379 Y380 M384 T385 F386 W500 | F17-I382 HydrophobicContact CD2-CG2 4.46Å; F17-I382 HydrophobicContact CE2-CG2 4.31Å; L378-I382 WeakPolarHBondContact O-CG1 3.35Å; L378-I382 PolarHBondContact O-N 2.91Å; L378-I382 VanDerWaalsContact O-N 3.11Å; L379-I382 PolarHBondContact O-N 2.82Å; Y380-I382 VanDerWaalsContact C-N 3.27Å; Y380-I382 PolarHBondContact O-N 3.47Å; I382-M384 VanDerWaalsContact C-N 3.29Å; I382-M384 PolarHBondContact O-N 2.83Å; I382-T385 PolarHBondContact O-N 2.63Å; I382-T385 PolarHBondContact O-OG1 3.44Å; I382-F386 HydrophobicContact CG2-CD2 3.79Å; I382-F386 HydrophobicContact CG2-CE2 3.4Å; I382-F386 VanDerWaalsContact CG2-CE2 3.4Å; I382-F386 HydrophobicContact CG2-CZ 3.84Å; I382-F386 WeakPolarHBondContact O-CG 3.33Å; I382-F386 PolarHBondContact O-N 3.47Å; I382-F386 VanDerWaalsContact O-N 3.11Å; I382-W500 HydrophobicContact CB-CZ2 4.39Å; I382-W500 HydrophobicContact CG2-CZ2 3.87Å |
| 383 | C | 92.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 175.8 | -163.3 | 0 | 0 | 0 | 0 | 111.2 | L379 Y380 V381 F386 S387 | L379-C383 PolarHBondContact O-N 3.44Å; L379-C383 VanDerWaalsContact O-N 3.07Å; Y380-C383 WeakPolarHBondContact O-CA 3.39Å; Y380-C383 WeakPolarHBondContact O-CB 3.42Å; Y380-C383 PolarHBondContact O-N 3.31Å; V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3Å; C383-F386 PolarHBondContact O-N 3.48Å; C383-S387 WeakPolarHBondContact O-CB 3.33Å; C383-S387 PolarHBondContact O-N 3.23Å; C383-S387 PolarHBondContact O-OG 3.36Å |
| 384 | M | 91.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -44.4 | -178.8 | -65.2 | -66.1 | -107.7 | 0 | 0 | 112.6 | Y380 V381 I382 F386 S387 F388 L415 N493 | Y380-M384 HydrophobicContact CD1-CG 4.34Å; Y380-M384 HydrophobicContact CE1-CE 4.02Å; Y380-M384 HydrophobicContact CE1-CG 3.79Å; Y380-M384 HydrophobicContact CE1-SD 4.33Å; Y380-M384 HydrophobicContact CE2-CG 4.13Å; Y380-M384 HydrophobicContact CE2-SD 4.11Å; Y380-M384 WeakPolarHBondContact O-CG 3.36Å; Y380-M384 PolarHBondContact O-N 2.97Å; Y380-M384 WeakPolarHBondContact OH-CE 3.49Å; Y380-M384 PolarHBondContact OH-SD 3.16Å; V381-M384 PolarHBondContact O-N 2.77Å; I382-M384 VanDerWaalsContact C-N 3.29Å; I382-M384 PolarHBondContact O-N 2.83Å; M384-F386 PolarHBondContact O-N 3.42Å; M384-S387 PolarHBondContact O-N 3.15Å; M384-F388 PolarHBondContact O-N 3.31Å; M384-L415 HydrophobicContact CE-CB 4.46Å; M384-L415 HydrophobicContact CE-CD1 3.87Å; M384-L415 HydrophobicContact CE-CG 3.62Å; M384-L415 WeakPolarHBondContact CE-O 3.31Å; M384-L415 HydrophobicContact SD-CD1 3.76Å; M384-L415 HydrophobicContact SD-CD2 4.33Å; M384-L415 HydrophobicContact SD-CG 3.82Å; M384-N493 PolarHBondContact SD-OD1 3.28Å; M384-N493 VanDerWaalsContact SD-OD1 3.33Å |
| 385 | T | 91.4 | Very high | 92 | Very high | 79 Ų | 79 | 26 Ų | 26 | 49% | 0.485 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | V381 I382 F388 G389 | V381-T385 WeakPolarHBondContact O-CG2 3.46Å; V381-T385 PolarHBondContact O-N 3.18Å; V381-T385 PolarHBondContact O-OG1 3.13Å; I382-T385 PolarHBondContact O-N 2.63Å; I382-T385 PolarHBondContact O-OG1 3.44Å; T385-F388 PolarHBondContact O-N 2.98Å; T385-G389 PolarHBondContact O-N 3.41Å |
| 386 | F | 93.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.088 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | 174.2 | -68.4 | -18.1 | 0 | 0 | 0 | 112.9 | F17 C21 T24 I382 C383 M384 T390 L496 | F17-F386 AromaticContact CD2-CE2 3.53Å; F17-F386 HydrophobicContact CD2-CE2 3.53Å; F17-F386 AromaticContact CD2-CZ 3.74Å; F17-F386 HydrophobicContact CD2-CZ 3.74Å; F17-F386 AromaticContact CE2-CE2 3.88Å; F17-F386 HydrophobicContact CE2-CE2 3.88Å; F17-F386 AromaticContact CE2-CZ 3.64Å; F17-F386 HydrophobicContact CE2-CZ 3.64Å; F17-F386 HydrophobicContact CG-CE2 4.18Å; F17-F386 HydrophobicContact CG-CZ 4.38Å; F17-F386 HydrophobicContact CZ-CZ 4.21Å; C21-F386 VanDerWaalsContact SG-CZ 3.52Å; T24-F386 HydrophobicContact CG2-CD1 3.99Å; I382-F386 HydrophobicContact CG2-CD2 3.79Å; I382-F386 HydrophobicContact CG2-CE2 3.4Å; I382-F386 VanDerWaalsContact CG2-CE2 3.4Å; I382-F386 HydrophobicContact CG2-CZ 3.84Å; I382-F386 WeakPolarHBondContact O-CG 3.33Å; I382-F386 PolarHBondContact O-N 3.47Å; I382-F386 VanDerWaalsContact O-N 3.11Å; C383-F386 PolarHBondContact O-N 3.48Å; M384-F386 PolarHBondContact O-N 3.42Å; F386-T390 WeakPolarHBondContact O-CB 3.46Å; F386-T390 PolarHBondContact O-N 2.85Å; F386-T390 PolarHBondContact O-OG1 3.24Å; F386-L496 HydrophobicContact CB-CD1 4.15Å |
| 387 | S | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.5 | -58 | 0 | 0 | 0 | 0 | 111.6 | C383 M384 S391 N493 L496 | C383-S387 WeakPolarHBondContact O-CB 3.33Å; C383-S387 PolarHBondContact O-N 3.23Å; C383-S387 PolarHBondContact O-OG 3.36Å; M384-S387 PolarHBondContact O-N 3.15Å; S387-S391 WeakPolarHBondContact O-CB 3.44Å; S387-S391 PolarHBondContact O-N 3.23Å; S387-S391 VanDerWaalsContact O-N 3.1Å; S387-S391 PolarHBondContact O-OG 2.94Å; S387-N493 WeakPolarHBondContact OG-CA 3.37Å; S387-L496 VanDerWaalsContact OG-CD1 3.29Å; S387-L496 WeakPolarHBondContact OG-CD1 3.5Å |
| 388 | F | 93.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 32.6 Ų | 32.6 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 176.6 | -169.3 | -89.9 | 0 | 0 | 0 | 111.9 | M384 T385 S391 Y392 C411 I412 L415 F485 | M384-F388 PolarHBondContact O-N 3.31Å; T385-F388 PolarHBondContact O-N 2.98Å; F388-S391 PolarHBondContact O-N 3.04Å; F388-Y392 PolarHBondContact O-N 3.32Å; F388-C411 HydrophobicContact CE2-CB 4.35Å; F388-I412 HydrophobicContact CD2-CG1 4.03Å; F388-I412 HydrophobicContact CE1-CG1 4.43Å; F388-I412 HydrophobicContact CE2-CD1 4.31Å; F388-I412 HydrophobicContact CE2-CG1 3.41Å; F388-I412 VanDerWaalsContact CE2-CG1 3.41Å; F388-I412 HydrophobicContact CZ-CD1 4.04Å; F388-I412 HydrophobicContact CZ-CG1 3.65Å; F388-L415 HydrophobicContact CB-CD2 4.13Å; F388-L415 HydrophobicContact CD2-CD2 4.35Å; F388-F485 HydrophobicContact CD2-CE1 4.39Å; F388-F485 HydrophobicContact CD2-CZ 4.12Å; F388-F485 HydrophobicContact CE1-CZ 4.16Å; F388-F485 AromaticContact CE2-CE1 3.59Å; F388-F485 HydrophobicContact CE2-CE1 3.59Å; F388-F485 AromaticContact CE2-CZ 3.59Å; F388-F485 HydrophobicContact CE2-CZ 3.59Å; F388-F485 AromaticContact CZ-CE1 3.82Å; F388-F485 HydrophobicContact CZ-CE1 3.82Å; F388-F485 AromaticContact CZ-CZ 3.61Å; F388-F485 HydrophobicContact CZ-CZ 3.61Å |
| 389 | G | 93.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -36.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T385 S391 Y392 C393 | T385-G389 PolarHBondContact O-N 3.41Å; G389-S391 VanDerWaalsContact C-N 3.3Å; G389-S391 PolarHBondContact O-N 3.03Å; G389-Y392 PolarHBondContact O-N 3.1Å; G389-C393 PolarHBondContact O-N 3Å |
| 390 | T | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | L23 F386 Y392 C393 I394 | L23-T390 HydrophobicContact CB-CG2 4.19Å; L23-T390 HydrophobicContact CD1-CG2 3.7Å; L23-T390 HydrophobicContact CG-CG2 4.49Å; F386-T390 WeakPolarHBondContact O-CB 3.46Å; F386-T390 PolarHBondContact O-N 2.85Å; F386-T390 PolarHBondContact O-OG1 3.24Å; T390-Y392 VanDerWaalsContact C-N 3.35Å; T390-C393 WeakPolarHBondContact O-CB 3.41Å; T390-C393 PolarHBondContact O-N 3.45Å; T390-I394 HydrophobicContact CG2-CD1 4.19Å; T390-I394 WeakPolarHBondContact O-CG1 3.3Å; T390-I394 PolarHBondContact O-N 3.44Å |
| 391 | S | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -35.8 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | S387 F388 G389 C393 I394 Y395 T488 V489 C492 | S387-S391 WeakPolarHBondContact O-CB 3.44Å; S387-S391 PolarHBondContact O-N 3.23Å; S387-S391 VanDerWaalsContact O-N 3.1Å; S387-S391 PolarHBondContact O-OG 2.94Å; F388-S391 PolarHBondContact O-N 3.04Å; G389-S391 VanDerWaalsContact C-N 3.3Å; G389-S391 PolarHBondContact O-N 3.03Å; S391-C393 VanDerWaalsContact C-N 3.34Å; S391-I394 PolarHBondContact O-N 2.76Å; S391-Y395 VanDerWaalsContact O-CB 3.28Å; S391-Y395 WeakPolarHBondContact O-CB 3.4Å; S391-Y395 PolarHBondContact O-N 3.46Å; S391-T488 PolarHBondContact OG-O 3.17Å; S391-V489 VanDerWaalsContact CB-CG2 3.42Å; S391-V489 VanDerWaalsContact OG-CA 3.25Å; S391-V489 WeakPolarHBondContact OG-CA 3.45Å; S391-C492 VanDerWaalsContact OG-CB 3.29Å; S391-C492 WeakPolarHBondContact OG-CB 3.23Å; S391-C492 PolarHBondContact OG-SG 3.23Å; S391-C492 VanDerWaalsContact OG-SG 3.33Å |
| 392 | Y | 94.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 172.2 | -175.8 | -117.6 | 0 | 0 | 0 | 111.7 | P27 F388 G389 T390 Y395 S396 F404 | P27-Y392 HydrophobicContact CB-CD1 3.61Å; P27-Y392 HydrophobicContact CB-CE1 3.62Å; P27-Y392 HydrophobicContact CG-CD1 3.58Å; P27-Y392 HydrophobicContact CG-CE1 4.07Å; F388-Y392 PolarHBondContact O-N 3.32Å; G389-Y392 PolarHBondContact O-N 3.1Å; T390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-Y395 PolarHBondContact O-N 3.41Å; Y392-S396 PolarHBondContact O-N 3.21Å; Y392-S396 PolarHBondContact O-OG 3.5Å; Y392-S396 VanDerWaalsContact O-OG 3.07Å; Y392-F404 HydrophobicContact CD2-CD2 4.25Å; Y392-F404 HydrophobicContact CD2-CE2 4.03Å; Y392-F404 AromaticContact CE2-CD2 3.95Å; Y392-F404 HydrophobicContact CE2-CD2 3.95Å; Y392-F404 HydrophobicContact CE2-CE2 4.13Å |
| 393 | C | 94.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | L23 P27 G389 T390 S391 Y395 T397 | L23-C393 WeakPolarHBondContact O-CB 3.29Å; P27-C393 HydrophobicContact CG-CB 3.91Å; G389-C393 PolarHBondContact O-N 3Å; T390-C393 WeakPolarHBondContact O-CB 3.41Å; T390-C393 PolarHBondContact O-N 3.45Å; S391-C393 VanDerWaalsContact C-N 3.34Å; C393-Y395 VanDerWaalsContact C-N 3.3Å; C393-Y395 PolarHBondContact O-N 3.18Å; C393-T397 WeakPolarHBondContact O-CB 3.44Å; C393-T397 PolarHBondContact O-N 3.36Å; C393-T397 PolarHBondContact O-OG1 3.03Å; C393-T397 PolarHBondContact SG-OG1 3.49Å; C393-T397 VanDerWaalsContact SG-OG1 3.36Å |
| 394 | I | 94.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -61.3 | -41.7 | 176.4 | -64.3 | 167.3 | 0 | 0 | 0 | 110.7 | T390 S391 I398 C399 T488 | T390-I394 HydrophobicContact CG2-CD1 4.19Å; T390-I394 WeakPolarHBondContact O-CG1 3.3Å; T390-I394 PolarHBondContact O-N 3.44Å; S391-I394 PolarHBondContact O-N 2.76Å; I394-I398 HydrophobicContact CB-CD1 4.32Å; I394-I398 HydrophobicContact CG1-CD1 3.93Å; I394-I398 HydrophobicContact CG2-CB 4.49Å; I394-I398 HydrophobicContact CG2-CD1 4.39Å; I394-I398 WeakPolarHBondContact O-CB 3.36Å; I394-I398 PolarHBondContact O-N 2.97Å; I394-C399 PolarHBondContact O-N 3.33Å; I394-C399 PolarHBondContact O-SG 3.36Å; I394-T488 HydrophobicContact CG2-CG2 4.33Å |
| 395 | Y | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -65.6 | -50.9 | -179.7 | -179.1 | -89 | 0 | 0 | 0 | 112.8 | S391 Y392 C393 C399 V401 F403 F404 C481 L484 F485 | S391-Y395 VanDerWaalsContact O-CB 3.28Å; S391-Y395 WeakPolarHBondContact O-CB 3.4Å; S391-Y395 PolarHBondContact O-N 3.46Å; Y392-Y395 PolarHBondContact O-N 3.41Å; C393-Y395 VanDerWaalsContact C-N 3.3Å; C393-Y395 PolarHBondContact O-N 3.18Å; Y395-C399 WeakPolarHBondContact O-CB 3.37Å; Y395-V401 HydrophobicContact CD1-CB 4.28Å; Y395-V401 HydrophobicContact CE1-CB 3.81Å; Y395-V401 HydrophobicContact CE1-CG1 3.78Å; Y395-V401 HydrophobicContact CE2-CB 4.32Å; Y395-V401 HydrophobicContact CE2-CG1 4.23Å; Y395-V401 PolarHBondContact O-N 2.83Å; Y395-V401 VanDerWaalsContact OH-CG1 3.28Å; Y395-V401 WeakPolarHBondContact OH-CG1 3.35Å; Y395-F403 PolarHBondContact OH-O 3.16Å; Y395-F404 HydrophobicContact CD1-CD2 4.4Å; Y395-F404 HydrophobicContact CE1-CD2 4.05Å; Y395-C481 WeakPolarHBondContact OH-CB 3.29Å; Y395-C481 PolarHBondContact OH-SG 2.9Å; Y395-L484 HydrophobicContact CD2-CD2 4.02Å; Y395-L484 HydrophobicContact CD2-CG 4.19Å; Y395-L484 HydrophobicContact CE2-CB 4.46Å; Y395-L484 HydrophobicContact CE2-CD2 4.03Å; Y395-L484 HydrophobicContact CE2-CG 4.4Å; Y395-F485 HydrophobicContact CD2-CB 3.92Å; Y395-F485 HydrophobicContact CD2-CD2 4.09Å; Y395-F485 HydrophobicContact CD2-CG 4.44Å; Y395-F485 HydrophobicContact CE2-CB 4.06Å; Y395-F485 HydrophobicContact CG-CD2 4.1Å |
| 396 | S | 92 | Very high | 92.1 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -80.6 | -52.6 | -175.8 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | Y392 G400 | Y392-S396 PolarHBondContact O-N 3.21Å; Y392-S396 PolarHBondContact O-OG 3.5Å; Y392-S396 VanDerWaalsContact O-OG 3.07Å; S396-G400 WeakPolarHBondContact O-CA 3.3Å; S396-G400 PolarHBondContact O-N 3.31Å; S396-G400 VanDerWaalsContact O-N 3.12Å |
| 397 | T | 90.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -84.5 | -40.2 | -169.7 | 68 | 0 | 0 | 0 | 0 | 113.4 | I26 P27 C393 | I26-T397 HydrophobicContact CG2-CG2 4.23Å; P27-T397 HydrophobicContact CB-CG2 4.47Å; C393-T397 WeakPolarHBondContact O-CB 3.44Å; C393-T397 PolarHBondContact O-N 3.36Å; C393-T397 PolarHBondContact O-OG1 3.03Å; C393-T397 PolarHBondContact SG-OG1 3.49Å; C393-T397 VanDerWaalsContact SG-OG1 3.36Å |
| 398 | I | 91.1 | Very high | 91.7 | Very high | 123 Ų | 123 | 32.9 Ų | 32.9 | 63% | 0.631 | 18% | 0.183 | S | C | * | . | I | π-helix | trans | -86 | -47 | -176.5 | -54.8 | -178 | 0 | 0 | 0 | 110.6 | I394 G400 | I394-I398 HydrophobicContact CB-CD1 4.32Å; I394-I398 HydrophobicContact CG1-CD1 3.93Å; I394-I398 HydrophobicContact CG2-CB 4.49Å; I394-I398 HydrophobicContact CG2-CD1 4.39Å; I394-I398 WeakPolarHBondContact O-CB 3.36Å; I394-I398 PolarHBondContact O-N 2.97Å; I398-G400 VanDerWaalsContact C-N 3.33Å |
| 399 | C | 90.9 | Very high | 91.5 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 42% | 0.419 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.6 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | I394 Y395 V401 L484 | I394-C399 PolarHBondContact O-N 3.33Å; I394-C399 PolarHBondContact O-SG 3.36Å; Y395-C399 WeakPolarHBondContact O-CB 3.37Å; C399-V401 VanDerWaalsContact C-N 3.29Å; C399-V401 HydrophobicContact CB-CG2 3.93Å; C399-V401 PolarHBondContact O-N 3.01Å; C399-L484 HydrophobicContact CB-CD2 4.45Å |
| 400 | G | 89.2 | Confident | 91.2 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 56% | 0.557 | 18% | 0.177 | S | C | * | . | trans | 69.2 | 23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S396 I398 | S396-G400 WeakPolarHBondContact O-CA 3.3Å; S396-G400 PolarHBondContact O-N 3.31Å; S396-G400 VanDerWaalsContact O-N 3.12Å; I398-G400 VanDerWaalsContact C-N 3.33Å | ||
| 401 | V | 90 | Very high | 91 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | trans | -90.7 | 107.8 | -176.2 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | Y395 C399 L484 L651 | Y395-V401 HydrophobicContact CD1-CB 4.28Å; Y395-V401 HydrophobicContact CE1-CB 3.81Å; Y395-V401 HydrophobicContact CE1-CG1 3.78Å; Y395-V401 HydrophobicContact CE2-CB 4.32Å; Y395-V401 HydrophobicContact CE2-CG1 4.23Å; Y395-V401 PolarHBondContact O-N 2.83Å; Y395-V401 VanDerWaalsContact OH-CG1 3.28Å; Y395-V401 WeakPolarHBondContact OH-CG1 3.35Å; C399-V401 VanDerWaalsContact C-N 3.29Å; C399-V401 HydrophobicContact CB-CG2 3.93Å; C399-V401 PolarHBondContact O-N 3.01Å; V401-L484 HydrophobicContact CG2-CD2 4.21Å; V401-L651 HydrophobicContact CG1-CB 4.25Å; V401-L651 HydrophobicContact CG2-CD1 3.82Å | ||
| 402 | K | 86.6 | Confident | 90.7 | Very high | 173 Ų | 173 | 33.6 Ų | 33.6 | 75% | 0.752 | 19% | 0.185 | S | C | * | . | trans | -79.1 | -32.6 | -179.9 | -64.2 | -173.9 | 175.7 | -171.6 | 0 | 113.5 | F404 | K402-F404 PolarHBondContact O-N 3.37Š| ||
| 403 | F | 90.8 | Very high | 90.3 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.066 | 18% | 0.181 | C | C | . | . | trans | -77.2 | 123.2 | -177.8 | 178.6 | -115.9 | 0 | 0 | 0 | 110.8 | M41 Y395 P405 I477 V478 P653 Y654 | M41-F403 HydrophobicContact CB-CE2 4.14Å; M41-F403 HydrophobicContact CB-CZ 4.36Å; M41-F403 WeakPolarHBondContact O-CZ 3.18Å; Y395-F403 PolarHBondContact OH-O 3.16Å; F403-P405 HydrophobicContact CE1-CB 3.83Å; F403-P405 HydrophobicContact CE1-CG 4.11Å; F403-P405 HydrophobicContact CZ-CB 3.9Å; F403-I477 HydrophobicContact CD1-CG2 4.06Å; F403-I477 HydrophobicContact CE1-CG2 4.19Å; F403-V478 HydrophobicContact CE1-CG2 4.25Å; F403-P653 HydrophobicContact CB-CG 4.26Å; F403-P653 HydrophobicContact CD1-CG 3.89Å; F403-P653 HydrophobicContact CD2-CG 3.57Å; F403-P653 HydrophobicContact CE1-CG 4.11Å; F403-P653 HydrophobicContact CE2-CG 3.82Å; F403-P653 VanDerWaalsContact CG-CD 3.43Å; F403-P653 HydrophobicContact CG-CG 3.62Å; F403-P653 HydrophobicContact CZ-CG 4.09Å; F403-Y654 HydrophobicContact CD2-CE2 4.08Å | ||
| 404 | F | 91.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | trans | -121.9 | 99.1 | 177 | -171.4 | -92.2 | 0 | 0 | 0 | 109.6 | P34 F36 Y392 Y395 K402 N408 L409 F485 | P34-F404 HydrophobicContact CB-CB 3.72Å; P34-F404 HydrophobicContact CB-CD1 3.93Å; P34-F404 HydrophobicContact CB-CG 4.14Å; P34-F404 HydrophobicContact CG-CD1 4.02Å; P34-F404 HydrophobicContact CG-CG 4.48Å; F36-F404 AromaticContact CE1-CD1 3.98Å; F36-F404 HydrophobicContact CE1-CD1 3.98Å; F36-F404 WeakPolarHBondContact CE1-O 3.39Å; F36-F404 AromaticContact CZ-CD1 3.87Å; F36-F404 HydrophobicContact CZ-CD1 3.87Å; F36-F404 HydrophobicContact CZ-CE1 4.17Å; Y392-F404 HydrophobicContact CD2-CD2 4.25Å; Y392-F404 HydrophobicContact CD2-CE2 4.03Å; Y392-F404 AromaticContact CE2-CD2 3.95Å; Y392-F404 HydrophobicContact CE2-CD2 3.95Å; Y392-F404 HydrophobicContact CE2-CE2 4.13Å; Y395-F404 HydrophobicContact CD1-CD2 4.4Å; Y395-F404 HydrophobicContact CE1-CD2 4.05Å; K402-F404 PolarHBondContact O-N 3.37Å; F404-N408 HydrophobicContact CD1-CB 4.32Å; F404-N408 HydrophobicContact CD2-CB 4.23Å; F404-N408 WeakPolarHBondContact CD2-ND2 3.36Å; F404-N408 HydrophobicContact CE1-CB 3.7Å; F404-N408 HydrophobicContact CE2-CB 3.6Å; F404-N408 WeakPolarHBondContact CE2-ND2 3.37Å; F404-N408 HydrophobicContact CZ-CB 3.31Å; F404-L409 HydrophobicContact CE1-CD2 4.06Å; F404-L409 HydrophobicContact CE1-CG 4.42Å; F404-F485 HydrophobicContact CE2-CD1 4.36Å; F404-F485 HydrophobicContact CE2-CD2 4.48Å; F404-F485 HydrophobicContact CE2-CE1 4.15Å; F404-F485 HydrophobicContact CE2-CE2 4.29Å; F404-F485 HydrophobicContact CE2-CZ 4.13Å; F404-F485 HydrophobicContact CZ-CE1 4.22Å; F404-F485 HydrophobicContact CZ-CZ 4.4Å | ||
| 405 | P | 91.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -69.5 | 149.3 | -178.9 | 27.4 | -34.5 | 0 | 0 | 0 | 111.6 | F403 V407 N408 V478 C481 | F403-P405 HydrophobicContact CE1-CB 3.83Å; F403-P405 HydrophobicContact CE1-CG 4.11Å; F403-P405 HydrophobicContact CZ-CB 3.9Å; P405-V407 PolarHBondContact O-N 3.39Å; P405-V407 VanDerWaalsContact O-N 3.08Å; P405-N408 WeakPolarHBondContact O-CB 3.05Å; P405-N408 PolarHBondContact O-N 3.45Å; P405-V478 HydrophobicContact CB-CG1 4.16Å; P405-V478 HydrophobicContact CB-CG2 4.01Å; P405-V478 HydrophobicContact CG-CG1 4.45Å; P405-C481 HydrophobicContact CG-CB 3.86Å | ||
| 406 | F | 88.8 | Confident | 89.1 | Confident | 16 Ų | 16 | 32 Ų | 32 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -58.9 | -26 | 178.6 | 78 | -90.9 | 0 | 0 | 0 | 112.6 | F36 P39 F43 F346 L350 N408 L409 I899 A966 | F36-F406 HydrophobicContact CD1-CB 3.64Å; F36-F406 VanDerWaalsContact CE1-CA 3.48Å; F36-F406 HydrophobicContact CE1-CB 3.93Å; F36-F406 HydrophobicContact CG-CB 4.35Å; P39-F406 HydrophobicContact CB-CD1 4.42Å; P39-F406 HydrophobicContact CB-CE1 4.22Å; P39-F406 WeakPolarHBondContact O-CE1 3.27Å; F43-F406 HydrophobicContact CE2-CE1 4.2Å; F43-F406 HydrophobicContact CZ-CE1 4.27Å; F346-F406 HydrophobicContact CE1-CD1 4.47Å; F346-F406 HydrophobicContact CE1-CG 4.42Å; F346-F406 HydrophobicContact CZ-CD1 4.47Å; F346-F406 HydrophobicContact CZ-CD2 4.04Å; F346-F406 HydrophobicContact CZ-CE1 4.43Å; F346-F406 HydrophobicContact CZ-CE2 4Å; F346-F406 HydrophobicContact CZ-CG 4.28Å; F346-F406 HydrophobicContact CZ-CZ 4.2Å; L350-F406 HydrophobicContact CD1-CD2 4.44Å; L350-F406 HydrophobicContact CD2-CB 4.06Å; F406-N408 PolarHBondContact O-N 3.4Å; F406-L409 VanDerWaalsContact O-CB 3.24Å; F406-L409 WeakPolarHBondContact O-CB 3.29Å; F406-L409 WeakPolarHBondContact O-CG 3.43Å; F406-L409 PolarHBondContact O-N 3.19Å; F406-I899 HydrophobicContact CE2-CD1 4.42Å; F406-I899 HydrophobicContact CZ-CD1 4.18Å; F406-A966 HydrophobicContact CE2-CB 3.98Å |
| 407 | V | 88.7 | Confident | 88.6 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57.9 | -28.1 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | P405 L409 L410 V478 F482 I899 | P405-V407 PolarHBondContact O-N 3.39Å; P405-V407 VanDerWaalsContact O-N 3.08Å; V407-L409 PolarHBondContact O-N 3.3Å; V407-L410 HydrophobicContact CB-CD1 4.31Å; V407-L410 HydrophobicContact CG1-CD1 3.75Å; V407-L410 WeakPolarHBondContact O-CB 3.16Å; V407-L410 VanDerWaalsContact O-CG 3.22Å; V407-L410 WeakPolarHBondContact O-CG 3.39Å; V407-L410 PolarHBondContact O-N 3.25Å; V407-V478 HydrophobicContact CB-CG1 4.06Å; V407-V478 HydrophobicContact CG2-CG1 3.69Å; V407-F482 HydrophobicContact CG1-CB 4.44Å; V407-F482 HydrophobicContact CG1-CD2 3.77Å; V407-F482 HydrophobicContact CG1-CE2 4.24Å; V407-F482 HydrophobicContact CG1-CG 4.14Å; V407-I899 HydrophobicContact CG2-CG1 4.41Å |
| 408 | N | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -67.2 | -21.9 | 175.3 | -71.7 | 1 | 0 | 0 | 0 | 113.2 | F404 P405 F406 L410 C411 F482 F485 | F404-N408 HydrophobicContact CD1-CB 4.32Å; F404-N408 HydrophobicContact CD2-CB 4.23Å; F404-N408 WeakPolarHBondContact CD2-ND2 3.36Å; F404-N408 HydrophobicContact CE1-CB 3.7Å; F404-N408 HydrophobicContact CE2-CB 3.6Å; F404-N408 WeakPolarHBondContact CE2-ND2 3.37Å; F404-N408 HydrophobicContact CZ-CB 3.31Å; P405-N408 WeakPolarHBondContact O-CB 3.05Å; P405-N408 PolarHBondContact O-N 3.45Å; F406-N408 PolarHBondContact O-N 3.4Å; N408-L410 PolarHBondContact O-N 2.97Å; N408-C411 VanDerWaalsContact O-CB 3.23Å; N408-C411 WeakPolarHBondContact O-CB 3.15Å; N408-C411 PolarHBondContact O-N 3.28Å; N408-C411 VanDerWaalsContact O-N 3.15Å; N408-F482 VanDerWaalsContact OD1-CA 3.25Å; N408-F482 WeakPolarHBondContact OD1-CA 3.29Å; N408-F485 HydrophobicContact CB-CD1 3.73Å; N408-F485 HydrophobicContact CB-CE1 4.14Å; N408-F485 HydrophobicContact CB-CG 4.5Å |
| 409 | L | 88.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 24.7 Ų | 24.7 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -65.4 | -25.5 | 172.7 | -60.7 | 175.1 | 0 | 0 | 0 | 111.5 | F36 L350 F404 F406 V407 C411 I412 | F36-L409 HydrophobicContact CE2-CD1 4.1Å; F36-L409 HydrophobicContact CZ-CD1 3.96Å; F36-L409 HydrophobicContact CZ-CD2 4.4Å; F36-L409 HydrophobicContact CZ-CG 4.24Å; L350-L409 HydrophobicContact CD2-CD1 3.95Å; L350-L409 HydrophobicContact CG-CD1 4.33Å; F404-L409 HydrophobicContact CE1-CD2 4.06Å; F404-L409 HydrophobicContact CE1-CG 4.42Å; F406-L409 VanDerWaalsContact O-CB 3.24Å; F406-L409 WeakPolarHBondContact O-CB 3.29Å; F406-L409 WeakPolarHBondContact O-CG 3.43Å; F406-L409 PolarHBondContact O-N 3.19Å; V407-L409 PolarHBondContact O-N 3.3Å; L409-C411 PolarHBondContact O-N 3.19Å; L409-I412 WeakPolarHBondContact O-CB 3.13Å; L409-I412 WeakPolarHBondContact O-CG1 3.43Å; L409-I412 PolarHBondContact O-N 2.88Å; L409-I412 VanDerWaalsContact O-N 3.12Å |
| 410 | L | 86.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -23.9 | 176 | -51.7 | 173.2 | 0 | 0 | 0 | 112 | V407 N408 I412 I413 L414 A966 Y967 I970 | V407-L410 HydrophobicContact CB-CD1 4.31Å; V407-L410 HydrophobicContact CG1-CD1 3.75Å; V407-L410 WeakPolarHBondContact O-CB 3.16Å; V407-L410 VanDerWaalsContact O-CG 3.22Å; V407-L410 WeakPolarHBondContact O-CG 3.39Å; V407-L410 PolarHBondContact O-N 3.25Å; N408-L410 PolarHBondContact O-N 2.97Å; L410-I412 PolarHBondContact O-N 2.86Å; L410-I413 PolarHBondContact O-N 2.99Å; L410-I413 VanDerWaalsContact O-N 3.13Å; L410-L414 PolarHBondContact O-N 3.32Å; L410-L414 VanDerWaalsContact O-N 3.14Å; L410-A966 HydrophobicContact CD1-CB 4.41Å; L410-A966 HydrophobicContact CD2-CB 4.49Å; L410-Y967 HydrophobicContact CD2-CD1 3.28Å; L410-Y967 HydrophobicContact CD2-CE1 3.39Å; L410-I970 HydrophobicContact CB-CD1 3.46Å; L410-I970 VanDerWaalsContact CB-CD1 3.46Å; L410-I970 HydrophobicContact CD1-CD1 3.33Å; L410-I970 HydrophobicContact CD1-CG1 4.43Å; L410-I970 HydrophobicContact CD2-CD1 3.86Å; L410-I970 HydrophobicContact CG-CD1 3.68Å |
| 411 | C | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -26.2 | 173.7 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | F388 N408 L409 I413 L415 F482 F485 | F388-C411 HydrophobicContact CE2-CB 4.35Å; N408-C411 VanDerWaalsContact O-CB 3.23Å; N408-C411 WeakPolarHBondContact O-CB 3.15Å; N408-C411 PolarHBondContact O-N 3.28Å; N408-C411 VanDerWaalsContact O-N 3.15Å; L409-C411 PolarHBondContact O-N 3.19Å; C411-I413 VanDerWaalsContact C-N 3.32Å; C411-I413 PolarHBondContact O-N 3.4Å; C411-L415 WeakPolarHBondContact O-CB 3.46Å; C411-L415 PolarHBondContact O-N 3.48Å; C411-F482 WeakPolarHBondContact SG-CE2 3.27Å; C411-F485 HydrophobicContact CB-CD1 4.13Å; C411-F485 HydrophobicContact CB-CE1 3.94Å |
| 412 | I | 89.3 | Confident | 87.4 | Confident | 46 Ų | 46 | 19.4 Ų | 19.4 | 24% | 0.236 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 176 | -61.6 | 172.4 | 0 | 0 | 0 | 109.8 | V357 F388 L409 L410 V416 | V357-I412 HydrophobicContact CG1-CG2 3.98Å; F388-I412 HydrophobicContact CD2-CG1 4.03Å; F388-I412 HydrophobicContact CE1-CG1 4.43Å; F388-I412 HydrophobicContact CE2-CD1 4.31Å; F388-I412 HydrophobicContact CE2-CG1 3.41Å; F388-I412 VanDerWaalsContact CE2-CG1 3.41Å; F388-I412 HydrophobicContact CZ-CD1 4.04Å; F388-I412 HydrophobicContact CZ-CG1 3.65Å; L409-I412 WeakPolarHBondContact O-CB 3.13Å; L409-I412 WeakPolarHBondContact O-CG1 3.43Å; L409-I412 PolarHBondContact O-N 2.88Å; L409-I412 VanDerWaalsContact O-N 3.12Å; L410-I412 PolarHBondContact O-N 2.86Å; I412-V416 WeakPolarHBondContact O-CB 3.45Å; I412-V416 WeakPolarHBondContact O-CG2 3.5Å; I412-V416 PolarHBondContact O-N 2.89Å |
| 413 | I | 86 | Confident | 87.4 | Confident | 10 Ų | 10 | 11.2 Ų | 11.2 | 5% | 0.051 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.6 | -46.1 | -178.6 | -57.8 | 158.8 | 0 | 0 | 0 | 110.1 | V357 L410 C411 L415 V416 G417 M959 Y967 I970 | V357-I413 HydrophobicContact CG1-CG1 3.97Å; V357-I413 HydrophobicContact CG2-CD1 3.97Å; V357-I413 HydrophobicContact CG2-CG1 4Å; L410-I413 PolarHBondContact O-N 2.99Å; L410-I413 VanDerWaalsContact O-N 3.13Å; C411-I413 VanDerWaalsContact C-N 3.32Å; C411-I413 PolarHBondContact O-N 3.4Å; I413-L415 PolarHBondContact O-N 3.26Å; I413-V416 PolarHBondContact O-N 3.27Å; I413-G417 PolarHBondContact O-N 3.47Å; I413-M959 HydrophobicContact CD1-CE 3.42Å; I413-M959 VanDerWaalsContact CD1-CE 3.42Å; I413-M959 HydrophobicContact CD1-CG 4.34Å; I413-M959 HydrophobicContact CD1-SD 3.9Å; I413-M959 HydrophobicContact CG1-CE 4.34Å; I413-M959 HydrophobicContact CG1-SD 4.23Å; I413-M959 HydrophobicContact CG2-CG 4.3Å; I413-Y967 HydrophobicContact CD1-CD1 3.94Å; I413-Y967 HydrophobicContact CD1-CE1 4.22Å; I413-I970 HydrophobicContact CG2-CG2 4.47Å |
| 414 | L | 85.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 10.5 Ų | 10.5 | 4% | 0.037 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.9 | -68.9 | 172.9 | 0 | 0 | 0 | 111.3 | L410 V416 G417 V418 F468 F482 L906 L910 M974 | L410-L414 PolarHBondContact O-N 3.32Å; L410-L414 VanDerWaalsContact O-N 3.14Å; L414-V416 PolarHBondContact O-N 3.26Å; L414-G417 PolarHBondContact O-N 2.82Å; L414-V418 VanDerWaalsContact O-CB 3.31Å; L414-V418 WeakPolarHBondContact O-CB 3.42Å; L414-V418 VanDerWaalsContact O-CG2 3.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.1Å; L414-V418 PolarHBondContact O-N 2.72Å; L414-F468 HydrophobicContact CD1-CZ 4.44Å; L414-F482 HydrophobicContact CD1-CE2 4.48Å; L414-F482 HydrophobicContact CD1-CZ 3.93Å; L414-L906 HydrophobicContact CD1-CD1 3.94Å; L414-L906 HydrophobicContact CD1-CD2 4Å; L414-L906 HydrophobicContact CD2-CD1 4.23Å; L414-L906 HydrophobicContact CD2-CD2 3.61Å; L414-L906 HydrophobicContact CG-CD2 4.48Å; L414-L910 HydrophobicContact CD2-CD1 4.49Å; L414-M974 HydrophobicContact CD2-SD 3.76Å |
| 415 | L | 87.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 10.7 Ų | 10.7 | 7% | 0.073 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.4 | -52 | 176.7 | 179.7 | 58.8 | 0 | 0 | 0 | 109.7 | M384 F388 C411 I413 G417 V418 G419 V489 N493 | M384-L415 HydrophobicContact CE-CB 4.46Å; M384-L415 HydrophobicContact CE-CD1 3.87Å; M384-L415 HydrophobicContact CE-CG 3.62Å; M384-L415 WeakPolarHBondContact CE-O 3.31Å; M384-L415 HydrophobicContact SD-CD1 3.76Å; M384-L415 HydrophobicContact SD-CD2 4.33Å; M384-L415 HydrophobicContact SD-CG 3.82Å; F388-L415 HydrophobicContact CB-CD2 4.13Å; F388-L415 HydrophobicContact CD2-CD2 4.35Å; C411-L415 WeakPolarHBondContact O-CB 3.46Å; C411-L415 PolarHBondContact O-N 3.48Å; I413-L415 PolarHBondContact O-N 3.26Å; L415-G417 VanDerWaalsContact C-N 3.32Å; L415-G417 PolarHBondContact O-N 2.92Å; L415-V418 PolarHBondContact O-N 2.87Å; L415-G419 PolarHBondContact O-N 2.95Å; L415-V489 HydrophobicContact CB-CG1 4.25Å; L415-V489 HydrophobicContact CD1-CG1 3.79Å; L415-V489 HydrophobicContact CD2-CG1 3.78Å; L415-V489 HydrophobicContact CG-CG1 4.12Å; L415-N493 HydrophobicContact CD1-CB 3.93Å |
| 416 | V | 85.5 | Confident | 87 | Confident | 23 Ų | 23 | 10.7 Ų | 10.7 | 14% | 0.139 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | -177.8 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | V361 I364 I412 I413 L414 V420 | V361-V416 HydrophobicContact CG2-CB 4.48Å; V361-V416 HydrophobicContact CG2-CG1 4.1Å; V361-V416 HydrophobicContact CG2-CG2 3.84Å; I364-V416 HydrophobicContact CB-CG1 4.32Å; I364-V416 HydrophobicContact CD1-CG1 3.64Å; I364-V416 HydrophobicContact CG2-CG1 4.16Å; I412-V416 WeakPolarHBondContact O-CB 3.45Å; I412-V416 WeakPolarHBondContact O-CG2 3.5Å; I412-V416 PolarHBondContact O-N 2.89Å; I413-V416 PolarHBondContact O-N 3.27Å; L414-V416 PolarHBondContact O-N 3.26Å; V416-V420 WeakPolarHBondContact O-CG2 3.47Å |
| 417 | G | 81.4 | Confident | 86.9 | Confident | 2 Ų | 2 | 11.3 Ų | 11.3 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.4 | -60.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I413 L414 L415 V420 | I413-G417 PolarHBondContact O-N 3.47Å; L414-G417 PolarHBondContact O-N 2.82Å; L415-G417 VanDerWaalsContact C-N 3.32Å; L415-G417 PolarHBondContact O-N 2.92Å; G417-V420 PolarHBondContact O-N 3.33Å |
| 418 | V | 81.2 | Confident | 86.8 | Confident | 27 Ų | 27 | 13.5 Ų | 13.5 | 16% | 0.164 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.5 | -41 | -169 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | L414 L415 V420 D421 L910 | L414-V418 VanDerWaalsContact O-CB 3.31Å; L414-V418 WeakPolarHBondContact O-CB 3.42Å; L414-V418 VanDerWaalsContact O-CG2 3.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.1Å; L414-V418 PolarHBondContact O-N 2.72Å; L415-V418 PolarHBondContact O-N 2.87Å; V418-V420 PolarHBondContact O-N 2.79Å; V418-D421 VanDerWaalsContact O-CB 3.28Å; V418-D421 WeakPolarHBondContact O-CB 3.33Å; V418-D421 PolarHBondContact O-N 3.21Å; V418-L910 HydrophobicContact CB-CD2 4.27Å; V418-L910 HydrophobicContact CG1-CD2 3.79Å; V418-L910 HydrophobicContact CG2-CD1 3.95Å; V418-L910 HydrophobicContact CG2-CD2 3.42Å; V418-L910 VanDerWaalsContact CG2-CD2 3.42Å; V418-L910 HydrophobicContact CG2-CG 4.35Å |
| 419 | G | 83.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.3 | -25.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y380 L415 D421 D422 A423 | Y380-G419 VanDerWaalsContact OH-CA 3.23Å; Y380-G419 WeakPolarHBondContact OH-CA 3.47Å; Y380-G419 PolarHBondContact OH-O 3Å; L415-G419 PolarHBondContact O-N 2.95Å; G419-D421 PolarHBondContact O-N 3.02Å; G419-D422 PolarHBondContact O-N 3.43Å; G419-A423 PolarHBondContact O-N 3.45Å |
| 420 | V | 87.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.6 | -25.5 | -176.7 | 164.5 | 0 | 0 | 0 | 0 | 110.4 | I364 V368 Y380 V416 G417 V418 A423 F424 | I364-V420 HydrophobicContact CG2-CG2 3.72Å; V368-V420 HydrophobicContact CG2-CG1 3.76Å; V368-V420 HydrophobicContact CG2-CG2 4.27Å; Y380-V420 HydrophobicContact CD1-CG2 4.39Å; Y380-V420 HydrophobicContact CE1-CB 4.45Å; Y380-V420 HydrophobicContact CE1-CG2 3.41Å; Y380-V420 VanDerWaalsContact CE1-CG2 3.41Å; Y380-V420 WeakPolarHBondContact OH-CA 3.45Å; Y380-V420 PolarHBondContact OH-N 2.68Å; V416-V420 WeakPolarHBondContact O-CG2 3.47Å; G417-V420 PolarHBondContact O-N 3.33Å; V418-V420 PolarHBondContact O-N 2.79Å; V420-A423 WeakPolarHBondContact O-CB 3.24Å; V420-A423 PolarHBondContact O-N 3.42Å; V420-F424 HydrophobicContact CG1-CD2 3.63Å; V420-F424 HydrophobicContact CG1-CE1 4.35Å; V420-F424 HydrophobicContact CG1-CE2 3.19Å; V420-F424 HydrophobicContact CG1-CG 4.38Å; V420-F424 HydrophobicContact CG1-CZ 3.6Å; V420-F424 WeakPolarHBondContact O-CD2 3.46Å; V420-F424 PolarHBondContact O-N 3.47Å |
| 421 | D | 87.2 | Confident | 86.3 | Confident | 7 Ų | 7 | 17.5 Ų | 17.5 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 176 | -60.3 | -4.9 | 0 | 0 | 0 | 110.4 | V418 G419 A423 F424 I425 S948 | V418-D421 VanDerWaalsContact O-CB 3.28Å; V418-D421 WeakPolarHBondContact O-CB 3.33Å; V418-D421 PolarHBondContact O-N 3.21Å; G419-D421 PolarHBondContact O-N 3.02Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 2.71Å; D421-F424 PolarHBondContact O-N 3.14Å; D421-I425 WeakPolarHBondContact O-CD1 3.37Å; D421-I425 VanDerWaalsContact O-CG1 3.29Å; D421-I425 WeakPolarHBondContact O-CG1 3.2Å; D421-I425 PolarHBondContact O-N 2.82Å; D421-S948 WeakPolarHBondContact OD1-CB 3.34Å; D421-S948 PolarHBondContact OD1-OG 3.05Å; D421-S948 PolarHBondContact OD2-OG 3.38Å |
| 422 | D | 85.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 4% | 0.043 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.2 | -71 | -24.1 | 0 | 0 | 0 | 111.4 | G419 I425 F426 M457 T460 S461 | G419-D422 PolarHBondContact O-N 3.43Å; D422-I425 PolarHBondContact O-N 3.5Å; D422-F426 WeakPolarHBondContact O-CB 3.32Å; D422-F426 PolarHBondContact O-N 3.03Å; D422-M457 HydrophobicContact CB-CG 4.02Å; D422-M457 HydrophobicContact CB-SD 4.43Å; D422-M457 WeakPolarHBondContact O-CE 3.31Å; D422-M457 WeakPolarHBondContact OD1-CG 3.46Å; D422-T460 PolarHBondContact OD1-OG1 3.45Å; D422-S461 PolarHBondContact OD2-OG 3.12Å |
| 423 | A | 87.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y376 Y380 G419 V420 D421 F426 H427 | Y376-A423 HydrophobicContact CE1-CB 4.19Å; Y376-A423 PolarHBondContact OH-O 2.88Å; Y380-A423 HydrophobicContact CD2-CB 3.61Å; Y380-A423 HydrophobicContact CE2-CB 3.62Å; Y380-A423 HydrophobicContact CG-CB 4.12Å; G419-A423 PolarHBondContact O-N 3.45Å; V420-A423 WeakPolarHBondContact O-CB 3.24Å; V420-A423 PolarHBondContact O-N 3.42Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 2.71Å; A423-F426 PolarHBondContact O-N 3.34Å; A423-H427 WeakPolarHBondContact O-CB 3.27Å; A423-H427 PolarHBondContact O-N 3.35Å |
| 424 | F | 88.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.8 | -72.4 | -39.6 | 0 | 0 | 0 | 112.5 | V368 Y371 T372 V420 D421 H428 P944 M947 T951 | V368-F424 HydrophobicContact CB-CE1 4.41Å; V368-F424 HydrophobicContact CG1-CE1 4.43Å; V368-F424 HydrophobicContact CG2-CE1 3.99Å; V368-F424 HydrophobicContact CG2-CZ 3.79Å; Y371-F424 AromaticContact CD1-CD1 3.42Å; Y371-F424 HydrophobicContact CD1-CD1 3.42Å; Y371-F424 VanDerWaalsContact CD1-CD1 3.42Å; Y371-F424 AromaticContact CD1-CE1 3.59Å; Y371-F424 HydrophobicContact CD1-CE1 3.59Å; Y371-F424 HydrophobicContact CD1-CG 4.45Å; Y371-F424 AromaticContact CE1-CD1 3.79Å; Y371-F424 HydrophobicContact CE1-CD1 3.79Å; Y371-F424 HydrophobicContact CE1-CE1 4.38Å; Y371-F424 HydrophobicContact CE1-CG 4.47Å; Y371-F424 HydrophobicContact CG-CD1 4.27Å; Y371-F424 HydrophobicContact CG-CE1 4.04Å; T372-F424 HydrophobicContact CG2-CD1 4.48Å; V420-F424 HydrophobicContact CG1-CD2 3.63Å; V420-F424 HydrophobicContact CG1-CE1 4.35Å; V420-F424 HydrophobicContact CG1-CE2 3.19Å; V420-F424 HydrophobicContact CG1-CG 4.38Å; V420-F424 HydrophobicContact CG1-CZ 3.6Å; V420-F424 WeakPolarHBondContact O-CD2 3.46Å; V420-F424 PolarHBondContact O-N 3.47Å; D421-F424 PolarHBondContact O-N 3.14Å; F424-H428 VanDerWaalsContact O-CB 3.27Å; F424-H428 WeakPolarHBondContact O-CB 3.17Å; F424-H428 PolarHBondContact O-N 3.5Å; F424-P944 HydrophobicContact CB-CB 4.14Å; F424-M947 HydrophobicContact CD2-CB 4.39Å; F424-M947 HydrophobicContact CD2-CG 4.44Å; F424-M947 HydrophobicContact CE1-CG 4.26Å; F424-M947 HydrophobicContact CE2-CB 4.15Å; F424-M947 HydrophobicContact CE2-CG 3.78Å; F424-M947 HydrophobicContact CZ-CB 4.48Å; F424-M947 HydrophobicContact CZ-CG 3.69Å; F424-T951 HydrophobicContact CE2-CG2 3.94Å; F424-T951 HydrophobicContact CZ-CG2 4.04Å |
| 425 | I | 86.2 | Confident | 85 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 9% | 0.092 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.3 | -44.2 | 178.5 | -66.1 | 158.7 | 0 | 0 | 0 | 110.5 | D421 D422 H427 H428 A429 M457 H917 | D421-I425 WeakPolarHBondContact O-CD1 3.37Å; D421-I425 VanDerWaalsContact O-CG1 3.29Å; D421-I425 WeakPolarHBondContact O-CG1 3.2Å; D421-I425 PolarHBondContact O-N 2.82Å; D422-I425 PolarHBondContact O-N 3.5Å; I425-H427 PolarHBondContact O-N 2.81Å; I425-H428 PolarHBondContact O-N 3.38Å; I425-A429 VanDerWaalsContact O-CB 3.32Å; I425-A429 WeakPolarHBondContact O-CB 3.31Å; I425-A429 PolarHBondContact O-N 3.29Å; I425-M457 HydrophobicContact CB-CE 4.02Å; I425-M457 HydrophobicContact CG2-CE 3.8Å; I425-H917 WeakPolarHBondContact CD1-CE1 3.47Å; I425-H917 VanDerWaalsContact CD1-ND1 3.27Å; I425-H917 WeakPolarHBondContact CD1-ND1 3.35Å; I425-H917 VanDerWaalsContact CD1-NE2 3.28Å; I425-H917 WeakPolarHBondContact CD1-NE2 2.95Å |
| 426 | F | 88.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 177.4 | -176.8 | -100 | 0 | 0 | 0 | 110.6 | Y376 D422 A423 H428 A429 W430 M450 M457 L501 P502 T505 | Y376-F426 HydrophobicContact CE2-CD1 4.29Å; D422-F426 WeakPolarHBondContact O-CB 3.32Å; D422-F426 PolarHBondContact O-N 3.03Å; A423-F426 PolarHBondContact O-N 3.34Å; F426-H428 VanDerWaalsContact C-N 3.34Å; F426-H428 PolarHBondContact O-N 3.27Å; F426-A429 PolarHBondContact O-N 2.93Å; F426-W430 HydrophobicContact CE1-CE3 4.28Å; F426-W430 AromaticContact CZ-CE3 3.81Å; F426-W430 HydrophobicContact CZ-CE3 3.81Å; F426-W430 HydrophobicContact CZ-CZ3 4.34Å; F426-W430 VanDerWaalsContact O-CB 3.31Å; F426-W430 WeakPolarHBondContact O-CB 3.23Å; F426-W430 PolarHBondContact O-N 3Å; F426-M450 HydrophobicContact CE2-CG 4.08Å; F426-M450 HydrophobicContact CE2-SD 4.35Å; F426-M457 HydrophobicContact CB-CE 3.4Å; F426-M457 VanDerWaalsContact CB-CE 3.4Å; F426-M457 HydrophobicContact CB-SD 4.37Å; F426-M457 HydrophobicContact CD2-CE 4.12Å; F426-M457 HydrophobicContact CG-CE 4.27Å; F426-L501 HydrophobicContact CD1-CB 4.32Å; F426-L501 HydrophobicContact CE1-CB 4.34Å; F426-P502 HydrophobicContact CE2-CB 4.29Å; F426-P502 HydrophobicContact CE2-CG 3.7Å; F426-P502 HydrophobicContact CZ-CB 3.87Å; F426-P502 HydrophobicContact CZ-CG 3.69Å; F426-T505 HydrophobicContact CE1-CG2 4.1Å |
| 427 | H | 88.2 | Confident | 83.2 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | -179.4 | -175.7 | 71.5 | 0 | 0 | 0 | 111.7 | T372 Y376 A423 I425 W430 M431 | T372-H427 HydrophobicContact CG2-CB 4.15Å; T372-H427 VanDerWaalsContact CG2-CD2 3.43Å; T372-H427 WeakPolarHBondContact CG2-CD2 3.1Å; Y376-H427 HydrophobicContact CE1-CB 4.1Å; A423-H427 WeakPolarHBondContact O-CB 3.27Å; A423-H427 PolarHBondContact O-N 3.35Å; I425-H427 PolarHBondContact O-N 2.81Å; H427-W430 PolarHBondContact O-N 3.11Å; H427-M431 WeakPolarHBondContact O-CB 3.26Å; H427-M431 VanDerWaalsContact O-CG 3.29Å; H427-M431 WeakPolarHBondContact O-CG 3.41Å; H427-M431 PolarHBondContact O-N 3.49Å |
| 428 | H | 86 | Confident | 81.9 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 178.9 | -176.2 | -86.9 | 0 | 0 | 0 | 112.1 | F424 I425 F426 W430 M431 T432 K940 P944 | F424-H428 VanDerWaalsContact O-CB 3.27Å; F424-H428 WeakPolarHBondContact O-CB 3.17Å; F424-H428 PolarHBondContact O-N 3.5Å; I425-H428 PolarHBondContact O-N 3.38Å; F426-H428 VanDerWaalsContact C-N 3.34Å; F426-H428 PolarHBondContact O-N 3.27Å; H428-W430 VanDerWaalsContact C-N 3.3Å; H428-W430 PolarHBondContact O-N 2.97Å; H428-M431 PolarHBondContact O-N 3.42Å; H428-T432 PolarHBondContact CE1-OG1 2.92Å; H428-T432 WeakPolarHBondContact O-CB 3.32Å; H428-T432 PolarHBondContact O-N 3.01Å; H428-T432 PolarHBondContact O-OG1 3.34Å; H428-K940 PolarHBondContact CE1-O 3.45Å; H428-P944 HydrophobicContact CB-CG 4.48Å |
| 429 | A | 85 | Confident | 80.5 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I425 F426 T432 A433 A453 | I425-A429 VanDerWaalsContact O-CB 3.32Å; I425-A429 WeakPolarHBondContact O-CB 3.31Å; I425-A429 PolarHBondContact O-N 3.29Å; F426-A429 PolarHBondContact O-N 2.93Å; A429-T432 PolarHBondContact O-N 3.18Å; A429-A433 WeakPolarHBondContact O-CB 3.47Å; A429-A433 PolarHBondContact O-N 3.29Å; A429-A453 HydrophobicContact CB-CB 3.74Å |
| 430 | W | 86.7 | Confident | 79.3 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 175.9 | -175.8 | -81.6 | 0 | 0 | 0 | 112.3 | L6 F426 H427 H428 T432 A433 E434 L446 M506 | L6-W430 HydrophobicContact CD2-CH2 4.13Å; L6-W430 HydrophobicContact CD2-CZ3 4.02Å; F426-W430 HydrophobicContact CE1-CE3 4.28Å; F426-W430 AromaticContact CZ-CE3 3.81Å; F426-W430 HydrophobicContact CZ-CE3 3.81Å; F426-W430 HydrophobicContact CZ-CZ3 4.34Å; F426-W430 VanDerWaalsContact O-CB 3.31Å; F426-W430 WeakPolarHBondContact O-CB 3.23Å; F426-W430 PolarHBondContact O-N 3Å; H427-W430 PolarHBondContact O-N 3.11Å; H428-W430 VanDerWaalsContact C-N 3.3Å; H428-W430 PolarHBondContact O-N 2.97Å; W430-T432 VanDerWaalsContact C-N 3.3Å; W430-T432 PolarHBondContact O-N 2.97Å; W430-A433 PolarHBondContact O-N 3Å; W430-E434 WeakPolarHBondContact O-CB 3.34Å; W430-E434 PolarHBondContact O-N 2.99Å; W430-L446 HydrophobicContact CD2-CD2 3.71Å; W430-L446 HydrophobicContact CE3-CD2 3.74Å; W430-L446 HydrophobicContact CG-CD2 4.47Å; W430-L446 HydrophobicContact CH2-CD1 4.16Å; W430-L446 HydrophobicContact CH2-CD2 3.69Å; W430-L446 HydrophobicContact CH2-CG 4.44Å; W430-L446 HydrophobicContact CZ2-CD1 4.2Å; W430-L446 HydrophobicContact CZ2-CD2 3.62Å; W430-L446 HydrophobicContact CZ3-CD2 3.74Å; W430-M506 HydrophobicContact CH2-CB 4.28Å; W430-M506 HydrophobicContact CH2-CE 3.96Å |
| 431 | M | 84.2 | Confident | 78.8 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -36.4 | -179.7 | -70.1 | -60 | -59.4 | 0 | 0 | 111.9 | H427 H428 E434 A435 | H427-M431 WeakPolarHBondContact O-CB 3.26Å; H427-M431 VanDerWaalsContact O-CG 3.29Å; H427-M431 WeakPolarHBondContact O-CG 3.41Å; H427-M431 PolarHBondContact O-N 3.49Å; H428-M431 PolarHBondContact O-N 3.42Å; M431-E434 PolarHBondContact O-N 3.42Å; M431-A435 WeakPolarHBondContact O-CB 3.27Å; M431-A435 PolarHBondContact O-N 3.49Å |
| 432 | T | 81.4 | Confident | 78.4 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 176.2 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | H428 A429 W430 A435 H436 | H428-T432 PolarHBondContact CE1-OG1 2.92Å; H428-T432 WeakPolarHBondContact O-CB 3.32Å; H428-T432 PolarHBondContact O-N 3.01Å; H428-T432 PolarHBondContact O-OG1 3.34Å; A429-T432 PolarHBondContact O-N 3.18Å; W430-T432 VanDerWaalsContact C-N 3.3Å; W430-T432 PolarHBondContact O-N 2.97Å; T432-A435 PolarHBondContact O-N 3.3Å; T432-H436 PolarHBondContact O-ND1 3.06Å |
| 433 | A | 82.5 | Confident | 78.1 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A429 W430 A435 H436 V445 L446 | A429-A433 WeakPolarHBondContact O-CB 3.47Å; A429-A433 PolarHBondContact O-N 3.29Å; W430-A433 PolarHBondContact O-N 3Å; A433-A435 VanDerWaalsContact C-N 3.33Å; A433-A435 PolarHBondContact O-N 3.04Å; A433-H436 PolarHBondContact O-N 3.42Å; A433-V445 HydrophobicContact CB-CG1 4.14Å; A433-V445 WeakPolarHBondContact O-CG1 3.41Å; A433-L446 HydrophobicContact CB-CD2 4.28Å |
| 434 | E | 81.2 | Confident | 77.9 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69 | -29.4 | 178.1 | -170.5 | 160.4 | -139.4 | 0 | 0 | 112.6 | W430 M431 Q437 R509 | W430-E434 WeakPolarHBondContact O-CB 3.34Å; W430-E434 PolarHBondContact O-N 2.99Å; M431-E434 PolarHBondContact O-N 3.42Å; E434-Q437 WeakPolarHBondContact O-CB 2.91Å; E434-R509 WeakPolarHBondContact OE1-CD 3.36Å; E434-R509 IonicContact OE1-NE 3.6Å; E434-R509 PolarHBondContact OE1-NE 2.7Å |
| 435 | A | 78.3 | Confident | 77.6 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 65% | 0.653 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.1 | -24.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M431 T432 A433 Q437 | M431-A435 WeakPolarHBondContact O-CB 3.27Å; M431-A435 PolarHBondContact O-N 3.49Å; T432-A435 PolarHBondContact O-N 3.3Å; A433-A435 VanDerWaalsContact C-N 3.33Å; A433-A435 PolarHBondContact O-N 3.04Å; A435-Q437 PolarHBondContact O-N 3.31Å |
| 436 | H | 73.1 | Confident | 77.5 | Confident | 132 Ų | 132 | 69 Ų | 69 | 61% | 0.611 | 37% | 0.369 | S | S | * | . | trans | -82.3 | 37.7 | 178.5 | -72.3 | 78.6 | 0 | 0 | 0 | 112.3 | T432 A433 E438 | T432-H436 PolarHBondContact O-ND1 3.06Å; A433-H436 PolarHBondContact O-N 3.42Å; H436-E438 PolarHBondContact O-N 3.49Å | ||
| 437 | Q | 62.8 | Low | 77.3 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -5 | -161.8 | -148.2 | 176.1 | -17 | 0 | 0 | 115.4 | E434 A435 I442 | E434-Q437 WeakPolarHBondContact O-CB 2.91Å; A435-Q437 PolarHBondContact O-N 3.31Å; Q437-I442 HydrophobicContact CG-CD1 4.24Å |
| 438 | E | 54.6 | Low | 77.1 | Confident | 178 Ų | 178 | 74.6 Ų | 74.6 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -27.8 | -155.3 | -74.7 | -175.6 | 157.8 | 0 | 0 | 116.5 | H436 | H436-E438 PolarHBondContact O-N 3.49Š|
| 439 | D | 50.5 | Low | 76.9 | Confident | 165 Ų | 165 | 73.1 Ų | 73.1 | 88% | 0.882 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -147.8 | 4 | -169.3 | -82.8 | -45.6 | 0 | 0 | 0 | 118.6 | ||
| 440 | S | 60.2 | Low | 76.9 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -130.3 | 159 | -176.3 | 51 | 0 | 0 | 0 | 0 | 113.8 | I442 V445 | S440-I442 PolarHBondContact O-N 3.41Å; S440-V445 WeakPolarHBondContact OG-CG2 3.5Å |
| 441 | D | 75.6 | Confident | 76.8 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | trans | -54 | 103.7 | 179.9 | -156.6 | -4.4 | 0 | 0 | 0 | 109.1 | L443 E444 V445 | D441-L443 PolarHBondContact O-N 3.21Å; D441-E444 HydrophobicContact CB-CB 4.47Å; D441-E444 WeakPolarHBondContact O-CA 3.41Å; D441-E444 WeakPolarHBondContact O-CB 3.48Å; D441-E444 PolarHBondContact O-N 3.13Å; D441-V445 PolarHBondContact O-N 3.24Å | ||
| 442 | I | 78.4 | Confident | 76.7 | Confident | 61 Ų | 61 | 73 Ų | 73 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -52.5 | -31.5 | -167.3 | -72.8 | 167 | 0 | 0 | 0 | 112.1 | Q437 S440 E444 L446 | Q437-I442 HydrophobicContact CG-CD1 4.24Å; S440-I442 PolarHBondContact O-N 3.41Å; I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.3Å; I442-L446 HydrophobicContact CG2-CD1 3.68Å; I442-L446 HydrophobicContact CG2-CG 4.38Å; I442-L446 WeakPolarHBondContact O-CB 3.23Å; I442-L446 WeakPolarHBondContact O-CG 2.81Å; I442-L446 PolarHBondContact O-N 3.12Å |
| 443 | L | 80.3 | Confident | 77 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.8 | -78.3 | 164.8 | 0 | 0 | 0 | 112.7 | L6 D441 Y447 M506 | L6-L443 HydrophobicContact CB-CD2 4.39Å; D441-L443 PolarHBondContact O-N 3.21Å; L443-Y447 WeakPolarHBondContact O-CB 3.12Å; L443-Y447 PolarHBondContact O-N 3.37Å; L443-M506 HydrophobicContact CD2-CE 4.16Å |
| 444 | E | 82.5 | Confident | 77.2 | Confident | 102 Ų | 102 | 70.4 Ų | 70.4 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74 | -42 | 179.2 | -169.8 | 141.9 | -136.8 | 0 | 0 | 111.5 | D441 I442 Y447 N448 | D441-E444 HydrophobicContact CB-CB 4.47Å; D441-E444 WeakPolarHBondContact O-CA 3.41Å; D441-E444 WeakPolarHBondContact O-CB 3.48Å; D441-E444 PolarHBondContact O-N 3.13Å; I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.3Å; E444-Y447 WeakPolarHBondContact O-CB 3.21Å; E444-Y447 PolarHBondContact O-N 3.45Å; E444-N448 PolarHBondContact O-N 3.47Å |
| 445 | V | 82.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | A433 S440 D441 Y447 N448 G449 | A433-V445 HydrophobicContact CB-CG1 4.14Å; A433-V445 WeakPolarHBondContact O-CG1 3.41Å; S440-V445 WeakPolarHBondContact OG-CG2 3.5Å; D441-V445 PolarHBondContact O-N 3.24Å; V445-Y447 VanDerWaalsContact C-N 3.33Å; V445-Y447 PolarHBondContact O-N 3.49Å; V445-N448 PolarHBondContact O-N 3.5Å; V445-G449 PolarHBondContact O-N 3.33Å |
| 446 | L | 84.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.1 | -78.6 | 166.3 | 0 | 0 | 0 | 112.1 | W430 A433 I442 M450 M506 | W430-L446 HydrophobicContact CD2-CD2 3.71Å; W430-L446 HydrophobicContact CE3-CD2 3.74Å; W430-L446 HydrophobicContact CG-CD2 4.47Å; W430-L446 HydrophobicContact CH2-CD1 4.16Å; W430-L446 HydrophobicContact CH2-CD2 3.69Å; W430-L446 HydrophobicContact CH2-CG 4.44Å; W430-L446 HydrophobicContact CZ2-CD1 4.2Å; W430-L446 HydrophobicContact CZ2-CD2 3.62Å; W430-L446 HydrophobicContact CZ3-CD2 3.74Å; A433-L446 HydrophobicContact CB-CD2 4.28Å; I442-L446 HydrophobicContact CG2-CD1 3.68Å; I442-L446 HydrophobicContact CG2-CG 4.38Å; I442-L446 WeakPolarHBondContact O-CB 3.23Å; I442-L446 WeakPolarHBondContact O-CG 2.81Å; I442-L446 PolarHBondContact O-N 3.12Å; L446-M450 WeakPolarHBondContact O-CB 3.45Å; L446-M450 PolarHBondContact O-N 3.45Å; L446-M506 HydrophobicContact CD1-CE 4.12Å |
| 447 | Y | 85.2 | Confident | 78.4 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.9 | 164 | -102.2 | 0 | 0 | 0 | 111.5 | K3 L443 E444 V445 M450 A451 | K3-Y447 HydrophobicContact CB-CD2 4.44Å; K3-Y447 HydrophobicContact CD-CD2 4.49Å; K3-Y447 HydrophobicContact CD-CE2 4.36Å; K3-Y447 HydrophobicContact CG-CD2 3.45Å; K3-Y447 VanDerWaalsContact CG-CD2 3.45Å; K3-Y447 HydrophobicContact CG-CE2 3.52Å; K3-Y447 HydrophobicContact CG-CG 4.04Å; L443-Y447 WeakPolarHBondContact O-CB 3.12Å; L443-Y447 PolarHBondContact O-N 3.37Å; E444-Y447 WeakPolarHBondContact O-CB 3.21Å; E444-Y447 PolarHBondContact O-N 3.45Å; V445-Y447 VanDerWaalsContact C-N 3.33Å; V445-Y447 PolarHBondContact O-N 3.49Å; Y447-M450 PolarHBondContact O-N 2.93Å; Y447-A451 WeakPolarHBondContact O-CB 3.49Å; Y447-A451 PolarHBondContact O-N 3.24Å |
| 448 | N | 83 | Confident | 79.7 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 179.7 | -73.5 | -17.6 | 0 | 0 | 0 | 111.5 | E444 V445 M450 A451 N452 | E444-N448 PolarHBondContact O-N 3.47Å; V445-N448 PolarHBondContact O-N 3.5Å; N448-M450 VanDerWaalsContact C-N 3.34Å; N448-M450 PolarHBondContact O-N 3.15Å; N448-A451 PolarHBondContact O-N 3.47Å; N448-N452 PolarHBondContact O-N 3.39Å; N448-N452 VanDerWaalsContact O-N 3.1Å |
| 449 | G | 82.5 | Confident | 81.2 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 19% | 0.186 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V445 A453 | V445-G449 PolarHBondContact O-N 3.33Å; G449-A453 WeakPolarHBondContact O-CB 3.44Å; G449-A453 PolarHBondContact O-N 2.83Å; G449-A453 VanDerWaalsContact O-N 3.09Å |
| 450 | M | 84.5 | Confident | 82.9 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 177.2 | -177.9 | 169 | 83.9 | 0 | 0 | 112.6 | S2 L6 F426 L446 Y447 N448 N452 A453 C454 P502 | S2-M450 VanDerWaalsContact O-CE 3.31Å; S2-M450 WeakPolarHBondContact O-CE 3.49Å; L6-M450 HydrophobicContact CD1-CE 3.84Å; L6-M450 HydrophobicContact CD2-CE 4.38Å; L6-M450 HydrophobicContact CD2-SD 4.36Å; L6-M450 HydrophobicContact CG-CE 3.86Å; L6-M450 HydrophobicContact CG-SD 4.46Å; F426-M450 HydrophobicContact CE2-CG 4.08Å; F426-M450 HydrophobicContact CE2-SD 4.35Å; L446-M450 WeakPolarHBondContact O-CB 3.45Å; L446-M450 PolarHBondContact O-N 3.45Å; Y447-M450 PolarHBondContact O-N 2.93Å; N448-M450 VanDerWaalsContact C-N 3.34Å; N448-M450 PolarHBondContact O-N 3.15Å; M450-N452 VanDerWaalsContact C-N 3.31Å; M450-N452 PolarHBondContact O-N 3.42Å; M450-A453 PolarHBondContact O-N 3.3Å; M450-C454 WeakPolarHBondContact O-CB 3.34Å; M450-C454 PolarHBondContact O-N 3.22Å; M450-C454 PolarHBondContact O-SG 3.48Å; M450-P502 HydrophobicContact SD-CB 3.35Å; M450-P502 WeakPolarHBondContact SD-CB 3.3Å; M450-P502 HydrophobicContact SD-CG 3.54Å; M450-P502 VanDerWaalsContact SD-CG 3.54Å |
| 451 | A | 84.9 | Confident | 84.3 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y447 N448 S455 | Y447-A451 WeakPolarHBondContact O-CB 3.49Å; Y447-A451 PolarHBondContact O-N 3.24Å; N448-A451 PolarHBondContact O-N 3.47Å; A451-S455 WeakPolarHBondContact O-CB 3.47Å; A451-S455 PolarHBondContact O-N 3.41Å |
| 452 | N | 82.9 | Confident | 85 | Confident | 78 Ų | 78 | 37 Ų | 37 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.8 | -69.5 | -11 | 0 | 0 | 0 | 112.1 | N448 M450 S455 T456 | N448-N452 PolarHBondContact O-N 3.39Å; N448-N452 VanDerWaalsContact O-N 3.1Å; M450-N452 VanDerWaalsContact C-N 3.31Å; M450-N452 PolarHBondContact O-N 3.42Å; N452-S455 PolarHBondContact O-N 3.37Å; N452-T456 PolarHBondContact O-N 2.95Å; N452-T456 VanDerWaalsContact O-N 3.09Å; N452-T456 PolarHBondContact O-OG1 2.98Å |
| 453 | A | 87 | Confident | 85.5 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -48.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A429 G449 M450 S455 T456 M457 | A429-A453 HydrophobicContact CB-CB 3.74Å; G449-A453 WeakPolarHBondContact O-CB 3.44Å; G449-A453 PolarHBondContact O-N 2.83Å; G449-A453 VanDerWaalsContact O-N 3.09Å; M450-A453 PolarHBondContact O-N 3.3Å; A453-S455 VanDerWaalsContact C-N 3.29Å; A453-S455 PolarHBondContact O-N 2.73Å; A453-T456 PolarHBondContact O-N 2.9Å; A453-T456 VanDerWaalsContact O-N 3.08Å; A453-M457 HydrophobicContact CB-CE 3.71Å; A453-M457 WeakPolarHBondContact O-CG 3.44Å; A453-M457 PolarHBondContact O-N 2.92Å |
| 454 | C | 87.8 | Confident | 85.9 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | M450 F458 Y494 I498 | M450-C454 WeakPolarHBondContact O-CB 3.34Å; M450-C454 PolarHBondContact O-N 3.22Å; M450-C454 PolarHBondContact O-SG 3.48Å; C454-F458 WeakPolarHBondContact O-CB 3.4Å; C454-F458 PolarHBondContact O-N 2.92Å; C454-Y494 PolarHBondContact O-OH 3.26Å; C454-I498 HydrophobicContact CB-CG2 4.43Å |
| 455 | S | 85.2 | Confident | 86.3 | Confident | 61 Ų | 61 | 25.4 Ų | 25.4 | 43% | 0.427 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67 | -39.2 | 174.4 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | A451 N452 A453 F458 I459 | A451-S455 WeakPolarHBondContact O-CB 3.47Å; A451-S455 PolarHBondContact O-N 3.41Å; N452-S455 PolarHBondContact O-N 3.37Å; A453-S455 VanDerWaalsContact C-N 3.29Å; A453-S455 PolarHBondContact O-N 2.73Å; S455-F458 PolarHBondContact O-N 3.14Å; S455-I459 WeakPolarHBondContact O-CD1 3.3Å; S455-I459 VanDerWaalsContact O-CG1 3.27Å; S455-I459 WeakPolarHBondContact O-CG1 3.45Å; S455-I459 PolarHBondContact O-N 2.83Å |
| 456 | T | 83.9 | Confident | 86.6 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -45.3 | 179 | -54 | 0 | 0 | 0 | 0 | 111.1 | N452 A453 F458 I459 T460 A920 M921 | N452-T456 PolarHBondContact O-N 2.95Å; N452-T456 VanDerWaalsContact O-N 3.09Å; N452-T456 PolarHBondContact O-OG1 2.98Å; A453-T456 PolarHBondContact O-N 2.9Å; A453-T456 VanDerWaalsContact O-N 3.08Å; T456-F458 VanDerWaalsContact C-N 3.31Å; T456-F458 PolarHBondContact O-N 3.35Å; T456-I459 PolarHBondContact O-N 2.71Å; T456-T460 PolarHBondContact O-N 3.02Å; T456-A920 HydrophobicContact CG2-CB 3.69Å; T456-M921 WeakPolarHBondContact OG1-CE 3.24Å |
| 457 | M | 88.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | 177.2 | -65 | 159.5 | -158.6 | 0 | 0 | 112.7 | D422 I425 F426 A453 I459 T460 S461 Y494 | D422-M457 HydrophobicContact CB-CG 4.02Å; D422-M457 HydrophobicContact CB-SD 4.43Å; D422-M457 WeakPolarHBondContact O-CE 3.31Å; D422-M457 WeakPolarHBondContact OD1-CG 3.46Å; I425-M457 HydrophobicContact CB-CE 4.02Å; I425-M457 HydrophobicContact CG2-CE 3.8Å; F426-M457 HydrophobicContact CB-CE 3.4Å; F426-M457 VanDerWaalsContact CB-CE 3.4Å; F426-M457 HydrophobicContact CB-SD 4.37Å; F426-M457 HydrophobicContact CD2-CE 4.12Å; F426-M457 HydrophobicContact CG-CE 4.27Å; A453-M457 HydrophobicContact CB-CE 3.71Å; A453-M457 WeakPolarHBondContact O-CG 3.44Å; A453-M457 PolarHBondContact O-N 2.92Å; M457-I459 VanDerWaalsContact C-N 3.28Å; M457-I459 PolarHBondContact O-N 2.71Å; M457-T460 WeakPolarHBondContact CA-OG1 3.18Å; M457-T460 PolarHBondContact O-OG1 2.85Å; M457-S461 VanDerWaalsContact O-CB 3.26Å; M457-S461 WeakPolarHBondContact O-CB 3.31Å; M457-S461 PolarHBondContact O-N 3.44Å; M457-S461 PolarHBondContact O-OG 3.49Å; M457-S461 VanDerWaalsContact O-OG 3.11Å; M457-Y494 HydrophobicContact CB-CD2 4.26Å; M457-Y494 HydrophobicContact CB-CE2 4.15Å |
| 458 | F | 89.5 | Confident | 87.1 | Confident | 77 Ų | 77 | 21.7 Ų | 21.7 | 34% | 0.338 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.5 | 177.9 | -111.6 | 0 | 0 | 0 | 111.1 | C454 S455 T456 A462 Y494 M864 | C454-F458 WeakPolarHBondContact O-CB 3.4Å; C454-F458 PolarHBondContact O-N 2.92Å; S455-F458 PolarHBondContact O-N 3.14Å; T456-F458 VanDerWaalsContact C-N 3.31Å; T456-F458 PolarHBondContact O-N 3.35Å; F458-A462 HydrophobicContact CE1-CB 4.48Å; F458-A462 HydrophobicContact CE2-CB 4.45Å; F458-A462 HydrophobicContact CZ-CB 4.31Å; F458-A462 WeakPolarHBondContact O-CB 3.35Å; F458-A462 PolarHBondContact O-N 3.13Å; F458-Y494 VanDerWaalsContact CA-CE2 3.41Å; F458-Y494 HydrophobicContact CB-CE1 4.48Å; F458-Y494 HydrophobicContact CB-CE2 3.72Å; F458-Y494 WeakPolarHBondContact CB-OH 3.45Å; F458-Y494 HydrophobicContact CD2-CD1 4.21Å; F458-Y494 AromaticContact CD2-CE1 3.6Å; F458-Y494 HydrophobicContact CD2-CE1 3.6Å; F458-Y494 HydrophobicContact CD2-CE2 4.28Å; F458-Y494 AromaticContact CD2-CZ 3.65Å; F458-Y494 HydrophobicContact CE2-CE1 4.39Å; F458-Y494 HydrophobicContact CG-CE1 4.49Å; F458-M864 HydrophobicContact CD1-SD 4.45Å; F458-M864 HydrophobicContact CE1-CE 4.11Å |
| 459 | I | 85.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | -175.8 | -60.7 | 163.9 | 0 | 0 | 0 | 109.9 | S455 T456 M457 A462 T463 I860 L861 M864 L916 | S455-I459 WeakPolarHBondContact O-CD1 3.3Å; S455-I459 VanDerWaalsContact O-CG1 3.27Å; S455-I459 WeakPolarHBondContact O-CG1 3.45Å; S455-I459 PolarHBondContact O-N 2.83Å; T456-I459 PolarHBondContact O-N 2.71Å; M457-I459 VanDerWaalsContact C-N 3.28Å; M457-I459 PolarHBondContact O-N 2.71Å; I459-A462 PolarHBondContact O-N 3.29Å; I459-T463 WeakPolarHBondContact O-CG2 3.22Å; I459-T463 PolarHBondContact O-N 3.08Å; I459-T463 PolarHBondContact O-OG1 2.79Å; I459-I860 HydrophobicContact CG2-CG2 4.48Å; I459-L861 HydrophobicContact CG2-CD2 4.42Å; I459-M864 HydrophobicContact CD1-CB 3.69Å; I459-M864 HydrophobicContact CD1-CG 4.07Å; I459-M864 HydrophobicContact CD1-SD 4.39Å; I459-M864 HydrophobicContact CG1-CB 3.97Å; I459-M864 HydrophobicContact CG1-CG 3.78Å; I459-M864 HydrophobicContact CG1-SD 4.08Å; I459-L916 HydrophobicContact CG2-CD1 3.91Å; I459-L916 HydrophobicContact CG2-CD2 3.69Å; I459-L916 HydrophobicContact CG2-CG 4.42Å |
| 460 | T | 86.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 20.5 Ų | 20.5 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 177.4 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | D422 T456 M457 A462 T463 T464 D913 L916 H917 | D422-T460 PolarHBondContact OD1-OG1 3.45Å; T456-T460 PolarHBondContact O-N 3.02Å; M457-T460 WeakPolarHBondContact CA-OG1 3.18Å; M457-T460 PolarHBondContact O-OG1 2.85Å; T460-A462 VanDerWaalsContact C-N 3.33Å; T460-A462 PolarHBondContact O-N 3.04Å; T460-T463 PolarHBondContact O-N 2.64Å; T460-T463 PolarHBondContact O-OG1 2.82Å; T460-T464 WeakPolarHBondContact O-CB 3.35Å; T460-T464 VanDerWaalsContact O-CG2 3.28Å; T460-T464 WeakPolarHBondContact O-CG2 3.29Å; T460-T464 PolarHBondContact O-N 2.84Å; T460-T464 PolarHBondContact O-OG1 3.48Å; T460-D913 WeakPolarHBondContact CB-OD1 3.41Å; T460-D913 HydrophobicContact CG2-CB 4.29Å; T460-L916 HydrophobicContact CG2-CB 4.2Å; T460-L916 HydrophobicContact CG2-CD1 4.12Å; T460-H917 WeakPolarHBondContact CG2-CE1 3.27Å |
| 461 | S | 90.8 | Very high | 88.1 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.3 | -69 | 0 | 0 | 0 | 0 | 112.7 | D422 M457 T464 A465 | D422-S461 PolarHBondContact OD2-OG 3.12Å; M457-S461 VanDerWaalsContact O-CB 3.26Å; M457-S461 WeakPolarHBondContact O-CB 3.31Å; M457-S461 PolarHBondContact O-N 3.44Å; M457-S461 PolarHBondContact O-OG 3.49Å; M457-S461 VanDerWaalsContact O-OG 3.11Å; S461-T464 WeakPolarHBondContact CA-OG1 3.39Å; S461-T464 PolarHBondContact O-OG1 3.29Å; S461-A465 WeakPolarHBondContact O-CB 3.17Å; S461-A465 PolarHBondContact O-N 3.38Å |
| 462 | A | 89.4 | Confident | 88.4 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.5 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F458 I459 T460 A466 I860 | F458-A462 HydrophobicContact CE1-CB 4.48Å; F458-A462 HydrophobicContact CE2-CB 4.45Å; F458-A462 HydrophobicContact CZ-CB 4.31Å; F458-A462 WeakPolarHBondContact O-CB 3.35Å; F458-A462 PolarHBondContact O-N 3.13Å; I459-A462 PolarHBondContact O-N 3.29Å; T460-A462 VanDerWaalsContact C-N 3.33Å; T460-A462 PolarHBondContact O-N 3.04Å; A462-A466 VanDerWaalsContact O-CB 3.22Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3.32Å; A462-I860 HydrophobicContact CB-CG2 4.45Å |
| 463 | T | 88.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 177 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | I459 T460 A466 A467 I860 L916 | I459-T463 WeakPolarHBondContact O-CG2 3.22Å; I459-T463 PolarHBondContact O-N 3.08Å; I459-T463 PolarHBondContact O-OG1 2.79Å; T460-T463 PolarHBondContact O-N 2.64Å; T460-T463 PolarHBondContact O-OG1 2.82Å; T463-A466 PolarHBondContact O-N 3.37Å; T463-A467 PolarHBondContact O-N 2.85Å; T463-I860 HydrophobicContact CG2-CB 4.21Å; T463-I860 HydrophobicContact CG2-CD1 4.36Å; T463-I860 HydrophobicContact CG2-CG2 3.88Å; T463-L916 HydrophobicContact CG2-CD1 4.43Å |
| 464 | T | 89.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 175.6 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | T460 S461 A466 A467 F468 L910 | T460-T464 WeakPolarHBondContact O-CB 3.35Å; T460-T464 VanDerWaalsContact O-CG2 3.28Å; T460-T464 WeakPolarHBondContact O-CG2 3.29Å; T460-T464 PolarHBondContact O-N 2.84Å; T460-T464 PolarHBondContact O-OG1 3.48Å; S461-T464 WeakPolarHBondContact CA-OG1 3.39Å; S461-T464 PolarHBondContact O-OG1 3.29Å; T464-A466 PolarHBondContact O-N 3.48Å; T464-A467 PolarHBondContact O-N 2.98Å; T464-F468 WeakPolarHBondContact O-CD2 3.38Å; T464-F468 PolarHBondContact O-N 3.33Å; T464-L910 HydrophobicContact CG2-CD2 3.73Å |
| 465 | A | 91.2 | Very high | 89 | Confident | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S461 A467 F468 Y469 T490 L491 | S461-A465 WeakPolarHBondContact O-CB 3.17Å; S461-A465 PolarHBondContact O-N 3.38Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A465-A467 PolarHBondContact O-N 2.9Å; A465-F468 PolarHBondContact O-N 3.4Å; A465-Y469 HydrophobicContact CB-CD2 4.43Å; A465-Y469 HydrophobicContact CB-CE2 4.37Å; A465-Y469 WeakPolarHBondContact O-CD2 3.22Å; A465-Y469 PolarHBondContact O-N 2.74Å; A465-T490 WeakPolarHBondContact CA-OG1 3.27Å; A465-T490 WeakPolarHBondContact CB-OG1 3.23Å; A465-L491 HydrophobicContact CB-CD1 4.48Å; A465-L491 HydrophobicContact CB-CD2 3.76Å; A465-L491 HydrophobicContact CB-CG 3.78Å |
| 466 | A | 89.4 | Confident | 89.3 | Confident | 14 Ų | 14 | 20.1 Ų | 20.1 | 12% | 0.116 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A462 T463 T464 Y469 S470 L856 I860 | A462-A466 VanDerWaalsContact O-CB 3.22Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3.32Å; T463-A466 PolarHBondContact O-N 3.37Å; T464-A466 PolarHBondContact O-N 3.48Å; A466-Y469 PolarHBondContact O-N 3.09Å; A466-S470 PolarHBondContact O-N 3.01Å; A466-L856 HydrophobicContact CB-CB 4.4Å; A466-L856 HydrophobicContact CB-CD2 4.3Å; A466-I860 HydrophobicContact CB-CD1 3.95Å |
| 467 | A | 88.4 | Confident | 89.7 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | T463 T464 A465 S470 G909 | T463-A467 PolarHBondContact O-N 2.85Å; T464-A467 PolarHBondContact O-N 2.98Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A465-A467 PolarHBondContact O-N 2.9Å; A467-S470 WeakPolarHBondContact O-CB 3.45Å; A467-S470 PolarHBondContact O-N 3.27Å; A467-S470 PolarHBondContact O-OG 3.17Å; A467-G909 VanDerWaalsContact CB-CA 3.49Å |
| 468 | F | 90.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 175.7 | -74.4 | -58.1 | 0 | 0 | 0 | 113.2 | L414 T464 A465 S470 N471 F482 G483 A486 T490 L906 | L414-F468 HydrophobicContact CD1-CZ 4.44Å; T464-F468 WeakPolarHBondContact O-CD2 3.38Å; T464-F468 PolarHBondContact O-N 3.33Å; A465-F468 PolarHBondContact O-N 3.4Å; F468-S470 VanDerWaalsContact C-N 3.26Å; F468-S470 PolarHBondContact O-N 3.27Å; F468-N471 VanDerWaalsContact O-CB 3.31Å; F468-N471 WeakPolarHBondContact O-CB 3.35Å; F468-N471 PolarHBondContact O-N 3.34Å; F468-F482 HydrophobicContact CD1-CE1 4.21Å; F468-F482 AromaticContact CE1-CE1 3.96Å; F468-F482 HydrophobicContact CE1-CE1 3.96Å; F468-F482 HydrophobicContact CE1-CZ 4.09Å; F468-G483 WeakPolarHBondContact O-CA 3.45Å; F468-A486 HydrophobicContact CB-CB 4.24Å; F468-A486 HydrophobicContact CD1-CB 3.36Å; F468-A486 HydrophobicContact CD2-CB 4.01Å; F468-A486 HydrophobicContact CE1-CB 3.48Å; F468-A486 VanDerWaalsContact CE1-CB 3.48Å; F468-A486 HydrophobicContact CE2-CB 4.15Å; F468-A486 HydrophobicContact CG-CB 3.62Å; F468-A486 HydrophobicContact CZ-CB 3.88Å; F468-T490 HydrophobicContact CD2-CG2 3.85Å; F468-T490 HydrophobicContact CE2-CG2 3.6Å; F468-L906 HydrophobicContact CD1-CD1 4.41Å; F468-L906 HydrophobicContact CE1-CD1 3.25Å; F468-L906 HydrophobicContact CE2-CD1 4.18Å; F468-L906 HydrophobicContact CZ-CD1 3.11Å |
| 469 | Y | 92 | Very high | 89.9 | Confident | 69 Ų | 69 | 15.9 Ų | 15.9 | 27% | 0.271 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -69.3 | -23.1 | 178.4 | -74.1 | -52.3 | 0 | 0 | 0 | 113.5 | A465 A466 N471 L472 L484 T488 L491 | A465-Y469 HydrophobicContact CB-CD2 4.43Å; A465-Y469 HydrophobicContact CB-CE2 4.37Å; A465-Y469 WeakPolarHBondContact O-CD2 3.22Å; A465-Y469 PolarHBondContact O-N 2.74Å; A466-Y469 PolarHBondContact O-N 3.09Å; Y469-N471 PolarHBondContact O-N 3.26Å; Y469-N471 VanDerWaalsContact O-N 3.16Å; Y469-L472 HydrophobicContact CD1-CD1 3.78Å; Y469-L472 HydrophobicContact CD1-CG 4.45Å; Y469-L472 VanDerWaalsContact O-CB 3.26Å; Y469-L472 WeakPolarHBondContact O-CB 3.26Å; Y469-L472 WeakPolarHBondContact O-CG 3.24Å; Y469-L472 PolarHBondContact O-N 2.91Å; Y469-L484 HydrophobicContact CE1-CD1 4.21Å; Y469-T488 VanDerWaalsContact OH-CG2 3.24Å; Y469-T488 WeakPolarHBondContact OH-CG2 3.31Å; Y469-T488 PolarHBondContact OH-N 3.24Å; Y469-L491 HydrophobicContact CE2-CD1 3.74Å; Y469-L491 HydrophobicContact CE2-CG 4.48Å |
| 470 | S | 89.8 | Confident | 90.2 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -26.9 | 172.6 | 80.2 | 0 | 0 | 0 | 0 | 112.5 | A466 A467 F468 L472 L473 | A466-S470 PolarHBondContact O-N 3.01Å; A467-S470 WeakPolarHBondContact O-CB 3.45Å; A467-S470 PolarHBondContact O-N 3.27Å; A467-S470 PolarHBondContact O-OG 3.17Å; F468-S470 VanDerWaalsContact C-N 3.26Å; F468-S470 PolarHBondContact O-N 3.27Å; S470-L472 PolarHBondContact O-N 3.27Å; S470-L473 WeakPolarHBondContact O-CB 3.3Å; S470-L473 PolarHBondContact O-N 3.33Å; S470-L473 VanDerWaalsContact O-N 3.15Å |
| 471 | N | 88.8 | Confident | 90.5 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -67.3 | -16 | 176.1 | -73.4 | -33.5 | 0 | 0 | 0 | 113.9 | F468 Y469 L473 S474 V479 T905 | F468-N471 VanDerWaalsContact O-CB 3.31Å; F468-N471 WeakPolarHBondContact O-CB 3.35Å; F468-N471 PolarHBondContact O-N 3.34Å; Y469-N471 PolarHBondContact O-N 3.26Å; Y469-N471 VanDerWaalsContact O-N 3.16Å; N471-L473 PolarHBondContact O-N 2.89Å; N471-S474 VanDerWaalsContact O-CB 3.31Å; N471-S474 WeakPolarHBondContact O-CB 3.5Å; N471-S474 PolarHBondContact O-N 3Å; N471-S474 VanDerWaalsContact O-N 3.09Å; N471-V479 HydrophobicContact CB-CG1 3.77Å; N471-T905 PolarHBondContact ND2-OG1 3.11Å; N471-T905 WeakPolarHBondContact OD1-CB 3.46Å; N471-T905 VanDerWaalsContact OD1-CG2 3.31Å; N471-T905 WeakPolarHBondContact OD1-CG2 3.46Å; N471-T905 PolarHBondContact OD1-OG1 3.39Å |
| 472 | L | 91.6 | Very high | 90.6 | Very high | 64 Ų | 64 | 17.1 Ų | 17.1 | 34% | 0.335 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -62.9 | -23.9 | 172.5 | -65.1 | 177.4 | 0 | 0 | 0 | 112.6 | Y469 S470 S474 R480 L484 | Y469-L472 HydrophobicContact CD1-CD1 3.78Å; Y469-L472 HydrophobicContact CD1-CG 4.45Å; Y469-L472 VanDerWaalsContact O-CB 3.26Å; Y469-L472 WeakPolarHBondContact O-CB 3.26Å; Y469-L472 WeakPolarHBondContact O-CG 3.24Å; Y469-L472 PolarHBondContact O-N 2.91Å; S470-L472 PolarHBondContact O-N 3.27Å; L472-S474 VanDerWaalsContact C-N 3.27Å; L472-S474 PolarHBondContact O-N 3.22Å; L472-R480 HydrophobicContact CD2-CB 4.45Å; L472-R480 WeakPolarHBondContact CD2-O 3.4Å; L472-R480 PolarHBondContact O-NE 3.05Å; L472-R480 VanDerWaalsContact O-NE 3.12Å; L472-L484 HydrophobicContact CD2-CB 3.94Å |
| 473 | L | 90.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 16.4 Ų | 16.4 | 51% | 0.513 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -73 | -19.4 | 176.4 | -60.7 | 176.3 | 0 | 0 | 0 | 112.8 | S470 N471 V852 | S470-L473 WeakPolarHBondContact O-CB 3.3Å; S470-L473 PolarHBondContact O-N 3.33Å; S470-L473 VanDerWaalsContact O-N 3.15Å; N471-L473 PolarHBondContact O-N 2.89Å; L473-V852 HydrophobicContact CD1-CB 4.24Å; L473-V852 HydrophobicContact CD1-CG1 3.94Å; L473-V852 HydrophobicContact CD1-CG2 4.12Å |
| 474 | S | 89.9 | Confident | 91 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -65.1 | 144.9 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | N471 L472 I476 R480 S845 | N471-S474 VanDerWaalsContact O-CB 3.31Å; N471-S474 WeakPolarHBondContact O-CB 3.5Å; N471-S474 PolarHBondContact O-N 3Å; N471-S474 VanDerWaalsContact O-N 3.09Å; L472-S474 VanDerWaalsContact C-N 3.27Å; L472-S474 PolarHBondContact O-N 3.22Å; S474-I476 VanDerWaalsContact C-N 3.28Å; S474-I476 PolarHBondContact OG-N 2.83Å; S474-R480 WeakPolarHBondContact O-CD 3.16Å; S474-R480 VanDerWaalsContact O-CG 3.22Å; S474-R480 WeakPolarHBondContact O-CG 3.27Å; S474-R480 PolarHBondContact O-NE 3.4Å; S474-R480 PolarHBondContact O-NH2 2.75Å; S474-R480 VanDerWaalsContact O-NH2 3.11Å; S474-S845 WeakPolarHBondContact OG-CB 3.38Å |
| 475 | S | 91.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 17.4 Ų | 17.4 | 13% | 0.126 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -80.3 | -7.1 | 174 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | T45 R46 A841 | T45-S475 CarbonylContact C-O 3.53Å; T45-S475 WeakPolarHBondContact CA-O 3.31Å; R46-S475 PolarHBondContact N-O 3.18Å; S475-A841 WeakPolarHBondContact OG-CB 3.41Å |
| 476 | I | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 129.1 | -176.2 | -54.5 | 168.3 | 0 | 0 | 0 | 110.2 | T45 S474 V478 V479 R480 L838 A841 L842 V898 | T45-I476 HydrophobicContact CG2-CG1 4.49Å; S474-I476 VanDerWaalsContact C-N 3.28Å; S474-I476 PolarHBondContact OG-N 2.83Å; I476-V478 PolarHBondContact O-N 3.01Å; I476-V479 HydrophobicContact CB-CB 4.09Å; I476-V479 HydrophobicContact CB-CG2 3.82Å; I476-V479 HydrophobicContact CD1-CG2 4.18Å; I476-V479 HydrophobicContact CG2-CB 4.46Å; I476-V479 HydrophobicContact CG2-CG2 3.89Å; I476-V479 PolarHBondContact O-N 3.46Å; I476-R480 WeakPolarHBondContact O-CG 3.49Å; I476-R480 PolarHBondContact O-N 3.36Å; I476-R480 VanDerWaalsContact O-N 3.07Å; I476-L838 HydrophobicContact CD1-CD1 3.91Å; I476-L838 HydrophobicContact CG1-CD1 4Å; I476-L838 HydrophobicContact CG2-CD1 4.29Å; I476-A841 HydrophobicContact CD1-CB 4.4Å; I476-A841 HydrophobicContact CG1-CB 4.03Å; I476-L842 HydrophobicContact CD1-CD2 3.39Å; I476-L842 HydrophobicContact CD1-CG 3.79Å; I476-V898 HydrophobicContact CG2-CG1 4.15Å; I476-V898 HydrophobicContact CG2-CG2 4.47Å |
| 477 | I | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -51.4 | -174.3 | -58 | 173.3 | 0 | 0 | 0 | 111.3 | S44 R46 F403 V479 R480 C481 P653 | S44-I477 PolarHBondContact O-N 3.46Å; S44-I477 WeakPolarHBondContact OG-CD1 3.19Å; R46-I477 HydrophobicContact CB-CG1 4.38Å; R46-I477 HydrophobicContact CG-CD1 3.55Å; R46-I477 HydrophobicContact CG-CG1 3.52Å; F403-I477 HydrophobicContact CD1-CG2 4.06Å; F403-I477 HydrophobicContact CE1-CG2 4.19Å; I477-V479 VanDerWaalsContact C-N 3.29Å; I477-V479 PolarHBondContact O-N 2.89Å; I477-R480 PolarHBondContact O-N 3.42Å; I477-C481 PolarHBondContact O-N 2.99Å; I477-C481 PolarHBondContact O-SG 3.48Å; I477-C481 VanDerWaalsContact O-SG 3.39Å; I477-P653 HydrophobicContact CD1-CB 3.94Å |
| 478 | V | 91.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.8 | -40 | -179.2 | 169.4 | 0 | 0 | 0 | 0 | 112 | G42 F43 F403 P405 V407 I476 C481 F482 V898 | G42-V478 VanDerWaalsContact C-CG2 3.41Å; G42-V478 VanDerWaalsContact O-CG2 3.23Å; G42-V478 WeakPolarHBondContact O-CG2 3.3Å; G42-V478 PolarHBondContact O-N 3.3Å; F43-V478 HydrophobicContact CD2-CG2 4.04Å; F43-V478 HydrophobicContact CE2-CG2 4.07Å; F403-V478 HydrophobicContact CE1-CG2 4.25Å; P405-V478 HydrophobicContact CB-CG1 4.16Å; P405-V478 HydrophobicContact CB-CG2 4.01Å; P405-V478 HydrophobicContact CG-CG1 4.45Å; V407-V478 HydrophobicContact CB-CG1 4.06Å; V407-V478 HydrophobicContact CG2-CG1 3.69Å; I476-V478 PolarHBondContact O-N 3.01Å; V478-C481 PolarHBondContact O-N 2.87Å; V478-F482 VanDerWaalsContact O-CB 3.25Å; V478-F482 WeakPolarHBondContact O-CB 3.25Å; V478-F482 PolarHBondContact O-N 3.49Å; V478-V898 HydrophobicContact CB-CG1 4.38Å; V478-V898 HydrophobicContact CG1-CG1 4.26Å |
| 479 | V | 90.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | N471 I476 I477 G483 V898 T902 | N471-V479 HydrophobicContact CB-CG1 3.77Å; I476-V479 HydrophobicContact CB-CB 4.09Å; I476-V479 HydrophobicContact CB-CG2 3.82Å; I476-V479 HydrophobicContact CD1-CG2 4.18Å; I476-V479 HydrophobicContact CG2-CB 4.46Å; I476-V479 HydrophobicContact CG2-CG2 3.89Å; I476-V479 PolarHBondContact O-N 3.46Å; I477-V479 VanDerWaalsContact C-N 3.29Å; I477-V479 PolarHBondContact O-N 2.89Å; V479-G483 PolarHBondContact O-N 2.65Å; V479-V898 HydrophobicContact CG2-CG1 3.66Å; V479-T902 HydrophobicContact CB-CG2 4.25Å; V479-T902 HydrophobicContact CG1-CG2 4.03Å; V479-T902 HydrophobicContact CG2-CG2 3.85Å |
| 480 | R | 92.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 14.4 Ų | 14.4 | 18% | 0.177 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 174.8 | -71.9 | -178.3 | 157.6 | 140.4 | 9.9 | 111.9 | R46 L472 S474 I476 I477 F482 G483 L484 L651 | R46-R480 PolarHBondContact O-NH1 2.9Å; L472-R480 HydrophobicContact CD2-CB 4.45Å; L472-R480 WeakPolarHBondContact CD2-O 3.4Å; L472-R480 PolarHBondContact O-NE 3.05Å; L472-R480 VanDerWaalsContact O-NE 3.12Å; S474-R480 WeakPolarHBondContact O-CD 3.16Å; S474-R480 VanDerWaalsContact O-CG 3.22Å; S474-R480 WeakPolarHBondContact O-CG 3.27Å; S474-R480 PolarHBondContact O-NE 3.4Å; S474-R480 PolarHBondContact O-NH2 2.75Å; S474-R480 VanDerWaalsContact O-NH2 3.11Å; I476-R480 WeakPolarHBondContact O-CG 3.49Å; I476-R480 PolarHBondContact O-N 3.36Å; I476-R480 VanDerWaalsContact O-N 3.07Å; I477-R480 PolarHBondContact O-N 3.42Å; R480-F482 VanDerWaalsContact C-N 3.32Å; R480-F482 PolarHBondContact O-N 3.23Å; R480-G483 PolarHBondContact O-N 2.89Å; R480-L484 WeakPolarHBondContact O-CB 3.29Å; R480-L484 PolarHBondContact O-N 3.2Å; R480-L651 HydrophobicContact CB-CD2 3.61Å |
| 481 | C | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.4 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | Y395 P405 I477 V478 F485 | Y395-C481 WeakPolarHBondContact OH-CB 3.29Å; Y395-C481 PolarHBondContact OH-SG 2.9Å; P405-C481 HydrophobicContact CG-CB 3.86Å; I477-C481 PolarHBondContact O-N 2.99Å; I477-C481 PolarHBondContact O-SG 3.48Å; I477-C481 VanDerWaalsContact O-SG 3.39Å; V478-C481 PolarHBondContact O-N 2.87Å; C481-F485 WeakPolarHBondContact O-CB 3.4Å; C481-F485 PolarHBondContact O-N 3.33Å |
| 482 | F | 91.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 175 | 177.3 | -102.3 | 0 | 0 | 0 | 112.2 | V407 N408 C411 L414 F468 V478 R480 L484 F485 A486 T902 | V407-F482 HydrophobicContact CG1-CB 4.44Å; V407-F482 HydrophobicContact CG1-CD2 3.77Å; V407-F482 HydrophobicContact CG1-CE2 4.24Å; V407-F482 HydrophobicContact CG1-CG 4.14Å; N408-F482 VanDerWaalsContact OD1-CA 3.25Å; N408-F482 WeakPolarHBondContact OD1-CA 3.29Å; C411-F482 WeakPolarHBondContact SG-CE2 3.27Å; L414-F482 HydrophobicContact CD1-CE2 4.48Å; L414-F482 HydrophobicContact CD1-CZ 3.93Å; F468-F482 HydrophobicContact CD1-CE1 4.21Å; F468-F482 AromaticContact CE1-CE1 3.96Å; F468-F482 HydrophobicContact CE1-CE1 3.96Å; F468-F482 HydrophobicContact CE1-CZ 4.09Å; V478-F482 VanDerWaalsContact O-CB 3.25Å; V478-F482 WeakPolarHBondContact O-CB 3.25Å; V478-F482 PolarHBondContact O-N 3.49Å; R480-F482 VanDerWaalsContact C-N 3.32Å; R480-F482 PolarHBondContact O-N 3.23Å; F482-L484 PolarHBondContact O-N 3Å; F482-F485 PolarHBondContact O-N 2.99Å; F482-A486 HydrophobicContact CE2-CB 4.49Å; F482-A486 HydrophobicContact CZ-CB 4.37Å; F482-A486 WeakPolarHBondContact O-CB 3.38Å; F482-A486 PolarHBondContact O-N 3.38Å; F482-T902 HydrophobicContact CD1-CG2 3.91Å; F482-T902 HydrophobicContact CE1-CG2 4.44Å |
| 483 | G | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F468 V479 R480 G487 | F468-G483 WeakPolarHBondContact O-CA 3.45Å; V479-G483 PolarHBondContact O-N 2.65Å; R480-G483 PolarHBondContact O-N 2.89Å; G483-G487 PolarHBondContact O-N 2.97Å |
| 484 | L | 94.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 12.6 Ų | 12.6 | 13% | 0.126 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -53.6 | 175.2 | -175 | 59.3 | 0 | 0 | 0 | 110.9 | Y395 C399 V401 Y469 L472 R480 F482 T488 L651 | Y395-L484 HydrophobicContact CD2-CD2 4.02Å; Y395-L484 HydrophobicContact CD2-CG 4.19Å; Y395-L484 HydrophobicContact CE2-CB 4.46Å; Y395-L484 HydrophobicContact CE2-CD2 4.03Å; Y395-L484 HydrophobicContact CE2-CG 4.4Å; C399-L484 HydrophobicContact CB-CD2 4.45Å; V401-L484 HydrophobicContact CG2-CD2 4.21Å; Y469-L484 HydrophobicContact CE1-CD1 4.21Å; L472-L484 HydrophobicContact CD2-CB 3.94Å; R480-L484 WeakPolarHBondContact O-CB 3.29Å; R480-L484 PolarHBondContact O-N 3.2Å; F482-L484 PolarHBondContact O-N 3Å; L484-T488 WeakPolarHBondContact O-CG2 3.24Å; L484-T488 PolarHBondContact O-N 3.43Å; L484-T488 PolarHBondContact O-OG1 3.47Å; L484-L651 HydrophobicContact CD2-CD1 4.46Å |
| 485 | F | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.4 | -51.1 | -175.2 | -175.4 | -116.7 | 0 | 0 | 0 | 111.5 | F388 Y395 F404 N408 C411 C481 F482 G487 T488 V489 | F388-F485 HydrophobicContact CD2-CE1 4.39Å; F388-F485 HydrophobicContact CD2-CZ 4.12Å; F388-F485 HydrophobicContact CE1-CZ 4.16Å; F388-F485 AromaticContact CE2-CE1 3.59Å; F388-F485 HydrophobicContact CE2-CE1 3.59Å; F388-F485 AromaticContact CE2-CZ 3.59Å; F388-F485 HydrophobicContact CE2-CZ 3.59Å; F388-F485 AromaticContact CZ-CE1 3.82Å; F388-F485 HydrophobicContact CZ-CE1 3.82Å; F388-F485 AromaticContact CZ-CZ 3.61Å; F388-F485 HydrophobicContact CZ-CZ 3.61Å; Y395-F485 HydrophobicContact CD2-CB 3.92Å; Y395-F485 HydrophobicContact CD2-CD2 4.09Å; Y395-F485 HydrophobicContact CD2-CG 4.44Å; Y395-F485 HydrophobicContact CE2-CB 4.06Å; Y395-F485 HydrophobicContact CG-CD2 4.1Å; F404-F485 HydrophobicContact CE2-CD1 4.36Å; F404-F485 HydrophobicContact CE2-CD2 4.48Å; F404-F485 HydrophobicContact CE2-CE1 4.15Å; F404-F485 HydrophobicContact CE2-CE2 4.29Å; F404-F485 HydrophobicContact CE2-CZ 4.13Å; F404-F485 HydrophobicContact CZ-CE1 4.22Å; F404-F485 HydrophobicContact CZ-CZ 4.4Å; N408-F485 HydrophobicContact CB-CD1 3.73Å; N408-F485 HydrophobicContact CB-CE1 4.14Å; N408-F485 HydrophobicContact CB-CG 4.5Å; C411-F485 HydrophobicContact CB-CD1 4.13Å; C411-F485 HydrophobicContact CB-CE1 3.94Å; C481-F485 WeakPolarHBondContact O-CB 3.4Å; C481-F485 PolarHBondContact O-N 3.33Å; F482-F485 PolarHBondContact O-N 2.99Å; F485-G487 PolarHBondContact O-N 2.95Å; F485-T488 PolarHBondContact O-N 3.49Å; F485-T488 PolarHBondContact O-OG1 3.5Å; F485-V489 HydrophobicContact CD1-CG2 4.35Å; F485-V489 HydrophobicContact CD2-CG2 4.33Å; F485-V489 HydrophobicContact CE1-CG2 4.05Å; F485-V489 HydrophobicContact CE2-CG2 4.01Å; F485-V489 HydrophobicContact CG-CG2 4.48Å; F485-V489 HydrophobicContact CZ-CG2 3.86Å; F485-V489 VanDerWaalsContact O-CG2 3.29Å; F485-V489 WeakPolarHBondContact O-CG2 3.39Å; F485-V489 PolarHBondContact O-N 3.4Å |
| 486 | A | 92.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F468 F482 V489 T490 | F468-A486 HydrophobicContact CB-CB 4.24Å; F468-A486 HydrophobicContact CD1-CB 3.36Å; F468-A486 HydrophobicContact CD2-CB 4.01Å; F468-A486 HydrophobicContact CE1-CB 3.48Å; F468-A486 VanDerWaalsContact CE1-CB 3.48Å; F468-A486 HydrophobicContact CE2-CB 4.15Å; F468-A486 HydrophobicContact CG-CB 3.62Å; F468-A486 HydrophobicContact CZ-CB 3.88Å; F482-A486 HydrophobicContact CE2-CB 4.49Å; F482-A486 HydrophobicContact CZ-CB 4.37Å; F482-A486 WeakPolarHBondContact O-CB 3.38Å; F482-A486 PolarHBondContact O-N 3.38Å; A486-V489 PolarHBondContact O-N 2.8Å; A486-T490 WeakPolarHBondContact O-CG2 3.15Å; A486-T490 PolarHBondContact O-N 3.25Å; A486-T490 PolarHBondContact O-OG1 3.06Å |
| 487 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G483 F485 V489 T490 L491 | G483-G487 PolarHBondContact O-N 2.97Å; F485-G487 PolarHBondContact O-N 2.95Å; G487-V489 PolarHBondContact O-N 2.68Å; G487-T490 PolarHBondContact O-N 2.91Å; G487-T490 PolarHBondContact O-OG1 3.04Å; G487-L491 PolarHBondContact O-N 2.95Å |
| 488 | T | 94.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | S391 I394 Y469 L484 F485 L491 C492 | S391-T488 PolarHBondContact OG-O 3.17Å; I394-T488 HydrophobicContact CG2-CG2 4.33Å; Y469-T488 VanDerWaalsContact OH-CG2 3.24Å; Y469-T488 WeakPolarHBondContact OH-CG2 3.31Å; Y469-T488 PolarHBondContact OH-N 3.24Å; L484-T488 WeakPolarHBondContact O-CG2 3.24Å; L484-T488 PolarHBondContact O-N 3.43Å; L484-T488 PolarHBondContact O-OG1 3.47Å; F485-T488 PolarHBondContact O-N 3.49Å; F485-T488 PolarHBondContact O-OG1 3.5Å; T488-L491 PolarHBondContact O-N 3.48Å; T488-C492 VanDerWaalsContact O-CB 3.29Å; T488-C492 WeakPolarHBondContact O-CB 3.25Å; T488-C492 PolarHBondContact O-N 3.09Å; T488-C492 PolarHBondContact O-SG 3.4Å |
| 489 | V | 95.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.024 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.1 | 168 | 0 | 0 | 0 | 0 | 111.7 | S391 L415 F485 A486 G487 C492 N493 | S391-V489 VanDerWaalsContact CB-CG2 3.42Å; S391-V489 VanDerWaalsContact OG-CA 3.25Å; S391-V489 WeakPolarHBondContact OG-CA 3.45Å; L415-V489 HydrophobicContact CB-CG1 4.25Å; L415-V489 HydrophobicContact CD1-CG1 3.79Å; L415-V489 HydrophobicContact CD2-CG1 3.78Å; L415-V489 HydrophobicContact CG-CG1 4.12Å; F485-V489 HydrophobicContact CD1-CG2 4.35Å; F485-V489 HydrophobicContact CD2-CG2 4.33Å; F485-V489 HydrophobicContact CE1-CG2 4.05Å; F485-V489 HydrophobicContact CE2-CG2 4.01Å; F485-V489 HydrophobicContact CG-CG2 4.48Å; F485-V489 HydrophobicContact CZ-CG2 3.86Å; F485-V489 VanDerWaalsContact O-CG2 3.29Å; F485-V489 WeakPolarHBondContact O-CG2 3.39Å; F485-V489 PolarHBondContact O-N 3.4Å; A486-V489 PolarHBondContact O-N 2.8Å; G487-V489 PolarHBondContact O-N 2.68Å; V489-C492 PolarHBondContact O-N 3.13Å; V489-N493 VanDerWaalsContact O-CB 3.26Å; V489-N493 WeakPolarHBondContact O-CB 3.41Å; V489-N493 PolarHBondContact O-N 3.12Å |
| 490 | T | 92.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 19.1 Ų | 19.1 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 178.1 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | A465 F468 A486 G487 N493 Y494 | A465-T490 WeakPolarHBondContact CA-OG1 3.27Å; A465-T490 WeakPolarHBondContact CB-OG1 3.23Å; F468-T490 HydrophobicContact CD2-CG2 3.85Å; F468-T490 HydrophobicContact CE2-CG2 3.6Å; A486-T490 WeakPolarHBondContact O-CG2 3.15Å; A486-T490 PolarHBondContact O-N 3.25Å; A486-T490 PolarHBondContact O-OG1 3.06Å; G487-T490 PolarHBondContact O-N 2.91Å; G487-T490 PolarHBondContact O-OG1 3.04Å; T490-N493 PolarHBondContact O-N 3.49Å; T490-Y494 PolarHBondContact O-N 3.15Å |
| 491 | L | 93.1 | Very high | 92.6 | Very high | 69 Ų | 69 | 17 Ų | 17 | 36% | 0.361 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 177 | -71 | -178 | 0 | 0 | 0 | 113 | A465 Y469 G487 T488 N493 Y494 A495 | A465-L491 HydrophobicContact CB-CD1 4.48Å; A465-L491 HydrophobicContact CB-CD2 3.76Å; A465-L491 HydrophobicContact CB-CG 3.78Å; Y469-L491 HydrophobicContact CE2-CD1 3.74Å; Y469-L491 HydrophobicContact CE2-CG 4.48Å; G487-L491 PolarHBondContact O-N 2.95Å; T488-L491 PolarHBondContact O-N 3.48Å; L491-N493 VanDerWaalsContact C-N 3.32Å; L491-Y494 PolarHBondContact O-N 3.49Å; L491-A495 WeakPolarHBondContact O-CB 3.43Å; L491-A495 PolarHBondContact O-N 2.99Å |
| 492 | C | 94.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 11% | 0.108 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 174.8 | -73 | 0 | 0 | 0 | 0 | 111.4 | S391 T488 V489 Y494 A495 L496 | S391-C492 VanDerWaalsContact OG-CB 3.29Å; S391-C492 WeakPolarHBondContact OG-CB 3.23Å; S391-C492 PolarHBondContact OG-SG 3.23Å; S391-C492 VanDerWaalsContact OG-SG 3.33Å; T488-C492 VanDerWaalsContact O-CB 3.29Å; T488-C492 WeakPolarHBondContact O-CB 3.25Å; T488-C492 PolarHBondContact O-N 3.09Å; T488-C492 PolarHBondContact O-SG 3.4Å; V489-C492 PolarHBondContact O-N 3.13Å; C492-Y494 PolarHBondContact O-N 3.07Å; C492-A495 PolarHBondContact O-N 3.02Å; C492-L496 WeakPolarHBondContact O-CB 3.29Å; C492-L496 PolarHBondContact O-N 3.49Å |
| 493 | N | 93.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.1 | -176.6 | 56.1 | 0 | 0 | 0 | 111.5 | M384 S387 L415 V489 T490 L491 S497 | M384-N493 PolarHBondContact SD-OD1 3.28Å; M384-N493 VanDerWaalsContact SD-OD1 3.33Å; S387-N493 WeakPolarHBondContact OG-CA 3.37Å; L415-N493 HydrophobicContact CD1-CB 3.93Å; V489-N493 VanDerWaalsContact O-CB 3.26Å; V489-N493 WeakPolarHBondContact O-CB 3.41Å; V489-N493 PolarHBondContact O-N 3.12Å; T490-N493 PolarHBondContact O-N 3.49Å; L491-N493 VanDerWaalsContact C-N 3.32Å; N493-S497 WeakPolarHBondContact O-CB 3.3Å; N493-S497 PolarHBondContact O-N 3.02Å; N493-S497 PolarHBondContact O-OG 3.07Å |
| 494 | Y | 92.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 17.2 Ų | 17.2 | 15% | 0.153 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.9 | -51.8 | 174 | 173.1 | -103.6 | 0 | 0 | 0 | 112 | C454 M457 F458 T490 L491 C492 L496 S497 I498 | C454-Y494 PolarHBondContact O-OH 3.26Å; M457-Y494 HydrophobicContact CB-CD2 4.26Å; M457-Y494 HydrophobicContact CB-CE2 4.15Å; F458-Y494 VanDerWaalsContact CA-CE2 3.41Å; F458-Y494 HydrophobicContact CB-CE1 4.48Å; F458-Y494 HydrophobicContact CB-CE2 3.72Å; F458-Y494 WeakPolarHBondContact CB-OH 3.45Å; F458-Y494 HydrophobicContact CD2-CD1 4.21Å; F458-Y494 AromaticContact CD2-CE1 3.6Å; F458-Y494 HydrophobicContact CD2-CE1 3.6Å; F458-Y494 HydrophobicContact CD2-CE2 4.28Å; F458-Y494 AromaticContact CD2-CZ 3.65Å; F458-Y494 HydrophobicContact CE2-CE1 4.39Å; F458-Y494 HydrophobicContact CG-CE1 4.49Å; T490-Y494 PolarHBondContact O-N 3.15Å; L491-Y494 PolarHBondContact O-N 3.49Å; C492-Y494 PolarHBondContact O-N 3.07Å; Y494-L496 VanDerWaalsContact C-N 3.34Å; Y494-L496 PolarHBondContact O-N 3.49Å; Y494-S497 PolarHBondContact O-N 3.43Å; Y494-S497 VanDerWaalsContact O-N 3.16Å; Y494-I498 HydrophobicContact CD2-CG2 4.03Å; Y494-I498 HydrophobicContact CE1-CD1 4.05Å; Y494-I498 HydrophobicContact CE1-CG2 4.28Å; Y494-I498 HydrophobicContact CE2-CG2 3.49Å; Y494-I498 VanDerWaalsContact CE2-CG2 3.49Å; Y494-I498 PolarHBondContact O-N 3.11Å |
| 495 | A | 92.9 | Very high | 91.8 | Very high | 49 Ų | 49 | 16.6 Ų | 16.6 | 41% | 0.405 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -60.6 | -41.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L491 C492 I498 | L491-A495 WeakPolarHBondContact O-CB 3.43Å; L491-A495 PolarHBondContact O-N 2.99Å; C492-A495 PolarHBondContact O-N 3.02Å; A495-I498 VanDerWaalsContact O-CG1 3.24Å; A495-I498 WeakPolarHBondContact O-CG1 3.48Å |
| 496 | L | 92.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.4 | -41.7 | 175.2 | -74.7 | 166.9 | 0 | 0 | 0 | 111.1 | F386 S387 C492 Y494 I498 V499 W500 | F386-L496 HydrophobicContact CB-CD1 4.15Å; S387-L496 VanDerWaalsContact OG-CD1 3.29Å; S387-L496 WeakPolarHBondContact OG-CD1 3.5Å; C492-L496 WeakPolarHBondContact O-CB 3.29Å; C492-L496 PolarHBondContact O-N 3.49Å; Y494-L496 VanDerWaalsContact C-N 3.34Å; Y494-L496 PolarHBondContact O-N 3.49Å; L496-I498 PolarHBondContact O-N 2.97Å; L496-V499 PolarHBondContact O-N 3.38Å; L496-W500 WeakPolarHBondContact O-CB 3.43Å; L496-W500 PolarHBondContact O-N 3.48Å |
| 497 | S | 89.9 | Confident | 91.2 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | -179.7 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | N493 Y494 V499 L501 P502 | N493-S497 WeakPolarHBondContact O-CB 3.3Å; N493-S497 PolarHBondContact O-N 3.02Å; N493-S497 PolarHBondContact O-OG 3.07Å; Y494-S497 PolarHBondContact O-N 3.43Å; Y494-S497 VanDerWaalsContact O-N 3.16Å; S497-V499 VanDerWaalsContact C-N 3.32Å; S497-V499 PolarHBondContact O-N 3.31Å; S497-L501 VanDerWaalsContact O-CB 3.31Å; S497-L501 WeakPolarHBondContact O-CB 3.14Å; S497-L501 PolarHBondContact O-N 3.43Å; S497-P502 VanDerWaalsContact O-CD 3.25Å; S497-P502 WeakPolarHBondContact O-CD 3.48Å |
| 498 | I | 90 | Very high | 90.8 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 14% | 0.138 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.5 | -21.1 | 179.7 | 64.3 | 168.8 | 0 | 0 | 0 | 114.3 | M1 C454 Y494 A495 L496 P502 | M1-I498 HydrophobicContact CE-CD1 3.78Å; M1-I498 HydrophobicContact CE-CG1 4.27Å; M1-I498 HydrophobicContact SD-CD1 4.21Å; C454-I498 HydrophobicContact CB-CG2 4.43Å; Y494-I498 HydrophobicContact CD2-CG2 4.03Å; Y494-I498 HydrophobicContact CE1-CD1 4.05Å; Y494-I498 HydrophobicContact CE1-CG2 4.28Å; Y494-I498 HydrophobicContact CE2-CG2 3.49Å; Y494-I498 VanDerWaalsContact CE2-CG2 3.49Å; Y494-I498 PolarHBondContact O-N 3.11Å; A495-I498 VanDerWaalsContact O-CG1 3.24Å; A495-I498 WeakPolarHBondContact O-CG1 3.48Å; L496-I498 PolarHBondContact O-N 2.97Å; I498-P502 WeakPolarHBondContact O-CD 3.33Å; I498-P502 WeakPolarHBondContact O-CG 3.31Å |
| 499 | V | 91.3 | Very high | 90.3 | Very high | 33 Ų | 33 | 22.3 Ų | 22.3 | 20% | 0.2 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -98.2 | -50.3 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | M1 C12 L496 S497 S503 | M1-V499 HydrophobicContact CE-CG2 3.46Å; M1-V499 VanDerWaalsContact CE-CG2 3.46Å; C12-V499 HydrophobicContact CB-CG1 4.29Å; L496-V499 PolarHBondContact O-N 3.38Å; S497-V499 VanDerWaalsContact C-N 3.32Å; S497-V499 PolarHBondContact O-N 3.31Å; V499-S503 VanDerWaalsContact O-CB 3.27Å; V499-S503 WeakPolarHBondContact O-CB 3.27Å; V499-S503 PolarHBondContact O-N 2.84Å; V499-S503 PolarHBondContact O-OG 3.47Å |
| 500 | W | 91.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 27.3 Ų | 27.3 | 8% | 0.076 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.4 | -49.9 | -172.7 | 176.5 | -106.7 | 0 | 0 | 0 | 112.5 | A13 F17 L379 I382 L496 S503 A504 | A13-W500 HydrophobicContact CB-CZ3 4.31Å; A13-W500 WeakPolarHBondContact O-CZ3 3.22Å; F17-W500 HydrophobicContact CB-CH2 4.19Å; F17-W500 HydrophobicContact CB-CZ3 3.78Å; F17-W500 AromaticContact CD2-CH2 3.66Å; F17-W500 HydrophobicContact CD2-CH2 3.66Å; F17-W500 HydrophobicContact CD2-CZ2 4.47Å; F17-W500 HydrophobicContact CD2-CZ3 4.12Å; F17-W500 HydrophobicContact CG-CH2 4.37Å; F17-W500 HydrophobicContact CG-CZ3 4.44Å; L379-W500 HydrophobicContact CD2-CZ2 3.73Å; L379-W500 PolarHBondContact O-NE1 3.33Å; I382-W500 HydrophobicContact CB-CZ2 4.39Å; I382-W500 HydrophobicContact CG2-CZ2 3.87Å; L496-W500 WeakPolarHBondContact O-CB 3.43Å; L496-W500 PolarHBondContact O-N 3.48Å; W500-S503 PolarHBondContact O-N 2.78Å; W500-S503 PolarHBondContact O-OG 2.83Å; W500-A504 VanDerWaalsContact O-CB 3.23Å; W500-A504 WeakPolarHBondContact O-CB 3.03Å; W500-A504 PolarHBondContact O-N 3.41Å |
| 501 | L | 89.2 | Confident | 89.2 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | -174.7 | -63.1 | 172.3 | 0 | 0 | 0 | 112.4 | Y376 Y380 F426 S497 T505 | Y376-L501 HydrophobicContact CE2-CD2 4.4Å; Y380-L501 HydrophobicContact CD2-CD1 4.41Å; Y380-L501 HydrophobicContact CD2-CD2 4.28Å; F426-L501 HydrophobicContact CD1-CB 4.32Å; F426-L501 HydrophobicContact CE1-CB 4.34Å; S497-L501 VanDerWaalsContact O-CB 3.31Å; S497-L501 WeakPolarHBondContact O-CB 3.14Å; S497-L501 PolarHBondContact O-N 3.43Å; L501-T505 WeakPolarHBondContact O-CB 3.5Å; L501-T505 VanDerWaalsContact O-CG2 3.26Å; L501-T505 WeakPolarHBondContact O-CG2 3.18Å; L501-T505 PolarHBondContact O-N 3.44Å; L501-T505 PolarHBondContact O-OG1 3.38Å |
| 502 | P | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.2 | -38.9 | 178.3 | -21 | 32.6 | 0 | 0 | 0 | 114.1 | V5 F426 M450 S497 I498 T505 M506 | V5-P502 HydrophobicContact CG1-CB 3.99Å; F426-P502 HydrophobicContact CE2-CB 4.29Å; F426-P502 HydrophobicContact CE2-CG 3.7Å; F426-P502 HydrophobicContact CZ-CB 3.87Å; F426-P502 HydrophobicContact CZ-CG 3.69Å; M450-P502 HydrophobicContact SD-CB 3.35Å; M450-P502 WeakPolarHBondContact SD-CB 3.3Å; M450-P502 HydrophobicContact SD-CG 3.54Å; M450-P502 VanDerWaalsContact SD-CG 3.54Å; S497-P502 VanDerWaalsContact O-CD 3.25Å; S497-P502 WeakPolarHBondContact O-CD 3.48Å; I498-P502 WeakPolarHBondContact O-CD 3.33Å; I498-P502 WeakPolarHBondContact O-CG 3.31Å; P502-T505 WeakPolarHBondContact CA-OG1 3.05Å; P502-T505 PolarHBondContact O-OG1 3.22Å; P502-T505 VanDerWaalsContact O-OG1 3.1Å; P502-M506 VanDerWaalsContact O-CB 3.23Å; P502-M506 WeakPolarHBondContact O-CB 3.11Å; P502-M506 PolarHBondContact O-N 3.11Å |
| 503 | S | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 179 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | P9 V499 W500 M506 L507 | P9-S503 WeakPolarHBondContact O-CB 3.37Å; V499-S503 VanDerWaalsContact O-CB 3.27Å; V499-S503 WeakPolarHBondContact O-CB 3.27Å; V499-S503 PolarHBondContact O-N 2.84Å; V499-S503 PolarHBondContact O-OG 3.47Å; W500-S503 PolarHBondContact O-N 2.78Å; W500-S503 PolarHBondContact O-OG 2.83Å; S503-M506 PolarHBondContact O-N 3.32Å; S503-L507 VanDerWaalsContact O-CG 3.32Å; S503-L507 WeakPolarHBondContact O-CG 3.21Å; S503-L507 PolarHBondContact O-N 3.23Å |
| 504 | A | 88.2 | Confident | 86.6 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L379 W500 L507 L508 | L379-A504 HydrophobicContact CD1-CB 3.53Å; L379-A504 HydrophobicContact CD2-CB 3.74Å; L379-A504 HydrophobicContact CG-CB 4.18Å; W500-A504 VanDerWaalsContact O-CB 3.23Å; W500-A504 WeakPolarHBondContact O-CB 3.03Å; W500-A504 PolarHBondContact O-N 3.41Å; A504-L507 PolarHBondContact O-N 3.07Å; A504-L508 WeakPolarHBondContact O-CG 3.46Å; A504-L508 PolarHBondContact O-N 2.67Å |
| 505 | T | 86.7 | Confident | 85.2 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 175 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | Y376 F426 L501 P502 L507 L508 R509 | Y376-T505 HydrophobicContact CD2-CG2 3.58Å; Y376-T505 HydrophobicContact CE2-CG2 3.56Å; F426-T505 HydrophobicContact CE1-CG2 4.1Å; L501-T505 WeakPolarHBondContact O-CB 3.5Å; L501-T505 VanDerWaalsContact O-CG2 3.26Å; L501-T505 WeakPolarHBondContact O-CG2 3.18Å; L501-T505 PolarHBondContact O-N 3.44Å; L501-T505 PolarHBondContact O-OG1 3.38Å; P502-T505 WeakPolarHBondContact CA-OG1 3.05Å; P502-T505 PolarHBondContact O-OG1 3.22Å; P502-T505 VanDerWaalsContact O-OG1 3.1Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.07Å; T505-L508 PolarHBondContact O-N 3.1Å; T505-R509 WeakPolarHBondContact O-CB 3.4Å; T505-R509 PolarHBondContact O-N 3.11Å |
| 506 | M | 88 | Confident | 83.7 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.2 | 180 | 60.2 | 84.8 | 0 | 0 | 111.6 | L6 P9 W430 L443 L446 P502 S503 R509 R510 | L6-M506 HydrophobicContact CB-CE 4.24Å; L6-M506 HydrophobicContact CD2-CE 3.43Å; L6-M506 VanDerWaalsContact CD2-CE 3.43Å; L6-M506 HydrophobicContact CG-CE 4.4Å; P9-M506 HydrophobicContact CB-CB 4.07Å; P9-M506 HydrophobicContact CB-CG 4.01Å; P9-M506 HydrophobicContact CG-CB 4.46Å; P9-M506 HydrophobicContact CG-CG 3.87Å; W430-M506 HydrophobicContact CH2-CB 4.28Å; W430-M506 HydrophobicContact CH2-CE 3.96Å; L443-M506 HydrophobicContact CD2-CE 4.16Å; L446-M506 HydrophobicContact CD1-CE 4.12Å; P502-M506 VanDerWaalsContact O-CB 3.23Å; P502-M506 WeakPolarHBondContact O-CB 3.11Å; P502-M506 PolarHBondContact O-N 3.11Å; S503-M506 PolarHBondContact O-N 3.32Å; M506-R509 PolarHBondContact O-N 2.92Å; M506-R510 WeakPolarHBondContact O-CG 3.29Å; M506-R510 PolarHBondContact O-N 2.86Å; M506-R510 HydrophobicContact SD-CG 4.42Å |
| 507 | L | 86.6 | Confident | 81.8 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.1 | -73.1 | 167.9 | 0 | 0 | 0 | 112 | P9 A13 S503 A504 T505 R509 R510 R511 | P9-L507 HydrophobicContact CB-CD2 4.41Å; P9-L507 HydrophobicContact CB-CG 4.12Å; P9-L507 HydrophobicContact CG-CD2 4.22Å; P9-L507 HydrophobicContact CG-CG 4.42Å; A13-L507 HydrophobicContact CB-CD1 3.75Å; S503-L507 VanDerWaalsContact O-CG 3.32Å; S503-L507 WeakPolarHBondContact O-CG 3.21Å; S503-L507 PolarHBondContact O-N 3.23Å; A504-L507 PolarHBondContact O-N 3.07Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.07Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.16Å; L507-R510 PolarHBondContact O-N 2.92Å; L507-R511 PolarHBondContact O-N 2.88Å |
| 508 | L | 84.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.8 | -74.5 | 175.3 | 0 | 0 | 0 | 111.5 | C375 L379 A504 T505 R512 | C375-L508 HydrophobicContact CB-CD1 3.95Å; C375-L508 HydrophobicContact CB-CD2 4.15Å; L379-L508 HydrophobicContact CD1-CD1 3.42Å; L379-L508 VanDerWaalsContact CD1-CD1 3.42Å; L379-L508 HydrophobicContact CD1-CG 4.25Å; A504-L508 WeakPolarHBondContact O-CG 3.46Å; A504-L508 PolarHBondContact O-N 2.67Å; T505-L508 PolarHBondContact O-N 3.1Å; L508-R512 WeakPolarHBondContact O-CB 3.07Å; L508-R512 WeakPolarHBondContact O-CG 3.36Å; L508-R512 PolarHBondContact O-N 3.4Å |
| 509 | R | 84.1 | Confident | 77.4 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 174.7 | -177.6 | 178.7 | 176.2 | -83.3 | -3.8 | 111.7 | E434 T505 M506 L507 R511 R512 L513 | E434-R509 WeakPolarHBondContact OE1-CD 3.36Å; E434-R509 IonicContact OE1-NE 3.6Å; E434-R509 PolarHBondContact OE1-NE 2.7Å; T505-R509 WeakPolarHBondContact O-CB 3.4Å; T505-R509 PolarHBondContact O-N 3.11Å; M506-R509 PolarHBondContact O-N 2.92Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.16Å; R509-R511 VanDerWaalsContact C-N 3.3Å; R509-R511 PolarHBondContact O-N 2.9Å; R509-R512 PolarHBondContact O-N 3.43Å; R509-L513 HydrophobicContact CG-CD1 3.99Å; R509-L513 PolarHBondContact O-N 3.34Å |
| 510 | R | 84.2 | Confident | 74.8 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 177.5 | -72.7 | -177.1 | -174 | -170.5 | 4.8 | 111.6 | L6 K7 M506 L507 A514 | L6-R510 PolarHBondContact O-NH2 3.35Å; K7-R510 PolarHBondContact O-NH2 3.22Å; M506-R510 WeakPolarHBondContact O-CG 3.29Å; M506-R510 PolarHBondContact O-N 2.86Å; M506-R510 HydrophobicContact SD-CG 4.42Å; L507-R510 PolarHBondContact O-N 2.92Å; R510-A514 WeakPolarHBondContact O-CB 3.38Å; R510-A514 PolarHBondContact O-N 2.89Å |
| 511 | R | 80.8 | Confident | 72.4 | Confident | 174 Ų | 174 | 76.3 Ų | 76.3 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 174.9 | -77.8 | -168.3 | 174.6 | -168.8 | 0.7 | 112.8 | L507 R509 L513 A514 C515 | L507-R511 PolarHBondContact O-N 2.88Å; R509-R511 VanDerWaalsContact C-N 3.3Å; R509-R511 PolarHBondContact O-N 2.9Å; R511-L513 VanDerWaalsContact C-N 3.32Å; R511-L513 PolarHBondContact O-N 2.82Å; R511-A514 PolarHBondContact O-N 3.08Å; R511-C515 PolarHBondContact O-N 3.12Å; R511-C515 VanDerWaalsContact O-N 3.15Å; R511-C515 PolarHBondContact O-SG 3.06Å |
| 512 | R | 76.2 | Confident | 69.9 | Low | 144 Ų | 144 | 82.8 Ų | 82.8 | 54% | 0.543 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 175.8 | -82.1 | -171.1 | -75.5 | 167.7 | 0.6 | 111.7 | L508 R509 C515 A516 | L508-R512 WeakPolarHBondContact O-CB 3.07Å; L508-R512 WeakPolarHBondContact O-CG 3.36Å; L508-R512 PolarHBondContact O-N 3.4Å; R509-R512 PolarHBondContact O-N 3.43Å; R512-C515 PolarHBondContact O-N 3.18Å; R512-A516 PolarHBondContact O-N 3.02Å |
| 513 | L | 75.8 | Confident | 67.6 | Low | 94 Ų | 94 | 90.6 Ų | 90.6 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 177.3 | -74 | 162.9 | 0 | 0 | 0 | 113 | R509 R511 C515 A516 | R509-L513 HydrophobicContact CG-CD1 3.99Å; R509-L513 PolarHBondContact O-N 3.34Å; R511-L513 VanDerWaalsContact C-N 3.32Å; R511-L513 PolarHBondContact O-N 2.82Å; L513-C515 VanDerWaalsContact C-N 3.25Å; L513-C515 PolarHBondContact O-N 2.78Å; L513-A516 PolarHBondContact O-N 3.2Å |
| 514 | A | 74.7 | Confident | 65.3 | Low | 85 Ų | 85 | 96.7 Ų | 96.7 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -28.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | R510 R511 | R510-A514 WeakPolarHBondContact O-CB 3.38Å; R510-A514 PolarHBondContact O-N 2.89Å; R511-A514 PolarHBondContact O-N 3.08Å |
| 515 | C | 62.3 | Low | 62.9 | Low | 76 Ų | 76 | 108.1 Ų | 108.1 | 51% | 0.514 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -2.5 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 114.2 | R511 R512 L513 | R511-C515 PolarHBondContact O-N 3.12Å; R511-C515 VanDerWaalsContact O-N 3.15Å; R511-C515 PolarHBondContact O-SG 3.06Å; R512-C515 PolarHBondContact O-N 3.18Å; L513-C515 VanDerWaalsContact C-N 3.25Å; L513-C515 PolarHBondContact O-N 2.78Å |
| 516 | A | 61.5 | Low | 60.5 | Low | 52 Ų | 52 | 119.5 Ų | 119.5 | 43% | 0.43 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -66.8 | 129.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R512 L513 R518 | R512-A516 PolarHBondContact O-N 3.02Å; L513-A516 PolarHBondContact O-N 3.2Å; A516-R518 PolarHBondContact O-N 3.45Å |
| 517 | P | 52.9 | Low | 58.1 | Low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | trans | -64.9 | 99.7 | 179 | 25.7 | -30.9 | 0 | 0 | 0 | 108.3 | G519 | P517-G519 PolarHBondContact O-N 3.31Š| ||
| 518 | R | 47 | Very low | 55.6 | Low | 234 Ų | 234 | 129.6 Ų | 129.6 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -58.7 | 121.8 | 160.2 | -85.8 | -178.2 | 174.2 | 161.4 | -2.1 | 105.7 | A516 N520 | A516-R518 PolarHBondContact O-N 3.45Å; R518-N520 VanDerWaalsContact C-N 3.34Å; R518-N520 PolarHBondContact O-N 2.94Å | ||
| 519 | G | 40.8 | Very low | 53.5 | Low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -46.2 | 96 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P517 | P517-G519 PolarHBondContact O-N 3.31Š|
| 520 | N | 34.8 | Very low | 51.4 | Low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | -167.5 | 96.7 | 153.9 | -113.8 | -21 | 0 | 0 | 0 | 107.7 | R518 N522 | R518-N520 VanDerWaalsContact C-N 3.34Å; R518-N520 PolarHBondContact O-N 2.94Å; N520-N522 PolarHBondContact O-N 3.42Å | ||
| 521 | V | 42.4 | Very low | 49.7 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 4.7 | -170.7 | 173.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 522 | N | 36.7 | Very low | 48.2 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 14.4 | -165.2 | -71.3 | -13.1 | 0 | 0 | 0 | 117.6 | N520 | N520-N522 PolarHBondContact O-N 3.42Š|
| 523 | L | 41 | Very low | 47.1 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -140.3 | 15.3 | -178.2 | -107.5 | 121.2 | 0 | 0 | 0 | 118.8 | ||
| 524 | V | 42.5 | Very low | 45.8 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -109.6 | 70.2 | 173.8 | -169.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 525 | R | 38.3 | Very low | 44.7 | Very low | 247 Ų | 247 | 132.5 Ų | 132.5 | 93% | 0.932 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -122.2 | 15.4 | 168.7 | -151.9 | 177.8 | -179.3 | 157.5 | 1.1 | 113.5 | ||
| 526 | R | 34.5 | Very low | 44.4 | Very low | 249 Ų | 249 | 130.8 Ų | 130.8 | 94% | 0.94 | 70% | 0.7 | S | S | * | * | trans | -149.8 | 64.9 | -173.7 | -129.5 | 174.2 | -177.3 | 164.1 | -0.4 | 113.6 | ||||
| 527 | S | 38 | Very low | 44.1 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | trans | -159.6 | 112.9 | 154.8 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | S529 | S527-S529 PolarHBondContact O-N 3.02Š| ||
| 528 | N | 34.1 | Very low | 44.3 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 97% | 0.973 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -74.5 | 41.8 | -176.8 | -83.4 | -10.6 | 0 | 0 | 0 | 113.9 | ||
| 529 | S | 40.5 | Very low | 44.5 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -117.4 | 23.7 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | S527 | S527-S529 PolarHBondContact O-N 3.02Š| ||
| 530 | F | 40.3 | Very low | 45.2 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | trans | -111.9 | 92.8 | -176.5 | -116.7 | -92.5 | 0 | 0 | 0 | 109.8 | ||||
| 531 | C | 49.6 | Very low | 46.2 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 70% | 0.703 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -157.5 | -19.3 | 161.3 | -135.5 | 0 | 0 | 0 | 0 | 116.5 | C535 | C531-C535 WeakPolarHBondContact O-CB 3.45Š|
| 532 | F | 48.5 | Very low | 46.8 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 74% | 0.737 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.4 | -38.4 | 178.2 | -166.8 | -115.4 | 0 | 0 | 0 | 112.6 | L536 | F532-L536 HydrophobicContact CD1-CD1 3.56Å; F532-L536 HydrophobicContact CE1-CD1 3.17Å; F532-L536 HydrophobicContact CE2-CD1 4.26Å; F532-L536 HydrophobicContact CG-CD1 4.26Å; F532-L536 HydrophobicContact CZ-CD1 3.57Å; F532-L536 WeakPolarHBondContact O-CB 3.41Å; F532-L536 PolarHBondContact O-N 3.18Å |
| 533 | Q | 52.2 | Low | 47.5 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -85.6 | -29 | -170.9 | -148.1 | 157.9 | -25 | 0 | 0 | 113.9 | K537 | Q533-K537 VanDerWaalsContact O-CB 3.29Å; Q533-K537 WeakPolarHBondContact O-CB 3.45Å; Q533-K537 PolarHBondContact O-N 3.32Å |
| 534 | A | 50.1 | Low | 48.1 | Very low | 44 Ų | 44 | 119.2 Ų | 119.2 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.3 | -35.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N538 | A534-N538 VanDerWaalsContact O-CB 3.27Å; A534-N538 WeakPolarHBondContact O-CB 3.12Å; A534-N538 VanDerWaalsContact O-CG 3.31Å; A534-N538 PolarHBondContact O-N 2.77Å |
| 535 | C | 51.2 | Low | 48.5 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 49% | 0.493 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.8 | -43.2 | 173.7 | -171 | 0 | 0 | 0 | 0 | 111.6 | C531 N538 M539 | C531-C535 WeakPolarHBondContact O-CB 3.45Å; C535-N538 PolarHBondContact O-N 2.9Å; C535-M539 VanDerWaalsContact O-CB 3.29Å; C535-M539 WeakPolarHBondContact O-CB 3.22Å; C535-M539 PolarHBondContact O-N 3.32Å |
| 536 | L | 55.4 | Low | 48.9 | Very low | 40 Ų | 40 | 111.7 Ų | 111.7 | 21% | 0.209 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -62.6 | -44.4 | 173.6 | -105 | 149.4 | 0 | 0 | 0 | 112.5 | L374 F532 M539 E540 | L374-L536 HydrophobicContact CD2-CD2 4.13Å; F532-L536 HydrophobicContact CD1-CD1 3.56Å; F532-L536 HydrophobicContact CE1-CD1 3.17Å; F532-L536 HydrophobicContact CE2-CD1 4.26Å; F532-L536 HydrophobicContact CG-CD1 4.26Å; F532-L536 HydrophobicContact CZ-CD1 3.57Å; F532-L536 WeakPolarHBondContact O-CB 3.41Å; F532-L536 PolarHBondContact O-N 3.18Å; L536-M539 PolarHBondContact O-N 3.43Å; L536-E540 WeakPolarHBondContact O-CB 3.43Å; L536-E540 PolarHBondContact O-N 3.12Å |
| 537 | K | 55.4 | Low | 49.5 | Very low | 129 Ų | 129 | 106.6 Ų | 106.6 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.6 | -39.6 | 178.5 | -162.9 | 178.7 | -178.1 | -174.7 | 0 | 111.9 | Q533 E540 D541 | Q533-K537 VanDerWaalsContact O-CB 3.29Å; Q533-K537 WeakPolarHBondContact O-CB 3.45Å; Q533-K537 PolarHBondContact O-N 3.32Å; K537-E540 PolarHBondContact O-N 3.4Å; K537-D541 WeakPolarHBondContact O-CB 3.39Å; K537-D541 PolarHBondContact O-N 3Å |
| 538 | N | 56.5 | Low | 49.9 | Very low | 113 Ų | 113 | 107 Ų | 107 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.1 | -36.4 | 173.3 | -78.1 | -6.5 | 0 | 0 | 0 | 112.5 | A534 C535 Y542 | A534-N538 VanDerWaalsContact O-CB 3.27Å; A534-N538 WeakPolarHBondContact O-CB 3.12Å; A534-N538 VanDerWaalsContact O-CG 3.31Å; A534-N538 PolarHBondContact O-N 2.77Å; C535-N538 PolarHBondContact O-N 2.9Å; N538-Y542 WeakPolarHBondContact O-CB 3.4Å; N538-Y542 PolarHBondContact O-N 2.7Å |
| 539 | M | 52.3 | Low | 50.4 | Low | 101 Ų | 101 | 102 Ų | 102 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 172.5 | -88 | -81.8 | -82.4 | 0 | 0 | 112.1 | C535 L536 Y542 I543 | C535-M539 VanDerWaalsContact O-CB 3.29Å; C535-M539 WeakPolarHBondContact O-CB 3.22Å; C535-M539 PolarHBondContact O-N 3.32Å; L536-M539 PolarHBondContact O-N 3.43Å; M539-Y542 PolarHBondContact O-N 3.44Å; M539-I543 HydrophobicContact CE-CD1 3.46Å; M539-I543 VanDerWaalsContact CE-CD1 3.46Å; M539-I543 VanDerWaalsContact O-CB 3.27Å; M539-I543 WeakPolarHBondContact O-CB 3.45Å; M539-I543 WeakPolarHBondContact O-CG1 3.5Å; M539-I543 PolarHBondContact O-N 3.02Å; M539-I543 HydrophobicContact SD-CD1 3.67Å; M539-I543 HydrophobicContact SD-CG1 4.28Å |
| 540 | E | 54.6 | Low | 50.8 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 175.7 | -162.4 | 171.5 | -158.8 | 0 | 0 | 110 | S373 L536 K537 Y542 V544 G545 | S373-E540 VanDerWaalsContact CB-OE1 3.3Å; S373-E540 WeakPolarHBondContact CB-OE1 3.28Å; L536-E540 WeakPolarHBondContact O-CB 3.43Å; L536-E540 PolarHBondContact O-N 3.12Å; K537-E540 PolarHBondContact O-N 3.4Å; E540-Y542 PolarHBondContact O-N 3.47Å; E540-V544 HydrophobicContact CG-CG2 4.42Å; E540-V544 VanDerWaalsContact O-CA 3.26Å; E540-V544 WeakPolarHBondContact O-CA 2.9Å; E540-V544 WeakPolarHBondContact O-CB 3.43Å; E540-V544 PolarHBondContact O-N 3.17Å; E540-G545 PolarHBondContact O-N 2.67Å |
| 541 | D | 57.2 | Low | 51.4 | Low | 100 Ų | 100 | 104.6 Ų | 104.6 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -31.5 | 174.3 | -73.7 | -26.9 | 0 | 0 | 0 | 112.8 | K537 G545 | K537-D541 WeakPolarHBondContact O-CB 3.39Å; K537-D541 PolarHBondContact O-N 3Å; D541-G545 WeakPolarHBondContact O-CA 3.43Å; D541-G545 PolarHBondContact O-N 3.08Å; D541-G545 VanDerWaalsContact O-N 3.07Å |
| 542 | Y | 53.2 | Low | 52.1 | Low | 185 Ų | 185 | 104 Ų | 104 | 73% | 0.725 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78.7 | -44.4 | 179.4 | -172.4 | -98 | 0 | 0 | 0 | 113.5 | N538 M539 E540 | N538-Y542 WeakPolarHBondContact O-CB 3.4Å; N538-Y542 PolarHBondContact O-N 2.7Å; M539-Y542 PolarHBondContact O-N 3.44Å; E540-Y542 PolarHBondContact O-N 3.47Å |
| 543 | I | 52.6 | Low | 52.9 | Low | 97 Ų | 97 | 101.9 Ų | 101.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84.8 | -43.3 | -178.9 | -63.2 | 177.7 | 0 | 0 | 0 | 110.7 | M539 | M539-I543 HydrophobicContact CE-CD1 3.46Å; M539-I543 VanDerWaalsContact CE-CD1 3.46Å; M539-I543 VanDerWaalsContact O-CB 3.27Å; M539-I543 WeakPolarHBondContact O-CB 3.45Å; M539-I543 WeakPolarHBondContact O-CG1 3.5Å; M539-I543 PolarHBondContact O-N 3.02Å; M539-I543 HydrophobicContact SD-CD1 3.67Å; M539-I543 HydrophobicContact SD-CG1 4.28Å |
| 544 | V | 52 | Low | 53.6 | Low | 25 Ų | 25 | 104.1 Ų | 104.1 | 15% | 0.152 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -36.5 | -175.2 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | E540 K546 M547 K548 | E540-V544 HydrophobicContact CG-CG2 4.42Å; E540-V544 VanDerWaalsContact O-CA 3.26Å; E540-V544 WeakPolarHBondContact O-CA 2.9Å; E540-V544 WeakPolarHBondContact O-CB 3.43Å; E540-V544 PolarHBondContact O-N 3.17Å; V544-K546 VanDerWaalsContact C-N 3.26Å; V544-K546 PolarHBondContact O-N 2.85Å; V544-M547 PolarHBondContact O-N 3.03Å; V544-K548 HydrophobicContact CG1-CB 4.14Å; V544-K548 HydrophobicContact CG1-CD 3.42Å; V544-K548 VanDerWaalsContact CG1-CD 3.42Å; V544-K548 HydrophobicContact CG1-CG 3.55Å; V544-K548 WeakPolarHBondContact O-CB 3.3Å; V544-K548 PolarHBondContact O-N 3.49Å |
| 545 | G | 52.4 | Low | 54.4 | Low | 35 Ų | 35 | 109.2 Ų | 109.2 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E540 D541 S549 | E540-G545 PolarHBondContact O-N 2.67Å; D541-G545 WeakPolarHBondContact O-CA 3.43Å; D541-G545 PolarHBondContact O-N 3.08Å; D541-G545 VanDerWaalsContact O-N 3.07Å; G545-S549 WeakPolarHBondContact O-CB 3.33Å; G545-S549 PolarHBondContact O-OG 3.22Å |
| 546 | K | 46.7 | Very low | 55.5 | Low | 182 Ų | 182 | 106.6 Ų | 106.6 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -19 | 174 | -138.3 | 178.9 | -174.6 | -178.4 | 0 | 113.9 | V544 | V544-K546 VanDerWaalsContact C-N 3.26Å; V544-K546 PolarHBondContact O-N 2.85Å |
| 547 | M | 46.3 | Very low | 56.3 | Low | 141 Ų | 141 | 107 Ų | 107 | 70% | 0.695 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -30 | -176.9 | -148 | 173.8 | -162.5 | 0 | 0 | 112.9 | T370 V544 | T370-M547 HydrophobicContact CG2-SD 4.16Å; V544-M547 PolarHBondContact O-N 3.03Å |
| 548 | K | 46.7 | Very low | 57.4 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -82.9 | -12.1 | 173.8 | -87.1 | -168.6 | -174.6 | 173.9 | 0 | 114 | T370 Y371 T372 V544 F550 | T370-K548 WeakPolarHBondContact O-CE 3.45Å; Y371-K548 WeakPolarHBondContact O-CE 3.19Å; Y371-K548 PolarHBondContact O-NZ 3.16Å; T372-K548 PolarHBondContact O-NZ 3.01Å; V544-K548 HydrophobicContact CG1-CB 4.14Å; V544-K548 HydrophobicContact CG1-CD 3.42Å; V544-K548 VanDerWaalsContact CG1-CD 3.42Å; V544-K548 HydrophobicContact CG1-CG 3.55Å; V544-K548 WeakPolarHBondContact O-CB 3.3Å; V544-K548 PolarHBondContact O-N 3.49Å; K548-F550 PolarHBondContact O-N 3.41Å; K548-F550 VanDerWaalsContact O-N 3.16Å |
| 549 | S | 45.4 | Very low | 58.5 | Low | 76 Ų | 76 | 101.9 Ų | 101.9 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -74.7 | 112.4 | -173.8 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | G545 Q551 | G545-S549 WeakPolarHBondContact O-CB 3.33Å; G545-S549 PolarHBondContact O-OG 3.22Å; S549-Q551 PolarHBondContact O-N 2.79Å |
| 550 | F | 48 | Very low | 59.8 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 68% | 0.68 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 73.4 | -32.7 | 156.4 | -150.4 | -107.7 | 0 | 0 | 0 | 119.5 | K548 R554 | K548-F550 PolarHBondContact O-N 3.41Å; K548-F550 VanDerWaalsContact O-N 3.16Å; F550-R554 VanDerWaalsContact O-CB 3.24Å; F550-R554 WeakPolarHBondContact O-CB 3.37Å |
| 551 | Q | 53.7 | Low | 61.2 | Low | 160 Ų | 160 | 99.3 Ų | 99.3 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -87 | -46.4 | -176.1 | -75.9 | -171.8 | -3.1 | 0 | 0 | 114.5 | S549 R554 W555 | S549-Q551 PolarHBondContact O-N 2.79Å; Q551-R554 PolarHBondContact O-N 3.11Å; Q551-W555 WeakPolarHBondContact O-CA 2.92Å; Q551-W555 WeakPolarHBondContact O-CB 3.1Å; Q551-W555 PolarHBondContact O-N 3.11Å |
| 552 | W | 63.7 | Low | 62.6 | Low | 92 Ų | 92 | 97.4 Ų | 97.4 | 35% | 0.348 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -52.3 | -173 | -176.8 | -96.2 | 0 | 0 | 0 | 113.4 | R554 W555 N556 | W552-R554 VanDerWaalsContact C-N 3.3Å; W552-R554 PolarHBondContact O-N 3.29Å; W552-W555 HydrophobicContact CZ3-CZ3 4.5Å; W552-W555 PolarHBondContact O-N 3.3Å; W552-N556 WeakPolarHBondContact O-CB 3.47Å; W552-N556 PolarHBondContact O-N 2.89Å |
| 553 | N | 65.4 | Low | 64.3 | Low | 122 Ų | 122 | 91 Ų | 91 | 65% | 0.652 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | -179.4 | -76.7 | -5.3 | 0 | 0 | 0 | 112.4 | S557 | N553-S557 VanDerWaalsContact O-CB 3.24Å; N553-S557 WeakPolarHBondContact O-CB 3.41Å; N553-S557 PolarHBondContact O-N 2.54Å |
| 554 | R | 67.2 | Low | 65.9 | Low | 144 Ų | 144 | 86.4 Ų | 86.4 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.1 | -43.7 | 176.9 | -173.7 | 171.8 | 167.4 | 162.8 | -2.7 | 111.2 | F550 Q551 W552 S557 I558 | F550-R554 VanDerWaalsContact O-CB 3.24Å; F550-R554 WeakPolarHBondContact O-CB 3.37Å; Q551-R554 PolarHBondContact O-N 3.11Å; W552-R554 VanDerWaalsContact C-N 3.3Å; W552-R554 PolarHBondContact O-N 3.29Å; R554-S557 PolarHBondContact O-N 2.8Å; R554-I558 HydrophobicContact CG-CD1 3.75Å; R554-I558 WeakPolarHBondContact O-CB 3.13Å; R554-I558 WeakPolarHBondContact O-CD1 3.45Å; R554-I558 WeakPolarHBondContact O-CG1 3.42Å; R554-I558 PolarHBondContact O-N 3.07Å |
| 555 | W | 66.6 | Low | 67.6 | Low | 151 Ų | 151 | 87.4 Ų | 87.4 | 57% | 0.572 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 176.7 | -173.4 | 82.4 | 0 | 0 | 0 | 111.4 | Q551 W552 I558 S559 | Q551-W555 WeakPolarHBondContact O-CA 2.92Å; Q551-W555 WeakPolarHBondContact O-CB 3.1Å; Q551-W555 PolarHBondContact O-N 3.11Å; W552-W555 HydrophobicContact CZ3-CZ3 4.5Å; W552-W555 PolarHBondContact O-N 3.3Å; W555-I558 PolarHBondContact O-N 3.32Å; W555-S559 WeakPolarHBondContact O-CA 3.39Å; W555-S559 WeakPolarHBondContact O-CB 3.48Å; W555-S559 PolarHBondContact O-N 3.5Å; W555-S559 PolarHBondContact O-OG 3.42Å |
| 556 | N | 73.3 | Confident | 69.4 | Low | 18 Ų | 18 | 89.6 Ų | 89.6 | 10% | 0.096 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.2 | -165.2 | 15.3 | 0 | 0 | 0 | 111.8 | W552 S559 A560 S943 | W552-N556 WeakPolarHBondContact O-CB 3.47Å; W552-N556 PolarHBondContact O-N 2.89Å; N556-S559 WeakPolarHBondContact CA-OG 3.48Å; N556-S559 PolarHBondContact O-OG 3.42Å; N556-S559 VanDerWaalsContact O-OG 3.12Å; N556-A560 WeakPolarHBondContact O-CB 3.37Å; N556-A560 PolarHBondContact O-N 3.45Å; N556-S943 WeakPolarHBondContact ND2-CB 3.49Å; N556-S943 PolarHBondContact ND2-OG 2.7Å |
| 557 | S | 73.8 | Confident | 71.5 | Confident | 48 Ų | 48 | 81 Ų | 81 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | N553 R554 K561 | N553-S557 VanDerWaalsContact O-CB 3.24Å; N553-S557 WeakPolarHBondContact O-CB 3.41Å; N553-S557 PolarHBondContact O-N 2.54Å; R554-S557 PolarHBondContact O-N 2.8Å; S557-K561 WeakPolarHBondContact O-CB 3.48Å; S557-K561 WeakPolarHBondContact O-CG 3.47Å; S557-K561 PolarHBondContact O-N 3.3Å |
| 558 | I | 76.9 | Confident | 73.5 | Confident | 99 Ų | 99 | 75 Ų | 75 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 178.7 | -67.5 | 167.8 | 0 | 0 | 0 | 110.6 | R554 W555 S562 | R554-I558 HydrophobicContact CG-CD1 3.75Å; R554-I558 WeakPolarHBondContact O-CB 3.13Å; R554-I558 WeakPolarHBondContact O-CD1 3.45Å; R554-I558 WeakPolarHBondContact O-CG1 3.42Å; R554-I558 PolarHBondContact O-N 3.07Å; W555-I558 PolarHBondContact O-N 3.32Å; I558-S562 WeakPolarHBondContact O-CB 3.36Å; I558-S562 PolarHBondContact O-N 3.3Å |
| 559 | S | 79.7 | Confident | 75.6 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | W555 N556 S562 L563 | W555-S559 WeakPolarHBondContact O-CA 3.39Å; W555-S559 WeakPolarHBondContact O-CB 3.48Å; W555-S559 PolarHBondContact O-N 3.5Å; W555-S559 PolarHBondContact O-OG 3.42Å; N556-S559 WeakPolarHBondContact CA-OG 3.48Å; N556-S559 PolarHBondContact O-OG 3.42Å; N556-S559 VanDerWaalsContact O-OG 3.12Å; S559-S562 PolarHBondContact O-N 3.45Å; S559-L563 WeakPolarHBondContact O-CA 3.47Å; S559-L563 WeakPolarHBondContact O-CB 3.4Å; S559-L563 PolarHBondContact O-N 3.47Å |
| 560 | A | 81.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 79 Ų | 79 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N556 G564 L938 L939 | N556-A560 WeakPolarHBondContact O-CB 3.37Å; N556-A560 PolarHBondContact O-N 3.45Å; A560-G564 PolarHBondContact O-N 3.44Å; A560-L938 HydrophobicContact CB-CB 4.42Å; A560-L939 HydrophobicContact CB-CD2 4.41Å; A560-L939 HydrophobicContact CB-CG 4.44Å |
| 561 | K | 83.2 | Confident | 79.8 | Confident | 116 Ų | 116 | 71.9 Ų | 71.9 | 50% | 0.504 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 174.6 | -81.6 | 180 | 179.3 | -175.1 | 0 | 112.1 | S557 G564 A565 L939 | S557-K561 WeakPolarHBondContact O-CB 3.48Å; S557-K561 WeakPolarHBondContact O-CG 3.47Å; S557-K561 PolarHBondContact O-N 3.3Å; K561-G564 PolarHBondContact O-N 2.88Å; K561-A565 VanDerWaalsContact O-CB 3.27Å; K561-A565 WeakPolarHBondContact O-CB 3.37Å; K561-A565 PolarHBondContact O-N 3.47Å; K561-L939 HydrophobicContact CD-CD1 4.25Å; K561-L939 HydrophobicContact CG-CD1 3.67Å; K561-L939 HydrophobicContact CG-CD2 4Å; K561-L939 HydrophobicContact CG-CG 4.01Å |
| 562 | S | 86.4 | Confident | 81.7 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | I558 S559 A565 N566 | I558-S562 WeakPolarHBondContact O-CB 3.36Å; I558-S562 PolarHBondContact O-N 3.3Å; S559-S562 PolarHBondContact O-N 3.45Å; S562-A565 PolarHBondContact O-N 2.95Å; S562-N566 WeakPolarHBondContact O-CB 3Å; S562-N566 PolarHBondContact O-N 3.31Å; S562-N566 PolarHBondContact O-ND2 2.93Å |
| 563 | L | 88.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.2 | -173.3 | 68 | 0 | 0 | 0 | 110.8 | S559 A565 N566 I567 L938 F987 | S559-L563 WeakPolarHBondContact O-CA 3.47Å; S559-L563 WeakPolarHBondContact O-CB 3.4Å; S559-L563 PolarHBondContact O-N 3.47Å; L563-A565 PolarHBondContact O-N 3.2Å; L563-N566 PolarHBondContact O-N 3.19Å; L563-I567 HydrophobicContact CD1-CD1 4.41Å; L563-I567 HydrophobicContact CG-CD1 3.92Å; L563-I567 WeakPolarHBondContact O-CB 3.44Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.32Å; L563-I567 PolarHBondContact O-N 3.33Å; L563-L938 HydrophobicContact CD2-CD2 3.93Å; L563-F987 HydrophobicContact CD1-CE1 4.25Å |
| 564 | G | 86.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A560 K561 N566 I567 T568 | A560-G564 PolarHBondContact O-N 3.44Å; K561-G564 PolarHBondContact O-N 2.88Å; G564-N566 PolarHBondContact O-N 3.39Å; G564-I567 PolarHBondContact O-N 2.9Å; G564-T568 VanDerWaalsContact O-CG2 3.24Å; G564-T568 WeakPolarHBondContact O-CG2 3.25Å; G564-T568 PolarHBondContact O-N 3.47Å; G564-T568 PolarHBondContact O-OG1 2.87Å |
| 565 | A | 87.5 | Confident | 85.7 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K561 S562 L563 T568 K569 | K561-A565 VanDerWaalsContact O-CB 3.27Å; K561-A565 WeakPolarHBondContact O-CB 3.37Å; K561-A565 PolarHBondContact O-N 3.47Å; S562-A565 PolarHBondContact O-N 2.95Å; L563-A565 PolarHBondContact O-N 3.2Å; A565-T568 PolarHBondContact O-N 3.27Å; A565-T568 PolarHBondContact O-OG1 3.33Å; A565-K569 WeakPolarHBondContact O-CB 3.34Å; A565-K569 PolarHBondContact O-N 2.68Å |
| 566 | N | 90.8 | Very high | 87 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.4 | -73.1 | -27.7 | 0 | 0 | 0 | 112.2 | S562 L563 G564 T568 K569 L570 | S562-N566 WeakPolarHBondContact O-CB 3Å; S562-N566 PolarHBondContact O-N 3.31Å; S562-N566 PolarHBondContact O-ND2 2.93Å; L563-N566 PolarHBondContact O-N 3.19Å; G564-N566 PolarHBondContact O-N 3.39Å; N566-T568 PolarHBondContact O-N 2.95Å; N566-K569 PolarHBondContact O-N 3.45Å; N566-L570 WeakPolarHBondContact O-CB 3.37Å; N566-L570 PolarHBondContact O-N 3.1Å |
| 567 | I | 90.8 | Very high | 88 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.2 | -69.8 | 164.4 | 0 | 0 | 0 | 110 | L563 G564 K569 L570 D571 L574 V934 L938 F987 L990 | L563-I567 HydrophobicContact CD1-CD1 4.41Å; L563-I567 HydrophobicContact CG-CD1 3.92Å; L563-I567 WeakPolarHBondContact O-CB 3.44Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.32Å; L563-I567 PolarHBondContact O-N 3.33Å; G564-I567 PolarHBondContact O-N 2.9Å; I567-K569 VanDerWaalsContact C-N 3.25Å; I567-K569 PolarHBondContact O-N 3.31Å; I567-L570 CarbonylContact O-C 3.52Å; I567-L570 PolarHBondContact O-N 2.97Å; I567-D571 VanDerWaalsContact O-CA 3.23Å; I567-D571 WeakPolarHBondContact O-CA 3.25Å; I567-D571 WeakPolarHBondContact O-CB 3.28Å; I567-D571 PolarHBondContact O-N 2.99Å; I567-L574 HydrophobicContact CB-CD1 4.47Å; I567-L574 HydrophobicContact CG1-CD1 4.21Å; I567-L574 HydrophobicContact CG2-CD1 4.49Å; I567-V934 HydrophobicContact CB-CG1 4.47Å; I567-V934 HydrophobicContact CG2-CG1 4.16Å; I567-L938 HydrophobicContact CD1-CD1 3.88Å; I567-F987 HydrophobicContact CG1-CD1 4.41Å; I567-L990 HydrophobicContact CD1-CD1 4.23Å; I567-L990 HydrophobicContact CG2-CB 4.2Å |
| 568 | T | 88.3 | Confident | 89 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -26.9 | -179.2 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | G564 A565 N566 N932 V934 P935 K998 | G564-T568 VanDerWaalsContact O-CG2 3.24Å; G564-T568 WeakPolarHBondContact O-CG2 3.25Å; G564-T568 PolarHBondContact O-N 3.47Å; G564-T568 PolarHBondContact O-OG1 2.87Å; A565-T568 PolarHBondContact O-N 3.27Å; A565-T568 PolarHBondContact O-OG1 3.33Å; N566-T568 PolarHBondContact O-N 2.95Å; T568-N932 WeakPolarHBondContact CG2-OD1 3.49Å; T568-V934 HydrophobicContact CG2-CB 3.66Å; T568-V934 HydrophobicContact CG2-CG1 4.11Å; T568-V934 HydrophobicContact CG2-CG2 4.16Å; T568-P935 HydrophobicContact CG2-CG 4.4Å; T568-K998 PolarHBondContact O-NZ 2.81Å |
| 569 | K | 90.2 | Very high | 89.7 | Confident | 172 Ų | 172 | 57.4 Ų | 57.4 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -79.3 | -35.1 | 176.7 | -171.4 | 178.5 | -179.6 | -178.4 | 0 | 112.3 | A565 N566 I567 | A565-K569 WeakPolarHBondContact O-CB 3.34Å; A565-K569 PolarHBondContact O-N 2.68Å; N566-K569 PolarHBondContact O-N 3.45Å; I567-K569 VanDerWaalsContact C-N 3.25Å; I567-K569 PolarHBondContact O-N 3.31Å |
| 570 | L | 91.2 | Very high | 90.4 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -107 | 16 | -175.9 | -65.9 | 165.1 | 0 | 0 | 0 | 112.7 | N566 I567 C572 Y573 L574 | N566-L570 WeakPolarHBondContact O-CB 3.37Å; N566-L570 PolarHBondContact O-N 3.1Å; I567-L570 CarbonylContact O-C 3.52Å; I567-L570 PolarHBondContact O-N 2.97Å; L570-C572 PolarHBondContact O-N 2.71Å; L570-Y573 PolarHBondContact O-N 2.86Å; L570-L574 HydrophobicContact CB-CD1 4.14Å; L570-L574 HydrophobicContact CB-CG 4.2Å; L570-L574 PolarHBondContact O-N 3.5Å |
| 571 | D | 91.3 | Very high | 91 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.032 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -45.4 | -168.7 | 56.4 | -3.8 | 0 | 0 | 0 | 113 | I567 Y573 F575 S994 I995 K998 | I567-D571 VanDerWaalsContact O-CA 3.23Å; I567-D571 WeakPolarHBondContact O-CA 3.25Å; I567-D571 WeakPolarHBondContact O-CB 3.28Å; I567-D571 PolarHBondContact O-N 2.99Å; D571-Y573 VanDerWaalsContact C-N 3.32Å; D571-Y573 PolarHBondContact O-N 3.13Å; D571-F575 WeakPolarHBondContact O-CB 3.43Å; D571-F575 PolarHBondContact O-N 3.43Å; D571-S994 WeakPolarHBondContact OD2-CB 3.37Å; D571-S994 PolarHBondContact OD2-OG 3.26Å; D571-I995 HydrophobicContact CB-CG1 4.16Å; D571-K998 VanDerWaalsContact CG-NZ 3.29Å; D571-K998 IonicContact OD1-NZ 3.28Å; D571-K998 PolarHBondContact OD1-NZ 2.81Å; D571-K998 VanDerWaalsContact OD2-CE 3.31Å; D571-K998 WeakPolarHBondContact OD2-CE 2.99Å; D571-K998 IonicContact OD2-NZ 2.67Å; D571-K998 PolarHBondContact OD2-NZ 3.31Å |
| 572 | C | 92.2 | Very high | 91.3 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | L570 N576 | L570-C572 PolarHBondContact O-N 2.71Å; C572-N576 WeakPolarHBondContact O-CB 3.19Å; C572-N576 PolarHBondContact O-N 3.42Å; C572-N576 VanDerWaalsContact O-N 3.16Å; C572-N576 PolarHBondContact O-ND2 2.86Å |
| 573 | Y | 94.1 | Very high | 91.5 | Very high | 156 Ų | 156 | 58.8 Ų | 58.8 | 61% | 0.612 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -73.4 | -46.2 | 179.9 | -176.4 | -105.4 | 0 | 0 | 0 | 111.2 | L570 D571 N576 I577 | L570-Y573 PolarHBondContact O-N 2.86Å; D571-Y573 VanDerWaalsContact C-N 3.32Å; D571-Y573 PolarHBondContact O-N 3.13Å; Y573-N576 PolarHBondContact O-N 2.94Å; Y573-I577 HydrophobicContact CD1-CD1 3.69Å; Y573-I577 HydrophobicContact CD2-CD1 4.42Å; Y573-I577 HydrophobicContact CE1-CD1 3.13Å; Y573-I577 HydrophobicContact CE1-CG1 4.3Å; Y573-I577 HydrophobicContact CE2-CD1 3.95Å; Y573-I577 HydrophobicContact CG-CD1 4.32Å; Y573-I577 WeakPolarHBondContact O-CG1 3.31Å; Y573-I577 PolarHBondContact O-N 3.01Å |
| 574 | L | 93 | Very high | 91.8 | Very high | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.4 | -69.7 | 171.5 | 0 | 0 | 0 | 111.4 | I567 L570 N576 I577 F578 F987 | I567-L574 HydrophobicContact CB-CD1 4.47Å; I567-L574 HydrophobicContact CG1-CD1 4.21Å; I567-L574 HydrophobicContact CG2-CD1 4.49Å; L570-L574 HydrophobicContact CB-CD1 4.14Å; L570-L574 HydrophobicContact CB-CG 4.2Å; L570-L574 PolarHBondContact O-N 3.5Å; L574-N576 PolarHBondContact O-N 3.19Å; L574-I577 PolarHBondContact O-N 3.47Å; L574-F578 HydrophobicContact CD2-CE2 4.19Å; L574-F578 WeakPolarHBondContact O-CD2 3.05Å; L574-F578 PolarHBondContact O-N 2.97Å; L574-F987 HydrophobicContact CD1-CD1 4.32Å; L574-F987 HydrophobicContact CD2-CD1 4.38Å |
| 575 | F | 93.3 | Very high | 92 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 23% | 0.232 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.3 | -51.4 | 175 | 173.2 | -102.5 | 0 | 0 | 0 | 111.3 | D571 I577 L579 L988 M992 I995 | D571-F575 WeakPolarHBondContact O-CB 3.43Å; D571-F575 PolarHBondContact O-N 3.43Å; F575-I577 PolarHBondContact O-N 2.87Å; F575-L579 HydrophobicContact CE1-CD2 3.89Å; F575-L579 HydrophobicContact CE2-CD2 4.11Å; F575-L579 HydrophobicContact CZ-CD2 3.55Å; F575-L579 WeakPolarHBondContact O-CB 3.21Å; F575-L579 PolarHBondContact O-N 3.34Å; F575-L988 HydrophobicContact CD2-CD1 3.82Å; F575-L988 HydrophobicContact CE2-CD1 4.37Å; F575-M992 HydrophobicContact CD2-CG 3.54Å; F575-M992 HydrophobicContact CD2-SD 4.21Å; F575-M992 HydrophobicContact CE2-CE 4.47Å; F575-M992 HydrophobicContact CE2-CG 3.65Å; F575-M992 HydrophobicContact CE2-SD 3.94Å; F575-I995 HydrophobicContact CB-CD1 3.75Å; F575-I995 HydrophobicContact CD1-CD1 4.33Å; F575-I995 HydrophobicContact CD2-CD1 4.44Å; F575-I995 HydrophobicContact CG-CD1 3.92Å |
| 576 | N | 94.1 | Very high | 92 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | -179.6 | -76.2 | -47.7 | 0 | 0 | 0 | 112.4 | C572 Y573 L574 T580 | C572-N576 WeakPolarHBondContact O-CB 3.19Å; C572-N576 PolarHBondContact O-N 3.42Å; C572-N576 VanDerWaalsContact O-N 3.16Å; C572-N576 PolarHBondContact O-ND2 2.86Å; Y573-N576 PolarHBondContact O-N 2.94Å; L574-N576 PolarHBondContact O-N 3.19Å; N576-T580 VanDerWaalsContact O-CB 3.25Å; N576-T580 WeakPolarHBondContact O-CB 3.3Å; N576-T580 WeakPolarHBondContact O-CG2 3.33Å; N576-T580 PolarHBondContact O-N 3.37Å; N576-T580 PolarHBondContact O-OG1 3.29Å |
| 577 | I | 95 | Very high | 92 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 32% | 0.318 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -54 | 178.7 | -75.1 | 178.9 | 0 | 0 | 0 | 111.7 | Y573 L574 F575 L579 T580 L581 | Y573-I577 HydrophobicContact CD1-CD1 3.69Å; Y573-I577 HydrophobicContact CD2-CD1 4.42Å; Y573-I577 HydrophobicContact CE1-CD1 3.13Å; Y573-I577 HydrophobicContact CE1-CG1 4.3Å; Y573-I577 HydrophobicContact CE2-CD1 3.95Å; Y573-I577 HydrophobicContact CG-CD1 4.32Å; Y573-I577 WeakPolarHBondContact O-CG1 3.31Å; Y573-I577 PolarHBondContact O-N 3.01Å; L574-I577 PolarHBondContact O-N 3.47Å; F575-I577 PolarHBondContact O-N 2.87Å; I577-L579 VanDerWaalsContact C-N 3.33Å; I577-L579 PolarHBondContact O-N 2.88Å; I577-T580 PolarHBondContact O-N 3.42Å; I577-T580 PolarHBondContact O-OG1 2.95Å; I577-L581 VanDerWaalsContact O-CB 3.25Å; I577-L581 WeakPolarHBondContact O-CB 3.43Å; I577-L581 PolarHBondContact O-N 3.33Å |
| 578 | F | 94.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.3 | -34 | -174.4 | -81.1 | -88.6 | 0 | 0 | 0 | 111.6 | L574 G582 C983 F984 F987 L988 | L574-F578 HydrophobicContact CD2-CE2 4.19Å; L574-F578 WeakPolarHBondContact O-CD2 3.05Å; L574-F578 PolarHBondContact O-N 2.97Å; F578-G582 PolarHBondContact O-N 2.65Å; F578-C983 HydrophobicContact CE1-CB 4.35Å; F578-F984 HydrophobicContact CB-CD1 4.38Å; F578-F984 HydrophobicContact CB-CE1 4.16Å; F578-F984 AromaticContact CD1-CD1 3.91Å; F578-F984 HydrophobicContact CD1-CD1 3.91Å; F578-F984 AromaticContact CD1-CE1 3.71Å; F578-F984 HydrophobicContact CD1-CE1 3.71Å; F578-F984 HydrophobicContact CD1-CG 4.41Å; F578-F984 HydrophobicContact CD1-CZ 4.06Å; F578-F984 HydrophobicContact CG-CE1 4.45Å; F578-F987 HydrophobicContact CD2-CB 3.8Å; F578-F987 HydrophobicContact CE1-CB 4.39Å; F578-F987 HydrophobicContact CE1-CD2 4.36Å; F578-F987 HydrophobicContact CE2-CB 3.41Å; F578-F987 VanDerWaalsContact CE2-CB 3.41Å; F578-F987 HydrophobicContact CE2-CD2 4.03Å; F578-F987 AromaticContact CE2-CG 3.85Å; F578-F987 HydrophobicContact CE2-CG 3.85Å; F578-F987 HydrophobicContact CG-CB 4.44Å; F578-F987 HydrophobicContact CZ-CB 3.74Å; F578-F987 AromaticContact CZ-CD2 3.6Å; F578-F987 HydrophobicContact CZ-CD2 3.6Å; F578-F987 AromaticContact CZ-CG 3.91Å; F578-F987 HydrophobicContact CZ-CG 3.91Å; F578-L988 HydrophobicContact CB-CB 4.03Å; F578-L988 HydrophobicContact CB-CD1 4.07Å; F578-L988 HydrophobicContact CB-CG 4.43Å |
| 579 | L | 92.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 174.2 | -174.6 | 65.3 | 0 | 0 | 0 | 111.7 | F575 I577 G582 I583 V876 V880 L988 | F575-L579 HydrophobicContact CE1-CD2 3.89Å; F575-L579 HydrophobicContact CE2-CD2 4.11Å; F575-L579 HydrophobicContact CZ-CD2 3.55Å; F575-L579 WeakPolarHBondContact O-CB 3.21Å; F575-L579 PolarHBondContact O-N 3.34Å; I577-L579 VanDerWaalsContact C-N 3.33Å; I577-L579 PolarHBondContact O-N 2.88Å; L579-G582 PolarHBondContact O-N 2.93Å; L579-I583 HydrophobicContact CD1-CD1 4.34Å; L579-I583 HydrophobicContact CG-CD1 3.93Å; L579-I583 VanDerWaalsContact O-CG1 3.3Å; L579-I583 WeakPolarHBondContact O-CG1 3.38Å; L579-I583 PolarHBondContact O-N 2.96Å; L579-V876 HydrophobicContact CD1-CG1 4.38Å; L579-V880 HydrophobicContact CD1-CG2 4.21Å; L579-L988 HydrophobicContact CB-CD1 4.4Å |
| 580 | T | 94.1 | Very high | 91.2 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | N576 I577 G582 I583 V584 | N576-T580 VanDerWaalsContact O-CB 3.25Å; N576-T580 WeakPolarHBondContact O-CB 3.3Å; N576-T580 WeakPolarHBondContact O-CG2 3.33Å; N576-T580 PolarHBondContact O-N 3.37Å; N576-T580 PolarHBondContact O-OG1 3.29Å; I577-T580 PolarHBondContact O-N 3.42Å; I577-T580 PolarHBondContact O-OG1 2.95Å; T580-G582 VanDerWaalsContact C-N 3.28Å; T580-G582 PolarHBondContact O-N 3.24Å; T580-I583 PolarHBondContact O-N 3.43Å; T580-V584 WeakPolarHBondContact O-CB 3.48Å; T580-V584 VanDerWaalsContact O-CG2 3.27Å; T580-V584 WeakPolarHBondContact O-CG2 3.5Å; T580-V584 PolarHBondContact O-N 3.06Å |
| 581 | L | 94 | Very high | 90.7 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 173 | -174.4 | 65 | 0 | 0 | 0 | 111.1 | I577 V584 C585 F884 F984 | I577-L581 VanDerWaalsContact O-CB 3.25Å; I577-L581 WeakPolarHBondContact O-CB 3.43Å; I577-L581 PolarHBondContact O-N 3.33Å; L581-V584 PolarHBondContact O-N 3.08Å; L581-C585 PolarHBondContact O-N 3.28Å; L581-C585 PolarHBondContact O-SG 2.77Å; L581-F884 HydrophobicContact CD1-CD2 4.47Å; L581-F884 HydrophobicContact CD1-CE2 4.03Å; L581-F884 HydrophobicContact CD2-CD2 3.94Å; L581-F884 HydrophobicContact CD2-CE2 3.55Å; L581-F884 HydrophobicContact CD2-CZ 4.38Å; L581-F884 HydrophobicContact CG-CD2 3.85Å; L581-F884 HydrophobicContact CG-CE2 3.74Å; L581-F984 HydrophobicContact CD2-CZ 4.41Å |
| 582 | G | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F578 L579 T580 C585 C586 V880 | F578-G582 PolarHBondContact O-N 2.65Å; L579-G582 PolarHBondContact O-N 2.93Å; T580-G582 VanDerWaalsContact C-N 3.28Å; T580-G582 PolarHBondContact O-N 3.24Å; G582-C585 PolarHBondContact O-N 3.25Å; G582-C586 WeakPolarHBondContact O-CB 3.24Å; G582-C586 PolarHBondContact O-N 3.15Å; G582-V880 VanDerWaalsContact CA-CG1 3.44Å |
| 583 | I | 90.4 | Very high | 87.9 | Confident | 102 Ų | 102 | 67 Ų | 67 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 179.7 | -67.5 | 166.1 | 0 | 0 | 0 | 110.5 | L579 T580 C586 F587 | L579-I583 HydrophobicContact CD1-CD1 4.34Å; L579-I583 HydrophobicContact CG-CD1 3.93Å; L579-I583 VanDerWaalsContact O-CG1 3.3Å; L579-I583 WeakPolarHBondContact O-CG1 3.38Å; L579-I583 PolarHBondContact O-N 2.96Å; T580-I583 PolarHBondContact O-N 3.43Å; I583-C586 WeakPolarHBondContact O-CB 3.5Å; I583-C586 PolarHBondContact O-N 3.49Å; I583-F587 PolarHBondContact O-N 2.84Å |
| 584 | V | 93 | Very high | 86.1 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | T580 L581 C586 F587 L588 | T580-V584 WeakPolarHBondContact O-CB 3.48Å; T580-V584 VanDerWaalsContact O-CG2 3.27Å; T580-V584 WeakPolarHBondContact O-CG2 3.5Å; T580-V584 PolarHBondContact O-N 3.06Å; L581-V584 PolarHBondContact O-N 3.08Å; V584-C586 VanDerWaalsContact C-N 3.34Å; V584-C586 PolarHBondContact O-N 3.04Å; V584-F587 PolarHBondContact O-N 3.3Å; V584-L588 HydrophobicContact CG1-CD1 3.96Å; V584-L588 HydrophobicContact CG1-CG 4.29Å; V584-L588 WeakPolarHBondContact O-CG 3.26Å; V584-L588 PolarHBondContact O-N 2.84Å |
| 585 | C | 91.9 | Very high | 84.8 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.054 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | L581 G582 F587 L588 V589 F884 E887 | L581-C585 PolarHBondContact O-N 3.28Å; L581-C585 PolarHBondContact O-SG 2.77Å; G582-C585 PolarHBondContact O-N 3.25Å; C585-F587 VanDerWaalsContact C-N 3.31Å; C585-F587 PolarHBondContact O-N 2.78Å; C585-L588 PolarHBondContact O-N 3.19Å; C585-V589 WeakPolarHBondContact O-CB 3.42Å; C585-V589 VanDerWaalsContact O-CG2 3.28Å; C585-V589 WeakPolarHBondContact O-CG2 3.46Å; C585-V589 PolarHBondContact O-N 3.2Å; C585-F884 VanDerWaalsContact SG-CD2 3.51Å; C585-E887 HydrophobicContact CB-CB 4.13Å; C585-E887 HydrophobicContact CB-CG 4.48Å |
| 586 | C | 88.2 | Confident | 83.8 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | G582 I583 V584 A590 F883 | G582-C586 WeakPolarHBondContact O-CB 3.24Å; G582-C586 PolarHBondContact O-N 3.15Å; I583-C586 WeakPolarHBondContact O-CB 3.5Å; I583-C586 PolarHBondContact O-N 3.49Å; V584-C586 VanDerWaalsContact C-N 3.34Å; V584-C586 PolarHBondContact O-N 3.04Å; C586-A590 WeakPolarHBondContact O-CB 3.45Å; C586-A590 PolarHBondContact O-N 3.05Å; C586-A590 VanDerWaalsContact O-N 3.1Å; C586-F883 HydrophobicContact CB-CB 4.27Å; C586-F883 HydrophobicContact CB-CD1 4.35Å; C586-F883 HydrophobicContact CB-CD2 4.01Å; C586-F883 HydrophobicContact CB-CE2 4.45Å; C586-F883 HydrophobicContact CB-CG 3.96Å |
| 587 | F | 89.1 | Confident | 83 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 175.6 | -176.4 | -97.9 | 0 | 0 | 0 | 112.5 | I583 V584 C585 A590 V591 | I583-F587 PolarHBondContact O-N 2.84Å; V584-F587 PolarHBondContact O-N 3.3Å; C585-F587 VanDerWaalsContact C-N 3.31Å; C585-F587 PolarHBondContact O-N 2.78Å; F587-A590 PolarHBondContact O-N 3.47Å; F587-V591 HydrophobicContact CD1-CG2 4.08Å; F587-V591 HydrophobicContact CD2-CG2 4.06Å; F587-V591 HydrophobicContact CE1-CB 4.31Å; F587-V591 HydrophobicContact CE1-CG2 3.72Å; F587-V591 HydrophobicContact CE2-CG2 3.69Å; F587-V591 HydrophobicContact CG-CG2 4.26Å; F587-V591 HydrophobicContact CZ-CG2 3.52Å; F587-V591 WeakPolarHBondContact O-CB 3.5Å; F587-V591 WeakPolarHBondContact O-CG2 3.37Å; F587-V591 PolarHBondContact O-N 3.06Å |
| 588 | L | 88.8 | Confident | 82 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.5 | -71.6 | 174.5 | 0 | 0 | 0 | 111.9 | V584 C585 A590 V591 S592 | V584-L588 HydrophobicContact CG1-CD1 3.96Å; V584-L588 HydrophobicContact CG1-CG 4.29Å; V584-L588 WeakPolarHBondContact O-CG 3.26Å; V584-L588 PolarHBondContact O-N 2.84Å; C585-L588 PolarHBondContact O-N 3.19Å; L588-A590 VanDerWaalsContact C-N 3.27Å; L588-A590 PolarHBondContact O-N 3.06Å; L588-V591 PolarHBondContact O-N 2.86Å; L588-S592 WeakPolarHBondContact O-CB 3.41Å; L588-S592 PolarHBondContact O-N 3.38Å; L588-S592 PolarHBondContact O-OG 3.37Å |
| 589 | V | 83.4 | Confident | 80.6 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | C585 L886 E887 L890 | C585-V589 WeakPolarHBondContact O-CB 3.42Å; C585-V589 VanDerWaalsContact O-CG2 3.28Å; C585-V589 WeakPolarHBondContact O-CG2 3.46Å; C585-V589 PolarHBondContact O-N 3.2Å; V589-L886 HydrophobicContact CG2-CB 4.37Å; V589-E887 HydrophobicContact CG2-CB 4.21Å; V589-E887 WeakPolarHBondContact CG2-OE2 3.49Å; V589-L890 HydrophobicContact CG2-CD1 4.12Å |
| 590 | A | 81.4 | Confident | 79.5 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 67% | 0.669 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.9 | -32.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C586 F587 L588 | C586-A590 WeakPolarHBondContact O-CB 3.45Å; C586-A590 PolarHBondContact O-N 3.05Å; C586-A590 VanDerWaalsContact O-N 3.1Å; F587-A590 PolarHBondContact O-N 3.47Å; L588-A590 VanDerWaalsContact C-N 3.27Å; L588-A590 PolarHBondContact O-N 3.06Å |
| 591 | V | 81.3 | Confident | 78.1 | Confident | 92 Ų | 92 | 63 Ų | 63 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -98.7 | -35.4 | -174.1 | 173.7 | 0 | 0 | 0 | 0 | 113.4 | F587 L588 S593 | F587-V591 HydrophobicContact CD1-CG2 4.08Å; F587-V591 HydrophobicContact CD2-CG2 4.06Å; F587-V591 HydrophobicContact CE1-CB 4.31Å; F587-V591 HydrophobicContact CE1-CG2 3.72Å; F587-V591 HydrophobicContact CE2-CG2 3.69Å; F587-V591 HydrophobicContact CG-CG2 4.26Å; F587-V591 HydrophobicContact CZ-CG2 3.52Å; F587-V591 WeakPolarHBondContact O-CB 3.5Å; F587-V591 WeakPolarHBondContact O-CG2 3.37Å; F587-V591 PolarHBondContact O-N 3.06Å; L588-V591 PolarHBondContact O-N 2.86Å; V591-S593 PolarHBondContact O-N 3Å |
| 592 | S | 67.8 | Low | 76.9 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -55.5 | 142.8 | 171.3 | 64.8 | 0 | 0 | 0 | 0 | 108.3 | L588 G594 | L588-S592 WeakPolarHBondContact O-CB 3.41Å; L588-S592 PolarHBondContact O-N 3.38Å; L588-S592 PolarHBondContact O-OG 3.37Å; S592-G594 PolarHBondContact O-N 2.91Å |
| 593 | S | 55.5 | Low | 76.2 | Confident | 114 Ų | 114 | 64.6 Ų | 64.6 | 80% | 0.797 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -68.5 | 61 | -168.6 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | V591 | V591-S593 PolarHBondContact O-N 3Š|
| 594 | G | 57 | Low | 75.8 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | trans | 65.6 | 150.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S592 Q596 | S592-G594 PolarHBondContact O-N 2.91Å; G594-Q596 PolarHBondContact O-N 2.73Å; G594-Q596 VanDerWaalsContact O-N 3.15Å | ||
| 595 | V | 65.2 | Low | 75.3 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -41.2 | 116.5 | 145.2 | 170.1 | 0 | 0 | 0 | 0 | 109.1 | L597 L890 V896 | V595-L597 PolarHBondContact O-N 2.82Å; V595-L890 HydrophobicContact CG2-CD2 4.12Å; V595-V896 HydrophobicContact CB-CG2 4.48Å; V595-V896 HydrophobicContact CG1-CB 3.38Å; V595-V896 HydrophobicContact CG1-CG1 4.23Å; V595-V896 HydrophobicContact CG1-CG2 3.05Å |
| 596 | Q | 72.7 | Confident | 75.2 | Confident | 123 Ų | 123 | 60.4 Ų | 60.4 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 122.3 | -178.1 | -68.5 | -175.8 | -0.5 | 0 | 0 | 110 | G594 E895 V896 | G594-Q596 PolarHBondContact O-N 2.73Å; G594-Q596 VanDerWaalsContact O-N 3.15Å; Q596-E895 CarbonylContact O-C 3.49Å; Q596-E895 WeakPolarHBondContact O-CA 3.36Å; Q596-V896 PolarHBondContact O-N 2.84Å |
| 597 | L | 77.2 | Confident | 75 | Confident | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 151.5 | 168.5 | -73.4 | 156.4 | 0 | 0 | 0 | 109.6 | V595 G599 F798 Q839 V843 | V595-L597 PolarHBondContact O-N 2.82Å; L597-G599 PolarHBondContact O-N 3.11Å; L597-F798 HydrophobicContact CD1-CB 3.8Å; L597-F798 HydrophobicContact CD1-CD1 4.1Å; L597-F798 HydrophobicContact CD1-CD2 4.25Å; L597-F798 HydrophobicContact CD1-CG 3.77Å; L597-Q839 HydrophobicContact CD2-CB 4.42Å; L597-Q839 HydrophobicContact CD2-CG 4.49Å; L597-V843 HydrophobicContact CD1-CG2 3.94Å; L597-V843 HydrophobicContact CD2-CG2 4.18Å |
| 598 | P | 73 | Confident | 74.7 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 121.9 | -178.4 | 23 | -33.9 | 0 | 0 | 0 | 110.6 | G600 Q839 E895 V896 | P598-G600 VanDerWaalsContact C-N 3.33Å; P598-G600 PolarHBondContact O-N 3.21Å; P598-Q839 PolarHBondContact O-NE2 2.87Å; P598-E895 WeakPolarHBondContact CA-OE2 3.29Å; P598-V896 WeakPolarHBondContact CD-O 3.27Å |
| 599 | G | 66.6 | Low | 74.5 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | trans | -88.6 | 10.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L597 Y796 | L597-G599 PolarHBondContact O-N 3.11Å; G599-Y796 VanDerWaalsContact O-CB 3.3Å; G599-Y796 WeakPolarHBondContact O-CB 3.45Å | ||
| 600 | G | 68.9 | Low | 74.7 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -149.5 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P598 H602 | P598-G600 VanDerWaalsContact C-N 3.33Å; P598-G600 PolarHBondContact O-N 3.21Å; G600-H602 PolarHBondContact O-N 3.31Å |
| 601 | D | 65.3 | Low | 75.1 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -70.1 | -11.1 | -174.2 | -153.2 | 19.6 | 0 | 0 | 0 | 115.9 | Y796 | D601-Y796 HydrophobicContact CB-CD1 4.35Å; D601-Y796 HydrophobicContact CB-CE1 3.46Å; D601-Y796 VanDerWaalsContact CB-CE1 3.46Å; D601-Y796 HydrophobicContact CB-CE2 4.04Å; D601-Y796 WeakPolarHBondContact CB-OH 3.41Å; D601-Y796 VanDerWaalsContact CG-CZ 3.43Å; D601-Y796 WeakPolarHBondContact OD1-CE1 3.22Å; D601-Y796 PolarHBondContact OD1-OH 3.18Å; D601-Y796 VanDerWaalsContact OD1-OH 3.13Å; D601-Y796 PolarHBondContact OD2-OH 3.45Å |
| 602 | H | 67.6 | Low | 75.4 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | trans | -106.5 | 112.4 | -162.4 | 65.1 | -77 | 0 | 0 | 0 | 110.9 | G600 R604 T616 | G600-H602 PolarHBondContact O-N 3.31Å; H602-R604 PolarHBondContact O-N 2.95Å; H602-T616 HydrophobicContact CB-CG2 4.36Å | ||
| 603 | F | 76 | Confident | 76.4 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -63.4 | 128.9 | 160.3 | -65.9 | -81.7 | 0 | 0 | 0 | 108.6 | T40 F43 R342 F605 L838 N897 | T40-F603 HydrophobicContact CG2-CD2 4.1Å; F43-F603 HydrophobicContact CB-CZ 4.31Å; F43-F603 AromaticContact CD1-CD1 3.94Å; F43-F603 HydrophobicContact CD1-CD1 3.94Å; F43-F603 AromaticContact CD1-CE1 3.52Å; F43-F603 HydrophobicContact CD1-CE1 3.52Å; F43-F603 HydrophobicContact CD1-CZ 4.01Å; F43-F603 HydrophobicContact CE1-CD1 4.05Å; F43-F603 HydrophobicContact CE1-CE1 4.05Å; F43-F603 HydrophobicContact CG-CE1 4.42Å; R342-F603 VanDerWaalsContact CZ-O 3.32Å; R342-F603 PolarHBondContact NH1-O 3.29Å; R342-F603 VanDerWaalsContact NH1-O 3.15Å; R342-F603 PolarHBondContact NH2-O 3.21Å; F603-F605 HydrophobicContact CB-CD1 4.46Å; F603-F605 HydrophobicContact CB-CE1 3.75Å; F603-F605 HydrophobicContact CB-CZ 4.07Å; F603-F605 PolarHBondContact O-N 3.44Å; F603-L838 HydrophobicContact CE1-CD2 4.12Å; F603-L838 HydrophobicContact CZ-CD2 3.71Å; F603-N897 VanDerWaalsContact CD1-ND2 3.27Å; F603-N897 WeakPolarHBondContact CD1-ND2 3.29Å; F603-N897 WeakPolarHBondContact CE1-OD1 3.16Å | ||
| 604 | R | 82.3 | Confident | 78 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | trans | -83.4 | 112.1 | 178.5 | -67.6 | -177 | -173.1 | 154.1 | 10.6 | 110 | H602 E613 E895 Y965 | H602-R604 PolarHBondContact O-N 2.95Å; R604-E613 WeakPolarHBondContact CA-OE1 3.45Å; R604-E895 IonicContact CZ-OE1 3.31Å; R604-E895 IonicContact NH1-OE1 2.89Å; R604-E895 IonicContact NH2-OE1 3.53Å; R604-E895 PolarHBondContact NH2-OE1 3.42Å; R604-Y965 HydrophobicContact CB-CD1 4.28Å | ||
| 605 | F | 82.9 | Confident | 79.4 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | trans | -93 | -31.8 | 178.5 | -59.1 | -40 | 0 | 0 | 0 | 112.9 | P39 T40 R342 F346 F603 Y965 | P39-F605 HydrophobicContact CB-CD1 4.46Å; P39-F605 HydrophobicContact CB-CE1 4.02Å; P39-F605 HydrophobicContact CB-CZ 4.31Å; P39-F605 HydrophobicContact CG-CD1 4.34Å; P39-F605 HydrophobicContact CG-CD2 4.47Å; P39-F605 HydrophobicContact CG-CE1 3.78Å; P39-F605 HydrophobicContact CG-CE2 3.94Å; P39-F605 HydrophobicContact CG-CZ 3.57Å; T40-F605 HydrophobicContact CG2-CE1 4.22Å; T40-F605 HydrophobicContact CG2-CZ 3.66Å; R342-F605 HydrophobicContact CG-CD2 4.01Å; F346-F605 HydrophobicContact CD2-CB 3.73Å; F346-F605 HydrophobicContact CD2-CG 4.26Å; F346-F605 HydrophobicContact CE2-CB 4.17Å; F346-F605 HydrophobicContact CG-CB 4.45Å; F603-F605 HydrophobicContact CB-CD1 4.46Å; F603-F605 HydrophobicContact CB-CE1 3.75Å; F603-F605 HydrophobicContact CB-CZ 4.07Å; F603-F605 PolarHBondContact O-N 3.44Å; F605-Y965 WeakPolarHBondContact O-CB 2.86Å; F605-Y965 PolarHBondContact O-N 2.95Å | ||
| 606 | F | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 165.5 | -178.9 | -53.7 | -76.7 | 0 | 0 | 0 | 110.9 | R342 V345 F346 M349 H610 L612 E613 | R342-F606 HydrophobicContact CG-CE2 4.06Å; V345-F606 HydrophobicContact CG1-CZ 4.06Å; F346-F606 HydrophobicContact CB-CE1 4.48Å; F346-F606 HydrophobicContact CB-CE2 4.49Å; F346-F606 HydrophobicContact CB-CZ 3.85Å; F346-F606 HydrophobicContact CD2-CE1 4.47Å; F346-F606 HydrophobicContact CD2-CZ 4.47Å; M349-F606 HydrophobicContact CB-CE1 4.15Å; M349-F606 HydrophobicContact CG-CE1 4.15Å; F606-H610 HydrophobicContact CB-CB 3.55Å; F606-H610 AromaticContact CD2-ND1 3.7Å; F606-H610 HydrophobicContact CG-CB 4.3Å; F606-H610 AromaticContact CG-CG 3.91Å; F606-H610 AromaticContact CG-ND1 3.59Å; F606-L612 HydrophobicContact CE2-CB 4.46Å; F606-L612 HydrophobicContact CE2-CD1 4.26Å; F606-E613 HydrophobicContact CB-CB 4.31Å |
| 607 | K | 85.2 | Confident | 80.5 | Confident | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -54.5 | 147.9 | 168.2 | -71.5 | 173.4 | 171.1 | 167.2 | 0 | 110.8 | N609 H610 L960 S962 T963 | K607-N609 PolarHBondContact O-N 2.88Å; K607-H610 WeakPolarHBondContact O-CB 3.43Å; K607-H610 PolarHBondContact O-N 3.01Å; K607-L960 PolarHBondContact NZ-O 3.09Å; K607-S962 WeakPolarHBondContact CE-O 3.46Å; K607-S962 PolarHBondContact NZ-O 3.03Å; K607-T963 PolarHBondContact N-O 3.39Å | ||
| 608 | S | 82.1 | Confident | 80.8 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.7 | -179.3 | 55 | 0 | 0 | 0 | 0 | 114.6 | H610 R614 | S608-H610 VanDerWaalsContact C-N 3.34Å; S608-R614 WeakPolarHBondContact O-CG 3.2Å |
| 609 | N | 84.3 | Confident | 81.4 | Confident | 128 Ų | 128 | 43 Ų | 43 | 68% | 0.684 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.1 | 177.8 | -70.3 | -22.5 | 0 | 0 | 0 | 114 | K607 | K607-N609 PolarHBondContact O-N 2.88Š|
| 610 | H | 88.4 | Confident | 82.2 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -69.2 | 142.7 | -177.6 | -170.3 | -101.2 | 0 | 0 | 0 | 111.7 | F606 K607 S608 L612 E613 R614 | F606-H610 HydrophobicContact CB-CB 3.55Å; F606-H610 AromaticContact CD2-ND1 3.7Å; F606-H610 HydrophobicContact CG-CB 4.3Å; F606-H610 AromaticContact CG-CG 3.91Å; F606-H610 AromaticContact CG-ND1 3.59Å; K607-H610 WeakPolarHBondContact O-CB 3.43Å; K607-H610 PolarHBondContact O-N 3.01Å; S608-H610 VanDerWaalsContact C-N 3.34Å; H610-L612 VanDerWaalsContact C-N 3.27Å; H610-L612 PolarHBondContact ND1-N 2.92Å; H610-L612 PolarHBondContact O-N 2.88Å; H610-E613 HydrophobicContact CB-CB 4.18Å; H610-E613 PolarHBondContact O-N 3.2Å; H610-R614 WeakPolarHBondContact O-CG 3.3Å; H610-R614 PolarHBondContact O-N 3.12Å |
| 611 | L | 89 | Confident | 82.8 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -38.8 | -173.2 | -177.4 | 68.9 | 0 | 0 | 0 | 113.1 | L318 M322 L334 L335 S336 V337 E613 | L318-L611 HydrophobicContact CD1-CD2 3.48Å; L318-L611 VanDerWaalsContact CD1-CD2 3.48Å; L318-L611 HydrophobicContact CD2-CD2 4.38Å; L318-L611 HydrophobicContact CG-CD2 4.03Å; M322-L611 HydrophobicContact CG-CD2 4.12Å; M322-L611 HydrophobicContact SD-CD2 4.33Å; L334-L611 HydrophobicContact CD1-CD1 4.35Å; L334-L611 HydrophobicContact CD2-CD1 3.88Å; L334-L611 HydrophobicContact CD2-CD2 3.82Å; L334-L611 HydrophobicContact CG-CD1 3.65Å; L334-L611 HydrophobicContact CG-CD2 4.47Å; L335-L611 WeakPolarHBondContact O-CD1 3.42Å; S336-L611 VanDerWaalsContact CA-CD1 3.44Å; S336-L611 WeakPolarHBondContact CA-O 3.43Å; S336-L611 WeakPolarHBondContact CB-O 3.41Å; V337-L611 HydrophobicContact CB-CD2 4.45Å; V337-L611 HydrophobicContact CB-CG 4.4Å; V337-L611 HydrophobicContact CG2-CD1 4.3Å; V337-L611 HydrophobicContact CG2-CD2 3.86Å; V337-L611 HydrophobicContact CG2-CG 4.07Å; V337-L611 PolarHBondContact N-O 3.01Å; L611-E613 VanDerWaalsContact C-N 3.35Å |
| 612 | L | 88.3 | Confident | 83.7 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.4 | 179.5 | -58 | 177.8 | 0 | 0 | 0 | 113.2 | L318 V337 V345 F606 H610 | L318-L612 HydrophobicContact CD1-CD2 4.4Å; V337-L612 HydrophobicContact CB-CD2 4.34Å; V337-L612 WeakPolarHBondContact O-CD2 3.49Å; V345-L612 HydrophobicContact CB-CD1 3.89Å; V345-L612 HydrophobicContact CG1-CD1 3.82Å; V345-L612 HydrophobicContact CG2-CD1 4.08Å; F606-L612 HydrophobicContact CE2-CB 4.46Å; F606-L612 HydrophobicContact CE2-CD1 4.26Å; H610-L612 VanDerWaalsContact C-N 3.27Å; H610-L612 PolarHBondContact ND1-N 2.92Å; H610-L612 PolarHBondContact O-N 2.88Å |
| 613 | E | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -28.3 | -174.7 | -158.9 | 65.3 | -145.8 | 0 | 0 | 112.6 | R342 R604 F606 H610 L611 W615 T616 T617 | R342-E613 IonicContact CZ-OE1 3.35Å; R342-E613 IonicContact CZ-OE2 3.02Å; R342-E613 IonicContact NE-OE2 3.6Å; R342-E613 PolarHBondContact NE-OE2 3.22Å; R342-E613 IonicContact NH2-OE1 3.28Å; R342-E613 PolarHBondContact NH2-OE1 3.17Å; R342-E613 IonicContact NH2-OE2 2.78Å; R342-E613 PolarHBondContact NH2-OE2 3.19Å; R604-E613 WeakPolarHBondContact CA-OE1 3.45Å; F606-E613 HydrophobicContact CB-CB 4.31Å; H610-E613 HydrophobicContact CB-CB 4.18Å; H610-E613 PolarHBondContact O-N 3.2Å; L611-E613 VanDerWaalsContact C-N 3.35Å; E613-W615 PolarHBondContact O-N 3.36Å; E613-T616 PolarHBondContact O-N 3.34Å; E613-T616 PolarHBondContact O-OG1 2.75Å; E613-T616 VanDerWaalsContact O-OG1 3.06Å; E613-T617 HydrophobicContact CG-CG2 4.07Å; E613-T617 PolarHBondContact O-N 2.97Å; E613-T617 PolarHBondContact O-OG1 3.06Å |
| 614 | R | 88.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -27.1 | -178.5 | -75 | -176.5 | 79.2 | -175.8 | 9.9 | 113.6 | S608 H610 T617 Q618 L619 | S608-R614 WeakPolarHBondContact O-CG 3.2Å; H610-R614 WeakPolarHBondContact O-CG 3.3Å; H610-R614 PolarHBondContact O-N 3.12Å; R614-T617 WeakPolarHBondContact CA-OG1 3.48Å; R614-Q618 PolarHBondContact O-N 2.92Å; R614-L619 HydrophobicContact CB-CD1 4.35Å; R614-L619 PolarHBondContact O-N 2.64Å |
| 615 | W | 87.8 | Confident | 84.6 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -59.1 | -59.3 | 176.7 | 172.6 | -114.6 | 0 | 0 | 0 | 110.8 | F134 V136 L298 E613 T617 L619 K620 F623 F625 A626 | F134-W615 HydrophobicContact CE1-CZ2 4.32Å; F134-W615 AromaticContact CE2-CD2 3.71Å; F134-W615 HydrophobicContact CE2-CD2 3.71Å; F134-W615 AromaticContact CE2-CE2 3.75Å; F134-W615 AromaticContact CE2-CE3 3.74Å; F134-W615 HydrophobicContact CE2-CE3 3.74Å; F134-W615 HydrophobicContact CE2-CG 4.38Å; F134-W615 AromaticContact CE2-CH2 3.83Å; F134-W615 HydrophobicContact CE2-CH2 3.83Å; F134-W615 AromaticContact CE2-CZ2 3.82Å; F134-W615 HydrophobicContact CE2-CZ2 3.82Å; F134-W615 AromaticContact CE2-CZ3 3.78Å; F134-W615 HydrophobicContact CE2-CZ3 3.78Å; F134-W615 AromaticContact CZ-CD2 3.79Å; F134-W615 HydrophobicContact CZ-CD2 3.79Å; F134-W615 AromaticContact CZ-CE2 3.35Å; F134-W615 HydrophobicContact CZ-CE3 4.22Å; F134-W615 HydrophobicContact CZ-CG 4.36Å; F134-W615 AromaticContact CZ-CH2 3.85Å; F134-W615 HydrophobicContact CZ-CH2 3.85Å; F134-W615 AromaticContact CZ-CZ2 3.39Å; F134-W615 HydrophobicContact CZ-CZ2 3.39Å; F134-W615 HydrophobicContact CZ-CZ3 4.23Å; F134-W615 AromaticContact CZ-NE1 3.68Å; V136-W615 HydrophobicContact CG2-CE3 3.78Å; V136-W615 HydrophobicContact CG2-CZ3 4.02Å; L298-W615 HydrophobicContact CD2-CZ3 4.3Å; E613-W615 PolarHBondContact O-N 3.36Å; W615-T617 PolarHBondContact O-N 3.49Å; W615-L619 HydrophobicContact CE3-CB 3.95Å; W615-L619 HydrophobicContact CZ3-CB 4.38Å; W615-L619 PolarHBondContact O-N 3.32Å; W615-K620 WeakPolarHBondContact O-CB 3.38Å; W615-K620 PolarHBondContact O-N 2.77Å; W615-F623 HydrophobicContact CH2-CB 4.47Å; W615-F623 AromaticContact CH2-CD2 3.86Å; W615-F623 HydrophobicContact CH2-CD2 3.86Å; W615-F623 HydrophobicContact CH2-CG 4.41Å; W615-F623 AromaticContact CZ3-CD2 3.61Å; W615-F623 HydrophobicContact CZ3-CD2 3.61Å; W615-F623 AromaticContact CZ3-CE2 3.86Å; W615-F623 HydrophobicContact CZ3-CE2 3.86Å; W615-F625 HydrophobicContact CH2-CE1 4.38Å; W615-F625 HydrophobicContact CH2-CE2 4.39Å; W615-F625 AromaticContact CH2-CZ 3.7Å; W615-F625 HydrophobicContact CH2-CZ 3.7Å; W615-F625 HydrophobicContact CZ2-CE2 4.36Å; W615-F625 HydrophobicContact CZ2-CZ 4.11Å; W615-A626 HydrophobicContact CH2-CB 3.85Å; W615-A626 HydrophobicContact CZ2-CB 3.59Å |
| 616 | T | 81.4 | Confident | 84.1 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -69.4 | -32.1 | -175.9 | 48.1 | 0 | 0 | 0 | 0 | 113 | H602 E613 | H602-T616 HydrophobicContact CB-CG2 4.36Å; E613-T616 PolarHBondContact O-N 3.34Å; E613-T616 PolarHBondContact O-OG1 2.75Å; E613-T616 VanDerWaalsContact O-OG1 3.06Å |
| 617 | T | 78.8 | Confident | 82.8 | Confident | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -89.8 | -32.4 | -173.3 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | E613 R614 W615 | E613-T617 HydrophobicContact CG-CG2 4.07Å; E613-T617 PolarHBondContact O-N 2.97Å; E613-T617 PolarHBondContact O-OG1 3.06Å; R614-T617 WeakPolarHBondContact CA-OG1 3.48Å; W615-T617 PolarHBondContact O-N 3.49Å |
| 618 | Q | 83.3 | Confident | 81.2 | Confident | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -129.5 | -21.6 | -169.5 | -65.5 | 179.5 | -6.2 | 0 | 0 | 114.6 | R614 | R614-Q618 PolarHBondContact O-N 2.92Å |
| 619 | L | 85.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -116.9 | -27.4 | -164.6 | -62.8 | 170 | 0 | 0 | 0 | 113.6 | V136 L335 S336 R614 W615 D621 K622 F623 | V136-L619 HydrophobicContact CG1-CD1 4.12Å; L335-L619 HydrophobicContact CB-CD1 4.05Å; L335-L619 HydrophobicContact CD1-CD1 4.42Å; L335-L619 HydrophobicContact CD1-CD2 4.3Å; S336-L619 WeakPolarHBondContact OG-CD1 3.33Å; R614-L619 HydrophobicContact CB-CD1 4.35Å; R614-L619 PolarHBondContact O-N 2.64Å; W615-L619 HydrophobicContact CE3-CB 3.95Å; W615-L619 HydrophobicContact CZ3-CB 4.38Å; W615-L619 PolarHBondContact O-N 3.32Å; L619-D621 VanDerWaalsContact C-N 3.32Å; L619-D621 PolarHBondContact O-N 3.01Å; L619-K622 HydrophobicContact CD2-CD 4.15Å; L619-K622 WeakPolarHBondContact O-CB 3.38Å; L619-K622 PolarHBondContact O-N 2.69Å; L619-F623 WeakPolarHBondContact O-CD2 3.23Å |
| 620 | K | 84.6 | Confident | 78.2 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -51.2 | -49.5 | -178.3 | -167.9 | -178.3 | 177.6 | -178 | 0 | 112.2 | W615 K622 F623 A626 | W615-K620 WeakPolarHBondContact O-CB 3.38Å; W615-K620 PolarHBondContact O-N 2.77Å; K620-K622 PolarHBondContact O-N 3.05Å; K620-K622 VanDerWaalsContact O-N 3.08Å; K620-F623 PolarHBondContact O-N 2.93Å; K620-A626 VanDerWaalsContact CE-O 3.26Å; K620-A626 WeakPolarHBondContact CE-O 3.21Å; K620-A626 HydrophobicContact CG-CB 3.9Å |
| 621 | D | 81 | Confident | 76.7 | Confident | 128 Ų | 128 | 53 Ų | 53 | 68% | 0.684 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -68.6 | -10.7 | -176.2 | -54.1 | -22 | 0 | 0 | 0 | 113.9 | L619 | L619-D621 VanDerWaalsContact C-N 3.32Å; L619-D621 PolarHBondContact O-N 3.01Å |
| 622 | K | 84.5 | Confident | 75.6 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -82.7 | -18.1 | 178.3 | -59.7 | -171.3 | -174.4 | -176.6 | 0 | 113.4 | P261 V262 D296 L619 K620 | P261-K622 CarbonylContact C-O 3.52Å; P261-K622 VanDerWaalsContact CA-O 3.23Å; P261-K622 WeakPolarHBondContact CA-O 3.43Å; P261-K622 HydrophobicContact CB-CB 4.18Å; P261-K622 WeakPolarHBondContact CB-O 3.19Å; V262-K622 WeakPolarHBondContact CG2-O 3.44Å; V262-K622 PolarHBondContact N-O 2.88Å; D296-K622 IonicContact OD2-NZ 3.76Å; D296-K622 PolarHBondContact OD2-NZ 3.28Å; L619-K622 HydrophobicContact CD2-CD 4.15Å; L619-K622 WeakPolarHBondContact O-CB 3.38Å; L619-K622 PolarHBondContact O-N 2.69Å; K620-K622 PolarHBondContact O-N 3.05Å; K620-K622 VanDerWaalsContact O-N 3.08Å |
| 623 | F | 85.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -114.3 | 132.6 | -173.7 | -65.6 | -82.6 | 0 | 0 | 0 | 111 | V136 Y258 P261 D296 L298 W615 L619 K620 F625 A626 S627 | V136-F623 HydrophobicContact CG1-CE2 4.32Å; V136-F623 HydrophobicContact CG1-CZ 4.35Å; Y258-F623 WeakPolarHBondContact O-CD1 3.37Å; P261-F623 HydrophobicContact CB-CD1 4.41Å; P261-F623 HydrophobicContact CB-CE1 4.16Å; P261-F623 HydrophobicContact CB-CZ 4.47Å; D296-F623 HydrophobicContact CB-CZ 4.42Å; L298-F623 HydrophobicContact CD1-CD1 4.01Å; L298-F623 HydrophobicContact CD1-CE1 4.06Å; L298-F623 HydrophobicContact CD1-CG 4.36Å; L298-F623 HydrophobicContact CD1-CZ 4.44Å; L298-F623 HydrophobicContact CD2-CE1 4.28Å; L298-F623 HydrophobicContact CD2-CE2 4.22Å; L298-F623 HydrophobicContact CD2-CZ 3.93Å; L298-F623 HydrophobicContact CG-CD1 4.22Å; L298-F623 HydrophobicContact CG-CE1 3.75Å; L298-F623 HydrophobicContact CG-CZ 3.92Å; W615-F623 HydrophobicContact CH2-CB 4.47Å; W615-F623 AromaticContact CH2-CD2 3.86Å; W615-F623 HydrophobicContact CH2-CD2 3.86Å; W615-F623 HydrophobicContact CH2-CG 4.41Å; W615-F623 AromaticContact CZ3-CD2 3.61Å; W615-F623 HydrophobicContact CZ3-CD2 3.61Å; W615-F623 AromaticContact CZ3-CE2 3.86Å; W615-F623 HydrophobicContact CZ3-CE2 3.86Å; L619-F623 WeakPolarHBondContact O-CD2 3.23Å; K620-F623 PolarHBondContact O-N 2.93Å; F623-F625 HydrophobicContact CB-CD1 3.85Å; F623-F625 HydrophobicContact CB-CE1 3.51Å; F623-F625 HydrophobicContact CB-CZ 4.38Å; F623-F625 HydrophobicContact CD1-CE1 4.22Å; F623-F625 AromaticContact CG-CE1 4Å; F623-F625 HydrophobicContact CG-CE1 4Å; F623-A626 HydrophobicContact CB-CB 4.24Å; F623-A626 PolarHBondContact O-N 3.21Å; F623-S627 VanDerWaalsContact O-CB 3.3Å; F623-S627 WeakPolarHBondContact O-CB 3.37Å; F623-S627 PolarHBondContact O-N 2.76Å |
| 624 | V | 80.2 | Confident | 75.1 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -46.6 | -172.5 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | Y226 V262 A626 S627 | Y226-V624 HydrophobicContact CD1-CB 4.41Å; Y226-V624 HydrophobicContact CD1-CG1 4.15Å; Y226-V624 HydrophobicContact CD1-CG2 3.91Å; Y226-V624 HydrophobicContact CD2-CG2 4.36Å; Y226-V624 HydrophobicContact CE1-CB 4.43Å; Y226-V624 HydrophobicContact CE1-CG2 3.61Å; Y226-V624 HydrophobicContact CE2-CG2 4.08Å; Y226-V624 HydrophobicContact CG-CG1 4.3Å; Y226-V624 HydrophobicContact CG-CG2 4.29Å; V262-V624 HydrophobicContact CG2-CG2 3.46Å; V262-V624 VanDerWaalsContact CG2-CG2 3.46Å; V624-A626 PolarHBondContact O-N 3.15Å; V624-A626 VanDerWaalsContact O-N 3.09Å; V624-S627 PolarHBondContact O-N 3.21Å; V624-S627 VanDerWaalsContact O-O 3.13Å |
| 625 | F | 78.8 | Confident | 74.9 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 9% | 0.088 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | 178.9 | 77.6 | -83.1 | 0 | 0 | 0 | 113.8 | Q257 Y258 L298 W615 F623 | Q257-F625 PolarHBondContact O-N 2.91Å; Y258-F625 HydrophobicContact CD1-CB 3.56Å; Y258-F625 AromaticContact CD1-CD1 3.76Å; Y258-F625 HydrophobicContact CD1-CD1 3.76Å; Y258-F625 HydrophobicContact CD1-CD2 4.05Å; Y258-F625 HydrophobicContact CD1-CE1 4.46Å; Y258-F625 AromaticContact CD1-CG 3.5Å; Y258-F625 HydrophobicContact CD1-CG 3.5Å; Y258-F625 HydrophobicContact CE1-CB 3.5Å; Y258-F625 HydrophobicContact CE1-CD2 4.26Å; Y258-F625 AromaticContact CE1-CG 3.86Å; Y258-F625 HydrophobicContact CE1-CG 3.86Å; Y258-F625 HydrophobicContact CG-CD1 4.43Å; L298-F625 HydrophobicContact CD1-CE1 3.3Å; L298-F625 HydrophobicContact CD1-CZ 3.38Å; W615-F625 HydrophobicContact CH2-CE1 4.38Å; W615-F625 HydrophobicContact CH2-CE2 4.39Å; W615-F625 AromaticContact CH2-CZ 3.7Å; W615-F625 HydrophobicContact CH2-CZ 3.7Å; W615-F625 HydrophobicContact CZ2-CE2 4.36Å; W615-F625 HydrophobicContact CZ2-CZ 4.11Å; F623-F625 HydrophobicContact CB-CD1 3.85Å; F623-F625 HydrophobicContact CB-CE1 3.51Å; F623-F625 HydrophobicContact CB-CZ 4.38Å; F623-F625 HydrophobicContact CD1-CE1 4.22Å; F623-F625 AromaticContact CG-CE1 4Å; F623-F625 HydrophobicContact CG-CE1 4Å |
| 626 | A | 72.3 | Confident | 75 | Confident | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -27.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W615 K620 F623 V624 E628 | W615-A626 HydrophobicContact CH2-CB 3.85Å; W615-A626 HydrophobicContact CZ2-CB 3.59Å; K620-A626 VanDerWaalsContact CE-O 3.26Å; K620-A626 WeakPolarHBondContact CE-O 3.21Å; K620-A626 HydrophobicContact CG-CB 3.9Å; F623-A626 HydrophobicContact CB-CB 4.24Å; F623-A626 PolarHBondContact O-N 3.21Å; V624-A626 PolarHBondContact O-N 3.15Å; V624-A626 VanDerWaalsContact O-N 3.09Å; A626-E628 PolarHBondContact O-N 2.92Å |
| 627 | S | 61.3 | Low | 75.4 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.3 | 98.4 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 109.3 | F623 V624 | F623-S627 VanDerWaalsContact O-CB 3.3Å; F623-S627 WeakPolarHBondContact O-CB 3.37Å; F623-S627 PolarHBondContact O-N 2.76Å; V624-S627 PolarHBondContact O-N 3.21Å; V624-S627 VanDerWaalsContact O-O 3.13Å |
| 628 | E | 51.8 | Low | 76 | Confident | 142 Ų | 142 | 51.1 Ų | 51.1 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | trans | 33.5 | 94.3 | 173.7 | -70.7 | -176 | 167.5 | 0 | 0 | 114.4 | A626 V631 | A626-E628 PolarHBondContact O-N 2.92Å; E628-V631 HydrophobicContact CB-CG2 4.27Å; E628-V631 HydrophobicContact CG-CG2 4.46Å | ||
| 629 | K | 51.8 | Low | 76.4 | Confident | 149 Ų | 149 | 47.1 Ų | 47.1 | 65% | 0.648 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -38.6 | 135.3 | 151.7 | -74.6 | -175.7 | 178.6 | -179.3 | 0 | 107.4 | V631 | K629-V631 WeakPolarHBondContact O-CA 3.13Å; K629-V631 PolarHBondContact O-N 2.89Å |
| 630 | P | 51.1 | Low | 76.8 | Confident | 126 Ų | 126 | 47.1 Ų | 47.1 | 82% | 0.818 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -47 | 109.5 | -172.7 | 18.8 | -31.8 | 0 | 0 | 0 | 108.3 | S632 | P630-S632 PolarHBondContact O-N 3.18Š|
| 631 | V | 57.4 | Low | 77 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | trans | -50 | 111.6 | -163 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | E628 K629 K793 F794 | E628-V631 HydrophobicContact CB-CG2 4.27Å; E628-V631 HydrophobicContact CG-CG2 4.46Å; K629-V631 WeakPolarHBondContact O-CA 3.13Å; K629-V631 PolarHBondContact O-N 2.89Å; V631-K793 HydrophobicContact CB-CB 3.96Å; V631-K793 HydrophobicContact CB-CD 4.16Å; V631-K793 HydrophobicContact CB-CG 4.29Å; V631-K793 HydrophobicContact CG1-CB 3.58Å; V631-K793 HydrophobicContact CG1-CG 4.38Å; V631-F794 HydrophobicContact CG1-CB 3.87Å; V631-F794 WeakPolarHBondContact CG1-O 3.21Å | ||
| 632 | S | 66.5 | Low | 77.5 | Confident | 64 Ų | 64 | 37.7 Ų | 37.7 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 129.5 | -172.9 | 42 | 0 | 0 | 0 | 0 | 107.7 | P630 M634 | P630-S632 PolarHBondContact O-N 3.18Å; S632-M634 PolarHBondContact O-N 3.29Å |
| 633 | P | 78.9 | Confident | 77.8 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 140.9 | 175.3 | 21.8 | -31.2 | 0 | 0 | 0 | 108.8 | K635 F789 S790 | P633-K635 PolarHBondContact O-N 3.22Å; P633-F789 HydrophobicContact CB-CD1 4.44Å; P633-F789 HydrophobicContact CG-CD1 3.87Å; P633-S790 VanDerWaalsContact CB-O 3.22Å; P633-S790 WeakPolarHBondContact CB-O 3.32Å |
| 634 | M | 85.7 | Confident | 77.9 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 128.4 | 178.8 | -69 | -84.1 | 72.1 | 0 | 0 | 109.6 | S632 S790 F792 F794 M801 F804 N832 | S632-M634 PolarHBondContact O-N 3.29Å; M634-S790 WeakPolarHBondContact O-CB 3.43Å; M634-S790 PolarHBondContact O-N 3.36Å; M634-F792 PolarHBondContact N-O 3.16Å; M634-F794 HydrophobicContact CE-CB 3.55Å; M634-F794 HydrophobicContact CE-CD2 3.65Å; M634-F794 HydrophobicContact CE-CG 3.94Å; M634-F794 HydrophobicContact SD-CB 4.09Å; M634-F794 HydrophobicContact SD-CD2 3.84Å; M634-F794 HydrophobicContact SD-CG 4.45Å; M634-M801 HydrophobicContact SD-CE 3.82Å; M634-M801 HydrophobicContact SD-SD 4.42Å; M634-F804 HydrophobicContact CB-CE1 4.29Å; M634-F804 HydrophobicContact CB-CE2 4.26Å; M634-F804 HydrophobicContact CB-CZ 3.83Å; M634-F804 HydrophobicContact CG-CE1 4.26Å; M634-F804 HydrophobicContact CG-CZ 4.26Å; M634-F804 HydrophobicContact SD-CE1 4.45Å; M634-N832 HydrophobicContact CE-CB 4.08Å |
| 635 | K | 84.7 | Confident | 78 | Confident | 37 Ų | 37 | 41.9 Ų | 41.9 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.4 | 176.1 | -65.4 | 177.9 | -178.3 | 176.2 | 0 | 109 | P633 E767 F788 F789 C830 | P633-K635 PolarHBondContact O-N 3.22Å; K635-E767 IonicContact NZ-OE1 2.81Å; K635-E767 PolarHBondContact NZ-OE1 3.36Å; K635-E767 IonicContact NZ-OE2 3.91Å; K635-E767 PolarHBondContact NZ-OE2 2.6Å; K635-F788 WeakPolarHBondContact CA-O 3.46Å; K635-F789 HydrophobicContact CD-CE1 4.11Å; K635-F789 VanDerWaalsContact CE-CE1 3.45Å; K635-F789 HydrophobicContact CG-CD1 3.94Å; K635-F789 HydrophobicContact CG-CE1 3.8Å; K635-C830 WeakPolarHBondContact O-CA 3.48Å; K635-C830 VanDerWaalsContact O-CB 3.23Å; K635-C830 WeakPolarHBondContact O-CB 3.38Å; K635-C830 PolarHBondContact O-SG 2.9Å |
| 636 | I | 89.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.7 | 178 | -56.9 | 170.2 | 0 | 0 | 0 | 107.1 | I638 F687 I688 T787 F788 F804 V808 I812 F828 | I636-I638 HydrophobicContact CG2-CG1 4.21Å; I636-F687 HydrophobicContact CD1-CD2 4.18Å; I636-F687 HydrophobicContact CD1-CE2 4.31Å; I636-I688 HydrophobicContact CD1-CD1 3.97Å; I636-T787 CarbonylContact O-C 3.47Å; I636-T787 VanDerWaalsContact O-CA 3.28Å; I636-T787 WeakPolarHBondContact O-CA 3.46Å; I636-F788 PolarHBondContact N-O 2.75Å; I636-F788 PolarHBondContact O-N 3.36Å; I636-F804 HydrophobicContact CD1-CE2 4.19Å; I636-F804 HydrophobicContact CD1-CZ 4.41Å; I636-F804 HydrophobicContact CG1-CE2 4.39Å; I636-F804 HydrophobicContact CG1-CZ 4.13Å; I636-V808 HydrophobicContact CD1-CG1 4.17Å; I636-V808 HydrophobicContact CD1-CG2 4.12Å; I636-V808 HydrophobicContact CG2-CG1 4.34Å; I636-I812 HydrophobicContact CG2-CD1 4.3Å; I636-F828 HydrophobicContact CG2-CB 4.33Å; I636-F828 HydrophobicContact CG2-CD2 4.05Å; I636-F828 HydrophobicContact CG2-CG 4.48Å |
| 637 | H | 90.3 | Very high | 78 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.9 | 173 | -56.5 | -72 | 0 | 0 | 0 | 109.1 | W57 I785 V786 T787 F828 I829 D831 | W57-H637 HydrophobicContact CH2-CB 4.09Å; W57-H637 AromaticContact CH2-CG 3.89Å; W57-H637 HydrophobicContact CZ2-CB 4.31Å; W57-H637 AromaticContact CZ2-CD2 3.74Å; W57-H637 AromaticContact CZ2-CG 3.79Å; W57-H637 HydrophobicContact CZ3-CB 4.43Å; H637-I785 HydrophobicContact CB-CG2 4.44Å; H637-V786 CarbonylContact C-O 3.51Å; H637-V786 WeakPolarHBondContact CA-O 3.45Å; H637-T787 WeakPolarHBondContact CE1-CG2 3.37Å; H637-T787 VanDerWaalsContact ND1-CG2 3.32Å; H637-T787 WeakPolarHBondContact ND1-CG2 3.43Å; H637-T787 PolarHBondContact ND1-OG1 3.29Å; H637-F828 CarbonylContact O-C 3.55Å; H637-F828 WeakPolarHBondContact O-CA 3.48Å; H637-I829 HydrophobicContact CB-CG2 3.97Å; H637-I829 PolarHBondContact N-O 3.37Å; H637-I829 PolarHBondContact O-N 3.37Å; H637-D831 IonicContact NE2-OD2 2.67Å |
| 638 | I | 92.2 | Very high | 79 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124 | 175.6 | -48.4 | -179.6 | 0 | 0 | 0 | 107.5 | I636 W640 F678 I682 I785 V786 F788 I812 A826 F828 | I636-I638 HydrophobicContact CG2-CG1 4.21Å; I638-W640 HydrophobicContact CB-CH2 3.88Å; I638-W640 HydrophobicContact CB-CZ3 3.7Å; I638-W640 HydrophobicContact CG2-CE3 4.14Å; I638-W640 HydrophobicContact CG2-CH2 3.29Å; I638-W640 HydrophobicContact CG2-CZ2 3.88Å; I638-W640 HydrophobicContact CG2-CZ3 3.43Å; I638-W640 VanDerWaalsContact CG2-CZ3 3.43Å; I638-W640 WeakPolarHBondContact O-CZ3 3.23Å; I638-F678 HydrophobicContact CD1-CE1 3.83Å; I638-F678 HydrophobicContact CD1-CZ 3.57Å; I638-I682 HydrophobicContact CD1-CD1 3.8Å; I638-I785 CarbonylContact O-C 3.6Å; I638-I785 WeakPolarHBondContact O-CA 3.11Å; I638-V786 PolarHBondContact N-O 3.1Å; I638-V786 PolarHBondContact O-N 3.28Å; I638-F788 HydrophobicContact CD1-CD2 4.43Å; I638-F788 HydrophobicContact CD1-CE2 4.26Å; I638-I812 HydrophobicContact CD1-CD1 3.96Å; I638-I812 HydrophobicContact CG1-CD1 4.24Å; I638-A826 HydrophobicContact CG2-CB 4.16Å; I638-F828 HydrophobicContact CG1-CB 4.19Å |
| 639 | V | 92.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.5 | -168.7 | -175 | 0 | 0 | 0 | 0 | 110 | W57 L60 V642 I785 A826 W827 | W57-V639 HydrophobicContact CE3-CG2 4.02Å; W57-V639 HydrophobicContact CZ3-CG2 3.89Å; L60-V639 HydrophobicContact CD2-CG1 4.03Å; V639-V642 HydrophobicContact CG1-CB 4.34Å; V639-V642 HydrophobicContact CG1-CG2 4.42Å; V639-I785 HydrophobicContact CG2-CG1 4.48Å; V639-A826 VanDerWaalsContact O-CA 3.31Å; V639-A826 WeakPolarHBondContact O-CA 3.42Å; V639-W827 HydrophobicContact CB-CD2 4.26Å; V639-W827 HydrophobicContact CB-CH2 4.25Å; V639-W827 HydrophobicContact CB-CZ2 3.93Å; V639-W827 HydrophobicContact CG1-CH2 4.45Å; V639-W827 HydrophobicContact CG1-CZ2 3.89Å; V639-W827 HydrophobicContact CG2-CH2 4.13Å; V639-W827 HydrophobicContact CG2-CZ2 4.32Å; V639-W827 HydrophobicContact CG2-CZ3 4.26Å; V639-W827 PolarHBondContact N-O 2.88Å; V639-W827 PolarHBondContact O-N 2.98Å |
| 640 | W | 92.2 | Very high | 82.3 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 155.3 | 168.7 | -68.5 | -99.8 | 0 | 0 | 0 | 110.5 | I638 V642 F664 W674 F678 A783 L784 V786 I823 A826 | I638-W640 HydrophobicContact CB-CH2 3.88Å; I638-W640 HydrophobicContact CB-CZ3 3.7Å; I638-W640 HydrophobicContact CG2-CE3 4.14Å; I638-W640 HydrophobicContact CG2-CH2 3.29Å; I638-W640 HydrophobicContact CG2-CZ2 3.88Å; I638-W640 HydrophobicContact CG2-CZ3 3.43Å; I638-W640 VanDerWaalsContact CG2-CZ3 3.43Å; I638-W640 WeakPolarHBondContact O-CZ3 3.23Å; W640-V642 VanDerWaalsContact C-N 3.33Å; W640-F664 HydrophobicContact CB-CE2 4.44Å; W640-F664 HydrophobicContact CB-CZ 4.43Å; W640-W674 HydrophobicContact CZ2-CZ3 4.1Å; W640-F678 HydrophobicContact CH2-CD1 4.36Å; W640-F678 AromaticContact CH2-CE1 3.96Å; W640-F678 HydrophobicContact CH2-CE1 3.96Å; W640-F678 HydrophobicContact CH2-CZ 4.49Å; W640-F678 HydrophobicContact CZ2-CE1 4.5Å; W640-A783 WeakPolarHBondContact O-CA 3.45Å; W640-A783 WeakPolarHBondContact O-CB 3.15Å; W640-L784 HydrophobicContact CB-CB 4.23Å; W640-L784 HydrophobicContact CD2-CD2 4.47Å; W640-L784 HydrophobicContact CE3-CD2 4.14Å; W640-L784 HydrophobicContact CE3-CG 4.18Å; W640-L784 PolarHBondContact N-O 3.05Å; W640-L784 PolarHBondContact O-N 3.32Å; W640-L784 VanDerWaalsContact O-N 3.08Å; W640-V786 HydrophobicContact CE3-CG2 4.4Å; W640-V786 HydrophobicContact CH2-CG2 4.21Å; W640-V786 HydrophobicContact CZ3-CB 3.94Å; W640-V786 HydrophobicContact CZ3-CG2 3.55Å; W640-I823 VanDerWaalsContact CD1-O 3.3Å; W640-I823 PolarHBondContact NE1-O 3.05Å; W640-I823 VanDerWaalsContact NE1-O 3.14Å; W640-A826 HydrophobicContact CD2-CB 3.72Å; W640-A826 HydrophobicContact CG-CB 3.85Å; W640-A826 HydrophobicContact CZ2-CB 3.83Å |
| 641 | G | 89.5 | Confident | 84.1 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 84 | 3.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P661 V662 K782 | G641-P661 WeakPolarHBondContact O-CA 3.41Å; G641-V662 WeakPolarHBondContact CA-O 3.41Å; G641-V662 PolarHBondContact O-N 2.84Å; G641-K782 WeakPolarHBondContact CA-O 3.4Å |
| 642 | V | 91.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 137.3 | 175.2 | -174.1 | 0 | 0 | 0 | 0 | 109 | L60 W70 V639 W640 L659 A783 W827 | L60-V642 HydrophobicContact CD1-CG2 4.25Å; W70-V642 HydrophobicContact CH2-CG2 4.17Å; W70-V642 HydrophobicContact CZ3-CG2 3.94Å; V639-V642 HydrophobicContact CG1-CB 4.34Å; V639-V642 HydrophobicContact CG1-CG2 4.42Å; W640-V642 VanDerWaalsContact C-N 3.33Å; V642-L659 HydrophobicContact CB-CD2 4.43Å; V642-L659 HydrophobicContact CG1-CD1 3.9Å; V642-L659 HydrophobicContact CG1-CD2 3.62Å; V642-L659 HydrophobicContact CG1-CG 3.55Å; V642-L659 HydrophobicContact CG2-CD2 3.97Å; V642-A783 HydrophobicContact CG2-CB 4.05Å; V642-W827 PolarHBondContact O-NE1 3.16Å |
| 643 | Q | 90.2 | Very high | 86.6 | Confident | 72 Ų | 72 | 34.4 Ų | 34.4 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | trans | -72.4 | 142.3 | 175.1 | -165.7 | 168.5 | 4.7 | 0 | 0 | 110.7 | S56 N645 I660 V662 | S56-Q643 PolarHBondContact OG-O 2.89Å; Q643-N645 HydrophobicContact CG-CB 4.43Å; Q643-N645 PolarHBondContact O-N 3.47Å; Q643-I660 HydrophobicContact CB-CB 4.26Å; Q643-I660 HydrophobicContact CB-CG2 4.48Å; Q643-I660 PolarHBondContact N-O 3.31Å; Q643-V662 HydrophobicContact CB-CG2 3.9Å | ||
| 644 | E | 88.2 | Confident | 87 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -70.6 | -16.5 | 179.1 | 64.3 | 176.7 | 177.3 | 0 | 0 | 114 | N52 R53 S56 W827 | N52-E644 CarbonylContact C-O 3.54Å; N52-E644 VanDerWaalsContact CB-O 3.26Å; N52-E644 WeakPolarHBondContact CB-O 3.16Å; R53-E644 HydrophobicContact CG-CB 3.85Å; R53-E644 IonicContact CZ-OE2 2.75Å; R53-E644 PolarHBondContact N-O 3.13Å; R53-E644 IonicContact NE-OE2 2.68Å; R53-E644 PolarHBondContact NE-OE2 2.83Å; R53-E644 IonicContact NH2-OE2 3.68Å; R53-E644 PolarHBondContact NH2-OE2 3.23Å; S56-E644 PolarHBondContact OG-O 3.06Å; S56-E644 VanDerWaalsContact OG-O 3.09Å; E644-W827 HydrophobicContact CB-CB 4.39Å; E644-W827 HydrophobicContact CB-CD2 4.1Å; E644-W827 HydrophobicContact CB-CG 3.85Å |
| 645 | N | 82.1 | Confident | 87.1 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | trans | -90.1 | 118.9 | -176.3 | -75.2 | -17.6 | 0 | 0 | 0 | 111.9 | N52 Q643 | N52-N645 PolarHBondContact ND2-OD1 3.21Å; N52-N645 VanDerWaalsContact ND2-OD1 3.13Å; Q643-N645 HydrophobicContact CG-CB 4.43Å; Q643-N645 PolarHBondContact O-N 3.47Å | ||
| 646 | S | 70.9 | Confident | 87.1 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | trans | -92.5 | 132.2 | 163.3 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | E55 A648 | E55-S646 WeakPolarHBondContact CB-OG 3.37Å; S646-A648 PolarHBondContact O-N 3.28Å; S646-A648 VanDerWaalsContact O-N 3.08Å | ||
| 647 | Y | 79.9 | Confident | 87 | Confident | 143 Ų | 143 | 43.5 Ų | 43.5 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | trans | -83.8 | 44.6 | 172.1 | -66.4 | -79.5 | 0 | 0 | 0 | 111.2 | F658 I660 | Y647-F658 HydrophobicContact CD2-CE1 4.33Å; Y647-F658 AromaticContact CD2-CE2 3.93Å; Y647-F658 HydrophobicContact CD2-CE2 3.93Å; Y647-F658 AromaticContact CD2-CZ 3.59Å; Y647-F658 HydrophobicContact CD2-CZ 3.59Å; Y647-F658 HydrophobicContact CE2-CZ 4.48Å; Y647-F658 HydrophobicContact CG-CE1 4.49Å; Y647-F658 HydrophobicContact CG-CZ 4.11Å; Y647-I660 HydrophobicContact CD2-CD1 3.58Å; Y647-I660 HydrophobicContact CE2-CD1 3.27Å | ||
| 648 | A | 83.4 | Confident | 86.8 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | trans | -67.2 | 140.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S646 A650 D655 | S646-A648 PolarHBondContact O-N 3.28Å; S646-A648 VanDerWaalsContact O-N 3.08Å; A648-A650 PolarHBondContact O-N 2.98Å; A648-D655 WeakPolarHBondContact CB-O 3.22Å | ||
| 649 | K | 85.9 | Confident | 86.5 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | trans | -61.5 | 134.6 | 174.6 | -76.2 | 170.1 | -170.5 | 172.9 | 0 | 111.2 | L651 D652 D655 | K649-L651 VanDerWaalsContact C-N 3.27Å; K649-L651 PolarHBondContact O-N 2.87Å; K649-D652 HydrophobicContact CB-CB 3.96Å; K649-D652 HydrophobicContact CD-CB 4.42Å; K649-D655 HydrophobicContact CB-CB 4.28Å; K649-D655 WeakPolarHBondContact CB-OD2 3.31Å; K649-D655 VanDerWaalsContact CD-OD2 3.29Å; K649-D655 WeakPolarHBondContact CD-OD2 3.26Å; K649-D655 WeakPolarHBondContact CG-OD2 3.15Å; K649-D655 PolarHBondContact N-OD2 3.33Å | ||
| 650 | A | 86.6 | Confident | 86.1 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A648 | A648-A650 PolarHBondContact O-N 2.98Š|
| 651 | L | 88 | Confident | 85.7 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -0.8 | -174.8 | -65.7 | 170.1 | 0 | 0 | 0 | 113.3 | V401 R480 L484 K649 | V401-L651 HydrophobicContact CG1-CB 4.25Å; V401-L651 HydrophobicContact CG2-CD1 3.82Å; R480-L651 HydrophobicContact CB-CD2 3.61Å; L484-L651 HydrophobicContact CD2-CD1 4.46Å; K649-L651 VanDerWaalsContact C-N 3.27Å; K649-L651 PolarHBondContact O-N 2.87Å |
| 652 | D | 88.3 | Confident | 85.6 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | trans | -115.2 | 111.7 | -178 | -167.4 | -10.7 | 0 | 0 | 0 | 109.7 | K649 Y654 D655 | K649-D652 HydrophobicContact CB-CB 3.96Å; K649-D652 HydrophobicContact CD-CB 4.42Å; D652-Y654 VanDerWaalsContact C-N 3.27Å; D652-Y654 PolarHBondContact O-N 3.11Å; D652-Y654 WeakPolarHBondContact OD1-CD2 3.34Å; D652-Y654 PolarHBondContact OD1-N 3.45Å; D652-Y654 VanDerWaalsContact OD1-N 3.08Å; D652-D655 HydrophobicContact CB-CB 4.07Å | ||
| 653 | P | 88.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 5% | 0.045 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20.6 | 178.9 | 29.8 | -33.2 | 0 | 0 | 0 | 112.9 | M41 F403 I477 D655 | M41-P653 HydrophobicContact SD-CB 4.46Å; F403-P653 HydrophobicContact CB-CG 4.26Å; F403-P653 HydrophobicContact CD1-CG 3.89Å; F403-P653 HydrophobicContact CD2-CG 3.57Å; F403-P653 HydrophobicContact CE1-CG 4.11Å; F403-P653 HydrophobicContact CE2-CG 3.82Å; F403-P653 VanDerWaalsContact CG-CD 3.43Å; F403-P653 HydrophobicContact CG-CG 3.62Å; F403-P653 HydrophobicContact CZ-CG 4.09Å; I477-P653 HydrophobicContact CD1-CB 3.94Å; P653-D655 VanDerWaalsContact C-N 3.33Å |
| 654 | Y | 87.6 | Confident | 84.9 | Confident | 132 Ų | 132 | 62.4 Ų | 62.4 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.5 | -179.2 | -56 | -71.3 | 0 | 0 | 0 | 112.8 | M41 F403 D652 | M41-Y654 HydrophobicContact CE-CE1 4.29Å; M41-Y654 HydrophobicContact SD-CE1 4.15Å; F403-Y654 HydrophobicContact CD2-CE2 4.08Å; D652-Y654 VanDerWaalsContact C-N 3.27Å; D652-Y654 PolarHBondContact O-N 3.11Å; D652-Y654 WeakPolarHBondContact OD1-CD2 3.34Å; D652-Y654 PolarHBondContact OD1-N 3.45Å; D652-Y654 VanDerWaalsContact OD1-N 3.08Å |
| 655 | D | 87.9 | Confident | 84.8 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | trans | -90.4 | 108.7 | 175.8 | -171.2 | 7.6 | 0 | 0 | 0 | 109.9 | R46 A648 K649 D652 P653 G657 | R46-D655 PolarHBondContact NH2-O 3.25Å; A648-D655 WeakPolarHBondContact CB-O 3.22Å; K649-D655 HydrophobicContact CB-CB 4.28Å; K649-D655 WeakPolarHBondContact CB-OD2 3.31Å; K649-D655 VanDerWaalsContact CD-OD2 3.29Å; K649-D655 WeakPolarHBondContact CD-OD2 3.26Å; K649-D655 WeakPolarHBondContact CG-OD2 3.15Å; K649-D655 PolarHBondContact N-OD2 3.33Å; D652-D655 HydrophobicContact CB-CB 4.07Å; P653-D655 VanDerWaalsContact C-N 3.33Å; D655-G657 VanDerWaalsContact C-N 3.32Å; D655-G657 PolarHBondContact OD1-N 3.42Å | ||
| 656 | H | 85.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | trans | -90.1 | 0.8 | 174.5 | -64.1 | -72.6 | 0 | 0 | 0 | 112.3 | E55 F58 N59 | E55-H656 IonicContact OE1-ND1 2.88Å; E55-H656 WeakPolarHBondContact OE2-CA 3.41Å; E55-H656 VanDerWaalsContact OE2-CB 3.31Å; E55-H656 WeakPolarHBondContact OE2-CB 3.28Å; E55-H656 IonicContact OE2-CE1 2.83Å; E55-H656 IonicContact OE2-CG 2.7Å; E55-H656 IonicContact OE2-ND1 2.66Å; E55-H656 PolarHBondContact OE2-ND1 2.88Å; F58-H656 HydrophobicContact CD1-CB 4.12Å; F58-H656 AromaticContact CD1-CG 3.81Å; F58-H656 AromaticContact CD1-ND1 3.9Å; F58-H656 HydrophobicContact CE1-CB 4.39Å; F58-H656 AromaticContact CE1-CD2 3.7Å; F58-H656 AromaticContact CE1-CG 3.81Å; F58-H656 AromaticContact CE1-NE2 3.93Å; N59-H656 PolarHBondContact ND2-O 3.24Å | ||
| 657 | G | 86.6 | Confident | 85.6 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | trans | 71 | -153.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D655 | D655-G657 VanDerWaalsContact C-N 3.32Å; D655-G657 PolarHBondContact OD1-N 3.42Å | ||
| 658 | F | 86.2 | Confident | 85.7 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | trans | -136.8 | 150.4 | -178.8 | 53.4 | -89 | 0 | 0 | 0 | 110.7 | Y647 I660 | Y647-F658 HydrophobicContact CD2-CE1 4.33Å; Y647-F658 AromaticContact CD2-CE2 3.93Å; Y647-F658 HydrophobicContact CD2-CE2 3.93Å; Y647-F658 AromaticContact CD2-CZ 3.59Å; Y647-F658 HydrophobicContact CD2-CZ 3.59Å; Y647-F658 HydrophobicContact CE2-CZ 4.48Å; Y647-F658 HydrophobicContact CG-CE1 4.49Å; Y647-F658 HydrophobicContact CG-CZ 4.11Å; F658-I660 HydrophobicContact CD2-CD1 4.3Å; F658-I660 HydrophobicContact CD2-CG1 3.84Å; F658-I660 HydrophobicContact CE2-CD1 3.77Å; F658-I660 HydrophobicContact CE2-CG1 3.75Å | ||
| 659 | L | 85.4 | Confident | 85.5 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | trans | -82.7 | 131.6 | -178.5 | -164.3 | 140.2 | 0 | 0 | 0 | 111 | N59 L60 W70 V642 P661 | N59-L659 HydrophobicContact CB-CB 4.09Å; N59-L659 HydrophobicContact CB-CD1 4.03Å; L60-L659 VanDerWaalsContact CA-CD1 3.41Å; L60-L659 HydrophobicContact CB-CD1 3.6Å; L60-L659 HydrophobicContact CD1-CD1 3.99Å; L60-L659 HydrophobicContact CG-CD1 4.39Å; L60-L659 VanDerWaalsContact N-CD1 3.3Å; W70-L659 HydrophobicContact CH2-CD2 3.21Å; W70-L659 HydrophobicContact CZ2-CD2 3.94Å; W70-L659 HydrophobicContact CZ3-CD2 3.83Å; V642-L659 HydrophobicContact CB-CD2 4.43Å; V642-L659 HydrophobicContact CG1-CD1 3.9Å; V642-L659 HydrophobicContact CG1-CD2 3.62Å; V642-L659 HydrophobicContact CG1-CG 3.55Å; V642-L659 HydrophobicContact CG2-CD2 3.97Å; L659-P661 WeakPolarHBondContact O-CD 3.26Å | ||
| 660 | I | 84.8 | Confident | 85.5 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | trans | -109.6 | 106.8 | -179.6 | -60.8 | 170.5 | 0 | 0 | 0 | 109.1 | Q643 Y647 F658 | Q643-I660 HydrophobicContact CB-CB 4.26Å; Q643-I660 HydrophobicContact CB-CG2 4.48Å; Q643-I660 PolarHBondContact N-O 3.31Å; Y647-I660 HydrophobicContact CD2-CD1 3.58Å; Y647-I660 HydrophobicContact CE2-CD1 3.27Å; F658-I660 HydrophobicContact CD2-CD1 4.3Å; F658-I660 HydrophobicContact CD2-CG1 3.84Å; F658-I660 HydrophobicContact CE2-CD1 3.77Å; F658-I660 HydrophobicContact CE2-CG1 3.75Å | ||
| 661 | P | 83.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 133.1 | 176.3 | 28.4 | -32 | 0 | 0 | 0 | 110.1 | W70 G641 L659 K782 | W70-P661 HydrophobicContact CH2-CB 4.22Å; W70-P661 HydrophobicContact CZ2-CB 4.26Å; G641-P661 WeakPolarHBondContact O-CA 3.41Å; L659-P661 WeakPolarHBondContact O-CD 3.26Å; P661-K782 HydrophobicContact CB-CD 4.41Å |
| 662 | V | 85.9 | Confident | 85.6 | Confident | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 127.3 | 172.9 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | G641 Q643 F664 | G641-V662 WeakPolarHBondContact CA-O 3.41Å; G641-V662 PolarHBondContact O-N 2.84Å; Q643-V662 HydrophobicContact CB-CG2 3.9Å; V662-F664 PolarHBondContact O-N 3.35Å |
| 663 | Q | 81.7 | Confident | 85.6 | Confident | 194 Ų | 194 | 60.2 Ų | 60.2 | 91% | 0.907 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 125.3 | 171.8 | -69.9 | -172.2 | -8.4 | 0 | 0 | 109.1 | ||
| 664 | F | 86.1 | Confident | 85.8 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | trans | -131.9 | 148.7 | 170.5 | 76.3 | -80 | 0 | 0 | 0 | 108.4 | W640 V662 L666 L781 K782 L784 E822 I823 | W640-F664 HydrophobicContact CB-CE2 4.44Å; W640-F664 HydrophobicContact CB-CZ 4.43Å; V662-F664 PolarHBondContact O-N 3.35Å; F664-L666 HydrophobicContact CD2-CB 4.48Å; F664-L666 HydrophobicContact CE2-CB 4.02Å; F664-L666 HydrophobicContact CE2-CD1 4.11Å; F664-L781 HydrophobicContact CE1-CD2 4.45Å; F664-L781 HydrophobicContact CE1-CG 4.42Å; F664-L781 HydrophobicContact CE2-CD2 3.86Å; F664-L781 HydrophobicContact CZ-CD2 3.62Å; F664-L781 HydrophobicContact CZ-CG 3.93Å; F664-K782 WeakPolarHBondContact CE1-O 3.4Å; F664-L784 HydrophobicContact CE2-CB 4.34Å; F664-L784 HydrophobicContact CZ-CB 3.93Å; F664-E822 WeakPolarHBondContact CB-O 3.46Å; F664-I823 HydrophobicContact CD2-CG2 4.04Å | ||
| 665 | D | 84.7 | Confident | 85.9 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | trans | -108.8 | 106.5 | 176.5 | -168.8 | -2.4 | 0 | 0 | 0 | 109.6 | W667 S671 E822 | D665-W667 VanDerWaalsContact C-N 3.3Å; D665-W667 PolarHBondContact OD1-N 2.88Å; D665-S671 WeakPolarHBondContact O-CB 3.49Å; D665-S671 PolarHBondContact O-OG 3.33Å; D665-E822 HydrophobicContact CB-CB 4.44Å; D665-E822 HydrophobicContact CB-CG 4.42Å | ||
| 666 | L | 85.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -30.7 | 177.8 | -172 | 72.4 | 0 | 0 | 0 | 111.8 | F664 S671 Y672 I675 M701 L740 L781 L784 | F664-L666 HydrophobicContact CD2-CB 4.48Å; F664-L666 HydrophobicContact CE2-CB 4.02Å; F664-L666 HydrophobicContact CE2-CD1 4.11Å; L666-S671 VanDerWaalsContact O-CB 3.23Å; L666-S671 WeakPolarHBondContact O-CB 3.31Å; L666-Y672 PolarHBondContact O-N 2.61Å; L666-I675 HydrophobicContact CD1-CD1 3.12Å; L666-I675 HydrophobicContact CG-CD1 4.44Å; L666-M701 HydrophobicContact CD1-CE 3.91Å; L666-M701 HydrophobicContact CD2-CE 3.73Å; L666-M701 HydrophobicContact CG-CE 3.78Å; L666-L740 HydrophobicContact CD2-CD2 4.42Å; L666-L781 HydrophobicContact CB-CD2 3.65Å; L666-L781 HydrophobicContact CD2-CD2 3.76Å; L666-L781 HydrophobicContact CG-CD2 4.27Å; L666-L784 HydrophobicContact CD1-CD2 3.84Å |
| 667 | W | 85.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 12.8 | -165.5 | -57.7 | 120.9 | 0 | 0 | 0 | 113.4 | D665 M701 F704 A733 L736 D737 L740 | D665-W667 VanDerWaalsContact C-N 3.3Å; D665-W667 PolarHBondContact OD1-N 2.88Å; W667-M701 HydrophobicContact CH2-CE 4.25Å; W667-M701 HydrophobicContact CZ3-CE 3.97Å; W667-M701 HydrophobicContact CZ3-SD 4.33Å; W667-F704 HydrophobicContact CH2-CD1 4.36Å; W667-F704 AromaticContact CH2-CE1 3.65Å; W667-F704 HydrophobicContact CH2-CE1 3.65Å; W667-F704 HydrophobicContact CH2-CZ 4.2Å; W667-F704 AromaticContact CZ3-CE1 3.9Å; W667-F704 HydrophobicContact CZ3-CE1 3.9Å; W667-A733 HydrophobicContact CB-CB 3.69Å; W667-L736 HydrophobicContact CD2-CB 3.87Å; W667-L736 HydrophobicContact CE3-CB 3.76Å; W667-L736 HydrophobicContact CE3-CD1 4.23Å; W667-L736 HydrophobicContact CE3-CD2 4.34Å; W667-L736 HydrophobicContact CE3-CG 4.33Å; W667-L736 HydrophobicContact CG-CB 4.34Å; W667-L736 HydrophobicContact CH2-CB 4.45Å; W667-L736 HydrophobicContact CZ3-CB 4.09Å; W667-L736 HydrophobicContact CZ3-CD2 4.13Å; W667-D737 PolarHBondContact NE1-OD1 3.31Å; W667-L740 HydrophobicContact CH2-CB 3.82Å; W667-L740 HydrophobicContact CH2-CD2 3.61Å; W667-L740 HydrophobicContact CH2-CG 4.2Å; W667-L740 HydrophobicContact CZ2-CB 3.61Å; W667-L740 HydrophobicContact CZ2-CD2 3.35Å; W667-L740 HydrophobicContact CZ2-CG 4.07Å |
| 668 | S | 83.2 | Confident | 86.4 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -61.1 | 148.2 | 167.4 | 98 | 0 | 0 | 0 | 0 | 109.7 | R670 S671 Y672 E822 | S668-R670 PolarHBondContact O-N 3.21Å; S668-S671 PolarHBondContact O-N 2.81Å; S668-S671 WeakPolarHBondContact OG-CB 3.37Å; S668-S671 PolarHBondContact OG-N 3.1Å; S668-S671 PolarHBondContact OG-OG 3.24Å; S668-Y672 WeakPolarHBondContact O-CD1 3.4Å; S668-E822 WeakPolarHBondContact CB-OE2 3.43Å; S668-E822 PolarHBondContact OG-OE2 2.94Å |
| 669 | N | 79.1 | Confident | 86.6 | Confident | 129 Ų | 129 | 51.8 Ų | 51.8 | 69% | 0.69 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.2 | -176.2 | -85.8 | -4.1 | 0 | 0 | 0 | 114.4 | ||
| 670 | R | 85.8 | Confident | 86.7 | Confident | 197 Ų | 197 | 53.3 Ų | 53.3 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -29.4 | 177.5 | -68.2 | -176.5 | 179.1 | 174.2 | -0.4 | 113.4 | S668 W674 P820 | S668-R670 PolarHBondContact O-N 3.21Å; R670-W674 VanDerWaalsContact O-CB 3.32Å; R670-W674 WeakPolarHBondContact O-CB 3.31Å; R670-W674 PolarHBondContact O-N 3.02Å; R670-P820 HydrophobicContact CB-CG 3.86Å |
| 671 | S | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -50.7 | -173.7 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | D665 L666 S668 L673 W674 I675 E822 | D665-S671 WeakPolarHBondContact O-CB 3.49Å; D665-S671 PolarHBondContact O-OG 3.33Å; L666-S671 VanDerWaalsContact O-CB 3.23Å; L666-S671 WeakPolarHBondContact O-CB 3.31Å; S668-S671 PolarHBondContact O-N 2.81Å; S668-S671 WeakPolarHBondContact OG-CB 3.37Å; S668-S671 PolarHBondContact OG-N 3.1Å; S668-S671 PolarHBondContact OG-OG 3.24Å; S671-L673 VanDerWaalsContact C-N 3.34Å; S671-L673 PolarHBondContact O-N 3.4Å; S671-W674 PolarHBondContact O-N 3.33Å; S671-I675 WeakPolarHBondContact O-CG1 3.48Å; S671-I675 PolarHBondContact O-N 3.44Å; S671-E822 PolarHBondContact OG-OE2 3.2Å |
| 672 | Y | 86.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -34.8 | -175.8 | 79 | -90.6 | 0 | 0 | 0 | 112.3 | L666 S668 I675 R676 L705 | L666-Y672 PolarHBondContact O-N 2.61Å; S668-Y672 WeakPolarHBondContact O-CD1 3.4Å; Y672-I675 PolarHBondContact O-N 3.25Å; Y672-R676 PolarHBondContact O-N 3.24Å; Y672-R676 VanDerWaalsContact O-N 3.17Å; Y672-L705 HydrophobicContact CD2-CD1 4.14Å; Y672-L705 HydrophobicContact CD2-CD2 4.28Å; Y672-L705 HydrophobicContact CE2-CD1 4.17Å; Y672-L705 HydrophobicContact CE2-CD2 4.08Å |
| 673 | L | 88.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 173.4 | -69.3 | 175.2 | 0 | 0 | 0 | 111 | S671 I675 R676 D677 | S671-L673 VanDerWaalsContact C-N 3.34Å; S671-L673 PolarHBondContact O-N 3.4Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.12Å; L673-R676 WeakPolarHBondContact O-CB 3.38Å; L673-R676 PolarHBondContact O-N 2.95Å; L673-D677 VanDerWaalsContact O-CG 3.23Å; L673-D677 PolarHBondContact O-N 3.05Å |
| 674 | W | 92 | Very high | 87.5 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.6 | -175.2 | 89.7 | 0 | 0 | 0 | 111.8 | W640 R670 S671 R676 D677 F678 E815 T818 A819 I823 | W640-W674 HydrophobicContact CZ2-CZ3 4.1Å; R670-W674 VanDerWaalsContact O-CB 3.32Å; R670-W674 WeakPolarHBondContact O-CB 3.31Å; R670-W674 PolarHBondContact O-N 3.02Å; S671-W674 PolarHBondContact O-N 3.33Å; W674-R676 VanDerWaalsContact C-N 3.33Å; W674-R676 PolarHBondContact O-N 3.37Å; W674-D677 PolarHBondContact O-N 3.31Å; W674-F678 HydrophobicContact CD2-CB 4.48Å; W674-F678 HydrophobicContact CE3-CB 4.14Å; W674-F678 HydrophobicContact CH2-CB 4.05Å; W674-F678 AromaticContact CH2-CD2 3.5Å; W674-F678 HydrophobicContact CH2-CD2 3.5Å; W674-F678 HydrophobicContact CH2-CE2 4.16Å; W674-F678 AromaticContact CH2-CG 3.84Å; W674-F678 HydrophobicContact CH2-CG 3.84Å; W674-F678 HydrophobicContact CZ2-CB 4.36Å; W674-F678 AromaticContact CZ2-CD2 3.91Å; W674-F678 HydrophobicContact CZ2-CD2 3.91Å; W674-F678 HydrophobicContact CZ2-CG 4.43Å; W674-F678 HydrophobicContact CZ3-CB 3.93Å; W674-F678 HydrophobicContact CZ3-CD2 4.12Å; W674-F678 AromaticContact CZ3-CG 3.98Å; W674-F678 HydrophobicContact CZ3-CG 3.98Å; W674-F678 WeakPolarHBondContact O-CB 3.12Å; W674-F678 PolarHBondContact O-N 2.96Å; W674-E815 WeakPolarHBondContact CZ2-O 3.22Å; W674-T818 PolarHBondContact NE1-OG1 3.21Å; W674-A819 HydrophobicContact CD2-CB 3.89Å; W674-A819 HydrophobicContact CE3-CB 4.22Å; W674-A819 HydrophobicContact CH2-CB 3.91Å; W674-A819 HydrophobicContact CZ2-CB 3.55Å; W674-A819 HydrophobicContact CZ3-CB 4.22Å; W674-I823 HydrophobicContact CB-CD1 4.29Å; W674-I823 HydrophobicContact CD2-CD1 4Å; W674-I823 HydrophobicContact CE3-CD1 3.38Å; W674-I823 HydrophobicContact CE3-CG1 4.45Å; W674-I823 HydrophobicContact CG-CD1 4.38Å; W674-I823 HydrophobicContact CZ3-CD1 4.07Å |
| 675 | I | 90.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.4 | -73.1 | 170.6 | 0 | 0 | 0 | 111.9 | L666 S671 Y672 L673 C679 M701 L784 I823 | L666-I675 HydrophobicContact CD1-CD1 3.12Å; L666-I675 HydrophobicContact CG-CD1 4.44Å; S671-I675 WeakPolarHBondContact O-CG1 3.48Å; S671-I675 PolarHBondContact O-N 3.44Å; Y672-I675 PolarHBondContact O-N 3.25Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.12Å; I675-C679 WeakPolarHBondContact O-CB 3.23Å; I675-C679 PolarHBondContact O-N 2.89Å; I675-M701 HydrophobicContact CB-CG 4.47Å; I675-M701 HydrophobicContact CG2-CG 3.78Å; I675-L784 HydrophobicContact CD1-CD2 3.81Å; I675-I823 HydrophobicContact CD1-CD1 4.33Å; I675-I823 HydrophobicContact CG1-CD1 4.07Å |
| 676 | R | 88.8 | Confident | 87.9 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 30% | 0.302 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 174 | -176.8 | -164.1 | 67 | 174.7 | 1.7 | 110.8 | Y672 L673 W674 F678 C679 A680 M701 D702 | Y672-R676 PolarHBondContact O-N 3.24Å; Y672-R676 VanDerWaalsContact O-N 3.17Å; L673-R676 WeakPolarHBondContact O-CB 3.38Å; L673-R676 PolarHBondContact O-N 2.95Å; W674-R676 VanDerWaalsContact C-N 3.33Å; W674-R676 PolarHBondContact O-N 3.37Å; R676-F678 VanDerWaalsContact C-N 3.3Å; R676-F678 PolarHBondContact O-N 3.49Å; R676-C679 WeakPolarHBondContact O-CB 3.28Å; R676-C679 PolarHBondContact O-N 3.27Å; R676-A680 PolarHBondContact O-N 3.42Å; R676-A680 VanDerWaalsContact O-N 3.08Å; R676-M701 HydrophobicContact CB-CB 4.25Å; R676-D702 WeakPolarHBondContact CD-OD1 3.37Å; R676-D702 WeakPolarHBondContact CG-OD1 3.42Å |
| 677 | D | 90.8 | Very high | 88.2 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | -178.7 | -60.5 | -10.8 | 0 | 0 | 0 | 111.4 | L673 W674 A680 S681 | L673-D677 VanDerWaalsContact O-CG 3.23Å; L673-D677 PolarHBondContact O-N 3.05Å; W674-D677 PolarHBondContact O-N 3.31Å; D677-A680 PolarHBondContact O-N 3.07Å; D677-S681 WeakPolarHBondContact O-CB 3.23Å; D677-S681 PolarHBondContact O-N 2.92Å; D677-S681 PolarHBondContact O-OG 3.41Å |
| 678 | F | 91.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 172.5 | 174.6 | -95 | 0 | 0 | 0 | 111.7 | I638 W640 W674 R676 A680 S681 I682 W811 E815 | I638-F678 HydrophobicContact CD1-CE1 3.83Å; I638-F678 HydrophobicContact CD1-CZ 3.57Å; W640-F678 HydrophobicContact CH2-CD1 4.36Å; W640-F678 AromaticContact CH2-CE1 3.96Å; W640-F678 HydrophobicContact CH2-CE1 3.96Å; W640-F678 HydrophobicContact CH2-CZ 4.49Å; W640-F678 HydrophobicContact CZ2-CE1 4.5Å; W674-F678 HydrophobicContact CD2-CB 4.48Å; W674-F678 HydrophobicContact CE3-CB 4.14Å; W674-F678 HydrophobicContact CH2-CB 4.05Å; W674-F678 AromaticContact CH2-CD2 3.5Å; W674-F678 HydrophobicContact CH2-CD2 3.5Å; W674-F678 HydrophobicContact CH2-CE2 4.16Å; W674-F678 AromaticContact CH2-CG 3.84Å; W674-F678 HydrophobicContact CH2-CG 3.84Å; W674-F678 HydrophobicContact CZ2-CB 4.36Å; W674-F678 AromaticContact CZ2-CD2 3.91Å; W674-F678 HydrophobicContact CZ2-CD2 3.91Å; W674-F678 HydrophobicContact CZ2-CG 4.43Å; W674-F678 HydrophobicContact CZ3-CB 3.93Å; W674-F678 HydrophobicContact CZ3-CD2 4.12Å; W674-F678 AromaticContact CZ3-CG 3.98Å; W674-F678 HydrophobicContact CZ3-CG 3.98Å; W674-F678 WeakPolarHBondContact O-CB 3.12Å; W674-F678 PolarHBondContact O-N 2.96Å; R676-F678 VanDerWaalsContact C-N 3.3Å; R676-F678 PolarHBondContact O-N 3.49Å; F678-A680 VanDerWaalsContact C-N 3.32Å; F678-A680 PolarHBondContact O-N 3Å; F678-S681 PolarHBondContact O-N 3.49Å; F678-I682 HydrophobicContact CE1-CD1 4.37Å; F678-I682 HydrophobicContact CZ-CD1 4.06Å; F678-I682 WeakPolarHBondContact O-CG2 3.36Å; F678-I682 PolarHBondContact O-N 2.64Å; F678-W811 HydrophobicContact CD2-CH2 4.47Å; F678-W811 AromaticContact CE2-CH2 3.92Å; F678-W811 HydrophobicContact CE2-CH2 3.92Å; F678-W811 AromaticContact CE2-CZ3 3.77Å; F678-W811 HydrophobicContact CE2-CZ3 3.77Å; F678-W811 HydrophobicContact CZ-CH2 4.38Å; F678-W811 HydrophobicContact CZ-CZ3 4.04Å; F678-E815 HydrophobicContact CD2-CB 4.3Å; F678-E815 HydrophobicContact CE2-CB 4.09Å |
| 679 | C | 88.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 176 | -91.9 | 0 | 0 | 0 | 0 | 112.8 | I675 R676 I682 A683 C699 | I675-C679 WeakPolarHBondContact O-CB 3.23Å; I675-C679 PolarHBondContact O-N 2.89Å; R676-C679 WeakPolarHBondContact O-CB 3.28Å; R676-C679 PolarHBondContact O-N 3.27Å; C679-I682 WeakPolarHBondContact O-CG2 3.43Å; C679-A683 WeakPolarHBondContact O-CB 3.14Å; C679-A683 PolarHBondContact O-N 3.07Å; C679-C699 HydrophobicContact CB-CB 3.61Å; C679-C699 WeakPolarHBondContact CB-SG 3.22Å; C679-C699 WeakPolarHBondContact SG-CA 3.25Å; C679-C699 WeakPolarHBondContact SG-CB 3.31Å; C679-C699 CovalentContact SG-SG 2.03Å; C679-C699 PolarHBondContact SG-SG 2.86Å |
| 680 | A | 87.8 | Confident | 87.9 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | R676 D677 F678 | R676-A680 PolarHBondContact O-N 3.42Å; R676-A680 VanDerWaalsContact O-N 3.08Å; D677-A680 PolarHBondContact O-N 3.07Å; F678-A680 VanDerWaalsContact C-N 3.32Å; F678-A680 PolarHBondContact O-N 3Å |
| 681 | S | 91.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | -178 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | D677 F678 A683 L684 | D677-S681 WeakPolarHBondContact O-CB 3.23Å; D677-S681 PolarHBondContact O-N 2.92Å; D677-S681 PolarHBondContact O-OG 3.41Å; F678-S681 PolarHBondContact O-N 3.49Å; S681-A683 VanDerWaalsContact C-N 3.29Å; S681-A683 PolarHBondContact O-N 3.17Å; S681-L684 PolarHBondContact O-N 3.36Å |
| 682 | I | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 179.7 | -161.4 | 167.7 | 0 | 0 | 0 | 112.3 | I638 F678 C679 L684 E685 F687 I688 F788 W811 | I638-I682 HydrophobicContact CD1-CD1 3.8Å; F678-I682 HydrophobicContact CE1-CD1 4.37Å; F678-I682 HydrophobicContact CZ-CD1 4.06Å; F678-I682 WeakPolarHBondContact O-CG2 3.36Å; F678-I682 PolarHBondContact O-N 2.64Å; C679-I682 WeakPolarHBondContact O-CG2 3.43Å; I682-L684 PolarHBondContact O-N 3.39Å; I682-E685 WeakPolarHBondContact O-CB 3.24Å; I682-E685 PolarHBondContact O-N 2.89Å; I682-F687 HydrophobicContact CG1-CE2 4.48Å; I682-I688 HydrophobicContact CG1-CD1 4.34Å; I682-I688 HydrophobicContact CG1-CG1 4.06Å; I682-I688 VanDerWaalsContact O-CG1 3.31Å; I682-I688 WeakPolarHBondContact O-CG1 3.22Å; I682-F788 HydrophobicContact CD1-CD2 3.78Å; I682-F788 HydrophobicContact CD1-CE2 3.68Å; I682-F788 HydrophobicContact CD1-CG 4.49Å; I682-F788 HydrophobicContact CD1-CZ 4.35Å; I682-F788 HydrophobicContact CG1-CE2 4.44Å; I682-F788 HydrophobicContact CG2-CD1 4.39Å; I682-F788 HydrophobicContact CG2-CD2 4.46Å; I682-F788 HydrophobicContact CG2-CE1 3.63Å; I682-F788 HydrophobicContact CG2-CE2 3.69Å; I682-F788 HydrophobicContact CG2-CZ 3.22Å; I682-W811 HydrophobicContact CB-CH2 3.42Å; I682-W811 VanDerWaalsContact CB-CH2 3.42Å; I682-W811 HydrophobicContact CB-CZ2 4.2Å; I682-W811 HydrophobicContact CB-CZ3 3.95Å; I682-W811 HydrophobicContact CD1-CH2 4.08Å; I682-W811 HydrophobicContact CD1-CZ3 3.65Å; I682-W811 HydrophobicContact CG1-CH2 3.62Å; I682-W811 HydrophobicContact CG1-CZ2 4.42Å; I682-W811 HydrophobicContact CG1-CZ3 3.65Å |
| 683 | A | 84.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -20.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C679 S681 Y690 | C679-A683 WeakPolarHBondContact O-CB 3.14Å; C679-A683 PolarHBondContact O-N 3.07Å; S681-A683 VanDerWaalsContact C-N 3.29Å; S681-A683 PolarHBondContact O-N 3.17Å; A683-Y690 HydrophobicContact CB-CD2 4.43Å; A683-Y690 HydrophobicContact CB-CE2 4.34Å |
| 684 | L | 88.8 | Confident | 83.1 | Confident | 154 Ų | 154 | 54.2 Ų | 54.2 | 81% | 0.806 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.5 | 176.7 | -67.4 | 169.4 | 0 | 0 | 0 | 113 | S681 I682 | S681-L684 PolarHBondContact O-N 3.36Å; I682-L684 PolarHBondContact O-N 3.39Å |
| 685 | E | 90.8 | Very high | 81.2 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -75.2 | 139.2 | -176.8 | -75.4 | -62 | 155.8 | 0 | 0 | 112.9 | I682 F687 I688 W811 | I682-E685 WeakPolarHBondContact O-CB 3.24Å; I682-E685 PolarHBondContact O-N 2.89Å; E685-F687 HydrophobicContact CB-CD1 3.84Å; E685-F687 HydrophobicContact CB-CE1 3.49Å; E685-F687 VanDerWaalsContact CB-CE1 3.49Å; E685-F687 HydrophobicContact CB-CE2 4.36Å; E685-F687 HydrophobicContact CB-CG 4.41Å; E685-F687 HydrophobicContact CB-CZ 3.77Å; E685-F687 HydrophobicContact CG-CD1 4.45Å; E685-F687 HydrophobicContact CG-CE1 3.67Å; E685-F687 HydrophobicContact CG-CZ 3.93Å; E685-F687 PolarHBondContact O-N 3.43Å; E685-F687 VanDerWaalsContact O-N 3.08Å; E685-I688 HydrophobicContact CB-CG1 4.49Å; E685-I688 PolarHBondContact O-N 3.08Å; E685-W811 HydrophobicContact CG-CD2 4.32Å; E685-W811 HydrophobicContact CG-CZ2 3.76Å; E685-W811 PolarHBondContact OE1-NE1 3.44Å |
| 686 | S | 89.4 | Confident | 79.5 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 74% | 0.741 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20 | -177.3 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | I688 T791 | S686-I688 VanDerWaalsContact C-N 3.35Å; S686-T791 PolarHBondContact O-OG1 3.31Å |
| 687 | F | 90.3 | Very high | 78.1 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.4 | 178.8 | 62.5 | -99.7 | 0 | 0 | 0 | 113.6 | I636 I682 E685 S790 T791 F792 T807 V808 W811 | I636-F687 HydrophobicContact CD1-CD2 4.18Å; I636-F687 HydrophobicContact CD1-CE2 4.31Å; I682-F687 HydrophobicContact CG1-CE2 4.48Å; E685-F687 HydrophobicContact CB-CD1 3.84Å; E685-F687 HydrophobicContact CB-CE1 3.49Å; E685-F687 VanDerWaalsContact CB-CE1 3.49Å; E685-F687 HydrophobicContact CB-CE2 4.36Å; E685-F687 HydrophobicContact CB-CG 4.41Å; E685-F687 HydrophobicContact CB-CZ 3.77Å; E685-F687 HydrophobicContact CG-CD1 4.45Å; E685-F687 HydrophobicContact CG-CE1 3.67Å; E685-F687 HydrophobicContact CG-CZ 3.93Å; E685-F687 PolarHBondContact O-N 3.43Å; E685-F687 VanDerWaalsContact O-N 3.08Å; F687-S790 CarbonylContact O-C 3.56Å; F687-S790 WeakPolarHBondContact O-CA 3.28Å; F687-S790 PolarHBondContact O-OG 2.97Å; F687-T791 WeakPolarHBondContact CA-OG1 3.35Å; F687-T791 PolarHBondContact O-N 2.99Å; F687-T791 PolarHBondContact O-OG1 3.18Å; F687-F792 HydrophobicContact CB-CD2 4.06Å; F687-F792 HydrophobicContact CB-CE2 3.66Å; F687-T807 HydrophobicContact CD1-CG2 4.46Å; F687-V808 HydrophobicContact CD2-CG2 3.96Å; F687-V808 HydrophobicContact CE2-CG2 4.18Å; F687-V808 HydrophobicContact CG-CG2 4.35Å; F687-W811 HydrophobicContact CE1-CB 4.24Å; F687-W811 HydrophobicContact CE1-CD2 4.26Å; F687-W811 HydrophobicContact CE1-CG 4.02Å; F687-W811 HydrophobicContact CZ-CB 4.39Å; F687-W811 AromaticContact CZ-CD2 3.92Å; F687-W811 HydrophobicContact CZ-CD2 3.92Å; F687-W811 AromaticContact CZ-CE3 3.95Å; F687-W811 HydrophobicContact CZ-CE3 3.95Å; F687-W811 HydrophobicContact CZ-CG 4.1Å |
| 688 | I | 88.1 | Confident | 76.9 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 133.2 | 178.3 | -63.1 | -55.5 | 0 | 0 | 0 | 111.1 | I636 I682 E685 S686 Y690 L693 F788 T791 | I636-I688 HydrophobicContact CD1-CD1 3.97Å; I682-I688 HydrophobicContact CG1-CD1 4.34Å; I682-I688 HydrophobicContact CG1-CG1 4.06Å; I682-I688 VanDerWaalsContact O-CG1 3.31Å; I682-I688 WeakPolarHBondContact O-CG1 3.22Å; E685-I688 HydrophobicContact CB-CG1 4.49Å; E685-I688 PolarHBondContact O-N 3.08Å; S686-I688 VanDerWaalsContact C-N 3.35Å; I688-Y690 PolarHBondContact O-N 2.84Å; I688-L693 HydrophobicContact CG2-CD1 3.63Å; I688-F788 HydrophobicContact CD1-CB 3.75Å; I688-F788 HydrophobicContact CD1-CG 4.32Å; I688-F788 HydrophobicContact CG2-CD1 4.49Å; I688-T791 WeakPolarHBondContact O-CG2 3.3Å |
| 689 | D | 82.4 | Confident | 76.4 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | trans | -85.3 | 97 | 172.8 | -176.4 | -1.5 | 0 | 0 | 0 | 109.7 | D691 R692 F789 T791 | D689-D691 VanDerWaalsContact C-N 3.29Å; D689-D691 PolarHBondContact O-N 3.07Å; D689-D691 PolarHBondContact OD1-N 3.43Å; D689-R692 PolarHBondContact O-N 2.99Å; D689-R692 VanDerWaalsContact OD2-CD 3.28Å; D689-R692 WeakPolarHBondContact OD2-CD 3.37Å; D689-R692 WeakPolarHBondContact OD2-CG 3.26Å; D689-R692 IonicContact OD2-NE 3.75Å; D689-R692 PolarHBondContact OD2-NE 3.45Å; D689-F789 HydrophobicContact CB-CB 4.3Å; D689-F789 PolarHBondContact N-O 3.1Å; D689-T791 HydrophobicContact CB-CG2 4.22Å | ||
| 690 | Y | 71.4 | Confident | 76 | Confident | 131 Ų | 131 | 55 Ų | 55 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -63.4 | -32.7 | -176.7 | -168.2 | -91.5 | 0 | 0 | 0 | 113.2 | A683 I688 R692 L693 M695 | A683-Y690 HydrophobicContact CB-CD2 4.43Å; A683-Y690 HydrophobicContact CB-CE2 4.34Å; I688-Y690 PolarHBondContact O-N 2.84Å; Y690-R692 PolarHBondContact O-N 3.34Å; Y690-L693 HydrophobicContact CD2-CD1 4.43Å; Y690-L693 PolarHBondContact O-N 2.92Å; Y690-M695 WeakPolarHBondContact OH-CE 3.29Å |
| 691 | D | 68 | Low | 75.9 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 73% | 0.727 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -69.2 | -23.4 | -175.2 | -68.7 | -26.8 | 0 | 0 | 0 | 112.4 | D689 | D689-D691 VanDerWaalsContact C-N 3.29Å; D689-D691 PolarHBondContact O-N 3.07Å; D689-D691 PolarHBondContact OD1-N 3.43Å |
| 692 | R | 64.8 | Low | 75.4 | Confident | 141 Ų | 141 | 54.5 Ų | 54.5 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -99.2 | 7.7 | 178.5 | -65 | -173 | -174.3 | -141.7 | -3.4 | 113.8 | D689 Y690 P694 F789 | D689-R692 PolarHBondContact O-N 2.99Å; D689-R692 VanDerWaalsContact OD2-CD 3.28Å; D689-R692 WeakPolarHBondContact OD2-CD 3.37Å; D689-R692 WeakPolarHBondContact OD2-CG 3.26Å; D689-R692 IonicContact OD2-NE 3.75Å; D689-R692 PolarHBondContact OD2-NE 3.45Å; Y690-R692 PolarHBondContact O-N 3.34Å; R692-P694 WeakPolarHBondContact O-CD 3.5Å; R692-F789 HydrophobicContact CB-CB 4.06Å; R692-F789 HydrophobicContact CB-CD2 3.84Å; R692-F789 HydrophobicContact CB-CG 3.99Å; R692-F789 WeakPolarHBondContact O-CD2 3.42Å; R692-F789 WeakPolarHBondContact O-CE2 3.5Å |
| 693 | L | 59.9 | Low | 74.8 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | trans | -59.9 | 124.5 | -176.8 | -117.5 | 88 | 0 | 0 | 0 | 111.8 | I688 Y690 M695 R758 F788 | I688-L693 HydrophobicContact CG2-CD1 3.63Å; Y690-L693 HydrophobicContact CD2-CD1 4.43Å; Y690-L693 PolarHBondContact O-N 2.92Å; L693-M695 HydrophobicContact CB-CG 4.39Å; L693-M695 HydrophobicContact CD2-SD 4.4Å; L693-M695 PolarHBondContact O-N 2.78Å; L693-R758 PolarHBondContact O-NH1 3.18Å; L693-F788 HydrophobicContact CD1-CD1 4.29Å; L693-F788 HydrophobicContact CD2-CE1 4.37Å; L693-F788 HydrophobicContact CG-CD1 4.35Å | ||
| 694 | P | 55.3 | Low | 74.7 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -79.2 | 72.9 | 167.3 | 30.6 | -27.4 | 0 | 0 | 0 | 108.5 | R692 L696 Y697 S698 F789 | R692-P694 WeakPolarHBondContact O-CD 3.5Å; P694-L696 VanDerWaalsContact C-N 3.25Å; P694-L696 PolarHBondContact O-N 2.79Å; P694-L696 VanDerWaalsContact O-N 3.16Å; P694-Y697 HydrophobicContact CB-CD2 3.98Å; P694-Y697 PolarHBondContact O-N 2.97Å; P694-Y697 VanDerWaalsContact O-N 3.07Å; P694-S698 PolarHBondContact O-N 3.13Å; P694-F789 HydrophobicContact CG-CE2 4.25Å | ||
| 695 | M | 53.1 | Low | 74.4 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -47.1 | -46 | -174.4 | -78.4 | -88 | -149.6 | 0 | 0 | 112.6 | Y690 L693 Y697 | Y690-M695 WeakPolarHBondContact OH-CE 3.29Å; L693-M695 HydrophobicContact CB-CG 4.39Å; L693-M695 HydrophobicContact CD2-SD 4.4Å; L693-M695 PolarHBondContact O-N 2.78Å; M695-Y697 VanDerWaalsContact C-N 3.34Å; M695-Y697 PolarHBondContact O-N 3.41Å |
| 696 | L | 54.2 | Low | 73.8 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.356 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -74 | -15.2 | -175 | -87.4 | 133.3 | 0 | 0 | 0 | 115.5 | P694 | P694-L696 VanDerWaalsContact C-N 3.25Å; P694-L696 PolarHBondContact O-N 2.79Å; P694-L696 VanDerWaalsContact O-N 3.16Å |
| 697 | Y | 59.2 | Low | 73.2 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.122 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -106.6 | -44.3 | -171.6 | -66.9 | -69.3 | 0 | 0 | 0 | 115.1 | P694 M695 I751 | P694-Y697 HydrophobicContact CB-CD2 3.98Å; P694-Y697 PolarHBondContact O-N 2.97Å; P694-Y697 VanDerWaalsContact O-N 3.07Å; M695-Y697 VanDerWaalsContact C-N 3.34Å; M695-Y697 PolarHBondContact O-N 3.41Å; Y697-I751 HydrophobicContact CE1-CB 3.8Å; Y697-I751 HydrophobicContact CE1-CD1 4.16Å; Y697-I751 HydrophobicContact CE1-CG1 3.58Å; Y697-I751 HydrophobicContact CE1-CG2 3.35Å; Y697-I751 WeakPolarHBondContact OH-CA 3.35Å; Y697-I751 VanDerWaalsContact OH-CB 3.23Å; Y697-I751 WeakPolarHBondContact OH-CB 3.35Å; Y697-I751 WeakPolarHBondContact OH-CG2 3.43Å; Y697-I751 PolarHBondContact OH-O 2.8Å |
| 698 | S | 66.4 | Low | 72.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -90.4 | -43.5 | -169.5 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | P694 V786 T787 | P694-S698 PolarHBondContact O-N 3.13Å; S698-V786 WeakPolarHBondContact O-CG1 3.37Å; S698-V786 WeakPolarHBondContact O-CG2 3.04Å; S698-T787 WeakPolarHBondContact CB-O 3.31Å; S698-T787 PolarHBondContact OG-N 3.19Å; S698-T787 VanDerWaalsContact OG-N 3.1Å; S698-T787 PolarHBondContact OG-O 3.07Å |
| 699 | C | 81.4 | Confident | 71.9 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 14% | 0.142 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -116.3 | 51.1 | -177 | -73.3 | 0 | 0 | 0 | 0 | 112 | C679 M701 F788 | C679-C699 HydrophobicContact CB-CB 3.61Å; C679-C699 WeakPolarHBondContact CB-SG 3.22Å; C679-C699 WeakPolarHBondContact SG-CA 3.25Å; C679-C699 WeakPolarHBondContact SG-CB 3.31Å; C679-C699 CovalentContact SG-SG 2.03Å; C679-C699 PolarHBondContact SG-SG 2.86Å; C699-M701 PolarHBondContact O-N 2.71Å; C699-F788 WeakPolarHBondContact SG-CZ 3.16Å |
| 700 | F | 80.4 | Confident | 71.4 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68 | -12.3 | -176.4 | 67.9 | -91.8 | 0 | 0 | 0 | 114.4 | D702 D703 F704 L740 P772 L784 | F700-D702 PolarHBondContact O-N 3.42Å; F700-D703 PolarHBondContact O-N 3.15Å; F700-F704 HydrophobicContact CD2-CB 4.27Å; F700-F704 WeakPolarHBondContact O-CB 3.45Å; F700-F704 PolarHBondContact O-N 3.25Å; F700-L740 HydrophobicContact CD2-CD1 3.68Å; F700-L740 HydrophobicContact CE2-CD1 3.41Å; F700-L740 VanDerWaalsContact CE2-CD1 3.41Å; F700-L740 HydrophobicContact CE2-CD2 3.65Å; F700-L740 HydrophobicContact CE2-CG 4.2Å; F700-L740 HydrophobicContact CZ-CD1 4.34Å; F700-L740 HydrophobicContact CZ-CD2 3.93Å; F700-P772 HydrophobicContact CE1-CG 4.31Å; F700-P772 HydrophobicContact CZ-CG 4.19Å; F700-L784 HydrophobicContact CE1-CD1 3.81Å; F700-L784 HydrophobicContact CZ-CD1 4.24Å |
| 701 | M | 84.2 | Confident | 71 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | -173.1 | -81.9 | -62.7 | -166.1 | 0 | 0 | 112.6 | L666 W667 I675 R676 C699 F704 L705 | L666-M701 HydrophobicContact CD1-CE 3.91Å; L666-M701 HydrophobicContact CD2-CE 3.73Å; L666-M701 HydrophobicContact CG-CE 3.78Å; W667-M701 HydrophobicContact CH2-CE 4.25Å; W667-M701 HydrophobicContact CZ3-CE 3.97Å; W667-M701 HydrophobicContact CZ3-SD 4.33Å; I675-M701 HydrophobicContact CB-CG 4.47Å; I675-M701 HydrophobicContact CG2-CG 3.78Å; R676-M701 HydrophobicContact CB-CB 4.25Å; C699-M701 PolarHBondContact O-N 2.71Å; M701-F704 HydrophobicContact SD-CD1 4.49Å; M701-L705 WeakPolarHBondContact O-CB 3.34Å; M701-L705 WeakPolarHBondContact O-CG 3.11Å; M701-L705 PolarHBondContact O-N 3.06Å |
| 702 | D | 80.9 | Confident | 70.7 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 177.6 | -97.7 | -24.1 | 0 | 0 | 0 | 111.9 | R676 F700 F704 L705 S706 | R676-D702 WeakPolarHBondContact CD-OD1 3.37Å; R676-D702 WeakPolarHBondContact CG-OD1 3.42Å; F700-D702 PolarHBondContact O-N 3.42Å; D702-F704 VanDerWaalsContact C-N 3.34Å; D702-F704 PolarHBondContact O-N 2.98Å; D702-L705 PolarHBondContact O-N 3.43Å; D702-S706 VanDerWaalsContact O-CB 3.29Å; D702-S706 WeakPolarHBondContact O-CB 3.45Å; D702-S706 PolarHBondContact O-N 3.09Å; D702-S706 PolarHBondContact O-OG 3.22Å |
| 703 | D | 77.9 | Confident | 70.7 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 177.5 | -72.8 | -27.6 | 0 | 0 | 0 | 111 | F700 S706 I707 | F700-D703 PolarHBondContact O-N 3.15Å; D703-S706 PolarHBondContact O-N 3.18Å; D703-S706 PolarHBondContact O-OG 2.96Å; D703-I707 WeakPolarHBondContact O-CB 3.26Å; D703-I707 WeakPolarHBondContact O-CD1 3.34Å; D703-I707 VanDerWaalsContact O-CG1 3.23Å; D703-I707 WeakPolarHBondContact O-CG1 3.47Å; D703-I707 PolarHBondContact O-N 3.21Å |
| 704 | F | 81.9 | Confident | 70.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 178.3 | 174 | -115.9 | 0 | 0 | 0 | 112 | W667 F700 M701 D702 I707 L708 L736 C739 L740 F743 | W667-F704 HydrophobicContact CH2-CD1 4.36Å; W667-F704 AromaticContact CH2-CE1 3.65Å; W667-F704 HydrophobicContact CH2-CE1 3.65Å; W667-F704 HydrophobicContact CH2-CZ 4.2Å; W667-F704 AromaticContact CZ3-CE1 3.9Å; W667-F704 HydrophobicContact CZ3-CE1 3.9Å; F700-F704 HydrophobicContact CD2-CB 4.27Å; F700-F704 WeakPolarHBondContact O-CB 3.45Å; F700-F704 PolarHBondContact O-N 3.25Å; M701-F704 HydrophobicContact SD-CD1 4.49Å; D702-F704 VanDerWaalsContact C-N 3.34Å; D702-F704 PolarHBondContact O-N 2.98Å; F704-I707 PolarHBondContact O-N 2.87Å; F704-L708 HydrophobicContact CD1-CD1 4Å; F704-L708 HydrophobicContact CD2-CD1 4.17Å; F704-L708 HydrophobicContact CE1-CD1 3.56Å; F704-L708 HydrophobicContact CE2-CD1 3.74Å; F704-L708 HydrophobicContact CE2-CG 4.2Å; F704-L708 HydrophobicContact CG-CD1 4.3Å; F704-L708 HydrophobicContact CZ-CD1 3.44Å; F704-L708 VanDerWaalsContact CZ-CD1 3.44Å; F704-L708 HydrophobicContact CZ-CG 4.36Å; F704-L708 WeakPolarHBondContact O-CG 3.46Å; F704-L708 PolarHBondContact O-N 3.38Å; F704-L736 HydrophobicContact CE1-CD2 4.08Å; F704-L736 HydrophobicContact CZ-CD2 4.43Å; F704-C739 HydrophobicContact CE2-CB 4.17Å; F704-C739 HydrophobicContact CZ-CB 4.06Å; F704-L740 HydrophobicContact CD1-CD1 4.44Å; F704-L740 HydrophobicContact CD2-CD1 3.97Å; F704-L740 HydrophobicContact CE1-CB 4.45Å; F704-L740 HydrophobicContact CE2-CB 4.05Å; F704-L740 HydrophobicContact CE2-CD1 4.14Å; F704-L740 HydrophobicContact CG-CD1 4.12Å; F704-L740 HydrophobicContact CZ-CB 3.87Å; F704-L740 HydrophobicContact CZ-CD1 4.42Å; F704-F743 HydrophobicContact CD2-CB 4.02Å; F704-F743 HydrophobicContact CD2-CD1 4.22Å; F704-F743 HydrophobicContact CD2-CD2 4.32Å; F704-F743 AromaticContact CD2-CG 3.92Å; F704-F743 HydrophobicContact CD2-CG 3.92Å; F704-F743 HydrophobicContact CE2-CB 4.17Å |
| 705 | L | 82 | Confident | 70.5 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.2 | -69.2 | 171.1 | 0 | 0 | 0 | 111.5 | Y672 M701 D702 I707 L708 E709 T728 | Y672-L705 HydrophobicContact CD2-CD1 4.14Å; Y672-L705 HydrophobicContact CD2-CD2 4.28Å; Y672-L705 HydrophobicContact CE2-CD1 4.17Å; Y672-L705 HydrophobicContact CE2-CD2 4.08Å; M701-L705 WeakPolarHBondContact O-CB 3.34Å; M701-L705 WeakPolarHBondContact O-CG 3.11Å; M701-L705 PolarHBondContact O-N 3.06Å; D702-L705 PolarHBondContact O-N 3.43Å; L705-I707 VanDerWaalsContact C-N 3.31Å; L705-I707 PolarHBondContact O-N 3.27Å; L705-L708 WeakPolarHBondContact O-CB 3.16Å; L705-L708 PolarHBondContact O-N 2.81Å; L705-E709 WeakPolarHBondContact O-CG 3.3Å; L705-E709 PolarHBondContact O-N 2.82Å; L705-T728 HydrophobicContact CD2-CG2 4.1Å |
| 706 | S | 78.8 | Confident | 70.5 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 179.4 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | D702 D703 E709 K710 | D702-S706 VanDerWaalsContact O-CB 3.29Å; D702-S706 WeakPolarHBondContact O-CB 3.45Å; D702-S706 PolarHBondContact O-N 3.09Å; D702-S706 PolarHBondContact O-OG 3.22Å; D703-S706 PolarHBondContact O-N 3.18Å; D703-S706 PolarHBondContact O-OG 2.96Å; S706-E709 PolarHBondContact O-N 3.3Å; S706-K710 WeakPolarHBondContact O-CB 3.26Å; S706-K710 WeakPolarHBondContact O-CG 3.39Å; S706-K710 PolarHBondContact O-N 3.07Å |
| 707 | I | 75.7 | Confident | 70.4 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74 | -36.6 | 178.2 | -72.8 | 166.9 | 0 | 0 | 0 | 110.9 | D703 F704 L705 E709 K711 F743 Y747 | D703-I707 WeakPolarHBondContact O-CB 3.26Å; D703-I707 WeakPolarHBondContact O-CD1 3.34Å; D703-I707 VanDerWaalsContact O-CG1 3.23Å; D703-I707 WeakPolarHBondContact O-CG1 3.47Å; D703-I707 PolarHBondContact O-N 3.21Å; F704-I707 PolarHBondContact O-N 2.87Å; L705-I707 VanDerWaalsContact C-N 3.31Å; L705-I707 PolarHBondContact O-N 3.27Å; I707-E709 VanDerWaalsContact C-N 3.32Å; I707-K711 PolarHBondContact O-N 3.44Å; I707-F743 HydrophobicContact CD1-CD2 4.45Å; I707-F743 HydrophobicContact CD1-CE2 3.54Å; I707-F743 HydrophobicContact CD1-CZ 4.29Å; I707-Y747 HydrophobicContact CD1-CE2 4.42Å |
| 708 | L | 76.6 | Confident | 70.2 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 171.6 | -77.7 | 167.7 | 0 | 0 | 0 | 111.5 | F704 L705 C723 T728 L736 C739 | F704-L708 HydrophobicContact CD1-CD1 4Å; F704-L708 HydrophobicContact CD2-CD1 4.17Å; F704-L708 HydrophobicContact CE1-CD1 3.56Å; F704-L708 HydrophobicContact CE2-CD1 3.74Å; F704-L708 HydrophobicContact CE2-CG 4.2Å; F704-L708 HydrophobicContact CG-CD1 4.3Å; F704-L708 HydrophobicContact CZ-CD1 3.44Å; F704-L708 VanDerWaalsContact CZ-CD1 3.44Å; F704-L708 HydrophobicContact CZ-CG 4.36Å; F704-L708 WeakPolarHBondContact O-CG 3.46Å; F704-L708 PolarHBondContact O-N 3.38Å; L705-L708 WeakPolarHBondContact O-CB 3.16Å; L705-L708 PolarHBondContact O-N 2.81Å; L708-C723 HydrophobicContact CD2-CB 4.41Å; L708-C723 VanDerWaalsContact CD2-O 3.25Å; L708-C723 WeakPolarHBondContact CD2-O 3.19Å; L708-T728 HydrophobicContact CB-CG2 4.29Å; L708-L736 HydrophobicContact CD1-CD2 4.44Å; L708-C739 HydrophobicContact CD2-CB 4.33Å |
| 709 | E | 75.6 | Confident | 69.5 | Low | 136 Ų | 136 | 77.9 Ų | 77.9 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -75.4 | -33.9 | 180 | -73.3 | 178.8 | 180 | 0 | 0 | 113.6 | L705 S706 I707 T728 | L705-E709 WeakPolarHBondContact O-CG 3.3Å; L705-E709 PolarHBondContact O-N 2.82Å; S706-E709 PolarHBondContact O-N 3.3Å; I707-E709 VanDerWaalsContact C-N 3.32Å; E709-T728 HydrophobicContact CG-CG2 3.98Å |
| 710 | K | 71.9 | Confident | 68.3 | Low | 173 Ų | 173 | 78.7 Ų | 78.7 | 75% | 0.752 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -79.5 | -21.2 | -177.1 | -85.3 | 178.6 | 176.3 | 170.7 | 0 | 115 | S706 P712 | S706-K710 WeakPolarHBondContact O-CB 3.26Å; S706-K710 WeakPolarHBondContact O-CG 3.39Å; S706-K710 PolarHBondContact O-N 3.07Å; K710-P712 VanDerWaalsContact O-CD 3.25Å; K710-P712 WeakPolarHBondContact O-CD 3.37Å |
| 711 | K | 63.6 | Low | 67.3 | Low | 76 Ų | 76 | 82.1 Ų | 82.1 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -77.5 | 116.2 | -175.3 | -95.6 | -171.8 | 167.2 | -164 | 0 | 111.2 | I707 C713 M716 C724 | I707-K711 PolarHBondContact O-N 3.44Å; K711-C713 PolarHBondContact O-N 3.46Å; K711-M716 HydrophobicContact CD-CE 4.36Å; K711-M716 HydrophobicContact CD-SD 3.97Å; K711-M716 PolarHBondContact NZ-SD 3.42Å; K711-C724 PolarHBondContact O-SG 3.44Å |
| 712 | P | 61 | Low | 66.4 | Low | 95 Ų | 95 | 84.2 Ų | 84.2 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | trans | -69.9 | 130.5 | 171.6 | 28.4 | -31.5 | 0 | 0 | 0 | 109.5 | K710 V714 | K710-P712 VanDerWaalsContact O-CD 3.25Å; K710-P712 WeakPolarHBondContact O-CD 3.37Å; P712-V714 PolarHBondContact O-N 2.84Å | ||
| 713 | C | 64.8 | Low | 66 | Low | 53 Ų | 53 | 81.2 Ų | 81.2 | 36% | 0.358 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 8.7 | -174 | -52.9 | 0 | 0 | 0 | 0 | 115.4 | K711 C724 | K711-C713 PolarHBondContact O-N 3.46Å; C713-C724 WeakPolarHBondContact CA-SG 3.47Å; C713-C724 HydrophobicContact CB-CB 3.75Å; C713-C724 WeakPolarHBondContact CB-SG 3.35Å; C713-C724 PolarHBondContact N-SG 3.38Å; C713-C724 VanDerWaalsContact N-SG 3.37Å; C713-C724 WeakPolarHBondContact SG-CB 3.44Å; C713-C724 PolarHBondContact SG-O 2.91Å; C713-C724 CovalentContact SG-SG 2.04Å; C713-C724 PolarHBondContact SG-SG 2.95Å |
| 714 | V | 57.6 | Low | 65.6 | Low | 133 Ų | 133 | 79.2 Ų | 79.2 | 81% | 0.806 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -16.7 | -164.4 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | P712 | P712-V714 PolarHBondContact O-N 2.84Š|
| 715 | E | 53.7 | Low | 64.8 | Low | 179 Ų | 179 | 84.6 Ų | 84.6 | 84% | 0.836 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -122.6 | 27.3 | -173 | -68.8 | -172 | 161 | 0 | 0 | 115.4 | ||
| 716 | M | 52.7 | Low | 63.7 | Low | 33 Ų | 33 | 92.4 Ų | 92.4 | 16% | 0.163 | 47% | 0.472 | C | S | . | . | trans | -111.2 | 139 | -173.4 | -64.3 | -125.6 | -64.8 | 0 | 0 | 112.7 | K711 E720 C724 | K711-M716 HydrophobicContact CD-CE 4.36Å; K711-M716 HydrophobicContact CD-SD 3.97Å; K711-M716 PolarHBondContact NZ-SD 3.42Å; M716-E720 HydrophobicContact CB-CB 3.72Å; M716-E720 HydrophobicContact CE-CB 3.68Å; M716-E720 WeakPolarHBondContact CE-O 3.2Å; M716-E720 HydrophobicContact CG-CB 4.39Å; M716-E720 HydrophobicContact SD-CB 3.9Å; M716-E720 HydrophobicContact SD-CG 4.41Å; M716-C724 HydrophobicContact CE-CB 4.21Å | ||
| 717 | D | 53 | Low | 62.8 | Low | 125 Ų | 125 | 92.4 Ų | 92.4 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | trans | -51.2 | 151.8 | 173.7 | -81.4 | -37.6 | 0 | 0 | 0 | 110.9 | E719 E720 T721 | D717-E719 PolarHBondContact O-N 2.8Å; D717-E720 WeakPolarHBondContact O-CA 3.49Å; D717-E720 PolarHBondContact O-N 3.36Å; D717-T721 PolarHBondContact O-N 3.17Å | ||
| 718 | K | 54.3 | Low | 62.2 | Low | 199 Ų | 199 | 91.1 Ų | 91.1 | 87% | 0.865 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -30.7 | -176.4 | -77.2 | -177.7 | 178 | 176.8 | 0 | 113.9 | T721 | K718-T721 PolarHBondContact O-OG1 2.99Š|
| 719 | E | 52 | Low | 61.6 | Low | 139 Ų | 139 | 94.6 Ų | 94.6 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -31.4 | 175.8 | -65.9 | -175.5 | 168.9 | 0 | 0 | 113.8 | D717 S722 | D717-E719 PolarHBondContact O-N 2.8Å; E719-S722 PolarHBondContact O-OG 2.64Å |
| 720 | E | 55.3 | Low | 61.1 | Low | 38 Ų | 38 | 90.6 Ų | 90.6 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -78.9 | -18.4 | -180 | -81.7 | -166.1 | 149.3 | 0 | 0 | 113.1 | M716 D717 S722 C723 | M716-E720 HydrophobicContact CB-CB 3.72Å; M716-E720 HydrophobicContact CE-CB 3.68Å; M716-E720 WeakPolarHBondContact CE-O 3.2Å; M716-E720 HydrophobicContact CG-CB 4.39Å; M716-E720 HydrophobicContact SD-CB 3.9Å; M716-E720 HydrophobicContact SD-CG 4.41Å; D717-E720 WeakPolarHBondContact O-CA 3.49Å; D717-E720 PolarHBondContact O-N 3.36Å; E720-S722 PolarHBondContact O-N 3.14Å; E720-S722 VanDerWaalsContact O-N 3.11Å; E720-C723 PolarHBondContact O-N 2.87Å; E720-C723 VanDerWaalsContact O-N 3.15Å |
| 721 | T | 59.7 | Low | 61 | Low | 75 Ų | 75 | 83 Ų | 83 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.6 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 114 | D717 K718 C723 C724 | D717-T721 PolarHBondContact O-N 3.17Å; K718-T721 PolarHBondContact O-OG1 2.99Å; T721-C723 PolarHBondContact O-N 3.31Å; T721-C724 PolarHBondContact O-N 3.37Å |
| 722 | S | 65.5 | Low | 61.5 | Low | 48 Ų | 48 | 85.9 Ų | 85.9 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -62.5 | -26.1 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | E719 E720 | E719-S722 PolarHBondContact O-OG 2.64Å; E720-S722 PolarHBondContact O-N 3.14Å; E720-S722 VanDerWaalsContact O-N 3.11Å |
| 723 | C | 71.8 | Confident | 62.3 | Low | 19 Ų | 19 | 83.2 Ų | 83.2 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -93.3 | 4.9 | -179.3 | -69.1 | 0 | 0 | 0 | 0 | 114.3 | L708 E720 T721 C739 | L708-C723 HydrophobicContact CD2-CB 4.41Å; L708-C723 VanDerWaalsContact CD2-O 3.25Å; L708-C723 WeakPolarHBondContact CD2-O 3.19Å; E720-C723 PolarHBondContact O-N 2.87Å; E720-C723 VanDerWaalsContact O-N 3.15Å; T721-C723 PolarHBondContact O-N 3.31Å; C723-C739 WeakPolarHBondContact CA-SG 3.26Å; C723-C739 HydrophobicContact CB-CB 3.93Å; C723-C739 WeakPolarHBondContact CB-SG 3.38Å; C723-C739 WeakPolarHBondContact SG-CA 3.2Å; C723-C739 WeakPolarHBondContact SG-CB 3.38Å; C723-C739 CovalentContact SG-SG 2.03Å; C723-C739 PolarHBondContact SG-SG 2.8Å |
| 724 | C | 69.3 | Low | 63 | Low | 15 Ų | 15 | 87 Ų | 87 | 10% | 0.101 | 47% | 0.468 | C | S | . | . | trans | -122.4 | 106.1 | -175.4 | -160.1 | 0 | 0 | 0 | 0 | 111.2 | K711 C713 M716 T721 | K711-C724 PolarHBondContact O-SG 3.44Å; C713-C724 WeakPolarHBondContact CA-SG 3.47Å; C713-C724 HydrophobicContact CB-CB 3.75Å; C713-C724 WeakPolarHBondContact CB-SG 3.35Å; C713-C724 PolarHBondContact N-SG 3.38Å; C713-C724 VanDerWaalsContact N-SG 3.37Å; C713-C724 WeakPolarHBondContact SG-CB 3.44Å; C713-C724 PolarHBondContact SG-O 2.91Å; C713-C724 CovalentContact SG-SG 2.04Å; C713-C724 PolarHBondContact SG-SG 2.95Å; M716-C724 HydrophobicContact CE-CB 4.21Å; T721-C724 PolarHBondContact O-N 3.37Å | ||
| 725 | R | 65.8 | Low | 64 | Low | 116 Ų | 116 | 83 Ų | 83 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | trans | -134.9 | 151.7 | 167 | -80.1 | -170.4 | 178.1 | 130.8 | 13.3 | 109.2 | A727 S730 L731 E735 | R725-A727 PolarHBondContact O-N 3.11Å; R725-S730 WeakPolarHBondContact CB-OG 2.97Å; R725-S730 WeakPolarHBondContact CD-OG 3.26Å; R725-S730 PolarHBondContact NH1-O 3.35Å; R725-L731 HydrophobicContact CB-CD1 4.1Å; R725-E735 IonicContact CZ-OE2 3.8Å; R725-E735 IonicContact NH1-OE1 3.17Å; R725-E735 IonicContact NH1-OE2 2.92Å; R725-E735 PolarHBondContact NH1-OE2 3.44Å; R725-E735 IonicContact NH2-OE1 2.77Å | ||
| 726 | N | 58.7 | Low | 65.3 | Low | 173 Ų | 173 | 74.8 Ų | 74.8 | 93% | 0.925 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -60.2 | -14.3 | -178.3 | -73.5 | -5.4 | 0 | 0 | 0 | 114.9 | ||
| 727 | A | 61.2 | Low | 66.8 | Low | 44 Ų | 44 | 74.3 Ų | 74.3 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | trans | -143.3 | 130.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R725 S729 S730 | R725-A727 PolarHBondContact O-N 3.11Å; A727-S729 PolarHBondContact O-N 3.06Å; A727-S730 WeakPolarHBondContact O-CB 3.42Å; A727-S730 PolarHBondContact O-N 3.32Å; A727-S730 PolarHBondContact O-OG 3.41Å | ||
| 728 | T | 61.8 | Low | 68.2 | Low | 24 Ų | 24 | 72.8 Ų | 72.8 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -58.5 | -31.8 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | L705 L708 E709 S730 L731 | L705-T728 HydrophobicContact CD2-CG2 4.1Å; L708-T728 HydrophobicContact CB-CG2 4.29Å; E709-T728 HydrophobicContact CG-CG2 3.98Å; T728-S730 PolarHBondContact O-N 3.06Å; T728-S730 VanDerWaalsContact O-N 3.14Å; T728-L731 PolarHBondContact O-N 2.79Å |
| 729 | S | 64.6 | Low | 69.5 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -64.5 | -12.8 | 175.7 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | A727 | A727-S729 PolarHBondContact O-N 3.06Š|
| 730 | S | 65.8 | Low | 71.1 | Confident | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -93.4 | -6.5 | 179.6 | 70.5 | 0 | 0 | 0 | 0 | 114 | R725 A727 T728 | R725-S730 WeakPolarHBondContact CB-OG 2.97Å; R725-S730 WeakPolarHBondContact CD-OG 3.26Å; R725-S730 PolarHBondContact NH1-O 3.35Å; A727-S730 WeakPolarHBondContact O-CB 3.42Å; A727-S730 PolarHBondContact O-N 3.32Å; A727-S730 PolarHBondContact O-OG 3.41Å; T728-S730 PolarHBondContact O-N 3.06Å; T728-S730 VanDerWaalsContact O-N 3.14Å |
| 731 | L | 68.7 | Low | 72.4 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -84.7 | 136 | 177.5 | -77.5 | 93.5 | 0 | 0 | 0 | 111.1 | R725 T728 E735 L736 | R725-L731 HydrophobicContact CB-CD1 4.1Å; T728-L731 PolarHBondContact O-N 2.79Å; L731-E735 WeakPolarHBondContact CA-OE2 3.34Å; L731-E735 HydrophobicContact CB-CB 4.38Å; L731-E735 HydrophobicContact CD2-CB 4.1Å; L731-L736 HydrophobicContact CB-CD1 4.35Å; L731-L736 HydrophobicContact CB-CG 3.99Å |
| 732 | Q | 75.2 | Confident | 73.2 | Confident | 135 Ų | 135 | 58.5 Ų | 58.5 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | trans | -72.2 | 154.6 | 171.9 | -67.7 | -175.6 | -2.7 | 0 | 0 | 110.8 | N734 E735 L736 | Q732-N734 PolarHBondContact O-N 2.77Å; Q732-N734 VanDerWaalsContact O-N 3.12Å; Q732-E735 HydrophobicContact CB-CG 4.26Å; Q732-E735 PolarHBondContact N-OE2 2.99Å; Q732-E735 WeakPolarHBondContact O-CA 3.15Å; Q732-E735 WeakPolarHBondContact O-CB 3.17Å; Q732-E735 PolarHBondContact O-N 3.33Å; Q732-L736 PolarHBondContact O-N 3.39Å | ||
| 733 | A | 77.8 | Confident | 73.8 | Confident | 39 Ų | 39 | 57 Ų | 57 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -51.1 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W667 L736 D737 | W667-A733 HydrophobicContact CB-CB 3.69Å; A733-L736 PolarHBondContact O-N 3.35Å; A733-D737 PolarHBondContact O-N 3.34Å |
| 734 | N | 77.6 | Confident | 74.1 | Confident | 133 Ų | 133 | 56.8 Ų | 56.8 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.1 | -33.2 | 177.3 | -69.6 | -18.4 | 0 | 0 | 0 | 113.1 | Q732 F738 | Q732-N734 PolarHBondContact O-N 2.77Å; Q732-N734 VanDerWaalsContact O-N 3.12Å; N734-F738 WeakPolarHBondContact O-CB 3.37Å; N734-F738 PolarHBondContact O-N 3.25Å; N734-F738 VanDerWaalsContact O-N 3.08Å |
| 735 | E | 79.5 | Confident | 74.4 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 175.8 | -62.1 | 175.5 | 152 | 0 | 0 | 109.3 | R725 L731 Q732 D737 F738 C739 | R725-E735 IonicContact CZ-OE2 3.8Å; R725-E735 IonicContact NH1-OE1 3.17Å; R725-E735 IonicContact NH1-OE2 2.92Å; R725-E735 PolarHBondContact NH1-OE2 3.44Å; R725-E735 IonicContact NH2-OE1 2.77Å; L731-E735 WeakPolarHBondContact CA-OE2 3.34Å; L731-E735 HydrophobicContact CB-CB 4.38Å; L731-E735 HydrophobicContact CD2-CB 4.1Å; Q732-E735 HydrophobicContact CB-CG 4.26Å; Q732-E735 PolarHBondContact N-OE2 2.99Å; Q732-E735 WeakPolarHBondContact O-CA 3.15Å; Q732-E735 WeakPolarHBondContact O-CB 3.17Å; Q732-E735 PolarHBondContact O-N 3.33Å; E735-D737 PolarHBondContact O-N 3.3Å; E735-F738 WeakPolarHBondContact O-CB 3.19Å; E735-F738 PolarHBondContact O-N 2.64Å; E735-C739 PolarHBondContact O-N 3.04Å; E735-C739 PolarHBondContact O-SG 2.97Å |
| 736 | L | 82 | Confident | 74.7 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.3 | -83.8 | 157.7 | 0 | 0 | 0 | 112.4 | W667 F704 L708 L731 Q732 A733 F738 C739 L740 | W667-L736 HydrophobicContact CD2-CB 3.87Å; W667-L736 HydrophobicContact CE3-CB 3.76Å; W667-L736 HydrophobicContact CE3-CD1 4.23Å; W667-L736 HydrophobicContact CE3-CD2 4.34Å; W667-L736 HydrophobicContact CE3-CG 4.33Å; W667-L736 HydrophobicContact CG-CB 4.34Å; W667-L736 HydrophobicContact CH2-CB 4.45Å; W667-L736 HydrophobicContact CZ3-CB 4.09Å; W667-L736 HydrophobicContact CZ3-CD2 4.13Å; F704-L736 HydrophobicContact CE1-CD2 4.08Å; F704-L736 HydrophobicContact CZ-CD2 4.43Å; L708-L736 HydrophobicContact CD1-CD2 4.44Å; L731-L736 HydrophobicContact CB-CD1 4.35Å; L731-L736 HydrophobicContact CB-CG 3.99Å; Q732-L736 PolarHBondContact O-N 3.39Å; A733-L736 PolarHBondContact O-N 3.35Å; L736-F738 VanDerWaalsContact C-N 3.34Å; L736-F738 PolarHBondContact O-N 3.44Å; L736-C739 PolarHBondContact O-N 3.28Å; L736-L740 PolarHBondContact O-N 2.7Å |
| 737 | D | 83.1 | Confident | 75.2 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.3 | -165.2 | 63.7 | 0 | 0 | 0 | 112.1 | W667 A733 E735 L740 K741 | W667-D737 PolarHBondContact NE1-OD1 3.31Å; A733-D737 PolarHBondContact O-N 3.34Å; E735-D737 PolarHBondContact O-N 3.3Å; D737-L740 PolarHBondContact O-N 3.41Å; D737-K741 WeakPolarHBondContact O-CG 3.48Å; D737-K741 PolarHBondContact O-N 2.97Å; D737-K741 VanDerWaalsContact O-N 3.11Å; D737-K741 VanDerWaalsContact OD2-CE 3.23Å; D737-K741 WeakPolarHBondContact OD2-CE 3.1Å; D737-K741 IonicContact OD2-NZ 2.67Å; D737-K741 PolarHBondContact OD2-NZ 2.73Å |
| 738 | F | 82.6 | Confident | 75.5 | Confident | 93 Ų | 93 | 54 Ų | 54 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.1 | 179.2 | -100.9 | 0 | 0 | 0 | 111.8 | N734 E735 L736 K741 R742 | N734-F738 WeakPolarHBondContact O-CB 3.37Å; N734-F738 PolarHBondContact O-N 3.25Å; N734-F738 VanDerWaalsContact O-N 3.08Å; E735-F738 WeakPolarHBondContact O-CB 3.19Å; E735-F738 PolarHBondContact O-N 2.64Å; L736-F738 VanDerWaalsContact C-N 3.34Å; L736-F738 PolarHBondContact O-N 3.44Å; F738-K741 PolarHBondContact O-N 3.27Å; F738-R742 PolarHBondContact O-N 3.45Å; F738-R742 VanDerWaalsContact O-N 3.13Å |
| 739 | C | 82.6 | Confident | 75.5 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | F704 L708 C723 E735 L736 R742 F743 | F704-C739 HydrophobicContact CE2-CB 4.17Å; F704-C739 HydrophobicContact CZ-CB 4.06Å; L708-C739 HydrophobicContact CD2-CB 4.33Å; C723-C739 WeakPolarHBondContact CA-SG 3.26Å; C723-C739 HydrophobicContact CB-CB 3.93Å; C723-C739 WeakPolarHBondContact CB-SG 3.38Å; C723-C739 WeakPolarHBondContact SG-CA 3.2Å; C723-C739 WeakPolarHBondContact SG-CB 3.38Å; C723-C739 CovalentContact SG-SG 2.03Å; C723-C739 PolarHBondContact SG-SG 2.8Å; E735-C739 PolarHBondContact O-N 3.04Å; E735-C739 PolarHBondContact O-SG 2.97Å; L736-C739 PolarHBondContact O-N 3.28Å; C739-R742 PolarHBondContact O-N 2.78Å; C739-F743 WeakPolarHBondContact O-CB 3.08Å; C739-F743 PolarHBondContact O-N 3.14Å |
| 740 | L | 85.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.6 | -178.2 | 60.7 | 0 | 0 | 0 | 111.5 | L666 W667 F700 F704 L736 D737 R742 F743 L744 P772 Y774 | L666-L740 HydrophobicContact CD2-CD2 4.42Å; W667-L740 HydrophobicContact CH2-CB 3.82Å; W667-L740 HydrophobicContact CH2-CD2 3.61Å; W667-L740 HydrophobicContact CH2-CG 4.2Å; W667-L740 HydrophobicContact CZ2-CB 3.61Å; W667-L740 HydrophobicContact CZ2-CD2 3.35Å; W667-L740 HydrophobicContact CZ2-CG 4.07Å; F700-L740 HydrophobicContact CD2-CD1 3.68Å; F700-L740 HydrophobicContact CE2-CD1 3.41Å; F700-L740 VanDerWaalsContact CE2-CD1 3.41Å; F700-L740 HydrophobicContact CE2-CD2 3.65Å; F700-L740 HydrophobicContact CE2-CG 4.2Å; F700-L740 HydrophobicContact CZ-CD1 4.34Å; F700-L740 HydrophobicContact CZ-CD2 3.93Å; F704-L740 HydrophobicContact CD1-CD1 4.44Å; F704-L740 HydrophobicContact CD2-CD1 3.97Å; F704-L740 HydrophobicContact CE1-CB 4.45Å; F704-L740 HydrophobicContact CE2-CB 4.05Å; F704-L740 HydrophobicContact CE2-CD1 4.14Å; F704-L740 HydrophobicContact CG-CD1 4.12Å; F704-L740 HydrophobicContact CZ-CB 3.87Å; F704-L740 HydrophobicContact CZ-CD1 4.42Å; L736-L740 PolarHBondContact O-N 2.7Å; D737-L740 PolarHBondContact O-N 3.41Å; L740-R742 VanDerWaalsContact C-N 3.34Å; L740-R742 PolarHBondContact O-N 3.26Å; L740-F743 HydrophobicContact CD1-CD1 4.14Å; L740-F743 WeakPolarHBondContact O-CB 3.36Å; L740-F743 PolarHBondContact O-N 3.45Å; L740-L744 HydrophobicContact CD1-CD1 4.29Å; L740-L744 HydrophobicContact CD1-CG 4.3Å; L740-L744 HydrophobicContact CG-CD1 4.03Å; L740-L744 HydrophobicContact CG-CG 4.49Å; L740-L744 VanDerWaalsContact O-CG 3.3Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 2.99Å; L740-P772 HydrophobicContact CD2-CB 4.48Å; L740-P772 HydrophobicContact CD2-CG 4.06Å; L740-Y774 WeakPolarHBondContact CD2-OH 3.35Å |
| 741 | K | 81.6 | Confident | 75.2 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.9 | -49 | 175.4 | -72.3 | 166.7 | 178.4 | 157.7 | 0 | 111.3 | P74 D737 F738 F743 L744 T745 Y774 G779 | P74-K741 HydrophobicContact CG-CB 4.41Å; P74-K741 HydrophobicContact CG-CD 3.9Å; P74-K741 HydrophobicContact CG-CG 3.76Å; D737-K741 WeakPolarHBondContact O-CG 3.48Å; D737-K741 PolarHBondContact O-N 2.97Å; D737-K741 VanDerWaalsContact O-N 3.11Å; D737-K741 VanDerWaalsContact OD2-CE 3.23Å; D737-K741 WeakPolarHBondContact OD2-CE 3.1Å; D737-K741 IonicContact OD2-NZ 2.67Å; D737-K741 PolarHBondContact OD2-NZ 2.73Å; F738-K741 PolarHBondContact O-N 3.27Å; K741-F743 VanDerWaalsContact C-N 3.34Å; K741-F743 PolarHBondContact O-N 3.36Å; K741-L744 PolarHBondContact O-N 3.22Å; K741-T745 PolarHBondContact O-N 2.91Å; K741-T745 PolarHBondContact O-OG1 2.97Å; K741-Y774 HydrophobicContact CD-CE1 4.26Å; K741-Y774 HydrophobicContact CG-CD1 4.48Å; K741-Y774 HydrophobicContact CG-CE1 3.94Å; K741-Y774 HydrophobicContact CG-CE2 4.14Å; K741-G779 WeakPolarHBondContact CE-O 3.41Å; K741-G779 PolarHBondContact NZ-O 3.31Å |
| 742 | R | 78 | Confident | 74.8 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.6 | -166 | 84.8 | 171.5 | -176.3 | -2.9 | 111.7 | F738 C739 L740 T745 K746 | F738-R742 PolarHBondContact O-N 3.45Å; F738-R742 VanDerWaalsContact O-N 3.13Å; C739-R742 PolarHBondContact O-N 2.78Å; L740-R742 VanDerWaalsContact C-N 3.34Å; L740-R742 PolarHBondContact O-N 3.26Å; R742-T745 PolarHBondContact O-N 3.42Å; R742-K746 VanDerWaalsContact O-CB 3.31Å; R742-K746 WeakPolarHBondContact O-CB 3.45Å; R742-K746 PolarHBondContact O-N 3.13Å |
| 743 | F | 78.1 | Confident | 74 | Confident | 17 Ų | 17 | 62 Ų | 62 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.9 | -52.5 | 174.6 | 173.1 | -99.1 | 0 | 0 | 0 | 110.5 | F704 I707 C739 L740 K741 T745 K746 Y747 | F704-F743 HydrophobicContact CD2-CB 4.02Å; F704-F743 HydrophobicContact CD2-CD1 4.22Å; F704-F743 HydrophobicContact CD2-CD2 4.32Å; F704-F743 AromaticContact CD2-CG 3.92Å; F704-F743 HydrophobicContact CD2-CG 3.92Å; F704-F743 HydrophobicContact CE2-CB 4.17Å; I707-F743 HydrophobicContact CD1-CD2 4.45Å; I707-F743 HydrophobicContact CD1-CE2 3.54Å; I707-F743 HydrophobicContact CD1-CZ 4.29Å; C739-F743 WeakPolarHBondContact O-CB 3.08Å; C739-F743 PolarHBondContact O-N 3.14Å; L740-F743 HydrophobicContact CD1-CD1 4.14Å; L740-F743 WeakPolarHBondContact O-CB 3.36Å; L740-F743 PolarHBondContact O-N 3.45Å; K741-F743 VanDerWaalsContact C-N 3.34Å; K741-F743 PolarHBondContact O-N 3.36Å; F743-T745 PolarHBondContact O-N 2.87Å; F743-K746 PolarHBondContact O-N 3.08Å; F743-Y747 AromaticContact CD2-CD2 3.47Å; F743-Y747 HydrophobicContact CD2-CD2 3.47Å; F743-Y747 VanDerWaalsContact CD2-CD2 3.47Å; F743-Y747 AromaticContact CD2-CE2 3.42Å; F743-Y747 HydrophobicContact CD2-CE2 3.42Å; F743-Y747 VanDerWaalsContact CD2-CE2 3.42Å; F743-Y747 AromaticContact CE2-CD2 3.34Å; F743-Y747 HydrophobicContact CE2-CD2 3.34Å; F743-Y747 AromaticContact CE2-CE2 3.28Å; F743-Y747 HydrophobicContact CE2-CE2 3.28Å; F743-Y747 HydrophobicContact CE2-CG 4.39Å; F743-Y747 HydrophobicContact CG-CD2 4.12Å; F743-Y747 HydrophobicContact CG-CE2 4.45Å; F743-Y747 AromaticContact CZ-CD2 3.95Å; F743-Y747 HydrophobicContact CZ-CD2 3.95Å; F743-Y747 HydrophobicContact CZ-CE2 4.27Å; F743-Y747 VanDerWaalsContact O-CD2 3.23Å; F743-Y747 WeakPolarHBondContact O-CD2 3.38Å; F743-Y747 PolarHBondContact O-N 2.87Å |
| 744 | L | 77.5 | Confident | 72.9 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 179.5 | -65.8 | 165.1 | 0 | 0 | 0 | 112 | F73 L740 K741 H748 P772 Y774 | F73-L744 HydrophobicContact CD1-CB 4.18Å; F73-L744 HydrophobicContact CE1-CB 4.1Å; F73-L744 VanDerWaalsContact CE1-O 3.26Å; F73-L744 WeakPolarHBondContact CE1-O 3.39Å; L740-L744 HydrophobicContact CD1-CD1 4.29Å; L740-L744 HydrophobicContact CD1-CG 4.3Å; L740-L744 HydrophobicContact CG-CD1 4.03Å; L740-L744 HydrophobicContact CG-CG 4.49Å; L740-L744 VanDerWaalsContact O-CG 3.3Å; L740-L744 WeakPolarHBondContact O-CG 3.4Å; L740-L744 PolarHBondContact O-N 2.99Å; K741-L744 PolarHBondContact O-N 3.22Å; L744-H748 PolarHBondContact O-N 3Å; L744-H748 VanDerWaalsContact O-N 3.11Å; L744-P772 HydrophobicContact CD1-CG 3.43Å; L744-P772 VanDerWaalsContact CD1-CG 3.43Å; L744-Y774 HydrophobicContact CD1-CE2 4.11Å |
| 745 | T | 74.8 | Confident | 71.6 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 178.3 | -45.4 | 0 | 0 | 0 | 0 | 112 | K741 R742 F743 H748 | K741-T745 PolarHBondContact O-N 2.91Å; K741-T745 PolarHBondContact O-OG1 2.97Å; R742-T745 PolarHBondContact O-N 3.42Å; F743-T745 PolarHBondContact O-N 2.87Å; T745-H748 VanDerWaalsContact O-CB 3.23Å; T745-H748 WeakPolarHBondContact O-CB 3.07Å; T745-H748 PolarHBondContact O-N 3.46Å |
| 746 | K | 73 | Confident | 70.3 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -178 | -175.6 | 170.4 | -173.1 | 167.3 | 0 | 112.1 | R742 F743 H748 | R742-K746 VanDerWaalsContact O-CB 3.31Å; R742-K746 WeakPolarHBondContact O-CB 3.45Å; R742-K746 PolarHBondContact O-N 3.13Å; F743-K746 PolarHBondContact O-N 3.08Å; K746-H748 VanDerWaalsContact C-N 3.28Å; K746-H748 PolarHBondContact O-N 3.42Å |
| 747 | Y | 68.2 | Low | 68.8 | Low | 59 Ų | 59 | 63.2 Ų | 63.2 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.3 | 179.9 | -69.7 | -73.1 | 0 | 0 | 0 | 113 | I707 F743 T749 Q750 I751 | I707-Y747 HydrophobicContact CD1-CE2 4.42Å; F743-Y747 AromaticContact CD2-CD2 3.47Å; F743-Y747 HydrophobicContact CD2-CD2 3.47Å; F743-Y747 VanDerWaalsContact CD2-CD2 3.47Å; F743-Y747 AromaticContact CD2-CE2 3.42Å; F743-Y747 HydrophobicContact CD2-CE2 3.42Å; F743-Y747 VanDerWaalsContact CD2-CE2 3.42Å; F743-Y747 AromaticContact CE2-CD2 3.34Å; F743-Y747 HydrophobicContact CE2-CD2 3.34Å; F743-Y747 AromaticContact CE2-CE2 3.28Å; F743-Y747 HydrophobicContact CE2-CE2 3.28Å; F743-Y747 HydrophobicContact CE2-CG 4.39Å; F743-Y747 HydrophobicContact CG-CD2 4.12Å; F743-Y747 HydrophobicContact CG-CE2 4.45Å; F743-Y747 AromaticContact CZ-CD2 3.95Å; F743-Y747 HydrophobicContact CZ-CD2 3.95Å; F743-Y747 HydrophobicContact CZ-CE2 4.27Å; F743-Y747 VanDerWaalsContact O-CD2 3.23Å; F743-Y747 WeakPolarHBondContact O-CD2 3.38Å; F743-Y747 PolarHBondContact O-N 2.87Å; Y747-T749 VanDerWaalsContact C-N 3.31Å; Y747-T749 PolarHBondContact O-N 3.28Å; Y747-Q750 VanDerWaalsContact CD1-OE1 3.26Å; Y747-Q750 PolarHBondContact O-N 3.33Å; Y747-I751 WeakPolarHBondContact O-CB 2.92Å; Y747-I751 WeakPolarHBondContact O-CD1 3.31Å; Y747-I751 WeakPolarHBondContact O-CG1 3.18Å; Y747-I751 PolarHBondContact O-N 3.09Å |
| 748 | H | 67.5 | Low | 67.2 | Low | 54 Ų | 54 | 69.3 Ų | 69.3 | 25% | 0.25 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.6 | -41 | -174.5 | -177 | 16.8 | 0 | 0 | 0 | 113.9 | F73 L744 T745 K746 I751 Q752 | F73-H748 HydrophobicContact CD1-CB 4.32Å; F73-H748 AromaticContact CD2-CE1 3.9Å; F73-H748 AromaticContact CD2-NE2 3.84Å; F73-H748 HydrophobicContact CE1-CB 3.88Å; F73-H748 AromaticContact CE1-CG 3.82Å; F73-H748 AromaticContact CE1-ND1 3.89Å; F73-H748 AromaticContact CE2-CE1 3.26Å; F73-H748 WeakPolarHBondContact CE2-CE1 3.5Å; F73-H748 AromaticContact CE2-CG 3.83Å; F73-H748 AromaticContact CE2-ND1 3.36Å; F73-H748 WeakPolarHBondContact CE2-ND1 3.33Å; F73-H748 AromaticContact CE2-NE2 3.68Å; F73-H748 HydrophobicContact CZ-CB 4.12Å; F73-H748 AromaticContact CZ-CE1 3.65Å; F73-H748 AromaticContact CZ-CG 3.61Å; F73-H748 AromaticContact CZ-ND1 3.2Å; F73-H748 WeakPolarHBondContact CZ-ND1 3.31Å; L744-H748 PolarHBondContact O-N 3Å; L744-H748 VanDerWaalsContact O-N 3.11Å; T745-H748 VanDerWaalsContact O-CB 3.23Å; T745-H748 WeakPolarHBondContact O-CB 3.07Å; T745-H748 PolarHBondContact O-N 3.46Å; K746-H748 VanDerWaalsContact C-N 3.28Å; K746-H748 PolarHBondContact O-N 3.42Å; H748-I751 VanDerWaalsContact O-CB 3.24Å; H748-I751 WeakPolarHBondContact O-CB 3.45Å; H748-I751 WeakPolarHBondContact O-CG2 3.42Å; H748-I751 PolarHBondContact O-N 3.08Å; H748-Q752 VanDerWaalsContact CE1-CD 3.45Å; H748-Q752 PolarHBondContact CE1-NE2 2.85Å; H748-Q752 PolarHBondContact O-N 2.83Å |
| 749 | T | 62.6 | Low | 65.5 | Low | 94 Ų | 94 | 68.4 Ų | 68.4 | 58% | 0.577 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.7 | -48.3 | -178.7 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | Y747 I751 Q752 E753 | Y747-T749 VanDerWaalsContact C-N 3.31Å; Y747-T749 PolarHBondContact O-N 3.28Å; T749-I751 PolarHBondContact O-N 2.87Å; T749-Q752 PolarHBondContact O-N 2.82Å; T749-Q752 VanDerWaalsContact O-N 3.12Å; T749-E753 PolarHBondContact O-N 3.46Å |
| 750 | Q | 64.4 | Low | 63.6 | Low | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.3 | -35.6 | 171.9 | -84.3 | -174.3 | -15 | 0 | 0 | 111.3 | Y747 F754 | Y747-Q750 VanDerWaalsContact CD1-OE1 3.26Å; Y747-Q750 PolarHBondContact O-N 3.33Å; Q750-F754 VanDerWaalsContact O-CB 3.29Å; Q750-F754 WeakPolarHBondContact O-CB 3.36Å; Q750-F754 PolarHBondContact O-N 3.24Å |
| 751 | I | 59.2 | Low | 61.5 | Low | 16 Ų | 16 | 71.9 Ų | 71.9 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -61 | 173.1 | -82.8 | 166.6 | 0 | 0 | 0 | 109.7 | Y697 Y747 H748 T749 E753 F754 A755 | Y697-I751 HydrophobicContact CE1-CB 3.8Å; Y697-I751 HydrophobicContact CE1-CD1 4.16Å; Y697-I751 HydrophobicContact CE1-CG1 3.58Å; Y697-I751 HydrophobicContact CE1-CG2 3.35Å; Y697-I751 WeakPolarHBondContact OH-CA 3.35Å; Y697-I751 VanDerWaalsContact OH-CB 3.23Å; Y697-I751 WeakPolarHBondContact OH-CB 3.35Å; Y697-I751 WeakPolarHBondContact OH-CG2 3.43Å; Y697-I751 PolarHBondContact OH-O 2.8Å; Y747-I751 WeakPolarHBondContact O-CB 2.92Å; Y747-I751 WeakPolarHBondContact O-CD1 3.31Å; Y747-I751 WeakPolarHBondContact O-CG1 3.18Å; Y747-I751 PolarHBondContact O-N 3.09Å; H748-I751 VanDerWaalsContact O-CB 3.24Å; H748-I751 WeakPolarHBondContact O-CB 3.45Å; H748-I751 WeakPolarHBondContact O-CG2 3.42Å; H748-I751 PolarHBondContact O-N 3.08Å; T749-I751 PolarHBondContact O-N 2.87Å; I751-E753 VanDerWaalsContact C-N 3.25Å; I751-E753 PolarHBondContact O-N 2.83Å; I751-E753 VanDerWaalsContact O-N 3.16Å; I751-F754 PolarHBondContact O-N 3.27Å; I751-F754 VanDerWaalsContact O-N 3.1Å; I751-A755 PolarHBondContact O-N 3.38Å |
| 752 | Q | 60.2 | Low | 59.4 | Low | 117 Ų | 117 | 71.8 Ų | 71.8 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.9 | -39.5 | -177.9 | -80 | -175.8 | -32.8 | 0 | 0 | 113.1 | H748 T749 A756 | H748-Q752 VanDerWaalsContact CE1-CD 3.45Å; H748-Q752 PolarHBondContact CE1-NE2 2.85Å; H748-Q752 PolarHBondContact O-N 2.83Å; T749-Q752 PolarHBondContact O-N 2.82Å; T749-Q752 VanDerWaalsContact O-N 3.12Å; Q752-A756 WeakPolarHBondContact O-CB 3.45Å; Q752-A756 PolarHBondContact O-N 3.24Å |
| 753 | E | 58.2 | Low | 57.3 | Low | 141 Ų | 141 | 68.5 Ų | 68.5 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 177.2 | -74.1 | -179.6 | 163.4 | 0 | 0 | 112.7 | T749 I751 A756 A757 | T749-E753 PolarHBondContact O-N 3.46Å; I751-E753 VanDerWaalsContact C-N 3.25Å; I751-E753 PolarHBondContact O-N 2.83Å; I751-E753 VanDerWaalsContact O-N 3.16Å; E753-A756 PolarHBondContact O-N 2.93Å; E753-A757 VanDerWaalsContact O-CB 3.25Å; E753-A757 WeakPolarHBondContact O-CB 2.94Å; E753-A757 PolarHBondContact O-N 3.39Å |
| 754 | F | 54.4 | Low | 55.5 | Low | 101 Ų | 101 | 70.6 Ų | 70.6 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | -180 | -147.1 | -87.1 | 0 | 0 | 0 | 112.1 | Q750 I751 A757 R758 | Q750-F754 VanDerWaalsContact O-CB 3.29Å; Q750-F754 WeakPolarHBondContact O-CB 3.36Å; Q750-F754 PolarHBondContact O-N 3.24Å; I751-F754 PolarHBondContact O-N 3.27Å; I751-F754 VanDerWaalsContact O-N 3.1Å; F754-A757 PolarHBondContact O-N 2.83Å; F754-R758 PolarHBondContact O-N 3.29Å |
| 755 | A | 50.3 | Low | 53.7 | Low | 16 Ų | 16 | 76.1 Ų | 76.1 | 13% | 0.132 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | I751 A757 L759 | I751-A755 PolarHBondContact O-N 3.38Å; A755-A757 PolarHBondContact O-N 3.19Å; A755-L759 PolarHBondContact O-N 2.82Å |
| 756 | A | 52.3 | Low | 52.1 | Low | 52 Ų | 52 | 76.8 Ų | 76.8 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q752 E753 | Q752-A756 WeakPolarHBondContact O-CB 3.45Å; Q752-A756 PolarHBondContact O-N 3.24Å; E753-A756 PolarHBondContact O-N 2.93Å |
| 757 | A | 51.1 | Low | 50.9 | Low | 85 Ų | 85 | 74.5 Ų | 74.5 | 70% | 0.702 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -75.3 | -33.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E753 F754 A755 | E753-A757 VanDerWaalsContact O-CB 3.25Å; E753-A757 WeakPolarHBondContact O-CB 2.94Å; E753-A757 PolarHBondContact O-N 3.39Å; F754-A757 PolarHBondContact O-N 2.83Å; A755-A757 PolarHBondContact O-N 3.19Å |
| 758 | R | 50 | Low | 50.2 | Low | 151 Ų | 151 | 74.8 Ų | 74.8 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -97.3 | -24.5 | -172.9 | -131.7 | -177.6 | -164.5 | 170.5 | 3.1 | 114.6 | L693 F754 | L693-R758 PolarHBondContact O-NH1 3.18Å; F754-R758 PolarHBondContact O-N 3.29Å |
| 759 | L | 46.6 | Very low | 50.1 | Low | 73 Ų | 73 | 72.6 Ų | 72.6 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -103.4 | -6.9 | -177.1 | -71.4 | 156.1 | 0 | 0 | 0 | 113.2 | A755 E767 F789 | A755-L759 PolarHBondContact O-N 2.82Å; L759-E767 WeakPolarHBondContact CD2-OE2 3.43Å; L759-F789 HydrophobicContact CD2-CZ 4.16Å |
| 760 | G | 42.8 | Very low | 50.7 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | trans | 73.4 | 149.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S762 | G760-S762 PolarHBondContact O-N 2.68Š| ||
| 761 | S | 40.8 | Very low | 51.5 | Low | 60 Ų | 60 | 63.2 Ų | 63.2 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 11.6 | -173.9 | 76.6 | 0 | 0 | 0 | 0 | 115.9 | Y119 | Y119-S761 VanDerWaalsContact CE2-OG 3.29Å; Y119-S761 WeakPolarHBondContact CE2-OG 3.45Å; Y119-S761 PolarHBondContact OH-N 3.12Å; Y119-S761 VanDerWaalsContact OH-N 3.08Å |
| 762 | S | 37.4 | Very low | 52.8 | Low | 39 Ų | 39 | 62.5 Ų | 62.5 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -4 | -171.5 | 69.5 | 0 | 0 | 0 | 0 | 115.4 | G116 V118 G760 S764 | G116-S762 WeakPolarHBondContact O-CB 3.34Å; V118-S762 WeakPolarHBondContact CG2-OG 3.33Å; G760-S762 PolarHBondContact O-N 2.68Å; S762-S764 PolarHBondContact O-N 2.63Å; S762-S764 VanDerWaalsContact O-N 3.11Å |
| 763 | S | 35.1 | Very low | 54 | Low | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -71.8 | 111.7 | 166.8 | 57.5 | 0 | 0 | 0 | 0 | 107 | E767 | S763-E767 WeakPolarHBondContact CB-OE1 3.33Š|
| 764 | S | 38.5 | Very low | 55.3 | Low | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | trans | -41.6 | 153.7 | 164.9 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | S762 D766 E767 | S762-S764 PolarHBondContact O-N 2.63Å; S762-S764 VanDerWaalsContact O-N 3.11Å; S764-D766 PolarHBondContact O-N 3.2Å; S764-D766 PolarHBondContact OG-OD2 3.48Å; S764-E767 PolarHBondContact O-N 2.9Å; S764-E767 VanDerWaalsContact O-N 3.11Å | ||
| 765 | I | 39.7 | Very low | 56.8 | Low | 130 Ų | 130 | 46.7 Ų | 46.7 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -40.4 | -18.9 | 179.5 | -66.9 | 156.3 | 0 | 0 | 0 | 114.2 | E767 T768 | I765-E767 VanDerWaalsContact C-N 3.34Å; I765-E767 PolarHBondContact O-N 3.08Å; I765-T768 PolarHBondContact O-N 3.49Å; I765-T768 PolarHBondContact O-OG1 3.13Å |
| 766 | D | 42.9 | Very low | 58.2 | Low | 72 Ų | 72 | 48.5 Ų | 48.5 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57.3 | -28.5 | 174 | -58.8 | -46.4 | 0 | 0 | 0 | 116.3 | S764 T768 F769 | S764-D766 PolarHBondContact O-N 3.2Å; S764-D766 PolarHBondContact OG-OD2 3.48Å; D766-T768 PolarHBondContact O-N 3.46Å; D766-F769 WeakPolarHBondContact O-CD2 3.28Å |
| 767 | E | 47.5 | Very low | 59.6 | Low | 71 Ų | 71 | 56.1 Ų | 56.1 | 33% | 0.332 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -80.2 | 0.9 | -177.2 | -67.2 | -160 | -168.1 | 0 | 0 | 114 | K635 L759 S763 S764 I765 | K635-E767 IonicContact NZ-OE1 2.81Å; K635-E767 PolarHBondContact NZ-OE1 3.36Å; K635-E767 IonicContact NZ-OE2 3.91Å; K635-E767 PolarHBondContact NZ-OE2 2.6Å; L759-E767 WeakPolarHBondContact CD2-OE2 3.43Å; S763-E767 WeakPolarHBondContact CB-OE1 3.33Å; S764-E767 PolarHBondContact O-N 2.9Å; S764-E767 VanDerWaalsContact O-N 3.11Å; I765-E767 VanDerWaalsContact C-N 3.34Å; I765-E767 PolarHBondContact O-N 3.08Å |
| 768 | T | 53.8 | Low | 61 | Low | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | trans | -107.6 | 51.8 | 174.8 | 64 | 0 | 0 | 0 | 0 | 112.2 | R72 I765 D766 | R72-T768 PolarHBondContact NH1-O 2.96Å; R72-T768 PolarHBondContact NH2-O 2.67Å; I765-T768 PolarHBondContact O-N 3.49Å; I765-T768 PolarHBondContact O-OG1 3.13Å; D766-T768 PolarHBondContact O-N 3.46Å | ||
| 769 | F | 64.1 | Low | 62.5 | Low | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | trans | -104.2 | -14.2 | 173.5 | -97.4 | -97.7 | 0 | 0 | 0 | 117.1 | W57 K61 V64 R72 D766 I785 | W57-F769 HydrophobicContact CH2-CB 4.4Å; K61-F769 HydrophobicContact CB-CE1 4.41Å; K61-F769 HydrophobicContact CB-CZ 4.1Å; K61-F769 HydrophobicContact CG-CE1 4.08Å; K61-F769 HydrophobicContact CG-CE2 4.34Å; K61-F769 HydrophobicContact CG-CZ 3.98Å; V64-F769 HydrophobicContact CB-CD1 4.38Å; V64-F769 HydrophobicContact CB-CE1 3.3Å; V64-F769 HydrophobicContact CB-CZ 3.42Å; V64-F769 VanDerWaalsContact CB-CZ 3.42Å; V64-F769 HydrophobicContact CG1-CD1 4.26Å; V64-F769 HydrophobicContact CG1-CE1 3.49Å; V64-F769 VanDerWaalsContact CG1-CE1 3.49Å; V64-F769 HydrophobicContact CG1-CE2 4.22Å; V64-F769 HydrophobicContact CG1-CZ 3.46Å; V64-F769 VanDerWaalsContact CG1-CZ 3.46Å; V64-F769 HydrophobicContact CG2-CD1 4.39Å; V64-F769 HydrophobicContact CG2-CE1 3.57Å; V64-F769 HydrophobicContact CG2-CZ 4.22Å; R72-F769 VanDerWaalsContact NH2-N 3.15Å; D766-F769 WeakPolarHBondContact O-CD2 3.28Å; F769-I785 HydrophobicContact CD1-CD1 4.11Å; F769-I785 WeakPolarHBondContact O-CD1 3.46Å | ||
| 770 | S | 75.7 | Confident | 64.3 | Low | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | trans | -65.2 | 151.4 | 179.3 | -46.4 | 0 | 0 | 0 | 0 | 114.9 | R72 I785 T787 | R72-S770 PolarHBondContact NE-O 3.1Å; R72-S770 PolarHBondContact NH2-O 3.28Å; S770-I785 CarbonylContact C-O 3.52Å; S770-T787 WeakPolarHBondContact OG-CB 3.39Å; S770-T787 PolarHBondContact OG-OG1 3.4Å | ||
| 771 | G | 81 | Confident | 66.3 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.2 | -172.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I785 | G771-I785 PolarHBondContact N-O 3.29Å; G771-I785 PolarHBondContact O-N 2.02Å |
| 772 | P | 86.1 | Confident | 68.6 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.1 | -178.4 | 31.8 | -34.2 | 0 | 0 | 0 | 111.6 | F700 L740 L744 Y774 L781 L784 | F700-P772 HydrophobicContact CE1-CG 4.31Å; F700-P772 HydrophobicContact CZ-CG 4.19Å; L740-P772 HydrophobicContact CD2-CB 4.48Å; L740-P772 HydrophobicContact CD2-CG 4.06Å; L744-P772 HydrophobicContact CD1-CG 3.43Å; L744-P772 VanDerWaalsContact CD1-CG 3.43Å; P772-Y774 HydrophobicContact CB-CE2 4.02Å; P772-Y774 HydrophobicContact CG-CE2 4.08Å; P772-L781 HydrophobicContact CB-CD1 3.53Å; P772-L784 HydrophobicContact CB-CD1 4.27Å |
| 773 | L | 86.4 | Confident | 71.1 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.6 | 178.5 | -68.3 | 172.7 | 0 | 0 | 0 | 110 | L60 V64 R72 K782 A783 I785 | L60-L773 HydrophobicContact CD1-CD1 4.26Å; V64-L773 HydrophobicContact CG1-CD2 4.48Å; V64-L773 HydrophobicContact CG2-CD1 3.89Å; V64-L773 HydrophobicContact CG2-CD2 4.04Å; R72-L773 HydrophobicContact CG-CD2 4.02Å; L773-K782 PolarHBondContact O-N 3.47Å; L773-A783 HydrophobicContact CB-CB 4.2Å; L773-A783 HydrophobicContact CD1-CB 4.14Å; L773-A783 PolarHBondContact N-O 3.23Å; L773-A783 PolarHBondContact O-N 2.85Å; L773-I785 HydrophobicContact CD1-CD1 3.56Å; L773-I785 HydrophobicContact CD1-CG1 4.3Å; L773-I785 HydrophobicContact CG-CD1 4.48Å |
| 774 | Y | 85.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.5 | 179.2 | -61 | -89.4 | 0 | 0 | 0 | 110.5 | W70 T71 P74 L740 K741 L744 P772 S776 K780 L781 | W70-Y774 CarbonylContact C-O 3.54Å; W70-Y774 VanDerWaalsContact CA-O 3.23Å; W70-Y774 WeakPolarHBondContact CA-O 3.16Å; T71-Y774 PolarHBondContact N-O 2.68Å; T71-Y774 PolarHBondContact O-N 3.5Å; P74-Y774 HydrophobicContact CG-CD1 4.34Å; P74-Y774 HydrophobicContact CG-CD2 3.83Å; P74-Y774 HydrophobicContact CG-CE2 4.47Å; P74-Y774 HydrophobicContact CG-CG 3.75Å; L740-Y774 WeakPolarHBondContact CD2-OH 3.35Å; K741-Y774 HydrophobicContact CD-CE1 4.26Å; K741-Y774 HydrophobicContact CG-CD1 4.48Å; K741-Y774 HydrophobicContact CG-CE1 3.94Å; K741-Y774 HydrophobicContact CG-CE2 4.14Å; L744-Y774 HydrophobicContact CD1-CE2 4.11Å; P772-Y774 HydrophobicContact CB-CE2 4.02Å; P772-Y774 HydrophobicContact CG-CE2 4.08Å; Y774-S776 PolarHBondContact O-N 3.11Å; Y774-K780 CarbonylContact C-O 3.58Å; Y774-K780 WeakPolarHBondContact CA-O 3.14Å; Y774-L781 HydrophobicContact CD1-CB 4.11Å; Y774-L781 HydrophobicContact CD1-CD1 4.25Å; Y774-L781 HydrophobicContact CE1-CB 3.92Å; Y774-L781 HydrophobicContact CE1-CD1 3.87Å; Y774-L781 HydrophobicContact CE1-CG 4.5Å; Y774-L781 HydrophobicContact CE2-CD1 4.38Å |
| 775 | D | 85.2 | Confident | 76.1 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 122.6 | 167.9 | 174.2 | -2.2 | 0 | 0 | 0 | 109.8 | R777 T778 G779 K780 K782 | D775-R777 PolarHBondContact O-N 3.31Å; D775-R777 VanDerWaalsContact O-N 3.16Å; D775-R777 PolarHBondContact OD1-N 3.47Å; D775-T778 VanDerWaalsContact CB-OG1 3.31Å; D775-T778 WeakPolarHBondContact CB-OG1 3.48Å; D775-T778 PolarHBondContact O-N 3.38Å; D775-T778 WeakPolarHBondContact OD2-CG2 3.42Å; D775-T778 PolarHBondContact OD2-OG1 3.5Å; D775-G779 VanDerWaalsContact O-CA 3.25Å; D775-G779 WeakPolarHBondContact O-CA 3.29Å; D775-G779 PolarHBondContact O-N 3.45Å; D775-K780 PolarHBondContact N-O 3.45Å; D775-K782 HydrophobicContact CB-CG 3.89Å |
| 776 | S | 80.3 | Confident | 78.4 | Confident | 53 Ų | 53 | 41 Ų | 41 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | Q68 E69 T71 Y774 | Q68-S776 PolarHBondContact O-OG 3.29Å; E69-S776 VanDerWaalsContact O-CB 3.28Å; E69-S776 WeakPolarHBondContact O-CB 3.2Å; E69-S776 PolarHBondContact O-N 3.44Å; E69-S776 PolarHBondContact O-OG 3.24Å; T71-S776 WeakPolarHBondContact CG2-OG 3.44Å; T71-S776 PolarHBondContact OG1-OG 2.89Å; Y774-S776 PolarHBondContact O-N 3.11Å |
| 777 | R | 80.4 | Confident | 80.4 | Confident | 212 Ų | 212 | 37.9 Ų | 37.9 | 80% | 0.8 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -42.2 | -178.7 | -61.7 | -173.7 | -174 | -171.7 | 6.1 | 112.7 | D775 | D775-R777 PolarHBondContact O-N 3.31Å; D775-R777 VanDerWaalsContact O-N 3.16Å; D775-R777 PolarHBondContact OD1-N 3.47Å |
| 778 | T | 82.3 | Confident | 82.2 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 52% | 0.515 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -15.2 | -173.3 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | D775 K780 | D775-T778 VanDerWaalsContact CB-OG1 3.31Å; D775-T778 WeakPolarHBondContact CB-OG1 3.48Å; D775-T778 PolarHBondContact O-N 3.38Å; D775-T778 WeakPolarHBondContact OD2-CG2 3.42Å; D775-T778 PolarHBondContact OD2-OG1 3.5Å; T778-K780 PolarHBondContact O-N 2.95Å; T778-K780 PolarHBondContact OG1-N 3.12Å |
| 779 | G | 80 | Confident | 83.7 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | trans | 64.2 | 12.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K741 D775 | K741-G779 WeakPolarHBondContact CE-O 3.41Å; K741-G779 PolarHBondContact NZ-O 3.31Å; D775-G779 VanDerWaalsContact O-CA 3.25Å; D775-G779 WeakPolarHBondContact O-CA 3.29Å; D775-G779 PolarHBondContact O-N 3.45Å | ||
| 780 | K | 84.2 | Confident | 84.8 | Confident | 144 Ų | 144 | 32 Ų | 32 | 63% | 0.626 | 16% | 0.158 | S | C | * | . | trans | -86.2 | 142.1 | 179.9 | -69.2 | -171.5 | 175.3 | -173.1 | 0 | 111 | Y774 D775 T778 K782 | Y774-K780 CarbonylContact C-O 3.58Å; Y774-K780 WeakPolarHBondContact CA-O 3.14Å; D775-K780 PolarHBondContact N-O 3.45Å; T778-K780 PolarHBondContact O-N 2.95Å; T778-K780 PolarHBondContact OG1-N 3.12Å; K780-K782 PolarHBondContact O-N 3.44Å | ||
| 781 | L | 86.6 | Confident | 85.4 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.3 | 173.2 | -173.3 | 70 | 0 | 0 | 0 | 109.7 | F664 L666 P772 Y774 | F664-L781 HydrophobicContact CE1-CD2 4.45Å; F664-L781 HydrophobicContact CE1-CG 4.42Å; F664-L781 HydrophobicContact CE2-CD2 3.86Å; F664-L781 HydrophobicContact CZ-CD2 3.62Å; F664-L781 HydrophobicContact CZ-CG 3.93Å; L666-L781 HydrophobicContact CB-CD2 3.65Å; L666-L781 HydrophobicContact CD2-CD2 3.76Å; L666-L781 HydrophobicContact CG-CD2 4.27Å; P772-L781 HydrophobicContact CB-CD1 3.53Å; Y774-L781 HydrophobicContact CD1-CB 4.11Å; Y774-L781 HydrophobicContact CD1-CD1 4.25Å; Y774-L781 HydrophobicContact CE1-CB 3.92Å; Y774-L781 HydrophobicContact CE1-CD1 3.87Å; Y774-L781 HydrophobicContact CE1-CG 4.5Å; Y774-L781 HydrophobicContact CE2-CD1 4.38Å |
| 782 | K | 87.7 | Confident | 85.7 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -39.4 | -177.6 | -77.8 | -69.4 | -174.8 | 172.5 | 0 | 113 | W70 G641 P661 F664 L773 D775 K780 | W70-K782 HydrophobicContact CD2-CB 4.15Å; W70-K782 HydrophobicContact CE3-CB 4.28Å; W70-K782 HydrophobicContact CH2-CB 4.24Å; W70-K782 HydrophobicContact CZ2-CB 4.17Å; W70-K782 HydrophobicContact CZ2-CD 4.35Å; W70-K782 HydrophobicContact CZ2-CG 4.33Å; W70-K782 HydrophobicContact CZ3-CB 4.3Å; G641-K782 WeakPolarHBondContact CA-O 3.4Å; P661-K782 HydrophobicContact CB-CD 4.41Å; F664-K782 WeakPolarHBondContact CE1-O 3.4Å; L773-K782 PolarHBondContact O-N 3.47Å; D775-K782 HydrophobicContact CB-CG 3.89Å; K780-K782 PolarHBondContact O-N 3.44Å |
| 783 | A | 90 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W70 W640 V642 L773 | W70-A783 HydrophobicContact CE3-CB 4.42Å; W70-A783 HydrophobicContact CZ3-CB 4.03Å; W640-A783 WeakPolarHBondContact O-CA 3.45Å; W640-A783 WeakPolarHBondContact O-CB 3.15Å; V642-A783 HydrophobicContact CG2-CB 4.05Å; L773-A783 HydrophobicContact CB-CB 4.2Å; L773-A783 HydrophobicContact CD1-CB 4.14Å; L773-A783 PolarHBondContact N-O 3.23Å; L773-A783 PolarHBondContact O-N 2.85Å |
| 784 | L | 89.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.8 | 170.1 | 170.2 | 70.4 | 0 | 0 | 0 | 107.5 | W640 F664 L666 I675 F700 P772 V786 | W640-L784 HydrophobicContact CB-CB 4.23Å; W640-L784 HydrophobicContact CD2-CD2 4.47Å; W640-L784 HydrophobicContact CE3-CD2 4.14Å; W640-L784 HydrophobicContact CE3-CG 4.18Å; W640-L784 PolarHBondContact N-O 3.05Å; W640-L784 PolarHBondContact O-N 3.32Å; W640-L784 VanDerWaalsContact O-N 3.08Å; F664-L784 HydrophobicContact CE2-CB 4.34Å; F664-L784 HydrophobicContact CZ-CB 3.93Å; L666-L784 HydrophobicContact CD1-CD2 3.84Å; I675-L784 HydrophobicContact CD1-CD2 3.81Å; F700-L784 HydrophobicContact CE1-CD1 3.81Å; F700-L784 HydrophobicContact CZ-CD1 4.24Å; P772-L784 HydrophobicContact CB-CD1 4.27Å; L784-V786 HydrophobicContact CG-CG2 4.35Å |
| 785 | I | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.3 | 179.5 | -57.8 | 167.6 | 0 | 0 | 0 | 108.5 | W57 L60 H637 I638 V639 F769 S770 G771 L773 | W57-I785 HydrophobicContact CH2-CD1 4.19Å; W57-I785 HydrophobicContact CH2-CG2 4.08Å; W57-I785 HydrophobicContact CZ3-CD1 3.85Å; W57-I785 HydrophobicContact CZ3-CG1 4.34Å; W57-I785 HydrophobicContact CZ3-CG2 4.19Å; L60-I785 HydrophobicContact CD2-CD1 3.85Å; L60-I785 HydrophobicContact CD2-CG1 4.36Å; H637-I785 HydrophobicContact CB-CG2 4.44Å; I638-I785 CarbonylContact O-C 3.6Å; I638-I785 WeakPolarHBondContact O-CA 3.11Å; V639-I785 HydrophobicContact CG2-CG1 4.48Å; F769-I785 HydrophobicContact CD1-CD1 4.11Å; F769-I785 WeakPolarHBondContact O-CD1 3.46Å; S770-I785 CarbonylContact C-O 3.52Å; G771-I785 PolarHBondContact N-O 3.29Å; G771-I785 PolarHBondContact O-N 2.02Å; L773-I785 HydrophobicContact CD1-CD1 3.56Å; L773-I785 HydrophobicContact CD1-CG1 4.3Å; L773-I785 HydrophobicContact CG-CD1 4.48Å |
| 786 | V | 88 | Confident | 85.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.1 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108 | H637 I638 W640 S698 L784 F788 | H637-V786 CarbonylContact C-O 3.51Å; H637-V786 WeakPolarHBondContact CA-O 3.45Å; I638-V786 PolarHBondContact N-O 3.1Å; I638-V786 PolarHBondContact O-N 3.28Å; W640-V786 HydrophobicContact CE3-CG2 4.4Å; W640-V786 HydrophobicContact CH2-CG2 4.21Å; W640-V786 HydrophobicContact CZ3-CB 3.94Å; W640-V786 HydrophobicContact CZ3-CG2 3.55Å; S698-V786 WeakPolarHBondContact O-CG1 3.37Å; S698-V786 WeakPolarHBondContact O-CG2 3.04Å; L784-V786 HydrophobicContact CG-CG2 4.35Å; V786-F788 HydrophobicContact CB-CE2 4.32Å; V786-F788 HydrophobicContact CG1-CD2 4.08Å; V786-F788 HydrophobicContact CG1-CE1 4.48Å; V786-F788 HydrophobicContact CG1-CE2 3.2Å; V786-F788 HydrophobicContact CG1-CZ 3.45Å; V786-F788 VanDerWaalsContact CG1-CZ 3.45Å |
| 787 | T | 84.8 | Confident | 85.5 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.5 | -175.9 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | I636 H637 S698 S770 | I636-T787 CarbonylContact O-C 3.47Å; I636-T787 VanDerWaalsContact O-CA 3.28Å; I636-T787 WeakPolarHBondContact O-CA 3.46Å; H637-T787 WeakPolarHBondContact CE1-CG2 3.37Å; H637-T787 VanDerWaalsContact ND1-CG2 3.32Å; H637-T787 WeakPolarHBondContact ND1-CG2 3.43Å; H637-T787 PolarHBondContact ND1-OG1 3.29Å; S698-T787 WeakPolarHBondContact CB-O 3.31Å; S698-T787 PolarHBondContact OG-N 3.19Å; S698-T787 VanDerWaalsContact OG-N 3.1Å; S698-T787 PolarHBondContact OG-O 3.07Å; S770-T787 WeakPolarHBondContact OG-CB 3.39Å; S770-T787 PolarHBondContact OG-OG1 3.4Å |
| 788 | F | 85.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.7 | 173 | -59.6 | -84.1 | 0 | 0 | 0 | 111.8 | K635 I636 I638 I682 I688 L693 C699 V786 | K635-F788 WeakPolarHBondContact CA-O 3.46Å; I636-F788 PolarHBondContact N-O 2.75Å; I636-F788 PolarHBondContact O-N 3.36Å; I638-F788 HydrophobicContact CD1-CD2 4.43Å; I638-F788 HydrophobicContact CD1-CE2 4.26Å; I682-F788 HydrophobicContact CD1-CD2 3.78Å; I682-F788 HydrophobicContact CD1-CE2 3.68Å; I682-F788 HydrophobicContact CD1-CG 4.49Å; I682-F788 HydrophobicContact CD1-CZ 4.35Å; I682-F788 HydrophobicContact CG1-CE2 4.44Å; I682-F788 HydrophobicContact CG2-CD1 4.39Å; I682-F788 HydrophobicContact CG2-CD2 4.46Å; I682-F788 HydrophobicContact CG2-CE1 3.63Å; I682-F788 HydrophobicContact CG2-CE2 3.69Å; I682-F788 HydrophobicContact CG2-CZ 3.22Å; I688-F788 HydrophobicContact CD1-CB 3.75Å; I688-F788 HydrophobicContact CD1-CG 4.32Å; I688-F788 HydrophobicContact CG2-CD1 4.49Å; L693-F788 HydrophobicContact CD1-CD1 4.29Å; L693-F788 HydrophobicContact CD2-CE1 4.37Å; L693-F788 HydrophobicContact CG-CD1 4.35Å; C699-F788 WeakPolarHBondContact SG-CZ 3.16Å; V786-F788 HydrophobicContact CB-CE2 4.32Å; V786-F788 HydrophobicContact CG1-CD2 4.08Å; V786-F788 HydrophobicContact CG1-CE1 4.48Å; V786-F788 HydrophobicContact CG1-CE2 3.2Å; V786-F788 HydrophobicContact CG1-CZ 3.45Å; V786-F788 VanDerWaalsContact CG1-CZ 3.45Å |
| 789 | F | 84.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 42 Ų | 42 | 9% | 0.088 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.8 | 169.1 | -68.1 | -83.5 | 0 | 0 | 0 | 109.5 | P633 K635 D689 R692 P694 L759 | P633-F789 HydrophobicContact CB-CD1 4.44Å; P633-F789 HydrophobicContact CG-CD1 3.87Å; K635-F789 HydrophobicContact CD-CE1 4.11Å; K635-F789 VanDerWaalsContact CE-CE1 3.45Å; K635-F789 HydrophobicContact CG-CD1 3.94Å; K635-F789 HydrophobicContact CG-CE1 3.8Å; D689-F789 HydrophobicContact CB-CB 4.3Å; D689-F789 PolarHBondContact N-O 3.1Å; R692-F789 HydrophobicContact CB-CB 4.06Å; R692-F789 HydrophobicContact CB-CD2 3.84Å; R692-F789 HydrophobicContact CB-CG 3.99Å; R692-F789 WeakPolarHBondContact O-CD2 3.42Å; R692-F789 WeakPolarHBondContact O-CE2 3.5Å; P694-F789 HydrophobicContact CG-CE2 4.25Å; L759-F789 HydrophobicContact CD2-CZ 4.16Å |
| 790 | S | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 149.7 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | P633 M634 F687 F792 F804 | P633-S790 VanDerWaalsContact CB-O 3.22Å; P633-S790 WeakPolarHBondContact CB-O 3.32Å; M634-S790 WeakPolarHBondContact O-CB 3.43Å; M634-S790 PolarHBondContact O-N 3.36Å; F687-S790 CarbonylContact O-C 3.56Å; F687-S790 WeakPolarHBondContact O-CA 3.28Å; F687-S790 PolarHBondContact O-OG 2.97Å; S790-F792 PolarHBondContact O-N 3.36Å; S790-F792 WeakPolarHBondContact OG-CB 3.45Å; S790-F792 WeakPolarHBondContact OG-CD2 3.5Å; S790-F792 PolarHBondContact OG-N 3.14Å; S790-F804 WeakPolarHBondContact OG-CE2 3.48Å |
| 791 | T | 88.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 44% | 0.442 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -21.8 | 166.1 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | S686 F687 I688 D689 | S686-T791 PolarHBondContact O-OG1 3.31Å; F687-T791 WeakPolarHBondContact CA-OG1 3.35Å; F687-T791 PolarHBondContact O-N 2.99Å; F687-T791 PolarHBondContact O-OG1 3.18Å; I688-T791 WeakPolarHBondContact O-CG2 3.3Å; D689-T791 HydrophobicContact CB-CG2 4.22Å |
| 792 | F | 88.1 | Confident | 87.1 | Confident | 60 Ų | 60 | 44 Ų | 44 | 26% | 0.263 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131.3 | 173.7 | -66.2 | -87.6 | 0 | 0 | 0 | 111.1 | M634 F687 S790 H803 F804 | M634-F792 PolarHBondContact N-O 3.16Å; F687-F792 HydrophobicContact CB-CD2 4.06Å; F687-F792 HydrophobicContact CB-CE2 3.66Å; S790-F792 PolarHBondContact O-N 3.36Å; S790-F792 WeakPolarHBondContact OG-CB 3.45Å; S790-F792 WeakPolarHBondContact OG-CD2 3.5Å; S790-F792 PolarHBondContact OG-N 3.14Å; F792-H803 AromaticContact CE1-ND1 3.81Å; F792-H803 AromaticContact CZ-ND1 3.86Å; F792-F804 HydrophobicContact CB-CB 4.45Å; F792-F804 HydrophobicContact CB-CD2 3.69Å; F792-F804 HydrophobicContact CB-CE2 4.26Å; F792-F804 HydrophobicContact CB-CG 4.23Å; F792-F804 HydrophobicContact CD1-CB 4.19Å; F792-F804 AromaticContact CD2-CD2 3.55Å; F792-F804 HydrophobicContact CD2-CD2 3.55Å; F792-F804 HydrophobicContact CD2-CE2 4.27Å; F792-F804 HydrophobicContact CD2-CG 4.49Å; F792-F804 HydrophobicContact CE2-CD2 4.27Å; F792-F804 HydrophobicContact CG-CB 4.16Å; F792-F804 AromaticContact CG-CD2 3.67Å; F792-F804 HydrophobicContact CG-CD2 3.67Å; F792-F804 HydrophobicContact CG-CG 4.27Å |
| 793 | K | 84.4 | Confident | 87.4 | Confident | 144 Ų | 144 | 46.4 Ų | 46.4 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 141.3 | 175.3 | -69.2 | -179.4 | 179.8 | -174.7 | 0 | 109.4 | V631 S795 | V631-K793 HydrophobicContact CB-CB 3.96Å; V631-K793 HydrophobicContact CB-CD 4.16Å; V631-K793 HydrophobicContact CB-CG 4.29Å; V631-K793 HydrophobicContact CG1-CB 3.58Å; V631-K793 HydrophobicContact CG1-CG 4.38Å; K793-S795 PolarHBondContact O-N 3.05Å |
| 794 | F | 84.3 | Confident | 87.6 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 137.4 | 174.2 | -179.9 | -115.6 | 0 | 0 | 0 | 111.8 | V631 M634 Y796 N832 | V631-F794 HydrophobicContact CG1-CB 3.87Å; V631-F794 WeakPolarHBondContact CG1-O 3.21Å; M634-F794 HydrophobicContact CE-CB 3.55Å; M634-F794 HydrophobicContact CE-CD2 3.65Å; M634-F794 HydrophobicContact CE-CG 3.94Å; M634-F794 HydrophobicContact SD-CB 4.09Å; M634-F794 HydrophobicContact SD-CD2 3.84Å; M634-F794 HydrophobicContact SD-CG 4.45Å; F794-Y796 HydrophobicContact CE1-CD1 4.45Å; F794-Y796 HydrophobicContact CE1-CD2 4.42Å; F794-Y796 AromaticContact CE1-CE1 3.82Å; F794-Y796 HydrophobicContact CE1-CE1 3.82Å; F794-Y796 AromaticContact CE1-CE2 3.78Å; F794-Y796 HydrophobicContact CE1-CE2 3.78Å; F794-Y796 AromaticContact CE1-CZ 3.43Å; F794-Y796 VanDerWaalsContact CE1-CZ 3.43Å; F794-Y796 WeakPolarHBondContact CE1-OH 3.02Å; F794-Y796 HydrophobicContact CZ-CD1 4.29Å; F794-Y796 AromaticContact CZ-CE1 3.8Å; F794-Y796 HydrophobicContact CZ-CE1 3.8Å; F794-Y796 AromaticContact CZ-CZ 3.92Å; F794-N832 HydrophobicContact CD2-CB 3.88Å; F794-N832 HydrophobicContact CE2-CB 3.66Å; F794-N832 WeakPolarHBondContact CE2-O 3.32Å; F794-N832 HydrophobicContact CZ-CB 4.28Å |
| 795 | S | 84.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | trans | -147.2 | 145.6 | 176.8 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | K793 H797 M801 | K793-S795 PolarHBondContact O-N 3.05Å; S795-H797 PolarHBondContact OG-CD2 2.95Å; S795-H797 PolarHBondContact OG-N 3.15Å; S795-M801 WeakPolarHBondContact O-CG 3.48Å | ||
| 796 | Y | 80.8 | Confident | 88 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -79.3 | -8.7 | 171.4 | -63.3 | -78.8 | 0 | 0 | 0 | 113 | G599 D601 F794 F798 T835 Q839 | G599-Y796 VanDerWaalsContact O-CB 3.3Å; G599-Y796 WeakPolarHBondContact O-CB 3.45Å; D601-Y796 HydrophobicContact CB-CD1 4.35Å; D601-Y796 HydrophobicContact CB-CE1 3.46Å; D601-Y796 VanDerWaalsContact CB-CE1 3.46Å; D601-Y796 HydrophobicContact CB-CE2 4.04Å; D601-Y796 WeakPolarHBondContact CB-OH 3.41Å; D601-Y796 VanDerWaalsContact CG-CZ 3.43Å; D601-Y796 WeakPolarHBondContact OD1-CE1 3.22Å; D601-Y796 PolarHBondContact OD1-OH 3.18Å; D601-Y796 VanDerWaalsContact OD1-OH 3.13Å; D601-Y796 PolarHBondContact OD2-OH 3.45Å; F794-Y796 HydrophobicContact CE1-CD1 4.45Å; F794-Y796 HydrophobicContact CE1-CD2 4.42Å; F794-Y796 AromaticContact CE1-CE1 3.82Å; F794-Y796 HydrophobicContact CE1-CE1 3.82Å; F794-Y796 AromaticContact CE1-CE2 3.78Å; F794-Y796 HydrophobicContact CE1-CE2 3.78Å; F794-Y796 AromaticContact CE1-CZ 3.43Å; F794-Y796 VanDerWaalsContact CE1-CZ 3.43Å; F794-Y796 WeakPolarHBondContact CE1-OH 3.02Å; F794-Y796 HydrophobicContact CZ-CD1 4.29Å; F794-Y796 AromaticContact CZ-CE1 3.8Å; F794-Y796 HydrophobicContact CZ-CE1 3.8Å; F794-Y796 AromaticContact CZ-CZ 3.92Å; Y796-F798 PolarHBondContact O-N 2.86Å; Y796-T835 HydrophobicContact CE1-CG2 4.32Å; Y796-Q839 PolarHBondContact O-NE2 2.84Å |
| 797 | H | 84.9 | Confident | 88.4 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | trans | -75.6 | 117.1 | 177.8 | -68.6 | -61.9 | 0 | 0 | 0 | 111.2 | S795 S799 R800 M801 | S795-H797 PolarHBondContact OG-CD2 2.95Å; S795-H797 PolarHBondContact OG-N 3.15Å; H797-S799 VanDerWaalsContact C-N 3.32Å; H797-S799 PolarHBondContact O-N 2.04Å; H797-R800 HydrophobicContact CB-CG 4.45Å; H797-R800 PolarHBondContact O-N 3.44Å; H797-M801 PolarHBondContact O-N 3.27Å | ||
| 798 | F | 87.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -48.5 | -48.9 | -179.6 | 179.6 | -102 | 0 | 0 | 0 | 113 | L597 Y796 R800 M801 D802 Y836 Q839 L840 | L597-F798 HydrophobicContact CD1-CB 3.8Å; L597-F798 HydrophobicContact CD1-CD1 4.1Å; L597-F798 HydrophobicContact CD1-CD2 4.25Å; L597-F798 HydrophobicContact CD1-CG 3.77Å; Y796-F798 PolarHBondContact O-N 2.86Å; F798-R800 PolarHBondContact O-N 2.98Å; F798-M801 PolarHBondContact O-N 2.79Å; F798-D802 HydrophobicContact CE1-CB 4.22Å; F798-D802 HydrophobicContact CZ-CB 4.28Å; F798-D802 WeakPolarHBondContact O-CB 3.36Å; F798-D802 PolarHBondContact O-N 2.86Å; F798-Y836 HydrophobicContact CD2-CD2 4.04Å; F798-Y836 AromaticContact CD2-CE2 3.95Å; F798-Y836 HydrophobicContact CD2-CE2 3.95Å; F798-Y836 HydrophobicContact CE2-CD2 4.12Å; F798-Y836 AromaticContact CE2-CE2 3.65Å; F798-Y836 HydrophobicContact CE2-CE2 3.65Å; F798-Y836 HydrophobicContact CZ-CE2 4.37Å; F798-Q839 HydrophobicContact CD2-CB 3.79Å; F798-Q839 HydrophobicContact CE2-CB 4.4Å; F798-L840 HydrophobicContact CE2-CB 4.24Å; F798-L840 HydrophobicContact CE2-CD1 4.26Å; F798-L840 HydrophobicContact CZ-CD1 4.18Å |
| 799 | S | 88.4 | Confident | 89.2 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.9 | -35.7 | -175.7 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | H797 H803 | H797-S799 VanDerWaalsContact C-N 3.32Å; H797-S799 PolarHBondContact O-N 2.04Å; S799-H803 WeakPolarHBondContact O-CB 3.25Å; S799-H803 PolarHBondContact O-N 2.97Å; S799-H803 VanDerWaalsContact O-N 3.08Å |
| 800 | R | 88.9 | Confident | 89.8 | Confident | 162 Ų | 162 | 58.9 Ų | 58.9 | 61% | 0.611 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.2 | -42.8 | 177.8 | -69.9 | -174.5 | -178.9 | 170.4 | 2.2 | 111.1 | H797 F798 F804 | H797-R800 HydrophobicContact CB-CG 4.45Å; H797-R800 PolarHBondContact O-N 3.44Å; F798-R800 PolarHBondContact O-N 2.98Å; R800-F804 WeakPolarHBondContact O-CB 3.4Å; R800-F804 PolarHBondContact O-N 3.26Å |
| 801 | M | 90.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 178.3 | -69.4 | -54.8 | -60.8 | 0 | 0 | 112.3 | M634 S795 H797 F798 F804 F805 L833 Y836 | M634-M801 HydrophobicContact SD-CE 3.82Å; M634-M801 HydrophobicContact SD-SD 4.42Å; S795-M801 WeakPolarHBondContact O-CG 3.48Å; H797-M801 PolarHBondContact O-N 3.27Å; F798-M801 PolarHBondContact O-N 2.79Å; M801-F804 HydrophobicContact CE-CD1 3.88Å; M801-F804 HydrophobicContact CE-CE1 4.34Å; M801-F804 PolarHBondContact O-N 3.48Å; M801-F805 WeakPolarHBondContact O-CB 3.46Å; M801-F805 PolarHBondContact O-N 3.38Å; M801-L833 HydrophobicContact CE-CD2 3.91Å; M801-Y836 HydrophobicContact CB-CD2 3.62Å; M801-Y836 HydrophobicContact CB-CE2 4.26Å; M801-Y836 HydrophobicContact CB-CG 3.99Å |
| 802 | D | 91.9 | Very high | 90.4 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.2 | -166 | 63.5 | 0 | 0 | 0 | 111.3 | F798 G806 Y836 | F798-D802 HydrophobicContact CE1-CB 4.22Å; F798-D802 HydrophobicContact CZ-CB 4.28Å; F798-D802 WeakPolarHBondContact O-CB 3.36Å; F798-D802 PolarHBondContact O-N 2.86Å; D802-G806 PolarHBondContact O-N 2.87Å; D802-Y836 HydrophobicContact CB-CE2 3.84Å; D802-Y836 PolarHBondContact OD1-OH 3.17Å |
| 803 | H | 93.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 60.4 Ų | 60.4 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.6 | -178.4 | -85.7 | 0 | 0 | 0 | 112.1 | F792 S799 T807 | F792-H803 AromaticContact CE1-ND1 3.81Å; F792-H803 AromaticContact CZ-ND1 3.86Å; S799-H803 WeakPolarHBondContact O-CB 3.25Å; S799-H803 PolarHBondContact O-N 2.97Å; S799-H803 VanDerWaalsContact O-N 3.08Å; H803-T807 VanDerWaalsContact O-CB 3.31Å; H803-T807 WeakPolarHBondContact O-CB 3.48Å; H803-T807 PolarHBondContact O-N 3.46Å; H803-T807 PolarHBondContact O-OG1 3.23Å |
| 804 | F | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -56 | 176.3 | 162.4 | -108.2 | 0 | 0 | 0 | 111.6 | M634 I636 S790 F792 R800 M801 G806 T807 V808 | M634-F804 HydrophobicContact CB-CE1 4.29Å; M634-F804 HydrophobicContact CB-CE2 4.26Å; M634-F804 HydrophobicContact CB-CZ 3.83Å; M634-F804 HydrophobicContact CG-CE1 4.26Å; M634-F804 HydrophobicContact CG-CZ 4.26Å; M634-F804 HydrophobicContact SD-CE1 4.45Å; I636-F804 HydrophobicContact CD1-CE2 4.19Å; I636-F804 HydrophobicContact CD1-CZ 4.41Å; I636-F804 HydrophobicContact CG1-CE2 4.39Å; I636-F804 HydrophobicContact CG1-CZ 4.13Å; S790-F804 WeakPolarHBondContact OG-CE2 3.48Å; F792-F804 HydrophobicContact CB-CB 4.45Å; F792-F804 HydrophobicContact CB-CD2 3.69Å; F792-F804 HydrophobicContact CB-CE2 4.26Å; F792-F804 HydrophobicContact CB-CG 4.23Å; F792-F804 HydrophobicContact CD1-CB 4.19Å; F792-F804 AromaticContact CD2-CD2 3.55Å; F792-F804 HydrophobicContact CD2-CD2 3.55Å; F792-F804 HydrophobicContact CD2-CE2 4.27Å; F792-F804 HydrophobicContact CD2-CG 4.49Å; F792-F804 HydrophobicContact CE2-CD2 4.27Å; F792-F804 HydrophobicContact CG-CB 4.16Å; F792-F804 AromaticContact CG-CD2 3.67Å; F792-F804 HydrophobicContact CG-CD2 3.67Å; F792-F804 HydrophobicContact CG-CG 4.27Å; R800-F804 WeakPolarHBondContact O-CB 3.4Å; R800-F804 PolarHBondContact O-N 3.26Å; M801-F804 HydrophobicContact CE-CD1 3.88Å; M801-F804 HydrophobicContact CE-CE1 4.34Å; M801-F804 PolarHBondContact O-N 3.48Å; F804-G806 PolarHBondContact O-N 3.2Å; F804-T807 PolarHBondContact O-N 2.94Å; F804-V808 HydrophobicContact CD2-CG2 3.9Å; F804-V808 HydrophobicContact CE2-CG2 3.62Å; F804-V808 HydrophobicContact CZ-CG2 4.3Å; F804-V808 WeakPolarHBondContact O-CG2 3.36Å; F804-V808 PolarHBondContact O-N 2.91Å |
| 805 | F | 94.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | -177.2 | -173.3 | -91.7 | 0 | 0 | 0 | 110.9 | I50 M801 T807 V808 E809 F828 L833 Y836 | I50-F805 HydrophobicContact CD1-CD2 4.42Å; I50-F805 HydrophobicContact CD1-CE1 4.09Å; I50-F805 HydrophobicContact CD1-CE2 4Å; I50-F805 HydrophobicContact CD1-CZ 3.83Å; I50-F805 HydrophobicContact CG1-CE1 4.31Å; I50-F805 HydrophobicContact CG1-CE2 3.96Å; I50-F805 HydrophobicContact CG1-CZ 3.67Å; M801-F805 WeakPolarHBondContact O-CB 3.46Å; M801-F805 PolarHBondContact O-N 3.38Å; F805-T807 PolarHBondContact O-N 3.48Å; F805-V808 PolarHBondContact O-N 3.37Å; F805-E809 HydrophobicContact CD1-CB 4.43Å; F805-E809 HydrophobicContact CE1-CB 4.19Å; F805-E809 HydrophobicContact CE1-CG 4.26Å; F805-E809 WeakPolarHBondContact O-CB 3.48Å; F805-E809 PolarHBondContact O-N 3.38Å; F805-F828 HydrophobicContact CD2-CE2 4.11Å; F805-F828 AromaticContact CD2-CZ 3.58Å; F805-F828 HydrophobicContact CD2-CZ 3.58Å; F805-F828 HydrophobicContact CE2-CE1 4.14Å; F805-F828 HydrophobicContact CE2-CE2 4.03Å; F805-F828 AromaticContact CE2-CZ 3.43Å; F805-F828 HydrophobicContact CE2-CZ 3.43Å; F805-F828 VanDerWaalsContact CE2-CZ 3.43Å; F805-F828 HydrophobicContact CG-CZ 4.36Å; F805-F828 HydrophobicContact CZ-CE1 4.42Å; F805-F828 HydrophobicContact CZ-CZ 4.11Å; F805-L833 HydrophobicContact CD2-CD1 4.11Å; F805-L833 HydrophobicContact CD2-CD2 4.16Å; F805-L833 HydrophobicContact CE2-CD1 4.14Å; F805-Y836 HydrophobicContact CB-CE1 3.83Å; F805-Y836 HydrophobicContact CD1-CE1 4.08Å; F805-Y836 HydrophobicContact CD2-CE1 4.31Å; F805-Y836 AromaticContact CG-CE1 3.8Å; F805-Y836 HydrophobicContact CG-CE1 3.8Å |
| 806 | G | 94.7 | Very high | 92 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D802 F804 K810 | D802-G806 PolarHBondContact O-N 2.87Å; F804-G806 PolarHBondContact O-N 3.2Å; G806-K810 WeakPolarHBondContact O-CB 3.41Å; G806-K810 PolarHBondContact O-N 3.32Å; G806-K810 VanDerWaalsContact O-N 3.17Å |
| 807 | T | 94.7 | Very high | 92.6 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -50.8 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | F687 H803 F804 F805 K810 W811 | F687-T807 HydrophobicContact CD1-CG2 4.46Å; H803-T807 VanDerWaalsContact O-CB 3.31Å; H803-T807 WeakPolarHBondContact O-CB 3.48Å; H803-T807 PolarHBondContact O-N 3.46Å; H803-T807 PolarHBondContact O-OG1 3.23Å; F804-T807 PolarHBondContact O-N 2.94Å; F805-T807 PolarHBondContact O-N 3.48Å; T807-K810 PolarHBondContact O-N 3.42Å; T807-W811 PolarHBondContact O-N 2.93Å; T807-W811 VanDerWaalsContact O-N 3.12Å |
| 808 | V | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | -177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I636 F687 F804 F805 K810 W811 I812 F828 | I636-V808 HydrophobicContact CD1-CG1 4.17Å; I636-V808 HydrophobicContact CD1-CG2 4.12Å; I636-V808 HydrophobicContact CG2-CG1 4.34Å; F687-V808 HydrophobicContact CD2-CG2 3.96Å; F687-V808 HydrophobicContact CE2-CG2 4.18Å; F687-V808 HydrophobicContact CG-CG2 4.35Å; F804-V808 HydrophobicContact CD2-CG2 3.9Å; F804-V808 HydrophobicContact CE2-CG2 3.62Å; F804-V808 HydrophobicContact CZ-CG2 4.3Å; F804-V808 WeakPolarHBondContact O-CG2 3.36Å; F804-V808 PolarHBondContact O-N 2.91Å; F805-V808 PolarHBondContact O-N 3.37Å; V808-K810 VanDerWaalsContact C-N 3.33Å; V808-K810 PolarHBondContact O-N 3.11Å; V808-W811 PolarHBondContact O-N 3.41Å; V808-I812 HydrophobicContact CG1-CD1 3.54Å; V808-I812 HydrophobicContact CG1-CG1 4.16Å; V808-I812 WeakPolarHBondContact O-CB 3.34Å; V808-I812 WeakPolarHBondContact O-CG1 3.48Å; V808-I812 PolarHBondContact O-N 2.9Å; V808-F828 HydrophobicContact CB-CE2 4.49Å; V808-F828 HydrophobicContact CB-CZ 4.17Å; V808-F828 HydrophobicContact CG1-CD1 4.27Å; V808-F828 HydrophobicContact CG1-CD2 4.07Å; V808-F828 HydrophobicContact CG1-CE1 4Å; V808-F828 HydrophobicContact CG1-CE2 3.85Å; V808-F828 HydrophobicContact CG1-CG 4.28Å; V808-F828 HydrophobicContact CG1-CZ 3.8Å |
| 809 | E | 94.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 178.3 | -177.4 | 75.1 | -158.4 | 0 | 0 | 111.9 | R53 F805 K813 F828 | R53-E809 IonicContact CZ-OE1 3.85Å; R53-E809 IonicContact CZ-OE2 2.71Å; R53-E809 IonicContact NH1-OE1 3.8Å; R53-E809 IonicContact NH1-OE2 3.46Å; R53-E809 PolarHBondContact NH1-OE2 2.95Å; R53-E809 IonicContact NH2-OE1 2.68Å; R53-E809 PolarHBondContact NH2-OE1 3.33Å; R53-E809 IonicContact NH2-OE2 3.42Å; R53-E809 PolarHBondContact NH2-OE2 3.43Å; F805-E809 HydrophobicContact CD1-CB 4.43Å; F805-E809 HydrophobicContact CE1-CB 4.19Å; F805-E809 HydrophobicContact CE1-CG 4.26Å; F805-E809 WeakPolarHBondContact O-CB 3.48Å; F805-E809 PolarHBondContact O-N 3.38Å; E809-K813 HydrophobicContact CG-CD 4.14Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.07Å; E809-K813 WeakPolarHBondContact O-CG 3.3Å; E809-K813 PolarHBondContact O-N 3.41Å; E809-K813 WeakPolarHBondContact OE1-CD 3.31Å; E809-K813 WeakPolarHBondContact OE1-CE 3.49Å; E809-K813 IonicContact OE1-NZ 2.72Å; E809-K813 PolarHBondContact OE1-NZ 3.11Å; E809-F828 VanDerWaalsContact CA-CE1 3.48Å; E809-F828 HydrophobicContact CB-CE1 3.67Å; E809-F828 HydrophobicContact CB-CZ 4.25Å; E809-F828 HydrophobicContact CG-CE1 4.31Å; E809-F828 WeakPolarHBondContact OE2-CE1 3.07Å |
| 810 | K | 95.4 | Very high | 93.4 | Very high | 159 Ų | 159 | 55.1 Ų | 55.1 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 178.8 | -176.4 | -179.4 | 178.9 | -175.5 | 0 | 111.3 | G806 T807 V808 T814 | G806-K810 WeakPolarHBondContact O-CB 3.41Å; G806-K810 PolarHBondContact O-N 3.32Å; G806-K810 VanDerWaalsContact O-N 3.17Å; T807-K810 PolarHBondContact O-N 3.42Å; V808-K810 VanDerWaalsContact C-N 3.33Å; V808-K810 PolarHBondContact O-N 3.11Å; K810-T814 WeakPolarHBondContact O-CB 3.49Å; K810-T814 PolarHBondContact O-N 2.99Å; K810-T814 PolarHBondContact O-OG1 2.9Å |
| 811 | W | 95.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -51.5 | 179.4 | -174.3 | 93.1 | 0 | 0 | 0 | 111.2 | F678 I682 E685 F687 T807 V808 K813 T814 E815 | F678-W811 HydrophobicContact CD2-CH2 4.47Å; F678-W811 AromaticContact CE2-CH2 3.92Å; F678-W811 HydrophobicContact CE2-CH2 3.92Å; F678-W811 AromaticContact CE2-CZ3 3.77Å; F678-W811 HydrophobicContact CE2-CZ3 3.77Å; F678-W811 HydrophobicContact CZ-CH2 4.38Å; F678-W811 HydrophobicContact CZ-CZ3 4.04Å; I682-W811 HydrophobicContact CB-CH2 3.42Å; I682-W811 VanDerWaalsContact CB-CH2 3.42Å; I682-W811 HydrophobicContact CB-CZ2 4.2Å; I682-W811 HydrophobicContact CB-CZ3 3.95Å; I682-W811 HydrophobicContact CD1-CH2 4.08Å; I682-W811 HydrophobicContact CD1-CZ3 3.65Å; I682-W811 HydrophobicContact CG1-CH2 3.62Å; I682-W811 HydrophobicContact CG1-CZ2 4.42Å; I682-W811 HydrophobicContact CG1-CZ3 3.65Å; E685-W811 HydrophobicContact CG-CD2 4.32Å; E685-W811 HydrophobicContact CG-CZ2 3.76Å; E685-W811 PolarHBondContact OE1-NE1 3.44Å; F687-W811 HydrophobicContact CE1-CB 4.24Å; F687-W811 HydrophobicContact CE1-CD2 4.26Å; F687-W811 HydrophobicContact CE1-CG 4.02Å; F687-W811 HydrophobicContact CZ-CB 4.39Å; F687-W811 AromaticContact CZ-CD2 3.92Å; F687-W811 HydrophobicContact CZ-CD2 3.92Å; F687-W811 AromaticContact CZ-CE3 3.95Å; F687-W811 HydrophobicContact CZ-CE3 3.95Å; F687-W811 HydrophobicContact CZ-CG 4.1Å; T807-W811 PolarHBondContact O-N 2.93Å; T807-W811 VanDerWaalsContact O-N 3.12Å; V808-W811 PolarHBondContact O-N 3.41Å; W811-K813 VanDerWaalsContact C-N 3.34Å; W811-K813 PolarHBondContact O-N 3.48Å; W811-T814 WeakPolarHBondContact O-CB 3.47Å; W811-T814 PolarHBondContact O-N 3.4Å; W811-E815 HydrophobicContact CD2-CG 3.98Å; W811-E815 HydrophobicContact CE3-CG 4.13Å; W811-E815 HydrophobicContact CH2-CB 4.36Å; W811-E815 HydrophobicContact CH2-CG 3.64Å; W811-E815 HydrophobicContact CZ2-CG 3.55Å; W811-E815 HydrophobicContact CZ3-CB 4.33Å; W811-E815 HydrophobicContact CZ3-CG 3.95Å; W811-E815 PolarHBondContact O-N 3.43Å |
| 812 | I | 94 | Very high | 93.2 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | -178.3 | -70.8 | -177.4 | 0 | 0 | 0 | 111.5 | I636 I638 V808 T814 E815 I816 F828 | I636-I812 HydrophobicContact CG2-CD1 4.3Å; I638-I812 HydrophobicContact CD1-CD1 3.96Å; I638-I812 HydrophobicContact CG1-CD1 4.24Å; V808-I812 HydrophobicContact CG1-CD1 3.54Å; V808-I812 HydrophobicContact CG1-CG1 4.16Å; V808-I812 WeakPolarHBondContact O-CB 3.34Å; V808-I812 WeakPolarHBondContact O-CG1 3.48Å; V808-I812 PolarHBondContact O-N 2.9Å; I812-T814 VanDerWaalsContact C-N 3.31Å; I812-T814 PolarHBondContact O-N 3.5Å; I812-E815 PolarHBondContact O-N 3.34Å; I812-I816 HydrophobicContact CG2-CD1 3.38Å; I812-I816 HydrophobicContact CG2-CG1 4.14Å; I812-I816 WeakPolarHBondContact O-CB 3.36Å; I812-I816 VanDerWaalsContact O-CG1 3.22Å; I812-I816 WeakPolarHBondContact O-CG1 3.28Å; I812-I816 PolarHBondContact O-N 3.23Å; I812-F828 HydrophobicContact CB-CD1 4.45Å; I812-F828 HydrophobicContact CD1-CB 3.51Å; I812-F828 HydrophobicContact CD1-CD1 3.67Å; I812-F828 HydrophobicContact CD1-CD2 4.42Å; I812-F828 HydrophobicContact CD1-CE1 4.49Å; I812-F828 HydrophobicContact CD1-CG 3.61Å; I812-F828 HydrophobicContact CG2-CD1 4.42Å |
| 813 | K | 93.4 | Very high | 93 | Very high | 126 Ų | 126 | 57 Ų | 57 | 55% | 0.548 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 175.8 | -83.7 | 178.8 | 161 | 147.2 | 0 | 113 | E809 W811 A817 | E809-K813 HydrophobicContact CG-CD 4.14Å; E809-K813 VanDerWaalsContact O-CB 3.3Å; E809-K813 WeakPolarHBondContact O-CB 3.07Å; E809-K813 WeakPolarHBondContact O-CG 3.3Å; E809-K813 PolarHBondContact O-N 3.41Å; E809-K813 WeakPolarHBondContact OE1-CD 3.31Å; E809-K813 WeakPolarHBondContact OE1-CE 3.49Å; E809-K813 IonicContact OE1-NZ 2.72Å; E809-K813 PolarHBondContact OE1-NZ 3.11Å; W811-K813 VanDerWaalsContact C-N 3.34Å; W811-K813 PolarHBondContact O-N 3.48Å; K813-A817 WeakPolarHBondContact O-CB 3.14Å; K813-A817 PolarHBondContact O-N 2.85Å |
| 814 | T | 94.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 54.9 Ų | 54.9 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 179.7 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | K810 W811 I812 A817 | K810-T814 WeakPolarHBondContact O-CB 3.49Å; K810-T814 PolarHBondContact O-N 2.99Å; K810-T814 PolarHBondContact O-OG1 2.9Å; W811-T814 WeakPolarHBondContact O-CB 3.47Å; W811-T814 PolarHBondContact O-N 3.4Å; I812-T814 VanDerWaalsContact C-N 3.31Å; I812-T814 PolarHBondContact O-N 3.5Å; T814-A817 PolarHBondContact O-N 2.99Å |
| 815 | E | 94 | Very high | 92.7 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.4 | -48.3 | 177.7 | -76.6 | -56.8 | 140 | 0 | 0 | 112.4 | W674 F678 W811 I812 A817 T818 | W674-E815 WeakPolarHBondContact CZ2-O 3.22Å; F678-E815 HydrophobicContact CD2-CB 4.3Å; F678-E815 HydrophobicContact CE2-CB 4.09Å; W811-E815 HydrophobicContact CD2-CG 3.98Å; W811-E815 HydrophobicContact CE3-CG 4.13Å; W811-E815 HydrophobicContact CH2-CB 4.36Å; W811-E815 HydrophobicContact CH2-CG 3.64Å; W811-E815 HydrophobicContact CZ2-CG 3.55Å; W811-E815 HydrophobicContact CZ3-CB 4.33Å; W811-E815 HydrophobicContact CZ3-CG 3.95Å; W811-E815 PolarHBondContact O-N 3.43Å; I812-E815 PolarHBondContact O-N 3.34Å; E815-A817 PolarHBondContact O-N 3.27Å; E815-A817 VanDerWaalsContact O-N 3.15Å; E815-T818 WeakPolarHBondContact O-CB 3.4Å; E815-T818 PolarHBondContact O-N 3.21Å; E815-T818 PolarHBondContact O-OG1 3.37Å |
| 816 | I | 92.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -28 | 179.3 | -68.8 | 173 | 0 | 0 | 0 | 111.8 | I812 T818 A819 N824 A826 | I812-I816 HydrophobicContact CG2-CD1 3.38Å; I812-I816 HydrophobicContact CG2-CG1 4.14Å; I812-I816 WeakPolarHBondContact O-CB 3.36Å; I812-I816 VanDerWaalsContact O-CG1 3.22Å; I812-I816 WeakPolarHBondContact O-CG1 3.28Å; I812-I816 PolarHBondContact O-N 3.23Å; I816-T818 PolarHBondContact O-N 3.43Å; I816-A819 WeakPolarHBondContact O-CB 3.32Å; I816-A819 PolarHBondContact O-N 2.96Å; I816-N824 VanDerWaalsContact CG2-O 3.23Å; I816-N824 WeakPolarHBondContact CG2-O 3.34Å; I816-A826 HydrophobicContact CD1-CB 3.5Å; I816-A826 VanDerWaalsContact CD1-CB 3.5Å; I816-A826 WeakPolarHBondContact CD1-O 3.49Å; I816-A826 HydrophobicContact CG1-CB 4.25Å |
| 817 | A | 92.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 69% | 0.694 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K813 T814 E815 A819 | K813-A817 WeakPolarHBondContact O-CB 3.14Å; K813-A817 PolarHBondContact O-N 2.85Å; T814-A817 PolarHBondContact O-N 2.99Å; E815-A817 PolarHBondContact O-N 3.27Å; E815-A817 VanDerWaalsContact O-N 3.15Å; A817-A819 VanDerWaalsContact C-N 3.3Å |
| 818 | T | 94.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.1 | 174.1 | 73.6 | 0 | 0 | 0 | 0 | 113 | W674 E815 I816 | W674-T818 PolarHBondContact NE1-OG1 3.21Å; E815-T818 WeakPolarHBondContact O-CB 3.4Å; E815-T818 PolarHBondContact O-N 3.21Å; E815-T818 PolarHBondContact O-OG1 3.37Å; I816-T818 PolarHBondContact O-N 3.43Å |
| 819 | A | 91.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 59 Ų | 59 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -71.9 | 150.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W674 I816 A817 I823 N824 | W674-A819 HydrophobicContact CD2-CB 3.89Å; W674-A819 HydrophobicContact CE3-CB 4.22Å; W674-A819 HydrophobicContact CH2-CB 3.91Å; W674-A819 HydrophobicContact CZ2-CB 3.55Å; W674-A819 HydrophobicContact CZ3-CB 4.22Å; I816-A819 WeakPolarHBondContact O-CB 3.32Å; I816-A819 PolarHBondContact O-N 2.96Å; A817-A819 VanDerWaalsContact C-N 3.3Å; A819-I823 HydrophobicContact CB-CG1 4.15Å; A819-N824 HydrophobicContact CB-CB 4.27Å |
| 820 | P | 92.2 | Very high | 92.2 | Very high | 23 Ų | 23 | 58 Ų | 58 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | trans | -53.9 | 152.5 | 170.3 | -21.6 | 29.9 | 0 | 0 | 0 | 112.5 | R670 E822 I823 N824 | R670-P820 HydrophobicContact CB-CG 3.86Å; P820-E822 PolarHBondContact O-N 2.92Å; P820-I823 HydrophobicContact CB-CG1 4.31Å; P820-I823 HydrophobicContact CG-CD1 4.39Å; P820-I823 HydrophobicContact CG-CG1 4.2Å; P820-I823 PolarHBondContact O-N 3.31Å; P820-N824 WeakPolarHBondContact O-CB 3.49Å; P820-N824 PolarHBondContact O-N 2.94Å | ||
| 821 | K | 88.4 | Confident | 91.5 | Very high | 184 Ų | 184 | 53.2 Ų | 53.2 | 80% | 0.8 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 179.4 | -68.4 | -176.6 | 179.8 | 179.1 | 0 | 113.4 | N824 | K821-N824 PolarHBondContact O-OD1 3.21Š|
| 822 | E | 86.2 | Confident | 90.9 | Very high | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -31.1 | 177.3 | -57.8 | 97.5 | -131.9 | 0 | 0 | 113.3 | F664 D665 S668 S671 P820 | F664-E822 WeakPolarHBondContact CB-O 3.46Å; D665-E822 HydrophobicContact CB-CB 4.44Å; D665-E822 HydrophobicContact CB-CG 4.42Å; S668-E822 WeakPolarHBondContact CB-OE2 3.43Å; S668-E822 PolarHBondContact OG-OE2 2.94Å; S671-E822 PolarHBondContact OG-OE2 3.2Å; P820-E822 PolarHBondContact O-N 2.92Å |
| 823 | I | 89.7 | Confident | 90.7 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 9.3 | -171.4 | 58.3 | 166.3 | 0 | 0 | 0 | 114.2 | W640 F664 W674 I675 A819 P820 R825 | W640-I823 VanDerWaalsContact CD1-O 3.3Å; W640-I823 PolarHBondContact NE1-O 3.05Å; W640-I823 VanDerWaalsContact NE1-O 3.14Å; F664-I823 HydrophobicContact CD2-CG2 4.04Å; W674-I823 HydrophobicContact CB-CD1 4.29Å; W674-I823 HydrophobicContact CD2-CD1 4Å; W674-I823 HydrophobicContact CE3-CD1 3.38Å; W674-I823 HydrophobicContact CE3-CG1 4.45Å; W674-I823 HydrophobicContact CG-CD1 4.38Å; W674-I823 HydrophobicContact CZ3-CD1 4.07Å; I675-I823 HydrophobicContact CD1-CD1 4.33Å; I675-I823 HydrophobicContact CG1-CD1 4.07Å; A819-I823 HydrophobicContact CB-CG1 4.15Å; P820-I823 HydrophobicContact CB-CG1 4.31Å; P820-I823 HydrophobicContact CG-CD1 4.39Å; P820-I823 HydrophobicContact CG-CG1 4.2Å; P820-I823 PolarHBondContact O-N 3.31Å; I823-R825 PolarHBondContact O-N 3.19Å; I823-R825 VanDerWaalsContact O-N 3.13Å |
| 824 | N | 89.9 | Confident | 90.4 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | trans | -75.4 | 7.6 | -179.3 | 73.6 | -9.2 | 0 | 0 | 0 | 115.4 | I816 A819 P820 K821 | I816-N824 VanDerWaalsContact CG2-O 3.23Å; I816-N824 WeakPolarHBondContact CG2-O 3.34Å; A819-N824 HydrophobicContact CB-CB 4.27Å; P820-N824 WeakPolarHBondContact O-CB 3.49Å; P820-N824 PolarHBondContact O-N 2.94Å; K821-N824 PolarHBondContact O-OD1 3.21Å | ||
| 825 | R | 90.1 | Very high | 90 | Very high | 174 Ų | 174 | 50.2 Ų | 50.2 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | trans | -108.7 | 36 | -177.1 | -62.2 | -173 | 178.1 | 177.5 | -1.1 | 113.2 | I823 | I823-R825 PolarHBondContact O-N 3.19Å; I823-R825 VanDerWaalsContact O-N 3.13Å | ||
| 826 | A | 91.6 | Very high | 89.9 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | trans | -83.7 | 155.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I638 V639 W640 I816 | I638-A826 HydrophobicContact CG2-CB 4.16Å; V639-A826 VanDerWaalsContact O-CA 3.31Å; V639-A826 WeakPolarHBondContact O-CA 3.42Å; W640-A826 HydrophobicContact CD2-CB 3.72Å; W640-A826 HydrophobicContact CG-CB 3.85Å; W640-A826 HydrophobicContact CZ2-CB 3.83Å; I816-A826 HydrophobicContact CD1-CB 3.5Å; I816-A826 VanDerWaalsContact CD1-CB 3.5Å; I816-A826 WeakPolarHBondContact CD1-O 3.49Å; I816-A826 HydrophobicContact CG1-CB 4.25Å | ||
| 827 | W | 93.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 157.3 | 172.6 | 50.1 | -84.8 | 0 | 0 | 0 | 108.8 | R53 W57 V639 V642 E644 I829 | R53-W827 HydrophobicContact CB-CE3 3.78Å; R53-W827 HydrophobicContact CB-CZ3 3.71Å; R53-W827 HydrophobicContact CG-CD2 4.08Å; R53-W827 HydrophobicContact CG-CE3 3.57Å; R53-W827 HydrophobicContact CG-CZ3 4.02Å; W57-W827 HydrophobicContact CB-CH2 4.29Å; V639-W827 HydrophobicContact CB-CD2 4.26Å; V639-W827 HydrophobicContact CB-CH2 4.25Å; V639-W827 HydrophobicContact CB-CZ2 3.93Å; V639-W827 HydrophobicContact CG1-CH2 4.45Å; V639-W827 HydrophobicContact CG1-CZ2 3.89Å; V639-W827 HydrophobicContact CG2-CH2 4.13Å; V639-W827 HydrophobicContact CG2-CZ2 4.32Å; V639-W827 HydrophobicContact CG2-CZ3 4.26Å; V639-W827 PolarHBondContact N-O 2.88Å; V639-W827 PolarHBondContact O-N 2.98Å; V642-W827 PolarHBondContact O-NE1 3.16Å; E644-W827 HydrophobicContact CB-CB 4.39Å; E644-W827 HydrophobicContact CB-CD2 4.1Å; E644-W827 HydrophobicContact CB-CG 3.85Å; W827-I829 HydrophobicContact CE3-CB 4.12Å; W827-I829 HydrophobicContact CE3-CG2 4.37Å; W827-I829 HydrophobicContact CZ3-CB 3.72Å; W827-I829 HydrophobicContact CZ3-CG1 4.34Å; W827-I829 HydrophobicContact CZ3-CG2 3.7Å |
| 828 | F | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 154.1 | 176.5 | 92.3 | -89.1 | 0 | 0 | 0 | 112 | R53 I636 H637 I638 F805 V808 E809 I812 | R53-F828 WeakPolarHBondContact CD-O 3.43Å; R53-F828 PolarHBondContact NH1-O 3.49Å; R53-F828 VanDerWaalsContact NH1-O 3.16Å; I636-F828 HydrophobicContact CG2-CB 4.33Å; I636-F828 HydrophobicContact CG2-CD2 4.05Å; I636-F828 HydrophobicContact CG2-CG 4.48Å; H637-F828 CarbonylContact O-C 3.55Å; H637-F828 WeakPolarHBondContact O-CA 3.48Å; I638-F828 HydrophobicContact CG1-CB 4.19Å; F805-F828 HydrophobicContact CD2-CE2 4.11Å; F805-F828 AromaticContact CD2-CZ 3.58Å; F805-F828 HydrophobicContact CD2-CZ 3.58Å; F805-F828 HydrophobicContact CE2-CE1 4.14Å; F805-F828 HydrophobicContact CE2-CE2 4.03Å; F805-F828 AromaticContact CE2-CZ 3.43Å; F805-F828 HydrophobicContact CE2-CZ 3.43Å; F805-F828 VanDerWaalsContact CE2-CZ 3.43Å; F805-F828 HydrophobicContact CG-CZ 4.36Å; F805-F828 HydrophobicContact CZ-CE1 4.42Å; F805-F828 HydrophobicContact CZ-CZ 4.11Å; V808-F828 HydrophobicContact CB-CE2 4.49Å; V808-F828 HydrophobicContact CB-CZ 4.17Å; V808-F828 HydrophobicContact CG1-CD1 4.27Å; V808-F828 HydrophobicContact CG1-CD2 4.07Å; V808-F828 HydrophobicContact CG1-CE1 4Å; V808-F828 HydrophobicContact CG1-CE2 3.85Å; V808-F828 HydrophobicContact CG1-CG 4.28Å; V808-F828 HydrophobicContact CG1-CZ 3.8Å; E809-F828 VanDerWaalsContact CA-CE1 3.48Å; E809-F828 HydrophobicContact CB-CE1 3.67Å; E809-F828 HydrophobicContact CB-CZ 4.25Å; E809-F828 HydrophobicContact CG-CE1 4.31Å; E809-F828 WeakPolarHBondContact OE2-CE1 3.07Å; I812-F828 HydrophobicContact CB-CD1 4.45Å; I812-F828 HydrophobicContact CD1-CB 3.51Å; I812-F828 HydrophobicContact CD1-CD1 3.67Å; I812-F828 HydrophobicContact CD1-CD2 4.42Å; I812-F828 HydrophobicContact CD1-CE1 4.49Å; I812-F828 HydrophobicContact CD1-CG 3.61Å; I812-F828 HydrophobicContact CG2-CD1 4.42Å |
| 829 | I | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 158.7 | 176.9 | -163.1 | 57.3 | 0 | 0 | 0 | 110.5 | R53 L54 W57 H637 W827 L833 | R53-I829 HydrophobicContact CB-CD1 3.64Å; R53-I829 HydrophobicContact CB-CG1 4.28Å; L54-I829 HydrophobicContact CD2-CD1 3.84Å; L54-I829 HydrophobicContact CD2-CG1 4.06Å; L54-I829 HydrophobicContact CG-CD1 3.93Å; W57-I829 HydrophobicContact CB-CG1 4.38Å; W57-I829 HydrophobicContact CB-CG2 4.22Å; W57-I829 HydrophobicContact CD2-CG2 3.9Å; W57-I829 HydrophobicContact CE3-CG2 4.13Å; W57-I829 HydrophobicContact CG-CG2 3.93Å; H637-I829 HydrophobicContact CB-CG2 3.97Å; H637-I829 PolarHBondContact N-O 3.37Å; H637-I829 PolarHBondContact O-N 3.37Å; W827-I829 HydrophobicContact CE3-CB 4.12Å; W827-I829 HydrophobicContact CE3-CG2 4.37Å; W827-I829 HydrophobicContact CZ3-CB 3.72Å; W827-I829 HydrophobicContact CZ3-CG1 4.34Å; W827-I829 HydrophobicContact CZ3-CG2 3.7Å; I829-L833 HydrophobicContact CD1-CD1 4.11Å |
| 830 | C | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -131.5 | 146.2 | 170.5 | -53.9 | 0 | 0 | 0 | 0 | 108.2 | K635 N832 L833 | K635-C830 WeakPolarHBondContact O-CA 3.48Å; K635-C830 VanDerWaalsContact O-CB 3.23Å; K635-C830 WeakPolarHBondContact O-CB 3.38Å; K635-C830 PolarHBondContact O-SG 2.9Å; C830-N832 PolarHBondContact O-N 2.71Å; C830-L833 HydrophobicContact CB-CD1 3.74Å; C830-L833 HydrophobicContact CB-CG 3.89Å | ||
| 831 | D | 81.1 | Confident | 89.4 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.2 | -174.4 | -73.6 | -33.2 | 0 | 0 | 0 | 113.9 | W57 K61 H637 | W57-D831 PolarHBondContact NE1-OD1 3.02Å; K61-D831 IonicContact NZ-OD1 2.67Å; K61-D831 PolarHBondContact NZ-OD1 3.24Å; K61-D831 IonicContact NZ-OD2 2.7Å; H637-D831 IonicContact NE2-OD2 2.67Å |
| 832 | N | 82.8 | Confident | 89.4 | Confident | 69 Ų | 69 | 32.1 Ų | 32.1 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 25.8 | -169.5 | -59.9 | -8.7 | 0 | 0 | 0 | 113.8 | M634 F794 C830 N834 | M634-N832 HydrophobicContact CE-CB 4.08Å; F794-N832 HydrophobicContact CD2-CB 3.88Å; F794-N832 HydrophobicContact CE2-CB 3.66Å; F794-N832 WeakPolarHBondContact CE2-O 3.32Å; F794-N832 HydrophobicContact CZ-CB 4.28Å; C830-N832 PolarHBondContact O-N 2.71Å; N832-N834 VanDerWaalsContact C-N 3.35Å |
| 833 | L | 89.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -82.2 | -6.7 | -178.7 | -76.4 | 168.6 | 0 | 0 | 0 | 114.8 | I50 M801 F805 I829 C830 T835 Y836 D837 | I50-L833 HydrophobicContact CG2-CB 3.95Å; M801-L833 HydrophobicContact CE-CD2 3.91Å; F805-L833 HydrophobicContact CD2-CD1 4.11Å; F805-L833 HydrophobicContact CD2-CD2 4.16Å; F805-L833 HydrophobicContact CE2-CD1 4.14Å; I829-L833 HydrophobicContact CD1-CD1 4.11Å; C830-L833 HydrophobicContact CB-CD1 3.74Å; C830-L833 HydrophobicContact CB-CG 3.89Å; L833-T835 VanDerWaalsContact C-N 3.33Å; L833-T835 PolarHBondContact O-N 3.42Å; L833-Y836 HydrophobicContact CD2-CD1 4Å; L833-Y836 PolarHBondContact O-N 3.48Å; L833-D837 WeakPolarHBondContact O-CB 3.42Å; L833-D837 PolarHBondContact O-N 3.27Å | ||
| 834 | N | 87.7 | Confident | 89.3 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.4 | -43 | -177.3 | -173.1 | 21.6 | 0 | 0 | 0 | 112.6 | L54 N832 D837 L838 | L54-N834 HydrophobicContact CD1-CB 4.19Å; N832-N834 VanDerWaalsContact C-N 3.35Å; N834-D837 PolarHBondContact O-N 3.3Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 PolarHBondContact O-N 2.82Å |
| 835 | T | 86.6 | Confident | 89 | Confident | 41 Ų | 41 | 30.2 Ų | 30.2 | 25% | 0.252 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 179.5 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | Y796 L833 L838 Q839 | Y796-T835 HydrophobicContact CE1-CG2 4.32Å; L833-T835 VanDerWaalsContact C-N 3.33Å; L833-T835 PolarHBondContact O-N 3.42Å; T835-L838 PolarHBondContact O-N 3Å; T835-Q839 WeakPolarHBondContact O-CG 3.23Å; T835-Q839 PolarHBondContact O-N 3.03Å |
| 836 | Y | 90 | Very high | 88.6 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.9 | 168.8 | -108.7 | 0 | 0 | 0 | 111.7 | I50 F798 M801 D802 F805 L833 L838 Q839 L840 | I50-Y836 HydrophobicContact CD1-CD1 3.88Å; I50-Y836 HydrophobicContact CD1-CE1 3.64Å; F798-Y836 HydrophobicContact CD2-CD2 4.04Å; F798-Y836 AromaticContact CD2-CE2 3.95Å; F798-Y836 HydrophobicContact CD2-CE2 3.95Å; F798-Y836 HydrophobicContact CE2-CD2 4.12Å; F798-Y836 AromaticContact CE2-CE2 3.65Å; F798-Y836 HydrophobicContact CE2-CE2 3.65Å; F798-Y836 HydrophobicContact CZ-CE2 4.37Å; M801-Y836 HydrophobicContact CB-CD2 3.62Å; M801-Y836 HydrophobicContact CB-CE2 4.26Å; M801-Y836 HydrophobicContact CB-CG 3.99Å; D802-Y836 HydrophobicContact CB-CE2 3.84Å; D802-Y836 PolarHBondContact OD1-OH 3.17Å; F805-Y836 HydrophobicContact CB-CE1 3.83Å; F805-Y836 HydrophobicContact CD1-CE1 4.08Å; F805-Y836 HydrophobicContact CD2-CE1 4.31Å; F805-Y836 AromaticContact CG-CE1 3.8Å; F805-Y836 HydrophobicContact CG-CE1 3.8Å; L833-Y836 HydrophobicContact CD2-CD1 4Å; L833-Y836 PolarHBondContact O-N 3.48Å; Y836-L838 VanDerWaalsContact C-N 3.32Å; Y836-L838 PolarHBondContact O-N 3.45Å; Y836-Q839 PolarHBondContact O-N 2.03Å; Y836-L840 HydrophobicContact CE1-CD2 4.42Å; Y836-L840 WeakPolarHBondContact O-CB 3.05Å; Y836-L840 PolarHBondContact O-N 2.7Å |
| 837 | D | 92.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.4 | -177.4 | 49.2 | 0 | 0 | 0 | 111.6 | T45 T48 I50 L833 N834 L840 A841 | T45-D837 WeakPolarHBondContact CB-OD2 3.39Å; T45-D837 WeakPolarHBondContact CG2-OD2 3.37Å; T45-D837 PolarHBondContact OG1-OD2 3.08Å; T48-D837 PolarHBondContact OG1-OD1 2.95Å; T48-D837 PolarHBondContact OG1-OD2 3.35Å; I50-D837 HydrophobicContact CB-CB 4.02Å; I50-D837 HydrophobicContact CD1-CB 4.36Å; I50-D837 HydrophobicContact CG2-CB 3.79Å; L833-D837 WeakPolarHBondContact O-CB 3.42Å; L833-D837 PolarHBondContact O-N 3.27Å; N834-D837 PolarHBondContact O-N 3.3Å; D837-L840 PolarHBondContact O-N 3Å; D837-A841 VanDerWaalsContact O-CB 3.27Å; D837-A841 WeakPolarHBondContact O-CB 3.5Å; D837-A841 PolarHBondContact O-N 3.16Å |
| 838 | L | 90.3 | Very high | 87.9 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.1 | -177.9 | 64.6 | 0 | 0 | 0 | 111.8 | T45 I476 F603 N834 T835 Y836 L840 A841 L842 V898 | T45-L838 HydrophobicContact CG2-CB 4.49Å; T45-L838 HydrophobicContact CG2-CD1 4.33Å; I476-L838 HydrophobicContact CD1-CD1 3.91Å; I476-L838 HydrophobicContact CG1-CD1 4Å; I476-L838 HydrophobicContact CG2-CD1 4.29Å; F603-L838 HydrophobicContact CE1-CD2 4.12Å; F603-L838 HydrophobicContact CZ-CD2 3.71Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 PolarHBondContact O-N 2.82Å; T835-L838 PolarHBondContact O-N 3Å; Y836-L838 VanDerWaalsContact C-N 3.32Å; Y836-L838 PolarHBondContact O-N 3.45Å; L838-L840 PolarHBondContact O-N 2.86Å; L838-A841 PolarHBondContact O-N 3.35Å; L838-L842 HydrophobicContact CG-CD1 4.37Å; L838-L842 VanDerWaalsContact O-CG 3.3Å; L838-L842 WeakPolarHBondContact O-CG 3.45Å; L838-L842 PolarHBondContact O-N 2.64Å; L838-V898 HydrophobicContact CD1-CG2 4.06Å; L838-V898 HydrophobicContact CD2-CG2 4.38Å |
| 839 | Q | 89.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177 | -72.3 | 174.9 | -10.4 | 0 | 0 | 111.9 | L597 P598 Y796 F798 T835 Y836 A841 L842 V843 | L597-Q839 HydrophobicContact CD2-CB 4.42Å; L597-Q839 HydrophobicContact CD2-CG 4.49Å; P598-Q839 PolarHBondContact O-NE2 2.87Å; Y796-Q839 PolarHBondContact O-NE2 2.84Å; F798-Q839 HydrophobicContact CD2-CB 3.79Å; F798-Q839 HydrophobicContact CE2-CB 4.4Å; T835-Q839 WeakPolarHBondContact O-CG 3.23Å; T835-Q839 PolarHBondContact O-N 3.03Å; Y836-Q839 PolarHBondContact O-N 2.03Å; Q839-A841 VanDerWaalsContact C-N 3.33Å; Q839-A841 PolarHBondContact O-N 3.07Å; Q839-L842 WeakPolarHBondContact O-CB 3.33Å; Q839-L842 PolarHBondContact O-N 3.1Å; Q839-V843 WeakPolarHBondContact O-CG2 3.43Å; Q839-V843 PolarHBondContact O-N 2.76Å |
| 840 | L | 90.8 | Very high | 86.6 | Confident | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 177 | -176.9 | 62.2 | 0 | 0 | 0 | 111.4 | I50 F798 Y836 D837 L838 V843 N844 | I50-L840 HydrophobicContact CD1-CD2 4.24Å; F798-L840 HydrophobicContact CE2-CB 4.24Å; F798-L840 HydrophobicContact CE2-CD1 4.26Å; F798-L840 HydrophobicContact CZ-CD1 4.18Å; Y836-L840 HydrophobicContact CE1-CD2 4.42Å; Y836-L840 WeakPolarHBondContact O-CB 3.05Å; Y836-L840 PolarHBondContact O-N 2.7Å; D837-L840 PolarHBondContact O-N 3Å; L838-L840 PolarHBondContact O-N 2.86Å; L840-V843 PolarHBondContact O-N 2.94Å; L840-N844 WeakPolarHBondContact O-CB 3.21Å; L840-N844 VanDerWaalsContact O-CG 3.27Å; L840-N844 PolarHBondContact O-N 2.93Å; L840-N844 PolarHBondContact O-ND2 3.41Å |
| 841 | A | 90.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T45 S475 I476 D837 L838 Q839 N844 S845 | T45-A841 HydrophobicContact CG2-CB 3.51Å; S475-A841 WeakPolarHBondContact OG-CB 3.41Å; I476-A841 HydrophobicContact CD1-CB 4.4Å; I476-A841 HydrophobicContact CG1-CB 4.03Å; D837-A841 VanDerWaalsContact O-CB 3.27Å; D837-A841 WeakPolarHBondContact O-CB 3.5Å; D837-A841 PolarHBondContact O-N 3.16Å; L838-A841 PolarHBondContact O-N 3.35Å; Q839-A841 VanDerWaalsContact C-N 3.33Å; Q839-A841 PolarHBondContact O-N 3.07Å; A841-N844 PolarHBondContact O-N 3.26Å; A841-S845 VanDerWaalsContact O-CB 3.23Å; A841-S845 WeakPolarHBondContact O-CB 3.46Å; A841-S845 PolarHBondContact O-N 2.98Å; A841-S845 PolarHBondContact O-OG 2.8Å |
| 842 | L | 87.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 174.4 | -71.2 | 167.2 | 0 | 0 | 0 | 110.7 | I476 L838 Q839 N844 S845 A846 V898 T901 | I476-L842 HydrophobicContact CD1-CD2 3.39Å; I476-L842 HydrophobicContact CD1-CG 3.79Å; L838-L842 HydrophobicContact CG-CD1 4.37Å; L838-L842 VanDerWaalsContact O-CG 3.3Å; L838-L842 WeakPolarHBondContact O-CG 3.45Å; L838-L842 PolarHBondContact O-N 2.64Å; Q839-L842 WeakPolarHBondContact O-CB 3.33Å; Q839-L842 PolarHBondContact O-N 3.1Å; L842-N844 PolarHBondContact O-N 3.35Å; L842-S845 PolarHBondContact O-N 3.34Å; L842-S845 PolarHBondContact O-OG 2.95Å; L842-A846 WeakPolarHBondContact O-CB 2.99Å; L842-A846 PolarHBondContact O-N 3.3Å; L842-V898 HydrophobicContact CD2-CG2 4.33Å; L842-T901 HydrophobicContact CD2-CG2 4.34Å; L842-T901 VanDerWaalsContact CD2-OG1 3.27Å; L842-T901 WeakPolarHBondContact CD2-OG1 3.09Å |
| 843 | V | 86.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | L597 Q839 L840 A846 K847 | L597-V843 HydrophobicContact CD1-CG2 3.94Å; L597-V843 HydrophobicContact CD2-CG2 4.18Å; Q839-V843 WeakPolarHBondContact O-CG2 3.43Å; Q839-V843 PolarHBondContact O-N 2.76Å; L840-V843 PolarHBondContact O-N 2.94Å; V843-A846 PolarHBondContact O-N 2.9Å; V843-K847 HydrophobicContact CG1-CD 4.2Å; V843-K847 WeakPolarHBondContact O-CG 3.2Å; V843-K847 PolarHBondContact O-N 2.68Å |
| 844 | N | 87.6 | Confident | 86.3 | Confident | 73 Ų | 73 | 36.5 Ų | 36.5 | 39% | 0.39 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.2 | -41.7 | -179.9 | -73.6 | -20.2 | 0 | 0 | 0 | 111.9 | L840 A841 L842 A846 K847 T848 | L840-N844 WeakPolarHBondContact O-CB 3.21Å; L840-N844 VanDerWaalsContact O-CG 3.27Å; L840-N844 PolarHBondContact O-N 2.93Å; L840-N844 PolarHBondContact O-ND2 3.41Å; A841-N844 PolarHBondContact O-N 3.26Å; L842-N844 PolarHBondContact O-N 3.35Å; N844-A846 VanDerWaalsContact C-N 3.35Å; N844-A846 PolarHBondContact O-N 2.94Å; N844-K847 WeakPolarHBondContact O-CB 3.46Å; N844-K847 PolarHBondContact O-N 2.75Å; N844-K847 VanDerWaalsContact O-N 3.17Å; N844-T848 PolarHBondContact O-N 2.83Å; N844-T848 PolarHBondContact O-OG1 3.14Å; N844-T848 VanDerWaalsContact O-OG1 3.13Å |
| 845 | S | 84 | Confident | 86.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.7 | 66 | 0 | 0 | 0 | 0 | 111.8 | S474 A841 L842 K847 T848 A849 | S474-S845 WeakPolarHBondContact OG-CB 3.38Å; A841-S845 VanDerWaalsContact O-CB 3.23Å; A841-S845 WeakPolarHBondContact O-CB 3.46Å; A841-S845 PolarHBondContact O-N 2.98Å; A841-S845 PolarHBondContact O-OG 2.8Å; L842-S845 PolarHBondContact O-N 3.34Å; L842-S845 PolarHBondContact O-OG 2.95Å; S845-K847 VanDerWaalsContact C-N 3.33Å; S845-K847 PolarHBondContact O-N 2.94Å; S845-T848 PolarHBondContact O-N 2.66Å; S845-T848 PolarHBondContact O-OG1 3.06Å; S845-A849 WeakPolarHBondContact O-CB 3.41Å; S845-A849 PolarHBondContact O-N 3.08Å |
| 846 | A | 81 | Confident | 86.3 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -41 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L842 V843 N844 T848 V850 | L842-A846 WeakPolarHBondContact O-CB 2.99Å; L842-A846 PolarHBondContact O-N 3.3Å; V843-A846 PolarHBondContact O-N 2.9Å; N844-A846 VanDerWaalsContact C-N 3.35Å; N844-A846 PolarHBondContact O-N 2.94Å; A846-T848 VanDerWaalsContact C-N 3.34Å; A846-T848 PolarHBondContact O-N 3.47Å; A846-V850 WeakPolarHBondContact O-CB 3.47Å |
| 847 | K | 84.4 | Confident | 85.9 | Confident | 142 Ų | 142 | 37.3 Ų | 37.3 | 62% | 0.617 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.1 | -31.9 | 177.3 | -73.2 | 172.1 | -178.6 | 174 | 0 | 113.4 | V843 N844 S845 P851 | V843-K847 HydrophobicContact CG1-CD 4.2Å; V843-K847 WeakPolarHBondContact O-CG 3.2Å; V843-K847 PolarHBondContact O-N 2.68Å; N844-K847 WeakPolarHBondContact O-CB 3.46Å; N844-K847 PolarHBondContact O-N 2.75Å; N844-K847 VanDerWaalsContact O-N 3.17Å; S845-K847 VanDerWaalsContact C-N 3.33Å; S845-K847 PolarHBondContact O-N 2.94Å; K847-P851 VanDerWaalsContact O-CD 3.31Å; K847-P851 WeakPolarHBondContact O-CD 3.34Å; K847-P851 VanDerWaalsContact O-CG 3.31Å; K847-P851 WeakPolarHBondContact O-CG 3.49Å |
| 848 | T | 85.5 | Confident | 85.5 | Confident | 69 Ų | 69 | 39.9 Ų | 39.9 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -98.6 | -46.4 | -176.5 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | N844 S845 A846 V852 | N844-T848 PolarHBondContact O-N 2.83Å; N844-T848 PolarHBondContact O-OG1 3.14Å; N844-T848 VanDerWaalsContact O-OG1 3.13Å; S845-T848 PolarHBondContact O-N 2.66Å; S845-T848 PolarHBondContact O-OG1 3.06Å; A846-T848 VanDerWaalsContact C-N 3.34Å; A846-T848 PolarHBondContact O-N 3.47Å; T848-V852 WeakPolarHBondContact O-CB 3.44Å; T848-V852 WeakPolarHBondContact O-CG2 3.33Å; T848-V852 PolarHBondContact O-N 3.23Å |
| 849 | A | 81.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.2 | -41.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S845 V852 A853 T905 | S845-A849 WeakPolarHBondContact O-CB 3.41Å; S845-A849 PolarHBondContact O-N 3.08Å; A849-V852 PolarHBondContact O-N 3.27Å; A849-A853 WeakPolarHBondContact O-CB 3.16Å; A849-A853 PolarHBondContact O-N 2.69Å; A849-T905 HydrophobicContact CB-CG2 4.42Å |
| 850 | V | 79.6 | Confident | 85.2 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -51.6 | -178.1 | 166.8 | 0 | 0 | 0 | 0 | 111.7 | A846 V852 A853 I854 I904 I908 | A846-V850 WeakPolarHBondContact O-CB 3.47Å; V850-V852 VanDerWaalsContact C-N 3.32Å; V850-V852 PolarHBondContact O-N 3.45Å; V850-A853 PolarHBondContact O-N 2.79Å; V850-I854 HydrophobicContact CG1-CD1 4.02Å; V850-I854 WeakPolarHBondContact O-CG1 3.37Å; V850-I854 PolarHBondContact O-N 3.31Å; V850-I904 HydrophobicContact CG2-CG2 4.49Å; V850-I908 HydrophobicContact CB-CD1 4.04Å; V850-I908 HydrophobicContact CG1-CD1 3.74Å; V850-I908 HydrophobicContact CG2-CD1 3.95Å |
| 851 | P | 84.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 42 Ų | 42 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.7 | -25 | 36.4 | 0 | 0 | 0 | 113.3 | K847 I854 S855 | K847-P851 VanDerWaalsContact O-CD 3.31Å; K847-P851 WeakPolarHBondContact O-CD 3.34Å; K847-P851 VanDerWaalsContact O-CG 3.31Å; K847-P851 WeakPolarHBondContact O-CG 3.49Å; P851-I854 PolarHBondContact O-N 2.7Å; P851-S855 VanDerWaalsContact O-CB 3.28Å; P851-S855 WeakPolarHBondContact O-CB 3.32Å; P851-S855 PolarHBondContact O-N 3.17Å; P851-S855 PolarHBondContact O-OG 2.84Å |
| 852 | V | 87.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 177.9 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L473 T848 A849 V850 S855 L856 | L473-V852 HydrophobicContact CD1-CB 4.24Å; L473-V852 HydrophobicContact CD1-CG1 3.94Å; L473-V852 HydrophobicContact CD1-CG2 4.12Å; T848-V852 WeakPolarHBondContact O-CB 3.44Å; T848-V852 WeakPolarHBondContact O-CG2 3.33Å; T848-V852 PolarHBondContact O-N 3.23Å; A849-V852 PolarHBondContact O-N 3.27Å; V850-V852 VanDerWaalsContact C-N 3.32Å; V850-V852 PolarHBondContact O-N 3.45Å; V852-S855 PolarHBondContact O-N 3.42Å; V852-L856 HydrophobicContact CG1-CD1 3.78Å; V852-L856 WeakPolarHBondContact O-CB 3.34Å; V852-L856 PolarHBondContact O-N 3.08Å |
| 853 | A | 82.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A849 V850 S855 L856 S857 I908 | A849-A853 WeakPolarHBondContact O-CB 3.16Å; A849-A853 PolarHBondContact O-N 2.69Å; V850-A853 PolarHBondContact O-N 2.79Å; A853-S855 VanDerWaalsContact C-N 3.35Å; A853-S855 PolarHBondContact O-N 3.4Å; A853-L856 PolarHBondContact O-N 3.17Å; A853-S857 WeakPolarHBondContact O-CB 3.35Å; A853-S857 PolarHBondContact O-N 2.98Å; A853-S857 PolarHBondContact O-OG 2.76Å; A853-S857 VanDerWaalsContact O-OG 3.13Å; A853-I908 HydrophobicContact CB-CD1 4.3Å; A853-I908 HydrophobicContact CB-CG2 4.23Å |
| 854 | I | 82.9 | Confident | 84.3 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177 | -66.7 | 169.9 | 0 | 0 | 0 | 110.4 | V850 P851 S857 I858 I908 | V850-I854 HydrophobicContact CG1-CD1 4.02Å; V850-I854 WeakPolarHBondContact O-CG1 3.37Å; V850-I854 PolarHBondContact O-N 3.31Å; P851-I854 PolarHBondContact O-N 2.7Å; I854-S857 PolarHBondContact O-N 3.19Å; I854-I858 HydrophobicContact CG2-CD1 3.75Å; I854-I858 HydrophobicContact CG2-CG1 4.37Å; I854-I858 VanDerWaalsContact O-CG1 3.23Å; I854-I858 WeakPolarHBondContact O-CG1 3.44Å; I854-I858 PolarHBondContact O-N 2.92Å; I854-I908 HydrophobicContact CG1-CD1 4.34Å; I854-I908 HydrophobicContact CG1-CG2 3.82Å |
| 855 | S | 88.2 | Confident | 84 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | -179.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | P851 V852 A853 I858 V859 | P851-S855 VanDerWaalsContact O-CB 3.28Å; P851-S855 WeakPolarHBondContact O-CB 3.32Å; P851-S855 PolarHBondContact O-N 3.17Å; P851-S855 PolarHBondContact O-OG 2.84Å; V852-S855 PolarHBondContact O-N 3.42Å; A853-S855 VanDerWaalsContact C-N 3.35Å; A853-S855 PolarHBondContact O-N 3.4Å; S855-I858 PolarHBondContact O-N 3.41Å; S855-V859 WeakPolarHBondContact O-CG2 3.36Å; S855-V859 PolarHBondContact O-N 3.02Å |
| 856 | L | 85.8 | Confident | 84.1 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.4 | -102.6 | 142.2 | 0 | 0 | 0 | 111.5 | A466 V852 A853 I858 V859 I860 | A466-L856 HydrophobicContact CB-CB 4.4Å; A466-L856 HydrophobicContact CB-CD2 4.3Å; V852-L856 HydrophobicContact CG1-CD1 3.78Å; V852-L856 WeakPolarHBondContact O-CB 3.34Å; V852-L856 PolarHBondContact O-N 3.08Å; A853-L856 PolarHBondContact O-N 3.17Å; L856-I858 PolarHBondContact O-N 3.2Å; L856-V859 PolarHBondContact O-N 3.19Å; L856-I860 VanDerWaalsContact O-CG1 3.29Å; L856-I860 WeakPolarHBondContact O-CG1 3.48Å; L856-I860 PolarHBondContact O-N 3.3Å |
| 857 | S | 81.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | A853 I854 V859 I860 L861 | A853-S857 WeakPolarHBondContact O-CB 3.35Å; A853-S857 PolarHBondContact O-N 2.98Å; A853-S857 PolarHBondContact O-OG 2.76Å; A853-S857 VanDerWaalsContact O-OG 3.13Å; I854-S857 PolarHBondContact O-N 3.19Å; S857-V859 VanDerWaalsContact C-N 3.33Å; S857-V859 PolarHBondContact O-N 3.24Å; S857-I860 PolarHBondContact O-N 3.22Å; S857-L861 WeakPolarHBondContact O-CB 3.3Å; S857-L861 WeakPolarHBondContact O-CG 3.23Å; S857-L861 PolarHBondContact O-N 2.87Å |
| 858 | I | 84.3 | Confident | 84.5 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 176 | -67 | 166.6 | 0 | 0 | 0 | 111.2 | I854 S855 L856 L861 L862 T875 | I854-I858 HydrophobicContact CG2-CD1 3.75Å; I854-I858 HydrophobicContact CG2-CG1 4.37Å; I854-I858 VanDerWaalsContact O-CG1 3.23Å; I854-I858 WeakPolarHBondContact O-CG1 3.44Å; I854-I858 PolarHBondContact O-N 2.92Å; S855-I858 PolarHBondContact O-N 3.41Å; L856-I858 PolarHBondContact O-N 3.2Å; I858-L861 PolarHBondContact O-N 3.3Å; I858-L862 WeakPolarHBondContact O-CB 3.02Å; I858-L862 PolarHBondContact O-N 2.93Å; I858-T875 HydrophobicContact CD1-CG2 4.35Å; I858-T875 HydrophobicContact CG1-CG2 3.63Å |
| 859 | V | 88.6 | Confident | 84.7 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 179.8 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | S855 L856 S857 L861 L862 I863 | S855-V859 WeakPolarHBondContact O-CG2 3.36Å; S855-V859 PolarHBondContact O-N 3.02Å; L856-V859 PolarHBondContact O-N 3.19Å; S857-V859 VanDerWaalsContact C-N 3.33Å; S857-V859 PolarHBondContact O-N 3.24Å; V859-L861 VanDerWaalsContact C-N 3.33Å; V859-L861 PolarHBondContact O-N 3.3Å; V859-L862 PolarHBondContact O-N 3.15Å; V859-I863 HydrophobicContact CG1-CD1 3.75Å; V859-I863 HydrophobicContact CG1-CG1 4.47Å; V859-I863 VanDerWaalsContact O-CG1 3.24Å; V859-I863 WeakPolarHBondContact O-CG1 3.39Å; V859-I863 PolarHBondContact O-N 2.9Å |
| 860 | I | 85.1 | Confident | 85.1 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 178 | -66.7 | 165.3 | 0 | 0 | 0 | 110.4 | I459 A462 T463 A466 L856 S857 L862 I863 M864 | I459-I860 HydrophobicContact CG2-CG2 4.48Å; A462-I860 HydrophobicContact CB-CG2 4.45Å; T463-I860 HydrophobicContact CG2-CB 4.21Å; T463-I860 HydrophobicContact CG2-CD1 4.36Å; T463-I860 HydrophobicContact CG2-CG2 3.88Å; A466-I860 HydrophobicContact CB-CD1 3.95Å; L856-I860 VanDerWaalsContact O-CG1 3.29Å; L856-I860 WeakPolarHBondContact O-CG1 3.48Å; L856-I860 PolarHBondContact O-N 3.3Å; S857-I860 PolarHBondContact O-N 3.22Å; I860-L862 PolarHBondContact O-N 3.45Å; I860-I863 PolarHBondContact O-N 3.24Å; I860-M864 WeakPolarHBondContact O-CB 3.35Å; I860-M864 WeakPolarHBondContact O-CG 3.33Å; I860-M864 PolarHBondContact O-N 3.08Å |
| 861 | L | 82.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.7 | -71 | 173.5 | 0 | 0 | 0 | 112.8 | I459 S857 I858 V859 M864 T865 T871 T874 T875 F912 L916 | I459-L861 HydrophobicContact CG2-CD2 4.42Å; S857-L861 WeakPolarHBondContact O-CB 3.3Å; S857-L861 WeakPolarHBondContact O-CG 3.23Å; S857-L861 PolarHBondContact O-N 2.87Å; I858-L861 PolarHBondContact O-N 3.3Å; V859-L861 VanDerWaalsContact C-N 3.33Å; V859-L861 PolarHBondContact O-N 3.3Å; L861-M864 PolarHBondContact O-N 3.43Å; L861-T865 WeakPolarHBondContact O-CB 3.03Å; L861-T865 WeakPolarHBondContact O-CG2 3.43Å; L861-T865 PolarHBondContact O-N 3.26Å; L861-T865 PolarHBondContact O-OG1 3.27Å; L861-T871 HydrophobicContact CB-CG2 4.02Å; L861-T874 HydrophobicContact CD1-CG2 3.91Å; L861-T874 HydrophobicContact CD2-CG2 4.47Å; L861-T875 HydrophobicContact CD1-CG2 4.41Å; L861-F912 HydrophobicContact CD1-CD1 3.74Å; L861-F912 HydrophobicContact CD1-CE1 3.64Å; L861-L916 HydrophobicContact CD2-CD1 4.06Å; L861-L916 HydrophobicContact CD2-CD2 3.07Å; L861-L916 HydrophobicContact CD2-CG 3.78Å |
| 862 | L | 87.7 | Confident | 85.9 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | -179.4 | -172.6 | 77.5 | 0 | 0 | 0 | 111.4 | I858 V859 I860 M864 R866 W868 T871 | I858-L862 WeakPolarHBondContact O-CB 3.02Å; I858-L862 PolarHBondContact O-N 2.93Å; V859-L862 PolarHBondContact O-N 3.15Å; I860-L862 PolarHBondContact O-N 3.45Å; L862-M864 PolarHBondContact O-N 2.78Å; L862-R866 PolarHBondContact O-N 2.97Å; L862-R866 VanDerWaalsContact O-N 3.07Å; L862-W868 HydrophobicContact CD1-CE3 3.84Å; L862-W868 HydrophobicContact CD1-CZ3 4.44Å; L862-T871 HydrophobicContact CB-CG2 4.34Å; L862-T871 HydrophobicContact CD1-CG2 4.34Å |
| 863 | I | 85.9 | Confident | 86.2 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -39 | -179.9 | -67.7 | 167.8 | 0 | 0 | 0 | 110.4 | V859 I860 | V859-I863 HydrophobicContact CG1-CD1 3.75Å; V859-I863 HydrophobicContact CG1-CG1 4.47Å; V859-I863 VanDerWaalsContact O-CG1 3.24Å; V859-I863 WeakPolarHBondContact O-CG1 3.39Å; V859-I863 PolarHBondContact O-N 2.9Å; I860-I863 PolarHBondContact O-N 3.24Å |
| 864 | M | 79.5 | Confident | 86.6 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -85.4 | -43.7 | -171.2 | -66.9 | -73.2 | 141.6 | 0 | 0 | 112.9 | F458 I459 I860 L861 L862 | F458-M864 HydrophobicContact CD1-SD 4.45Å; F458-M864 HydrophobicContact CE1-CE 4.11Å; I459-M864 HydrophobicContact CD1-CB 3.69Å; I459-M864 HydrophobicContact CD1-CG 4.07Å; I459-M864 HydrophobicContact CD1-SD 4.39Å; I459-M864 HydrophobicContact CG1-CB 3.97Å; I459-M864 HydrophobicContact CG1-CG 3.78Å; I459-M864 HydrophobicContact CG1-SD 4.08Å; I860-M864 WeakPolarHBondContact O-CB 3.35Å; I860-M864 WeakPolarHBondContact O-CG 3.33Å; I860-M864 PolarHBondContact O-N 3.08Å; L861-M864 PolarHBondContact O-N 3.43Å; L862-M864 PolarHBondContact O-N 2.78Å |
| 865 | T | 82 | Confident | 86.9 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.2 | -25.5 | -179.4 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | L861 D867 L870 T871 I923 | L861-T865 WeakPolarHBondContact O-CB 3.03Å; L861-T865 WeakPolarHBondContact O-CG2 3.43Å; L861-T865 PolarHBondContact O-N 3.26Å; L861-T865 PolarHBondContact O-OG1 3.27Å; T865-D867 PolarHBondContact O-N 3.45Å; T865-L870 HydrophobicContact CG2-CD2 4.09Å; T865-T871 PolarHBondContact OG1-OG1 3.44Å; T865-I923 HydrophobicContact CG2-CD1 4.08Å |
| 866 | R | 85.6 | Confident | 87 | Confident | 228 Ų | 228 | 57.3 Ų | 57.3 | 86% | 0.86 | 28% | 0.277 | S | S | * | . | trans | 51.1 | 21 | -173.6 | -62.4 | -176.2 | 173.1 | 176.9 | -3.2 | 113.9 | L862 | L862-R866 PolarHBondContact O-N 2.97Å; L862-R866 VanDerWaalsContact O-N 3.07Å | ||
| 867 | D | 86.2 | Confident | 87.3 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | trans | -132.8 | 111.7 | -178 | -174.2 | -14 | 0 | 0 | 0 | 108.9 | T865 L869 L870 T871 R928 | T865-D867 PolarHBondContact O-N 3.45Å; D867-L869 VanDerWaalsContact C-N 3.3Å; D867-L869 PolarHBondContact O-N 3.41Å; D867-L869 PolarHBondContact OD1-N 2.87Å; D867-L870 HydrophobicContact CB-CB 4.05Å; D867-L870 PolarHBondContact O-N 3.24Å; D867-L870 PolarHBondContact OD1-N 3.15Å; D867-T871 WeakPolarHBondContact O-CB 3.45Å; D867-T871 PolarHBondContact O-N 3.2Å; D867-T871 PolarHBondContact O-OG1 3.07Å; D867-R928 VanDerWaalsContact CB-NH2 3.28Å; D867-R928 IonicContact OD2-CZ 3.38Å; D867-R928 IonicContact OD2-NE 2.75Å; D867-R928 IonicContact OD2-NH2 3.12Å; D867-R928 PolarHBondContact OD2-NH2 3.06Å | ||
| 868 | W | 88.2 | Confident | 87.7 | Confident | 172 Ų | 172 | 53.9 Ų | 53.9 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61 | -39.7 | 179.7 | 172 | -100.4 | 0 | 0 | 0 | 111.9 | L862 T871 L872 | L862-W868 HydrophobicContact CD1-CE3 3.84Å; L862-W868 HydrophobicContact CD1-CZ3 4.44Å; W868-T871 PolarHBondContact O-N 2.85Å; W868-L872 WeakPolarHBondContact O-CB 3.28Å; W868-L872 PolarHBondContact O-N 3.04Å |
| 869 | L | 90.6 | Very high | 87.9 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 45% | 0.445 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.9 | -44.7 | -176.5 | -177 | 63.4 | 0 | 0 | 0 | 110.6 | D867 T871 L872 M873 A996 | D867-L869 VanDerWaalsContact C-N 3.3Å; D867-L869 PolarHBondContact O-N 3.41Å; D867-L869 PolarHBondContact OD1-N 2.87Å; L869-T871 VanDerWaalsContact C-N 3.35Å; L869-L872 PolarHBondContact O-N 2.88Å; L869-M873 HydrophobicContact CD1-CE 3.73Å; L869-M873 HydrophobicContact CD1-SD 4.25Å; L869-M873 HydrophobicContact CG-CE 4.29Å; L869-M873 VanDerWaalsContact O-CG 3.27Å; L869-M873 WeakPolarHBondContact O-CG 3.34Å; L869-M873 PolarHBondContact O-N 3.03Å; L869-A996 HydrophobicContact CD2-CB 4.47Å |
| 870 | L | 89.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.7 | -172.7 | 64.4 | 0 | 0 | 0 | 111.1 | T865 D867 L872 M873 T874 A919 Y922 I923 F989 | T865-L870 HydrophobicContact CG2-CD2 4.09Å; D867-L870 HydrophobicContact CB-CB 4.05Å; D867-L870 PolarHBondContact O-N 3.24Å; D867-L870 PolarHBondContact OD1-N 3.15Å; L870-L872 VanDerWaalsContact C-N 3.34Å; L870-L872 PolarHBondContact O-N 3.15Å; L870-M873 PolarHBondContact O-N 2.99Å; L870-T874 PolarHBondContact O-N 3.42Å; L870-T874 PolarHBondContact O-OG1 2.78Å; L870-T874 VanDerWaalsContact O-OG1 3.13Å; L870-A919 HydrophobicContact CD1-CB 4.33Å; L870-A919 HydrophobicContact CD2-CB 4.17Å; L870-A919 HydrophobicContact CG-CB 4.32Å; L870-Y922 HydrophobicContact CD1-CD1 4.35Å; L870-I923 HydrophobicContact CD2-CD1 3.67Å; L870-I923 HydrophobicContact CD2-CG1 3.87Å; L870-F989 HydrophobicContact CD1-CE2 4.22Å; L870-F989 HydrophobicContact CD1-CZ 3.84Å |
| 871 | T | 89.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | L861 L862 T865 D867 W868 L869 M873 T874 T875 | L861-T871 HydrophobicContact CB-CG2 4.02Å; L862-T871 HydrophobicContact CB-CG2 4.34Å; L862-T871 HydrophobicContact CD1-CG2 4.34Å; T865-T871 PolarHBondContact OG1-OG1 3.44Å; D867-T871 WeakPolarHBondContact O-CB 3.45Å; D867-T871 PolarHBondContact O-N 3.2Å; D867-T871 PolarHBondContact O-OG1 3.07Å; W868-T871 PolarHBondContact O-N 2.85Å; L869-T871 VanDerWaalsContact C-N 3.35Å; T871-M873 PolarHBondContact O-N 3.16Å; T871-T874 PolarHBondContact O-N 2.97Å; T871-T875 HydrophobicContact CG2-CG2 4.23Å; T871-T875 WeakPolarHBondContact O-CG2 3.37Å; T871-T875 PolarHBondContact O-N 3.46Å; T871-T875 PolarHBondContact O-OG1 3.08Å |
| 872 | L | 91 | Very high | 88.8 | Confident | 67 Ų | 67 | 50 Ų | 50 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 177.9 | -177 | 66.8 | 0 | 0 | 0 | 111.2 | W868 L869 L870 T874 T875 V876 | W868-L872 WeakPolarHBondContact O-CB 3.28Å; W868-L872 PolarHBondContact O-N 3.04Å; L869-L872 PolarHBondContact O-N 2.88Å; L870-L872 VanDerWaalsContact C-N 3.34Å; L870-L872 PolarHBondContact O-N 3.15Å; L872-T874 VanDerWaalsContact C-N 3.34Å; L872-T874 PolarHBondContact O-N 3.31Å; L872-T875 WeakPolarHBondContact CA-OG1 3.38Å; L872-T875 PolarHBondContact O-N 3.39Å; L872-T875 PolarHBondContact O-OG1 3.33Å; L872-V876 HydrophobicContact CD1-CG2 4.41Å; L872-V876 WeakPolarHBondContact O-CG2 3.45Å; L872-V876 PolarHBondContact O-N 3.5Å |
| 873 | M | 92.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 18% | 0.177 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 178.5 | -62.3 | -31.1 | -161 | 0 | 0 | 111.9 | L869 L870 T871 T875 T877 F989 M992 A996 | L869-M873 HydrophobicContact CD1-CE 3.73Å; L869-M873 HydrophobicContact CD1-SD 4.25Å; L869-M873 HydrophobicContact CG-CE 4.29Å; L869-M873 VanDerWaalsContact O-CG 3.27Å; L869-M873 WeakPolarHBondContact O-CG 3.34Å; L869-M873 PolarHBondContact O-N 3.03Å; L870-M873 PolarHBondContact O-N 2.99Å; T871-M873 PolarHBondContact O-N 3.16Å; M873-T875 PolarHBondContact O-N 3.16Å; M873-T877 WeakPolarHBondContact O-CG2 3.37Å; M873-T877 PolarHBondContact O-N 3.19Å; M873-T877 VanDerWaalsContact O-N 3.14Å; M873-T877 PolarHBondContact O-OG1 2.9Å; M873-T877 VanDerWaalsContact O-OG1 3.1Å; M873-F989 HydrophobicContact CB-CD2 4.31Å; M873-F989 HydrophobicContact CB-CE2 4.1Å; M873-M992 HydrophobicContact CB-CE 3.79Å; M873-M992 HydrophobicContact CE-CE 4.24Å; M873-M992 HydrophobicContact CG-CB 4.37Å; M873-M992 HydrophobicContact CG-CE 3.86Å; M873-M992 HydrophobicContact SD-CE 3.15Å; M873-M992 WeakPolarHBondContact SD-CE 3.2Å; M873-A996 HydrophobicContact CE-CB 4.25Å |
| 874 | T | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 177 | -61 | 0 | 0 | 0 | 0 | 112.1 | L861 L870 T871 L872 T877 V878 F912 T915 F989 | L861-T874 HydrophobicContact CD1-CG2 3.91Å; L861-T874 HydrophobicContact CD2-CG2 4.47Å; L870-T874 PolarHBondContact O-N 3.42Å; L870-T874 PolarHBondContact O-OG1 2.78Å; L870-T874 VanDerWaalsContact O-OG1 3.13Å; T871-T874 PolarHBondContact O-N 2.97Å; L872-T874 VanDerWaalsContact C-N 3.34Å; L872-T874 PolarHBondContact O-N 3.31Å; T874-T877 WeakPolarHBondContact CA-OG1 3.41Å; T874-T877 PolarHBondContact O-N 3.18Å; T874-T877 PolarHBondContact O-OG1 3.02Å; T874-V878 WeakPolarHBondContact O-CG2 3.39Å; T874-V878 PolarHBondContact O-N 3.14Å; T874-V878 VanDerWaalsContact O-N 3.08Å; T874-F912 HydrophobicContact CG2-CD1 4.24Å; T874-T915 HydrophobicContact CG2-CG2 3.77Å; T874-F989 VanDerWaalsContact OG1-CE2 3.3Å; T874-F989 WeakPolarHBondContact OG1-CE2 3.26Å |
| 875 | T | 88.7 | Confident | 89.7 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | I858 L861 T871 L872 M873 V878 T879 | I858-T875 HydrophobicContact CD1-CG2 4.35Å; I858-T875 HydrophobicContact CG1-CG2 3.63Å; L861-T875 HydrophobicContact CD1-CG2 4.41Å; T871-T875 HydrophobicContact CG2-CG2 4.23Å; T871-T875 WeakPolarHBondContact O-CG2 3.37Å; T871-T875 PolarHBondContact O-N 3.46Å; T871-T875 PolarHBondContact O-OG1 3.08Å; L872-T875 WeakPolarHBondContact CA-OG1 3.38Å; L872-T875 PolarHBondContact O-N 3.39Å; L872-T875 PolarHBondContact O-OG1 3.33Å; M873-T875 PolarHBondContact O-N 3.16Å; T875-V878 PolarHBondContact O-N 3.49Å; T875-T879 WeakPolarHBondContact O-CB 3.46Å; T875-T879 PolarHBondContact O-N 3.08Å; T875-T879 PolarHBondContact O-OG1 2.88Å |
| 876 | V | 90.9 | Very high | 90 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | L579 L872 V878 T879 V880 M992 | L579-V876 HydrophobicContact CD1-CG1 4.38Å; L872-V876 HydrophobicContact CD1-CG2 4.41Å; L872-V876 WeakPolarHBondContact O-CG2 3.45Å; L872-V876 PolarHBondContact O-N 3.5Å; V876-V878 PolarHBondContact O-N 3.06Å; V876-T879 PolarHBondContact O-N 3.35Å; V876-V880 WeakPolarHBondContact O-CB 3.39Å; V876-V880 WeakPolarHBondContact O-CG2 3.19Å; V876-V880 PolarHBondContact O-N 2.79Å; V876-V880 VanDerWaalsContact O-N 3.1Å; V876-M992 HydrophobicContact CB-CE 4.32Å; V876-M992 HydrophobicContact CG1-CE 4.31Å |
| 877 | T | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | -179.1 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | M873 T874 A881 T915 L988 F989 M992 | M873-T877 WeakPolarHBondContact O-CG2 3.37Å; M873-T877 PolarHBondContact O-N 3.19Å; M873-T877 VanDerWaalsContact O-N 3.14Å; M873-T877 PolarHBondContact O-OG1 2.9Å; M873-T877 VanDerWaalsContact O-OG1 3.1Å; T874-T877 WeakPolarHBondContact CA-OG1 3.41Å; T874-T877 PolarHBondContact O-N 3.18Å; T874-T877 PolarHBondContact O-OG1 3.02Å; T877-A881 WeakPolarHBondContact O-CB 3.25Å; T877-A881 PolarHBondContact O-N 3.26Å; T877-T915 WeakPolarHBondContact OG1-CG2 3.43Å; T877-L988 HydrophobicContact CG2-CB 4.18Å; T877-L988 HydrophobicContact CG2-CD2 3.77Å; T877-L988 HydrophobicContact CG2-CG 3.68Å; T877-F989 HydrophobicContact CG2-CB 3.64Å; T877-F989 HydrophobicContact CG2-CD2 4.14Å; T877-F989 HydrophobicContact CG2-CG 4.41Å; T877-M992 HydrophobicContact CG2-SD 3.77Å |
| 878 | V | 90.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.2 | -39.5 | -178.2 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | T874 T875 V876 V880 A881 I882 F912 | T874-V878 WeakPolarHBondContact O-CG2 3.39Å; T874-V878 PolarHBondContact O-N 3.14Å; T874-V878 VanDerWaalsContact O-N 3.08Å; T875-V878 PolarHBondContact O-N 3.49Å; V876-V878 PolarHBondContact O-N 3.06Å; V878-V880 VanDerWaalsContact C-N 3.33Å; V878-V880 PolarHBondContact O-N 3.48Å; V878-A881 PolarHBondContact O-N 3.01Å; V878-I882 HydrophobicContact CG1-CD1 3.63Å; V878-I882 HydrophobicContact CG1-CG1 4.22Å; V878-I882 WeakPolarHBondContact O-CD1 3.17Å; V878-I882 VanDerWaalsContact O-CG1 3.29Å; V878-I882 WeakPolarHBondContact O-CG1 3.4Å; V878-I882 PolarHBondContact O-N 2.91Å; V878-F912 HydrophobicContact CB-CD1 4.04Å; V878-F912 HydrophobicContact CB-CE1 3.72Å; V878-F912 HydrophobicContact CB-CE2 4.48Å; V878-F912 HydrophobicContact CB-CZ 3.95Å; V878-F912 HydrophobicContact CG1-CD1 3.98Å; V878-F912 HydrophobicContact CG1-CD2 3.88Å; V878-F912 HydrophobicContact CG1-CE1 3.67Å; V878-F912 HydrophobicContact CG1-CE2 3.53Å; V878-F912 HydrophobicContact CG1-CG 4.06Å; V878-F912 HydrophobicContact CG1-CZ 3.42Å; V878-F912 VanDerWaalsContact CG1-CZ 3.42Å; V878-F912 HydrophobicContact CG2-CD1 3.57Å; V878-F912 HydrophobicContact CG2-CE1 3.78Å; V878-F912 HydrophobicContact CG2-CG 4.05Å; V878-F912 HydrophobicContact CG2-CZ 4.41Å |
| 879 | T | 88.7 | Confident | 90.4 | Very high | 52 Ų | 52 | 26.8 Ų | 26.8 | 32% | 0.319 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | T875 V876 I882 F883 | T875-T879 WeakPolarHBondContact O-CB 3.46Å; T875-T879 PolarHBondContact O-N 3.08Å; T875-T879 PolarHBondContact O-OG1 2.88Å; V876-T879 PolarHBondContact O-N 3.35Å; T879-I882 PolarHBondContact O-N 3.27Å; T879-F883 HydrophobicContact CG2-CD2 3.94Å; T879-F883 HydrophobicContact CG2-CE2 3.56Å; T879-F883 WeakPolarHBondContact O-CD2 3.42Å; T879-F883 PolarHBondContact O-N 3.41Å; T879-F883 VanDerWaalsContact O-N 3.15Å |
| 880 | V | 91.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.2 | 160.1 | 0 | 0 | 0 | 0 | 111.8 | L579 G582 V876 V878 I882 F883 F884 F984 L988 | L579-V880 HydrophobicContact CD1-CG2 4.21Å; G582-V880 VanDerWaalsContact CA-CG1 3.44Å; V876-V880 WeakPolarHBondContact O-CB 3.39Å; V876-V880 WeakPolarHBondContact O-CG2 3.19Å; V876-V880 PolarHBondContact O-N 2.79Å; V876-V880 VanDerWaalsContact O-N 3.1Å; V878-V880 VanDerWaalsContact C-N 3.33Å; V878-V880 PolarHBondContact O-N 3.48Å; V880-I882 PolarHBondContact O-N 3.38Å; V880-F883 PolarHBondContact O-N 2.67Å; V880-F884 PolarHBondContact O-N 3.19Å; V880-F984 HydrophobicContact CG1-CD1 3.75Å; V880-F984 HydrophobicContact CG1-CE1 3.33Å; V880-F984 HydrophobicContact CG1-CZ 4.18Å; V880-L988 HydrophobicContact CB-CD2 4.45Å; V880-L988 HydrophobicContact CG1-CD2 4.15Å |
| 881 | A | 92.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T877 V878 F884 L885 V980 F984 | T877-A881 WeakPolarHBondContact O-CB 3.25Å; T877-A881 PolarHBondContact O-N 3.26Å; V878-A881 PolarHBondContact O-N 3.01Å; A881-F884 PolarHBondContact O-N 2.86Å; A881-L885 WeakPolarHBondContact O-CB 3.46Å; A881-L885 PolarHBondContact O-N 3.21Å; A881-V980 HydrophobicContact CB-CG1 4.36Å; A881-F984 HydrophobicContact CB-CB 3.91Å; A881-F984 HydrophobicContact CB-CD2 4.02Å; A881-F984 HydrophobicContact CB-CG 3.92Å |
| 882 | I | 89.6 | Confident | 90 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.7 | -69 | 159.5 | 0 | 0 | 0 | 110.7 | V878 T879 V880 F884 L885 L886 I908 | V878-I882 HydrophobicContact CG1-CD1 3.63Å; V878-I882 HydrophobicContact CG1-CG1 4.22Å; V878-I882 WeakPolarHBondContact O-CD1 3.17Å; V878-I882 VanDerWaalsContact O-CG1 3.29Å; V878-I882 WeakPolarHBondContact O-CG1 3.4Å; V878-I882 PolarHBondContact O-N 2.91Å; T879-I882 PolarHBondContact O-N 3.27Å; V880-I882 PolarHBondContact O-N 3.38Å; I882-F884 VanDerWaalsContact C-N 3.3Å; I882-F884 PolarHBondContact O-N 3.32Å; I882-L885 PolarHBondContact O-N 3.1Å; I882-L886 HydrophobicContact CG2-CD1 4.09Å; I882-L886 HydrophobicContact CG2-CG 4.35Å; I882-L886 WeakPolarHBondContact O-CG 3.38Å; I882-L886 PolarHBondContact O-N 2.88Å; I882-I908 HydrophobicContact CD1-CB 4.27Å; I882-I908 HydrophobicContact CD1-CG1 4Å; I882-I908 HydrophobicContact CD1-CG2 4.18Å |
| 883 | F | 89.4 | Confident | 89.7 | Confident | 65 Ų | 65 | 39 Ų | 39 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 177.1 | -76.1 | -62.2 | 0 | 0 | 0 | 112.3 | C586 T879 V880 L886 E887 | C586-F883 HydrophobicContact CB-CB 4.27Å; C586-F883 HydrophobicContact CB-CD1 4.35Å; C586-F883 HydrophobicContact CB-CD2 4.01Å; C586-F883 HydrophobicContact CB-CE2 4.45Å; C586-F883 HydrophobicContact CB-CG 3.96Å; T879-F883 HydrophobicContact CG2-CD2 3.94Å; T879-F883 HydrophobicContact CG2-CE2 3.56Å; T879-F883 WeakPolarHBondContact O-CD2 3.42Å; T879-F883 PolarHBondContact O-N 3.41Å; T879-F883 VanDerWaalsContact O-N 3.15Å; V880-F883 PolarHBondContact O-N 2.67Å; F883-L886 PolarHBondContact O-N 3.23Å; F883-E887 PolarHBondContact O-N 3.37Å |
| 884 | F | 92.2 | Very high | 89.1 | Confident | 48 Ų | 48 | 38.6 Ų | 38.6 | 21% | 0.211 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.6 | -173.9 | -88.2 | 0 | 0 | 0 | 112.1 | L581 C585 V880 A881 I882 E887 C888 V980 F984 | L581-F884 HydrophobicContact CD1-CD2 4.47Å; L581-F884 HydrophobicContact CD1-CE2 4.03Å; L581-F884 HydrophobicContact CD2-CD2 3.94Å; L581-F884 HydrophobicContact CD2-CE2 3.55Å; L581-F884 HydrophobicContact CD2-CZ 4.38Å; L581-F884 HydrophobicContact CG-CD2 3.85Å; L581-F884 HydrophobicContact CG-CE2 3.74Å; C585-F884 VanDerWaalsContact SG-CD2 3.51Å; V880-F884 PolarHBondContact O-N 3.19Å; A881-F884 PolarHBondContact O-N 2.86Å; I882-F884 VanDerWaalsContact C-N 3.3Å; I882-F884 PolarHBondContact O-N 3.32Å; F884-E887 PolarHBondContact O-N 3.34Å; F884-C888 WeakPolarHBondContact CE1-SG 3.48Å; F884-C888 PolarHBondContact O-N 3.19Å; F884-C888 PolarHBondContact O-SG 2.82Å; F884-V980 HydrophobicContact CD1-CB 4.43Å; F884-V980 HydrophobicContact CD1-CG1 3.79Å; F884-V980 HydrophobicContact CD1-CG2 3.72Å; F884-V980 HydrophobicContact CE1-CG2 3.81Å; F884-F984 HydrophobicContact CB-CE2 3.82Å; F884-F984 HydrophobicContact CB-CZ 3.83Å; F884-F984 AromaticContact CD1-CE2 3.82Å; F884-F984 HydrophobicContact CD1-CE2 3.82Å; F884-F984 HydrophobicContact CD1-CZ 4.4Å; F884-F984 HydrophobicContact CD2-CE2 4.24Å; F884-F984 HydrophobicContact CD2-CZ 4.01Å; F884-F984 HydrophobicContact CE1-CE2 4.49Å; F884-F984 AromaticContact CG-CE2 3.67Å; F884-F984 HydrophobicContact CG-CE2 3.67Å; F884-F984 AromaticContact CG-CZ 3.8Å; F884-F984 HydrophobicContact CG-CZ 3.8Å |
| 885 | L | 91.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 177.1 | -177.4 | 66.2 | 0 | 0 | 0 | 111.4 | A881 I882 E887 C888 L889 A907 F973 L976 L977 V980 | A881-L885 WeakPolarHBondContact O-CB 3.46Å; A881-L885 PolarHBondContact O-N 3.21Å; I882-L885 PolarHBondContact O-N 3.1Å; L885-E887 VanDerWaalsContact C-N 3.32Å; L885-E887 PolarHBondContact O-N 2.82Å; L885-C888 WeakPolarHBondContact O-CB 3.48Å; L885-C888 PolarHBondContact O-N 3.4Å; L885-L889 WeakPolarHBondContact O-CG 3.5Å; L885-L889 PolarHBondContact O-N 3.37Å; L885-A907 HydrophobicContact CD2-CB 3.64Å; L885-F973 HydrophobicContact CD2-CE2 3.9Å; L885-L976 HydrophobicContact CD1-CB 3.8Å; L885-L977 HydrophobicContact CD2-CD1 3.9Å; L885-V980 HydrophobicContact CB-CG1 4.41Å; L885-V980 HydrophobicContact CD1-CG2 4.41Å |
| 886 | L | 87.7 | Confident | 88.2 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.3 | -70.7 | 175.1 | 0 | 0 | 0 | 111.5 | V589 I882 F883 C888 L889 L890 I904 | V589-L886 HydrophobicContact CG2-CB 4.37Å; I882-L886 HydrophobicContact CG2-CD1 4.09Å; I882-L886 HydrophobicContact CG2-CG 4.35Å; I882-L886 WeakPolarHBondContact O-CG 3.38Å; I882-L886 PolarHBondContact O-N 2.88Å; F883-L886 PolarHBondContact O-N 3.23Å; L886-C888 VanDerWaalsContact C-N 3.35Å; L886-C888 PolarHBondContact O-N 2.94Å; L886-L889 WeakPolarHBondContact O-CB 3.42Å; L886-L889 PolarHBondContact O-N 3.35Å; L886-L889 VanDerWaalsContact O-N 3.15Å; L886-L890 WeakPolarHBondContact O-CG 3.27Å; L886-L890 PolarHBondContact O-N 3.39Å; L886-I904 HydrophobicContact CD2-CB 4.47Å; L886-I904 HydrophobicContact CD2-CD1 4.13Å; L886-I904 HydrophobicContact CD2-CG1 3.8Å; L886-I904 HydrophobicContact CD2-CG2 3.96Å |
| 887 | E | 89.1 | Confident | 87.9 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.9 | -173.4 | 61.1 | -162.3 | 0 | 0 | 111.9 | C585 V589 F883 F884 L885 L889 L890 L891 | C585-E887 HydrophobicContact CB-CB 4.13Å; C585-E887 HydrophobicContact CB-CG 4.48Å; V589-E887 HydrophobicContact CG2-CB 4.21Å; V589-E887 WeakPolarHBondContact CG2-OE2 3.49Å; F883-E887 PolarHBondContact O-N 3.37Å; F884-E887 PolarHBondContact O-N 3.34Å; L885-E887 VanDerWaalsContact C-N 3.32Å; L885-E887 PolarHBondContact O-N 2.82Å; E887-L889 VanDerWaalsContact C-N 3.28Å; E887-L889 PolarHBondContact O-N 3.45Å; E887-L890 PolarHBondContact O-N 3.47Å; E887-L891 WeakPolarHBondContact O-CG 2.98Å; E887-L891 PolarHBondContact O-N 3.03Å |
| 888 | C | 91 | Very high | 87.3 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | F884 L885 L886 L891 L892 | F884-C888 WeakPolarHBondContact CE1-SG 3.48Å; F884-C888 PolarHBondContact O-N 3.19Å; F884-C888 PolarHBondContact O-SG 2.82Å; L885-C888 WeakPolarHBondContact O-CB 3.48Å; L885-C888 PolarHBondContact O-N 3.4Å; L886-C888 VanDerWaalsContact C-N 3.35Å; L886-C888 PolarHBondContact O-N 2.94Å; C888-L891 PolarHBondContact O-N 3.4Å; C888-L892 WeakPolarHBondContact O-CG 3.4Å; C888-L892 PolarHBondContact O-N 2.86Å |
| 889 | L | 88.2 | Confident | 86.9 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 177.5 | -63.5 | 175.3 | 0 | 0 | 0 | 111.8 | L885 L886 E887 L892 W894 L976 | L885-L889 WeakPolarHBondContact O-CG 3.5Å; L885-L889 PolarHBondContact O-N 3.37Å; L886-L889 WeakPolarHBondContact O-CB 3.42Å; L886-L889 PolarHBondContact O-N 3.35Å; L886-L889 VanDerWaalsContact O-N 3.15Å; E887-L889 VanDerWaalsContact C-N 3.28Å; E887-L889 PolarHBondContact O-N 3.45Å; L889-L892 PolarHBondContact O-N 3.4Å; L889-W894 HydrophobicContact CD2-CD2 4.31Å; L889-W894 HydrophobicContact CD2-CE3 4.01Å; L889-W894 HydrophobicContact CD2-CH2 4.07Å; L889-W894 HydrophobicContact CD2-CZ2 4.43Å; L889-W894 HydrophobicContact CD2-CZ3 3.88Å; L889-W894 PolarHBondContact O-N 2.79Å; L889-L976 HydrophobicContact CD2-CD1 3.98Å |
| 890 | L | 85.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.8 | -69.5 | 174.6 | 0 | 0 | 0 | 112.3 | V589 V595 L886 E887 L892 Q893 | V589-L890 HydrophobicContact CG2-CD1 4.12Å; V595-L890 HydrophobicContact CG2-CD2 4.12Å; L886-L890 WeakPolarHBondContact O-CG 3.27Å; L886-L890 PolarHBondContact O-N 3.39Å; E887-L890 PolarHBondContact O-N 3.47Å; L890-L892 PolarHBondContact O-N 3.17Å; L890-Q893 WeakPolarHBondContact O-CA 3.45Å; L890-Q893 PolarHBondContact O-N 2.83Å |
| 891 | L | 87.5 | Confident | 86.2 | Confident | 127 Ų | 127 | 39 Ų | 39 | 67% | 0.665 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63 | -28.3 | 175 | -71.6 | 173.9 | 0 | 0 | 0 | 112.6 | E887 C888 Q893 | E887-L891 WeakPolarHBondContact O-CG 2.98Å; E887-L891 PolarHBondContact O-N 3.03Å; C888-L891 PolarHBondContact O-N 3.4Å; L891-Q893 PolarHBondContact O-N 2.96Å |
| 892 | L | 87.8 | Confident | 85.7 | Confident | 87 Ų | 87 | 39 Ų | 39 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.6 | 172.1 | -70.5 | 169.7 | 0 | 0 | 0 | 113.5 | C888 L889 L890 W894 V972 L976 | C888-L892 WeakPolarHBondContact O-CG 3.4Å; C888-L892 PolarHBondContact O-N 2.86Å; L889-L892 PolarHBondContact O-N 3.4Å; L890-L892 PolarHBondContact O-N 3.17Å; L892-W894 VanDerWaalsContact C-N 3.31Å; L892-W894 PolarHBondContact O-N 3.27Å; L892-V972 HydrophobicContact CD1-CG1 4.08Å; L892-L976 HydrophobicContact CD1-CD1 3.76Å |
| 893 | Q | 84.5 | Confident | 85.5 | Confident | 166 Ų | 166 | 38.5 Ų | 38.5 | 78% | 0.776 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 42.2 | -179.2 | -59.1 | -175.6 | -28.8 | 0 | 0 | 112.8 | L890 L891 | L890-Q893 WeakPolarHBondContact O-CA 3.45Å; L890-Q893 PolarHBondContact O-N 2.83Å; L891-Q893 PolarHBondContact O-N 2.96Å |
| 894 | W | 81.1 | Confident | 85.2 | Confident | 27 Ų | 27 | 37 Ų | 37 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | trans | -78.1 | 126.7 | 173.9 | -76.7 | 26.1 | 0 | 0 | 0 | 110.7 | L889 L892 E900 I903 Q969 V972 F973 | L889-W894 HydrophobicContact CD2-CD2 4.31Å; L889-W894 HydrophobicContact CD2-CE3 4.01Å; L889-W894 HydrophobicContact CD2-CH2 4.07Å; L889-W894 HydrophobicContact CD2-CZ2 4.43Å; L889-W894 HydrophobicContact CD2-CZ3 3.88Å; L889-W894 PolarHBondContact O-N 2.79Å; L892-W894 VanDerWaalsContact C-N 3.31Å; L892-W894 PolarHBondContact O-N 3.27Å; W894-E900 HydrophobicContact CE3-CG 3.96Å; W894-I903 HydrophobicContact CZ3-CD1 4.33Å; W894-Q969 HydrophobicContact CE3-CG 4.19Å; W894-Q969 VanDerWaalsContact CE3-NE2 3.29Å; W894-Q969 HydrophobicContact CH2-CB 4.24Å; W894-Q969 HydrophobicContact CH2-CG 3.1Å; W894-Q969 WeakPolarHBondContact CH2-O 3.29Å; W894-Q969 HydrophobicContact CZ2-CG 3.6Å; W894-Q969 HydrophobicContact CZ3-CG 3.41Å; W894-Q969 VanDerWaalsContact CZ3-CG 3.41Å; W894-V972 HydrophobicContact CZ2-CB 4.2Å; W894-V972 HydrophobicContact CZ2-CG1 4.06Å; W894-F973 HydrophobicContact CH2-CB 4.48Å | ||
| 895 | E | 80.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | trans | -85 | 133.1 | 169.7 | -64.9 | 167 | -137.7 | 0 | 0 | 108.1 | Q596 P598 R604 N897 E900 | Q596-E895 CarbonylContact O-C 3.49Å; Q596-E895 WeakPolarHBondContact O-CA 3.36Å; P598-E895 WeakPolarHBondContact CA-OE2 3.29Å; R604-E895 IonicContact CZ-OE1 3.31Å; R604-E895 IonicContact NH1-OE1 2.89Å; R604-E895 IonicContact NH2-OE1 3.53Å; R604-E895 PolarHBondContact NH2-OE1 3.42Å; E895-N897 PolarHBondContact O-N 3.32Å; E895-N897 VanDerWaalsContact O-N 3.17Å; E895-E900 WeakPolarHBondContact O-CG 3.36Å | ||
| 896 | V | 79.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 35 Ų | 35 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | trans | -78.6 | 108.7 | -178.1 | 162.6 | 0 | 0 | 0 | 0 | 111.3 | V595 Q596 P598 E900 T901 I904 | V595-V896 HydrophobicContact CB-CG2 4.48Å; V595-V896 HydrophobicContact CG1-CB 3.38Å; V595-V896 HydrophobicContact CG1-CG1 4.23Å; V595-V896 HydrophobicContact CG1-CG2 3.05Å; Q596-V896 PolarHBondContact O-N 2.84Å; P598-V896 WeakPolarHBondContact CD-O 3.27Å; V896-E900 HydrophobicContact CG2-CB 4.15Å; V896-T901 WeakPolarHBondContact CG1-OG1 3.19Å; V896-I904 HydrophobicContact CG2-CD1 3.88Å | ||
| 897 | N | 83.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | trans | -115.1 | -169.6 | 172.6 | -155.8 | -12.5 | 0 | 0 | 0 | 109.8 | F603 E895 I899 E900 T901 | F603-N897 VanDerWaalsContact CD1-ND2 3.27Å; F603-N897 WeakPolarHBondContact CD1-ND2 3.29Å; F603-N897 WeakPolarHBondContact CE1-OD1 3.16Å; E895-N897 PolarHBondContact O-N 3.32Å; E895-N897 VanDerWaalsContact O-N 3.17Å; N897-I899 VanDerWaalsContact C-N 3.35Å; N897-I899 PolarHBondContact O-N 2.86Å; N897-E900 VanDerWaalsContact C-OE2 3.27Å; N897-E900 VanDerWaalsContact CA-OE2 3.25Å; N897-E900 WeakPolarHBondContact CA-OE2 3.37Å; N897-E900 WeakPolarHBondContact CB-OE2 3.4Å; N897-E900 PolarHBondContact N-OE2 2.64Å; N897-E900 VanDerWaalsContact N-OE2 3.09Å; N897-E900 PolarHBondContact O-N 2.79Å; N897-T901 WeakPolarHBondContact O-CB 3.47Å; N897-T901 PolarHBondContact O-N 3.19Å; N897-T901 PolarHBondContact O-OG1 3.5Å | ||
| 898 | V | 80.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | -175.3 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | F43 I476 V478 V479 L838 L842 T902 | F43-V898 HydrophobicContact CD1-CB 3.91Å; F43-V898 HydrophobicContact CD1-CG1 4.34Å; F43-V898 HydrophobicContact CD1-CG2 3.48Å; F43-V898 VanDerWaalsContact CD1-CG2 3.48Å; F43-V898 HydrophobicContact CE1-CB 3.67Å; F43-V898 HydrophobicContact CE1-CG1 4.12Å; F43-V898 HydrophobicContact CE1-CG2 3.8Å; F43-V898 HydrophobicContact CG-CG2 4.47Å; I476-V898 HydrophobicContact CG2-CG1 4.15Å; I476-V898 HydrophobicContact CG2-CG2 4.47Å; V478-V898 HydrophobicContact CB-CG1 4.38Å; V478-V898 HydrophobicContact CG1-CG1 4.26Å; V479-V898 HydrophobicContact CG2-CG1 3.66Å; L838-V898 HydrophobicContact CD1-CG2 4.06Å; L838-V898 HydrophobicContact CD2-CG2 4.38Å; L842-V898 HydrophobicContact CD2-CG2 4.33Å; V898-T902 PolarHBondContact O-N 3.34Å |
| 899 | I | 81.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.9 | -39.3 | -178 | -58.8 | 178.7 | 0 | 0 | 0 | 110.8 | F406 V407 N897 T901 T902 I903 A966 | F406-I899 HydrophobicContact CE2-CD1 4.42Å; F406-I899 HydrophobicContact CZ-CD1 4.18Å; V407-I899 HydrophobicContact CG2-CG1 4.41Å; N897-I899 VanDerWaalsContact C-N 3.35Å; N897-I899 PolarHBondContact O-N 2.86Å; I899-T901 VanDerWaalsContact C-N 3.27Å; I899-T901 PolarHBondContact O-N 3.25Å; I899-T902 PolarHBondContact O-N 3.34Å; I899-T902 PolarHBondContact O-OG1 3.39Å; I899-I903 HydrophobicContact CG2-CD1 3.83Å; I899-I903 HydrophobicContact CG2-CG1 4.36Å; I899-I903 WeakPolarHBondContact O-CB 3.49Å; I899-I903 VanDerWaalsContact O-CG1 3.24Å; I899-I903 WeakPolarHBondContact O-CG1 3.45Å; I899-I903 PolarHBondContact O-N 3.43Å; I899-A966 HydrophobicContact CD1-CB 3.82Å |
| 900 | E | 84.3 | Confident | 83 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 176.7 | -68.6 | 74.3 | -172.1 | 0 | 0 | 110.5 | W894 E895 V896 N897 I903 I904 Q969 | W894-E900 HydrophobicContact CE3-CG 3.96Å; E895-E900 WeakPolarHBondContact O-CG 3.36Å; V896-E900 HydrophobicContact CG2-CB 4.15Å; N897-E900 VanDerWaalsContact C-OE2 3.27Å; N897-E900 VanDerWaalsContact CA-OE2 3.25Å; N897-E900 WeakPolarHBondContact CA-OE2 3.37Å; N897-E900 WeakPolarHBondContact CB-OE2 3.4Å; N897-E900 PolarHBondContact N-OE2 2.64Å; N897-E900 VanDerWaalsContact N-OE2 3.09Å; N897-E900 PolarHBondContact O-N 2.79Å; E900-I903 PolarHBondContact O-N 2.81Å; E900-I904 WeakPolarHBondContact O-CB 3.38Å; E900-I904 VanDerWaalsContact O-CG1 3.24Å; E900-I904 WeakPolarHBondContact O-CG1 3.49Å; E900-I904 PolarHBondContact O-N 2.93Å; E900-Q969 PolarHBondContact OE1-NE2 3.17Å |
| 901 | T | 82.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | L842 V896 N897 I899 I903 I904 T905 | L842-T901 HydrophobicContact CD2-CG2 4.34Å; L842-T901 VanDerWaalsContact CD2-OG1 3.27Å; L842-T901 WeakPolarHBondContact CD2-OG1 3.09Å; V896-T901 WeakPolarHBondContact CG1-OG1 3.19Å; N897-T901 WeakPolarHBondContact O-CB 3.47Å; N897-T901 PolarHBondContact O-N 3.19Å; N897-T901 PolarHBondContact O-OG1 3.5Å; I899-T901 VanDerWaalsContact C-N 3.27Å; I899-T901 PolarHBondContact O-N 3.25Å; T901-I903 VanDerWaalsContact C-N 3.33Å; T901-I903 PolarHBondContact O-N 3.09Å; T901-I904 PolarHBondContact O-N 2.9Å; T901-T905 WeakPolarHBondContact O-CG2 3.38Å; T901-T905 PolarHBondContact O-N 3.48Å; T901-T905 VanDerWaalsContact O-N 3.1Å; T901-T905 PolarHBondContact O-OG1 2.83Å |
| 902 | T | 81.9 | Confident | 83 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 174.8 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | V479 F482 V898 I899 I904 T905 L906 | V479-T902 HydrophobicContact CB-CG2 4.25Å; V479-T902 HydrophobicContact CG1-CG2 4.03Å; V479-T902 HydrophobicContact CG2-CG2 3.85Å; F482-T902 HydrophobicContact CD1-CG2 3.91Å; F482-T902 HydrophobicContact CE1-CG2 4.44Å; V898-T902 PolarHBondContact O-N 3.34Å; I899-T902 PolarHBondContact O-N 3.34Å; I899-T902 PolarHBondContact O-OG1 3.39Å; T902-I904 PolarHBondContact O-N 3.38Å; T902-T905 PolarHBondContact O-N 3.11Å; T902-T905 PolarHBondContact O-OG1 3.12Å; T902-L906 VanDerWaalsContact O-CB 3.27Å; T902-L906 WeakPolarHBondContact O-CB 3.48Å; T902-L906 PolarHBondContact O-N 3Å |
| 903 | I | 85.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.5 | -71.9 | 170.9 | 0 | 0 | 0 | 111.8 | W894 I899 E900 T901 T905 L906 A907 Q969 I970 F973 | W894-I903 HydrophobicContact CZ3-CD1 4.33Å; I899-I903 HydrophobicContact CG2-CD1 3.83Å; I899-I903 HydrophobicContact CG2-CG1 4.36Å; I899-I903 WeakPolarHBondContact O-CB 3.49Å; I899-I903 VanDerWaalsContact O-CG1 3.24Å; I899-I903 WeakPolarHBondContact O-CG1 3.45Å; I899-I903 PolarHBondContact O-N 3.43Å; E900-I903 PolarHBondContact O-N 2.81Å; T901-I903 VanDerWaalsContact C-N 3.33Å; T901-I903 PolarHBondContact O-N 3.09Å; I903-T905 PolarHBondContact O-N 2.67Å; I903-L906 WeakPolarHBondContact O-CB 3Å; I903-L906 PolarHBondContact O-N 3.4Å; I903-A907 PolarHBondContact O-N 3.22Å; I903-Q969 HydrophobicContact CD1-CG 4.01Å; I903-I970 HydrophobicContact CD1-CG1 3.95Å; I903-I970 HydrophobicContact CG1-CG1 4.33Å; I903-F973 HydrophobicContact CG2-CB 3.99Å; I903-F973 HydrophobicContact CG2-CD1 3.83Å; I903-F973 HydrophobicContact CG2-CD2 3.1Å; I903-F973 HydrophobicContact CG2-CE1 4.09Å; I903-F973 HydrophobicContact CG2-CE2 3.35Å; I903-F973 HydrophobicContact CG2-CG 3.33Å; I903-F973 HydrophobicContact CG2-CZ 3.84Å |
| 904 | I | 82.2 | Confident | 83.1 | Confident | 35 Ų | 35 | 12.5 Ų | 12.5 | 18% | 0.179 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.9 | -71.7 | 165.3 | 0 | 0 | 0 | 110.8 | V850 L886 V896 E900 T901 T902 A907 | V850-I904 HydrophobicContact CG2-CG2 4.49Å; L886-I904 HydrophobicContact CD2-CB 4.47Å; L886-I904 HydrophobicContact CD2-CD1 4.13Å; L886-I904 HydrophobicContact CD2-CG1 3.8Å; L886-I904 HydrophobicContact CD2-CG2 3.96Å; V896-I904 HydrophobicContact CG2-CD1 3.88Å; E900-I904 WeakPolarHBondContact O-CB 3.38Å; E900-I904 VanDerWaalsContact O-CG1 3.24Å; E900-I904 WeakPolarHBondContact O-CG1 3.49Å; E900-I904 PolarHBondContact O-N 2.93Å; T901-I904 PolarHBondContact O-N 2.9Å; T902-I904 PolarHBondContact O-N 3.38Å; I904-A907 WeakPolarHBondContact O-CB 3.47Å; I904-A907 PolarHBondContact O-N 3.18Å |
| 905 | T | 80.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 176 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | N471 A849 T901 T902 I903 A907 I908 | N471-T905 PolarHBondContact ND2-OG1 3.11Å; N471-T905 WeakPolarHBondContact OD1-CB 3.46Å; N471-T905 VanDerWaalsContact OD1-CG2 3.31Å; N471-T905 WeakPolarHBondContact OD1-CG2 3.46Å; N471-T905 PolarHBondContact OD1-OG1 3.39Å; A849-T905 HydrophobicContact CB-CG2 4.42Å; T901-T905 WeakPolarHBondContact O-CG2 3.38Å; T901-T905 PolarHBondContact O-N 3.48Å; T901-T905 VanDerWaalsContact O-N 3.1Å; T901-T905 PolarHBondContact O-OG1 2.83Å; T902-T905 PolarHBondContact O-N 3.11Å; T902-T905 PolarHBondContact O-OG1 3.12Å; I903-T905 PolarHBondContact O-N 2.67Å; T905-A907 VanDerWaalsContact C-N 3.3Å; T905-A907 PolarHBondContact O-N 2.78Å; T905-I908 WeakPolarHBondContact O-CB 3.49Å; T905-I908 PolarHBondContact O-N 2.84Å |
| 906 | L | 82.7 | Confident | 84 | Confident | 5 Ų | 5 | 9 Ų | 9 | 3% | 0.026 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 173.5 | 172.9 | 82.4 | 0 | 0 | 0 | 111.4 | L414 F468 T902 I903 I908 G909 L910 F973 | L414-L906 HydrophobicContact CD1-CD1 3.94Å; L414-L906 HydrophobicContact CD1-CD2 4Å; L414-L906 HydrophobicContact CD2-CD1 4.23Å; L414-L906 HydrophobicContact CD2-CD2 3.61Å; L414-L906 HydrophobicContact CG-CD2 4.48Å; F468-L906 HydrophobicContact CD1-CD1 4.41Å; F468-L906 HydrophobicContact CE1-CD1 3.25Å; F468-L906 HydrophobicContact CE2-CD1 4.18Å; F468-L906 HydrophobicContact CZ-CD1 3.11Å; T902-L906 VanDerWaalsContact O-CB 3.27Å; T902-L906 WeakPolarHBondContact O-CB 3.48Å; T902-L906 PolarHBondContact O-N 3Å; I903-L906 WeakPolarHBondContact O-CB 3Å; I903-L906 PolarHBondContact O-N 3.4Å; L906-I908 PolarHBondContact O-N 3.28Å; L906-G909 PolarHBondContact O-N 3.49Å; L906-G909 VanDerWaalsContact O-N 3.12Å; L906-L910 HydrophobicContact CD1-CD1 3.69Å; L906-L910 HydrophobicContact CD1-CG 4.03Å; L906-L910 HydrophobicContact CD2-CD1 4.07Å; L906-L910 HydrophobicContact CG-CD1 3.68Å; L906-L910 HydrophobicContact CG-CG 4.17Å; L906-L910 PolarHBondContact O-N 3.39Å; L906-F973 HydrophobicContact CD2-CD1 4.02Å; L906-F973 HydrophobicContact CD2-CE1 3.33Å; L906-F973 HydrophobicContact CD2-CZ 4.05Å; L906-F973 HydrophobicContact CG-CE1 4.08Å; L906-F973 HydrophobicContact CG-CZ 4.42Å |
| 907 | A | 86.5 | Confident | 84.3 | Confident | 4 Ų | 4 | 8.5 Ų | 8.5 | 3% | 0.033 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55.9 | -39.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L885 I903 I904 T905 S911 F973 | L885-A907 HydrophobicContact CD2-CB 3.64Å; I903-A907 PolarHBondContact O-N 3.22Å; I904-A907 WeakPolarHBondContact O-CB 3.47Å; I904-A907 PolarHBondContact O-N 3.18Å; T905-A907 VanDerWaalsContact C-N 3.3Å; T905-A907 PolarHBondContact O-N 2.78Å; A907-S911 WeakPolarHBondContact O-CB 3.47Å; A907-S911 PolarHBondContact O-N 2.78Å; A907-S911 PolarHBondContact O-OG 2.63Å; A907-F973 HydrophobicContact CB-CE2 3.76Å; A907-F973 HydrophobicContact CB-CZ 3.68Å |
| 908 | I | 81.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 178.4 | -58.2 | 169.6 | 0 | 0 | 0 | 109.5 | V850 A853 I854 I882 T905 L906 F912 | V850-I908 HydrophobicContact CB-CD1 4.04Å; V850-I908 HydrophobicContact CG1-CD1 3.74Å; V850-I908 HydrophobicContact CG2-CD1 3.95Å; A853-I908 HydrophobicContact CB-CD1 4.3Å; A853-I908 HydrophobicContact CB-CG2 4.23Å; I854-I908 HydrophobicContact CG1-CD1 4.34Å; I854-I908 HydrophobicContact CG1-CG2 3.82Å; I882-I908 HydrophobicContact CD1-CB 4.27Å; I882-I908 HydrophobicContact CD1-CG1 4Å; I882-I908 HydrophobicContact CD1-CG2 4.18Å; T905-I908 WeakPolarHBondContact O-CB 3.49Å; T905-I908 PolarHBondContact O-N 2.84Å; L906-I908 PolarHBondContact O-N 3.28Å; I908-F912 HydrophobicContact CG2-CE2 3.98Å; I908-F912 WeakPolarHBondContact O-CD2 3.38Å; I908-F912 WeakPolarHBondContact O-CE2 3.24Å |
| 909 | G | 79.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A467 L906 | A467-G909 VanDerWaalsContact CB-CA 3.49Å; L906-G909 PolarHBondContact O-N 3.49Å; L906-G909 VanDerWaalsContact O-N 3.12Å |
| 910 | L | 85.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 7 Ų | 7 | 6% | 0.063 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -79.8 | -23.5 | -174.9 | -61.8 | -177.4 | 0 | 0 | 0 | 114.1 | L414 V418 T464 L906 F912 D913 L977 | L414-L910 HydrophobicContact CD2-CD1 4.49Å; V418-L910 HydrophobicContact CB-CD2 4.27Å; V418-L910 HydrophobicContact CG1-CD2 3.79Å; V418-L910 HydrophobicContact CG2-CD1 3.95Å; V418-L910 HydrophobicContact CG2-CD2 3.42Å; V418-L910 VanDerWaalsContact CG2-CD2 3.42Å; V418-L910 HydrophobicContact CG2-CG 4.35Å; T464-L910 HydrophobicContact CG2-CD2 3.73Å; L906-L910 HydrophobicContact CD1-CD1 3.69Å; L906-L910 HydrophobicContact CD1-CG 4.03Å; L906-L910 HydrophobicContact CD2-CD1 4.07Å; L906-L910 HydrophobicContact CG-CD1 3.68Å; L906-L910 HydrophobicContact CG-CG 4.17Å; L906-L910 PolarHBondContact O-N 3.39Å; L910-F912 PolarHBondContact O-N 2.67Å; L910-D913 PolarHBondContact O-N 3.47Å; L910-L977 HydrophobicContact CB-CD1 4.46Å; L910-L977 HydrophobicContact CB-CD2 3.56Å; L910-L977 HydrophobicContact CB-CG 4.49Å; L910-L977 HydrophobicContact CD1-CD2 3.54Å; L910-L977 HydrophobicContact CG-CD2 4.2Å |
| 911 | S | 87.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 8.2 Ų | 8.2 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.6 | -19.5 | 178.9 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | A907 L977 | A907-S911 WeakPolarHBondContact O-CB 3.47Å; A907-S911 PolarHBondContact O-N 2.78Å; A907-S911 PolarHBondContact O-OG 2.63Å; S911-L977 WeakPolarHBondContact OG-CD1 3.34Å |
| 912 | F | 83.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.018 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.8 | 179.2 | -75 | -85.8 | 0 | 0 | 0 | 113.1 | L861 T874 V878 I908 L910 Y914 T915 L916 | L861-F912 HydrophobicContact CD1-CD1 3.74Å; L861-F912 HydrophobicContact CD1-CE1 3.64Å; T874-F912 HydrophobicContact CG2-CD1 4.24Å; V878-F912 HydrophobicContact CB-CD1 4.04Å; V878-F912 HydrophobicContact CB-CE1 3.72Å; V878-F912 HydrophobicContact CB-CE2 4.48Å; V878-F912 HydrophobicContact CB-CZ 3.95Å; V878-F912 HydrophobicContact CG1-CD1 3.98Å; V878-F912 HydrophobicContact CG1-CD2 3.88Å; V878-F912 HydrophobicContact CG1-CE1 3.67Å; V878-F912 HydrophobicContact CG1-CE2 3.53Å; V878-F912 HydrophobicContact CG1-CG 4.06Å; V878-F912 HydrophobicContact CG1-CZ 3.42Å; V878-F912 VanDerWaalsContact CG1-CZ 3.42Å; V878-F912 HydrophobicContact CG2-CD1 3.57Å; V878-F912 HydrophobicContact CG2-CE1 3.78Å; V878-F912 HydrophobicContact CG2-CG 4.05Å; V878-F912 HydrophobicContact CG2-CZ 4.41Å; I908-F912 HydrophobicContact CG2-CE2 3.98Å; I908-F912 WeakPolarHBondContact O-CD2 3.38Å; I908-F912 WeakPolarHBondContact O-CE2 3.24Å; L910-F912 PolarHBondContact O-N 2.67Å; F912-Y914 PolarHBondContact O-N 3.29Å; F912-T915 PolarHBondContact O-N 3.43Å; F912-L916 HydrophobicContact CB-CD1 3.79Å; F912-L916 HydrophobicContact CB-CG 4.32Å; F912-L916 VanDerWaalsContact O-CB 3.28Å; F912-L916 WeakPolarHBondContact O-CB 3.29Å; F912-L916 WeakPolarHBondContact O-CG 3.36Å; F912-L916 PolarHBondContact O-N 3.22Å |
| 913 | D | 85.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 11.2 Ų | 11.2 | 3% | 0.032 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | -161.1 | -67.5 | -20 | 0 | 0 | 0 | 112.7 | T460 L910 T915 L916 H917 | T460-D913 WeakPolarHBondContact CB-OD1 3.41Å; T460-D913 HydrophobicContact CG2-CB 4.29Å; L910-D913 PolarHBondContact O-N 3.47Å; D913-T915 PolarHBondContact O-N 3.28Å; D913-L916 WeakPolarHBondContact O-CB 3.44Å; D913-L916 PolarHBondContact O-N 3.46Å; D913-H917 PolarHBondContact O-CD2 3.28Å; D913-H917 VanDerWaalsContact O-CG 3.28Å; D913-H917 PolarHBondContact O-N 3.13Å; D913-H917 PolarHBondContact O-NE2 3.28Å |
| 914 | Y | 89.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 13.4 Ų | 13.4 | 4% | 0.043 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -40 | -179.6 | -55.7 | -23.8 | 0 | 0 | 0 | 113 | F912 L916 H917 Y918 V945 S948 M949 | F912-Y914 PolarHBondContact O-N 3.29Å; Y914-L916 VanDerWaalsContact C-N 3.29Å; Y914-L916 PolarHBondContact O-N 3.5Å; Y914-H917 PolarHBondContact O-N 3.49Å; Y914-Y918 VanDerWaalsContact O-CD2 3.28Å; Y914-Y918 WeakPolarHBondContact O-CD2 3.46Å; Y914-Y918 PolarHBondContact O-N 3.13Å; Y914-V945 HydrophobicContact CD1-CG1 4.05Å; Y914-V945 HydrophobicContact CG-CG1 4.02Å; Y914-S948 WeakPolarHBondContact CE1-OG 3.2Å; Y914-S948 PolarHBondContact OH-OG 3.22Å; Y914-M949 HydrophobicContact CE2-CB 4.46Å |
| 915 | T | 91.5 | Very high | 85.5 | Confident | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.9 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | T874 T877 F912 D913 Y918 A919 F989 | T874-T915 HydrophobicContact CG2-CG2 3.77Å; T877-T915 WeakPolarHBondContact OG1-CG2 3.43Å; F912-T915 PolarHBondContact O-N 3.43Å; D913-T915 PolarHBondContact O-N 3.28Å; T915-Y918 PolarHBondContact O-N 3.48Å; T915-A919 WeakPolarHBondContact O-CB 3.27Å; T915-A919 PolarHBondContact O-N 3.3Å; T915-F989 HydrophobicContact CG2-CB 4.05Å; T915-F989 HydrophobicContact CG2-CD1 3.92Å; T915-F989 HydrophobicContact CG2-CD2 3.53Å; T915-F989 HydrophobicContact CG2-CE1 4.21Å; T915-F989 HydrophobicContact CG2-CE2 3.86Å; T915-F989 HydrophobicContact CG2-CG 3.57Å; T915-F989 HydrophobicContact CG2-CZ 4.18Å |
| 916 | L | 88.1 | Confident | 85.5 | Confident | 5 Ų | 5 | 18.5 Ų | 18.5 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.4 | -92.2 | 173.5 | 0 | 0 | 0 | 113 | I459 T460 T463 L861 F912 D913 Y914 Y918 A919 A920 | I459-L916 HydrophobicContact CG2-CD1 3.91Å; I459-L916 HydrophobicContact CG2-CD2 3.69Å; I459-L916 HydrophobicContact CG2-CG 4.42Å; T460-L916 HydrophobicContact CG2-CB 4.2Å; T460-L916 HydrophobicContact CG2-CD1 4.12Å; T463-L916 HydrophobicContact CG2-CD1 4.43Å; L861-L916 HydrophobicContact CD2-CD1 4.06Å; L861-L916 HydrophobicContact CD2-CD2 3.07Å; L861-L916 HydrophobicContact CD2-CG 3.78Å; F912-L916 HydrophobicContact CB-CD1 3.79Å; F912-L916 HydrophobicContact CB-CG 4.32Å; F912-L916 VanDerWaalsContact O-CB 3.28Å; F912-L916 WeakPolarHBondContact O-CB 3.29Å; F912-L916 WeakPolarHBondContact O-CG 3.36Å; F912-L916 PolarHBondContact O-N 3.22Å; D913-L916 WeakPolarHBondContact O-CB 3.44Å; D913-L916 PolarHBondContact O-N 3.46Å; Y914-L916 VanDerWaalsContact C-N 3.29Å; Y914-L916 PolarHBondContact O-N 3.5Å; L916-Y918 VanDerWaalsContact C-N 3.31Å; L916-Y918 PolarHBondContact O-N 3.29Å; L916-A919 PolarHBondContact O-N 3.01Å; L916-A920 WeakPolarHBondContact O-CB 3.22Å; L916-A920 PolarHBondContact O-N 2.92Å |
| 917 | H | 87.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.7 | -64.8 | -38.7 | 0 | 0 | 0 | 112 | I425 T460 D913 Y914 M921 V945 | I425-H917 WeakPolarHBondContact CD1-CE1 3.47Å; I425-H917 VanDerWaalsContact CD1-ND1 3.27Å; I425-H917 WeakPolarHBondContact CD1-ND1 3.35Å; I425-H917 VanDerWaalsContact CD1-NE2 3.28Å; I425-H917 WeakPolarHBondContact CD1-NE2 2.95Å; T460-H917 WeakPolarHBondContact CG2-CE1 3.27Å; D913-H917 PolarHBondContact O-CD2 3.28Å; D913-H917 VanDerWaalsContact O-CG 3.28Å; D913-H917 PolarHBondContact O-N 3.13Å; D913-H917 PolarHBondContact O-NE2 3.28Å; Y914-H917 PolarHBondContact O-N 3.49Å; H917-M921 WeakPolarHBondContact O-CB 3.46Å; H917-M921 VanDerWaalsContact O-CG 3.28Å; H917-M921 WeakPolarHBondContact O-CG 3.45Å; H917-M921 PolarHBondContact O-N 3.46Å; H917-V945 HydrophobicContact CB-CG2 3.99Å |
| 918 | Y | 90.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 172.4 | -67.9 | -45.9 | 0 | 0 | 0 | 112 | Y914 T915 L916 M921 Y922 L937 T941 V945 A985 T986 F989 L990 | Y914-Y918 VanDerWaalsContact O-CD2 3.28Å; Y914-Y918 WeakPolarHBondContact O-CD2 3.46Å; Y914-Y918 PolarHBondContact O-N 3.13Å; T915-Y918 PolarHBondContact O-N 3.48Å; L916-Y918 VanDerWaalsContact C-N 3.31Å; L916-Y918 PolarHBondContact O-N 3.29Å; Y918-M921 PolarHBondContact O-N 2.69Å; Y918-Y922 WeakPolarHBondContact O-CB 3.4Å; Y918-Y922 PolarHBondContact O-N 2.94Å; Y918-L937 HydrophobicContact CD1-CD2 4.46Å; Y918-L937 HydrophobicContact CD1-CG 4.3Å; Y918-T941 WeakPolarHBondContact CD1-OG1 3.36Å; Y918-T941 WeakPolarHBondContact CE1-OG1 3.34Å; Y918-V945 HydrophobicContact CE1-CG2 4.34Å; Y918-V945 HydrophobicContact CE2-CG1 4.36Å; Y918-A985 HydrophobicContact CD2-CB 4.18Å; Y918-A985 HydrophobicContact CE2-CB 4.09Å; Y918-T986 HydrophobicContact CE2-CG2 3.97Å; Y918-T986 WeakPolarHBondContact OH-CG2 3.4Å; Y918-F989 HydrophobicContact CD2-CD1 4.48Å; Y918-L990 HydrophobicContact CD1-CD2 4.34Å; Y918-L990 HydrophobicContact CD2-CD2 4.32Å; Y918-L990 HydrophobicContact CG-CD2 4.08Å |
| 919 | A | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L870 T915 L916 M921 Y922 I923 F989 | L870-A919 HydrophobicContact CD1-CB 4.33Å; L870-A919 HydrophobicContact CD2-CB 4.17Å; L870-A919 HydrophobicContact CG-CB 4.32Å; T915-A919 WeakPolarHBondContact O-CB 3.27Å; T915-A919 PolarHBondContact O-N 3.3Å; L916-A919 PolarHBondContact O-N 3.01Å; A919-M921 VanDerWaalsContact C-N 3.33Å; A919-M921 PolarHBondContact O-N 3.44Å; A919-Y922 WeakPolarHBondContact O-CB 3.27Å; A919-Y922 PolarHBondContact O-N 2.8Å; A919-I923 WeakPolarHBondContact O-CG1 3.36Å; A919-I923 PolarHBondContact O-N 3.4Å; A919-F989 HydrophobicContact CB-CE1 4.34Å; A919-F989 HydrophobicContact CB-CZ 3.81Å |
| 920 | A | 85.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T456 L916 I923 S924 | T456-A920 HydrophobicContact CG2-CB 3.69Å; L916-A920 WeakPolarHBondContact O-CB 3.22Å; L916-A920 PolarHBondContact O-N 2.92Å; A920-I923 PolarHBondContact O-N 2.9Å; A920-S924 WeakPolarHBondContact O-CB 3.46Å; A920-S924 PolarHBondContact O-N 3.16Å; A920-S924 PolarHBondContact O-OG 2.93Å |
| 921 | M | 86.2 | Confident | 84.2 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 20% | 0.197 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.4 | -28.7 | -180 | -69.3 | -71.5 | 126.5 | 0 | 0 | 113 | T456 H917 Y918 A919 I923 S924 A925 L937 T941 | T456-M921 WeakPolarHBondContact OG1-CE 3.24Å; H917-M921 WeakPolarHBondContact O-CB 3.46Å; H917-M921 VanDerWaalsContact O-CG 3.28Å; H917-M921 WeakPolarHBondContact O-CG 3.45Å; H917-M921 PolarHBondContact O-N 3.46Å; Y918-M921 PolarHBondContact O-N 2.69Å; A919-M921 VanDerWaalsContact C-N 3.33Å; A919-M921 PolarHBondContact O-N 3.44Å; M921-I923 VanDerWaalsContact C-N 3.26Å; M921-I923 PolarHBondContact O-N 3.32Å; M921-S924 WeakPolarHBondContact CA-OG 3.39Å; M921-S924 PolarHBondContact SD-OG 3.42Å; M921-S924 VanDerWaalsContact SD-OG 3.42Å; M921-A925 WeakPolarHBondContact O-CB 3.45Å; M921-A925 PolarHBondContact O-N 3.14Å; M921-L937 HydrophobicContact CB-CD1 3.79Å; M921-T941 HydrophobicContact CB-CG2 3.32Å; M921-T941 HydrophobicContact CG-CG2 3.28Å; M921-T941 HydrophobicContact SD-CG2 4.22Å |
| 922 | Y | 87.8 | Confident | 84 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 168 | 178.4 | -108.2 | 0 | 0 | 0 | 111.7 | L870 Y918 A919 L927 R928 P933 I993 | L870-Y922 HydrophobicContact CD1-CD1 4.35Å; Y918-Y922 WeakPolarHBondContact O-CB 3.4Å; Y918-Y922 PolarHBondContact O-N 2.94Å; A919-Y922 WeakPolarHBondContact O-CB 3.27Å; A919-Y922 PolarHBondContact O-N 2.8Å; Y922-L927 HydrophobicContact CD2-CB 3.78Å; Y922-L927 HydrophobicContact CE2-CB 3.94Å; Y922-L927 PolarHBondContact O-N 2.91Å; Y922-R928 HydrophobicContact CE1-CG 3.87Å; Y922-P933 HydrophobicContact CD2-CB 4.32Å; Y922-P933 HydrophobicContact CE2-CB 3.88Å; Y922-P933 HydrophobicContact CE2-CG 3.93Å; Y922-I993 HydrophobicContact CD2-CG2 4.33Å; Y922-I993 HydrophobicContact CE2-CG2 3.99Å |
| 923 | I | 86.2 | Confident | 84.3 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.1 | -53.5 | 175.6 | -61.2 | 168 | 0 | 0 | 0 | 111.1 | T865 L870 A919 A920 M921 A925 N926 | T865-I923 HydrophobicContact CG2-CD1 4.08Å; L870-I923 HydrophobicContact CD2-CD1 3.67Å; L870-I923 HydrophobicContact CD2-CG1 3.87Å; A919-I923 WeakPolarHBondContact O-CG1 3.36Å; A919-I923 PolarHBondContact O-N 3.4Å; A920-I923 PolarHBondContact O-N 2.9Å; M921-I923 VanDerWaalsContact C-N 3.26Å; M921-I923 PolarHBondContact O-N 3.32Å; I923-A925 VanDerWaalsContact C-N 3.33Å; I923-A925 PolarHBondContact O-N 3.35Å; I923-N926 PolarHBondContact O-N 3.09Å |
| 924 | S | 80.6 | Confident | 84.5 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.7 | -32 | -170.9 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | A920 M921 N926 | A920-S924 WeakPolarHBondContact O-CB 3.46Å; A920-S924 PolarHBondContact O-N 3.16Å; A920-S924 PolarHBondContact O-OG 2.93Å; M921-S924 WeakPolarHBondContact CA-OG 3.39Å; M921-S924 PolarHBondContact SD-OG 3.42Å; M921-S924 VanDerWaalsContact SD-OG 3.42Å; S924-N926 PolarHBondContact O-N 3.35Å |
| 925 | A | 79 | Confident | 84.4 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M921 I923 L927 K940 | M921-A925 WeakPolarHBondContact O-CB 3.45Å; M921-A925 PolarHBondContact O-N 3.14Å; I923-A925 VanDerWaalsContact C-N 3.33Å; I923-A925 PolarHBondContact O-N 3.35Å; A925-L927 HydrophobicContact CB-CD1 3.91Å; A925-L927 HydrophobicContact CB-CG 3.83Å; A925-L927 PolarHBondContact O-N 3.45Å; A925-K940 HydrophobicContact CB-CD 4.17Å |
| 926 | N | 80.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 40.5 Ų | 40.5 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 37.4 | -176.8 | -157.5 | 20.7 | 0 | 0 | 0 | 113.6 | I923 S924 R928 | I923-N926 PolarHBondContact O-N 3.09Å; S924-N926 PolarHBondContact O-N 3.35Å; N926-R928 PolarHBondContact O-N 3.48Å; N926-R928 VanDerWaalsContact O-N 3.08Å |
| 927 | L | 79.6 | Confident | 84.3 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -75.1 | 6 | -176.3 | -73.6 | 170.6 | 0 | 0 | 0 | 113.3 | Y922 A925 S929 S930 P933 D936 L937 | Y922-L927 HydrophobicContact CD2-CB 3.78Å; Y922-L927 HydrophobicContact CE2-CB 3.94Å; Y922-L927 PolarHBondContact O-N 2.91Å; A925-L927 HydrophobicContact CB-CD1 3.91Å; A925-L927 HydrophobicContact CB-CG 3.83Å; A925-L927 PolarHBondContact O-N 3.45Å; L927-S929 VanDerWaalsContact C-N 3.26Å; L927-S929 PolarHBondContact O-N 3.12Å; L927-S930 PolarHBondContact O-N 3.12Å; L927-P933 HydrophobicContact CB-CB 3.86Å; L927-P933 HydrophobicContact CD2-CB 4.48Å; L927-D936 HydrophobicContact CD1-CB 4.5Å; L927-D936 HydrophobicContact CD2-CB 3.97Å; L927-L937 HydrophobicContact CD1-CB 4.01Å; L927-L937 HydrophobicContact CD1-CD1 4.27Å |
| 928 | R | 72.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 40.2 Ų | 40.2 | 35% | 0.347 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -64.1 | -27.1 | 175.2 | -84.2 | 179.6 | 172.1 | 155.7 | 0.6 | 113.7 | D867 Y922 N926 | D867-R928 VanDerWaalsContact CB-NH2 3.28Å; D867-R928 IonicContact OD2-CZ 3.38Å; D867-R928 IonicContact OD2-NE 2.75Å; D867-R928 IonicContact OD2-NH2 3.12Å; D867-R928 PolarHBondContact OD2-NH2 3.06Å; Y922-R928 HydrophobicContact CE1-CG 3.87Å; N926-R928 PolarHBondContact O-N 3.48Å; N926-R928 VanDerWaalsContact O-N 3.08Å |
| 929 | S | 73.7 | Confident | 84.2 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 69% | 0.685 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -91.7 | -13.2 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | L927 | L927-S929 VanDerWaalsContact C-N 3.26Å; L927-S929 PolarHBondContact O-N 3.12Å |
| 930 | S | 82 | Confident | 83.8 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -70.7 | 136.8 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | L927 N932 | L927-S930 PolarHBondContact O-N 3.12Å; S930-N932 PolarHBondContact O-N 2.9Å; S930-N932 PolarHBondContact OG-N 2.97Å | ||
| 931 | N | 80.1 | Confident | 83.8 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -70.9 | -21.3 | 178.7 | -78.3 | -19.8 | 0 | 0 | 0 | 113.4 | Q1001 | N931-Q1001 PolarHBondContact O-NE2 3.44Å; N931-Q1001 VanDerWaalsContact O-NE2 3.11Å; N931-Q1001 PolarHBondContact OD1-NE2 3.18Å |
| 932 | N | 84.2 | Confident | 83.8 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -147.2 | 82.2 | 175.5 | -167.9 | 2.4 | 0 | 0 | 0 | 110.1 | T568 S930 V934 P935 | T568-N932 WeakPolarHBondContact CG2-OD1 3.49Å; S930-N932 PolarHBondContact O-N 2.9Å; S930-N932 PolarHBondContact OG-N 2.97Å; N932-V934 PolarHBondContact O-N 3.48Å; N932-P935 WeakPolarHBondContact O-CD 3.06Å; N932-P935 WeakPolarHBondContact OD1-CD 3.48Å |
| 933 | P | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -78.4 | -16.7 | -169.4 | 28.7 | -33.5 | 0 | 0 | 0 | 114.2 | Y922 L927 D936 L937 I993 T997 | Y922-P933 HydrophobicContact CD2-CB 4.32Å; Y922-P933 HydrophobicContact CE2-CB 3.88Å; Y922-P933 HydrophobicContact CE2-CG 3.93Å; L927-P933 HydrophobicContact CB-CB 3.86Å; L927-P933 HydrophobicContact CD2-CB 4.48Å; P933-D936 PolarHBondContact O-N 3.34Å; P933-L937 VanDerWaalsContact O-CB 3.28Å; P933-L937 WeakPolarHBondContact O-CB 3.46Å; P933-L937 PolarHBondContact O-N 2.98Å; P933-I993 HydrophobicContact CG-CG2 4.05Å; P933-T997 HydrophobicContact CG-CG2 3.81Å |
| 934 | V | 90.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | -170.9 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | I567 T568 N932 D936 L937 L938 L990 I993 | I567-V934 HydrophobicContact CB-CG1 4.47Å; I567-V934 HydrophobicContact CG2-CG1 4.16Å; T568-V934 HydrophobicContact CG2-CB 3.66Å; T568-V934 HydrophobicContact CG2-CG1 4.11Å; T568-V934 HydrophobicContact CG2-CG2 4.16Å; N932-V934 PolarHBondContact O-N 3.48Å; V934-D936 VanDerWaalsContact C-N 3.31Å; V934-D936 PolarHBondContact O-N 3.12Å; V934-L937 PolarHBondContact O-N 3.04Å; V934-L938 HydrophobicContact CG1-CD1 4.07Å; V934-L938 WeakPolarHBondContact O-CB 3.48Å; V934-L938 PolarHBondContact O-N 3.3Å; V934-L990 HydrophobicContact CG1-CB 4.05Å; V934-L990 HydrophobicContact CG1-CD1 4.33Å; V934-I993 HydrophobicContact CG2-CG2 4.4Å |
| 935 | P | 88.7 | Confident | 84.1 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 13% | 0.13 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 178 | -21.6 | 34.2 | 0 | 0 | 0 | 112.6 | T568 N932 L938 L939 | T568-P935 HydrophobicContact CG2-CG 4.4Å; N932-P935 WeakPolarHBondContact O-CD 3.06Å; N932-P935 WeakPolarHBondContact OD1-CD 3.48Å; P935-L938 PolarHBondContact O-N 3.23Å; P935-L939 WeakPolarHBondContact O-CB 3.11Å; P935-L939 WeakPolarHBondContact O-CD1 3.44Å; P935-L939 WeakPolarHBondContact O-CG 3.41Å; P935-L939 PolarHBondContact O-N 2.89Å |
| 936 | D | 86.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.3 | -39.1 | 178.8 | -67.8 | -21.3 | 0 | 0 | 0 | 111.8 | L927 P933 V934 L939 K940 | L927-D936 HydrophobicContact CD1-CB 4.5Å; L927-D936 HydrophobicContact CD2-CB 3.97Å; P933-D936 PolarHBondContact O-N 3.34Å; V934-D936 VanDerWaalsContact C-N 3.31Å; V934-D936 PolarHBondContact O-N 3.12Å; D936-L939 PolarHBondContact O-N 3.23Å; D936-K940 WeakPolarHBondContact O-CG 3.4Å; D936-K940 PolarHBondContact O-N 3.33Å; D936-K940 VanDerWaalsContact O-N 3.1Å |
| 937 | L | 89.7 | Confident | 85 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 174.7 | -176.6 | 59.9 | 0 | 0 | 0 | 110.8 | Y918 M921 L927 P933 V934 L939 K940 T941 L990 I993 | Y918-L937 HydrophobicContact CD1-CD2 4.46Å; Y918-L937 HydrophobicContact CD1-CG 4.3Å; M921-L937 HydrophobicContact CB-CD1 3.79Å; L927-L937 HydrophobicContact CD1-CB 4.01Å; L927-L937 HydrophobicContact CD1-CD1 4.27Å; P933-L937 VanDerWaalsContact O-CB 3.28Å; P933-L937 WeakPolarHBondContact O-CB 3.46Å; P933-L937 PolarHBondContact O-N 2.98Å; V934-L937 PolarHBondContact O-N 3.04Å; L937-L939 PolarHBondContact O-N 3.06Å; L937-K940 PolarHBondContact O-N 3.27Å; L937-T941 HydrophobicContact CD1-CG2 4.34Å; L937-T941 PolarHBondContact O-N 3.48Å; L937-T941 PolarHBondContact O-OG1 2.03Å; L937-L990 HydrophobicContact CD2-CD2 3.74Å; L937-I993 HydrophobicContact CD2-CD1 4.35Å |
| 938 | L | 89.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.9 | -107.1 | 146.6 | 0 | 0 | 0 | 112.5 | A560 L563 I567 V934 P935 K940 G942 L990 | A560-L938 HydrophobicContact CB-CB 4.42Å; L563-L938 HydrophobicContact CD2-CD2 3.93Å; I567-L938 HydrophobicContact CD1-CD1 3.88Å; V934-L938 HydrophobicContact CG1-CD1 4.07Å; V934-L938 WeakPolarHBondContact O-CB 3.48Å; V934-L938 PolarHBondContact O-N 3.3Å; P935-L938 PolarHBondContact O-N 3.23Å; L938-K940 VanDerWaalsContact C-N 3.33Å; L938-K940 PolarHBondContact O-N 3.27Å; L938-G942 VanDerWaalsContact O-CA 3.24Å; L938-G942 WeakPolarHBondContact O-CA 3.37Å; L938-G942 PolarHBondContact O-N 3.15Å; L938-L990 HydrophobicContact CD1-CD1 3.53Å; L938-L990 HydrophobicContact CG-CD1 3.98Å |
| 939 | L | 86.1 | Confident | 86.3 | Confident | 55 Ų | 55 | 32.6 Ų | 32.6 | 29% | 0.288 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 174.3 | -85.5 | 159.7 | 0 | 0 | 0 | 112.5 | A560 K561 P935 D936 L937 | A560-L939 HydrophobicContact CB-CD2 4.41Å; A560-L939 HydrophobicContact CB-CG 4.44Å; K561-L939 HydrophobicContact CD-CD1 4.25Å; K561-L939 HydrophobicContact CG-CD1 3.67Å; K561-L939 HydrophobicContact CG-CD2 4Å; K561-L939 HydrophobicContact CG-CG 4.01Å; P935-L939 WeakPolarHBondContact O-CB 3.11Å; P935-L939 WeakPolarHBondContact O-CD1 3.44Å; P935-L939 WeakPolarHBondContact O-CG 3.41Å; P935-L939 PolarHBondContact O-N 2.89Å; D936-L939 PolarHBondContact O-N 3.23Å; L937-L939 PolarHBondContact O-N 3.06Å |
| 940 | K | 82.4 | Confident | 87.2 | Confident | 104 Ų | 104 | 31.5 Ų | 31.5 | 45% | 0.452 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -80.6 | -28.3 | -177.9 | -71.5 | 179.7 | -178.8 | -178.6 | 0 | 113.7 | H428 A925 D936 L937 L938 | H428-K940 PolarHBondContact CE1-O 3.45Å; A925-K940 HydrophobicContact CB-CD 4.17Å; D936-K940 WeakPolarHBondContact O-CG 3.4Å; D936-K940 PolarHBondContact O-N 3.33Å; D936-K940 VanDerWaalsContact O-N 3.1Å; L937-K940 PolarHBondContact O-N 3.27Å; L938-K940 VanDerWaalsContact C-N 3.33Å; L938-K940 PolarHBondContact O-N 3.27Å |
| 941 | T | 85.1 | Confident | 87.7 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -131.7 | -14.2 | -168.2 | 59 | 0 | 0 | 0 | 0 | 115.5 | Y918 M921 L937 S943 P944 V945 | Y918-T941 WeakPolarHBondContact CD1-OG1 3.36Å; Y918-T941 WeakPolarHBondContact CE1-OG1 3.34Å; M921-T941 HydrophobicContact CB-CG2 3.32Å; M921-T941 HydrophobicContact CG-CG2 3.28Å; M921-T941 HydrophobicContact SD-CG2 4.22Å; L937-T941 HydrophobicContact CD1-CG2 4.34Å; L937-T941 PolarHBondContact O-N 3.48Å; L937-T941 PolarHBondContact O-OG1 2.03Å; T941-S943 VanDerWaalsContact C-N 3.26Å; T941-S943 PolarHBondContact O-N 3.12Å; T941-P944 WeakPolarHBondContact O-CD 3.49Å; T941-P944 VanDerWaalsContact O-CG 3.31Å; T941-P944 WeakPolarHBondContact O-CG 3.23Å; T941-V945 WeakPolarHBondContact O-CG2 3.44Å; T941-V945 PolarHBondContact O-N 2.63Å |
| 942 | G | 85.9 | Confident | 88.2 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L938 L946 | L938-G942 VanDerWaalsContact O-CA 3.24Å; L938-G942 WeakPolarHBondContact O-CA 3.37Å; L938-G942 PolarHBondContact O-N 3.15Å; G942-L946 WeakPolarHBondContact O-CB 3.47Å; G942-L946 PolarHBondContact O-N 2.62Å |
| 943 | S | 84.4 | Confident | 88.7 | Confident | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -60 | 179 | -170.7 | 0 | 0 | 0 | 0 | 114 | Y371 N556 T941 V945 L946 M947 | Y371-S943 PolarHBondContact OH-OG 2.89Å; N556-S943 WeakPolarHBondContact ND2-CB 3.49Å; N556-S943 PolarHBondContact ND2-OG 2.7Å; T941-S943 VanDerWaalsContact C-N 3.26Å; T941-S943 PolarHBondContact O-N 3.12Å; S943-V945 VanDerWaalsContact C-N 3.33Å; S943-V945 PolarHBondContact O-N 3.21Å; S943-L946 PolarHBondContact O-N 2.78Å; S943-M947 WeakPolarHBondContact O-CB 3.35Å; S943-M947 PolarHBondContact O-N 2.96Å |
| 944 | P | 87.6 | Confident | 88.9 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | -179.5 | 22.8 | -33.6 | 0 | 0 | 0 | 112.5 | F424 H428 T941 M947 S948 | F424-P944 HydrophobicContact CB-CB 4.14Å; H428-P944 HydrophobicContact CB-CG 4.48Å; T941-P944 WeakPolarHBondContact O-CD 3.49Å; T941-P944 VanDerWaalsContact O-CG 3.31Å; T941-P944 WeakPolarHBondContact O-CG 3.23Å; P944-M947 PolarHBondContact O-N 3.26Å; P944-S948 VanDerWaalsContact O-CB 3.31Å; P944-S948 WeakPolarHBondContact O-CB 3.42Å; P944-S948 PolarHBondContact O-N 3.12Å |
| 945 | V | 89.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | Y914 H917 Y918 T941 S943 M947 S948 M949 Y982 | Y914-V945 HydrophobicContact CD1-CG1 4.05Å; Y914-V945 HydrophobicContact CG-CG1 4.02Å; H917-V945 HydrophobicContact CB-CG2 3.99Å; Y918-V945 HydrophobicContact CE1-CG2 4.34Å; Y918-V945 HydrophobicContact CE2-CG1 4.36Å; T941-V945 WeakPolarHBondContact O-CG2 3.44Å; T941-V945 PolarHBondContact O-N 2.63Å; S943-V945 VanDerWaalsContact C-N 3.33Å; S943-V945 PolarHBondContact O-N 3.21Å; V945-M947 VanDerWaalsContact C-N 3.32Å; V945-M947 PolarHBondContact O-N 3.01Å; V945-S948 WeakPolarHBondContact O-CB 3.37Å; V945-S948 PolarHBondContact O-N 2.77Å; V945-M949 PolarHBondContact O-N 3.26Å; V945-Y982 HydrophobicContact CG1-CD2 4.04Å; V945-Y982 HydrophobicContact CG1-CE2 4.23Å |
| 946 | L | 89.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 25.5 Ų | 25.5 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.4 | -177.9 | 74.9 | 0 | 0 | 0 | 111.2 | G942 S943 M949 L950 Y982 | G942-L946 WeakPolarHBondContact O-CB 3.47Å; G942-L946 PolarHBondContact O-N 2.62Å; S943-L946 PolarHBondContact O-N 2.78Å; L946-M949 HydrophobicContact CD1-CE 3.83Å; L946-M949 PolarHBondContact O-N 3.14Å; L946-L950 HydrophobicContact CG-CD1 4.32Å; L946-L950 WeakPolarHBondContact O-CG 3.34Å; L946-L950 PolarHBondContact O-N 3.05Å; L946-Y982 HydrophobicContact CB-CE2 4.45Å; L946-Y982 HydrophobicContact CD1-CE1 4.4Å; L946-Y982 HydrophobicContact CD1-CE2 4.1Å; L946-Y982 WeakPolarHBondContact CD1-OH 3.35Å |
| 947 | M | 88.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 23.8 Ų | 23.8 | 11% | 0.108 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -39.2 | -178.3 | -163.1 | 57 | -171.2 | 0 | 0 | 112 | A367 Y371 F424 S943 P944 V945 L950 T951 | A367-M947 HydrophobicContact CB-CE 3.9Å; Y371-M947 HydrophobicContact CD2-CG 4.3Å; Y371-M947 HydrophobicContact CG-CG 4.41Å; F424-M947 HydrophobicContact CD2-CB 4.39Å; F424-M947 HydrophobicContact CD2-CG 4.44Å; F424-M947 HydrophobicContact CE1-CG 4.26Å; F424-M947 HydrophobicContact CE2-CB 4.15Å; F424-M947 HydrophobicContact CE2-CG 3.78Å; F424-M947 HydrophobicContact CZ-CB 4.48Å; F424-M947 HydrophobicContact CZ-CG 3.69Å; S943-M947 WeakPolarHBondContact O-CB 3.35Å; S943-M947 PolarHBondContact O-N 2.96Å; P944-M947 PolarHBondContact O-N 3.26Å; V945-M947 VanDerWaalsContact C-N 3.32Å; V945-M947 PolarHBondContact O-N 3.01Å; M947-L950 PolarHBondContact O-N 3.01Å; M947-L950 HydrophobicContact SD-CD1 4.34Å; M947-T951 HydrophobicContact CE-CG2 4.36Å; M947-T951 WeakPolarHBondContact O-CG2 3.31Å; M947-T951 PolarHBondContact O-N 3.47Å; M947-T951 PolarHBondContact O-OG1 2.89Å; M947-T951 VanDerWaalsContact O-OG1 3.09Å |
| 948 | S | 89.5 | Confident | 89.7 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56 | -48.2 | 169.9 | 155 | 0 | 0 | 0 | 0 | 112.4 | D421 Y914 P944 V945 L950 T951 T952 | D421-S948 WeakPolarHBondContact OD1-CB 3.34Å; D421-S948 PolarHBondContact OD1-OG 3.05Å; D421-S948 PolarHBondContact OD2-OG 3.38Å; Y914-S948 WeakPolarHBondContact CE1-OG 3.2Å; Y914-S948 PolarHBondContact OH-OG 3.22Å; P944-S948 VanDerWaalsContact O-CB 3.31Å; P944-S948 WeakPolarHBondContact O-CB 3.42Å; P944-S948 PolarHBondContact O-N 3.12Å; V945-S948 WeakPolarHBondContact O-CB 3.37Å; V945-S948 PolarHBondContact O-N 2.77Å; S948-L950 VanDerWaalsContact C-N 3.35Å; S948-L950 PolarHBondContact O-N 3.02Å; S948-T951 WeakPolarHBondContact CA-OG1 3.23Å; S948-T951 PolarHBondContact O-N 2.96Å; S948-T951 PolarHBondContact O-OG1 2.99Å; S948-T952 WeakPolarHBondContact O-CB 3.45Å; S948-T952 PolarHBondContact O-N 3.44Å; S948-T952 PolarHBondContact O-OG1 3.27Å |
| 949 | M | 91.7 | Very high | 89.8 | Confident | 21 Ų | 21 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 176.1 | 180 | -152.1 | 68.2 | 0 | 0 | 111 | Y914 V945 L946 T951 T952 I953 A978 Y982 | Y914-M949 HydrophobicContact CE2-CB 4.46Å; V945-M949 PolarHBondContact O-N 3.26Å; L946-M949 HydrophobicContact CD1-CE 3.83Å; L946-M949 PolarHBondContact O-N 3.14Å; M949-T951 PolarHBondContact O-N 3.44Å; M949-T952 PolarHBondContact O-N 3.23Å; M949-I953 HydrophobicContact CE-CD1 4.18Å; M949-I953 HydrophobicContact CG-CD1 3.96Å; M949-I953 WeakPolarHBondContact O-CG1 3.16Å; M949-I953 PolarHBondContact O-N 2.89Å; M949-I953 HydrophobicContact SD-CD1 4.3Å; M949-A978 HydrophobicContact CG-CB 4.17Å; M949-Y982 HydrophobicContact CB-CD2 4.25Å; M949-Y982 HydrophobicContact CB-CG 4.42Å; M949-Y982 HydrophobicContact CG-CD2 4.44Å; M949-Y982 HydrophobicContact CG-CG 4.12Å; M949-Y982 VanDerWaalsContact SD-CB 3.58Å; M949-Y982 HydrophobicContact SD-CD1 3.44Å; M949-Y982 WeakPolarHBondContact SD-CD1 3.04Å; M949-Y982 HydrophobicContact SD-CD2 3.93Å; M949-Y982 HydrophobicContact SD-CE1 4.07Å; M949-Y982 HydrophobicContact SD-CE2 4.49Å; M949-Y982 HydrophobicContact SD-CG 3.35Å |
| 950 | L | 92 | Very high | 90.2 | Very high | 74 Ų | 74 | 24.1 Ų | 24.1 | 39% | 0.387 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | -179.9 | -70.7 | 172.7 | 0 | 0 | 0 | 112.6 | L946 M947 S948 I953 L954 | L946-L950 HydrophobicContact CG-CD1 4.32Å; L946-L950 WeakPolarHBondContact O-CG 3.34Å; L946-L950 PolarHBondContact O-N 3.05Å; M947-L950 PolarHBondContact O-N 3.01Å; M947-L950 HydrophobicContact SD-CD1 4.34Å; S948-L950 VanDerWaalsContact C-N 3.35Å; S948-L950 PolarHBondContact O-N 3.02Å; L950-I953 PolarHBondContact O-N 2.96Å; L950-L954 VanDerWaalsContact O-CB 3.3Å; L950-L954 WeakPolarHBondContact O-CB 3.23Å; L950-L954 PolarHBondContact O-N 2.77Å |
| 951 | T | 91.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 176.9 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | A367 F424 M947 S948 M949 L954 G955 | A367-T951 HydrophobicContact CB-CG2 3.8Å; F424-T951 HydrophobicContact CE2-CG2 3.94Å; F424-T951 HydrophobicContact CZ-CG2 4.04Å; M947-T951 HydrophobicContact CE-CG2 4.36Å; M947-T951 WeakPolarHBondContact O-CG2 3.31Å; M947-T951 PolarHBondContact O-N 3.47Å; M947-T951 PolarHBondContact O-OG1 2.89Å; M947-T951 VanDerWaalsContact O-OG1 3.09Å; S948-T951 WeakPolarHBondContact CA-OG1 3.23Å; S948-T951 PolarHBondContact O-N 2.96Å; S948-T951 PolarHBondContact O-OG1 2.99Å; M949-T951 PolarHBondContact O-N 3.44Å; T951-L954 PolarHBondContact O-N 3.33Å; T951-G955 PolarHBondContact O-N 2.86Å |
| 952 | T | 91.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | S948 M949 G955 G956 M974 A978 | S948-T952 WeakPolarHBondContact O-CB 3.45Å; S948-T952 PolarHBondContact O-N 3.44Å; S948-T952 PolarHBondContact O-OG1 3.27Å; M949-T952 PolarHBondContact O-N 3.23Å; T952-G955 PolarHBondContact O-N 3.45Å; T952-G956 PolarHBondContact O-N 2.94Å; T952-M974 HydrophobicContact CG2-CB 4.42Å; T952-M974 HydrophobicContact CG2-CE 3.53Å; T952-M974 HydrophobicContact CG2-SD 4.17Å; T952-A978 HydrophobicContact CG2-CB 3.82Å |
| 953 | I | 94 | Very high | 91.3 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 21% | 0.205 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.3 | -68.2 | 168.3 | 0 | 0 | 0 | 110.8 | M949 L950 G956 A957 I975 A978 I979 | M949-I953 HydrophobicContact CE-CD1 4.18Å; M949-I953 HydrophobicContact CG-CD1 3.96Å; M949-I953 WeakPolarHBondContact O-CG1 3.16Å; M949-I953 PolarHBondContact O-N 2.89Å; M949-I953 HydrophobicContact SD-CD1 4.3Å; L950-I953 PolarHBondContact O-N 2.96Å; I953-G956 PolarHBondContact O-N 3.44Å; I953-A957 VanDerWaalsContact O-CB 3.29Å; I953-A957 WeakPolarHBondContact O-CB 3.24Å; I953-A957 PolarHBondContact O-N 2.9Å; I953-I975 HydrophobicContact CG2-CG1 4.43Å; I953-A978 HydrophobicContact CD1-CB 4.47Å; I953-A978 HydrophobicContact CG1-CB 3.82Å; I953-I979 HydrophobicContact CD1-CD1 4.27Å; I953-I979 HydrophobicContact CD1-CG1 3.65Å; I953-I979 HydrophobicContact CG1-CG1 4.22Å |
| 954 | L | 92.6 | Very high | 91.6 | Very high | 69 Ų | 69 | 27 Ų | 27 | 36% | 0.361 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 179.7 | -175.1 | 62.5 | 0 | 0 | 0 | 111.7 | C363 L950 T951 A957 C958 | C363-L954 HydrophobicContact CB-CD2 3.82Å; C363-L954 HydrophobicContact CB-CG 4.01Å; L950-L954 VanDerWaalsContact O-CB 3.3Å; L950-L954 WeakPolarHBondContact O-CB 3.23Å; L950-L954 PolarHBondContact O-N 2.77Å; T951-L954 PolarHBondContact O-N 3.33Å; L954-A957 PolarHBondContact O-N 3.01Å; L954-C958 PolarHBondContact O-N 3.42Å; L954-C958 VanDerWaalsContact O-N 3.15Å; L954-C958 PolarHBondContact O-SG 2.81Å |
| 955 | G | 91.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T951 T952 A957 C958 M959 | T951-G955 PolarHBondContact O-N 2.86Å; T952-G955 PolarHBondContact O-N 3.45Å; G955-A957 PolarHBondContact O-N 3.24Å; G955-C958 PolarHBondContact O-N 3.06Å; G955-M959 WeakPolarHBondContact O-CG 3.16Å; G955-M959 PolarHBondContact O-N 3.11Å |
| 956 | G | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T952 I953 C958 M959 L960 G971 | T952-G956 PolarHBondContact O-N 2.94Å; I953-G956 PolarHBondContact O-N 3.44Å; G956-C958 PolarHBondContact O-N 3.18Å; G956-M959 WeakPolarHBondContact O-CB 3.49Å; G956-M959 PolarHBondContact O-N 2.97Å; G956-M959 VanDerWaalsContact O-N 3.12Å; G956-L960 PolarHBondContact O-N 3.16Å; G956-G971 WeakPolarHBondContact O-CA 2.76Å |
| 957 | A | 94.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 26.9 Ų | 26.9 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.4 | -39.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I953 L954 G955 M959 L960 I975 | I953-A957 VanDerWaalsContact O-CB 3.29Å; I953-A957 WeakPolarHBondContact O-CB 3.24Å; I953-A957 PolarHBondContact O-N 2.9Å; L954-A957 PolarHBondContact O-N 3.01Å; G955-A957 PolarHBondContact O-N 3.24Å; A957-M959 PolarHBondContact O-N 2.95Å; A957-L960 WeakPolarHBondContact O-CB 3.46Å; A957-L960 PolarHBondContact O-N 2.9Å; A957-I975 HydrophobicContact CB-CD1 4.4Å |
| 958 | C | 94.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 8% | 0.081 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -35.9 | 173.8 | -71.5 | 0 | 0 | 0 | 0 | 112 | A360 L954 G955 G956 L960 | A360-C958 HydrophobicContact CB-CB 3.77Å; L954-C958 PolarHBondContact O-N 3.42Å; L954-C958 VanDerWaalsContact O-N 3.15Å; L954-C958 PolarHBondContact O-SG 2.81Å; G955-C958 PolarHBondContact O-N 3.06Å; G956-C958 PolarHBondContact O-N 3.18Å; C958-L960 VanDerWaalsContact C-N 3.32Å; C958-L960 PolarHBondContact O-N 3.35Å |
| 959 | M | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.3 | -19.7 | -179.8 | -60.1 | -56 | -57.3 | 0 | 0 | 113.4 | V357 I413 G955 G956 A957 F961 S962 Y967 | V357-M959 HydrophobicContact CB-SD 4.46Å; V357-M959 HydrophobicContact CG2-CE 3.66Å; V357-M959 HydrophobicContact CG2-SD 3.83Å; I413-M959 HydrophobicContact CD1-CE 3.42Å; I413-M959 VanDerWaalsContact CD1-CE 3.42Å; I413-M959 HydrophobicContact CD1-CG 4.34Å; I413-M959 HydrophobicContact CD1-SD 3.9Å; I413-M959 HydrophobicContact CG1-CE 4.34Å; I413-M959 HydrophobicContact CG1-SD 4.23Å; I413-M959 HydrophobicContact CG2-CG 4.3Å; G955-M959 WeakPolarHBondContact O-CG 3.16Å; G955-M959 PolarHBondContact O-N 3.11Å; G956-M959 WeakPolarHBondContact O-CB 3.49Å; G956-M959 PolarHBondContact O-N 2.97Å; G956-M959 VanDerWaalsContact O-N 3.12Å; A957-M959 PolarHBondContact O-N 2.95Å; M959-F961 PolarHBondContact O-N 3.1Å; M959-F961 VanDerWaalsContact O-N 3.1Å; M959-S962 WeakPolarHBondContact O-CB 3.22Å; M959-S962 PolarHBondContact O-N 2.53Å; M959-S962 PolarHBondContact O-OG 3.44Å; M959-Y967 HydrophobicContact CE-CD1 3.8Å; M959-Y967 HydrophobicContact CE-CD2 4.18Å; M959-Y967 HydrophobicContact CE-CG 3.57Å |
| 960 | L | 93.4 | Very high | 91.8 | Very high | 55 Ų | 55 | 27.5 Ų | 27.5 | 29% | 0.288 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.9 | 179.1 | -66 | 179.8 | 0 | 0 | 0 | 113.3 | K607 G956 A957 C958 F968 V972 I975 | K607-L960 PolarHBondContact NZ-O 3.09Å; G956-L960 PolarHBondContact O-N 3.16Å; A957-L960 WeakPolarHBondContact O-CB 3.46Å; A957-L960 PolarHBondContact O-N 2.9Å; C958-L960 VanDerWaalsContact C-N 3.32Å; C958-L960 PolarHBondContact O-N 3.35Å; L960-F968 HydrophobicContact CD2-CD2 4.02Å; L960-F968 HydrophobicContact CD2-CE2 3.85Å; L960-F968 WeakPolarHBondContact O-CD2 3.34Å; L960-V972 HydrophobicContact CD2-CB 4.42Å; L960-V972 HydrophobicContact CD2-CG2 3.45Å; L960-V972 VanDerWaalsContact CD2-CG2 3.45Å; L960-I975 HydrophobicContact CD1-CD1 3.7Å; L960-I975 HydrophobicContact CD2-CD1 4.37Å; L960-I975 HydrophobicContact CG-CD1 4.11Å |
| 961 | F | 93 | Very high | 91.8 | Very high | 142 Ų | 142 | 24 Ų | 24 | 62% | 0.623 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11 | 179 | -60.7 | -73.3 | 0 | 0 | 0 | 114.1 | Y356 M959 | Y356-F961 HydrophobicContact CD1-CB 4.02Å; Y356-F961 HydrophobicContact CE1-CB 3.65Å; M959-F961 PolarHBondContact O-N 3.1Å; M959-F961 VanDerWaalsContact O-N 3.1Å |
| 962 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -61.4 | 152 | 178.3 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | K607 M959 Y967 F968 | K607-S962 WeakPolarHBondContact CE-O 3.46Å; K607-S962 PolarHBondContact NZ-O 3.03Å; M959-S962 WeakPolarHBondContact O-CB 3.22Å; M959-S962 PolarHBondContact O-N 2.53Å; M959-S962 PolarHBondContact O-OG 3.44Å; S962-Y967 VanDerWaalsContact OG-CB 3.29Å; S962-Y967 WeakPolarHBondContact OG-CB 3.42Å; S962-F968 PolarHBondContact OG-N 3.11Å; S962-F968 VanDerWaalsContact OG-N 3.07Å | ||
| 963 | T | 90.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 24.8 Ų | 24.8 | 27% | 0.27 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -87.9 | -35.2 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | D353 K607 | D353-T963 PolarHBondContact OD1-OG1 2.88Å; D353-T963 WeakPolarHBondContact OD2-CA 3.38Å; D353-T963 PolarHBondContact OD2-N 3.29Å; D353-T963 PolarHBondContact OD2-OG1 3.48Å; K607-T963 PolarHBondContact N-O 3.39Å |
| 964 | V | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -66.6 | 128.9 | 176 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F346 M349 D353 A966 Y967 F968 | F346-V964 HydrophobicContact CD2-CG2 4.46Å; F346-V964 HydrophobicContact CE2-CG1 3.76Å; F346-V964 HydrophobicContact CE2-CG2 4.32Å; F346-V964 HydrophobicContact CZ-CG1 4.43Å; M349-V964 HydrophobicContact CB-CG2 4.2Å; D353-V964 WeakPolarHBondContact OD2-CG2 3.29Å; D353-V964 PolarHBondContact OD2-N 3.34Å; V964-A966 HydrophobicContact CG1-CB 4.2Å; V964-A966 PolarHBondContact O-N 3.08Å; V964-Y967 HydrophobicContact CB-CD2 3.99Å; V964-Y967 HydrophobicContact CG1-CD2 4.27Å; V964-Y967 PolarHBondContact O-N 3.12Å; V964-F968 PolarHBondContact O-N 3.21Å |
| 965 | Y | 89.5 | Confident | 91.8 | Very high | 30 Ų | 30 | 21.1 Ų | 21.1 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | -175.2 | -173.9 | -114.4 | 0 | 0 | 0 | 112.3 | R604 F605 Y967 F968 Q969 | R604-Y965 HydrophobicContact CB-CD1 4.28Å; F605-Y965 WeakPolarHBondContact O-CB 2.86Å; F605-Y965 PolarHBondContact O-N 2.95Å; Y965-Y967 VanDerWaalsContact C-N 3.34Å; Y965-Y967 PolarHBondContact O-N 3.02Å; Y965-F968 HydrophobicContact CD2-CD1 4.28Å; Y965-F968 HydrophobicContact CE2-CD1 4.29Å; Y965-F968 PolarHBondContact O-N 3.02Å; Y965-Q969 WeakPolarHBondContact O-CB 3.29Å; Y965-Q969 PolarHBondContact O-N 3.48Å |
| 966 | A | 88.7 | Confident | 92 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F406 L410 I899 V964 I970 | F406-A966 HydrophobicContact CE2-CB 3.98Å; L410-A966 HydrophobicContact CD1-CB 4.41Å; L410-A966 HydrophobicContact CD2-CB 4.49Å; I899-A966 HydrophobicContact CD1-CB 3.82Å; V964-A966 HydrophobicContact CG1-CB 4.2Å; V964-A966 PolarHBondContact O-N 3.08Å; A966-I970 PolarHBondContact O-N 2.87Å; A966-I970 VanDerWaalsContact O-N 3.11Å |
| 967 | Y | 91 | Very high | 92 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 176.6 | -74.7 | -25 | 0 | 0 | 0 | 112.2 | L350 D353 L410 I413 M959 S962 V964 Y965 Q969 I970 G971 | L350-Y967 HydrophobicContact CD1-CE2 3.92Å; L350-Y967 WeakPolarHBondContact CD1-OH 3.25Å; D353-Y967 HydrophobicContact CB-CD2 3.76Å; D353-Y967 HydrophobicContact CB-CE2 3.86Å; L410-Y967 HydrophobicContact CD2-CD1 3.28Å; L410-Y967 HydrophobicContact CD2-CE1 3.39Å; I413-Y967 HydrophobicContact CD1-CD1 3.94Å; I413-Y967 HydrophobicContact CD1-CE1 4.22Å; M959-Y967 HydrophobicContact CE-CD1 3.8Å; M959-Y967 HydrophobicContact CE-CD2 4.18Å; M959-Y967 HydrophobicContact CE-CG 3.57Å; S962-Y967 VanDerWaalsContact OG-CB 3.29Å; S962-Y967 WeakPolarHBondContact OG-CB 3.42Å; V964-Y967 HydrophobicContact CB-CD2 3.99Å; V964-Y967 HydrophobicContact CG1-CD2 4.27Å; V964-Y967 PolarHBondContact O-N 3.12Å; Y965-Y967 VanDerWaalsContact C-N 3.34Å; Y965-Y967 PolarHBondContact O-N 3.02Å; Y967-Q969 VanDerWaalsContact C-N 3.28Å; Y967-Q969 PolarHBondContact O-N 3.06Å; Y967-I970 PolarHBondContact O-N 1.98Å; Y967-G971 PolarHBondContact O-N 3.15Å |
| 968 | F | 91.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 21.7 Ų | 21.7 | 24% | 0.241 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 175.7 | 168.8 | -102.1 | 0 | 0 | 0 | 111.4 | L960 S962 V964 Y965 G971 V972 | L960-F968 HydrophobicContact CD2-CD2 4.02Å; L960-F968 HydrophobicContact CD2-CE2 3.85Å; L960-F968 WeakPolarHBondContact O-CD2 3.34Å; S962-F968 PolarHBondContact OG-N 3.11Å; S962-F968 VanDerWaalsContact OG-N 3.07Å; V964-F968 PolarHBondContact O-N 3.21Å; Y965-F968 HydrophobicContact CD2-CD1 4.28Å; Y965-F968 HydrophobicContact CE2-CD1 4.29Å; Y965-F968 PolarHBondContact O-N 3.02Å; F968-G971 WeakPolarHBondContact O-CA 2.99Å; F968-G971 PolarHBondContact O-N 3.17Å; F968-V972 HydrophobicContact CE1-CG2 4.05Å; F968-V972 HydrophobicContact CE2-CG2 4.03Å; F968-V972 HydrophobicContact CZ-CG2 3.77Å; F968-V972 PolarHBondContact O-N 2.99Å |
| 969 | Q | 90.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | -177.4 | -168.8 | 175.2 | 6.2 | 0 | 0 | 112.3 | W894 E900 I903 Y965 Y967 G971 V972 F973 | W894-Q969 HydrophobicContact CE3-CG 4.19Å; W894-Q969 VanDerWaalsContact CE3-NE2 3.29Å; W894-Q969 HydrophobicContact CH2-CB 4.24Å; W894-Q969 HydrophobicContact CH2-CG 3.1Å; W894-Q969 WeakPolarHBondContact CH2-O 3.29Å; W894-Q969 HydrophobicContact CZ2-CG 3.6Å; W894-Q969 HydrophobicContact CZ3-CG 3.41Å; W894-Q969 VanDerWaalsContact CZ3-CG 3.41Å; E900-Q969 PolarHBondContact OE1-NE2 3.17Å; I903-Q969 HydrophobicContact CD1-CG 4.01Å; Y965-Q969 WeakPolarHBondContact O-CB 3.29Å; Y965-Q969 PolarHBondContact O-N 3.48Å; Y967-Q969 VanDerWaalsContact C-N 3.28Å; Y967-Q969 PolarHBondContact O-N 3.06Å; Q969-G971 VanDerWaalsContact C-N 3.28Å; Q969-G971 PolarHBondContact O-N 3.19Å; Q969-V972 PolarHBondContact O-N 2.96Å; Q969-F973 WeakPolarHBondContact O-CB 3.39Å; Q969-F973 PolarHBondContact O-N 2.94Å |
| 970 | I | 89.2 | Confident | 92.1 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 173.9 | -73.8 | -174 | 0 | 0 | 0 | 111.6 | L410 I413 I903 A966 Y967 F973 M974 | L410-I970 HydrophobicContact CB-CD1 3.46Å; L410-I970 VanDerWaalsContact CB-CD1 3.46Å; L410-I970 HydrophobicContact CD1-CD1 3.33Å; L410-I970 HydrophobicContact CD1-CG1 4.43Å; L410-I970 HydrophobicContact CD2-CD1 3.86Å; L410-I970 HydrophobicContact CG-CD1 3.68Å; I413-I970 HydrophobicContact CG2-CG2 4.47Å; I903-I970 HydrophobicContact CD1-CG1 3.95Å; I903-I970 HydrophobicContact CG1-CG1 4.33Å; A966-I970 PolarHBondContact O-N 2.87Å; A966-I970 VanDerWaalsContact O-N 3.11Å; Y967-I970 PolarHBondContact O-N 1.98Å; I970-F973 PolarHBondContact O-N 2.01Å; I970-M974 HydrophobicContact CG2-CG 4.01Å; I970-M974 WeakPolarHBondContact O-CB 3.38Å; I970-M974 WeakPolarHBondContact O-CG 3.48Å; I970-M974 PolarHBondContact O-N 3.09Å |
| 971 | G | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.4 | -49.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G956 Y967 F968 Q969 I975 | G956-G971 WeakPolarHBondContact O-CA 2.76Å; Y967-G971 PolarHBondContact O-N 3.15Å; F968-G971 WeakPolarHBondContact O-CA 2.99Å; F968-G971 PolarHBondContact O-N 3.17Å; Q969-G971 VanDerWaalsContact C-N 3.28Å; Q969-G971 PolarHBondContact O-N 3.19Å; G971-I975 WeakPolarHBondContact O-CD1 3.03Å; G971-I975 WeakPolarHBondContact O-CG1 3.37Å; G971-I975 PolarHBondContact O-N 3.04Å |
| 972 | V | 92.8 | Very high | 92.2 | Very high | 24 Ų | 24 | 17.4 Ų | 17.4 | 15% | 0.145 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | L892 W894 L960 F968 Q969 M974 I975 L976 | L892-V972 HydrophobicContact CD1-CG1 4.08Å; W894-V972 HydrophobicContact CZ2-CB 4.2Å; W894-V972 HydrophobicContact CZ2-CG1 4.06Å; L960-V972 HydrophobicContact CD2-CB 4.42Å; L960-V972 HydrophobicContact CD2-CG2 3.45Å; L960-V972 VanDerWaalsContact CD2-CG2 3.45Å; F968-V972 HydrophobicContact CE1-CG2 4.05Å; F968-V972 HydrophobicContact CE2-CG2 4.03Å; F968-V972 HydrophobicContact CZ-CG2 3.77Å; F968-V972 PolarHBondContact O-N 2.99Å; Q969-V972 PolarHBondContact O-N 2.96Å; V972-M974 PolarHBondContact O-N 3.1Å; V972-I975 PolarHBondContact O-N 2.03Å; V972-L976 HydrophobicContact CG1-CD1 3.88Å; V972-L976 HydrophobicContact CG1-CG 4.42Å; V972-L976 WeakPolarHBondContact O-CG 3.07Å; V972-L976 PolarHBondContact O-N 3Å |
| 973 | F | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | -179.8 | 171.1 | -101.3 | 0 | 0 | 0 | 112.5 | L885 W894 I903 L906 A907 Q969 I970 I975 L976 L977 | L885-F973 HydrophobicContact CD2-CE2 3.9Å; W894-F973 HydrophobicContact CH2-CB 4.48Å; I903-F973 HydrophobicContact CG2-CB 3.99Å; I903-F973 HydrophobicContact CG2-CD1 3.83Å; I903-F973 HydrophobicContact CG2-CD2 3.1Å; I903-F973 HydrophobicContact CG2-CE1 4.09Å; I903-F973 HydrophobicContact CG2-CE2 3.35Å; I903-F973 HydrophobicContact CG2-CG 3.33Å; I903-F973 HydrophobicContact CG2-CZ 3.84Å; L906-F973 HydrophobicContact CD2-CD1 4.02Å; L906-F973 HydrophobicContact CD2-CE1 3.33Å; L906-F973 HydrophobicContact CD2-CZ 4.05Å; L906-F973 HydrophobicContact CG-CE1 4.08Å; L906-F973 HydrophobicContact CG-CZ 4.42Å; A907-F973 HydrophobicContact CB-CE2 3.76Å; A907-F973 HydrophobicContact CB-CZ 3.68Å; Q969-F973 WeakPolarHBondContact O-CB 3.39Å; Q969-F973 PolarHBondContact O-N 2.94Å; I970-F973 PolarHBondContact O-N 2.01Å; F973-I975 VanDerWaalsContact C-N 3.3Å; F973-I975 PolarHBondContact O-N 3.29Å; F973-L976 PolarHBondContact O-N 3.19Å; F973-L977 HydrophobicContact CE1-CB 4.27Å; F973-L977 HydrophobicContact CE1-CD2 3.69Å; F973-L977 HydrophobicContact CE1-CG 4.5Å; F973-L977 HydrophobicContact CE2-CB 4.38Å; F973-L977 HydrophobicContact CZ-CB 4.15Å; F973-L977 HydrophobicContact CZ-CD1 4.25Å; F973-L977 HydrophobicContact CZ-CD2 3.82Å; F973-L977 HydrophobicContact CZ-CG 4.3Å; F973-L977 WeakPolarHBondContact O-CB 2.99Å; F973-L977 PolarHBondContact O-N 3.03Å |
| 974 | M | 90.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 179.5 | -75 | -74.9 | -79.7 | 0 | 0 | 112 | L414 T952 I970 V972 A978 | L414-M974 HydrophobicContact CD2-SD 3.76Å; T952-M974 HydrophobicContact CG2-CB 4.42Å; T952-M974 HydrophobicContact CG2-CE 3.53Å; T952-M974 HydrophobicContact CG2-SD 4.17Å; I970-M974 HydrophobicContact CG2-CG 4.01Å; I970-M974 WeakPolarHBondContact O-CB 3.38Å; I970-M974 WeakPolarHBondContact O-CG 3.48Å; I970-M974 PolarHBondContact O-N 3.09Å; V972-M974 PolarHBondContact O-N 3.1Å; M974-A978 VanDerWaalsContact O-CB 3.25Å; M974-A978 WeakPolarHBondContact O-CB 3.48Å; M974-A978 PolarHBondContact O-N 3.07Å |
| 975 | I | 94.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 17.3 Ų | 17.3 | 15% | 0.154 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -49.4 | 176.3 | -65.5 | 165.3 | 0 | 0 | 0 | 110.5 | I953 A957 L960 G971 V972 F973 A978 I979 | I953-I975 HydrophobicContact CG2-CG1 4.43Å; A957-I975 HydrophobicContact CB-CD1 4.4Å; L960-I975 HydrophobicContact CD1-CD1 3.7Å; L960-I975 HydrophobicContact CD2-CD1 4.37Å; L960-I975 HydrophobicContact CG-CD1 4.11Å; G971-I975 WeakPolarHBondContact O-CD1 3.03Å; G971-I975 WeakPolarHBondContact O-CG1 3.37Å; G971-I975 PolarHBondContact O-N 3.04Å; V972-I975 PolarHBondContact O-N 2.03Å; F973-I975 VanDerWaalsContact C-N 3.3Å; F973-I975 PolarHBondContact O-N 3.29Å; I975-A978 PolarHBondContact O-N 3.22Å; I975-I979 HydrophobicContact CG2-CD1 3.74Å; I975-I979 VanDerWaalsContact O-CG1 3.29Å; I975-I979 WeakPolarHBondContact O-CG1 3.14Å; I975-I979 PolarHBondContact O-N 3.13Å; I975-I979 VanDerWaalsContact O-N 3.1Å |
| 976 | L | 94.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 15.9 Ų | 15.9 | 20% | 0.204 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | -179.6 | -72.3 | 173.7 | 0 | 0 | 0 | 111.5 | L885 L889 L892 V972 F973 A978 I979 V980 | L885-L976 HydrophobicContact CD1-CB 3.8Å; L889-L976 HydrophobicContact CD2-CD1 3.98Å; L892-L976 HydrophobicContact CD1-CD1 3.76Å; V972-L976 HydrophobicContact CG1-CD1 3.88Å; V972-L976 HydrophobicContact CG1-CG 4.42Å; V972-L976 WeakPolarHBondContact O-CG 3.07Å; V972-L976 PolarHBondContact O-N 3Å; F973-L976 PolarHBondContact O-N 3.19Å; L976-A978 PolarHBondContact O-N 3.32Å; L976-I979 PolarHBondContact O-N 3.02Å; L976-V980 VanDerWaalsContact O-CB 3.28Å; L976-V980 WeakPolarHBondContact O-CB 3.44Å; L976-V980 WeakPolarHBondContact O-CG2 3.45Å; L976-V980 PolarHBondContact O-N 3.23Å |
| 977 | L | 93.4 | Very high | 93 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 178.3 | 176 | 71.8 | 0 | 0 | 0 | 111.2 | L885 L910 S911 F973 S981 | L885-L977 HydrophobicContact CD2-CD1 3.9Å; L910-L977 HydrophobicContact CB-CD1 4.46Å; L910-L977 HydrophobicContact CB-CD2 3.56Å; L910-L977 HydrophobicContact CB-CG 4.49Å; L910-L977 HydrophobicContact CD1-CD2 3.54Å; L910-L977 HydrophobicContact CG-CD2 4.2Å; S911-L977 WeakPolarHBondContact OG-CD1 3.34Å; F973-L977 HydrophobicContact CE1-CB 4.27Å; F973-L977 HydrophobicContact CE1-CD2 3.69Å; F973-L977 HydrophobicContact CE1-CG 4.5Å; F973-L977 HydrophobicContact CE2-CB 4.38Å; F973-L977 HydrophobicContact CZ-CB 4.15Å; F973-L977 HydrophobicContact CZ-CD1 4.25Å; F973-L977 HydrophobicContact CZ-CD2 3.82Å; F973-L977 HydrophobicContact CZ-CG 4.3Å; F973-L977 WeakPolarHBondContact O-CB 2.99Å; F973-L977 PolarHBondContact O-N 3.03Å; L977-S981 WeakPolarHBondContact O-CB 3.01Å; L977-S981 PolarHBondContact O-N 3.28Å; L977-S981 PolarHBondContact O-OG 3.37Å |
| 978 | A | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M949 T952 I953 M974 I975 L976 Y982 | M949-A978 HydrophobicContact CG-CB 4.17Å; T952-A978 HydrophobicContact CG2-CB 3.82Å; I953-A978 HydrophobicContact CD1-CB 4.47Å; I953-A978 HydrophobicContact CG1-CB 3.82Å; M974-A978 VanDerWaalsContact O-CB 3.25Å; M974-A978 WeakPolarHBondContact O-CB 3.48Å; M974-A978 PolarHBondContact O-N 3.07Å; I975-A978 PolarHBondContact O-N 3.22Å; L976-A978 PolarHBondContact O-N 3.32Å; A978-Y982 WeakPolarHBondContact O-CB 3.25Å; A978-Y982 PolarHBondContact O-N 2.03Å |
| 979 | I | 94.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 15.3 Ų | 15.3 | 39% | 0.385 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -66 | -49.2 | -178.8 | -65.9 | 169.6 | 0 | 0 | 0 | 110.8 | I953 I975 L976 C983 | I953-I979 HydrophobicContact CD1-CD1 4.27Å; I953-I979 HydrophobicContact CD1-CG1 3.65Å; I953-I979 HydrophobicContact CG1-CG1 4.22Å; I975-I979 HydrophobicContact CG2-CD1 3.74Å; I975-I979 VanDerWaalsContact O-CG1 3.29Å; I975-I979 WeakPolarHBondContact O-CG1 3.14Å; I975-I979 PolarHBondContact O-N 3.13Å; I975-I979 VanDerWaalsContact O-N 3.1Å; L976-I979 PolarHBondContact O-N 3.02Å; I979-C983 WeakPolarHBondContact O-CB 3.25Å; I979-C983 PolarHBondContact O-N 2.93Å; I979-C983 PolarHBondContact O-SG 3.43Å |
| 980 | V | 94.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.5 | -53.4 | -178.2 | 171.8 | 0 | 0 | 0 | 0 | 110 | A881 F884 L885 L976 Y982 C983 F984 | A881-V980 HydrophobicContact CB-CG1 4.36Å; F884-V980 HydrophobicContact CD1-CB 4.43Å; F884-V980 HydrophobicContact CD1-CG1 3.79Å; F884-V980 HydrophobicContact CD1-CG2 3.72Å; F884-V980 HydrophobicContact CE1-CG2 3.81Å; L885-V980 HydrophobicContact CB-CG1 4.41Å; L885-V980 HydrophobicContact CD1-CG2 4.41Å; L976-V980 VanDerWaalsContact O-CB 3.28Å; L976-V980 WeakPolarHBondContact O-CB 3.44Å; L976-V980 WeakPolarHBondContact O-CG2 3.45Å; L976-V980 PolarHBondContact O-N 3.23Å; V980-Y982 VanDerWaalsContact C-N 3.29Å; V980-Y982 PolarHBondContact O-N 3.08Å; V980-C983 PolarHBondContact O-N 3.45Å; V980-F984 HydrophobicContact CG1-CD2 3.72Å; V980-F984 HydrophobicContact CG1-CE2 3.88Å; V980-F984 VanDerWaalsContact O-CD2 3.31Å; V980-F984 WeakPolarHBondContact O-CD2 3.26Å; V980-F984 PolarHBondContact O-N 2.7Å |
| 981 | S | 93.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | -178.2 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L977 A985 | L977-S981 WeakPolarHBondContact O-CB 3.01Å; L977-S981 PolarHBondContact O-N 3.28Å; L977-S981 PolarHBondContact O-OG 3.37Å; S981-A985 WeakPolarHBondContact O-CB 3.46Å; S981-A985 PolarHBondContact O-N 3.2Å |
| 982 | Y | 94.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 12% | 0.122 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 177.4 | 176.6 | -96.8 | 0 | 0 | 0 | 111.9 | V945 L946 M949 A978 V980 A985 T986 | V945-Y982 HydrophobicContact CG1-CD2 4.04Å; V945-Y982 HydrophobicContact CG1-CE2 4.23Å; L946-Y982 HydrophobicContact CB-CE2 4.45Å; L946-Y982 HydrophobicContact CD1-CE1 4.4Å; L946-Y982 HydrophobicContact CD1-CE2 4.1Å; L946-Y982 WeakPolarHBondContact CD1-OH 3.35Å; M949-Y982 HydrophobicContact CB-CD2 4.25Å; M949-Y982 HydrophobicContact CB-CG 4.42Å; M949-Y982 HydrophobicContact CG-CD2 4.44Å; M949-Y982 HydrophobicContact CG-CG 4.12Å; M949-Y982 VanDerWaalsContact SD-CB 3.58Å; M949-Y982 HydrophobicContact SD-CD1 3.44Å; M949-Y982 WeakPolarHBondContact SD-CD1 3.04Å; M949-Y982 HydrophobicContact SD-CD2 3.93Å; M949-Y982 HydrophobicContact SD-CE1 4.07Å; M949-Y982 HydrophobicContact SD-CE2 4.49Å; M949-Y982 HydrophobicContact SD-CG 3.35Å; A978-Y982 WeakPolarHBondContact O-CB 3.25Å; A978-Y982 PolarHBondContact O-N 2.03Å; V980-Y982 VanDerWaalsContact C-N 3.29Å; V980-Y982 PolarHBondContact O-N 3.08Å; Y982-A985 PolarHBondContact O-N 3.25Å; Y982-T986 HydrophobicContact CD1-CG2 4.36Å; Y982-T986 HydrophobicContact CD2-CG2 3.96Å; Y982-T986 HydrophobicContact CE1-CG2 3.99Å; Y982-T986 HydrophobicContact CE2-CG2 3.55Å; Y982-T986 HydrophobicContact CG-CG2 4.35Å; Y982-T986 WeakPolarHBondContact O-CB 3.23Å; Y982-T986 WeakPolarHBondContact O-CG2 3.35Å; Y982-T986 PolarHBondContact O-N 2.88Å; Y982-T986 PolarHBondContact O-OG1 3.04Å |
| 983 | C | 94.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 14.7 Ų | 14.7 | 25% | 0.25 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | -179.6 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | F578 I979 V980 T986 F987 | F578-C983 HydrophobicContact CE1-CB 4.35Å; I979-C983 WeakPolarHBondContact O-CB 3.25Å; I979-C983 PolarHBondContact O-N 2.93Å; I979-C983 PolarHBondContact O-SG 3.43Å; V980-C983 PolarHBondContact O-N 3.45Å; C983-T986 PolarHBondContact O-N 3.23Å; C983-T986 PolarHBondContact O-OG1 2.67Å; C983-F987 HydrophobicContact CB-CD2 4.24Å; C983-F987 WeakPolarHBondContact O-CB 3.3Å; C983-F987 VanDerWaalsContact O-CD2 3.23Å; C983-F987 WeakPolarHBondContact O-CD2 2.92Å; C983-F987 PolarHBondContact O-N 3.11Å |
| 984 | F | 94.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 2% | 0.022 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -69.2 | -38.7 | 178.5 | -78.1 | -85.4 | 0 | 0 | 0 | 112 | F578 L581 V880 A881 F884 V980 L988 F989 | F578-F984 HydrophobicContact CB-CD1 4.38Å; F578-F984 HydrophobicContact CB-CE1 4.16Å; F578-F984 AromaticContact CD1-CD1 3.91Å; F578-F984 HydrophobicContact CD1-CD1 3.91Å; F578-F984 AromaticContact CD1-CE1 3.71Å; F578-F984 HydrophobicContact CD1-CE1 3.71Å; F578-F984 HydrophobicContact CD1-CG 4.41Å; F578-F984 HydrophobicContact CD1-CZ 4.06Å; F578-F984 HydrophobicContact CG-CE1 4.45Å; L581-F984 HydrophobicContact CD2-CZ 4.41Å; V880-F984 HydrophobicContact CG1-CD1 3.75Å; V880-F984 HydrophobicContact CG1-CE1 3.33Å; V880-F984 HydrophobicContact CG1-CZ 4.18Å; A881-F984 HydrophobicContact CB-CB 3.91Å; A881-F984 HydrophobicContact CB-CD2 4.02Å; A881-F984 HydrophobicContact CB-CG 3.92Å; F884-F984 HydrophobicContact CB-CE2 3.82Å; F884-F984 HydrophobicContact CB-CZ 3.83Å; F884-F984 AromaticContact CD1-CE2 3.82Å; F884-F984 HydrophobicContact CD1-CE2 3.82Å; F884-F984 HydrophobicContact CD1-CZ 4.4Å; F884-F984 HydrophobicContact CD2-CE2 4.24Å; F884-F984 HydrophobicContact CD2-CZ 4.01Å; F884-F984 HydrophobicContact CE1-CE2 4.49Å; F884-F984 AromaticContact CG-CE2 3.67Å; F884-F984 HydrophobicContact CG-CE2 3.67Å; F884-F984 AromaticContact CG-CZ 3.8Å; F884-F984 HydrophobicContact CG-CZ 3.8Å; V980-F984 HydrophobicContact CG1-CD2 3.72Å; V980-F984 HydrophobicContact CG1-CE2 3.88Å; V980-F984 VanDerWaalsContact O-CD2 3.31Å; V980-F984 WeakPolarHBondContact O-CD2 3.26Å; V980-F984 PolarHBondContact O-N 2.7Å; F984-L988 HydrophobicContact CD1-CB 4.39Å; F984-L988 HydrophobicContact CD1-CD2 3.98Å; F984-L988 WeakPolarHBondContact O-CA 3.12Å; F984-L988 VanDerWaalsContact O-CB 3.24Å; F984-L988 WeakPolarHBondContact O-CB 3.25Å; F984-L988 PolarHBondContact O-N 3.45Å; F984-F989 PolarHBondContact O-N 3.13Å; F984-F989 VanDerWaalsContact O-N 3.15Å |
| 985 | A | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -65.8 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y918 S981 Y982 F989 | Y918-A985 HydrophobicContact CD2-CB 4.18Å; Y918-A985 HydrophobicContact CE2-CB 4.09Å; S981-A985 WeakPolarHBondContact O-CB 3.46Å; S981-A985 PolarHBondContact O-N 3.2Å; Y982-A985 PolarHBondContact O-N 3.25Å; A985-F989 WeakPolarHBondContact O-CB 3.23Å |
| 986 | T | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -79 | -44.5 | -178.9 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | Y918 Y982 C983 L990 | Y918-T986 HydrophobicContact CE2-CG2 3.97Å; Y918-T986 WeakPolarHBondContact OH-CG2 3.4Å; Y982-T986 HydrophobicContact CD1-CG2 4.36Å; Y982-T986 HydrophobicContact CD2-CG2 3.96Å; Y982-T986 HydrophobicContact CE1-CG2 3.99Å; Y982-T986 HydrophobicContact CE2-CG2 3.55Å; Y982-T986 HydrophobicContact CG-CG2 4.35Å; Y982-T986 WeakPolarHBondContact O-CB 3.23Å; Y982-T986 WeakPolarHBondContact O-CG2 3.35Å; Y982-T986 PolarHBondContact O-N 2.88Å; Y982-T986 PolarHBondContact O-OG1 3.04Å; C983-T986 PolarHBondContact O-N 3.23Å; C983-T986 PolarHBondContact O-OG1 2.67Å; T986-L990 VanDerWaalsContact O-CB 3.28Å; T986-L990 WeakPolarHBondContact O-CB 3.31Å; T986-L990 WeakPolarHBondContact O-CD1 3.34Å; T986-L990 WeakPolarHBondContact O-CG 3.37Å |
| 987 | F | 94.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 15 Ų | 15 | 23% | 0.228 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -91.8 | -40.5 | -173.5 | -61.5 | -62.9 | 0 | 0 | 0 | 113.3 | L563 I567 L574 F578 C983 S991 | L563-F987 HydrophobicContact CD1-CE1 4.25Å; I567-F987 HydrophobicContact CG1-CD1 4.41Å; L574-F987 HydrophobicContact CD1-CD1 4.32Å; L574-F987 HydrophobicContact CD2-CD1 4.38Å; F578-F987 HydrophobicContact CD2-CB 3.8Å; F578-F987 HydrophobicContact CE1-CB 4.39Å; F578-F987 HydrophobicContact CE1-CD2 4.36Å; F578-F987 HydrophobicContact CE2-CB 3.41Å; F578-F987 VanDerWaalsContact CE2-CB 3.41Å; F578-F987 HydrophobicContact CE2-CD2 4.03Å; F578-F987 AromaticContact CE2-CG 3.85Å; F578-F987 HydrophobicContact CE2-CG 3.85Å; F578-F987 HydrophobicContact CG-CB 4.44Å; F578-F987 HydrophobicContact CZ-CB 3.74Å; F578-F987 AromaticContact CZ-CD2 3.6Å; F578-F987 HydrophobicContact CZ-CD2 3.6Å; F578-F987 AromaticContact CZ-CG 3.91Å; F578-F987 HydrophobicContact CZ-CG 3.91Å; C983-F987 HydrophobicContact CB-CD2 4.24Å; C983-F987 WeakPolarHBondContact O-CB 3.3Å; C983-F987 VanDerWaalsContact O-CD2 3.23Å; C983-F987 WeakPolarHBondContact O-CD2 2.92Å; C983-F987 PolarHBondContact O-N 3.11Å; F987-S991 WeakPolarHBondContact O-CB 3.11Å; F987-S991 PolarHBondContact O-OG 3.44Å |
| 988 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -83.8 | -54.1 | -178.2 | -176.8 | 63.1 | 0 | 0 | 0 | 111.2 | F575 F578 L579 T877 V880 F984 S991 M992 | F575-L988 HydrophobicContact CD2-CD1 3.82Å; F575-L988 HydrophobicContact CE2-CD1 4.37Å; F578-L988 HydrophobicContact CB-CB 4.03Å; F578-L988 HydrophobicContact CB-CD1 4.07Å; F578-L988 HydrophobicContact CB-CG 4.43Å; L579-L988 HydrophobicContact CB-CD1 4.4Å; T877-L988 HydrophobicContact CG2-CB 4.18Å; T877-L988 HydrophobicContact CG2-CD2 3.77Å; T877-L988 HydrophobicContact CG2-CG 3.68Å; V880-L988 HydrophobicContact CB-CD2 4.45Å; V880-L988 HydrophobicContact CG1-CD2 4.15Å; F984-L988 HydrophobicContact CD1-CB 4.39Å; F984-L988 HydrophobicContact CD1-CD2 3.98Å; F984-L988 WeakPolarHBondContact O-CA 3.12Å; F984-L988 VanDerWaalsContact O-CB 3.24Å; F984-L988 WeakPolarHBondContact O-CB 3.25Å; F984-L988 PolarHBondContact O-N 3.45Å; L988-S991 PolarHBondContact O-N 3.43Å; L988-M992 HydrophobicContact CD1-SD 4.13Å; L988-M992 HydrophobicContact CG-SD 4.03Å; L988-M992 WeakPolarHBondContact O-CG 3.28Å; L988-M992 PolarHBondContact O-N 3.38Å |
| 989 | F | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -65.8 | -44.5 | -174.3 | 178.4 | -106.4 | 0 | 0 | 0 | 112.7 | L870 M873 T874 T877 T915 Y918 A919 F984 A985 S991 M992 I993 | L870-F989 HydrophobicContact CD1-CE2 4.22Å; L870-F989 HydrophobicContact CD1-CZ 3.84Å; M873-F989 HydrophobicContact CB-CD2 4.31Å; M873-F989 HydrophobicContact CB-CE2 4.1Å; T874-F989 VanDerWaalsContact OG1-CE2 3.3Å; T874-F989 WeakPolarHBondContact OG1-CE2 3.26Å; T877-F989 HydrophobicContact CG2-CB 3.64Å; T877-F989 HydrophobicContact CG2-CD2 4.14Å; T877-F989 HydrophobicContact CG2-CG 4.41Å; T915-F989 HydrophobicContact CG2-CB 4.05Å; T915-F989 HydrophobicContact CG2-CD1 3.92Å; T915-F989 HydrophobicContact CG2-CD2 3.53Å; T915-F989 HydrophobicContact CG2-CE1 4.21Å; T915-F989 HydrophobicContact CG2-CE2 3.86Å; T915-F989 HydrophobicContact CG2-CG 3.57Å; T915-F989 HydrophobicContact CG2-CZ 4.18Å; Y918-F989 HydrophobicContact CD2-CD1 4.48Å; A919-F989 HydrophobicContact CB-CE1 4.34Å; A919-F989 HydrophobicContact CB-CZ 3.81Å; F984-F989 PolarHBondContact O-N 3.13Å; F984-F989 VanDerWaalsContact O-N 3.15Å; A985-F989 WeakPolarHBondContact O-CB 3.23Å; F989-S991 VanDerWaalsContact C-N 3.33Å; F989-S991 PolarHBondContact O-N 3.41Å; F989-M992 WeakPolarHBondContact O-CB 3.05Å; F989-M992 PolarHBondContact O-N 2.78Å; F989-I993 HydrophobicContact CD1-CD1 3.98Å; F989-I993 HydrophobicContact CE1-CD1 3.44Å; F989-I993 VanDerWaalsContact CE1-CD1 3.44Å; F989-I993 HydrophobicContact CE1-CG1 4.39Å; F989-I993 HydrophobicContact CE2-CD1 4.46Å; F989-I993 HydrophobicContact CZ-CD1 3.72Å; F989-I993 HydrophobicContact CZ-CG1 4.38Å; F989-I993 PolarHBondContact O-N 3.42Å |
| 990 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 177.1 | -58.5 | -178.4 | 0 | 0 | 0 | 112.6 | I567 Y918 V934 L937 L938 T986 M992 I993 S994 | I567-L990 HydrophobicContact CD1-CD1 4.23Å; I567-L990 HydrophobicContact CG2-CB 4.2Å; Y918-L990 HydrophobicContact CD1-CD2 4.34Å; Y918-L990 HydrophobicContact CD2-CD2 4.32Å; Y918-L990 HydrophobicContact CG-CD2 4.08Å; V934-L990 HydrophobicContact CG1-CB 4.05Å; V934-L990 HydrophobicContact CG1-CD1 4.33Å; L937-L990 HydrophobicContact CD2-CD2 3.74Å; L938-L990 HydrophobicContact CD1-CD1 3.53Å; L938-L990 HydrophobicContact CG-CD1 3.98Å; T986-L990 VanDerWaalsContact O-CB 3.28Å; T986-L990 WeakPolarHBondContact O-CB 3.31Å; T986-L990 WeakPolarHBondContact O-CD1 3.34Å; T986-L990 WeakPolarHBondContact O-CG 3.37Å; L990-M992 VanDerWaalsContact C-N 3.34Å; L990-I993 HydrophobicContact CD2-CD1 4.49Å; L990-I993 PolarHBondContact O-N 2.89Å; L990-S994 PolarHBondContact O-N 3.42Å |
| 991 | S | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 173 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | F987 L988 F989 I993 S994 I995 | F987-S991 WeakPolarHBondContact O-CB 3.11Å; F987-S991 PolarHBondContact O-OG 3.44Å; L988-S991 PolarHBondContact O-N 3.43Å; F989-S991 VanDerWaalsContact C-N 3.33Å; F989-S991 PolarHBondContact O-N 3.41Å; S991-I993 PolarHBondContact O-N 2.95Å; S991-S994 WeakPolarHBondContact O-CB 3.36Å; S991-S994 PolarHBondContact O-N 3.39Å; S991-I995 VanDerWaalsContact O-CG1 3.27Å; S991-I995 WeakPolarHBondContact O-CG1 3.23Å; S991-I995 PolarHBondContact O-N 3.11Å |
| 992 | M | 93.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 175.8 | -69.8 | 173 | 65.4 | 0 | 0 | 112.2 | F575 M873 V876 T877 L988 F989 L990 I995 A996 | F575-M992 HydrophobicContact CD2-CG 3.54Å; F575-M992 HydrophobicContact CD2-SD 4.21Å; F575-M992 HydrophobicContact CE2-CE 4.47Å; F575-M992 HydrophobicContact CE2-CG 3.65Å; F575-M992 HydrophobicContact CE2-SD 3.94Å; M873-M992 HydrophobicContact CB-CE 3.79Å; M873-M992 HydrophobicContact CE-CE 4.24Å; M873-M992 HydrophobicContact CG-CB 4.37Å; M873-M992 HydrophobicContact CG-CE 3.86Å; M873-M992 HydrophobicContact SD-CE 3.15Å; M873-M992 WeakPolarHBondContact SD-CE 3.2Å; V876-M992 HydrophobicContact CB-CE 4.32Å; V876-M992 HydrophobicContact CG1-CE 4.31Å; T877-M992 HydrophobicContact CG2-SD 3.77Å; L988-M992 HydrophobicContact CD1-SD 4.13Å; L988-M992 HydrophobicContact CG-SD 4.03Å; L988-M992 WeakPolarHBondContact O-CG 3.28Å; L988-M992 PolarHBondContact O-N 3.38Å; F989-M992 WeakPolarHBondContact O-CB 3.05Å; F989-M992 PolarHBondContact O-N 2.78Å; L990-M992 VanDerWaalsContact C-N 3.34Å; M992-I995 PolarHBondContact O-N 2.7Å; M992-A996 VanDerWaalsContact O-CB 3.25Å; M992-A996 WeakPolarHBondContact O-CB 3.26Å; M992-A996 PolarHBondContact O-N 2.89Å |
| 993 | I | 92.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 172.6 | -67.2 | 175.5 | 0 | 0 | 0 | 111.1 | Y922 P933 V934 L937 F989 L990 S991 I995 A996 T997 | Y922-I993 HydrophobicContact CD2-CG2 4.33Å; Y922-I993 HydrophobicContact CE2-CG2 3.99Å; P933-I993 HydrophobicContact CG-CG2 4.05Å; V934-I993 HydrophobicContact CG2-CG2 4.4Å; L937-I993 HydrophobicContact CD2-CD1 4.35Å; F989-I993 HydrophobicContact CD1-CD1 3.98Å; F989-I993 HydrophobicContact CE1-CD1 3.44Å; F989-I993 VanDerWaalsContact CE1-CD1 3.44Å; F989-I993 HydrophobicContact CE1-CG1 4.39Å; F989-I993 HydrophobicContact CE2-CD1 4.46Å; F989-I993 HydrophobicContact CZ-CD1 3.72Å; F989-I993 HydrophobicContact CZ-CG1 4.38Å; F989-I993 PolarHBondContact O-N 3.42Å; L990-I993 HydrophobicContact CD2-CD1 4.49Å; L990-I993 PolarHBondContact O-N 2.89Å; S991-I993 PolarHBondContact O-N 2.95Å; I993-I995 PolarHBondContact O-N 3.16Å; I993-A996 PolarHBondContact O-N 2.92Å; I993-T997 HydrophobicContact CG2-CG2 4.37Å; I993-T997 WeakPolarHBondContact O-CB 3.31Å; I993-T997 VanDerWaalsContact O-CG2 3.26Å; I993-T997 WeakPolarHBondContact O-CG2 3.44Å; I993-T997 PolarHBondContact O-N 2.88Å; I993-T997 PolarHBondContact O-OG1 3.06Å |
| 994 | S | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | D571 L990 S991 T997 K998 | D571-S994 WeakPolarHBondContact OD2-CB 3.37Å; D571-S994 PolarHBondContact OD2-OG 3.26Å; L990-S994 PolarHBondContact O-N 3.42Å; S991-S994 WeakPolarHBondContact O-CB 3.36Å; S991-S994 PolarHBondContact O-N 3.39Å; S994-T997 WeakPolarHBondContact CA-OG1 3.14Å; S994-T997 PolarHBondContact O-N 3.14Å; S994-T997 PolarHBondContact O-OG1 2.95Å; S994-K998 WeakPolarHBondContact O-CG 3.04Å; S994-K998 PolarHBondContact O-N 3.04Å |
| 995 | I | 91 | Very high | 86.4 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.195 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 179.6 | -66.1 | 164.1 | 0 | 0 | 0 | 110.7 | D571 F575 S991 M992 I993 T997 K998 L999 | D571-I995 HydrophobicContact CB-CG1 4.16Å; F575-I995 HydrophobicContact CB-CD1 3.75Å; F575-I995 HydrophobicContact CD1-CD1 4.33Å; F575-I995 HydrophobicContact CD2-CD1 4.44Å; F575-I995 HydrophobicContact CG-CD1 3.92Å; S991-I995 VanDerWaalsContact O-CG1 3.27Å; S991-I995 WeakPolarHBondContact O-CG1 3.23Å; S991-I995 PolarHBondContact O-N 3.11Å; M992-I995 PolarHBondContact O-N 2.7Å; I993-I995 PolarHBondContact O-N 3.16Å; I995-T997 VanDerWaalsContact C-N 3.29Å; I995-T997 PolarHBondContact O-N 3.26Å; I995-K998 PolarHBondContact O-N 3.29Å; I995-L999 HydrophobicContact CG2-CD1 3.93Å; I995-L999 HydrophobicContact CG2-CG 4.34Å; I995-L999 WeakPolarHBondContact O-CB 3.08Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 3.2Å |
| 996 | A | 89.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L869 M873 M992 I993 L999 R1000 | L869-A996 HydrophobicContact CD2-CB 4.47Å; M873-A996 HydrophobicContact CE-CB 4.25Å; M992-A996 VanDerWaalsContact O-CB 3.25Å; M992-A996 WeakPolarHBondContact O-CB 3.26Å; M992-A996 PolarHBondContact O-N 2.89Å; I993-A996 PolarHBondContact O-N 2.92Å; A996-L999 PolarHBondContact O-N 3.3Å; A996-R1000 WeakPolarHBondContact O-CB 3.38Å; A996-R1000 PolarHBondContact O-N 3.24Å |
| 997 | T | 87 | Confident | 81.9 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | P933 I993 S994 I995 L999 R1000 Q1001 | P933-T997 HydrophobicContact CG-CG2 3.81Å; I993-T997 HydrophobicContact CG2-CG2 4.37Å; I993-T997 WeakPolarHBondContact O-CB 3.31Å; I993-T997 VanDerWaalsContact O-CG2 3.26Å; I993-T997 WeakPolarHBondContact O-CG2 3.44Å; I993-T997 PolarHBondContact O-N 2.88Å; I993-T997 PolarHBondContact O-OG1 3.06Å; S994-T997 WeakPolarHBondContact CA-OG1 3.14Å; S994-T997 PolarHBondContact O-N 3.14Å; S994-T997 PolarHBondContact O-OG1 2.95Å; I995-T997 VanDerWaalsContact C-N 3.29Å; I995-T997 PolarHBondContact O-N 3.26Å; T997-L999 VanDerWaalsContact C-N 3.35Å; T997-L999 PolarHBondContact O-N 3.5Å; T997-R1000 PolarHBondContact O-N 3.43Å; T997-Q1001 PolarHBondContact O-N 3.12Å |
| 998 | K | 86.5 | Confident | 79.6 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 171.8 | -72.5 | 174.8 | -176.8 | 175.9 | 0 | 112.3 | T568 D571 S994 I995 Q1001 K1002 | T568-K998 PolarHBondContact O-NZ 2.81Å; D571-K998 VanDerWaalsContact CG-NZ 3.29Å; D571-K998 IonicContact OD1-NZ 3.28Å; D571-K998 PolarHBondContact OD1-NZ 2.81Å; D571-K998 VanDerWaalsContact OD2-CE 3.31Å; D571-K998 WeakPolarHBondContact OD2-CE 2.99Å; D571-K998 IonicContact OD2-NZ 2.67Å; D571-K998 PolarHBondContact OD2-NZ 3.31Å; S994-K998 WeakPolarHBondContact O-CG 3.04Å; S994-K998 PolarHBondContact O-N 3.04Å; I995-K998 PolarHBondContact O-N 3.29Å; K998-Q1001 PolarHBondContact O-N 2.97Å; K998-K1002 PolarHBondContact O-N 3.43Å |
| 999 | L | 85.9 | Confident | 77.1 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 59% | 0.586 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 176.4 | -73.3 | 172.1 | 0 | 0 | 0 | 111.8 | I995 A996 T997 Q1001 K1002 S1003 | I995-L999 HydrophobicContact CG2-CD1 3.93Å; I995-L999 HydrophobicContact CG2-CG 4.34Å; I995-L999 WeakPolarHBondContact O-CB 3.08Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 3.2Å; A996-L999 PolarHBondContact O-N 3.3Å; T997-L999 VanDerWaalsContact C-N 3.35Å; T997-L999 PolarHBondContact O-N 3.5Å; L999-Q1001 PolarHBondContact O-N 3.08Å; L999-K1002 PolarHBondContact O-N 2.98Å; L999-S1003 PolarHBondContact O-N 3.5Å |
| 1000 | R | 82.7 | Confident | 74.4 | Confident | 144 Ų | 144 | 64.1 Ų | 64.1 | 54% | 0.543 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 176.5 | -170 | 178.2 | -177.6 | 174.5 | 1.7 | 112.2 | A996 T997 S1003 N1004 | A996-R1000 WeakPolarHBondContact O-CB 3.38Å; A996-R1000 PolarHBondContact O-N 3.24Å; T997-R1000 PolarHBondContact O-N 3.43Å; R1000-S1003 WeakPolarHBondContact O-CB 2.91Å; R1000-S1003 PolarHBondContact O-N 3.22Å; R1000-N1004 PolarHBondContact O-N 2.8Å |
| 1001 | Q | 80.5 | Confident | 71.8 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.8 | -79.5 | 173.3 | -12.7 | 0 | 0 | 112.4 | N931 T997 K998 L999 S1003 N1004 C1005 | N931-Q1001 PolarHBondContact O-NE2 3.44Å; N931-Q1001 VanDerWaalsContact O-NE2 3.11Å; N931-Q1001 PolarHBondContact OD1-NE2 3.18Å; T997-Q1001 PolarHBondContact O-N 3.12Å; K998-Q1001 PolarHBondContact O-N 2.97Å; L999-Q1001 PolarHBondContact O-N 3.08Å; Q1001-S1003 VanDerWaalsContact C-N 3.34Å; Q1001-S1003 PolarHBondContact O-N 3.15Å; Q1001-N1004 PolarHBondContact O-N 3.36Å; Q1001-C1005 PolarHBondContact O-N 2.71Å; Q1001-C1005 PolarHBondContact O-SG 2.94Å; Q1001-C1005 VanDerWaalsContact O-SG 3.33Å |
| 1002 | K | 78.3 | Confident | 68.9 | Low | 156 Ų | 156 | 76.7 Ų | 76.7 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 179.4 | -163.2 | 175 | -177.5 | -178.9 | 0 | 111.8 | K998 L999 C1005 C1006 | K998-K1002 PolarHBondContact O-N 3.43Å; L999-K1002 PolarHBondContact O-N 2.98Å; K1002-C1005 PolarHBondContact O-N 3.48Å; K1002-C1006 PolarHBondContact O-N 2.04Å; K1002-C1006 VanDerWaalsContact O-N 3.09Å; K1002-C1006 PolarHBondContact O-SG 3.27Å |
| 1003 | S | 73.3 | Confident | 65.9 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 171.4 | 154.2 | 0 | 0 | 0 | 0 | 112.1 | L999 R1000 Q1001 C1005 C1006 C1007 | L999-S1003 PolarHBondContact O-N 3.5Å; R1000-S1003 WeakPolarHBondContact O-CB 2.91Å; R1000-S1003 PolarHBondContact O-N 3.22Å; Q1001-S1003 VanDerWaalsContact C-N 3.34Å; Q1001-S1003 PolarHBondContact O-N 3.15Å; S1003-C1005 PolarHBondContact O-N 3.44Å; S1003-C1006 PolarHBondContact O-N 3.1Å; S1003-C1007 PolarHBondContact O-N 2.86Å; S1003-C1007 VanDerWaalsContact O-N 3.14Å; S1003-C1007 PolarHBondContact O-SG 3.23Å |
| 1004 | N | 65.5 | Low | 63 | Low | 93 Ų | 93 | 92.5 Ų | 92.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | -179.6 | -73.9 | 1.7 | 0 | 0 | 0 | 112.3 | R1000 Q1001 C1006 C1007 S1008 | R1000-N1004 PolarHBondContact O-N 2.8Å; Q1001-N1004 PolarHBondContact O-N 3.36Å; N1004-C1006 VanDerWaalsContact C-N 3.33Å; N1004-C1006 PolarHBondContact O-N 3.11Å; N1004-C1007 PolarHBondContact O-N 3.37Å; N1004-S1008 PolarHBondContact O-N 3.15Å; N1004-S1008 PolarHBondContact O-OG 2.86Å |
| 1005 | C | 57.5 | Low | 60.1 | Low | 92 Ų | 92 | 101.8 Ų | 101.8 | 62% | 0.622 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.8 | -32.2 | 175.1 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | Q1001 K1002 S1003 | Q1001-C1005 PolarHBondContact O-N 2.71Å; Q1001-C1005 PolarHBondContact O-SG 2.94Å; Q1001-C1005 VanDerWaalsContact O-SG 3.33Å; K1002-C1005 PolarHBondContact O-N 3.48Å; S1003-C1005 PolarHBondContact O-N 3.44Å |
| 1006 | C | 48.5 | Very low | 57.6 | Low | 77 Ų | 77 | 105.3 Ų | 105.3 | 52% | 0.52 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.3 | -33.2 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | K1002 S1003 N1004 S1009 A1010 | K1002-C1006 PolarHBondContact O-N 2.04Å; K1002-C1006 VanDerWaalsContact O-N 3.09Å; K1002-C1006 PolarHBondContact O-SG 3.27Å; S1003-C1006 PolarHBondContact O-N 3.1Å; N1004-C1006 VanDerWaalsContact C-N 3.33Å; N1004-C1006 PolarHBondContact O-N 3.11Å; C1006-S1009 PolarHBondContact O-N 2.93Å; C1006-A1010 WeakPolarHBondContact O-CB 3.4Å; C1006-A1010 PolarHBondContact O-N 3.03Å |
| 1007 | C | 45.2 | Very low | 54.9 | Low | 85 Ų | 85 | 112.2 Ų | 112.2 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | 176.6 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | S1003 N1004 S1009 A1010 | S1003-C1007 PolarHBondContact O-N 2.86Å; S1003-C1007 VanDerWaalsContact O-N 3.14Å; S1003-C1007 PolarHBondContact O-SG 3.23Å; N1004-C1007 PolarHBondContact O-N 3.37Å; C1007-S1009 PolarHBondContact O-N 3.37Å; C1007-A1010 PolarHBondContact O-N 3.42Å |
| 1008 | S | 45.5 | Very low | 52.2 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -17.1 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 114 | N1004 | N1004-S1008 PolarHBondContact O-N 3.15Å; N1004-S1008 PolarHBondContact O-OG 2.86Å |
| 1009 | S | 42.4 | Very low | 49.6 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.8 | 176.9 | -177 | 0 | 0 | 0 | 0 | 113.2 | C1006 C1007 | C1006-S1009 PolarHBondContact O-N 2.93Å; C1007-S1009 PolarHBondContact O-N 3.37Å |
| 1010 | A | 38.4 | Very low | 47 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 50% | 0.504 | 68% | 0.684 | S | S | . | * | trans | -127 | 41.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1006 C1007 G1012 | C1006-A1010 WeakPolarHBondContact O-CB 3.4Å; C1006-A1010 PolarHBondContact O-N 3.03Å; C1007-A1010 PolarHBondContact O-N 3.42Å; A1010-G1012 PolarHBondContact O-N 2.83Å | ||
| 1011 | E | 39.4 | Very low | 44.6 | Very low | 203 Ų | 203 | 122.4 Ų | 122.4 | 95% | 0.949 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 44.4 | 159.1 | -76.6 | -169 | 151.7 | 0 | 0 | 111.9 | ||
| 1012 | G | 32.7 | Very low | 42.1 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.5 | 36.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1010 | A1010-G1012 PolarHBondContact O-N 2.83Š|
| 1013 | L | 29 | Very low | 39.9 | Very low | 159 Ų | 159 | 122 Ų | 122 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -177.7 | 120 | 145.8 | -126.3 | 72.7 | 0 | 0 | 0 | 110.5 | ||||
| 1014 | Q | 33.5 | Very low | 38 | Very low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 129.6 | 171.3 | -78 | 174.3 | -29.9 | 0 | 0 | 111.2 | ||||
| 1015 | F | 30.8 | Very low | 36.5 | Very low | 196 Ų | 196 | 129.2 Ų | 129.2 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -148.9 | 138.5 | 143 | -97.8 | -78.3 | 0 | 0 | 0 | 109.8 | ||||
| 1016 | P | 36.6 | Very low | 35.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -94.2 | 129.4 | -171.8 | 34.8 | -27.5 | 0 | 0 | 0 | 111.2 | ||||
| 1017 | I | 34.9 | Very low | 34.6 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -128.8 | 120.8 | 159.7 | -62.1 | 179.2 | 0 | 0 | 0 | 108.2 | L1019 | I1017-L1019 PolarHBondContact O-N 2.92Š| ||
| 1018 | L | 29.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -54 | 125.5 | -179.9 | -94.1 | 78.5 | 0 | 0 | 0 | 112.8 | ||||
| 1019 | L | 31.2 | Very low | 33.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -137.5 | 131.6 | 143 | -92.6 | 165.4 | 0 | 0 | 0 | 107.6 | I1017 V1021 | I1017-L1019 PolarHBondContact O-N 2.92Å; L1019-V1021 PolarHBondContact O-N 3.45Å | ||
| 1020 | P | 31.2 | Very low | 33 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 112.7 | -177 | 30.8 | -29.8 | 0 | 0 | 0 | 109.4 | T1022 | P1020-T1022 PolarHBondContact O-N 2.77Š| ||
| 1021 | V | 32.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -81 | 107.7 | 164.6 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | L1019 | L1019-V1021 PolarHBondContact O-N 3.45Š| ||
| 1022 | T | 29.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -103.1 | 102.1 | 162.9 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | P1020 | P1020-T1022 PolarHBondContact O-N 2.77Š| ||
| 1023 | A | 30.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 149.4 Ų | 149.4 | 65% | 0.645 | 83% | 0.827 | S | S | * | * | trans | -158.7 | 119.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1024 | P | 34.8 | Very low | 33.2 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -91.9 | 116.1 | 153.6 | 30.4 | -19.4 | 0 | 0 | 0 | 108 | E1026 | P1024-E1026 PolarHBondContact O-N 2.8Š| ||
| 1025 | H | 34 | Very low | 33.2 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -71.7 | 112.7 | 157 | -113.1 | -72.5 | 0 | 0 | 0 | 107.1 | Q1027 | H1025-Q1027 PolarHBondContact O-N 3.24Š| ||
| 1026 | E | 32 | Very low | 33.4 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -71.3 | 110 | 160.9 | -78.7 | 179.9 | 151.8 | 0 | 0 | 108.3 | P1024 | P1024-E1026 PolarHBondContact O-N 2.8Š| ||
| 1027 | Q | 34.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -101 | 133.2 | 151.3 | -82 | -173.9 | -26.5 | 0 | 0 | 107.6 | H1025 L1029 | H1025-Q1027 PolarHBondContact O-N 3.24Å; Q1027-L1029 PolarHBondContact O-N 2.78Å | ||
| 1028 | P | 35.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 113 | 174.7 | 30.1 | -29.3 | 0 | 0 | 0 | 109.6 | ||||
| 1029 | L | 33.1 | Very low | 33.7 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | trans | -83.4 | 130.2 | 168.9 | -147.5 | 92.2 | 0 | 0 | 0 | 109.6 | Q1027 | Q1027-L1029 PolarHBondContact O-N 2.78Š| ||
| 1030 | G | 30.9 | Very low | 33.7 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | trans | 94.3 | 91.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1031 | K | 31.7 | Very low | 34 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | trans | -145.8 | 86.3 | 132.2 | -82.2 | -166.8 | -179 | 175.3 | 0 | 109.3 | ||||
| 1032 | S | 33.2 | Very low | 34.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -132.3 | 118.3 | 155.6 | 52.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1033 | T | 39.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 157.8 | 177.3 | 40.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1034 | P | 38.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 153.1 | -161.8 | 33.2 | -34.3 | 0 | 0 | 0 | 113.5 | S1036 | P1034-S1036 PolarHBondContact O-N 2.92Š|
| 1035 | E | 32.9 | Very low | 34.8 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 128.1 | 167.9 | -70.9 | 172.7 | 146.1 | 0 | 0 | 111.3 | ||
| 1036 | S | 34.5 | Very low | 34.9 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 118.7 | 159.2 | 42.5 | 0 | 0 | 0 | 0 | 107.9 | P1034 | P1034-S1036 PolarHBondContact O-N 2.92Š|
| 1037 | I | 35.8 | Very low | 35 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 82% | 0.815 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128.3 | 168.2 | -64.4 | 161.7 | 0 | 0 | 0 | 107.5 | ||
| 1038 | P | 36.1 | Very low | 35 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 118.9 | 169 | 32.4 | -25.9 | 0 | 0 | 0 | 109.6 | L1040 | P1038-L1040 PolarHBondContact O-N 3.5Š|
| 1039 | S | 36 | Very low | 35 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.5 | 162.9 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1040 | L | 32.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -1.1 | 116.5 | 151.1 | -127 | 84.4 | 0 | 0 | 0 | 116.8 | P1038 | P1038-L1040 PolarHBondContact O-N 3.5Š| ||
| 1041 | S | 36.9 | Very low | 35.5 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | trans | -145 | 119.4 | 145 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1042 | L | 33.3 | Very low | 35.7 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 84% | 0.841 | S | S | * | * | trans | -29.6 | 146.6 | 162.9 | -110 | 82.5 | 0 | 0 | 0 | 117.1 | ||||
| 1043 | V | 38.5 | Very low | 36 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 84% | 0.843 | S | S | * | * | trans | 69.5 | 115.2 | 159.3 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1044 | E | 37.6 | Very low | 35.6 | Very low | 258 Ų | 258 | 148.2 Ų | 148.2 | 100% | 1.206 | 84% | 0.843 | S | S | * | * | -168.9 | 0 | 57.5 | -147.4 | 166 | -162.2 | 0 | 0 | 109.3 |
Retrieved 1,044 of 1,044 residues in 424.8 ms
(Link to these results)