| 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 | 44.8 | Very low | 82.8 | Confident | 237 Ų | 237 | 62.7 Ų | 62.7 | 100% | 1.167 | 34% | 0.339 | S | S | * | . | 0 | 116.7 | 0 | -74.9 | 171.8 | 165 | 0 | 0 | 106.6 | S3 | M1-S3 PolarHBondContact O-N 2.89Š| |||
| 2 | N | 53.5 | Low | 82.5 | Confident | 173 Ų | 173 | 63.4 Ų | 63.4 | 93% | 0.925 | 35% | 0.352 | S | S | * | . | trans | -61.3 | 110.3 | 174.8 | -100.2 | -3.7 | 0 | 0 | 0 | 107.5 | S4 | N2-S4 PolarHBondContact O-N 3.43Š| ||
| 3 | S | 65.4 | Low | 82.3 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | trans | -61.7 | 108.9 | 172 | 53.1 | 0 | 0 | 0 | 0 | 107.4 | M1 V5 | M1-S3 PolarHBondContact O-N 2.89Å; S3-V5 PolarHBondContact O-N 3.1Å | ||
| 4 | S | 86.4 | Confident | 81.8 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 124.1 | 175.7 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | N2 M48 T49 | N2-S4 PolarHBondContact O-N 3.43Å; S4-M48 WeakPolarHBondContact OG-CG 3.37Å; S4-M48 PolarHBondContact OG-SD 3.13Å; S4-T49 PolarHBondContact O-N 3.37Å |
| 5 | V | 92.3 | Very high | 81.7 | Confident | 84 Ų | 84 | 59 Ų | 59 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.6 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 108 | S3 T49 | S3-V5 PolarHBondContact O-N 3.1Å; V5-T49 CarbonylContact C-O 3.53Å; V5-T49 WeakPolarHBondContact CA-O 3.31Å; V5-T49 WeakPolarHBondContact CG2-OG1 3.48Å |
| 6 | I | 94.1 | Very high | 82 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.7 | 171.7 | -61.2 | 171.1 | 0 | 0 | 0 | 108.8 | V8 M48 T49 S51 D83 V84 M331 | I6-V8 HydrophobicContact CG2-CG2 3.88Å; I6-V8 PolarHBondContact O-N 3.17Å; I6-M48 HydrophobicContact CD1-CB 4.19Å; I6-M48 HydrophobicContact CD1-CE 3.87Å; I6-M48 HydrophobicContact CD1-CG 4.42Å; I6-M48 HydrophobicContact CD1-SD 3.31Å; I6-M48 WeakPolarHBondContact CD1-SD 3.46Å; I6-M48 HydrophobicContact CG1-SD 3.79Å; I6-T49 PolarHBondContact N-O 2.95Å; I6-S51 PolarHBondContact O-N 3.17Å; I6-D83 HydrophobicContact CG2-CB 4.18Å; I6-V84 HydrophobicContact CG2-CB 4.3Å; I6-V84 HydrophobicContact CG2-CG2 3.86Å; I6-M331 HydrophobicContact CD1-CE 4.32Å; I6-M331 HydrophobicContact CG1-CE 3.79Å |
| 7 | R | 95.5 | Very high | 82.3 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113.7 | 171.5 | -59.3 | 171.6 | -65 | 159.7 | 3.6 | 109.8 | S51 V53 N80 E81 D83 V84 | R7-S51 CarbonylContact C-O 3.45Å; R7-S51 WeakPolarHBondContact CA-O 3.45Å; R7-V53 HydrophobicContact CB-CG2 4.33Å; R7-N80 PolarHBondContact NH1-O 3Å; R7-N80 PolarHBondContact NH2-O 3.03Å; R7-N80 PolarHBondContact NH2-OD1 2.81Å; R7-E81 PolarHBondContact NH1-O 3.16Å; R7-D83 WeakPolarHBondContact CB-OD2 3.49Å; R7-D83 WeakPolarHBondContact CG-OD2 3.48Å; R7-D83 IonicContact CZ-OD1 3.61Å; R7-D83 IonicContact CZ-OD2 2.97Å; R7-D83 PolarHBondContact N-OD2 2.94Å; R7-D83 IonicContact NE-OD1 3.6Å; R7-D83 IonicContact NE-OD2 3.49Å; R7-D83 PolarHBondContact NE-OD2 2.78Å; R7-D83 IonicContact NH2-OD1 2.78Å; R7-D83 PolarHBondContact NH2-OD1 2.83Å; R7-D83 IonicContact NH2-OD2 3.53Å; R7-D83 PolarHBondContact O-N 3.36Å; R7-V84 PolarHBondContact O-N 3.34Å |
| 8 | V | 96.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.7 | -175.8 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | I6 V10 L39 I50 S51 F52 V53 V84 | I6-V8 HydrophobicContact CG2-CG2 3.88Å; I6-V8 PolarHBondContact O-N 3.17Å; V8-V10 HydrophobicContact CG1-CG2 4.31Å; V8-L39 HydrophobicContact CB-CD2 4.39Å; V8-L39 HydrophobicContact CG1-CD2 3.58Å; V8-L39 HydrophobicContact CG2-CD2 3.81Å; V8-I50 HydrophobicContact CB-CG2 3.75Å; V8-I50 HydrophobicContact CG2-CB 4.47Å; V8-I50 HydrophobicContact CG2-CG1 4.37Å; V8-I50 HydrophobicContact CG2-CG2 3.49Å; V8-I50 VanDerWaalsContact CG2-CG2 3.49Å; V8-S51 PolarHBondContact N-O 3.08Å; V8-F52 HydrophobicContact CB-CD1 4.06Å; V8-F52 HydrophobicContact CB-CE1 4.2Å; V8-F52 HydrophobicContact CG1-CD1 4.03Å; V8-F52 HydrophobicContact CG1-CE1 3.98Å; V8-F52 WeakPolarHBondContact O-CA 3.44Å; V8-V53 PolarHBondContact O-N 3.37Å; V8-V84 WeakPolarHBondContact CA-O 2.96Å |
| 9 | G | 96.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V53 L73 V84 G86 | G9-V53 CarbonylContact C-O 3.57Å; G9-V53 VanDerWaalsContact CA-O 3.28Å; G9-V53 WeakPolarHBondContact CA-O 3.3Å; G9-L73 VanDerWaalsContact C-CD2 3.43Å; G9-L73 WeakPolarHBondContact O-CD2 3.28Å; G9-V84 PolarHBondContact N-O 3.43Å; G9-G86 WeakPolarHBondContact O-CA 3.35Å; G9-G86 PolarHBondContact O-N 2.74Å |
| 10 | V | 95.1 | Very high | 82.6 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.6 | 180 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | V8 M16 P18 L36 F52 V53 H54 S55 N87 | V8-V10 HydrophobicContact CG1-CG2 4.31Å; V10-M16 HydrophobicContact CG1-CB 4.38Å; V10-M16 HydrophobicContact CG1-CE 3.75Å; V10-M16 HydrophobicContact CG1-SD 4.29Å; V10-M16 HydrophobicContact CG2-CE 4.32Å; V10-P18 HydrophobicContact CG1-CG 4.08Å; V10-P18 HydrophobicContact CG2-CB 4.46Å; V10-L36 HydrophobicContact CG2-CD1 4.5Å; V10-L36 HydrophobicContact CG2-CD2 4.08Å; V10-F52 HydrophobicContact CG2-CD1 3.6Å; V10-F52 HydrophobicContact CG2-CE1 4.22Å; V10-F52 HydrophobicContact CG2-CG 4.49Å; V10-V53 PolarHBondContact N-O 2.73Å; V10-H54 WeakPolarHBondContact O-CA 3.43Å; V10-S55 PolarHBondContact O-N 3.2Å; V10-N87 WeakPolarHBondContact CA-OD1 3.47Å |
| 11 | S | 91.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -89.4 | 136.3 | 167.2 | 155.5 | 0 | 0 | 0 | 0 | 108.9 | W13 K58 G59 N87 | S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 PolarHBondContact OG-NE1 3Å; S11-K58 WeakPolarHBondContact OG-CA 3.36Å; S11-G59 WeakPolarHBondContact CB-O 3.3Å; S11-G59 PolarHBondContact OG-N 2.99Å; S11-N87 PolarHBondContact N-OD1 3.44Å; S11-N87 PolarHBondContact O-ND2 3Å | ||
| 12 | S | 79.6 | Confident | 83.6 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | trans | -66.4 | 93.7 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | W | 79.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | trans | -108.4 | 149.7 | 167.8 | -67.9 | -4.1 | 0 | 0 | 0 | 109.3 | S11 Q15 M16 N87 I88 | S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 PolarHBondContact OG-NE1 3Å; W13-Q15 PolarHBondContact O-N 3.44Å; W13-M16 HydrophobicContact CB-CG 4.44Å; W13-M16 HydrophobicContact CE3-SD 4.36Å; W13-M16 PolarHBondContact O-N 3.05Å; W13-N87 HydrophobicContact CE3-CB 4.45Å; W13-N87 VanDerWaalsContact CE3-ND2 3.31Å; W13-N87 HydrophobicContact CH2-CB 4.1Å; W13-N87 HydrophobicContact CZ2-CB 4.47Å; W13-N87 HydrophobicContact CZ3-CB 4.08Å; W13-I88 WeakPolarHBondContact CH2-O 3.33Å | ||
| 14 | D | 75.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 47 Ų | 47 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -5.9 | -178 | -62.4 | -52.5 | 0 | 0 | 0 | 114.7 | P274 K302 | D14-P274 HydrophobicContact CB-CG 3.82Å; D14-P274 VanDerWaalsContact CG-CD 3.49Å; D14-P274 WeakPolarHBondContact OD2-CD 3.48Å; D14-P274 WeakPolarHBondContact OD2-CG 3.29Å; D14-K302 PolarHBondContact O-NZ 2.81Å |
| 15 | Q | 80 | Confident | 82 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -7.7 | 178.9 | -36 | -160.4 | -2.2 | 0 | 0 | 112.8 | W13 G33 F298 | W13-Q15 PolarHBondContact O-N 3.44Å; Q15-G33 WeakPolarHBondContact O-CA 3.48Å; Q15-F298 HydrophobicContact CB-CD1 4.31Å; Q15-F298 HydrophobicContact CB-CE1 3.77Å; Q15-F298 HydrophobicContact CB-CE2 4.15Å; Q15-F298 HydrophobicContact CB-CZ 3.65Å; Q15-F298 VanDerWaalsContact CD-CG 3.45Å; Q15-F298 HydrophobicContact CG-CD1 3.53Å; Q15-F298 HydrophobicContact CG-CD2 4.46Å; Q15-F298 HydrophobicContact CG-CE1 3.39Å; Q15-F298 HydrophobicContact CG-CE2 4.35Å; Q15-F298 HydrophobicContact CG-CG 4.06Å; Q15-F298 HydrophobicContact CG-CZ 3.81Å |
| 16 | M | 85.7 | Confident | 80.2 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 5% | 0.054 | 28% | 0.282 | C | S | . | . | trans | -116.3 | 121.7 | -171.7 | -67.5 | -172.6 | 79.7 | 0 | 0 | 111.3 | V10 W13 E35 L36 G86 N87 | V10-M16 HydrophobicContact CG1-CB 4.38Å; V10-M16 HydrophobicContact CG1-CE 3.75Å; V10-M16 HydrophobicContact CG1-SD 4.29Å; V10-M16 HydrophobicContact CG2-CE 4.32Å; W13-M16 HydrophobicContact CB-CG 4.44Å; W13-M16 HydrophobicContact CE3-SD 4.36Å; W13-M16 PolarHBondContact O-N 3.05Å; M16-E35 HydrophobicContact CE-CB 4.48Å; M16-L36 HydrophobicContact CE-CD1 3.96Å; M16-L36 HydrophobicContact CE-CD2 3.41Å; M16-L36 VanDerWaalsContact CE-CD2 3.41Å; M16-L36 HydrophobicContact CE-CG 3.48Å; M16-L36 VanDerWaalsContact CE-CG 3.48Å; M16-G86 VanDerWaalsContact CE-C 3.48Å; M16-G86 WeakPolarHBondContact CE-O 3.28Å; M16-N87 HydrophobicContact CE-CB 4.38Å; M16-N87 HydrophobicContact SD-CB 4Å; M16-N87 PolarHBondContact SD-ND2 3.36Å; M16-N87 PolarHBondContact SD-OD1 2.93Å; M16-N87 VanDerWaalsContact SD-OD1 3.37Å | ||
| 17 | H | 87 | Confident | 78.2 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | trans | -128.2 | 72.4 | -177.8 | -63.7 | -71.3 | 0 | 0 | 0 | 109.4 | E19 C20 P32 | H17-E19 VanDerWaalsContact CA-OE2 3.29Å; H17-E19 WeakPolarHBondContact CA-OE2 3.39Å; H17-E19 WeakPolarHBondContact CB-OE1 3.46Å; H17-E19 IonicContact CG-OE1 2.76Å; H17-E19 IonicContact ND1-OE1 3.56Å; H17-E19 PolarHBondContact ND1-OE1 3.02Å; H17-E19 PolarHBondContact O-N 3.44Å; H17-E19 VanDerWaalsContact O-N 3.13Å; H17-C20 HydrophobicContact CB-CB 4.26Å; H17-C20 WeakPolarHBondContact CB-SG 3.35Å; H17-C20 VanDerWaalsContact O-CB 3.31Å; H17-C20 WeakPolarHBondContact O-CB 3.34Å; H17-C20 PolarHBondContact O-N 3.36Å; H17-P32 PolarHBondContact N-O 3.22Å; H17-P32 VanDerWaalsContact O-CA 3.29Å; H17-P32 WeakPolarHBondContact O-CA 3.3Å | ||
| 18 | P | 83.9 | Confident | 76.4 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.065 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -54.7 | -29.2 | 179.2 | 24.1 | -35.3 | 0 | 0 | 0 | 112.9 | V10 C20 V21 L36 F52 H54 | V10-P18 HydrophobicContact CG1-CG 4.08Å; V10-P18 HydrophobicContact CG2-CB 4.46Å; P18-C20 PolarHBondContact O-N 3.34Å; P18-C20 VanDerWaalsContact O-N 3.14Å; P18-V21 WeakPolarHBondContact O-CB 3.36Å; P18-V21 WeakPolarHBondContact O-CG2 3.28Å; P18-V21 PolarHBondContact O-N 2.92Å; P18-V21 VanDerWaalsContact O-N 3.08Å; P18-L36 HydrophobicContact CB-CD1 3.98Å; P18-F52 HydrophobicContact CB-CB 4.44Å; P18-F52 HydrophobicContact CB-CD1 4.22Å; P18-F52 HydrophobicContact CB-CD2 4.17Å; P18-F52 HydrophobicContact CB-CG 3.99Å; P18-H54 VanDerWaalsContact CG-CE1 3.43Å; P18-H54 WeakPolarHBondContact CG-CE1 3.34Å |
| 19 | E | 84.3 | Confident | 75.3 | Confident | 108 Ų | 108 | 74.1 Ų | 74.1 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -58.5 | -22.5 | 173.2 | 68 | -81.8 | -171 | 0 | 0 | 113.9 | H17 V21 L23 | H17-E19 VanDerWaalsContact CA-OE2 3.29Å; H17-E19 WeakPolarHBondContact CA-OE2 3.39Å; H17-E19 WeakPolarHBondContact CB-OE1 3.46Å; H17-E19 IonicContact CG-OE1 2.76Å; H17-E19 IonicContact ND1-OE1 3.56Å; H17-E19 PolarHBondContact ND1-OE1 3.02Å; H17-E19 PolarHBondContact O-N 3.44Å; H17-E19 VanDerWaalsContact O-N 3.13Å; E19-V21 VanDerWaalsContact C-N 3.35Å; E19-L23 WeakPolarHBondContact O-CD1 3.44Å; E19-L23 WeakPolarHBondContact O-CG 3.24Å |
| 20 | C | 85.1 | Confident | 74.7 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 5% | 0.054 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -82.7 | -7.6 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | H17 P18 C30 R31 P32 | H17-C20 HydrophobicContact CB-CB 4.26Å; H17-C20 WeakPolarHBondContact CB-SG 3.35Å; H17-C20 VanDerWaalsContact O-CB 3.31Å; H17-C20 WeakPolarHBondContact O-CB 3.34Å; H17-C20 PolarHBondContact O-N 3.36Å; P18-C20 PolarHBondContact O-N 3.34Å; P18-C20 VanDerWaalsContact O-N 3.14Å; C20-C30 VanDerWaalsContact CA-SG 3.54Å; C20-C30 HydrophobicContact CB-CB 3.64Å; C20-C30 WeakPolarHBondContact CB-SG 3.3Å; C20-C30 VanDerWaalsContact SG-C 3.53Å; C20-C30 VanDerWaalsContact SG-CA 3.56Å; C20-C30 WeakPolarHBondContact SG-CB 3.09Å; C20-C30 CovalentContact SG-SG 2.02Å; C20-C30 PolarHBondContact SG-SG 2.85Å; C20-R31 PolarHBondContact SG-N 2.76Å; C20-P32 HydrophobicContact CB-CB 4.09Å |
| 21 | V | 79.8 | Confident | 74.2 | Confident | 16 Ų | 16 | 82.9 Ų | 82.9 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -40.4 | -173.5 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | P18 E19 P32 L36 Q40 F52 | P18-V21 WeakPolarHBondContact O-CB 3.36Å; P18-V21 WeakPolarHBondContact O-CG2 3.28Å; P18-V21 PolarHBondContact O-N 2.92Å; P18-V21 VanDerWaalsContact O-N 3.08Å; E19-V21 VanDerWaalsContact C-N 3.35Å; V21-P32 HydrophobicContact CG2-CB 3.43Å; V21-P32 VanDerWaalsContact CG2-CB 3.43Å; V21-P32 HydrophobicContact CG2-CG 4.2Å; V21-L36 HydrophobicContact CG2-CB 4.49Å; V21-L36 HydrophobicContact CG2-CD1 4.37Å; V21-Q40 HydrophobicContact CG1-CG 4.46Å; V21-F52 HydrophobicContact CB-CE2 3.57Å; V21-F52 HydrophobicContact CB-CZ 3.87Å; V21-F52 HydrophobicContact CG1-CE2 3.64Å; V21-F52 HydrophobicContact CG1-CZ 3.77Å; V21-F52 HydrophobicContact CG2-CE2 3.74Å; V21-F52 HydrophobicContact CG2-CZ 3.58Å |
| 22 | D | 69.4 | Low | 74.1 | Confident | 133 Ų | 133 | 83.4 Ų | 83.4 | 71% | 0.711 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -86.5 | -16.6 | -178.6 | -64.6 | -31 | 0 | 0 | 0 | 112.9 | L24 | D22-L24 PolarHBondContact O-N 3.26Š|
| 23 | L | 62.9 | Low | 74.6 | Confident | 81 Ų | 81 | 80 Ų | 80 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -70.9 | 102.1 | 174.1 | -69.8 | 172.9 | 0 | 0 | 0 | 108.5 | E19 Q25 C30 | E19-L23 WeakPolarHBondContact O-CD1 3.44Å; E19-L23 WeakPolarHBondContact O-CG 3.24Å; L23-Q25 PolarHBondContact O-N 2.8Å; L23-C30 HydrophobicContact CD1-CB 4.24Å |
| 24 | L | 54.1 | Low | 75.2 | Confident | 154 Ų | 154 | 77.2 Ų | 77.2 | 81% | 0.806 | 39% | 0.387 | S | S | * | . | trans | -33 | 116.9 | 172 | -76.6 | 163.3 | 0 | 0 | 0 | 110.2 | D22 G26 K27 | D22-L24 PolarHBondContact O-N 3.26Å; L24-G26 PolarHBondContact O-N 3Å; L24-K27 PolarHBondContact O-N 3.37Å | ||
| 25 | Q | 55.3 | Low | 76.1 | Confident | 165 Ų | 165 | 75.1 Ų | 75.1 | 77% | 0.771 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 2.6 | -172.2 | -70.3 | -177 | -11.6 | 0 | 0 | 115.5 | L23 | L23-Q25 PolarHBondContact O-N 2.8Š|
| 26 | G | 52.9 | Low | 76.8 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 77% | 0.773 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | L24 | L24-G26 PolarHBondContact O-N 3Š|
| 27 | K | 53.3 | Low | 77.1 | Confident | 200 Ų | 200 | 75.5 Ų | 75.5 | 87% | 0.87 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -13.4 | -174.1 | -100.3 | -177.8 | 178.3 | 179 | 0 | 117.1 | L24 | L24-K27 PolarHBondContact O-N 3.37Š|
| 28 | T | 56.3 | Low | 77.5 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | trans | -140.3 | 140.3 | 178 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | C30 | T28-C30 PolarHBondContact O-N 2.59Š| ||
| 29 | R | 74.9 | Confident | 78 | Confident | 259 Ų | 259 | 72.2 Ų | 72.2 | 98% | 0.977 | 36% | 0.362 | S | S | * | . | trans | -71.6 | 31.4 | 174.4 | -67.2 | -175 | -176.7 | 177.4 | 1.8 | 112.5 | ||||
| 30 | C | 82.2 | Confident | 78.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | trans | -79.2 | 133.3 | 177.8 | -150.7 | 0 | 0 | 0 | 0 | 108 | C20 L23 T28 | C20-C30 VanDerWaalsContact CA-SG 3.54Å; C20-C30 HydrophobicContact CB-CB 3.64Å; C20-C30 WeakPolarHBondContact CB-SG 3.3Å; C20-C30 VanDerWaalsContact SG-C 3.53Å; C20-C30 VanDerWaalsContact SG-CA 3.56Å; C20-C30 WeakPolarHBondContact SG-CB 3.09Å; C20-C30 CovalentContact SG-SG 2.02Å; C20-C30 PolarHBondContact SG-SG 2.85Å; L23-C30 HydrophobicContact CD1-CB 4.24Å; T28-C30 PolarHBondContact O-N 2.59Å | ||
| 31 | R | 85.1 | Confident | 78.8 | Confident | 139 Ų | 139 | 71.1 Ų | 71.1 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | trans | -128 | 130.3 | 175.7 | -69 | -171.4 | -177.8 | 170.7 | 1.2 | 109.4 | C20 G33 R352 Y353 | C20-R31 PolarHBondContact SG-N 2.76Å; R31-G33 PolarHBondContact O-N 3.28Å; R31-R352 PolarHBondContact NH1-O 2.97Å; R31-Y353 HydrophobicContact CB-CE1 3.67Å; R31-Y353 HydrophobicContact CG-CE1 4.48Å | ||
| 32 | P | 89.1 | Confident | 79.6 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 7% | 0.071 | 35% | 0.353 | C | S | . | . | trans | -72.6 | -14.2 | -170 | 31.2 | -38 | 0 | 0 | 0 | 114.4 | H17 C20 V21 L36 D37 | H17-P32 PolarHBondContact N-O 3.22Å; H17-P32 VanDerWaalsContact O-CA 3.29Å; H17-P32 WeakPolarHBondContact O-CA 3.3Å; C20-P32 HydrophobicContact CB-CB 4.09Å; V21-P32 HydrophobicContact CG2-CB 3.43Å; V21-P32 VanDerWaalsContact CG2-CB 3.43Å; V21-P32 HydrophobicContact CG2-CG 4.2Å; P32-L36 HydrophobicContact CB-CB 3.93Å; P32-L36 HydrophobicContact CB-CD1 4.38Å; P32-D37 HydrophobicContact CG-CB 4.3Å | ||
| 33 | G | 90.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | 106 | 154.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q15 R31 E35 L36 D37 Y353 | Q15-G33 WeakPolarHBondContact O-CA 3.48Å; R31-G33 PolarHBondContact O-N 3.28Å; G33-E35 PolarHBondContact O-N 3.42Å; G33-L36 PolarHBondContact O-N 3.34Å; G33-D37 VanDerWaalsContact O-CB 3.22Å; G33-D37 WeakPolarHBondContact O-CB 3.49Å; G33-D37 PolarHBondContact O-N 2.94Å; G33-Y353 PolarHBondContact N-OH 2.98Å | ||
| 34 | P | 92.5 | Very high | 82.2 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -34.3 | -172.9 | 24.8 | -33.5 | 0 | 0 | 0 | 112.6 | I38 W106 V349 L350 Y353 | P34-I38 WeakPolarHBondContact O-CD1 3.45Å; P34-I38 VanDerWaalsContact O-CG1 3.27Å; P34-I38 WeakPolarHBondContact O-CG1 3.37Å; P34-I38 PolarHBondContact O-N 3.34Å; P34-I38 VanDerWaalsContact O-N 3.12Å; P34-W106 HydrophobicContact CB-CH2 3.95Å; P34-W106 HydrophobicContact CB-CZ3 4.28Å; P34-W106 HydrophobicContact CG-CH2 4.1Å; P34-V349 HydrophobicContact CB-CG1 4.33Å; P34-L350 HydrophobicContact CB-CD1 4.08Å; P34-L350 HydrophobicContact CG-CD1 4.14Å; P34-Y353 HydrophobicContact CB-CD2 3.8Å; P34-Y353 HydrophobicContact CB-CE2 4.09Å; P34-Y353 HydrophobicContact CB-CG 4.36Å; P34-Y353 HydrophobicContact CG-CD2 4.31Å; P34-Y353 HydrophobicContact CG-CG 4.38Å |
| 35 | E | 94 | Very high | 84.1 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -44.9 | -179.4 | -57.6 | 177 | -159.2 | 0 | 0 | 111.5 | M16 G33 L39 N87 I88 W106 Y323 | M16-E35 HydrophobicContact CE-CB 4.48Å; G33-E35 PolarHBondContact O-N 3.42Å; E35-L39 PolarHBondContact O-N 2.8Å; E35-N87 WeakPolarHBondContact OE2-CA 3.41Å; E35-I88 HydrophobicContact CB-CG2 4.37Å; E35-I88 HydrophobicContact CG-CD1 3.94Å; E35-I88 HydrophobicContact CG-CG1 4.03Å; E35-I88 HydrophobicContact CG-CG2 4.12Å; E35-I88 PolarHBondContact OE2-N 2.85Å; E35-W106 HydrophobicContact CG-CH2 3.8Å; E35-W106 HydrophobicContact CG-CZ2 4.17Å; E35-Y323 PolarHBondContact O-OH 2.84Å |
| 36 | L | 94.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.4 | -35 | 177.6 | -65.1 | -173.2 | 0 | 0 | 0 | 112.1 | V10 M16 P18 V21 P32 G33 L39 Q40 F52 | V10-L36 HydrophobicContact CG2-CD1 4.5Å; V10-L36 HydrophobicContact CG2-CD2 4.08Å; M16-L36 HydrophobicContact CE-CD1 3.96Å; M16-L36 HydrophobicContact CE-CD2 3.41Å; M16-L36 VanDerWaalsContact CE-CD2 3.41Å; M16-L36 HydrophobicContact CE-CG 3.48Å; M16-L36 VanDerWaalsContact CE-CG 3.48Å; P18-L36 HydrophobicContact CB-CD1 3.98Å; V21-L36 HydrophobicContact CG2-CB 4.49Å; V21-L36 HydrophobicContact CG2-CD1 4.37Å; P32-L36 HydrophobicContact CB-CB 3.93Å; P32-L36 HydrophobicContact CB-CD1 4.38Å; G33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 3.2Å; L36-Q40 WeakPolarHBondContact O-CB 3.43Å; L36-Q40 PolarHBondContact O-N 3.02Å; L36-F52 HydrophobicContact CD1-CE1 4.32Å; L36-F52 HydrophobicContact CD2-CE1 3.96Å |
| 37 | D | 92.9 | Very high | 87.9 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 178.1 | -164.8 | 4.2 | 0 | 0 | 0 | 111.3 | P32 G33 L41 V349 Y353 | P32-D37 HydrophobicContact CG-CB 4.3Å; G33-D37 VanDerWaalsContact O-CB 3.22Å; G33-D37 WeakPolarHBondContact O-CB 3.49Å; G33-D37 PolarHBondContact O-N 2.94Å; D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.36Å; D37-V349 HydrophobicContact CB-CG1 3.88Å; D37-V349 WeakPolarHBondContact OD2-CG1 3.44Å; D37-Y353 PolarHBondContact OD2-OH 3.46Å |
| 38 | I | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.2 | -69.9 | 168 | 0 | 0 | 0 | 111.5 | P34 L41 A42 V105 W106 Y323 L339 K346 V349 | P34-I38 WeakPolarHBondContact O-CD1 3.45Å; P34-I38 VanDerWaalsContact O-CG1 3.27Å; P34-I38 WeakPolarHBondContact O-CG1 3.37Å; P34-I38 PolarHBondContact O-N 3.34Å; P34-I38 VanDerWaalsContact O-N 3.12Å; I38-L41 PolarHBondContact O-N 3.46Å; I38-A42 PolarHBondContact O-N 3.5Å; I38-V105 HydrophobicContact CD1-CG1 3.81Å; I38-V105 HydrophobicContact CG2-CG1 4.32Å; I38-W106 HydrophobicContact CD1-CE3 4.01Å; I38-W106 HydrophobicContact CD1-CZ3 3.49Å; I38-W106 VanDerWaalsContact CD1-CZ3 3.49Å; I38-Y323 HydrophobicContact CG2-CE2 4.36Å; I38-L339 HydrophobicContact CG2-CD2 3.81Å; I38-K346 HydrophobicContact CD1-CB 3.79Å; I38-K346 HydrophobicContact CD1-CG 4.03Å; I38-K346 HydrophobicContact CG1-CB 4.44Å; I38-K346 HydrophobicContact CG1-CG 4.37Å; I38-K346 HydrophobicContact CG2-CG 4.23Å; I38-V349 HydrophobicContact CG1-CB 4.21Å; I38-V349 HydrophobicContact CG1-CG1 4.1Å; I38-V349 HydrophobicContact CG1-CG2 4.4Å |
| 39 | L | 94.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | -179.4 | -172.7 | 61.7 | 0 | 0 | 0 | 111.5 | V8 E35 L36 A42 A43 I50 Y323 L335 | V8-L39 HydrophobicContact CB-CD2 4.39Å; V8-L39 HydrophobicContact CG1-CD2 3.58Å; V8-L39 HydrophobicContact CG2-CD2 3.81Å; E35-L39 PolarHBondContact O-N 2.8Å; L36-L39 PolarHBondContact O-N 3.2Å; L39-A42 PolarHBondContact O-N 3.14Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.73Å; L39-I50 HydrophobicContact CG-CD1 4.37Å; L39-Y323 HydrophobicContact CB-CE1 4.26Å; L39-Y323 HydrophobicContact CD2-CE1 4.37Å; L39-L335 HydrophobicContact CD1-CD1 4.35Å; L39-L335 HydrophobicContact CD1-CD2 4.43Å |
| 40 | Q | 93.2 | Very high | 92.3 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.3 | -177 | 176.1 | 18.4 | 0 | 0 | 111.5 | V21 L36 A42 A43 T44 I50 | V21-Q40 HydrophobicContact CG1-CG 4.46Å; L36-Q40 WeakPolarHBondContact O-CB 3.43Å; L36-Q40 PolarHBondContact O-N 3.02Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.39Å; Q40-A43 PolarHBondContact O-N 2.97Å; Q40-T44 WeakPolarHBondContact O-CB 3.48Å; Q40-T44 PolarHBondContact O-N 3.24Å; Q40-T44 PolarHBondContact O-OG1 3.37Å; Q40-I50 HydrophobicContact CB-CD1 4.43Å |
| 41 | L | 93.6 | Very high | 92.8 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.2 | -177.6 | 63.9 | 0 | 0 | 0 | 111.2 | D37 I38 T44 M45 I342 Y345 | D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.36Å; I38-L41 PolarHBondContact O-N 3.46Å; L41-T44 PolarHBondContact O-N 2.64Å; L41-M45 WeakPolarHBondContact O-CG 3.26Å; L41-M45 PolarHBondContact O-N 2.92Å; L41-I342 HydrophobicContact CB-CD1 4.16Å; L41-I342 HydrophobicContact CD2-CD1 3.93Å; L41-I342 HydrophobicContact CD2-CG1 3.97Å; L41-I342 HydrophobicContact CD2-CG2 3.86Å; L41-I342 HydrophobicContact CG-CD1 3.93Å; L41-I342 HydrophobicContact CG-CG1 4.24Å; L41-Y345 HydrophobicContact CD2-CD1 3.49Å; L41-Y345 VanDerWaalsContact CD2-CD1 3.49Å; L41-Y345 HydrophobicContact CD2-CE1 3.54Å |
| 42 | A | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I38 L39 Q40 M45 L46 L335 A338 L339 I342 | I38-A42 PolarHBondContact O-N 3.5Å; L39-A42 PolarHBondContact O-N 3.14Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; Q40-A42 PolarHBondContact O-N 3.39Å; A42-M45 PolarHBondContact O-N 3.08Å; A42-L46 WeakPolarHBondContact O-CG 3.4Å; A42-L46 PolarHBondContact O-N 3.2Å; A42-L335 HydrophobicContact CB-CD1 4Å; A42-A338 HydrophobicContact CB-CB 4.26Å; A42-L339 HydrophobicContact CB-CD2 3.9Å; A42-L339 HydrophobicContact CB-CG 4.26Å; A42-I342 HydrophobicContact CB-CD1 3.78Å |
| 43 | A | 93.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 Q40 L46 N47 M48 I50 | L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.73Å; Q40-A43 PolarHBondContact O-N 2.97Å; A43-L46 CarbonylContact O-C 3.59Å; A43-L46 PolarHBondContact O-N 3.33Å; A43-L46 VanDerWaalsContact O-N 3.11Å; A43-N47 PolarHBondContact O-N 3.17Å; A43-N47 VanDerWaalsContact O-N 3.09Å; A43-M48 HydrophobicContact CB-CB 4.32Å; A43-M48 PolarHBondContact O-N 3.49Å; A43-I50 HydrophobicContact CB-CD1 3.68Å; A43-I50 HydrophobicContact CB-CG1 3.79Å |
| 44 | T | 92.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 42 Ų | 42 | 53% | 0.534 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | Q40 L41 L46 N47 | Q40-T44 WeakPolarHBondContact O-CB 3.48Å; Q40-T44 PolarHBondContact O-N 3.24Å; Q40-T44 PolarHBondContact O-OG1 3.37Å; L41-T44 PolarHBondContact O-N 2.64Å; T44-L46 PolarHBondContact O-N 3.43Å; T44-N47 PolarHBondContact O-N 2.98Å |
| 45 | M | 94 | Very high | 93.8 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60 | -26.3 | 175.1 | -71.6 | 175.1 | 65.8 | 0 | 0 | 113.1 | L41 A42 T341 I342 | L41-M45 WeakPolarHBondContact O-CG 3.26Å; L41-M45 PolarHBondContact O-N 2.92Å; A42-M45 PolarHBondContact O-N 3.08Å; M45-T341 HydrophobicContact CE-CG2 3.8Å; M45-I342 HydrophobicContact SD-CD1 4.16Å; M45-I342 HydrophobicContact SD-CG1 3.62Å |
| 46 | L | 94.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 7.3 | -177.1 | -61.8 | 177.2 | 0 | 0 | 0 | 113.2 | A42 A43 T44 M48 T334 L335 A338 | A42-L46 WeakPolarHBondContact O-CG 3.4Å; A42-L46 PolarHBondContact O-N 3.2Å; A43-L46 CarbonylContact O-C 3.59Å; A43-L46 PolarHBondContact O-N 3.33Å; A43-L46 VanDerWaalsContact O-N 3.11Å; T44-L46 PolarHBondContact O-N 3.43Å; L46-M48 HydrophobicContact CB-CE 3.38Å; L46-M48 HydrophobicContact CB-CG 3.99Å; L46-M48 HydrophobicContact CD1-CE 3.22Å; L46-M48 HydrophobicContact CG-CE 3.9Å; L46-M48 WeakPolarHBondContact O-CG 3.37Å; L46-M48 PolarHBondContact O-N 2.96Å; L46-T334 HydrophobicContact CD1-CG2 4.03Å; L46-T334 HydrophobicContact CD2-CG2 3.61Å; L46-T334 HydrophobicContact CG-CG2 4.45Å; L46-L335 HydrophobicContact CD1-CD1 4.22Å; L46-A338 HydrophobicContact CD1-CB 3.67Å; L46-A338 HydrophobicContact CD2-CB 4.17Å; L46-A338 HydrophobicContact CG-CB 3.9Å |
| 47 | N | 93.5 | Very high | 93.1 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40 | -174.7 | -66.7 | -32.4 | 0 | 0 | 0 | 113.4 | A43 T44 | A43-N47 PolarHBondContact O-N 3.17Å; A43-N47 VanDerWaalsContact O-N 3.09Å; T44-N47 PolarHBondContact O-N 2.98Å |
| 48 | M | 91.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | trans | -105.3 | 148.3 | 178.4 | -62.7 | -159.5 | -110.3 | 0 | 0 | 111.5 | S4 I6 A43 L46 M331 | S4-M48 WeakPolarHBondContact OG-CG 3.37Å; S4-M48 PolarHBondContact OG-SD 3.13Å; I6-M48 HydrophobicContact CD1-CB 4.19Å; I6-M48 HydrophobicContact CD1-CE 3.87Å; I6-M48 HydrophobicContact CD1-CG 4.42Å; I6-M48 HydrophobicContact CD1-SD 3.31Å; I6-M48 WeakPolarHBondContact CD1-SD 3.46Å; I6-M48 HydrophobicContact CG1-SD 3.79Å; A43-M48 HydrophobicContact CB-CB 4.32Å; A43-M48 PolarHBondContact O-N 3.49Å; L46-M48 HydrophobicContact CB-CE 3.38Å; L46-M48 HydrophobicContact CB-CG 3.99Å; L46-M48 HydrophobicContact CD1-CE 3.22Å; L46-M48 HydrophobicContact CG-CE 3.9Å; L46-M48 WeakPolarHBondContact O-CG 3.37Å; L46-M48 PolarHBondContact O-N 2.96Å; M48-M331 HydrophobicContact CE-SD 3.99Å; M48-M331 HydrophobicContact SD-CE 3.7Å; M48-M331 HydrophobicContact SD-SD 3.36Å | ||
| 49 | T | 92.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.2 | 172.5 | 53 | 0 | 0 | 0 | 0 | 109.8 | S4 V5 I6 | S4-T49 PolarHBondContact O-N 3.37Å; V5-T49 CarbonylContact C-O 3.53Å; V5-T49 WeakPolarHBondContact CA-O 3.31Å; V5-T49 WeakPolarHBondContact CG2-OG1 3.48Å; I6-T49 PolarHBondContact N-O 2.95Å |
| 50 | I | 93.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.4 | 178.7 | -65.7 | 173.4 | 0 | 0 | 0 | 108.7 | V8 L39 Q40 A43 F52 | V8-I50 HydrophobicContact CB-CG2 3.75Å; V8-I50 HydrophobicContact CG2-CB 4.47Å; V8-I50 HydrophobicContact CG2-CG1 4.37Å; V8-I50 HydrophobicContact CG2-CG2 3.49Å; V8-I50 VanDerWaalsContact CG2-CG2 3.49Å; L39-I50 HydrophobicContact CG-CD1 4.37Å; Q40-I50 HydrophobicContact CB-CD1 4.43Å; A43-I50 HydrophobicContact CB-CD1 3.68Å; A43-I50 HydrophobicContact CB-CG1 3.79Å; I50-F52 HydrophobicContact CB-CZ 4.37Å; I50-F52 HydrophobicContact CG2-CD1 3.96Å; I50-F52 HydrophobicContact CG2-CD2 4.41Å; I50-F52 HydrophobicContact CG2-CE1 3.49Å; I50-F52 VanDerWaalsContact CG2-CE1 3.49Å; I50-F52 HydrophobicContact CG2-CE2 3.96Å; I50-F52 HydrophobicContact CG2-CG 4.4Å; I50-F52 HydrophobicContact CG2-CZ 3.46Å; I50-F52 VanDerWaalsContact CG2-CZ 3.46Å |
| 51 | S | 94.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.5 | 168 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | I6 R7 V8 | I6-S51 PolarHBondContact O-N 3.17Å; R7-S51 CarbonylContact C-O 3.45Å; R7-S51 WeakPolarHBondContact CA-O 3.45Å; V8-S51 PolarHBondContact N-O 3.08Å |
| 52 | F | 94.2 | Very high | 91.6 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.7 | -178.6 | -63.8 | -67.2 | 0 | 0 | 0 | 112.2 | V8 V10 P18 V21 L36 I50 | V8-F52 HydrophobicContact CB-CD1 4.06Å; V8-F52 HydrophobicContact CB-CE1 4.2Å; V8-F52 HydrophobicContact CG1-CD1 4.03Å; V8-F52 HydrophobicContact CG1-CE1 3.98Å; V8-F52 WeakPolarHBondContact O-CA 3.44Å; V10-F52 HydrophobicContact CG2-CD1 3.6Å; V10-F52 HydrophobicContact CG2-CE1 4.22Å; V10-F52 HydrophobicContact CG2-CG 4.49Å; P18-F52 HydrophobicContact CB-CB 4.44Å; P18-F52 HydrophobicContact CB-CD1 4.22Å; P18-F52 HydrophobicContact CB-CD2 4.17Å; P18-F52 HydrophobicContact CB-CG 3.99Å; V21-F52 HydrophobicContact CB-CE2 3.57Å; V21-F52 HydrophobicContact CB-CZ 3.87Å; V21-F52 HydrophobicContact CG1-CE2 3.64Å; V21-F52 HydrophobicContact CG1-CZ 3.77Å; V21-F52 HydrophobicContact CG2-CE2 3.74Å; V21-F52 HydrophobicContact CG2-CZ 3.58Å; L36-F52 HydrophobicContact CD1-CE1 4.32Å; L36-F52 HydrophobicContact CD2-CE1 3.96Å; I50-F52 HydrophobicContact CB-CZ 4.37Å; I50-F52 HydrophobicContact CG2-CD1 3.96Å; I50-F52 HydrophobicContact CG2-CD2 4.41Å; I50-F52 HydrophobicContact CG2-CE1 3.49Å; I50-F52 VanDerWaalsContact CG2-CE1 3.49Å; I50-F52 HydrophobicContact CG2-CE2 3.96Å; I50-F52 HydrophobicContact CG2-CG 4.4Å; I50-F52 HydrophobicContact CG2-CZ 3.46Å; I50-F52 VanDerWaalsContact CG2-CZ 3.46Å |
| 53 | V | 94.7 | Very high | 91.4 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.4 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | R7 V8 G9 V10 M76 I82 | R7-V53 HydrophobicContact CB-CG2 4.33Å; V8-V53 PolarHBondContact O-N 3.37Å; G9-V53 CarbonylContact C-O 3.57Å; G9-V53 VanDerWaalsContact CA-O 3.28Å; G9-V53 WeakPolarHBondContact CA-O 3.3Å; V10-V53 PolarHBondContact N-O 2.73Å; V53-M76 HydrophobicContact CB-CE 4.02Å; V53-M76 HydrophobicContact CG1-CE 3.46Å; V53-M76 VanDerWaalsContact CG1-CE 3.46Å; V53-I82 HydrophobicContact CB-CG2 3.64Å; V53-I82 HydrophobicContact CG1-CG2 4.13Å; V53-I82 HydrophobicContact CG2-CG2 3.93Å |
| 54 | H | 93.9 | Very high | 91 | Very high | 126 Ų | 126 | 60.2 Ų | 60.2 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134.9 | -174.5 | -62.7 | -88.9 | 0 | 0 | 0 | 111.8 | V10 P18 | V10-H54 WeakPolarHBondContact O-CA 3.43Å; P18-H54 VanDerWaalsContact CG-CE1 3.43Å; P18-H54 WeakPolarHBondContact CG-CE1 3.34Å |
| 55 | S | 93.3 | Very high | 90.5 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | trans | -80.6 | 134.1 | 172 | -158.2 | 0 | 0 | 0 | 0 | 111 | V10 E57 S72 M76 | V10-S55 PolarHBondContact O-N 3.2Å; S55-E57 VanDerWaalsContact C-N 3.3Å; S55-E57 WeakPolarHBondContact CB-O 3.5Å; S55-E57 PolarHBondContact OG-O 3.31Å; S55-S72 WeakPolarHBondContact OG-CA 3.29Å; S55-S72 PolarHBondContact OG-OG 3.5Å; S55-M76 VanDerWaalsContact CB-SD 3.53Å; S55-M76 PolarHBondContact OG-SD 3.28Å; S55-M76 VanDerWaalsContact OG-SD 3.42Å | ||
| 56 | A | 89.1 | Confident | 89.8 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 89% | 0.893 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -70 | -29.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 57 | E | 86.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -102.3 | 140.1 | 178.6 | -64.9 | -169.6 | -159.1 | 0 | 0 | 110.8 | S55 R64 T71 S72 | S55-E57 VanDerWaalsContact C-N 3.3Å; S55-E57 WeakPolarHBondContact CB-O 3.5Å; S55-E57 PolarHBondContact OG-O 3.31Å; E57-R64 IonicContact OE1-NH2 2.69Å; E57-R64 PolarHBondContact OE1-NH2 3.1Å; E57-R64 IonicContact OE2-NH2 2.6Å; E57-T71 VanDerWaalsContact OE2-CB 3.23Å; E57-T71 WeakPolarHBondContact OE2-CB 3.4Å; E57-S72 WeakPolarHBondContact O-CB 3.3Å; E57-S72 PolarHBondContact O-OG 2.89Å |
| 58 | K | 83.7 | Confident | 88.6 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | trans | -78.1 | 139.7 | 177.9 | -66.9 | -179.1 | 174.8 | 178.7 | 0 | 111.5 | S11 S272 | S11-K58 WeakPolarHBondContact OG-CA 3.36Å; K58-S272 PolarHBondContact NZ-OG 2.89Å | ||
| 59 | G | 85.7 | Confident | 88.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 116.5 | -170.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | S11 S72 | S11-G59 WeakPolarHBondContact CB-O 3.3Å; S11-G59 PolarHBondContact OG-N 2.99Å; G59-S72 PolarHBondContact O-OG 3.48Å |
| 60 | C | 91.1 | Very high | 88.7 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.5 | -23.4 | 176 | -75.8 | 0 | 0 | 0 | 0 | 113.1 | L73 M74 C89 | C60-L73 WeakPolarHBondContact O-CB 3.36Å; C60-M74 HydrophobicContact CB-CE 4.47Å; C60-M74 WeakPolarHBondContact O-CE 3.26Å; C60-M74 VanDerWaalsContact O-CG 3.26Å; C60-M74 WeakPolarHBondContact O-CG 3.23Å; C60-M74 PolarHBondContact O-N 2.93Å; C60-C89 HydrophobicContact CB-CB 3.68Å; C60-C89 WeakPolarHBondContact CB-SG 3.34Å; C60-C89 WeakPolarHBondContact SG-CA 3.42Å; C60-C89 WeakPolarHBondContact SG-CB 3.26Å; C60-C89 CovalentContact SG-SG 2.02Å; C60-C89 PolarHBondContact SG-SG 3.38Å |
| 61 | G | 89.9 | Confident | 88.6 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | trans | 108.6 | 138.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T71 R95 | G61-T71 WeakPolarHBondContact CA-O 3.3Å; G61-T71 WeakPolarHBondContact CA-OG1 3.3Å; G61-R95 PolarHBondContact O-NH2 3.04Å | ||
| 62 | L | 87.7 | Confident | 88.6 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | trans | -116.4 | 146.6 | 174 | -64.9 | 174.7 | 0 | 0 | 0 | 108.5 | T71 | L62-T71 PolarHBondContact N-OG1 3.19Å; L62-T71 PolarHBondContact O-N 3.4Å; L62-T71 PolarHBondContact O-OG1 3.44Å | ||
| 63 | S | 89.3 | Confident | 88.7 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.5 | 171.8 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | G67 E94 | S63-G67 WeakPolarHBondContact OG-CA 3.42Å; S63-G67 PolarHBondContact OG-N 3.46Å; S63-E94 WeakPolarHBondContact CB-OE1 3.42Å; S63-E94 WeakPolarHBondContact CB-OE2 3.34Å; S63-E94 PolarHBondContact OG-OE1 2.85Å |
| 64 | R | 85.7 | Confident | 88.8 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.4 | 169.4 | -69.9 | -178.2 | -175.6 | 164.2 | 11.1 | 107.6 | E57 N66 G67 A68 S69 T71 | E57-R64 IonicContact OE1-NH2 2.69Å; E57-R64 PolarHBondContact OE1-NH2 3.1Å; E57-R64 IonicContact OE2-NH2 2.6Å; R64-N66 VanDerWaalsContact C-N 3.34Å; R64-N66 PolarHBondContact O-N 3.36Å; R64-G67 PolarHBondContact O-N 3.33Å; R64-A68 PolarHBondContact O-N 3.26Å; R64-S69 VanDerWaalsContact CB-OG 3.28Å; R64-S69 WeakPolarHBondContact CB-OG 3.41Å; R64-S69 PolarHBondContact N-O 3.4Å; R64-S69 PolarHBondContact O-N 3.48Å; R64-S69 VanDerWaalsContact O-O 3.12Å; R64-T71 HydrophobicContact CG-CG2 4.06Å |
| 65 | D | 83.6 | Confident | 88.9 | Confident | 126 Ų | 126 | 47.2 Ų | 47.2 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | 54.9 | 46.9 | 175 | -45.9 | -42.9 | 0 | 0 | 0 | 113.1 | G67 A68 S69 | D65-G67 VanDerWaalsContact C-N 3.3Å; D65-G67 PolarHBondContact O-N 3.38Å; D65-A68 HydrophobicContact CB-CB 4.11Å; D65-A68 WeakPolarHBondContact O-CB 3.34Å; D65-A68 PolarHBondContact O-N 3.05Å; D65-S69 PolarHBondContact OD2-OG 2.88Å |
| 66 | N | 78.7 | Confident | 89.1 | Confident | 170 Ų | 170 | 46.8 Ų | 46.8 | 91% | 0.909 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | 53.9 | 40.8 | 178.8 | -60.6 | -19.7 | 0 | 0 | 0 | 114.1 | R64 | R64-N66 VanDerWaalsContact C-N 3.34Å; R64-N66 PolarHBondContact O-N 3.36Å |
| 67 | G | 79.2 | Confident | 89.4 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | 96.8 | -4.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S63 R64 D65 S69 W70 | S63-G67 WeakPolarHBondContact OG-CA 3.42Å; S63-G67 PolarHBondContact OG-N 3.46Å; R64-G67 PolarHBondContact O-N 3.33Å; D65-G67 VanDerWaalsContact C-N 3.3Å; D65-G67 PolarHBondContact O-N 3.38Å; G67-S69 VanDerWaalsContact C-N 3.33Å; G67-S69 PolarHBondContact O-N 2.86Å; G67-W70 PolarHBondContact O-NE1 2.8Å |
| 68 | A | 84.1 | Confident | 89.9 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 69% | 0.694 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R64 D65 | R64-A68 PolarHBondContact O-N 3.26Å; D65-A68 HydrophobicContact CB-CB 4.11Å; D65-A68 WeakPolarHBondContact O-CB 3.34Å; D65-A68 PolarHBondContact O-N 3.05Å |
| 69 | S | 92.1 | Very high | 90.4 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.3 | 173.8 | 69 | 0 | 0 | 0 | 0 | 112 | R64 D65 G67 | R64-S69 VanDerWaalsContact CB-OG 3.28Å; R64-S69 WeakPolarHBondContact CB-OG 3.41Å; R64-S69 PolarHBondContact N-O 3.4Å; R64-S69 PolarHBondContact O-N 3.48Å; R64-S69 VanDerWaalsContact O-O 3.12Å; D65-S69 PolarHBondContact OD2-OG 2.88Å; G67-S69 VanDerWaalsContact C-N 3.33Å; G67-S69 PolarHBondContact O-N 2.86Å |
| 70 | W | 93.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.6 | -178 | -72 | 85 | 0 | 0 | 0 | 110.7 | G67 M74 G75 E94 R95 M98 F99 | G67-W70 PolarHBondContact O-NE1 2.8Å; W70-M74 HydrophobicContact CB-CB 3.92Å; W70-M74 HydrophobicContact CD2-CB 3.98Å; W70-M74 HydrophobicContact CE3-CB 3.6Å; W70-M74 HydrophobicContact CE3-CG 3.88Å; W70-M74 HydrophobicContact CG-CB 4.14Å; W70-M74 HydrophobicContact CZ3-CB 4.4Å; W70-M74 HydrophobicContact CZ3-CG 4.19Å; W70-G75 WeakPolarHBondContact O-CA 3.44Å; W70-E94 HydrophobicContact CH2-CB 4.18Å; W70-E94 HydrophobicContact CH2-CG 3.69Å; W70-E94 WeakPolarHBondContact CH2-O 3.37Å; W70-E94 HydrophobicContact CZ2-CG 3.94Å; W70-E94 WeakPolarHBondContact CZ2-O 3.4Å; W70-R95 HydrophobicContact CH2-CB 4.47Å; W70-R95 HydrophobicContact CH2-CG 3.81Å; W70-R95 HydrophobicContact CZ3-CG 3.79Å; W70-M98 HydrophobicContact CZ2-CG 4.32Å; W70-F99 AromaticContact CD1-CZ 3.93Å; W70-F99 AromaticContact CD2-CE2 3.79Å; W70-F99 HydrophobicContact CD2-CE2 3.79Å; W70-F99 HydrophobicContact CD2-CZ 4.21Å; W70-F99 AromaticContact CE2-CE2 3.71Å; W70-F99 HydrophobicContact CE3-CE2 4.28Å; W70-F99 HydrophobicContact CG-CE2 4.08Å; W70-F99 AromaticContact CG-CZ 3.99Å; W70-F99 HydrophobicContact CG-CZ 3.99Å; W70-F99 HydrophobicContact CZ2-CE2 4.1Å; W70-F99 AromaticContact NE1-CE2 3.95Å |
| 71 | T | 91.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | trans | -92.2 | 168.7 | 176 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | E57 G61 L62 R64 L73 G75 | E57-T71 VanDerWaalsContact OE2-CB 3.23Å; E57-T71 WeakPolarHBondContact OE2-CB 3.4Å; G61-T71 WeakPolarHBondContact CA-O 3.3Å; G61-T71 WeakPolarHBondContact CA-OG1 3.3Å; L62-T71 PolarHBondContact N-OG1 3.19Å; L62-T71 PolarHBondContact O-N 3.4Å; L62-T71 PolarHBondContact O-OG1 3.44Å; R64-T71 HydrophobicContact CG-CG2 4.06Å; T71-L73 PolarHBondContact O-N 2.95Å; T71-G75 PolarHBondContact O-N 3.14Å | ||
| 72 | S | 93.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | 44.7 | -134.6 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 113.1 | S55 E57 G59 G75 M76 | S55-S72 WeakPolarHBondContact OG-CA 3.29Å; S55-S72 PolarHBondContact OG-OG 3.5Å; E57-S72 WeakPolarHBondContact O-CB 3.3Å; E57-S72 PolarHBondContact O-OG 2.89Å; G59-S72 PolarHBondContact O-OG 3.48Å; S72-G75 WeakPolarHBondContact O-CA 3.26Å; S72-G75 PolarHBondContact O-N 2.86Å; S72-G75 VanDerWaalsContact O-N 3.11Å; S72-M76 WeakPolarHBondContact O-CG 3.28Å; S72-M76 PolarHBondContact O-N 3.23Å |
| 73 | L | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | -173.7 | -61.6 | 175.6 | 0 | 0 | 0 | 114.3 | G9 C60 T71 G75 M76 L77 I82 T85 N87 | G9-L73 VanDerWaalsContact C-CD2 3.43Å; G9-L73 WeakPolarHBondContact O-CD2 3.28Å; C60-L73 WeakPolarHBondContact O-CB 3.36Å; T71-L73 PolarHBondContact O-N 2.95Å; L73-G75 PolarHBondContact O-N 3.46Å; L73-M76 HydrophobicContact CD2-SD 4.01Å; L73-M76 WeakPolarHBondContact O-CB 3.41Å; L73-M76 PolarHBondContact O-N 3.49Å; L73-M76 VanDerWaalsContact O-N 3.16Å; L73-L77 PolarHBondContact O-N 2.86Å; L73-I82 HydrophobicContact CD2-CD1 4.34Å; L73-T85 HydrophobicContact CB-CG2 4.01Å; L73-T85 HydrophobicContact CD1-CG2 4.45Å; L73-N87 HydrophobicContact CD1-CB 3.56Å; L73-N87 WeakPolarHBondContact CD1-OD1 3.44Å |
| 74 | M | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 173.6 | -69.1 | -42 | 116 | 0 | 0 | 111.3 | C60 W70 L77 S78 T85 C89 R95 F99 F324 | C60-M74 HydrophobicContact CB-CE 4.47Å; C60-M74 WeakPolarHBondContact O-CE 3.26Å; C60-M74 VanDerWaalsContact O-CG 3.26Å; C60-M74 WeakPolarHBondContact O-CG 3.23Å; C60-M74 PolarHBondContact O-N 2.93Å; W70-M74 HydrophobicContact CB-CB 3.92Å; W70-M74 HydrophobicContact CD2-CB 3.98Å; W70-M74 HydrophobicContact CE3-CB 3.6Å; W70-M74 HydrophobicContact CE3-CG 3.88Å; W70-M74 HydrophobicContact CG-CB 4.14Å; W70-M74 HydrophobicContact CZ3-CB 4.4Å; W70-M74 HydrophobicContact CZ3-CG 4.19Å; M74-L77 HydrophobicContact CE-CD1 4.45Å; M74-L77 PolarHBondContact O-N 3.38Å; M74-L77 HydrophobicContact SD-CD1 4.05Å; M74-S78 WeakPolarHBondContact O-CB 3.47Å; M74-S78 PolarHBondContact O-N 3.37Å; M74-T85 HydrophobicContact CE-CG2 3.95Å; M74-C89 HydrophobicContact CE-CB 4.29Å; M74-R95 HydrophobicContact CG-CG 4.3Å; M74-R95 HydrophobicContact SD-CG 4.46Å; M74-F99 HydrophobicContact CB-CD2 4.44Å; M74-F99 HydrophobicContact CB-CE2 3.71Å; M74-F99 HydrophobicContact CB-CZ 3.94Å; M74-F99 HydrophobicContact CG-CD2 4.23Å; M74-F99 HydrophobicContact CG-CE2 3.94Å; M74-F99 VanDerWaalsContact O-CZ 3.25Å; M74-F99 WeakPolarHBondContact O-CZ 3.45Å; M74-F99 HydrophobicContact SD-CD2 3.65Å; M74-F99 HydrophobicContact SD-CE2 3.93Å; M74-F99 HydrophobicContact SD-CG 4.14Å; M74-F324 HydrophobicContact CE-CB 3.83Å; M74-F324 HydrophobicContact CE-CD1 4.39Å; M74-F324 HydrophobicContact CE-CD2 3.98Å; M74-F324 HydrophobicContact CE-CG 3.81Å; M74-F324 HydrophobicContact SD-CB 4.15Å; M74-F324 HydrophobicContact SD-CD1 4.14Å; M74-F324 HydrophobicContact SD-CG 4.11Å |
| 75 | G | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W70 T71 S72 L73 L77 S78 R79 | W70-G75 WeakPolarHBondContact O-CA 3.44Å; T71-G75 PolarHBondContact O-N 3.14Å; S72-G75 WeakPolarHBondContact O-CA 3.26Å; S72-G75 PolarHBondContact O-N 2.86Å; S72-G75 VanDerWaalsContact O-N 3.11Å; L73-G75 PolarHBondContact O-N 3.46Å; G75-L77 VanDerWaalsContact C-N 3.33Å; G75-L77 PolarHBondContact O-N 3.19Å; G75-S78 PolarHBondContact O-N 3.49Å; G75-R79 VanDerWaalsContact C-NH1 3.34Å; G75-R79 WeakPolarHBondContact O-CG 3.36Å; G75-R79 PolarHBondContact O-N 3.5Å; G75-R79 PolarHBondContact O-NH1 2.81Å |
| 76 | M | 97.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 177.6 | -62.5 | 172.6 | 77.5 | 0 | 0 | 111.7 | V53 S55 S72 L73 R79 N80 E81 I82 | V53-M76 HydrophobicContact CB-CE 4.02Å; V53-M76 HydrophobicContact CG1-CE 3.46Å; V53-M76 VanDerWaalsContact CG1-CE 3.46Å; S55-M76 VanDerWaalsContact CB-SD 3.53Å; S55-M76 PolarHBondContact OG-SD 3.28Å; S55-M76 VanDerWaalsContact OG-SD 3.42Å; S72-M76 WeakPolarHBondContact O-CG 3.28Å; S72-M76 PolarHBondContact O-N 3.23Å; L73-M76 HydrophobicContact CD2-SD 4.01Å; L73-M76 WeakPolarHBondContact O-CB 3.41Å; L73-M76 PolarHBondContact O-N 3.49Å; L73-M76 VanDerWaalsContact O-N 3.16Å; M76-R79 PolarHBondContact O-N 2.93Å; M76-N80 PolarHBondContact O-N 2.68Å; M76-E81 WeakPolarHBondContact CA-OE2 3.45Å; M76-E81 HydrophobicContact CB-CB 4.11Å; M76-E81 VanDerWaalsContact CG-OE2 3.24Å; M76-E81 WeakPolarHBondContact CG-OE2 3.4Å; M76-E81 PolarHBondContact O-N 3.46Å; M76-I82 HydrophobicContact CB-CD1 3.67Å; M76-I82 HydrophobicContact CB-CG1 3.75Å; M76-I82 HydrophobicContact CB-CG2 4.35Å; M76-I82 HydrophobicContact CE-CG2 3.75Å |
| 77 | L | 97.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 171.5 | -76.3 | 173.8 | 0 | 0 | 0 | 111.2 | L73 M74 G75 R79 N80 I82 T85 F99 F324 R326 | L73-L77 PolarHBondContact O-N 2.86Å; M74-L77 HydrophobicContact CE-CD1 4.45Å; M74-L77 PolarHBondContact O-N 3.38Å; M74-L77 HydrophobicContact SD-CD1 4.05Å; G75-L77 VanDerWaalsContact C-N 3.33Å; G75-L77 PolarHBondContact O-N 3.19Å; L77-R79 VanDerWaalsContact C-N 3.25Å; L77-R79 PolarHBondContact O-N 2.98Å; L77-N80 PolarHBondContact O-N 3.02Å; L77-N80 VanDerWaalsContact O-N 3.1Å; L77-I82 HydrophobicContact CD2-CD1 4.2Å; L77-I82 HydrophobicContact CD2-CG1 3.8Å; L77-I82 HydrophobicContact CG-CD1 4.01Å; L77-I82 HydrophobicContact CG-CG1 3.98Å; L77-T85 HydrophobicContact CD1-CG2 3.8Å; L77-T85 HydrophobicContact CG-CG2 4.36Å; L77-F99 HydrophobicContact CB-CD1 3.89Å; L77-F99 HydrophobicContact CB-CE1 3.72Å; L77-F99 HydrophobicContact CD1-CD1 4.08Å; L77-F99 HydrophobicContact CD1-CG 4.41Å; L77-F324 HydrophobicContact CD1-CB 3.82Å; L77-R326 HydrophobicContact CB-CG 4.3Å; L77-R326 HydrophobicContact CD2-CG 3.79Å; L77-R326 VanDerWaalsContact O-CD 3.26Å; L77-R326 WeakPolarHBondContact O-CD 3Å; L77-R326 WeakPolarHBondContact O-CG 3.41Å |
| 78 | S | 95.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 25.5 Ų | 25.5 | 44% | 0.441 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.6 | -33.2 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | M74 G75 N80 | M74-S78 WeakPolarHBondContact O-CB 3.47Å; M74-S78 PolarHBondContact O-N 3.37Å; G75-S78 PolarHBondContact O-N 3.49Å; S78-N80 VanDerWaalsContact C-N 3.34Å |
| 79 | R | 95.4 | Very high | 95.4 | Very high | 133 Ų | 133 | 21.6 Ų | 21.6 | 50% | 0.502 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 6.6 | 178.2 | -65 | -173.3 | -55.9 | -82.6 | -8.2 | 113.8 | G75 M76 L77 E81 | G75-R79 VanDerWaalsContact C-NH1 3.34Å; G75-R79 WeakPolarHBondContact O-CG 3.36Å; G75-R79 PolarHBondContact O-N 3.5Å; G75-R79 PolarHBondContact O-NH1 2.81Å; M76-R79 PolarHBondContact O-N 2.93Å; L77-R79 VanDerWaalsContact C-N 3.25Å; L77-R79 PolarHBondContact O-N 2.98Å; R79-E81 HydrophobicContact CB-CG 4.06Å; R79-E81 IonicContact CZ-OE1 3.67Å; R79-E81 IonicContact CZ-OE2 3.66Å; R79-E81 IonicContact NE-OE1 3.42Å; R79-E81 PolarHBondContact NE-OE1 3.08Å; R79-E81 IonicContact NE-OE2 2.94Å; R79-E81 IonicContact NH2-OE1 3.77Å; R79-E81 PolarHBondContact NH2-OE1 3.08Å; R79-E81 IonicContact NH2-OE2 3.74Å; R79-E81 PolarHBondContact NH2-OE2 3.5Å; R79-E81 PolarHBondContact O-N 3.33Å |
| 80 | N | 95.5 | Very high | 95.4 | Very high | 76 Ų | 76 | 21.6 Ų | 21.6 | 41% | 0.406 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 32 | -178.1 | -169.8 | 24.2 | 0 | 0 | 0 | 114 | R7 M76 L77 S78 R326 | R7-N80 PolarHBondContact NH1-O 3Å; R7-N80 PolarHBondContact NH2-O 3.03Å; R7-N80 PolarHBondContact NH2-OD1 2.81Å; M76-N80 PolarHBondContact O-N 2.68Å; L77-N80 PolarHBondContact O-N 3.02Å; L77-N80 VanDerWaalsContact O-N 3.1Å; S78-N80 VanDerWaalsContact C-N 3.34Å; N80-R326 PolarHBondContact OD1-NE 2.83Å; N80-R326 VanDerWaalsContact OD1-NE 3.11Å; N80-R326 PolarHBondContact OD1-NH1 3.03Å; N80-R326 PolarHBondContact OD1-NH2 3.29Å |
| 81 | E | 96.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 23.3 Ų | 23.3 | 36% | 0.36 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -81.3 | -30 | 175.9 | -67.3 | 166.5 | -174.6 | 0 | 0 | 111 | R7 M76 R79 | R7-E81 PolarHBondContact NH1-O 3.16Å; M76-E81 WeakPolarHBondContact CA-OE2 3.45Å; M76-E81 HydrophobicContact CB-CB 4.11Å; M76-E81 VanDerWaalsContact CG-OE2 3.24Å; M76-E81 WeakPolarHBondContact CG-OE2 3.4Å; M76-E81 PolarHBondContact O-N 3.46Å; R79-E81 HydrophobicContact CB-CG 4.06Å; R79-E81 IonicContact CZ-OE1 3.67Å; R79-E81 IonicContact CZ-OE2 3.66Å; R79-E81 IonicContact NE-OE1 3.42Å; R79-E81 PolarHBondContact NE-OE1 3.08Å; R79-E81 IonicContact NE-OE2 2.94Å; R79-E81 IonicContact NH2-OE1 3.77Å; R79-E81 PolarHBondContact NH2-OE1 3.08Å; R79-E81 IonicContact NH2-OE2 3.74Å; R79-E81 PolarHBondContact NH2-OE2 3.5Å; R79-E81 PolarHBondContact O-N 3.33Å |
| 82 | I | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -133.2 | 158 | -179.7 | 62.8 | 177.6 | 0 | 0 | 0 | 110.6 | V53 L73 M76 L77 | V53-I82 HydrophobicContact CB-CG2 3.64Å; V53-I82 HydrophobicContact CG1-CG2 4.13Å; V53-I82 HydrophobicContact CG2-CG2 3.93Å; L73-I82 HydrophobicContact CD2-CD1 4.34Å; M76-I82 HydrophobicContact CB-CD1 3.67Å; M76-I82 HydrophobicContact CB-CG1 3.75Å; M76-I82 HydrophobicContact CB-CG2 4.35Å; M76-I82 HydrophobicContact CE-CG2 3.75Å; L77-I82 HydrophobicContact CD2-CD1 4.2Å; L77-I82 HydrophobicContact CD2-CG1 3.8Å; L77-I82 HydrophobicContact CG-CD1 4.01Å; L77-I82 HydrophobicContact CG-CG1 3.98Å | ||
| 83 | D | 96.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -96.6 | -38 | 177.1 | -60.8 | -54.5 | 0 | 0 | 0 | 111.6 | I6 R7 W325 R326 F329 | I6-D83 HydrophobicContact CG2-CB 4.18Å; R7-D83 WeakPolarHBondContact CB-OD2 3.49Å; R7-D83 WeakPolarHBondContact CG-OD2 3.48Å; R7-D83 IonicContact CZ-OD1 3.61Å; R7-D83 IonicContact CZ-OD2 2.97Å; R7-D83 PolarHBondContact N-OD2 2.94Å; R7-D83 IonicContact NE-OD1 3.6Å; R7-D83 IonicContact NE-OD2 3.49Å; R7-D83 PolarHBondContact NE-OD2 2.78Å; R7-D83 IonicContact NH2-OD1 2.78Å; R7-D83 PolarHBondContact NH2-OD1 2.83Å; R7-D83 IonicContact NH2-OD2 3.53Å; R7-D83 PolarHBondContact O-N 3.36Å; D83-W325 WeakPolarHBondContact O-CA 3.48Å; D83-W325 VanDerWaalsContact O-CB 3.22Å; D83-W325 WeakPolarHBondContact O-CB 3.43Å; D83-R326 IonicContact OD1-NE 3.51Å; D83-R326 IonicContact OD1-NH2 3.46Å; D83-R326 PolarHBondContact OD1-NH2 2.99Å; D83-F329 HydrophobicContact CB-CD2 4Å; D83-F329 HydrophobicContact CB-CE2 3.86Å |
| 84 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.8 | -176.9 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | I6 R7 V8 G9 F324 W325 F329 L335 | I6-V84 HydrophobicContact CG2-CB 4.3Å; I6-V84 HydrophobicContact CG2-CG2 3.86Å; R7-V84 PolarHBondContact O-N 3.34Å; V8-V84 WeakPolarHBondContact CA-O 2.96Å; G9-V84 PolarHBondContact N-O 3.43Å; V84-F324 CarbonylContact C-O 3.57Å; V84-F324 WeakPolarHBondContact CA-O 3.24Å; V84-W325 HydrophobicContact CG1-CE3 4.27Å; V84-W325 HydrophobicContact CG2-CB 4.24Å; V84-F329 HydrophobicContact CG2-CD1 4.21Å; V84-F329 HydrophobicContact CG2-CE1 3.66Å; V84-F329 HydrophobicContact CG2-CE2 4.4Å; V84-F329 HydrophobicContact CG2-CZ 3.76Å; V84-L335 HydrophobicContact CG1-CD2 4.21Å; V84-L335 HydrophobicContact CG2-CD2 3.9Å |
| 85 | T | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.6 | 168.9 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | L73 M74 L77 N87 Y323 F324 | L73-T85 HydrophobicContact CB-CG2 4.01Å; L73-T85 HydrophobicContact CD1-CG2 4.45Å; M74-T85 HydrophobicContact CE-CG2 3.95Å; L77-T85 HydrophobicContact CD1-CG2 3.8Å; L77-T85 HydrophobicContact CG-CG2 4.36Å; T85-N87 VanDerWaalsContact CB-O 3.26Å; T85-N87 WeakPolarHBondContact CB-O 3.36Å; T85-N87 PolarHBondContact OG1-O 3.34Å; T85-Y323 WeakPolarHBondContact O-CD1 3.49Å; T85-F324 HydrophobicContact CG2-CB 3.92Å; T85-F324 PolarHBondContact N-O 2.86Å; T85-F324 PolarHBondContact OG1-N 2.81Å |
| 86 | G | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -82.3 | -31.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G9 M16 Y323 | G9-G86 WeakPolarHBondContact O-CA 3.35Å; G9-G86 PolarHBondContact O-N 2.74Å; M16-G86 VanDerWaalsContact CE-C 3.48Å; M16-G86 WeakPolarHBondContact CE-O 3.28Å; G86-Y323 WeakPolarHBondContact O-CE1 3.38Å |
| 87 | N | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.1 | 140.1 | 168.4 | -55.5 | 58.4 | 0 | 0 | 0 | 109.5 | V10 S11 W13 M16 E35 L73 T85 | V10-N87 WeakPolarHBondContact CA-OD1 3.47Å; S11-N87 PolarHBondContact N-OD1 3.44Å; S11-N87 PolarHBondContact O-ND2 3Å; W13-N87 HydrophobicContact CE3-CB 4.45Å; W13-N87 VanDerWaalsContact CE3-ND2 3.31Å; W13-N87 HydrophobicContact CH2-CB 4.1Å; W13-N87 HydrophobicContact CZ2-CB 4.47Å; W13-N87 HydrophobicContact CZ3-CB 4.08Å; M16-N87 HydrophobicContact CE-CB 4.38Å; M16-N87 HydrophobicContact SD-CB 4Å; M16-N87 PolarHBondContact SD-ND2 3.36Å; M16-N87 PolarHBondContact SD-OD1 2.93Å; M16-N87 VanDerWaalsContact SD-OD1 3.37Å; E35-N87 WeakPolarHBondContact OE2-CA 3.41Å; L73-N87 HydrophobicContact CD1-CB 3.56Å; L73-N87 WeakPolarHBondContact CD1-OD1 3.44Å; T85-N87 VanDerWaalsContact CB-O 3.26Å; T85-N87 WeakPolarHBondContact CB-O 3.36Å; T85-N87 PolarHBondContact OG1-O 3.34Å |
| 88 | I | 94.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -79.7 | 144.5 | 163.7 | 71.3 | -170.8 | 0 | 0 | 0 | 109.2 | W13 E35 V105 W106 N321 S322 Y323 | W13-I88 WeakPolarHBondContact CH2-O 3.33Å; E35-I88 HydrophobicContact CB-CG2 4.37Å; E35-I88 HydrophobicContact CG-CD1 3.94Å; E35-I88 HydrophobicContact CG-CG1 4.03Å; E35-I88 HydrophobicContact CG-CG2 4.12Å; E35-I88 PolarHBondContact OE2-N 2.85Å; I88-V105 HydrophobicContact CG2-CB 4.39Å; I88-V105 HydrophobicContact CG2-CG2 4.11Å; I88-W106 HydrophobicContact CD1-CD2 3.97Å; I88-W106 HydrophobicContact CD1-CH2 3.66Å; I88-W106 HydrophobicContact CD1-CZ2 2.94Å; I88-W106 HydrophobicContact CD1-CZ3 4.42Å; I88-W106 VanDerWaalsContact CD1-NE1 3.29Å; I88-W106 HydrophobicContact CG1-CZ2 4.31Å; I88-N321 HydrophobicContact CB-CB 4.29Å; I88-N321 HydrophobicContact CD1-CB 3.63Å; I88-N321 HydrophobicContact CG1-CB 3.96Å; I88-S322 WeakPolarHBondContact CA-O 3.25Å; I88-Y323 HydrophobicContact CG2-CD1 3.79Å; I88-Y323 HydrophobicContact CG2-CD2 4.42Å; I88-Y323 HydrophobicContact CG2-CE1 3.47Å; I88-Y323 VanDerWaalsContact CG2-CE1 3.47Å; I88-Y323 HydrophobicContact CG2-CE2 4.11Å; I88-Y323 HydrophobicContact CG2-CG 4.27Å | ||
| 89 | C | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.4 | -177.2 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | C60 M74 S322 F324 | C60-C89 HydrophobicContact CB-CB 3.68Å; C60-C89 WeakPolarHBondContact CB-SG 3.34Å; C60-C89 WeakPolarHBondContact SG-CA 3.42Å; C60-C89 WeakPolarHBondContact SG-CB 3.26Å; C60-C89 CovalentContact SG-SG 2.02Å; C60-C89 PolarHBondContact SG-SG 3.38Å; M74-C89 HydrophobicContact CE-CB 4.29Å; C89-S322 PolarHBondContact N-O 2.92Å; C89-S322 PolarHBondContact O-N 3.4Å; C89-F324 HydrophobicContact CB-CD2 3.69Å; C89-F324 HydrophobicContact CB-CE2 3.55Å |
| 90 | Y | 92.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.2 | 175.2 | -43.5 | -67.9 | 0 | 0 | 0 | 110.6 | M92 R95 F248 T292 Q319 M320 N321 | Y90-M92 HydrophobicContact CD2-CE 4.18Å; Y90-M92 PolarHBondContact O-N 2.89Å; Y90-R95 PolarHBondContact O-NH1 3.2Å; Y90-F248 HydrophobicContact CD1-CZ 4.36Å; Y90-F248 AromaticContact CD2-CE2 3.82Å; Y90-F248 HydrophobicContact CD2-CE2 3.82Å; Y90-F248 AromaticContact CD2-CZ 3.71Å; Y90-F248 HydrophobicContact CD2-CZ 3.71Å; Y90-F248 HydrophobicContact CE2-CE2 4.36Å; Y90-F248 HydrophobicContact CG-CE1 4.5Å; Y90-F248 HydrophobicContact CG-CE2 4.13Å; Y90-F248 AromaticContact CG-CZ 3.59Å; Y90-F248 HydrophobicContact CG-CZ 3.59Å; Y90-T292 HydrophobicContact CE1-CG2 3.57Å; Y90-T292 VanDerWaalsContact CZ-CG2 3.47Å; Y90-T292 WeakPolarHBondContact OH-CG2 3.38Å; Y90-Q319 HydrophobicContact CD1-CB 3.8Å; Y90-Q319 HydrophobicContact CD1-CG 4.34Å; Y90-Q319 HydrophobicContact CE1-CB 4.24Å; Y90-M320 WeakPolarHBondContact CA-O 3.26Å; Y90-N321 WeakPolarHBondContact CD1-OD1 3.43Å; Y90-N321 WeakPolarHBondContact CE1-OD1 3.43Å |
| 91 | L | 92.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | trans | -64.9 | 122.4 | 168.2 | -64.3 | -175.1 | 0 | 0 | 0 | 109.8 | L96 A101 P104 M320 F324 | L91-L96 HydrophobicContact CD2-CD2 4.09Å; L91-A101 HydrophobicContact CD2-CB 3.56Å; L91-P104 HydrophobicContact CD1-CG 4.35Å; L91-M320 HydrophobicContact CB-CB 4.38Å; L91-M320 HydrophobicContact CD1-CB 3.8Å; L91-M320 HydrophobicContact CD1-SD 4.23Å; L91-M320 HydrophobicContact CG-CB 4.09Å; L91-M320 PolarHBondContact N-O 3.49Å; L91-F324 HydrophobicContact CD2-CE1 4.44Å; L91-F324 HydrophobicContact CD2-CE2 4.22Å; L91-F324 HydrophobicContact CD2-CZ 3.74Å | ||
| 92 | M | 89.7 | Confident | 94.4 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | trans | -132.7 | 142.3 | 175.1 | -67.5 | 170.4 | -175.1 | 0 | 0 | 107.7 | Y90 E94 R95 L96 E247 F248 | Y90-M92 HydrophobicContact CD2-CE 4.18Å; Y90-M92 PolarHBondContact O-N 2.89Å; M92-E94 PolarHBondContact O-N 3.31Å; M92-R95 HydrophobicContact CB-CB 4.42Å; M92-R95 HydrophobicContact CB-CG 4.26Å; M92-R95 PolarHBondContact O-N 3.43Å; M92-R95 PolarHBondContact SD-NH1 3.06Å; M92-R95 VanDerWaalsContact SD-NH1 3.42Å; M92-L96 WeakPolarHBondContact O-CG 3.3Å; M92-L96 PolarHBondContact O-N 3.38Å; M92-E247 HydrophobicContact CE-CB 4.31Å; M92-E247 WeakPolarHBondContact CE-OE2 3.29Å; M92-E247 VanDerWaalsContact SD-OE2 3.4Å; M92-F248 HydrophobicContact CE-CE2 3.95Å; M92-F248 HydrophobicContact CE-CZ 3.6Å | ||
| 93 | E | 89.8 | Confident | 94.3 | Very high | 177 Ų | 177 | 40.4 Ų | 40.4 | 83% | 0.827 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -54.5 | -44 | 179.1 | -173.5 | 174.4 | -173 | 0 | 0 | 111.5 | R95 L96 S97 | E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.2Å; E93-L96 PolarHBondContact O-N 3.49Å; E93-S97 PolarHBondContact O-N 2.95Å |
| 94 | E | 90.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62 | -33.6 | 178.1 | -162.9 | -175 | -158.2 | 0 | 0 | 113.3 | S63 W70 M92 S97 | S63-E94 WeakPolarHBondContact CB-OE1 3.42Å; S63-E94 WeakPolarHBondContact CB-OE2 3.34Å; S63-E94 PolarHBondContact OG-OE1 2.85Å; W70-E94 HydrophobicContact CH2-CB 4.18Å; W70-E94 HydrophobicContact CH2-CG 3.69Å; W70-E94 WeakPolarHBondContact CH2-O 3.37Å; W70-E94 HydrophobicContact CZ2-CG 3.94Å; W70-E94 WeakPolarHBondContact CZ2-O 3.4Å; M92-E94 PolarHBondContact O-N 3.31Å; E94-S97 PolarHBondContact O-OG 3.35Å |
| 95 | R | 93.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.4 | -37.9 | 176.3 | -67.8 | -179.5 | -179.7 | 142.7 | 7.8 | 111.3 | G61 W70 M74 Y90 M92 E93 S97 M98 F99 F324 | G61-R95 PolarHBondContact O-NH2 3.04Å; W70-R95 HydrophobicContact CH2-CB 4.47Å; W70-R95 HydrophobicContact CH2-CG 3.81Å; W70-R95 HydrophobicContact CZ3-CG 3.79Å; M74-R95 HydrophobicContact CG-CG 4.3Å; M74-R95 HydrophobicContact SD-CG 4.46Å; Y90-R95 PolarHBondContact O-NH1 3.2Å; M92-R95 HydrophobicContact CB-CB 4.42Å; M92-R95 HydrophobicContact CB-CG 4.26Å; M92-R95 PolarHBondContact O-N 3.43Å; M92-R95 PolarHBondContact SD-NH1 3.06Å; M92-R95 VanDerWaalsContact SD-NH1 3.42Å; E93-R95 VanDerWaalsContact C-N 3.3Å; E93-R95 PolarHBondContact O-N 3.2Å; R95-S97 VanDerWaalsContact C-N 3.26Å; R95-S97 PolarHBondContact O-N 3.01Å; R95-M98 PolarHBondContact O-N 3.46Å; R95-F99 WeakPolarHBondContact O-CB 3.33Å; R95-F99 WeakPolarHBondContact O-CD2 3.29Å; R95-F99 PolarHBondContact O-N 2.92Å; R95-F324 HydrophobicContact CB-CD1 4.44Å; R95-F324 HydrophobicContact CB-CE1 3.62Å; R95-F324 HydrophobicContact CB-CZ 4.06Å |
| 96 | L | 93.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 42 Ų | 42 | 45% | 0.445 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.4 | -22.8 | -179 | -72.5 | 175.2 | 0 | 0 | 0 | 113 | L91 M92 E93 M98 A101 F324 | L91-L96 HydrophobicContact CD2-CD2 4.09Å; M92-L96 WeakPolarHBondContact O-CG 3.3Å; M92-L96 PolarHBondContact O-N 3.38Å; E93-L96 PolarHBondContact O-N 3.49Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-A101 HydrophobicContact CD2-CB 3.73Å; L96-F324 HydrophobicContact CD2-CE1 4.42Å |
| 97 | S | 92.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 48 Ų | 48 | 57% | 0.573 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.9 | 174.6 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | E93 E94 R95 | E93-S97 PolarHBondContact O-N 2.95Å; E94-S97 PolarHBondContact O-OG 3.35Å; R95-S97 VanDerWaalsContact C-N 3.26Å; R95-S97 PolarHBondContact O-N 3.01Å |
| 98 | M | 93.2 | Very high | 93.7 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 41% | 0.414 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -25.4 | -174.4 | -66.6 | -63.8 | -73.8 | 0 | 0 | 114 | W70 R95 L96 L327 | W70-M98 HydrophobicContact CZ2-CG 4.32Å; R95-M98 PolarHBondContact O-N 3.46Å; L96-M98 VanDerWaalsContact C-N 3.3Å; M98-L327 WeakPolarHBondContact O-CD1 3.23Å |
| 99 | F | 96.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -129.3 | 150.9 | -172 | -52.8 | -70.9 | 0 | 0 | 0 | 111.7 | W70 M74 L77 R95 F324 | W70-F99 AromaticContact CD1-CZ 3.93Å; W70-F99 AromaticContact CD2-CE2 3.79Å; W70-F99 HydrophobicContact CD2-CE2 3.79Å; W70-F99 HydrophobicContact CD2-CZ 4.21Å; W70-F99 AromaticContact CE2-CE2 3.71Å; W70-F99 HydrophobicContact CE3-CE2 4.28Å; W70-F99 HydrophobicContact CG-CE2 4.08Å; W70-F99 AromaticContact CG-CZ 3.99Å; W70-F99 HydrophobicContact CG-CZ 3.99Å; W70-F99 HydrophobicContact CZ2-CE2 4.1Å; W70-F99 AromaticContact NE1-CE2 3.95Å; M74-F99 HydrophobicContact CB-CD2 4.44Å; M74-F99 HydrophobicContact CB-CE2 3.71Å; M74-F99 HydrophobicContact CB-CZ 3.94Å; M74-F99 HydrophobicContact CG-CD2 4.23Å; M74-F99 HydrophobicContact CG-CE2 3.94Å; M74-F99 VanDerWaalsContact O-CZ 3.25Å; M74-F99 WeakPolarHBondContact O-CZ 3.45Å; M74-F99 HydrophobicContact SD-CD2 3.65Å; M74-F99 HydrophobicContact SD-CE2 3.93Å; M74-F99 HydrophobicContact SD-CG 4.14Å; L77-F99 HydrophobicContact CB-CD1 3.89Å; L77-F99 HydrophobicContact CB-CE1 3.72Å; L77-F99 HydrophobicContact CD1-CD1 4.08Å; L77-F99 HydrophobicContact CD1-CG 4.41Å; R95-F99 WeakPolarHBondContact O-CB 3.33Å; R95-F99 WeakPolarHBondContact O-CD2 3.29Å; R95-F99 PolarHBondContact O-N 2.92Å; F99-F324 HydrophobicContact CB-CD1 3.95Å |
| 100 | G | 96.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 147.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F324 W325 | G100-F324 CarbonylContact O-C 3.47Å; G100-F324 VanDerWaalsContact O-CA 3.31Å; G100-F324 WeakPolarHBondContact O-CA 3.43Å; G100-W325 PolarHBondContact N-O 2.85Å; G100-W325 PolarHBondContact O-N 2.96Å |
| 101 | A | 97.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L91 L96 Y323 F324 W325 | L91-A101 HydrophobicContact CD2-CB 3.56Å; L96-A101 HydrophobicContact CD2-CB 3.73Å; A101-Y323 WeakPolarHBondContact CA-O 3.26Å; A101-F324 HydrophobicContact CB-CD1 4.04Å; A101-F324 HydrophobicContact CB-CE1 3.89Å; A101-F324 HydrophobicContact CB-CG 4.49Å; A101-F324 HydrophobicContact CB-CZ 4.21Å; A101-W325 VanDerWaalsContact O-CZ2 3.3Å; A101-W325 WeakPolarHBondContact O-CZ2 3.08Å |
| 102 | S | 97.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 160 | 166.1 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | S322 Y323 W325 D336 | S102-S322 VanDerWaalsContact O-CB 3.31Å; S102-S322 WeakPolarHBondContact O-CB 3.4Å; S102-S322 PolarHBondContact O-OG 2.79Å; S102-Y323 PolarHBondContact N-O 3.17Å; S102-Y323 PolarHBondContact OG-N 2.75Å; S102-Y323 PolarHBondContact OG-O 3.35Å; S102-W325 VanDerWaalsContact CB-CZ3 3.49Å; S102-W325 VanDerWaalsContact N-CH2 3.29Å; S102-D336 WeakPolarHBondContact CA-OD1 3.4Å; S102-D336 WeakPolarHBondContact CB-OD1 3.3Å |
| 103 | R | 95.7 | Very high | 94.2 | Very high | 147 Ų | 147 | 46 Ų | 46 | 56% | 0.555 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -53.1 | 141.5 | 159.1 | -72.1 | 171.3 | 176.8 | -167.4 | -1.2 | 109.3 | V105 D336 T340 | R103-V105 PolarHBondContact O-N 3.41Å; R103-D336 WeakPolarHBondContact CD-OD2 3.02Å; R103-D336 WeakPolarHBondContact CG-OD2 3.4Å; R103-D336 PolarHBondContact N-OD1 2.98Å; R103-D336 IonicContact NE-OD2 3.93Å; R103-T340 VanDerWaalsContact CD-OG1 3.25Å; R103-T340 WeakPolarHBondContact CD-OG1 3.49Å; R103-T340 PolarHBondContact NH1-OG1 2.86Å |
| 104 | P | 95.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 21% | 0.214 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 124.8 | -177 | -29.1 | 35.4 | 0 | 0 | 0 | 112.4 | L91 Y107 M320 N321 S322 | L91-P104 HydrophobicContact CD1-CG 4.35Å; P104-Y107 HydrophobicContact CB-CE1 4.1Å; P104-Y107 HydrophobicContact CB-CE2 4.41Å; P104-Y107 HydrophobicContact CG-CE1 4.25Å; P104-M320 HydrophobicContact CB-CB 4.26Å; P104-M320 HydrophobicContact CG-CB 3.99Å; P104-M320 HydrophobicContact CG-CG 4.4Å; P104-M320 HydrophobicContact CG-SD 4.1Å; P104-N321 CarbonylContact C-O 3.6Å; P104-N321 WeakPolarHBondContact CA-O 3.5Å; P104-S322 WeakPolarHBondContact CA-OG 3.44Å |
| 105 | V | 94.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -69 | -46 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | I38 I88 R103 N321 Y323 K346 | I38-V105 HydrophobicContact CD1-CG1 3.81Å; I38-V105 HydrophobicContact CG2-CG1 4.32Å; I88-V105 HydrophobicContact CG2-CB 4.39Å; I88-V105 HydrophobicContact CG2-CG2 4.11Å; R103-V105 PolarHBondContact O-N 3.41Å; V105-N321 PolarHBondContact N-O 3.38Å; V105-Y323 HydrophobicContact CG1-CE2 4.41Å; V105-Y323 HydrophobicContact CG2-CD2 3.54Å; V105-Y323 HydrophobicContact CG2-CE2 3.4Å; V105-Y323 VanDerWaalsContact CG2-CE2 3.4Å; V105-K346 HydrophobicContact CG1-CD 3.96Å; V105-K346 VanDerWaalsContact O-CD 3.26Å; V105-K346 WeakPolarHBondContact O-CD 3.2Å |
| 106 | W | 92.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 37 Ų | 37 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 166.9 | 169.4 | 57 | 64.6 | 0 | 0 | 0 | 111.6 | P34 E35 I38 I88 I294 N321 M347 L350 | P34-W106 HydrophobicContact CB-CH2 3.95Å; P34-W106 HydrophobicContact CB-CZ3 4.28Å; P34-W106 HydrophobicContact CG-CH2 4.1Å; E35-W106 HydrophobicContact CG-CH2 3.8Å; E35-W106 HydrophobicContact CG-CZ2 4.17Å; I38-W106 HydrophobicContact CD1-CE3 4.01Å; I38-W106 HydrophobicContact CD1-CZ3 3.49Å; I38-W106 VanDerWaalsContact CD1-CZ3 3.49Å; I88-W106 HydrophobicContact CD1-CD2 3.97Å; I88-W106 HydrophobicContact CD1-CH2 3.66Å; I88-W106 HydrophobicContact CD1-CZ2 2.94Å; I88-W106 HydrophobicContact CD1-CZ3 4.42Å; I88-W106 VanDerWaalsContact CD1-NE1 3.29Å; I88-W106 HydrophobicContact CG1-CZ2 4.31Å; W106-I294 HydrophobicContact CD2-CD1 4.5Å; W106-I294 HydrophobicContact CG-CD1 4.08Å; W106-N321 PolarHBondContact O-N 2.85Å; W106-M347 HydrophobicContact CB-SD 4.01Å; W106-L350 HydrophobicContact CD2-CD2 4.49Å; W106-L350 HydrophobicContact CE3-CD2 4.49Å; W106-L350 HydrophobicContact CH2-CD1 4.23Å; W106-L350 HydrophobicContact CZ2-CD1 4.44Å; W106-L350 HydrophobicContact CZ3-CD1 4.45Å |
| 107 | Y | 92.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 35.4 Ų | 35.4 | 49% | 0.494 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.9 | 174 | -57 | -89.2 | 0 | 0 | 0 | 109.2 | P104 L318 Q319 M320 | P104-Y107 HydrophobicContact CB-CE1 4.1Å; P104-Y107 HydrophobicContact CB-CE2 4.41Å; P104-Y107 HydrophobicContact CG-CE1 4.25Å; Y107-L318 HydrophobicContact CD1-CD2 3.8Å; Y107-L318 HydrophobicContact CD1-CG 4.1Å; Y107-L318 HydrophobicContact CG-CD2 4.32Å; Y107-Q319 WeakPolarHBondContact CA-O 3.14Å; Y107-M320 HydrophobicContact CD1-CB 4.48Å; Y107-M320 HydrophobicContact CD1-CG 3.82Å; Y107-M320 HydrophobicContact CE1-CB 4.45Å; Y107-M320 HydrophobicContact CE1-CE 4.14Å; Y107-M320 HydrophobicContact CE1-CG 3.7Å; Y107-M320 HydrophobicContact CE1-SD 4.01Å |
| 108 | S | 92.1 | Very high | 94 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.2 | 176.1 | -161.7 | 0 | 0 | 0 | 0 | 109 | T292 I294 Q319 | S108-T292 VanDerWaalsContact OG-CB 3.25Å; S108-T292 WeakPolarHBondContact OG-CB 3.35Å; S108-T292 PolarHBondContact OG-OG1 2.89Å; S108-I294 WeakPolarHBondContact OG-CG1 3.46Å; S108-I294 PolarHBondContact OG-N 2.85Å; S108-Q319 PolarHBondContact N-O 2.95Å; S108-Q319 WeakPolarHBondContact O-CA 3.34Å; S108-Q319 WeakPolarHBondContact O-CB 3.44Å; S108-Q319 PolarHBondContact O-N 3.35Å |
| 109 | Y | 93 | Very high | 93.3 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 26% | 0.255 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 151.6 | 171.1 | -72 | -91.3 | 0 | 0 | 0 | 109.6 | T292 E293 R313 D314 L318 | Y109-T292 CarbonylContact O-C 3.59Å; Y109-T292 WeakPolarHBondContact O-CA 3.32Å; Y109-E293 PolarHBondContact O-N 3.38Å; Y109-R313 HydrophobicContact CG-CG 4.32Å; Y109-R313 PolarHBondContact OH-NH2 2.73Å; Y109-D314 WeakPolarHBondContact CD1-O 2.9Å; Y109-L318 HydrophobicContact CD1-CD1 4.18Å; Y109-L318 HydrophobicContact CD2-CD1 3.96Å; Y109-L318 HydrophobicContact CE1-CB 4.32Å; Y109-L318 HydrophobicContact CE1-CD1 3.84Å; Y109-L318 HydrophobicContact CE2-CD1 3.56Å; Y109-L318 HydrophobicContact CG-CD1 4.25Å |
| 110 | Q | 93.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 143.8 | 161.1 | 179.4 | 166 | -85.4 | 0 | 0 | 109 | F112 F248 I290 D314 F317 | Q110-F112 HydrophobicContact CG-CE1 3.99Å; Q110-F112 HydrophobicContact CG-CZ 4.27Å; Q110-F248 PolarHBondContact NE2-O 3.24Å; Q110-F248 PolarHBondContact OE1-O 3.31Å; Q110-I290 HydrophobicContact CG-CG2 4.08Å; Q110-D314 HydrophobicContact CB-CB 4.02Å; Q110-D314 HydrophobicContact CG-CB 4.3Å; Q110-D314 PolarHBondContact NE2-OD2 2.83Å; Q110-D314 VanDerWaalsContact NE2-OD2 3.17Å; Q110-D314 WeakPolarHBondContact O-CA 3.31Å; Q110-D314 WeakPolarHBondContact O-CB 2.91Å; Q110-D314 PolarHBondContact O-N 3.43Å; Q110-F317 PolarHBondContact N-O 3.08Å |
| 111 | A | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 161.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | S291 E293 L296 L311 I312 | A111-S291 PolarHBondContact N-O 2.88Å; A111-S291 PolarHBondContact O-N 2.96Å; A111-S291 VanDerWaalsContact O-N 3.08Å; A111-E293 HydrophobicContact CB-CB 4.01Å; A111-L296 HydrophobicContact CB-CD1 3.86Å; A111-L296 WeakPolarHBondContact O-CD1 3.45Å; A111-L311 HydrophobicContact CB-CD1 3.94Å; A111-I312 CarbonylContact C-O 3.52Å; A111-I312 VanDerWaalsContact CA-O 3.3Å; A111-I312 WeakPolarHBondContact CA-O 3.31Å |
| 112 | F | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.8 | -175.2 | -41.9 | -64.9 | 0 | 0 | 0 | 109.1 | Q110 F218 I221 L224 V288 L289 I290 L311 I312 D314 | Q110-F112 HydrophobicContact CG-CE1 3.99Å; Q110-F112 HydrophobicContact CG-CZ 4.27Å; F112-F218 HydrophobicContact CB-CE2 3.82Å; F112-F218 HydrophobicContact CB-CZ 4.1Å; F112-F218 HydrophobicContact CD2-CD2 4.16Å; F112-F218 AromaticContact CD2-CE2 3.52Å; F112-F218 HydrophobicContact CD2-CE2 3.52Å; F112-F218 HydrophobicContact CE2-CE2 4.23Å; F112-F218 AromaticContact CG-CE2 3.73Å; F112-F218 HydrophobicContact CG-CE2 3.73Å; F112-F218 HydrophobicContact CG-CZ 4.42Å; F112-I221 HydrophobicContact CE1-CD1 3.79Å; F112-I221 HydrophobicContact CZ-CB 3.93Å; F112-I221 HydrophobicContact CZ-CD1 3.95Å; F112-L224 HydrophobicContact CD1-CD2 3.61Å; F112-L224 HydrophobicContact CE1-CD2 3.67Å; F112-L224 HydrophobicContact CG-CD2 4.13Å; F112-L224 HydrophobicContact CZ-CD2 4.22Å; F112-V288 HydrophobicContact CB-CG1 4.01Å; F112-L289 CarbonylContact C-O 3.54Å; F112-L289 WeakPolarHBondContact CA-O 3.29Å; F112-I290 HydrophobicContact CD1-CB 4.37Å; F112-I290 HydrophobicContact CD1-CG1 3.91Å; F112-I290 HydrophobicContact CD1-CG2 4.1Å; F112-I290 HydrophobicContact CE1-CD1 4.44Å; F112-I290 HydrophobicContact CE1-CG1 4.26Å; F112-I290 HydrophobicContact CE1-CG2 4Å; F112-L311 WeakPolarHBondContact O-CA 3.4Å; F112-I312 HydrophobicContact CB-CB 4.26Å; F112-I312 HydrophobicContact CD2-CB 4.19Å; F112-I312 HydrophobicContact CD2-CG2 3.98Å; F112-I312 WeakPolarHBondContact CD2-O 3.49Å; F112-I312 PolarHBondContact N-O 3.18Å; F112-I312 PolarHBondContact O-N 2.77Å; F112-D314 HydrophobicContact CE2-CB 3.66Å; F112-D314 HydrophobicContact CZ-CB 3.76Å |
| 113 | L | 96.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.7 | 173.4 | -158.7 | 69.4 | 0 | 0 | 0 | 109.7 | L278 L281 L289 L296 L300 L309 W310 L311 | L113-L278 HydrophobicContact CD2-CD2 3.14Å; L113-L281 HydrophobicContact CB-CD1 3.98Å; L113-L281 HydrophobicContact CD2-CD1 3.77Å; L113-L281 HydrophobicContact CG-CD1 3.88Å; L113-L289 HydrophobicContact CB-CB 4.23Å; L113-L289 PolarHBondContact N-O 2.87Å; L113-L289 PolarHBondContact O-N 2.98Å; L113-L296 HydrophobicContact CB-CD1 4.11Å; L113-L296 HydrophobicContact CB-CD2 4.15Å; L113-L296 HydrophobicContact CD2-CD2 4.31Å; L113-L300 HydrophobicContact CD1-CD1 3.86Å; L113-L300 HydrophobicContact CD1-CD2 4.11Å; L113-L300 HydrophobicContact CD1-CG 4.25Å; L113-L300 HydrophobicContact CD2-CD2 4.21Å; L113-L300 HydrophobicContact CD2-CG 4.46Å; L113-L309 HydrophobicContact CD1-CB 4.15Å; L113-L309 HydrophobicContact CD2-CD1 4.3Å; L113-L309 HydrophobicContact CG-CB 4.35Å; L113-W310 WeakPolarHBondContact CA-O 3.34Å; L113-W310 WeakPolarHBondContact CD1-O 3.39Å; L113-L311 HydrophobicContact CD1-CB 4.03Å; L113-L311 HydrophobicContact CD1-CD1 4.16Å |
| 114 | I | 96.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 169.4 | 177 | 64.8 | 171.2 | 0 | 0 | 0 | 109.7 | P217 F218 Y233 V288 L309 W310 I312 | I114-P217 HydrophobicContact CD1-CG 3.65Å; I114-F218 HydrophobicContact CG2-CE1 4.21Å; I114-F218 HydrophobicContact CG2-CZ 3.93Å; I114-Y233 HydrophobicContact CG2-CE1 4.47Å; I114-V288 HydrophobicContact CG2-CB 4.08Å; I114-V288 HydrophobicContact CG2-CG1 3.86Å; I114-V288 HydrophobicContact CG2-CG2 3.68Å; I114-L309 CarbonylContact O-C 3.51Å; I114-L309 WeakPolarHBondContact O-CA 3.24Å; I114-W310 HydrophobicContact CD1-CB 4.37Å; I114-W310 HydrophobicContact CD1-CE3 4.42Å; I114-W310 HydrophobicContact CG1-CB 3.69Å; I114-W310 PolarHBondContact N-O 3.4Å; I114-W310 VanDerWaalsContact N-O 3.09Å; I114-W310 PolarHBondContact O-N 3.11Å; I114-I312 HydrophobicContact CD1-CD1 3.7Å; I114-I312 HydrophobicContact CG1-CD1 4.1Å |
| 115 | K | 95.7 | Very high | 86 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 137.2 | 164.9 | -164.7 | -176.6 | 177.2 | 163.9 | 0 | 110.2 | L117 L281 I282 N285 | K115-L117 PolarHBondContact O-N 3Å; K115-L281 WeakPolarHBondContact CB-O 3.38Å; K115-I282 WeakPolarHBondContact CD-O 3.32Å; K115-I282 VanDerWaalsContact CE-O 3.27Å; K115-I282 WeakPolarHBondContact CE-O 3.19Å; K115-I282 PolarHBondContact NZ-O 3.31Å; K115-N285 WeakPolarHBondContact CD-OD1 3.43Å; K115-N285 WeakPolarHBondContact CE-OD1 3.39Å; K115-N285 PolarHBondContact NZ-OD1 2.71Å |
| 116 | K | 92.5 | Very high | 85.5 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 129.4 | 166.4 | -74.5 | -172.9 | -171.3 | 162.8 | 0 | 108.6 | D307 K308 L309 W310 V367 | K116-D307 WeakPolarHBondContact CD-O 3.48Å; K116-D307 VanDerWaalsContact CE-O 3.25Å; K116-D307 WeakPolarHBondContact CE-O 3.49Å; K116-D307 PolarHBondContact NZ-O 2.79Å; K116-K308 WeakPolarHBondContact CB-O 3.47Å; K116-K308 PolarHBondContact N-O 2.99Å; K116-L309 WeakPolarHBondContact CE-O 3.39Å; K116-W310 HydrophobicContact CG-CB 3.74Å; K116-W310 HydrophobicContact CG-CD2 4.43Å; K116-W310 HydrophobicContact CG-CG 4.16Å; K116-V367 HydrophobicContact CB-CG2 4.26Å; K116-V367 HydrophobicContact CD-CG1 4.37Å; K116-V367 HydrophobicContact CD-CG2 3.74Å; K116-V367 HydrophobicContact CG-CG2 3.9Å |
| 117 | L | 87.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 130.8 | 173.6 | -63.4 | 175.1 | 0 | 0 | 0 | 108.9 | K115 V214 | K115-L117 PolarHBondContact O-N 3Å; L117-V214 HydrophobicContact CB-CG1 3.8Å; L117-V214 HydrophobicContact CD1-CG1 3.87Å; L117-V214 HydrophobicContact CG-CG1 4.47Å |
| 118 | D | 82.4 | Confident | 84.7 | Confident | 137 Ų | 137 | 49.5 Ų | 49.5 | 73% | 0.733 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 126.5 | 175 | -68.4 | -49 | 0 | 0 | 0 | 109.1 | ||
| 119 | P | 78.6 | Confident | 84.6 | Confident | 30 Ų | 30 | 50 Ų | 50 | 20% | 0.195 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 140.4 | 175.9 | 25.2 | -31.1 | 0 | 0 | 0 | 110.3 | S121 A212 V214 A369 | P119-S121 PolarHBondContact O-N 3.26Å; P119-A212 HydrophobicContact CB-CB 3.83Å; P119-V214 HydrophobicContact CB-CG2 4Å; P119-A369 HydrophobicContact CB-CB 4.1Å; P119-A369 HydrophobicContact CG-CB 3.58Å |
| 120 | P | 71.6 | Confident | 84.6 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.9 | -178.3 | 24.4 | -33.8 | 0 | 0 | 0 | 109.6 | I122 A212 | P120-I122 PolarHBondContact O-N 3.48Å; P120-I122 VanDerWaalsContact O-N 3.17Å; P120-A212 HydrophobicContact CG-CB 4.39Å; P120-A212 VanDerWaalsContact O-CB 3.22Å; P120-A212 WeakPolarHBondContact O-CB 3.18Å |
| 121 | S | 66.3 | Low | 84.5 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 75% | 0.748 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -62.1 | -23.7 | -178.2 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | P119 | P119-S121 PolarHBondContact O-N 3.26Š|
| 122 | I | 65.9 | Low | 84.4 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | trans | -133.7 | 120.3 | -176.4 | -57.4 | 165.8 | 0 | 0 | 0 | 109.4 | P120 D380 | P120-I122 PolarHBondContact O-N 3.48Å; P120-I122 VanDerWaalsContact O-N 3.17Å; I122-D380 HydrophobicContact CD1-CB 4.06Å | ||
| 123 | R | 65.7 | Low | 84.5 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 33% | 0.328 | 35% | 0.347 | S | S | . | . | trans | -87.4 | -33.7 | 171.7 | -85.5 | -173.1 | 153.1 | 161.4 | 10 | 113.6 | K125 Y210 P211 A212 | R123-K125 PolarHBondContact O-N 2.89Å; R123-Y210 PolarHBondContact NH1-O 3.17Å; R123-P211 VanDerWaalsContact CZ-C 3.48Å; R123-P211 PolarHBondContact NH1-O 2.72Å; R123-P211 PolarHBondContact NH2-O 3.4Å; R123-A212 HydrophobicContact CG-CB 4.03Å | ||
| 124 | F | 76.5 | Confident | 84.4 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | trans | -71.5 | 111.4 | -166.5 | -178.2 | -104.1 | 0 | 0 | 0 | 110.7 | A126 Y203 V204 L208 L385 | F124-A126 HydrophobicContact CE1-CB 4.08Å; F124-A126 HydrophobicContact CZ-CB 3.95Å; F124-Y203 HydrophobicContact CD2-CE1 4.02Å; F124-Y203 HydrophobicContact CE2-CD1 4.44Å; F124-Y203 AromaticContact CE2-CE1 3.93Å; F124-Y203 HydrophobicContact CE2-CE1 3.93Å; F124-V204 HydrophobicContact CE2-CB 4.25Å; F124-V204 HydrophobicContact CE2-CG1 4.24Å; F124-V204 HydrophobicContact CE2-CG2 3.63Å; F124-V204 HydrophobicContact CZ-CG2 4.24Å; F124-L208 HydrophobicContact CB-CD2 4.03Å; F124-L208 HydrophobicContact CG-CD2 4.49Å; F124-L385 HydrophobicContact CD1-CD1 4.43Å; F124-L385 HydrophobicContact CE1-CD1 3.52Å; F124-L385 HydrophobicContact CE1-CD2 4.32Å; F124-L385 HydrophobicContact CE1-CG 3.85Å; F124-L385 HydrophobicContact CZ-CD1 4.18Å | ||
| 125 | K | 81.5 | Confident | 84.3 | Confident | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 37% | 0.372 | S | S | * | . | trans | -120.1 | 114.1 | 167.9 | -67.7 | -178.2 | -178.8 | -178.5 | 0 | 106.3 | R123 Q127 A128 Y203 | R123-K125 PolarHBondContact O-N 2.89Å; K125-Q127 PolarHBondContact O-N 3.29Å; K125-A128 HydrophobicContact CB-CB 3.75Å; K125-A128 WeakPolarHBondContact O-CB 3.28Å; K125-A128 PolarHBondContact O-N 2.88Å; K125-Y203 PolarHBondContact O-OH 2.85Å | ||
| 126 | A | 82.9 | Confident | 84.3 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F124 P129 Y200 L385 | F124-A126 HydrophobicContact CE1-CB 4.08Å; F124-A126 HydrophobicContact CZ-CB 3.95Å; A126-P129 WeakPolarHBondContact O-CD 3.45Å; A126-Y200 WeakPolarHBondContact CA-OH 3.36Å; A126-Y200 VanDerWaalsContact O-CE2 3.24Å; A126-Y200 WeakPolarHBondContact O-CE2 3.41Å; A126-Y200 PolarHBondContact O-OH 3.45Å; A126-L385 HydrophobicContact CB-CD2 3.62Å; A126-L385 HydrophobicContact CB-CG 4.42Å |
| 127 | Q | 84.6 | Confident | 84.4 | Confident | 127 Ų | 127 | 78.8 Ų | 78.8 | 59% | 0.593 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12 | -179 | -63.9 | 169.7 | -7.5 | 0 | 0 | 114 | K125 W135 | K125-Q127 PolarHBondContact O-N 3.29Å; Q127-W135 PolarHBondContact O-NE1 2.92Å |
| 128 | A | 85.6 | Confident | 84.6 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | K125 F130 Y203 | K125-A128 HydrophobicContact CB-CB 3.75Å; K125-A128 WeakPolarHBondContact O-CB 3.28Å; K125-A128 PolarHBondContact O-N 2.88Å; A128-F130 PolarHBondContact O-N 3.04Å; A128-Y203 HydrophobicContact CB-CE2 4.36Å; A128-Y203 WeakPolarHBondContact CB-OH 3.49Å |
| 129 | P | 89.2 | Confident | 85.1 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 7% | 0.071 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.3 | 178.6 | 2.8 | -3.7 | 0 | 0 | 0 | 113.9 | A126 Y199 Y200 Y203 | A126-P129 WeakPolarHBondContact O-CD 3.45Å; P129-Y199 HydrophobicContact CB-CE1 4.08Å; P129-Y199 WeakPolarHBondContact O-CE1 3.32Å; P129-Y200 HydrophobicContact CB-CD2 4.25Å; P129-Y200 HydrophobicContact CG-CD2 3.41Å; P129-Y200 VanDerWaalsContact CG-CD2 3.41Å; P129-Y200 HydrophobicContact CG-CE2 3.44Å; P129-Y200 VanDerWaalsContact CG-CE2 3.44Å; P129-Y200 HydrophobicContact CG-CG 4.32Å; P129-Y203 HydrophobicContact CB-CD1 3.85Å; P129-Y203 HydrophobicContact CB-CD2 4.1Å; P129-Y203 HydrophobicContact CB-CE1 4.48Å; P129-Y203 HydrophobicContact CB-CG 3.65Å; P129-Y203 HydrophobicContact CG-CD1 3.41Å; P129-Y203 VanDerWaalsContact CG-CD1 3.41Å; P129-Y203 HydrophobicContact CG-CD2 4.46Å; P129-Y203 HydrophobicContact CG-CE1 3.83Å; P129-Y203 HydrophobicContact CG-CG 3.79Å |
| 130 | F | 91.8 | Very high | 85.9 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -125.9 | 142.6 | -178.6 | -56.5 | -65.8 | 0 | 0 | 0 | 109.6 | A128 A134 W135 I138 L196 Y199 Y200 | A128-F130 PolarHBondContact O-N 3.04Å; F130-A134 HydrophobicContact CB-CB 3.92Å; F130-A134 HydrophobicContact CD1-CB 4.35Å; F130-A134 HydrophobicContact CG-CB 4.49Å; F130-W135 HydrophobicContact CB-CD2 4.18Å; F130-W135 HydrophobicContact CB-CG 4.17Å; F130-W135 HydrophobicContact CB-CZ2 4.46Å; F130-W135 HydrophobicContact CD2-CD2 4.29Å; F130-W135 AromaticContact CD2-CE2 3.88Å; F130-W135 HydrophobicContact CD2-CE3 4.45Å; F130-W135 AromaticContact CD2-CH2 3.85Å; F130-W135 HydrophobicContact CD2-CH2 3.85Å; F130-W135 AromaticContact CD2-CZ2 3.67Å; F130-W135 HydrophobicContact CD2-CZ2 3.67Å; F130-W135 HydrophobicContact CD2-CZ3 4.24Å; F130-W135 HydrophobicContact CE2-CH2 4.34Å; F130-W135 PolarHBondContact O-NE1 3.44Å; F130-I138 HydrophobicContact CD1-CD1 4.28Å; F130-I138 HydrophobicContact CD2-CD1 3.85Å; F130-I138 HydrophobicContact CE1-CD1 4.36Å; F130-I138 HydrophobicContact CE2-CD1 3.93Å; F130-I138 HydrophobicContact CG-CD1 4.03Å; F130-I138 HydrophobicContact CZ-CD1 4.2Å; F130-L196 HydrophobicContact CE1-CD2 3.87Å; F130-L196 HydrophobicContact CZ-CD2 3.66Å; F130-Y199 HydrophobicContact CD1-CD1 4.43Å; F130-Y199 HydrophobicContact CD1-CE1 4.12Å; F130-Y199 AromaticContact CE1-CD1 3.47Å; F130-Y199 HydrophobicContact CE1-CD1 3.47Å; F130-Y199 VanDerWaalsContact CE1-CD1 3.47Å; F130-Y199 AromaticContact CE1-CE1 3.56Å; F130-Y199 HydrophobicContact CE1-CE1 3.56Å; F130-Y199 AromaticContact CZ-CD1 3.52Å; F130-Y199 HydrophobicContact CZ-CD1 3.52Å; F130-Y199 HydrophobicContact CZ-CE1 4Å; F130-Y200 HydrophobicContact CE2-CD2 4.09Å |
| 131 | D | 92.9 | Very high | 86.8 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -71.2 | 168.5 | 169.6 | 73.3 | -21.8 | 0 | 0 | 0 | 110.4 | R133 A134 W135 | D131-R133 PolarHBondContact O-N 3.37Å; D131-A134 PolarHBondContact O-N 3.27Å; D131-A134 WeakPolarHBondContact OD1-CA 3.46Å; D131-A134 WeakPolarHBondContact OD1-CB 3.28Å; D131-A134 PolarHBondContact OD1-N 3.4Å; D131-W135 VanDerWaalsContact O-CD1 3.27Å; D131-W135 PolarHBondContact O-N 3.34Å | ||
| 132 | L | 92.8 | Very high | 88 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58 | -35.8 | -179.4 | -177.5 | 63.3 | 0 | 0 | 0 | 111.6 | W135 L136 | L132-W135 PolarHBondContact O-N 2.86Å; L132-L136 HydrophobicContact CG-CD1 4.43Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.86Å |
| 133 | R | 96.5 | Very high | 89.3 | Confident | 197 Ų | 197 | 71.7 Ų | 71.7 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 179.6 | -62 | 179 | 179.6 | -178.3 | 0.9 | 111.2 | D131 W135 L136 V137 | D131-R133 PolarHBondContact O-N 3.37Å; R133-W135 PolarHBondContact O-N 2.92Å; R133-L136 PolarHBondContact O-N 3.2Å; R133-V137 WeakPolarHBondContact O-CG2 3.18Å; R133-V137 PolarHBondContact O-N 3.03Å |
| 134 | A | 94.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 70 Ų | 70 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F130 D131 L136 V137 I138 | F130-A134 HydrophobicContact CB-CB 3.92Å; F130-A134 HydrophobicContact CD1-CB 4.35Å; F130-A134 HydrophobicContact CG-CB 4.49Å; D131-A134 PolarHBondContact O-N 3.27Å; D131-A134 WeakPolarHBondContact OD1-CA 3.46Å; D131-A134 WeakPolarHBondContact OD1-CB 3.28Å; D131-A134 PolarHBondContact OD1-N 3.4Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 2.8Å; A134-V137 PolarHBondContact O-N 3.49Å; A134-I138 VanDerWaalsContact O-CG1 3.26Å; A134-I138 WeakPolarHBondContact O-CG1 3.25Å; A134-I138 PolarHBondContact O-N 3.13Å |
| 135 | W | 94.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 27% | 0.265 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.3 | -81.2 | 117.6 | 0 | 0 | 0 | 112.5 | Q127 F130 D131 L132 R133 V137 I138 I139 Y200 | Q127-W135 PolarHBondContact O-NE1 2.92Å; F130-W135 HydrophobicContact CB-CD2 4.18Å; F130-W135 HydrophobicContact CB-CG 4.17Å; F130-W135 HydrophobicContact CB-CZ2 4.46Å; F130-W135 HydrophobicContact CD2-CD2 4.29Å; F130-W135 AromaticContact CD2-CE2 3.88Å; F130-W135 HydrophobicContact CD2-CE3 4.45Å; F130-W135 AromaticContact CD2-CH2 3.85Å; F130-W135 HydrophobicContact CD2-CH2 3.85Å; F130-W135 AromaticContact CD2-CZ2 3.67Å; F130-W135 HydrophobicContact CD2-CZ2 3.67Å; F130-W135 HydrophobicContact CD2-CZ3 4.24Å; F130-W135 HydrophobicContact CE2-CH2 4.34Å; F130-W135 PolarHBondContact O-NE1 3.44Å; D131-W135 VanDerWaalsContact O-CD1 3.27Å; D131-W135 PolarHBondContact O-N 3.34Å; L132-W135 PolarHBondContact O-N 2.86Å; R133-W135 PolarHBondContact O-N 2.92Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.42Å; W135-I138 HydrophobicContact CE3-CD1 4.24Å; W135-I138 PolarHBondContact O-N 3.44Å; W135-I139 VanDerWaalsContact O-CG1 3.29Å; W135-I139 WeakPolarHBondContact O-CG1 3.36Å; W135-I139 PolarHBondContact O-N 2.93Å; W135-Y200 HydrophobicContact CH2-CD2 4.46Å; W135-Y200 HydrophobicContact CH2-CE2 4.14Å; W135-Y200 HydrophobicContact CZ2-CE2 4.28Å |
| 136 | L | 95.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 64.2 Ų | 64.2 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 176.3 | -69.2 | 172.7 | 0 | 0 | 0 | 112.1 | L132 R133 A134 I139 G140 | L132-L136 HydrophobicContact CG-CD1 4.43Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.86Å; R133-L136 PolarHBondContact O-N 3.2Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 2.8Å; L136-I139 PolarHBondContact O-N 3.3Å; L136-G140 PolarHBondContact O-N 3.25Å |
| 137 | V | 95 | Very high | 92.1 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | R133 A134 W135 I139 G140 C141 | R133-V137 WeakPolarHBondContact O-CG2 3.18Å; R133-V137 PolarHBondContact O-N 3.03Å; A134-V137 PolarHBondContact O-N 3.49Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.42Å; V137-I139 PolarHBondContact O-N 2.89Å; V137-G140 PolarHBondContact O-N 3.04Å; V137-C141 PolarHBondContact O-N 2.91Å; V137-C141 PolarHBondContact O-SG 3.33Å; V137-C141 VanDerWaalsContact O-SG 3.34Å |
| 138 | I | 92.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 177.2 | -67.1 | 165.2 | 0 | 0 | 0 | 110.4 | F130 A134 W135 G140 C141 I142 L196 | F130-I138 HydrophobicContact CD1-CD1 4.28Å; F130-I138 HydrophobicContact CD2-CD1 3.85Å; F130-I138 HydrophobicContact CE1-CD1 4.36Å; F130-I138 HydrophobicContact CE2-CD1 3.93Å; F130-I138 HydrophobicContact CG-CD1 4.03Å; F130-I138 HydrophobicContact CZ-CD1 4.2Å; A134-I138 VanDerWaalsContact O-CG1 3.26Å; A134-I138 WeakPolarHBondContact O-CG1 3.25Å; A134-I138 PolarHBondContact O-N 3.13Å; W135-I138 HydrophobicContact CE3-CD1 4.24Å; W135-I138 PolarHBondContact O-N 3.44Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.49Å; I138-C141 PolarHBondContact O-N 3.41Å; I138-I142 HydrophobicContact CG2-CD1 4.04Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 3.01Å; I138-L196 HydrophobicContact CD1-CD1 4.22Å; I138-L196 HydrophobicContact CD1-CD2 4.11Å; I138-L196 HydrophobicContact CG1-CD1 3.92Å; I138-L196 HydrophobicContact CG1-CD2 4.43Å; I138-L196 HydrophobicContact CG2-CD1 4.32Å |
| 139 | I | 93.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.4 | -68.5 | 166 | 0 | 0 | 0 | 110.4 | W135 L136 V137 C141 I142 V143 | W135-I139 VanDerWaalsContact O-CG1 3.29Å; W135-I139 WeakPolarHBondContact O-CG1 3.36Å; W135-I139 PolarHBondContact O-N 2.93Å; L136-I139 PolarHBondContact O-N 3.3Å; V137-I139 PolarHBondContact O-N 2.89Å; I139-C141 VanDerWaalsContact C-N 3.35Å; I139-C141 PolarHBondContact O-N 2.93Å; I139-I142 PolarHBondContact O-N 3.18Å; I139-V143 HydrophobicContact CG2-CG2 4.36Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 2.94Å |
| 140 | G | 94.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L136 V137 I138 V143 A144 | L136-G140 PolarHBondContact O-N 3.25Å; V137-G140 PolarHBondContact O-N 3.04Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.49Å; G140-V143 PolarHBondContact O-N 3.48Å; G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 2.73Å |
| 141 | C | 91.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | V137 I138 I139 A144 C145 F192 | V137-C141 PolarHBondContact O-N 2.91Å; V137-C141 PolarHBondContact O-SG 3.33Å; V137-C141 VanDerWaalsContact O-SG 3.34Å; I138-C141 PolarHBondContact O-N 3.41Å; I139-C141 VanDerWaalsContact C-N 3.35Å; I139-C141 PolarHBondContact O-N 2.93Å; C141-A144 PolarHBondContact O-N 3.35Å; C141-C145 PolarHBondContact O-N 2.91Å; C141-C145 PolarHBondContact O-SG 3.26Å; C141-F192 HydrophobicContact CB-CE1 4.49Å |
| 142 | I | 91.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.3 | -66.3 | 166.4 | 0 | 0 | 0 | 110.5 | I138 I139 A144 C145 A146 T170 F174 F193 | I138-I142 HydrophobicContact CG2-CD1 4.04Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 3.01Å; I139-I142 PolarHBondContact O-N 3.18Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.42Å; I142-C145 PolarHBondContact O-N 3.4Å; I142-A146 PolarHBondContact O-N 2.9Å; I142-T170 HydrophobicContact CG2-CG2 4.09Å; I142-F174 HydrophobicContact CD1-CD2 4.05Å; I142-F174 HydrophobicContact CD1-CE2 3.75Å; I142-F174 HydrophobicContact CD1-CZ 4.02Å; I142-F174 HydrophobicContact CG1-CD2 4.16Å; I142-F174 HydrophobicContact CG1-CE2 4.24Å; I142-F193 HydrophobicContact CG1-CE1 3.77Å; I142-F193 HydrophobicContact CG1-CZ 3.81Å |
| 143 | V | 92.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -42 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I139 G140 C145 A146 V147 | I139-V143 HydrophobicContact CG2-CG2 4.36Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 2.94Å; G140-V143 PolarHBondContact O-N 3.48Å; V143-C145 PolarHBondContact O-N 2.98Å; V143-A146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG1-CG2 4.24Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.32Å; V143-V147 PolarHBondContact O-N 2.79Å |
| 144 | A | 91.3 | Very high | 92 | Very high | 53 Ų | 53 | 54 Ų | 54 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G140 C141 I142 A146 V147 V148 | G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 2.73Å; C141-A144 PolarHBondContact O-N 3.35Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.42Å; A144-A146 PolarHBondContact O-N 3.35Å; A144-V147 PolarHBondContact O-N 3.26Å; A144-V148 WeakPolarHBondContact O-CG2 3.31Å; A144-V148 PolarHBondContact O-N 3Å |
| 145 | C | 90 | Very high | 91.7 | Very high | 19 Ų | 19 | 58 Ų | 58 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 173.8 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | C141 I142 V143 V147 V148 E149 T170 W186 | C141-C145 PolarHBondContact O-N 2.91Å; C141-C145 PolarHBondContact O-SG 3.26Å; I142-C145 PolarHBondContact O-N 3.4Å; V143-C145 PolarHBondContact O-N 2.98Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 2.91Å; C145-V148 PolarHBondContact O-N 3.23Å; C145-E149 PolarHBondContact O-N 3.29Å; C145-E149 VanDerWaalsContact O-N 3.1Å; C145-T170 HydrophobicContact CB-CG2 3.84Å; C145-W186 HydrophobicContact CB-CH2 4.09Å; C145-W186 HydrophobicContact CB-CZ2 4.41Å |
| 146 | A | 91.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I142 V143 A144 A150 I167 T170 | I142-A146 PolarHBondContact O-N 2.9Å; V143-A146 PolarHBondContact O-N 3.43Å; A144-A146 PolarHBondContact O-N 3.35Å; A146-A150 VanDerWaalsContact O-CB 3.28Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 2.78Å; A146-I167 HydrophobicContact CB-CG1 4.17Å; A146-T170 VanDerWaalsContact CA-OG1 3.28Å; A146-T170 WeakPolarHBondContact CA-OG1 3.29Å; A146-T170 HydrophobicContact CB-CG2 4.25Å; A146-T170 PolarHBondContact N-OG1 3.36Å |
| 147 | V | 92.2 | Very high | 90.8 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V143 A144 C145 E149 A150 A151 | V143-V147 HydrophobicContact CG1-CG2 4.24Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.32Å; V143-V147 PolarHBondContact O-N 2.79Å; A144-V147 PolarHBondContact O-N 3.26Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 2.91Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 3.42Å; V147-A150 PolarHBondContact O-N 3.47Å; V147-A151 VanDerWaalsContact O-CB 3.3Å; V147-A151 WeakPolarHBondContact O-CB 3.39Å; V147-A151 PolarHBondContact O-N 2.97Å |
| 148 | V | 90.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111 | A144 C145 A151 K152 I185 | A144-V148 WeakPolarHBondContact O-CG2 3.31Å; A144-V148 PolarHBondContact O-N 3Å; C145-V148 PolarHBondContact O-N 3.23Å; V148-A151 PolarHBondContact O-N 3.44Å; V148-K152 WeakPolarHBondContact O-CG 3.26Å; V148-K152 PolarHBondContact O-N 3.21Å; V148-I185 HydrophobicContact CG1-CD1 4.36Å; V148-I185 HydrophobicContact CG2-CD1 4.26Å |
| 149 | E | 89.6 | Confident | 90.3 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 176.2 | -68.1 | -51.6 | 119.6 | 0 | 0 | 112.8 | C145 V147 A151 K152 E153 L169 W186 | C145-E149 PolarHBondContact O-N 3.29Å; C145-E149 VanDerWaalsContact O-N 3.1Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 3.42Å; E149-A151 VanDerWaalsContact C-N 3.25Å; E149-A151 PolarHBondContact O-N 2.97Å; E149-K152 PolarHBondContact O-N 2.95Å; E149-K152 IonicContact OE1-NZ 3.98Å; E149-K152 PolarHBondContact OE1-NZ 3.44Å; E149-K152 IonicContact OE2-NZ 2.59Å; E149-E153 PolarHBondContact O-N 3.21Å; E149-L169 HydrophobicContact CG-CD2 4.29Å; E149-W186 VanDerWaalsContact CD-NE1 3.32Å; E149-W186 HydrophobicContact CG-CZ2 3.51Å; E149-W186 PolarHBondContact OE1-NE1 3.35Å |
| 150 | A | 91.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.4 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A146 V147 L154 S162 I163 | A146-A150 VanDerWaalsContact O-CB 3.28Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 2.78Å; V147-A150 PolarHBondContact O-N 3.47Å; A150-L154 PolarHBondContact O-N 2.87Å; A150-L154 VanDerWaalsContact O-N 3.15Å; A150-S162 WeakPolarHBondContact O-CB 3.3Å; A150-I163 HydrophobicContact CB-CG1 4.18Å |
| 151 | A | 91.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V147 V148 E149 L154 | V147-A151 VanDerWaalsContact O-CB 3.3Å; V147-A151 WeakPolarHBondContact O-CB 3.39Å; V147-A151 PolarHBondContact O-N 2.97Å; V148-A151 PolarHBondContact O-N 3.44Å; E149-A151 VanDerWaalsContact C-N 3.25Å; E149-A151 PolarHBondContact O-N 2.97Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å |
| 152 | K | 88.9 | Confident | 89.9 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 37% | 0.365 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 177.6 | -70.9 | 172.6 | -169.8 | 162.9 | 0 | 113 | V148 E149 P155 E183 | V148-K152 WeakPolarHBondContact O-CG 3.26Å; V148-K152 PolarHBondContact O-N 3.21Å; E149-K152 PolarHBondContact O-N 2.95Å; E149-K152 IonicContact OE1-NZ 3.98Å; E149-K152 PolarHBondContact OE1-NZ 3.44Å; E149-K152 IonicContact OE2-NZ 2.59Å; K152-P155 WeakPolarHBondContact O-CD 3.13Å; K152-E183 WeakPolarHBondContact CE-OE1 3.34Å; K152-E183 IonicContact NZ-OE1 3.03Å; K152-E183 PolarHBondContact NZ-OE1 3.31Å; K152-E183 IonicContact NZ-OE2 2.8Å; K152-E183 PolarHBondContact NZ-OE2 3.42Å |
| 153 | E | 88.8 | Confident | 89.9 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 19% | 0.192 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -83.8 | -16.1 | -179.3 | -62.6 | -159.1 | 153.7 | 0 | 0 | 113.4 | E149 P155 E156 K157 S162 N165 | E149-E153 PolarHBondContact O-N 3.21Å; E153-P155 VanDerWaalsContact C-CD 3.47Å; E153-E156 PolarHBondContact O-N 3.36Å; E153-E156 VanDerWaalsContact O-N 3.08Å; E153-K157 HydrophobicContact CB-CD 4.27Å; E153-K157 PolarHBondContact O-N 2.91Å; E153-K157 IonicContact OE1-NZ 3.89Å; E153-K157 PolarHBondContact OE1-NZ 3.5Å; E153-K157 WeakPolarHBondContact OE2-CD 3.26Å; E153-K157 IonicContact OE2-NZ 3.92Å; E153-K157 PolarHBondContact OE2-NZ 3.44Å; E153-S162 PolarHBondContact O-OG 3.19Å; E153-S162 VanDerWaalsContact O-OG 3.05Å; E153-N165 WeakPolarHBondContact OE2-CB 3.41Å; E153-N165 PolarHBondContact OE2-ND2 3.04Å |
| 154 | L | 90.3 | Very high | 89.9 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -48.1 | -47.9 | -177.6 | -170 | 66.7 | 0 | 0 | 0 | 114.7 | A150 A151 E156 G158 A159 S162 | A150-L154 PolarHBondContact O-N 2.87Å; A150-L154 VanDerWaalsContact O-N 3.15Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å; L154-E156 VanDerWaalsContact C-N 3.29Å; L154-E156 PolarHBondContact O-N 3.12Å; L154-G158 PolarHBondContact O-N 3.14Å; L154-A159 HydrophobicContact CD1-CB 3.9Å; L154-S162 WeakPolarHBondContact CA-OG 3.25Å; L154-S162 PolarHBondContact N-OG 2.74Å |
| 155 | P | 88.2 | Confident | 89.8 | Confident | 115 Ų | 115 | 69 Ų | 69 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.7 | -26.5 | -178.3 | 24.1 | -33.8 | 0 | 0 | 0 | 113.9 | K152 E153 | K152-P155 WeakPolarHBondContact O-CD 3.13Å; E153-P155 VanDerWaalsContact C-CD 3.47Å |
| 156 | E | 87.8 | Confident | 89.9 | Confident | 164 Ų | 164 | 68.1 Ų | 68.1 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -98.6 | -40.6 | -173 | -65.9 | -175.3 | 172.1 | 0 | 0 | 113.2 | E153 L154 | E153-E156 PolarHBondContact O-N 3.36Å; E153-E156 VanDerWaalsContact O-N 3.08Å; L154-E156 VanDerWaalsContact C-N 3.29Å; L154-E156 PolarHBondContact O-N 3.12Å |
| 157 | K | 84.6 | Confident | 90 | Very high | 87 Ų | 87 | 72.1 Ų | 72.1 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -108.8 | -7.7 | -165.5 | -67.5 | -176.9 | -167.4 | 171.9 | 0 | 113.9 | E153 L161 | E153-K157 HydrophobicContact CB-CD 4.27Å; E153-K157 PolarHBondContact O-N 2.91Å; E153-K157 IonicContact OE1-NZ 3.89Å; E153-K157 PolarHBondContact OE1-NZ 3.5Å; E153-K157 WeakPolarHBondContact OE2-CD 3.26Å; E153-K157 IonicContact OE2-NZ 3.92Å; E153-K157 PolarHBondContact OE2-NZ 3.44Å; K157-L161 HydrophobicContact CB-CB 4.22Å; K157-L161 HydrophobicContact CB-CD2 3.98Å; K157-L161 HydrophobicContact CB-CG 4.19Å; K157-L161 HydrophobicContact CD-CD2 4.24Å; K157-L161 HydrophobicContact CD-CG 4.39Å; K157-L161 HydrophobicContact CG-CD2 4.31Å |
| 158 | G | 88.3 | Confident | 90 | Very high | 35 Ų | 35 | 70.4 Ų | 70.4 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | trans | 75.7 | 164.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L154 T160 S162 | L154-G158 PolarHBondContact O-N 3.14Å; G158-T160 PolarHBondContact O-N 2.86Å; G158-S162 VanDerWaalsContact O-CB 3.3Å; G158-S162 WeakPolarHBondContact O-CB 3.39Å; G158-S162 PolarHBondContact O-N 3.33Å; G158-S162 VanDerWaalsContact O-N 3.14Å; G158-S162 PolarHBondContact O-OG 2.94Å | ||
| 159 | A | 89.3 | Confident | 90 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L154 S162 I163 | L154-A159 HydrophobicContact CD1-CB 3.9Å; A159-S162 PolarHBondContact O-N 2.89Å; A159-I163 WeakPolarHBondContact O-CD1 3.33Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.38Å; A159-I163 PolarHBondContact O-N 3.47Å |
| 160 | T | 88.6 | Confident | 90.1 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.5 | -44.6 | -173.3 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | G158 R164 | G158-T160 PolarHBondContact O-N 2.86Å; T160-R164 WeakPolarHBondContact O-CB 3.48Å; T160-R164 PolarHBondContact O-N 3.25Å; T160-R164 VanDerWaalsContact O-N 3.14Å |
| 161 | L | 89.6 | Confident | 90 | Very high | 75 Ų | 75 | 75.7 Ų | 75.7 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | -179.9 | -173.1 | 57.3 | 0 | 0 | 0 | 110.9 | K157 R164 N165 | K157-L161 HydrophobicContact CB-CB 4.22Å; K157-L161 HydrophobicContact CB-CD2 3.98Å; K157-L161 HydrophobicContact CB-CG 4.19Å; K157-L161 HydrophobicContact CD-CD2 4.24Å; K157-L161 HydrophobicContact CD-CG 4.39Å; K157-L161 HydrophobicContact CG-CD2 4.31Å; L161-R164 PolarHBondContact O-N 3.03Å; L161-N165 WeakPolarHBondContact O-CB 3.44Å; L161-N165 PolarHBondContact O-N 3.24Å; L161-N165 PolarHBondContact O-ND2 2.92Å |
| 162 | S | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | A150 E153 L154 G158 A159 N165 G166 | A150-S162 WeakPolarHBondContact O-CB 3.3Å; E153-S162 PolarHBondContact O-OG 3.19Å; E153-S162 VanDerWaalsContact O-OG 3.05Å; L154-S162 WeakPolarHBondContact CA-OG 3.25Å; L154-S162 PolarHBondContact N-OG 2.74Å; G158-S162 VanDerWaalsContact O-CB 3.3Å; G158-S162 WeakPolarHBondContact O-CB 3.39Å; G158-S162 PolarHBondContact O-N 3.33Å; G158-S162 VanDerWaalsContact O-N 3.14Å; G158-S162 PolarHBondContact O-OG 2.94Å; A159-S162 PolarHBondContact O-N 2.89Å; S162-N165 PolarHBondContact O-N 2.91Å; S162-G166 PolarHBondContact O-N 3.16Å |
| 163 | I | 92 | Very high | 90 | Very high | 90 Ų | 90 | 72.7 Ų | 72.7 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.3 | -68.6 | 166.3 | 0 | 0 | 0 | 110.9 | A150 A159 N165 G166 I167 | A150-I163 HydrophobicContact CB-CG1 4.18Å; A159-I163 WeakPolarHBondContact O-CD1 3.33Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.38Å; A159-I163 PolarHBondContact O-N 3.47Å; I163-N165 PolarHBondContact O-N 3.03Å; I163-G166 PolarHBondContact O-N 3.4Å; I163-I167 HydrophobicContact CG2-CD1 3.68Å; I163-I167 HydrophobicContact CG2-CG1 4.39Å; I163-I167 WeakPolarHBondContact O-CB 3.36Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.45Å; I163-I167 PolarHBondContact O-N 2.99Å |
| 164 | R | 91.7 | Very high | 90 | Very high | 189 Ų | 189 | 73.4 Ų | 73.4 | 71% | 0.713 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.5 | -46.2 | 179.5 | -178.4 | -178.4 | 175.1 | -177.4 | 0.3 | 111.6 | T160 L161 S168 | T160-R164 WeakPolarHBondContact O-CB 3.48Å; T160-R164 PolarHBondContact O-N 3.25Å; T160-R164 VanDerWaalsContact O-N 3.14Å; L161-R164 PolarHBondContact O-N 3.03Å; R164-S168 VanDerWaalsContact O-CB 3.26Å; R164-S168 WeakPolarHBondContact O-CB 3.44Å; R164-S168 PolarHBondContact O-N 3.44Å |
| 165 | N | 91 | Very high | 89.8 | Confident | 46 Ų | 46 | 72 Ų | 72 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 179.3 | -69.5 | -12.3 | 0 | 0 | 0 | 111.3 | E153 L161 S162 I163 I167 S168 L169 | E153-N165 WeakPolarHBondContact OE2-CB 3.41Å; E153-N165 PolarHBondContact OE2-ND2 3.04Å; L161-N165 WeakPolarHBondContact O-CB 3.44Å; L161-N165 PolarHBondContact O-N 3.24Å; L161-N165 PolarHBondContact O-ND2 2.92Å; S162-N165 PolarHBondContact O-N 2.91Å; I163-N165 PolarHBondContact O-N 3.03Å; N165-I167 PolarHBondContact O-N 2.88Å; N165-S168 PolarHBondContact O-N 3.44Å; N165-L169 VanDerWaalsContact O-CB 3.26Å; N165-L169 WeakPolarHBondContact O-CB 3.45Å; N165-L169 PolarHBondContact O-N 3.34Å |
| 166 | G | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S162 I163 T170 | S162-G166 PolarHBondContact O-N 3.16Å; I163-G166 PolarHBondContact O-N 3.4Å; G166-T170 VanDerWaalsContact O-CB 3.23Å; G166-T170 WeakPolarHBondContact O-CB 3.49Å; G166-T170 PolarHBondContact O-N 2.98Å; G166-T170 PolarHBondContact O-OG1 3.28Å |
| 167 | I | 92.6 | Very high | 89.5 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.3 | -66.7 | 169.7 | 0 | 0 | 0 | 110.8 | A146 I163 N165 T170 W171 | A146-I167 HydrophobicContact CB-CG1 4.17Å; I163-I167 HydrophobicContact CG2-CD1 3.68Å; I163-I167 HydrophobicContact CG2-CG1 4.39Å; I163-I167 WeakPolarHBondContact O-CB 3.36Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.45Å; I163-I167 PolarHBondContact O-N 2.99Å; N165-I167 PolarHBondContact O-N 2.88Å; I167-T170 PolarHBondContact O-N 3.48Å; I167-W171 WeakPolarHBondContact O-CB 3.32Å; I167-W171 PolarHBondContact O-N 2.84Å |
| 168 | S | 92.3 | Very high | 89.5 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | -179 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | R164 N165 T170 W171 Q172 | R164-S168 VanDerWaalsContact O-CB 3.26Å; R164-S168 WeakPolarHBondContact O-CB 3.44Å; R164-S168 PolarHBondContact O-N 3.44Å; N165-S168 PolarHBondContact O-N 3.44Å; S168-T170 VanDerWaalsContact C-N 3.35Å; S168-W171 PolarHBondContact O-N 3.47Å; S168-Q172 WeakPolarHBondContact O-CB 3.46Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.38Å; S168-Q172 PolarHBondContact O-N 3.44Å; S168-Q172 PolarHBondContact OG-NE2 3.26Å |
| 169 | L | 90.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 178.6 | -178.2 | 62.3 | 0 | 0 | 0 | 110.9 | E149 N165 Q172 T173 P181 | E149-L169 HydrophobicContact CG-CD2 4.29Å; N165-L169 VanDerWaalsContact O-CB 3.26Å; N165-L169 WeakPolarHBondContact O-CB 3.45Å; N165-L169 PolarHBondContact O-N 3.34Å; L169-Q172 PolarHBondContact O-N 2.95Å; L169-T173 WeakPolarHBondContact O-CB 3.35Å; L169-T173 PolarHBondContact O-N 3.24Å; L169-T173 PolarHBondContact O-OG1 2.99Å; L169-P181 HydrophobicContact CD2-CG 4.01Å |
| 170 | T | 91.5 | Very high | 89 | Confident | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | I142 C145 A146 G166 I167 S168 T173 F174 W186 | I142-T170 HydrophobicContact CG2-CG2 4.09Å; C145-T170 HydrophobicContact CB-CG2 3.84Å; A146-T170 VanDerWaalsContact CA-OG1 3.28Å; A146-T170 WeakPolarHBondContact CA-OG1 3.29Å; A146-T170 HydrophobicContact CB-CG2 4.25Å; A146-T170 PolarHBondContact N-OG1 3.36Å; G166-T170 VanDerWaalsContact O-CB 3.23Å; G166-T170 WeakPolarHBondContact O-CB 3.49Å; G166-T170 PolarHBondContact O-N 2.98Å; G166-T170 PolarHBondContact O-OG1 3.28Å; I167-T170 PolarHBondContact O-N 3.48Å; S168-T170 VanDerWaalsContact C-N 3.35Å; T170-T173 PolarHBondContact O-N 2.89Å; T170-F174 VanDerWaalsContact O-CB 3.28Å; T170-F174 WeakPolarHBondContact O-CB 3.22Å; T170-F174 PolarHBondContact O-N 3.31Å; T170-W186 HydrophobicContact CG2-CH2 4.09Å |
| 171 | W | 90.6 | Very high | 88.7 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 53% | 0.527 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 176.6 | -179.2 | -103.1 | 0 | 0 | 0 | 112.4 | I167 S168 T173 F174 M175 | I167-W171 WeakPolarHBondContact O-CB 3.32Å; I167-W171 PolarHBondContact O-N 2.84Å; S168-W171 PolarHBondContact O-N 3.47Å; W171-T173 VanDerWaalsContact C-N 3.29Å; W171-T173 PolarHBondContact O-N 3.41Å; W171-F174 PolarHBondContact O-N 3.29Å; W171-M175 HydrophobicContact CD2-CG 4.32Å; W171-M175 HydrophobicContact CE3-CE 4.46Å; W171-M175 HydrophobicContact CH2-CE 3.23Å; W171-M175 HydrophobicContact CZ2-CE 3.29Å; W171-M175 HydrophobicContact CZ2-CG 4.2Å; W171-M175 HydrophobicContact CZ3-CE 3.85Å; W171-M175 WeakPolarHBondContact O-CB 3.3Å; W171-M175 WeakPolarHBondContact O-CG 3.42Å; W171-M175 PolarHBondContact O-N 3.44Å |
| 172 | Q | 91.2 | Very high | 88.4 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 178.5 | -72.2 | 176.1 | 13.7 | 0 | 0 | 111.9 | S168 L169 L176 F177 A178 | S168-Q172 WeakPolarHBondContact O-CB 3.46Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.38Å; S168-Q172 PolarHBondContact O-N 3.44Å; S168-Q172 PolarHBondContact OG-NE2 3.26Å; L169-Q172 PolarHBondContact O-N 2.95Å; Q172-L176 PolarHBondContact O-N 3.35Å; Q172-L176 VanDerWaalsContact O-N 3.13Å; Q172-F177 HydrophobicContact CB-CB 4.47Å; Q172-F177 PolarHBondContact O-N 2.93Å; Q172-A178 HydrophobicContact CB-CB 3.76Å; Q172-A178 PolarHBondContact O-N 3.46Å |
| 173 | T | 88.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.7 | -42.3 | 177.6 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | L169 T170 W171 M175 L176 P180 W186 T190 | L169-T173 WeakPolarHBondContact O-CB 3.35Å; L169-T173 PolarHBondContact O-N 3.24Å; L169-T173 PolarHBondContact O-OG1 2.99Å; T170-T173 PolarHBondContact O-N 2.89Å; W171-T173 VanDerWaalsContact C-N 3.29Å; W171-T173 PolarHBondContact O-N 3.41Å; T173-M175 VanDerWaalsContact C-N 3.33Å; T173-M175 PolarHBondContact O-N 3.33Å; T173-L176 PolarHBondContact O-N 2.94Å; T173-P180 HydrophobicContact CG2-CB 3.79Å; T173-W186 HydrophobicContact CG2-CE3 3.47Å; T173-W186 VanDerWaalsContact CG2-CE3 3.47Å; T173-W186 HydrophobicContact CG2-CH2 4.4Å; T173-W186 HydrophobicContact CG2-CZ3 3.37Å; T173-T190 HydrophobicContact CG2-CG2 3.6Å |
| 174 | F | 87.7 | Confident | 87.9 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 174.8 | 178 | -98.8 | 0 | 0 | 0 | 112.1 | I142 T170 W171 L176 F193 | I142-F174 HydrophobicContact CD1-CD2 4.05Å; I142-F174 HydrophobicContact CD1-CE2 3.75Å; I142-F174 HydrophobicContact CD1-CZ 4.02Å; I142-F174 HydrophobicContact CG1-CD2 4.16Å; I142-F174 HydrophobicContact CG1-CE2 4.24Å; T170-F174 VanDerWaalsContact O-CB 3.28Å; T170-F174 WeakPolarHBondContact O-CB 3.22Å; T170-F174 PolarHBondContact O-N 3.31Å; W171-F174 PolarHBondContact O-N 3.29Å; F174-L176 PolarHBondContact O-N 2.91Å; F174-F193 HydrophobicContact CD2-CB 4.2Å; F174-F193 AromaticContact CD2-CD1 3.44Å; F174-F193 HydrophobicContact CD2-CD1 3.44Å; F174-F193 VanDerWaalsContact CD2-CD1 3.44Å; F174-F193 HydrophobicContact CD2-CD2 4.06Å; F174-F193 AromaticContact CD2-CE1 3.7Å; F174-F193 HydrophobicContact CD2-CE1 3.7Å; F174-F193 HydrophobicContact CD2-CE2 4.3Å; F174-F193 AromaticContact CD2-CG 3.65Å; F174-F193 HydrophobicContact CD2-CG 3.65Å; F174-F193 HydrophobicContact CD2-CZ 4.13Å; F174-F193 HydrophobicContact CE2-CB 4.44Å; F174-F193 AromaticContact CE2-CD1 3.42Å; F174-F193 HydrophobicContact CE2-CD1 3.42Å; F174-F193 VanDerWaalsContact CE2-CD1 3.42Å; F174-F193 AromaticContact CE2-CE1 3.76Å; F174-F193 HydrophobicContact CE2-CE1 3.76Å; F174-F193 HydrophobicContact CE2-CG 4.01Å |
| 175 | M | 86.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 30% | 0.3 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.8 | 176.3 | -69.2 | -60.6 | 177.6 | 0 | 0 | 113.9 | W171 T173 F177 | W171-M175 HydrophobicContact CD2-CG 4.32Å; W171-M175 HydrophobicContact CE3-CE 4.46Å; W171-M175 HydrophobicContact CH2-CE 3.23Å; W171-M175 HydrophobicContact CZ2-CE 3.29Å; W171-M175 HydrophobicContact CZ2-CG 4.2Å; W171-M175 HydrophobicContact CZ3-CE 3.85Å; W171-M175 WeakPolarHBondContact O-CB 3.3Å; W171-M175 WeakPolarHBondContact O-CG 3.42Å; W171-M175 PolarHBondContact O-N 3.44Å; T173-M175 VanDerWaalsContact C-N 3.33Å; T173-M175 PolarHBondContact O-N 3.33Å; M175-F177 HydrophobicContact CB-CD1 4.26Å; M175-F177 HydrophobicContact CB-CD2 3.54Å; M175-F177 HydrophobicContact CB-CE1 4.26Å; M175-F177 HydrophobicContact CB-CE2 3.54Å; M175-F177 HydrophobicContact CB-CG 3.92Å; M175-F177 HydrophobicContact CB-CZ 3.92Å; M175-F177 HydrophobicContact CG-CD2 4.35Å; M175-F177 HydrophobicContact CG-CE2 4.02Å; M175-F177 HydrophobicContact CG-CZ 4.5Å; M175-F177 PolarHBondContact O-N 3.48Å |
| 176 | L | 84.5 | Confident | 87.5 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 28.6 | -174.4 | -55.9 | 169.6 | 0 | 0 | 0 | 113.3 | Q172 T173 F174 K197 | Q172-L176 PolarHBondContact O-N 3.35Å; Q172-L176 VanDerWaalsContact O-N 3.13Å; T173-L176 PolarHBondContact O-N 2.94Å; F174-L176 PolarHBondContact O-N 2.91Å; L176-K197 HydrophobicContact CD1-CD 4.27Å |
| 177 | F | 86 | Confident | 87.3 | Confident | 161 Ų | 161 | 80.3 Ų | 80.3 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -83.3 | -22 | 173.7 | -62.5 | -27.3 | 0 | 0 | 0 | 112.8 | Q172 M175 | Q172-F177 HydrophobicContact CB-CB 4.47Å; Q172-F177 PolarHBondContact O-N 2.93Å; M175-F177 HydrophobicContact CB-CD1 4.26Å; M175-F177 HydrophobicContact CB-CD2 3.54Å; M175-F177 HydrophobicContact CB-CE1 4.26Å; M175-F177 HydrophobicContact CB-CE2 3.54Å; M175-F177 HydrophobicContact CB-CG 3.92Å; M175-F177 HydrophobicContact CB-CZ 3.92Å; M175-F177 HydrophobicContact CG-CD2 4.35Å; M175-F177 HydrophobicContact CG-CE2 4.02Å; M175-F177 HydrophobicContact CG-CZ 4.5Å; M175-F177 PolarHBondContact O-N 3.48Å |
| 178 | A | 83.9 | Confident | 87.1 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -125.2 | 156.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q172 | Q172-A178 HydrophobicContact CB-CB 3.76Å; Q172-A178 PolarHBondContact O-N 3.46Å |
| 179 | R | 83 | Confident | 86.9 | Confident | 233 Ų | 233 | 80.7 Ų | 80.7 | 88% | 0.879 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 133.7 | 171.3 | -67.6 | -178.7 | -178.9 | 170.3 | 0.5 | 108.8 | ||
| 180 | P | 83.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -62 | 148.5 | 176.5 | 25.1 | -33.2 | 0 | 0 | 0 | 111.1 | T173 W186 T190 | T173-P180 HydrophobicContact CG2-CB 3.79Å; P180-W186 HydrophobicContact CB-CB 4.18Å; P180-T190 HydrophobicContact CB-CG2 3.55Å; P180-T190 HydrophobicContact CG-CG2 3.85Å |
| 181 | P | 83.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 147.5 | 165.2 | -24.4 | 33.9 | 0 | 0 | 0 | 111.1 | L169 E183 W186 | L169-P181 HydrophobicContact CD2-CG 4.01Å; P181-E183 HydrophobicContact CB-CG 4.49Å; P181-E183 PolarHBondContact O-N 3.01Å; P181-W186 HydrophobicContact CB-CB 4.47Å; P181-W186 HydrophobicContact CB-CG 3.96Å; P181-W186 HydrophobicContact CG-CD2 4.06Å; P181-W186 HydrophobicContact CG-CG 3.89Å; P181-W186 VanDerWaalsContact O-CB 3.3Å; P181-W186 WeakPolarHBondContact O-CB 3.47Å |
| 182 | K | 83.6 | Confident | 86.6 | Confident | 207 Ų | 207 | 83 Ų | 83 | 90% | 0.9 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -75.4 | 18.6 | -175.1 | -67.1 | -175.3 | 177.1 | -179.8 | 0 | 114.1 | ||
| 183 | E | 85.4 | Confident | 86.5 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -92.7 | 149.1 | -174.6 | -57.9 | 158.2 | 144.1 | 0 | 0 | 110.1 | K152 P181 I185 W186 I187 | K152-E183 WeakPolarHBondContact CE-OE1 3.34Å; K152-E183 IonicContact NZ-OE1 3.03Å; K152-E183 PolarHBondContact NZ-OE1 3.31Å; K152-E183 IonicContact NZ-OE2 2.8Å; K152-E183 PolarHBondContact NZ-OE2 3.42Å; P181-E183 HydrophobicContact CB-CG 4.49Å; P181-E183 PolarHBondContact O-N 3.01Å; E183-I185 HydrophobicContact CB-CG2 4.36Å; E183-I185 PolarHBondContact O-N 3.46Å; E183-W186 WeakPolarHBondContact O-CB 3.45Å; E183-W186 PolarHBondContact O-N 3.24Å; E183-I187 PolarHBondContact O-N 3.5Å; E183-I187 VanDerWaalsContact O-N 3.13Å |
| 184 | V | 86.3 | Confident | 86.6 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.8 | -39.4 | -174.8 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | W186 I187 F188 | V184-W186 VanDerWaalsContact C-N 3.27Å; V184-W186 PolarHBondContact O-N 3Å; V184-I187 PolarHBondContact O-N 3.05Å; V184-F188 HydrophobicContact CG1-CD2 3.61Å; V184-F188 HydrophobicContact CG1-CE2 3.36Å; V184-F188 VanDerWaalsContact O-CD2 3.25Å; V184-F188 WeakPolarHBondContact O-CD2 3.06Å; V184-F188 PolarHBondContact O-N 2.87Å; V184-F188 VanDerWaalsContact O-N 3.08Å |
| 185 | I | 86.2 | Confident | 86.9 | Confident | 80 Ų | 80 | 83.8 Ų | 83.8 | 41% | 0.41 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 178.3 | -162.1 | 168.6 | 0 | 0 | 0 | 112.4 | V148 E183 G189 | V148-I185 HydrophobicContact CG1-CD1 4.36Å; V148-I185 HydrophobicContact CG2-CD1 4.26Å; E183-I185 HydrophobicContact CB-CG2 4.36Å; E183-I185 PolarHBondContact O-N 3.46Å; I185-G189 PolarHBondContact O-N 2.85Å |
| 186 | W | 87.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 82.3 Ų | 82.3 | 1% | 0.011 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76.7 | -32.6 | 178.4 | -81.2 | 104.3 | 0 | 0 | 0 | 112.5 | C145 E149 T170 T173 P180 P181 E183 V184 G189 T190 | C145-W186 HydrophobicContact CB-CH2 4.09Å; C145-W186 HydrophobicContact CB-CZ2 4.41Å; E149-W186 VanDerWaalsContact CD-NE1 3.32Å; E149-W186 HydrophobicContact CG-CZ2 3.51Å; E149-W186 PolarHBondContact OE1-NE1 3.35Å; T170-W186 HydrophobicContact CG2-CH2 4.09Å; T173-W186 HydrophobicContact CG2-CE3 3.47Å; T173-W186 VanDerWaalsContact CG2-CE3 3.47Å; T173-W186 HydrophobicContact CG2-CH2 4.4Å; T173-W186 HydrophobicContact CG2-CZ3 3.37Å; P180-W186 HydrophobicContact CB-CB 4.18Å; P181-W186 HydrophobicContact CB-CB 4.47Å; P181-W186 HydrophobicContact CB-CG 3.96Å; P181-W186 HydrophobicContact CG-CD2 4.06Å; P181-W186 HydrophobicContact CG-CG 3.89Å; P181-W186 VanDerWaalsContact O-CB 3.3Å; P181-W186 WeakPolarHBondContact O-CB 3.47Å; E183-W186 WeakPolarHBondContact O-CB 3.45Å; E183-W186 PolarHBondContact O-N 3.24Å; V184-W186 VanDerWaalsContact C-N 3.27Å; V184-W186 PolarHBondContact O-N 3Å; W186-G189 PolarHBondContact O-N 2.82Å; W186-T190 HydrophobicContact CE3-CG2 4.48Å; W186-T190 VanDerWaalsContact O-CB 3.29Å; W186-T190 WeakPolarHBondContact O-CB 3.26Å; W186-T190 VanDerWaalsContact O-CG2 3.3Å; W186-T190 WeakPolarHBondContact O-CG2 3.4Å; W186-T190 PolarHBondContact O-N 3.03Å; W186-T190 PolarHBondContact O-OG1 3.45Å |
| 187 | I | 87.1 | Confident | 87.5 | Confident | 100 Ų | 100 | 83.5 Ų | 83.5 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 173.2 | -62 | 171.8 | 0 | 0 | 0 | 109.6 | E183 V184 T190 F191 | E183-I187 PolarHBondContact O-N 3.5Å; E183-I187 VanDerWaalsContact O-N 3.13Å; V184-I187 PolarHBondContact O-N 3.05Å; I187-T190 PolarHBondContact O-OG1 2.96Å; I187-T190 VanDerWaalsContact O-OG1 3.08Å; I187-F191 WeakPolarHBondContact O-CB 3.49Å; I187-F191 PolarHBondContact O-N 3.43Å; I187-F191 VanDerWaalsContact O-N 3.08Å |
| 188 | F | 89.4 | Confident | 87.9 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 176.5 | -73.2 | -64.5 | 0 | 0 | 0 | 112.6 | V184 F191 F192 | V184-F188 HydrophobicContact CG1-CD2 3.61Å; V184-F188 HydrophobicContact CG1-CE2 3.36Å; V184-F188 VanDerWaalsContact O-CD2 3.25Å; V184-F188 WeakPolarHBondContact O-CD2 3.06Å; V184-F188 PolarHBondContact O-N 2.87Å; V184-F188 VanDerWaalsContact O-N 3.08Å; F188-F191 PolarHBondContact O-N 2.82Å; F188-F192 WeakPolarHBondContact O-CB 3.26Å; F188-F192 PolarHBondContact O-N 3.33Å |
| 189 | G | 87.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 84.9 Ų | 84.9 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I185 W186 F192 F193 | I185-G189 PolarHBondContact O-N 2.85Å; W186-G189 PolarHBondContact O-N 2.82Å; G189-F192 WeakPolarHBondContact O-CB 3.38Å; G189-F192 PolarHBondContact O-N 3.19Å; G189-F193 WeakPolarHBondContact O-CD2 3.5Å; G189-F193 WeakPolarHBondContact O-CG 3.05Å; G189-F193 PolarHBondContact O-N 3.2Å |
| 190 | T | 87.3 | Confident | 88.8 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.3 | 50.2 | 0 | 0 | 0 | 0 | 113 | T173 P180 W186 I187 F193 T194 | T173-T190 HydrophobicContact CG2-CG2 3.6Å; P180-T190 HydrophobicContact CB-CG2 3.55Å; P180-T190 HydrophobicContact CG-CG2 3.85Å; W186-T190 HydrophobicContact CE3-CG2 4.48Å; W186-T190 VanDerWaalsContact O-CB 3.29Å; W186-T190 WeakPolarHBondContact O-CB 3.26Å; W186-T190 VanDerWaalsContact O-CG2 3.3Å; W186-T190 WeakPolarHBondContact O-CG2 3.4Å; W186-T190 PolarHBondContact O-N 3.03Å; W186-T190 PolarHBondContact O-OG1 3.45Å; I187-T190 PolarHBondContact O-OG1 2.96Å; I187-T190 VanDerWaalsContact O-OG1 3.08Å; T190-F193 PolarHBondContact O-N 3.15Å; T190-T194 VanDerWaalsContact O-CB 3.29Å; T190-T194 WeakPolarHBondContact O-CB 3.41Å; T190-T194 PolarHBondContact O-N 3.48Å; T190-T194 PolarHBondContact O-OG1 2.99Å |
| 191 | F | 89.9 | Confident | 89.3 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.4 | -48.5 | 172.1 | -178.8 | -103.2 | 0 | 0 | 0 | 111.1 | I187 F188 F193 T194 L195 | I187-F191 WeakPolarHBondContact O-CB 3.49Å; I187-F191 PolarHBondContact O-N 3.43Å; I187-F191 VanDerWaalsContact O-N 3.08Å; F188-F191 PolarHBondContact O-N 2.82Å; F191-F193 PolarHBondContact O-N 3.05Å; F191-T194 PolarHBondContact O-N 3.29Å; F191-L195 HydrophobicContact CD1-CD1 3.96Å; F191-L195 HydrophobicContact CE1-CD1 3.41Å; F191-L195 VanDerWaalsContact CE1-CD1 3.41Å; F191-L195 HydrophobicContact CE1-CG 4.19Å; F191-L195 HydrophobicContact CZ-CD1 3.77Å; F191-L195 HydrophobicContact CZ-CD2 4.42Å; F191-L195 HydrophobicContact CZ-CG 4.21Å; F191-L195 WeakPolarHBondContact O-CG 3.34Å; F191-L195 PolarHBondContact O-N 2.96Å |
| 192 | F | 90.7 | Very high | 89.7 | Confident | 79 Ų | 79 | 80 Ų | 80 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 176.5 | 175.2 | -104.6 | 0 | 0 | 0 | 112.5 | C141 F188 G189 T194 L195 L196 | C141-F192 HydrophobicContact CB-CE1 4.49Å; F188-F192 WeakPolarHBondContact O-CB 3.26Å; F188-F192 PolarHBondContact O-N 3.33Å; G189-F192 WeakPolarHBondContact O-CB 3.38Å; G189-F192 PolarHBondContact O-N 3.19Å; F192-T194 VanDerWaalsContact C-N 3.32Å; F192-T194 PolarHBondContact O-N 3Å; F192-L195 PolarHBondContact O-N 2.83Å; F192-L196 HydrophobicContact CD1-CD1 3.88Å; F192-L196 HydrophobicContact CE1-CD1 3.31Å; F192-L196 HydrophobicContact CE1-CG 4.2Å; F192-L196 HydrophobicContact CE2-CD1 4.32Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.57Å; F192-L196 HydrophobicContact CZ-CD2 4.42Å; F192-L196 HydrophobicContact CZ-CG 4.12Å; F192-L196 PolarHBondContact O-N 3.27Å |
| 193 | F | 88.9 | Confident | 90.1 | Very high | 14 Ų | 14 | 72.4 Ų | 72.4 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -32.7 | 179.1 | -65.8 | -51.6 | 0 | 0 | 0 | 112.9 | I142 F174 G189 T190 F191 L196 K197 | I142-F193 HydrophobicContact CG1-CE1 3.77Å; I142-F193 HydrophobicContact CG1-CZ 3.81Å; F174-F193 HydrophobicContact CD2-CB 4.2Å; F174-F193 AromaticContact CD2-CD1 3.44Å; F174-F193 HydrophobicContact CD2-CD1 3.44Å; F174-F193 VanDerWaalsContact CD2-CD1 3.44Å; F174-F193 HydrophobicContact CD2-CD2 4.06Å; F174-F193 AromaticContact CD2-CE1 3.7Å; F174-F193 HydrophobicContact CD2-CE1 3.7Å; F174-F193 HydrophobicContact CD2-CE2 4.3Å; F174-F193 AromaticContact CD2-CG 3.65Å; F174-F193 HydrophobicContact CD2-CG 3.65Å; F174-F193 HydrophobicContact CD2-CZ 4.13Å; F174-F193 HydrophobicContact CE2-CB 4.44Å; F174-F193 AromaticContact CE2-CD1 3.42Å; F174-F193 HydrophobicContact CE2-CD1 3.42Å; F174-F193 VanDerWaalsContact CE2-CD1 3.42Å; F174-F193 AromaticContact CE2-CE1 3.76Å; F174-F193 HydrophobicContact CE2-CE1 3.76Å; F174-F193 HydrophobicContact CE2-CG 4.01Å; G189-F193 WeakPolarHBondContact O-CD2 3.5Å; G189-F193 WeakPolarHBondContact O-CG 3.05Å; G189-F193 PolarHBondContact O-N 3.2Å; T190-F193 PolarHBondContact O-N 3.15Å; F191-F193 PolarHBondContact O-N 3.05Å; F193-L196 HydrophobicContact CD1-CD1 4.11Å; F193-L196 PolarHBondContact O-N 3.24Å; F193-K197 WeakPolarHBondContact O-CB 3.25Å; F193-K197 PolarHBondContact O-N 3.31Å |
| 194 | T | 90.6 | Very high | 90.3 | Very high | 54 Ų | 54 | 70.8 Ų | 70.8 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | T190 F191 F192 K197 I198 | T190-T194 VanDerWaalsContact O-CB 3.29Å; T190-T194 WeakPolarHBondContact O-CB 3.41Å; T190-T194 PolarHBondContact O-N 3.48Å; T190-T194 PolarHBondContact O-OG1 2.99Å; F191-T194 PolarHBondContact O-N 3.29Å; F192-T194 VanDerWaalsContact C-N 3.32Å; F192-T194 PolarHBondContact O-N 3Å; T194-K197 PolarHBondContact O-N 3.43Å; T194-I198 HydrophobicContact CG2-CD1 4.05Å; T194-I198 VanDerWaalsContact O-CG1 3.31Å; T194-I198 WeakPolarHBondContact O-CG1 3.46Å; T194-I198 PolarHBondContact O-N 2.96Å |
| 195 | L | 93 | Very high | 90.3 | Very high | 87 Ų | 87 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.5 | -71.5 | 177.6 | 0 | 0 | 0 | 112.2 | F191 F192 K197 I198 Y199 | F191-L195 HydrophobicContact CD1-CD1 3.96Å; F191-L195 HydrophobicContact CE1-CD1 3.41Å; F191-L195 VanDerWaalsContact CE1-CD1 3.41Å; F191-L195 HydrophobicContact CE1-CG 4.19Å; F191-L195 HydrophobicContact CZ-CD1 3.77Å; F191-L195 HydrophobicContact CZ-CD2 4.42Å; F191-L195 HydrophobicContact CZ-CG 4.21Å; F191-L195 WeakPolarHBondContact O-CG 3.34Å; F191-L195 PolarHBondContact O-N 2.96Å; F192-L195 PolarHBondContact O-N 2.83Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 3.05Å; L195-Y199 WeakPolarHBondContact O-CB 3.49Å; L195-Y199 PolarHBondContact O-N 3.32Å |
| 196 | L | 92.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 68.9 Ų | 68.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 175.4 | -74.8 | 176 | 0 | 0 | 0 | 111.9 | F130 I138 F192 F193 Y199 Y200 | F130-L196 HydrophobicContact CE1-CD2 3.87Å; F130-L196 HydrophobicContact CZ-CD2 3.66Å; I138-L196 HydrophobicContact CD1-CD1 4.22Å; I138-L196 HydrophobicContact CD1-CD2 4.11Å; I138-L196 HydrophobicContact CG1-CD1 3.92Å; I138-L196 HydrophobicContact CG1-CD2 4.43Å; I138-L196 HydrophobicContact CG2-CD1 4.32Å; F192-L196 HydrophobicContact CD1-CD1 3.88Å; F192-L196 HydrophobicContact CE1-CD1 3.31Å; F192-L196 HydrophobicContact CE1-CG 4.2Å; F192-L196 HydrophobicContact CE2-CD1 4.32Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.57Å; F192-L196 HydrophobicContact CZ-CD2 4.42Å; F192-L196 HydrophobicContact CZ-CG 4.12Å; F192-L196 PolarHBondContact O-N 3.27Å; F193-L196 HydrophobicContact CD1-CD1 4.11Å; F193-L196 PolarHBondContact O-N 3.24Å; L196-Y199 PolarHBondContact O-N 2.94Å; L196-Y200 WeakPolarHBondContact O-CB 3.24Å; L196-Y200 PolarHBondContact O-N 3.1Å |
| 197 | K | 92 | Very high | 90.2 | Very high | 111 Ų | 111 | 69.5 Ų | 69.5 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.1 | -172.7 | 175.1 | -177.8 | 175.7 | 0 | 111.4 | L176 F193 T194 L195 Y199 Y200 T201 | L176-K197 HydrophobicContact CD1-CD 4.27Å; F193-K197 WeakPolarHBondContact O-CB 3.25Å; F193-K197 PolarHBondContact O-N 3.31Å; T194-K197 PolarHBondContact O-N 3.43Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.49Å; K197-Y199 PolarHBondContact O-N 3.48Å; K197-Y200 PolarHBondContact O-N 3.06Å; K197-T201 HydrophobicContact CG-CG2 4.46Å; K197-T201 VanDerWaalsContact O-CG2 3.29Å; K197-T201 WeakPolarHBondContact O-CG2 3.29Å; K197-T201 PolarHBondContact O-N 3.44Å; K197-T201 PolarHBondContact O-OG1 2.89Å; K197-T201 VanDerWaalsContact O-OG1 3.12Å |
| 198 | I | 93.1 | Very high | 89.9 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.9 | -52.7 | 175.2 | -69.3 | 166.2 | 0 | 0 | 0 | 109.4 | T194 L195 Y200 T201 T202 | T194-I198 HydrophobicContact CG2-CD1 4.05Å; T194-I198 VanDerWaalsContact O-CG1 3.31Å; T194-I198 WeakPolarHBondContact O-CG1 3.46Å; T194-I198 PolarHBondContact O-N 2.96Å; L195-I198 PolarHBondContact O-N 3.05Å; I198-Y200 PolarHBondContact O-N 3.25Å; I198-T201 WeakPolarHBondContact CA-OG1 3.38Å; I198-T201 PolarHBondContact O-N 3.29Å; I198-T201 VanDerWaalsContact O-N 3.14Å; I198-T201 PolarHBondContact O-OG1 2.77Å; I198-T202 PolarHBondContact O-N 2.94Å; I198-T202 PolarHBondContact O-OG1 3.36Å; I198-T202 VanDerWaalsContact O-OG1 3.04Å |
| 199 | Y | 94 | Very high | 89.4 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 178.5 | -178.8 | -93.4 | 0 | 0 | 0 | 112.5 | P129 F130 L195 L196 K197 T201 T202 Y203 | P129-Y199 HydrophobicContact CB-CE1 4.08Å; P129-Y199 WeakPolarHBondContact O-CE1 3.32Å; F130-Y199 HydrophobicContact CD1-CD1 4.43Å; F130-Y199 HydrophobicContact CD1-CE1 4.12Å; F130-Y199 AromaticContact CE1-CD1 3.47Å; F130-Y199 HydrophobicContact CE1-CD1 3.47Å; F130-Y199 VanDerWaalsContact CE1-CD1 3.47Å; F130-Y199 AromaticContact CE1-CE1 3.56Å; F130-Y199 HydrophobicContact CE1-CE1 3.56Å; F130-Y199 AromaticContact CZ-CD1 3.52Å; F130-Y199 HydrophobicContact CZ-CD1 3.52Å; F130-Y199 HydrophobicContact CZ-CE1 4Å; L195-Y199 WeakPolarHBondContact O-CB 3.49Å; L195-Y199 PolarHBondContact O-N 3.32Å; L196-Y199 PolarHBondContact O-N 2.94Å; K197-Y199 PolarHBondContact O-N 3.48Å; Y199-T201 PolarHBondContact O-N 3.27Å; Y199-T202 PolarHBondContact O-N 3.28Å; Y199-Y203 PolarHBondContact O-N 3.36Å |
| 200 | Y | 93.1 | Very high | 88.8 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.3 | -170.9 | -82.8 | 0 | 0 | 0 | 111.7 | A126 P129 F130 W135 L196 K197 I198 T202 Y203 V204 | A126-Y200 WeakPolarHBondContact CA-OH 3.36Å; A126-Y200 VanDerWaalsContact O-CE2 3.24Å; A126-Y200 WeakPolarHBondContact O-CE2 3.41Å; A126-Y200 PolarHBondContact O-OH 3.45Å; P129-Y200 HydrophobicContact CB-CD2 4.25Å; P129-Y200 HydrophobicContact CG-CD2 3.41Å; P129-Y200 VanDerWaalsContact CG-CD2 3.41Å; P129-Y200 HydrophobicContact CG-CE2 3.44Å; P129-Y200 VanDerWaalsContact CG-CE2 3.44Å; P129-Y200 HydrophobicContact CG-CG 4.32Å; F130-Y200 HydrophobicContact CE2-CD2 4.09Å; W135-Y200 HydrophobicContact CH2-CD2 4.46Å; W135-Y200 HydrophobicContact CH2-CE2 4.14Å; W135-Y200 HydrophobicContact CZ2-CE2 4.28Å; L196-Y200 WeakPolarHBondContact O-CB 3.24Å; L196-Y200 PolarHBondContact O-N 3.1Å; K197-Y200 PolarHBondContact O-N 3.06Å; I198-Y200 PolarHBondContact O-N 3.25Å; Y200-T202 VanDerWaalsContact C-N 3.35Å; Y200-T202 PolarHBondContact O-N 3.33Å; Y200-Y203 WeakPolarHBondContact O-CB 3.4Å; Y200-Y203 PolarHBondContact O-N 3.38Å; Y200-V204 HydrophobicContact CD1-CG2 3.73Å; Y200-V204 HydrophobicContact CE1-CG2 3.51Å; Y200-V204 VanDerWaalsContact O-CG2 3.25Å; Y200-V204 WeakPolarHBondContact O-CG2 3.37Å; Y200-V204 PolarHBondContact O-N 3.04Å |
| 201 | T | 92.7 | Very high | 88.1 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 177.2 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | K197 I198 Y199 V204 L205 | K197-T201 HydrophobicContact CG-CG2 4.46Å; K197-T201 VanDerWaalsContact O-CG2 3.29Å; K197-T201 WeakPolarHBondContact O-CG2 3.29Å; K197-T201 PolarHBondContact O-N 3.44Å; K197-T201 PolarHBondContact O-OG1 2.89Å; K197-T201 VanDerWaalsContact O-OG1 3.12Å; I198-T201 WeakPolarHBondContact CA-OG1 3.38Å; I198-T201 PolarHBondContact O-N 3.29Å; I198-T201 VanDerWaalsContact O-N 3.14Å; I198-T201 PolarHBondContact O-OG1 2.77Å; Y199-T201 PolarHBondContact O-N 3.27Å; T201-V204 PolarHBondContact O-N 2.96Å; T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.45Å; T201-L205 PolarHBondContact O-N 3.04Å |
| 202 | T | 93.1 | Very high | 87.5 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 172.8 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | I198 Y199 Y200 L205 A206 | I198-T202 PolarHBondContact O-N 2.94Å; I198-T202 PolarHBondContact O-OG1 3.36Å; I198-T202 VanDerWaalsContact O-OG1 3.04Å; Y199-T202 PolarHBondContact O-N 3.28Å; Y200-T202 VanDerWaalsContact C-N 3.35Å; Y200-T202 PolarHBondContact O-N 3.33Å; T202-L205 PolarHBondContact O-N 3.31Å; T202-A206 VanDerWaalsContact O-CB 3.28Å; T202-A206 WeakPolarHBondContact O-CB 3.41Å; T202-A206 PolarHBondContact O-N 2.84Å |
| 203 | Y | 91.8 | Very high | 86.9 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 18% | 0.184 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 173.4 | 165.7 | -91.7 | 0 | 0 | 0 | 112.2 | F124 K125 A128 P129 Y199 Y200 L205 A206 S207 | F124-Y203 HydrophobicContact CD2-CE1 4.02Å; F124-Y203 HydrophobicContact CE2-CD1 4.44Å; F124-Y203 AromaticContact CE2-CE1 3.93Å; F124-Y203 HydrophobicContact CE2-CE1 3.93Å; K125-Y203 PolarHBondContact O-OH 2.85Å; A128-Y203 HydrophobicContact CB-CE2 4.36Å; A128-Y203 WeakPolarHBondContact CB-OH 3.49Å; P129-Y203 HydrophobicContact CB-CD1 3.85Å; P129-Y203 HydrophobicContact CB-CD2 4.1Å; P129-Y203 HydrophobicContact CB-CE1 4.48Å; P129-Y203 HydrophobicContact CB-CG 3.65Å; P129-Y203 HydrophobicContact CG-CD1 3.41Å; P129-Y203 VanDerWaalsContact CG-CD1 3.41Å; P129-Y203 HydrophobicContact CG-CD2 4.46Å; P129-Y203 HydrophobicContact CG-CE1 3.83Å; P129-Y203 HydrophobicContact CG-CG 3.79Å; Y199-Y203 PolarHBondContact O-N 3.36Å; Y200-Y203 WeakPolarHBondContact O-CB 3.4Å; Y200-Y203 PolarHBondContact O-N 3.38Å; Y203-L205 VanDerWaalsContact C-N 3.33Å; Y203-L205 PolarHBondContact O-N 3.14Å; Y203-A206 PolarHBondContact O-N 3.4Å; Y203-S207 WeakPolarHBondContact CE2-OG 3.37Å; Y203-S207 VanDerWaalsContact O-CB 3.25Å; Y203-S207 WeakPolarHBondContact O-CB 3.46Å; Y203-S207 PolarHBondContact O-N 3.23Å; Y203-S207 PolarHBondContact O-OG 2.71Å; Y203-S207 PolarHBondContact OH-OG 3.42Å |
| 204 | V | 88.7 | Confident | 86.7 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | F124 Y200 T201 A206 S207 L208 | F124-V204 HydrophobicContact CE2-CB 4.25Å; F124-V204 HydrophobicContact CE2-CG1 4.24Å; F124-V204 HydrophobicContact CE2-CG2 3.63Å; F124-V204 HydrophobicContact CZ-CG2 4.24Å; Y200-V204 HydrophobicContact CD1-CG2 3.73Å; Y200-V204 HydrophobicContact CE1-CG2 3.51Å; Y200-V204 VanDerWaalsContact O-CG2 3.25Å; Y200-V204 WeakPolarHBondContact O-CG2 3.37Å; Y200-V204 PolarHBondContact O-N 3.04Å; T201-V204 PolarHBondContact O-N 2.96Å; V204-A206 PolarHBondContact O-N 3.46Å; V204-S207 PolarHBondContact O-N 3.03Å; V204-L208 HydrophobicContact CG1-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 WeakPolarHBondContact O-CB 3.43Å; V204-L208 VanDerWaalsContact O-CG 3.26Å; V204-L208 WeakPolarHBondContact O-CG 3.39Å; V204-L208 PolarHBondContact O-N 2.99Å |
| 205 | L | 87.8 | Confident | 86.6 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 179.1 | -172.7 | 67 | 0 | 0 | 0 | 111.3 | T201 T202 Y203 S207 L208 L209 | T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.45Å; T201-L205 PolarHBondContact O-N 3.04Å; T202-L205 PolarHBondContact O-N 3.31Å; Y203-L205 VanDerWaalsContact C-N 3.33Å; Y203-L205 PolarHBondContact O-N 3.14Å; L205-S207 PolarHBondContact O-N 3.12Å; L205-L208 PolarHBondContact O-N 3.37Å; L205-L209 HydrophobicContact CD1-CD1 3.44Å; L205-L209 VanDerWaalsContact CD1-CD1 3.44Å; L205-L209 HydrophobicContact CD1-CG 3.86Å; L205-L209 HydrophobicContact CD2-CD1 4.39Å; L205-L209 HydrophobicContact CG-CD1 3.67Å; L205-L209 HydrophobicContact CG-CG 4.24Å; L205-L209 VanDerWaalsContact O-CB 3.26Å; L205-L209 WeakPolarHBondContact O-CB 3.4Å; L205-L209 VanDerWaalsContact O-CG 3.32Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.92Å |
| 206 | A | 86.6 | Confident | 86.4 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T202 Y203 V204 L208 Y210 | T202-A206 VanDerWaalsContact O-CB 3.28Å; T202-A206 WeakPolarHBondContact O-CB 3.41Å; T202-A206 PolarHBondContact O-N 2.84Å; Y203-A206 PolarHBondContact O-N 3.4Å; V204-A206 PolarHBondContact O-N 3.46Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 2.91Å; A206-Y210 HydrophobicContact CB-CD2 4.05Å; A206-Y210 HydrophobicContact CB-CE2 4.36Å; A206-Y210 WeakPolarHBondContact O-CB 3.39Å; A206-Y210 WeakPolarHBondContact O-CD2 3.29Å; A206-Y210 PolarHBondContact O-N 3.17Å |
| 207 | S | 83.9 | Confident | 86.4 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 12% | 0.119 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.4 | -29.4 | 179.9 | -62.1 | 0 | 0 | 0 | 0 | 113 | Y203 V204 L205 | Y203-S207 WeakPolarHBondContact CE2-OG 3.37Å; Y203-S207 VanDerWaalsContact O-CB 3.25Å; Y203-S207 WeakPolarHBondContact O-CB 3.46Å; Y203-S207 PolarHBondContact O-N 3.23Å; Y203-S207 PolarHBondContact O-OG 2.71Å; Y203-S207 PolarHBondContact OH-OG 3.42Å; V204-S207 PolarHBondContact O-N 3.03Å; L205-S207 PolarHBondContact O-N 3.12Å |
| 208 | L | 80 | Confident | 86.5 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -89.5 | -33.8 | 178.8 | -66 | -178.1 | 0 | 0 | 0 | 113.1 | F124 V204 L205 A206 L377 | F124-L208 HydrophobicContact CB-CD2 4.03Å; F124-L208 HydrophobicContact CG-CD2 4.49Å; V204-L208 HydrophobicContact CG1-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CG 4.35Å; V204-L208 WeakPolarHBondContact O-CB 3.43Å; V204-L208 VanDerWaalsContact O-CG 3.26Å; V204-L208 WeakPolarHBondContact O-CG 3.39Å; V204-L208 PolarHBondContact O-N 2.99Å; L205-L208 PolarHBondContact O-N 3.37Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 2.91Å; L208-L377 HydrophobicContact CD1-CD1 4.21Å; L208-L377 HydrophobicContact CD2-CD1 3.59Å; L208-L377 HydrophobicContact CG-CD1 4.38Å |
| 209 | L | 79.1 | Confident | 86.5 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 60% | 0.597 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -88.3 | -34.5 | -177.4 | -68.2 | -175.3 | 0 | 0 | 0 | 113.9 | L205 | L205-L209 HydrophobicContact CD1-CD1 3.44Å; L205-L209 VanDerWaalsContact CD1-CD1 3.44Å; L205-L209 HydrophobicContact CD1-CG 3.86Å; L205-L209 HydrophobicContact CD2-CD1 4.39Å; L205-L209 HydrophobicContact CG-CD1 3.67Å; L205-L209 HydrophobicContact CG-CG 4.24Å; L205-L209 VanDerWaalsContact O-CB 3.26Å; L205-L209 WeakPolarHBondContact O-CB 3.4Å; L205-L209 VanDerWaalsContact O-CG 3.32Å; L205-L209 WeakPolarHBondContact O-CG 3.37Å; L205-L209 PolarHBondContact O-N 2.92Å |
| 210 | Y | 76.8 | Confident | 86.5 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -89.5 | 136.6 | -175.8 | -71.3 | -78.9 | 0 | 0 | 0 | 112.4 | R123 A206 A212 | R123-Y210 PolarHBondContact NH1-O 3.17Å; A206-Y210 HydrophobicContact CB-CD2 4.05Å; A206-Y210 HydrophobicContact CB-CE2 4.36Å; A206-Y210 WeakPolarHBondContact O-CB 3.39Å; A206-Y210 WeakPolarHBondContact O-CD2 3.29Å; A206-Y210 PolarHBondContact O-N 3.17Å; Y210-A212 PolarHBondContact O-N 3.42Å |
| 211 | P | 72.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 131.5 | 174.6 | -19.6 | 21.5 | 0 | 0 | 0 | 112.8 | R123 G213 R368 A369 V371 | R123-P211 VanDerWaalsContact CZ-C 3.48Å; R123-P211 PolarHBondContact NH1-O 2.72Å; R123-P211 PolarHBondContact NH2-O 3.4Å; P211-G213 PolarHBondContact O-N 3.14Å; P211-R368 HydrophobicContact CB-CB 4.28Å; P211-A369 HydrophobicContact CB-CB 4.41Å; P211-V371 HydrophobicContact CB-CG2 3.38Å; P211-V371 HydrophobicContact CG-CB 4.24Å; P211-V371 HydrophobicContact CG-CG2 3.49Å; P211-V371 VanDerWaalsContact CG-CG2 3.49Å |
| 212 | A | 75.7 | Confident | 86.7 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -47 | 130.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P119 P120 R123 Y210 R368 A369 | P119-A212 HydrophobicContact CB-CB 3.83Å; P120-A212 HydrophobicContact CG-CB 4.39Å; P120-A212 VanDerWaalsContact O-CB 3.22Å; P120-A212 WeakPolarHBondContact O-CB 3.18Å; R123-A212 HydrophobicContact CG-CB 4.03Å; Y210-A212 PolarHBondContact O-N 3.42Å; A212-R368 CarbonylContact O-C 3.56Å; A212-R368 WeakPolarHBondContact O-CA 3.1Å; A212-A369 HydrophobicContact CB-CB 4.25Å; A212-A369 WeakPolarHBondContact O-CB 3.38Å; A212-A369 PolarHBondContact O-N 3.26Å |
| 213 | G | 78.6 | Confident | 86.9 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | P211 V367 | P211-G213 PolarHBondContact O-N 3.14Å; G213-V367 CarbonylContact C-O 3.51Å; G213-V367 VanDerWaalsContact CA-O 3.3Å; G213-V367 WeakPolarHBondContact CA-O 3.4Å |
| 214 | V | 85 | Confident | 87.1 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.5 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | L117 P119 W310 Q366 V367 | L117-V214 HydrophobicContact CB-CG1 3.8Å; L117-V214 HydrophobicContact CD1-CG1 3.87Å; L117-V214 HydrophobicContact CG-CG1 4.47Å; P119-V214 HydrophobicContact CB-CG2 4Å; V214-W310 WeakPolarHBondContact O-CH2 3.49Å; V214-Q366 WeakPolarHBondContact O-CA 3.45Å; V214-V367 PolarHBondContact N-O 2.84Å; V214-V367 PolarHBondContact O-N 2.98Å |
| 215 | Q | 88.1 | Confident | 87.4 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 152.9 | 169.8 | -58.1 | -67.7 | -17.3 | 0 | 0 | 108.8 | W310 Q366 | Q215-W310 VanDerWaalsContact C-CH2 3.42Å; Q215-Q366 VanDerWaalsContact CD-CG 3.42Å; Q215-Q366 VanDerWaalsContact CD-NE2 3.32Å |
| 216 | R | 89.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | -62 | 144.4 | 169.9 | 57.2 | -175.3 | 179.5 | 166.4 | 7.2 | 110.1 | F218 T219 W310 I312 P365 | R216-F218 VanDerWaalsContact C-N 3.28Å; R216-F218 VanDerWaalsContact CD-O 3.29Å; R216-F218 WeakPolarHBondContact CD-O 3.13Å; R216-F218 WeakPolarHBondContact CG-O 3.39Å; R216-F218 PolarHBondContact O-N 2.02Å; R216-T219 VanDerWaalsContact NH2-CB 3.34Å; R216-T219 VanDerWaalsContact NH2-CG2 3.32Å; R216-W310 HydrophobicContact CB-CD2 4.43Å; R216-W310 HydrophobicContact CB-CE3 4.45Å; R216-W310 HydrophobicContact CB-CH2 3.73Å; R216-W310 HydrophobicContact CB-CZ2 3.66Å; R216-W310 HydrophobicContact CB-CZ3 4.11Å; R216-I312 HydrophobicContact CB-CD1 4.06Å; R216-P365 PolarHBondContact N-O 3.19Å | ||
| 217 | P | 92.4 | Very high | 88.3 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -67.9 | -26.6 | -177.7 | 26.3 | -35.2 | 0 | 0 | 0 | 113.3 | I114 L227 Y233 | I114-P217 HydrophobicContact CD1-CG 3.65Å; P217-L227 HydrophobicContact CB-CD1 4.42Å; P217-Y233 HydrophobicContact CB-CE2 4.07Å; P217-Y233 HydrophobicContact CG-CE2 4.21Å; P217-Y233 WeakPolarHBondContact CG-OH 3.33Å |
| 218 | F | 94.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | trans | -151.2 | 165.3 | 178.5 | 56.6 | -89.7 | 0 | 0 | 0 | 110.9 | F112 I114 R216 E223 L224 L227 V288 I312 | F112-F218 HydrophobicContact CB-CE2 3.82Å; F112-F218 HydrophobicContact CB-CZ 4.1Å; F112-F218 HydrophobicContact CD2-CD2 4.16Å; F112-F218 AromaticContact CD2-CE2 3.52Å; F112-F218 HydrophobicContact CD2-CE2 3.52Å; F112-F218 HydrophobicContact CE2-CE2 4.23Å; F112-F218 AromaticContact CG-CE2 3.73Å; F112-F218 HydrophobicContact CG-CE2 3.73Å; F112-F218 HydrophobicContact CG-CZ 4.42Å; I114-F218 HydrophobicContact CG2-CE1 4.21Å; I114-F218 HydrophobicContact CG2-CZ 3.93Å; R216-F218 VanDerWaalsContact C-N 3.28Å; R216-F218 VanDerWaalsContact CD-O 3.29Å; R216-F218 WeakPolarHBondContact CD-O 3.13Å; R216-F218 WeakPolarHBondContact CG-O 3.39Å; R216-F218 PolarHBondContact O-N 2.02Å; F218-E223 VanDerWaalsContact CA-OE2 3.26Å; F218-E223 WeakPolarHBondContact CA-OE2 3.2Å; F218-E223 HydrophobicContact CB-CB 3.73Å; F218-L224 HydrophobicContact CD1-CD1 4.27Å; F218-L224 HydrophobicContact CD2-CB 3.95Å; F218-L224 HydrophobicContact CE1-CD1 3.86Å; F218-L224 HydrophobicContact CE2-CB 4.13Å; F218-L224 HydrophobicContact CE2-CD1 4.14Å; F218-L224 HydrophobicContact CE2-CD2 4.16Å; F218-L224 HydrophobicContact CE2-CG 4.37Å; F218-L224 HydrophobicContact CG-CB 4.28Å; F218-L224 HydrophobicContact CZ-CD1 3.79Å; F218-L224 HydrophobicContact CZ-CD2 4.39Å; F218-L224 HydrophobicContact CZ-CG 4.49Å; F218-L227 HydrophobicContact CB-CD1 3.86Å; F218-L227 HydrophobicContact CD1-CD1 3.49Å; F218-L227 VanDerWaalsContact CD1-CD1 3.49Å; F218-L227 HydrophobicContact CE1-CD1 4.45Å; F218-L227 HydrophobicContact CG-CD1 4.06Å; F218-V288 HydrophobicContact CE1-CG2 4.36Å; F218-V288 HydrophobicContact CZ-CG1 4.09Å; F218-V288 HydrophobicContact CZ-CG2 4.32Å; F218-I312 HydrophobicContact CD2-CD1 4.39Å; F218-I312 HydrophobicContact CD2-CG2 4.43Å; F218-I312 HydrophobicContact CE1-CD1 4.39Å; F218-I312 HydrophobicContact CE2-CD1 3.95Å; F218-I312 HydrophobicContact CE2-CG2 4.33Å; F218-I312 HydrophobicContact CZ-CD1 3.94Å | ||
| 219 | T | 92.9 | Very high | 89.5 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -119.9 | -23.5 | -175.6 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | R216 E223 | R216-T219 VanDerWaalsContact NH2-CB 3.34Å; R216-T219 VanDerWaalsContact NH2-CG2 3.32Å; T219-E223 PolarHBondContact N-OE2 3.16Å; T219-E223 PolarHBondContact OG1-OE1 2.96Å; T219-E223 PolarHBondContact OG1-OE2 3.47Å |
| 220 | N | 94.1 | Very high | 90.3 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -149.3 | 172.7 | -171.1 | 61.6 | 63 | 0 | 0 | 0 | 111.2 | V222 E223 L224 I316 | N220-V222 VanDerWaalsContact C-N 3.28Å; N220-V222 PolarHBondContact O-N 2.75Å; N220-V222 WeakPolarHBondContact OD1-CA 3.42Å; N220-V222 WeakPolarHBondContact OD1-CB 3.42Å; N220-V222 PolarHBondContact OD1-N 2.94Å; N220-E223 PolarHBondContact ND2-OE1 3.33Å; N220-E223 PolarHBondContact OD1-N 3.16Å; N220-L224 PolarHBondContact O-N 2.95Å; N220-L224 VanDerWaalsContact O-N 3.17Å; N220-I316 HydrophobicContact CB-CD1 3.69Å; N220-I316 HydrophobicContact CB-CG1 4.22Å |
| 221 | I | 95.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -27.4 | -177.8 | -169 | 57 | 0 | 0 | 0 | 114 | F112 L224 A225 C249 T253 L257 I290 D314 I316 F317 | F112-I221 HydrophobicContact CE1-CD1 3.79Å; F112-I221 HydrophobicContact CZ-CB 3.93Å; F112-I221 HydrophobicContact CZ-CD1 3.95Å; I221-L224 HydrophobicContact CD1-CD2 4.03Å; I221-L224 PolarHBondContact O-N 3.42Å; I221-A225 WeakPolarHBondContact O-CB 3.47Å; I221-A225 PolarHBondContact O-N 3.43Å; I221-C249 HydrophobicContact CG1-CB 4.16Å; I221-C249 HydrophobicContact CG2-CB 4.47Å; I221-T253 HydrophobicContact CG1-CG2 4.33Å; I221-L257 HydrophobicContact CD1-CD1 3.73Å; I221-L257 HydrophobicContact CD1-CD2 4.41Å; I221-L257 HydrophobicContact CG1-CD1 3.86Å; I221-I290 HydrophobicContact CD1-CD1 4.29Å; I221-D314 WeakPolarHBondContact CB-OD2 3.37Å; I221-I316 HydrophobicContact CG2-CD1 4.34Å; I221-F317 HydrophobicContact CG2-CD2 4.47Å; I221-F317 HydrophobicContact CG2-CE2 4.23Å |
| 222 | V | 95.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70 | -51.2 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | N220 L224 A225 D226 T253 I316 | N220-V222 VanDerWaalsContact C-N 3.28Å; N220-V222 PolarHBondContact O-N 2.75Å; N220-V222 WeakPolarHBondContact OD1-CA 3.42Å; N220-V222 WeakPolarHBondContact OD1-CB 3.42Å; N220-V222 PolarHBondContact OD1-N 2.94Å; V222-L224 VanDerWaalsContact C-N 3.26Å; V222-L224 PolarHBondContact O-N 3.47Å; V222-A225 WeakPolarHBondContact O-CB 3.25Å; V222-A225 PolarHBondContact O-N 2.8Å; V222-D226 PolarHBondContact O-N 3.17Å; V222-T253 HydrophobicContact CG2-CG2 4.47Å; V222-I316 HydrophobicContact CG2-CD1 4.15Å |
| 223 | E | 95.7 | Very high | 93.1 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -36.1 | 174.5 | -69.6 | 168.6 | -153 | 0 | 0 | 112 | F218 T219 N220 A225 D226 L227 | F218-E223 VanDerWaalsContact CA-OE2 3.26Å; F218-E223 WeakPolarHBondContact CA-OE2 3.2Å; F218-E223 HydrophobicContact CB-CB 3.73Å; T219-E223 PolarHBondContact N-OE2 3.16Å; T219-E223 PolarHBondContact OG1-OE1 2.96Å; T219-E223 PolarHBondContact OG1-OE2 3.47Å; N220-E223 PolarHBondContact ND2-OE1 3.33Å; N220-E223 PolarHBondContact OD1-N 3.16Å; E223-A225 VanDerWaalsContact C-N 3.34Å; E223-D226 PolarHBondContact O-N 3.37Å; E223-L227 WeakPolarHBondContact O-CG 3.1Å; E223-L227 PolarHBondContact O-N 3.39Å |
| 224 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 174.7 | 176.3 | 59.1 | 0 | 0 | 0 | 112.1 | F112 F218 N220 I221 V222 D226 L227 L228 V288 I290 | F112-L224 HydrophobicContact CD1-CD2 3.61Å; F112-L224 HydrophobicContact CE1-CD2 3.67Å; F112-L224 HydrophobicContact CG-CD2 4.13Å; F112-L224 HydrophobicContact CZ-CD2 4.22Å; F218-L224 HydrophobicContact CD1-CD1 4.27Å; F218-L224 HydrophobicContact CD2-CB 3.95Å; F218-L224 HydrophobicContact CE1-CD1 3.86Å; F218-L224 HydrophobicContact CE2-CB 4.13Å; F218-L224 HydrophobicContact CE2-CD1 4.14Å; F218-L224 HydrophobicContact CE2-CD2 4.16Å; F218-L224 HydrophobicContact CE2-CG 4.37Å; F218-L224 HydrophobicContact CG-CB 4.28Å; F218-L224 HydrophobicContact CZ-CD1 3.79Å; F218-L224 HydrophobicContact CZ-CD2 4.39Å; F218-L224 HydrophobicContact CZ-CG 4.49Å; N220-L224 PolarHBondContact O-N 2.95Å; N220-L224 VanDerWaalsContact O-N 3.17Å; I221-L224 HydrophobicContact CD1-CD2 4.03Å; I221-L224 PolarHBondContact O-N 3.42Å; V222-L224 VanDerWaalsContact C-N 3.26Å; V222-L224 PolarHBondContact O-N 3.47Å; L224-D226 VanDerWaalsContact C-N 3.35Å; L224-L227 PolarHBondContact O-N 2.84Å; L224-L228 HydrophobicContact CD1-CD1 4.14Å; L224-L228 HydrophobicContact CD1-CG 4.05Å; L224-L228 HydrophobicContact CG-CD1 3.96Å; L224-L228 HydrophobicContact CG-CG 4.35Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 3.35Å; L224-V288 HydrophobicContact CD1-CB 4.37Å; L224-V288 HydrophobicContact CD1-CG1 4.17Å; L224-V288 HydrophobicContact CD1-CG2 3.89Å; L224-V288 HydrophobicContact CD2-CG1 4.01Å; L224-I290 HydrophobicContact CD2-CD1 3.9Å; L224-I290 HydrophobicContact CD2-CG1 4.22Å |
| 225 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I221 V222 E223 L227 L228 E229 T253 Q256 L257 | I221-A225 WeakPolarHBondContact O-CB 3.47Å; I221-A225 PolarHBondContact O-N 3.43Å; V222-A225 WeakPolarHBondContact O-CB 3.25Å; V222-A225 PolarHBondContact O-N 2.8Å; E223-A225 VanDerWaalsContact C-N 3.34Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L227 PolarHBondContact O-N 2.95Å; A225-L228 PolarHBondContact O-N 2.89Å; A225-E229 WeakPolarHBondContact O-CB 3.3Å; A225-E229 PolarHBondContact O-N 3.16Å; A225-T253 HydrophobicContact CB-CG2 3.62Å; A225-Q256 HydrophobicContact CB-CG 4.27Å; A225-L257 HydrophobicContact CB-CD2 3.74Å; A225-L257 HydrophobicContact CB-CG 3.9Å |
| 226 | D | 96.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 40.7 Ų | 40.7 | 47% | 0.465 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.4 | -64.3 | -25.2 | 0 | 0 | 0 | 111.8 | V222 E223 L224 E229 S230 Q256 | V222-D226 PolarHBondContact O-N 3.17Å; E223-D226 PolarHBondContact O-N 3.37Å; L224-D226 VanDerWaalsContact C-N 3.35Å; D226-E229 PolarHBondContact O-N 3.41Å; D226-S230 PolarHBondContact O-N 3.17Å; D226-S230 PolarHBondContact O-OG 2.82Å; D226-Q256 PolarHBondContact OD1-NE2 2.93Å |
| 227 | L | 96.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -31 | 178.2 | -69.5 | 175.2 | 0 | 0 | 0 | 113.8 | P217 F218 E223 L224 A225 S230 G231 E232 Y233 | P217-L227 HydrophobicContact CB-CD1 4.42Å; F218-L227 HydrophobicContact CB-CD1 3.86Å; F218-L227 HydrophobicContact CD1-CD1 3.49Å; F218-L227 VanDerWaalsContact CD1-CD1 3.49Å; F218-L227 HydrophobicContact CE1-CD1 4.45Å; F218-L227 HydrophobicContact CG-CD1 4.06Å; E223-L227 WeakPolarHBondContact O-CG 3.1Å; E223-L227 PolarHBondContact O-N 3.39Å; L224-L227 PolarHBondContact O-N 2.84Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L227 PolarHBondContact O-N 2.95Å; L227-S230 PolarHBondContact O-OG 2.75Å; L227-S230 VanDerWaalsContact O-OG 3.1Å; L227-G231 PolarHBondContact O-N 2.9Å; L227-E232 HydrophobicContact CD2-CB 4.37Å; L227-E232 WeakPolarHBondContact CD2-OE2 3.35Å; L227-E232 PolarHBondContact O-N 3.08Å; L227-E232 VanDerWaalsContact O-N 3.16Å; L227-Y233 HydrophobicContact CB-CD2 4.04Å; L227-Y233 HydrophobicContact CD1-CD2 4.08Å; L227-Y233 HydrophobicContact CD1-CE2 4.23Å; L227-Y233 PolarHBondContact O-N 2.84Å |
| 228 | L | 95.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.8 | -36.6 | 173 | -73.1 | 169.9 | 0 | 0 | 0 | 111.1 | L224 A225 G231 Y233 L235 L257 A260 | L224-L228 HydrophobicContact CD1-CD1 4.14Å; L224-L228 HydrophobicContact CD1-CG 4.05Å; L224-L228 HydrophobicContact CG-CD1 3.96Å; L224-L228 HydrophobicContact CG-CG 4.35Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 2.89Å; L228-G231 PolarHBondContact O-N 3.47Å; L228-Y233 WeakPolarHBondContact CD2-O 3.39Å; L228-L235 HydrophobicContact CD2-CB 4.49Å; L228-L257 HydrophobicContact CD1-CD2 3.45Å; L228-L257 VanDerWaalsContact CD1-CD2 3.45Å; L228-A260 HydrophobicContact CB-CB 4.01Å |
| 229 | E | 94.6 | Very high | 94 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.8 | -172.5 | 167 | -149.1 | 0 | 0 | 111.9 | A225 D226 G231 Q256 A260 K264 | A225-E229 WeakPolarHBondContact O-CB 3.3Å; A225-E229 PolarHBondContact O-N 3.16Å; D226-E229 PolarHBondContact O-N 3.41Å; E229-G231 PolarHBondContact O-N 3Å; E229-Q256 WeakPolarHBondContact OE2-CG 3.48Å; E229-Q256 PolarHBondContact OE2-NE2 3.08Å; E229-A260 HydrophobicContact CB-CB 4.34Å; E229-K264 VanDerWaalsContact O-CE 3.29Å; E229-K264 WeakPolarHBondContact O-CE 3.34Å |
| 230 | S | 95.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 46% | 0.462 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.5 | -26.3 | 173.3 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | D226 L227 E232 | D226-S230 PolarHBondContact O-N 3.17Å; D226-S230 PolarHBondContact O-OG 2.82Å; L227-S230 PolarHBondContact O-OG 2.75Å; L227-S230 VanDerWaalsContact O-OG 3.1Å; S230-E232 WeakPolarHBondContact OG-CG 3.44Å; S230-E232 PolarHBondContact OG-N 2.96Å |
| 231 | G | 94.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 11 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L227 L228 E229 | L227-G231 PolarHBondContact O-N 2.9Å; L228-G231 PolarHBondContact O-N 3.47Å; E229-G231 PolarHBondContact O-N 3Å |
| 232 | E | 94.6 | Very high | 92.3 | Very high | 127 Ų | 127 | 50.6 Ų | 50.6 | 59% | 0.593 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -64 | -34.6 | 170.7 | -74.9 | -175.2 | -152.6 | 0 | 0 | 111.6 | L227 S230 N286 | L227-E232 HydrophobicContact CD2-CB 4.37Å; L227-E232 WeakPolarHBondContact CD2-OE2 3.35Å; L227-E232 PolarHBondContact O-N 3.08Å; L227-E232 VanDerWaalsContact O-N 3.16Å; S230-E232 WeakPolarHBondContact OG-CG 3.44Å; S230-E232 PolarHBondContact OG-N 2.96Å; E232-N286 WeakPolarHBondContact O-CB 3.49Å |
| 233 | Y | 96 | Very high | 91.4 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -119.9 | 159.9 | 173.8 | -79.2 | -86 | 0 | 0 | 0 | 112 | I114 P217 L227 L228 N286 V288 | I114-Y233 HydrophobicContact CG2-CE1 4.47Å; P217-Y233 HydrophobicContact CB-CE2 4.07Å; P217-Y233 HydrophobicContact CG-CE2 4.21Å; P217-Y233 WeakPolarHBondContact CG-OH 3.33Å; L227-Y233 HydrophobicContact CB-CD2 4.04Å; L227-Y233 HydrophobicContact CD1-CD2 4.08Å; L227-Y233 HydrophobicContact CD1-CE2 4.23Å; L227-Y233 PolarHBondContact O-N 2.84Å; L228-Y233 WeakPolarHBondContact CD2-O 3.39Å; Y233-N286 CarbonylContact C-O 3.53Å; Y233-N286 VanDerWaalsContact CA-O 3.29Å; Y233-N286 WeakPolarHBondContact CA-O 3.5Å; Y233-N286 WeakPolarHBondContact CD1-O 3.44Å; Y233-V288 HydrophobicContact CD1-CG2 3.28Å; Y233-V288 HydrophobicContact CE1-CG2 4.04Å; Y233-V288 HydrophobicContact CG-CG2 3.8Å |
| 234 | R | 95.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.3 | 171.4 | -63.5 | -177.4 | 68.5 | -164.7 | -0.9 | 110.2 | L236 K264 G265 I266 N286 L287 V288 | R234-L236 PolarHBondContact O-N 2.79Å; R234-K264 PolarHBondContact NH2-O 2.92Å; R234-G265 PolarHBondContact NE-O 2.76Å; R234-G265 PolarHBondContact NH2-O 2.82Å; R234-I266 PolarHBondContact NH2-O 3.34Å; R234-N286 PolarHBondContact N-O 2.92Å; R234-L287 HydrophobicContact CB-CD2 3.98Å; R234-L287 WeakPolarHBondContact O-CA 3.43Å; R234-V288 PolarHBondContact O-N 3.01Å |
| 235 | L | 96.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.8 | 177.6 | -175.8 | 70.8 | 0 | 0 | 0 | 110.8 | L228 L244 F246 V261 I266 Y267 I290 | L228-L235 HydrophobicContact CD2-CB 4.49Å; L235-L244 HydrophobicContact CD2-CD1 4.47Å; L235-L244 HydrophobicContact CD2-CD2 3.29Å; L235-L244 HydrophobicContact CD2-CG 4.5Å; L235-F246 HydrophobicContact CD2-CE1 3.99Å; L235-F246 HydrophobicContact CD2-CZ 3.76Å; L235-V261 HydrophobicContact CB-CG2 4.47Å; L235-V261 HydrophobicContact CD2-CG2 4.11Å; L235-I266 HydrophobicContact CB-CG2 4.45Å; L235-I266 HydrophobicContact CD2-CG2 4.4Å; L235-Y267 PolarHBondContact O-N 3.41Å; L235-I290 HydrophobicContact CD1-CB 4.28Å; L235-I290 HydrophobicContact CD1-CD1 3.54Å; L235-I290 HydrophobicContact CD1-CG1 3.53Å |
| 236 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.1 | 167.5 | 176.7 | 66.9 | 0 | 0 | 0 | 109.4 | R234 Y267 V269 L277 L281 L287 V288 L289 | R234-L236 PolarHBondContact O-N 2.79Å; L236-Y267 HydrophobicContact CD1-CD1 3.43Å; L236-Y267 VanDerWaalsContact CD1-CD1 3.43Å; L236-Y267 HydrophobicContact CD1-CE1 4.17Å; L236-Y267 HydrophobicContact CD1-CG 4.23Å; L236-V269 HydrophobicContact CD1-CG2 3.43Å; L236-V269 VanDerWaalsContact CD1-CG2 3.43Å; L236-L277 HydrophobicContact CD2-CD2 4.42Å; L236-L277 WeakPolarHBondContact CD2-O 3.49Å; L236-L277 HydrophobicContact CG-CD2 4.37Å; L236-L281 HydrophobicContact CB-CD2 4.37Å; L236-L281 HydrophobicContact CD2-CD1 4.37Å; L236-L281 HydrophobicContact CD2-CD2 3.56Å; L236-L281 HydrophobicContact CD2-CG 3.56Å; L236-L287 HydrophobicContact CB-CB 4.37Å; L236-L287 HydrophobicContact CD1-CD1 4.28Å; L236-V288 WeakPolarHBondContact CB-O 3.28Å; L236-V288 PolarHBondContact N-O 2.86Å; L236-L289 HydrophobicContact CD2-CB 4.36Å |
| 237 | H | 91.6 | Very high | 88.7 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 13% | 0.13 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.6 | 174.6 | -150.4 | -68.2 | 0 | 0 | 0 | 112.2 | H239 L244 I266 Y267 Y268 V269 | H237-H239 VanDerWaalsContact C-N 3.33Å; H237-H239 AromaticContact CE1-CD2 3.44Å; H237-H239 PolarHBondContact CE1-CD2 3.17Å; H237-H239 VanDerWaalsContact CE1-CD2 3.44Å; H237-H239 AromaticContact CE1-CG 3.9Å; H237-H239 WeakPolarHBondContact ND1-CB 3.32Å; H237-H239 AromaticContact ND1-CD2 3.92Å; H237-H239 AromaticContact ND1-CG 3.92Å; H237-H239 PolarHBondContact ND1-N 3.36Å; H237-L244 WeakPolarHBondContact CD2-CD1 3.47Å; H237-L244 WeakPolarHBondContact NE2-CD1 3.05Å; H237-I266 HydrophobicContact CB-CD1 4.45Å; H237-Y267 PolarHBondContact N-O 2.88Å; H237-Y267 VanDerWaalsContact N-O 3.08Å; H237-Y268 WeakPolarHBondContact O-CA 2.77Å; H237-V269 PolarHBondContact O-N 3.22Å; H237-V269 VanDerWaalsContact O-N 3.11Å |
| 238 | Y | 85.5 | Confident | 88.2 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -89.2 | 3.7 | 174 | 66.4 | -88.8 | 0 | 0 | 0 | 114.2 | Y268 V269 L277 | Y238-Y268 VanDerWaalsContact O-CE2 3.3Å; Y238-Y268 WeakPolarHBondContact O-CE2 3.27Å; Y238-V269 WeakPolarHBondContact CA-O 3.38Å; Y238-V269 WeakPolarHBondContact CB-O 3.32Å; Y238-L277 HydrophobicContact CD1-CD1 4.4Å |
| 239 | H | 82.4 | Confident | 87.9 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -113.1 | 138.7 | 176 | -74.1 | -48.2 | 0 | 0 | 0 | 107.7 | H237 I266 | H237-H239 VanDerWaalsContact C-N 3.33Å; H237-H239 AromaticContact CE1-CD2 3.44Å; H237-H239 PolarHBondContact CE1-CD2 3.17Å; H237-H239 VanDerWaalsContact CE1-CD2 3.44Å; H237-H239 AromaticContact CE1-CG 3.9Å; H237-H239 WeakPolarHBondContact ND1-CB 3.32Å; H237-H239 AromaticContact ND1-CD2 3.92Å; H237-H239 AromaticContact ND1-CG 3.92Å; H237-H239 PolarHBondContact ND1-N 3.36Å; H239-I266 WeakPolarHBondContact O-CD1 2.89Å |
| 240 | P | 81.7 | Confident | 87.8 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -54.6 | 146.7 | 171.9 | -25.6 | 33.5 | 0 | 0 | 0 | 111.9 | K242 F243 Y268 | P240-K242 HydrophobicContact CB-CG 3.96Å; P240-K242 PolarHBondContact O-N 3.39Å; P240-F243 HydrophobicContact CB-CD2 4.09Å; P240-F243 HydrophobicContact CG-CD2 4.05Å; P240-F243 HydrophobicContact CG-CE2 4.34Å; P240-F243 PolarHBondContact O-N 3.28Å; P240-Y268 HydrophobicContact CG-CE2 3.98Å | ||
| 241 | A | 82.2 | Confident | 87.6 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -52.8 | -34.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F243 L244 V261 I266 | A241-F243 PolarHBondContact O-N 2.77Å; A241-F243 VanDerWaalsContact O-N 3.16Å; A241-L244 WeakPolarHBondContact O-CB 3.46Å; A241-L244 PolarHBondContact O-N 2.98Å; A241-L244 VanDerWaalsContact O-N 3.15Å; A241-V261 HydrophobicContact CB-CG1 4.03Å; A241-I266 HydrophobicContact CB-CD1 4.08Å; A241-I266 HydrophobicContact CB-CG1 4.11Å; A241-I266 HydrophobicContact CB-CG2 4.12Å; A241-I266 VanDerWaalsContact N-CD1 3.31Å |
| 242 | K | 81.9 | Confident | 87.6 | Confident | 168 Ų | 168 | 67.1 Ų | 67.1 | 73% | 0.73 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.4 | 177.6 | 59.4 | 173.3 | 173.3 | 173.4 | 0 | 115 | P240 | P240-K242 HydrophobicContact CB-CG 3.96Å; P240-K242 PolarHBondContact O-N 3.39Å |
| 243 | F | 77.8 | Confident | 87.6 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -107.3 | 0.3 | -179.1 | -59.8 | -55 | 0 | 0 | 0 | 112.8 | P240 A241 R245 | P240-F243 HydrophobicContact CB-CD2 4.09Å; P240-F243 HydrophobicContact CG-CD2 4.05Å; P240-F243 HydrophobicContact CG-CE2 4.34Å; P240-F243 PolarHBondContact O-N 3.28Å; A241-F243 PolarHBondContact O-N 2.77Å; A241-F243 VanDerWaalsContact O-N 3.16Å; F243-R245 PolarHBondContact O-N 3.49Å |
| 244 | L | 83.1 | Confident | 87.5 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | trans | -79.5 | 124 | -179.4 | -167.2 | 74.7 | 0 | 0 | 0 | 109.6 | L235 H237 A241 F246 V261 | L235-L244 HydrophobicContact CD2-CD1 4.47Å; L235-L244 HydrophobicContact CD2-CD2 3.29Å; L235-L244 HydrophobicContact CD2-CG 4.5Å; H237-L244 WeakPolarHBondContact CD2-CD1 3.47Å; H237-L244 WeakPolarHBondContact NE2-CD1 3.05Å; A241-L244 WeakPolarHBondContact O-CB 3.46Å; A241-L244 PolarHBondContact O-N 2.98Å; A241-L244 VanDerWaalsContact O-N 3.15Å; L244-F246 HydrophobicContact CD2-CE1 3.94Å; L244-F246 HydrophobicContact CD2-CE2 3.72Å; L244-F246 HydrophobicContact CD2-CZ 3.37Å; L244-F246 HydrophobicContact CG-CE1 4.5Å; L244-F246 HydrophobicContact CG-CE2 4.39Å; L244-F246 HydrophobicContact CG-CZ 4.24Å; L244-V261 HydrophobicContact CD2-CG1 4.25Å; L244-V261 HydrophobicContact CD2-CG2 4.18Å | ||
| 245 | R | 81.6 | Confident | 87.4 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | trans | -122.3 | 128.2 | 170.8 | -69.2 | -172.9 | 176.6 | 176.8 | 1.2 | 108.9 | F243 E247 | F243-R245 PolarHBondContact O-N 3.49Å; R245-E247 HydrophobicContact CB-CG 4.4Å | ||
| 246 | F | 85.7 | Confident | 87.4 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -95.2 | 113 | 173.7 | -61.4 | -76.1 | 0 | 0 | 0 | 108.8 | L235 L244 C254 L257 V261 I290 | L235-F246 HydrophobicContact CD2-CE1 3.99Å; L235-F246 HydrophobicContact CD2-CZ 3.76Å; L244-F246 HydrophobicContact CD2-CE1 3.94Å; L244-F246 HydrophobicContact CD2-CE2 3.72Å; L244-F246 HydrophobicContact CD2-CZ 3.37Å; L244-F246 HydrophobicContact CG-CE1 4.5Å; L244-F246 HydrophobicContact CG-CE2 4.39Å; L244-F246 HydrophobicContact CG-CZ 4.24Å; F246-C254 HydrophobicContact CB-CB 4.48Å; F246-L257 HydrophobicContact CD1-CD1 4.2Å; F246-L257 HydrophobicContact CD2-CB 3.8Å; F246-L257 HydrophobicContact CE1-CD1 4.48Å; F246-L257 HydrophobicContact CE2-CB 3.71Å; F246-L257 HydrophobicContact CG-CB 4.22Å; F246-L257 HydrophobicContact CG-CD1 4.27Å; F246-L257 HydrophobicContact CZ-CB 4.05Å; F246-V261 HydrophobicContact CE2-CG2 3.89Å; F246-V261 HydrophobicContact CZ-CG2 3.74Å; F246-I290 HydrophobicContact CE1-CD1 4.27Å | ||
| 247 | E | 77.1 | Confident | 87.4 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | trans | -112.6 | -8 | -173.7 | -67.6 | 163.2 | 167.5 | 0 | 0 | 112.2 | M92 R245 | M92-E247 HydrophobicContact CE-CB 4.31Å; M92-E247 WeakPolarHBondContact CE-OE2 3.29Å; M92-E247 VanDerWaalsContact SD-OE2 3.4Å; R245-E247 HydrophobicContact CB-CG 4.4Å | ||
| 248 | F | 84.7 | Confident | 87.4 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -122.8 | 60.9 | -174.1 | -56.5 | -71.6 | 0 | 0 | 0 | 112 | Y90 M92 Q110 Q319 | Y90-F248 HydrophobicContact CD1-CZ 4.36Å; Y90-F248 AromaticContact CD2-CE2 3.82Å; Y90-F248 HydrophobicContact CD2-CE2 3.82Å; Y90-F248 AromaticContact CD2-CZ 3.71Å; Y90-F248 HydrophobicContact CD2-CZ 3.71Å; Y90-F248 HydrophobicContact CE2-CE2 4.36Å; Y90-F248 HydrophobicContact CG-CE1 4.5Å; Y90-F248 HydrophobicContact CG-CE2 4.13Å; Y90-F248 AromaticContact CG-CZ 3.59Å; Y90-F248 HydrophobicContact CG-CZ 3.59Å; M92-F248 HydrophobicContact CE-CE2 3.95Å; M92-F248 HydrophobicContact CE-CZ 3.6Å; Q110-F248 PolarHBondContact NE2-O 3.24Å; Q110-F248 PolarHBondContact OE1-O 3.31Å; F248-Q319 HydrophobicContact CD1-CG 3.81Å; F248-Q319 HydrophobicContact CE1-CG 3.85Å; F248-Q319 HydrophobicContact CG-CG 4.21Å; F248-Q319 HydrophobicContact CZ-CG 4.27Å |
| 249 | C | 90.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -152.6 | 162.6 | 176.2 | 33.4 | 0 | 0 | 0 | 0 | 109.6 | I221 T253 C254 L257 | I221-C249 HydrophobicContact CG1-CB 4.16Å; I221-C249 HydrophobicContact CG2-CB 4.47Å; C249-T253 HydrophobicContact CB-CG2 4.39Å; C249-C254 VanDerWaalsContact CA-SG 3.52Å; C249-C254 HydrophobicContact CB-CB 4.24Å; C249-C254 WeakPolarHBondContact CB-SG 3.39Å; C249-C254 PolarHBondContact O-SG 3.45Å; C249-C254 WeakPolarHBondContact SG-CA 3.27Å; C249-C254 WeakPolarHBondContact SG-CB 3.48Å; C249-C254 CovalentContact SG-SG 2.02Å; C249-C254 PolarHBondContact SG-SG 2.95Å; C249-L257 HydrophobicContact CB-CD1 4.33Å |
| 250 | P | 91.4 | Very high | 88.4 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 26% | 0.26 | 32% | 0.321 | S | S | . | . | trans | -60.2 | 146.6 | 167.9 | -19.3 | 34 | 0 | 0 | 0 | 109.2 | E252 T253 C254 F317 | P250-E252 VanDerWaalsContact C-N 3.25Å; P250-E252 PolarHBondContact O-N 3.39Å; P250-E252 VanDerWaalsContact O-N 3.14Å; P250-T253 CarbonylContact O-C 3.58Å; P250-T253 WeakPolarHBondContact O-CB 2.81Å; P250-T253 PolarHBondContact O-N 3.38Å; P250-C254 PolarHBondContact O-N 3.22Å; P250-C254 PolarHBondContact O-SG 2.79Å; P250-C254 VanDerWaalsContact O-SG 3.42Å; P250-F317 VanDerWaalsContact CD-CE2 3.49Å; P250-F317 HydrophobicContact CG-CE2 4.08Å; P250-F317 HydrophobicContact CG-CZ 3.88Å | ||
| 251 | P | 91.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 73% | 0.734 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.5 | -41.3 | -174.4 | -28.8 | 34.8 | 0 | 0 | 0 | 114 | C254 L255 | P251-C254 PolarHBondContact O-N 2.78Å; P251-L255 WeakPolarHBondContact O-CB 3.16Å; P251-L255 PolarHBondContact O-N 3.04Å |
| 252 | E | 94 | Very high | 89.4 | Confident | 167 Ų | 167 | 68.4 Ų | 68.4 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 177 | -63.9 | -178.3 | 175 | 0 | 0 | 111.8 | P250 L255 Q256 | P250-E252 VanDerWaalsContact C-N 3.25Å; P250-E252 PolarHBondContact O-N 3.39Å; P250-E252 VanDerWaalsContact O-N 3.14Å; E252-L255 PolarHBondContact O-N 2.85Å; E252-Q256 WeakPolarHBondContact O-CB 3.21Å; E252-Q256 PolarHBondContact O-N 2.82Å |
| 253 | T | 94.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.7 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | I221 V222 A225 C249 P250 L255 Q256 L257 | I221-T253 HydrophobicContact CG1-CG2 4.33Å; V222-T253 HydrophobicContact CG2-CG2 4.47Å; A225-T253 HydrophobicContact CB-CG2 3.62Å; C249-T253 HydrophobicContact CB-CG2 4.39Å; P250-T253 CarbonylContact O-C 3.58Å; P250-T253 WeakPolarHBondContact O-CB 2.81Å; P250-T253 PolarHBondContact O-N 3.38Å; T253-L255 VanDerWaalsContact C-N 3.28Å; T253-L255 PolarHBondContact O-N 2.91Å; T253-Q256 WeakPolarHBondContact O-CB 3.44Å; T253-Q256 PolarHBondContact O-N 2.81Å; T253-L257 HydrophobicContact CG2-CD1 4.27Å; T253-L257 HydrophobicContact CG2-CG 4.42Å; T253-L257 WeakPolarHBondContact O-CB 3.46Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3Å; T253-L257 PolarHBondContact O-N 3.32Å |
| 254 | C | 93.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 175.3 | -65 | 0 | 0 | 0 | 0 | 111.4 | F246 C249 P250 P251 L257 T258 | F246-C254 HydrophobicContact CB-CB 4.48Å; C249-C254 VanDerWaalsContact CA-SG 3.52Å; C249-C254 HydrophobicContact CB-CB 4.24Å; C249-C254 WeakPolarHBondContact CB-SG 3.39Å; C249-C254 PolarHBondContact O-SG 3.45Å; C249-C254 WeakPolarHBondContact SG-CA 3.27Å; C249-C254 WeakPolarHBondContact SG-CB 3.48Å; C249-C254 CovalentContact SG-SG 2.02Å; C249-C254 PolarHBondContact SG-SG 2.95Å; P250-C254 PolarHBondContact O-N 3.22Å; P250-C254 PolarHBondContact O-SG 2.79Å; P250-C254 VanDerWaalsContact O-SG 3.42Å; P251-C254 PolarHBondContact O-N 2.78Å; C254-L257 PolarHBondContact O-N 3.42Å; C254-T258 WeakPolarHBondContact O-CB 3.41Å; C254-T258 PolarHBondContact O-N 2.99Å; C254-T258 PolarHBondContact O-OG1 2.75Å |
| 255 | L | 94 | Very high | 91 | Very high | 96 Ų | 96 | 63.6 Ų | 63.6 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 177.9 | -170.8 | 137.9 | 0 | 0 | 0 | 111.3 | P251 E252 T253 R259 | P251-L255 WeakPolarHBondContact O-CB 3.16Å; P251-L255 PolarHBondContact O-N 3.04Å; E252-L255 PolarHBondContact O-N 2.85Å; T253-L255 VanDerWaalsContact C-N 3.28Å; T253-L255 PolarHBondContact O-N 2.91Å; L255-R259 VanDerWaalsContact CD2-CZ 3.49Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 2.8Å |
| 256 | Q | 94.9 | Very high | 91.6 | Very high | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 170.4 | -171.4 | -173.2 | 6.8 | 0 | 0 | 111.9 | A225 D226 E229 E252 T253 T258 R259 A260 | A225-Q256 HydrophobicContact CB-CG 4.27Å; D226-Q256 PolarHBondContact OD1-NE2 2.93Å; E229-Q256 WeakPolarHBondContact OE2-CG 3.48Å; E229-Q256 PolarHBondContact OE2-NE2 3.08Å; E252-Q256 WeakPolarHBondContact O-CB 3.21Å; E252-Q256 PolarHBondContact O-N 2.82Å; T253-Q256 WeakPolarHBondContact O-CB 3.44Å; T253-Q256 PolarHBondContact O-N 2.81Å; Q256-T258 VanDerWaalsContact C-N 3.29Å; Q256-T258 PolarHBondContact O-N 2.78Å; Q256-R259 WeakPolarHBondContact O-CB 3.25Å; Q256-R259 PolarHBondContact O-N 3.09Å; Q256-R259 VanDerWaalsContact O-N 3.16Å; Q256-A260 WeakPolarHBondContact O-CB 3.34Å; Q256-A260 PolarHBondContact O-N 3.07Å |
| 257 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 176.3 | -73.6 | 168.9 | 0 | 0 | 0 | 111.9 | I221 A225 L228 F246 C249 T253 C254 A260 V261 | I221-L257 HydrophobicContact CD1-CD1 3.73Å; I221-L257 HydrophobicContact CD1-CD2 4.41Å; I221-L257 HydrophobicContact CG1-CD1 3.86Å; A225-L257 HydrophobicContact CB-CD2 3.74Å; A225-L257 HydrophobicContact CB-CG 3.9Å; L228-L257 HydrophobicContact CD1-CD2 3.45Å; L228-L257 VanDerWaalsContact CD1-CD2 3.45Å; F246-L257 HydrophobicContact CD1-CD1 4.2Å; F246-L257 HydrophobicContact CD2-CB 3.8Å; F246-L257 HydrophobicContact CE1-CD1 4.48Å; F246-L257 HydrophobicContact CE2-CB 3.71Å; F246-L257 HydrophobicContact CG-CB 4.22Å; F246-L257 HydrophobicContact CG-CD1 4.27Å; F246-L257 HydrophobicContact CZ-CB 4.05Å; C249-L257 HydrophobicContact CB-CD1 4.33Å; T253-L257 HydrophobicContact CG2-CD1 4.27Å; T253-L257 HydrophobicContact CG2-CG 4.42Å; T253-L257 WeakPolarHBondContact O-CB 3.46Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3Å; T253-L257 PolarHBondContact O-N 3.32Å; C254-L257 PolarHBondContact O-N 3.42Å; L257-A260 PolarHBondContact O-N 3.19Å; L257-V261 WeakPolarHBondContact O-CB 3.43Å; L257-V261 WeakPolarHBondContact O-CG2 3.46Å; L257-V261 PolarHBondContact O-N 3.29Å |
| 258 | T | 93.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 61.2 Ų | 61.2 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | C254 Q256 V261 Q262 | C254-T258 WeakPolarHBondContact O-CB 3.41Å; C254-T258 PolarHBondContact O-N 2.99Å; C254-T258 PolarHBondContact O-OG1 2.75Å; Q256-T258 VanDerWaalsContact C-N 3.29Å; Q256-T258 PolarHBondContact O-N 2.78Å; T258-V261 PolarHBondContact O-N 3.36Å; T258-Q262 WeakPolarHBondContact O-CB 3.39Å; T258-Q262 VanDerWaalsContact O-CG 3.24Å; T258-Q262 WeakPolarHBondContact O-CG 3.48Å; T258-Q262 PolarHBondContact O-N 2.82Å |
| 259 | R | 93.5 | Very high | 93 | Very high | 130 Ų | 130 | 60.2 Ų | 60.2 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.3 | -76.8 | -171.4 | -96.2 | 150.1 | -14.8 | 112.5 | L255 Q256 Q262 S263 | L255-R259 VanDerWaalsContact CD2-CZ 3.49Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 2.8Å; Q256-R259 WeakPolarHBondContact O-CB 3.25Å; Q256-R259 PolarHBondContact O-N 3.09Å; Q256-R259 VanDerWaalsContact O-N 3.16Å; R259-Q262 PolarHBondContact O-N 2.75Å; R259-S263 WeakPolarHBondContact O-CB 3.44Å; R259-S263 PolarHBondContact O-N 2.78Å; R259-S263 PolarHBondContact O-OG 3.4Å |
| 260 | A | 93.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L228 E229 Q256 L257 S263 K264 | L228-A260 HydrophobicContact CB-CB 4.01Å; E229-A260 HydrophobicContact CB-CB 4.34Å; Q256-A260 WeakPolarHBondContact O-CB 3.34Å; Q256-A260 PolarHBondContact O-N 3.07Å; L257-A260 PolarHBondContact O-N 3.19Å; A260-S263 PolarHBondContact O-N 3.31Å; A260-S263 PolarHBondContact O-OG 2.97Å; A260-K264 WeakPolarHBondContact O-CB 3.28Å; A260-K264 PolarHBondContact O-N 3.03Å |
| 261 | V | 93.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.3 | 164.4 | 0 | 0 | 0 | 0 | 112.3 | L235 A241 L244 F246 L257 T258 G265 I266 | L235-V261 HydrophobicContact CB-CG2 4.47Å; L235-V261 HydrophobicContact CD2-CG2 4.11Å; A241-V261 HydrophobicContact CB-CG1 4.03Å; L244-V261 HydrophobicContact CD2-CG1 4.25Å; L244-V261 HydrophobicContact CD2-CG2 4.18Å; F246-V261 HydrophobicContact CE2-CG2 3.89Å; F246-V261 HydrophobicContact CZ-CG2 3.74Å; L257-V261 WeakPolarHBondContact O-CB 3.43Å; L257-V261 WeakPolarHBondContact O-CG2 3.46Å; L257-V261 PolarHBondContact O-N 3.29Å; T258-V261 PolarHBondContact O-N 3.36Å; V261-G265 WeakPolarHBondContact O-CA 3.48Å; V261-G265 PolarHBondContact O-N 2.85Å; V261-I266 HydrophobicContact CB-CG2 4.45Å; V261-I266 HydrophobicContact CG1-CG2 3.51Å; V261-I266 HydrophobicContact CG2-CG2 4.24Å |
| 262 | Q | 91.9 | Very high | 92.2 | Very high | 148 Ų | 148 | 62.8 Ų | 62.8 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -39 | 178.3 | -74.7 | 173.8 | -7.1 | 0 | 0 | 112.3 | T258 R259 | T258-Q262 WeakPolarHBondContact O-CB 3.39Å; T258-Q262 VanDerWaalsContact O-CG 3.24Å; T258-Q262 WeakPolarHBondContact O-CG 3.48Å; T258-Q262 PolarHBondContact O-N 2.82Å; R259-Q262 PolarHBondContact O-N 2.75Å |
| 263 | S | 92.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 56 Ų | 56 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -80.7 | -42.6 | -176.6 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | R259 A260 | R259-S263 WeakPolarHBondContact O-CB 3.44Å; R259-S263 PolarHBondContact O-N 2.78Å; R259-S263 PolarHBondContact O-OG 3.4Å; A260-S263 PolarHBondContact O-N 3.31Å; A260-S263 PolarHBondContact O-OG 2.97Å |
| 264 | K | 91.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -97.3 | -13.9 | -176.3 | -55.6 | -62.5 | -173.6 | 173.1 | 0 | 113.7 | E229 R234 A260 | E229-K264 VanDerWaalsContact O-CE 3.29Å; E229-K264 WeakPolarHBondContact O-CE 3.34Å; R234-K264 PolarHBondContact NH2-O 2.92Å; A260-K264 WeakPolarHBondContact O-CB 3.28Å; A260-K264 PolarHBondContact O-N 3.03Å |
| 265 | G | 91.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | 70.5 | 159.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R234 V261 | R234-G265 PolarHBondContact NE-O 2.76Å; R234-G265 PolarHBondContact NH2-O 2.82Å; V261-G265 WeakPolarHBondContact O-CA 3.48Å; V261-G265 PolarHBondContact O-N 2.85Å | ||
| 266 | I | 93.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | trans | -90.1 | 159.8 | 174 | 66.4 | 173.3 | 0 | 0 | 0 | 112.2 | R234 L235 H237 H239 A241 V261 | R234-I266 PolarHBondContact NH2-O 3.34Å; L235-I266 HydrophobicContact CB-CG2 4.45Å; L235-I266 HydrophobicContact CD2-CG2 4.4Å; H237-I266 HydrophobicContact CB-CD1 4.45Å; H239-I266 WeakPolarHBondContact O-CD1 2.89Å; A241-I266 HydrophobicContact CB-CD1 4.08Å; A241-I266 HydrophobicContact CB-CG1 4.11Å; A241-I266 HydrophobicContact CB-CG2 4.12Å; A241-I266 VanDerWaalsContact N-CD1 3.31Å; V261-I266 HydrophobicContact CB-CG2 4.45Å; V261-I266 HydrophobicContact CG1-CG2 3.51Å; V261-I266 HydrophobicContact CG2-CG2 4.24Å | ||
| 267 | Y | 94.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 103 | 160 | -165.9 | -78.3 | 0 | 0 | 0 | 108.6 | L235 L236 H237 V269 L287 | L235-Y267 PolarHBondContact O-N 3.41Å; L236-Y267 HydrophobicContact CD1-CD1 3.43Å; L236-Y267 VanDerWaalsContact CD1-CD1 3.43Å; L236-Y267 HydrophobicContact CD1-CE1 4.17Å; L236-Y267 HydrophobicContact CD1-CG 4.23Å; H237-Y267 PolarHBondContact N-O 2.88Å; H237-Y267 VanDerWaalsContact N-O 3.08Å; Y267-V269 HydrophobicContact CD1-CG2 3.85Å; Y267-V269 HydrophobicContact CE1-CG2 3.78Å; Y267-L287 HydrophobicContact CD1-CD1 3.9Å; Y267-L287 HydrophobicContact CD2-CD1 3.88Å; Y267-L287 HydrophobicContact CD2-CD2 3.94Å; Y267-L287 HydrophobicContact CE1-CD1 4.18Å; Y267-L287 HydrophobicContact CE2-CD1 4.18Å; Y267-L287 HydrophobicContact CG-CD1 3.72Å; Y267-L287 HydrophobicContact CG-CD2 3.89Å; Y267-L287 HydrophobicContact CG-CG 4.5Å |
| 268 | Y | 92.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 40% | 0.404 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.9 | -177.8 | 176.2 | -107.1 | 0 | 0 | 0 | 111.4 | H237 Y238 P240 N270 | H237-Y268 WeakPolarHBondContact O-CA 2.77Å; Y238-Y268 VanDerWaalsContact O-CE2 3.3Å; Y238-Y268 WeakPolarHBondContact O-CE2 3.27Å; P240-Y268 HydrophobicContact CG-CE2 3.98Å; Y268-N270 HydrophobicContact CE1-CB 3.83Å; Y268-N270 PolarHBondContact OH-OD1 2.82Å |
| 269 | V | 91.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | trans | -117.6 | 116.5 | 171.5 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | L236 H237 Y238 Y267 D271 R276 L277 | L236-V269 HydrophobicContact CD1-CG2 3.43Å; L236-V269 VanDerWaalsContact CD1-CG2 3.43Å; H237-V269 PolarHBondContact O-N 3.22Å; H237-V269 VanDerWaalsContact O-N 3.11Å; Y238-V269 WeakPolarHBondContact CA-O 3.38Å; Y238-V269 WeakPolarHBondContact CB-O 3.32Å; Y267-V269 HydrophobicContact CD1-CG2 3.85Å; Y267-V269 HydrophobicContact CE1-CG2 3.78Å; V269-D271 WeakPolarHBondContact CG1-O 3.04Å; V269-D271 PolarHBondContact O-N 2.61Å; V269-R276 HydrophobicContact CG1-CB 4.3Å; V269-L277 HydrophobicContact CB-CD2 3.99Å; V269-L277 HydrophobicContact CG1-CD2 4.28Å; V269-L277 HydrophobicContact CG2-CD2 4.37Å | ||
| 270 | N | 85.5 | Confident | 92 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -67 | -24.8 | -175.4 | -162.5 | 39 | 0 | 0 | 0 | 113.4 | Y268 | Y268-N270 HydrophobicContact CE1-CB 3.83Å; Y268-N270 PolarHBondContact OH-OD1 2.82Å |
| 271 | D | 85.8 | Confident | 92.2 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | trans | -94.1 | 119.5 | 175.9 | -176 | 6.6 | 0 | 0 | 0 | 110.4 | V269 S273 R276 | V269-D271 WeakPolarHBondContact CG1-O 3.04Å; V269-D271 PolarHBondContact O-N 2.61Å; D271-S273 PolarHBondContact O-N 3.3Å; D271-S273 VanDerWaalsContact OD1-CB 3.24Å; D271-S273 WeakPolarHBondContact OD1-CB 2.87Å; D271-S273 PolarHBondContact OD1-N 3.28Å; D271-S273 PolarHBondContact OD1-OG 3.08Å; D271-S273 WeakPolarHBondContact OD2-CB 3.38Å; D271-S273 PolarHBondContact OD2-OG 2.83Å; D271-R276 HydrophobicContact CB-CB 4.22Å; D271-R276 HydrophobicContact CB-CG 4.03Å; D271-R276 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 272 | S | 85.3 | Confident | 92.3 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | trans | -76.7 | -4.6 | 176.8 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | K58 L277 | K58-S272 PolarHBondContact NZ-OG 2.89Å; S272-L277 WeakPolarHBondContact O-CD1 3.34Å | ||
| 273 | S | 88.1 | Confident | 92.5 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | trans | -58.8 | 142.4 | -176.2 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | D271 H275 R276 L277 | D271-S273 PolarHBondContact O-N 3.3Å; D271-S273 VanDerWaalsContact OD1-CB 3.24Å; D271-S273 WeakPolarHBondContact OD1-CB 2.87Å; D271-S273 PolarHBondContact OD1-N 3.28Å; D271-S273 PolarHBondContact OD1-OG 3.08Å; D271-S273 WeakPolarHBondContact OD2-CB 3.38Å; D271-S273 PolarHBondContact OD2-OG 2.83Å; S273-H275 PolarHBondContact O-N 2.92Å; S273-R276 PolarHBondContact O-N 3.5Å; S273-R276 PolarHBondContact OG-N 2.6Å; S273-L277 PolarHBondContact O-N 3.15Å | ||
| 274 | P | 90.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 52 Ų | 52 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -35.9 | -174.9 | -21.6 | 37.6 | 0 | 0 | 0 | 109.9 | D14 R276 L277 L278 Y299 | D14-P274 HydrophobicContact CB-CG 3.82Å; D14-P274 VanDerWaalsContact CG-CD 3.49Å; D14-P274 WeakPolarHBondContact OD2-CD 3.48Å; D14-P274 WeakPolarHBondContact OD2-CG 3.29Å; P274-R276 PolarHBondContact O-N 3.34Å; P274-L277 PolarHBondContact O-N 3.25Å; P274-L278 VanDerWaalsContact O-CB 3.26Å; P274-L278 WeakPolarHBondContact O-CB 3.47Å; P274-L278 WeakPolarHBondContact O-CG 3.3Å; P274-L278 PolarHBondContact O-N 3.16Å; P274-Y299 HydrophobicContact CB-CD1 3.7Å; P274-Y299 HydrophobicContact CB-CD2 4.07Å; P274-Y299 HydrophobicContact CB-CE1 4.13Å; P274-Y299 HydrophobicContact CB-CE2 4.45Å; P274-Y299 HydrophobicContact CB-CG 3.68Å; P274-Y299 HydrophobicContact CG-CD1 3.7Å; P274-Y299 HydrophobicContact CG-CE1 3.72Å; P274-Y299 HydrophobicContact CG-CG 4.2Å |
| 275 | H | 93.4 | Very high | 92.6 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 179.6 | -172.7 | 77 | 0 | 0 | 0 | 112.3 | S273 Q279 F303 | S273-H275 PolarHBondContact O-N 2.92Å; H275-Q279 VanDerWaalsContact O-CB 3.24Å; H275-Q279 WeakPolarHBondContact O-CB 3.37Å; H275-Q279 PolarHBondContact O-N 3.03Å; H275-F303 AromaticContact CE1-CE2 3.85Å; H275-F303 AromaticContact ND1-CD2 3.7Å; H275-F303 AromaticContact ND1-CE2 3.43Å; H275-F303 WeakPolarHBondContact ND1-CE2 3.31Å |
| 276 | R | 93.4 | Very high | 92.8 | Very high | 147 Ų | 147 | 53 Ų | 53 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.6 | -45.4 | 178.9 | -74.5 | -60 | -168.9 | 170.7 | -0.1 | 112.3 | V269 D271 S273 P274 L278 Q279 S280 | V269-R276 HydrophobicContact CG1-CB 4.3Å; D271-R276 HydrophobicContact CB-CB 4.22Å; D271-R276 HydrophobicContact CB-CG 4.03Å; D271-R276 WeakPolarHBondContact OD2-CG 3.46Å; S273-R276 PolarHBondContact O-N 3.5Å; S273-R276 PolarHBondContact OG-N 2.6Å; P274-R276 PolarHBondContact O-N 3.34Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-L278 PolarHBondContact O-N 3.2Å; R276-Q279 PolarHBondContact O-N 2.69Å; R276-S280 PolarHBondContact O-N 3.01Å; R276-S280 PolarHBondContact O-OG 3.19Å |
| 277 | L | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 177.8 | -67.3 | 173.4 | 0 | 0 | 0 | 111.4 | L236 Y238 V269 S272 S273 P274 S280 L281 Y299 | L236-L277 HydrophobicContact CD2-CD2 4.42Å; L236-L277 WeakPolarHBondContact CD2-O 3.49Å; L236-L277 HydrophobicContact CG-CD2 4.37Å; Y238-L277 HydrophobicContact CD1-CD1 4.4Å; V269-L277 HydrophobicContact CB-CD2 3.99Å; V269-L277 HydrophobicContact CG1-CD2 4.28Å; V269-L277 HydrophobicContact CG2-CD2 4.37Å; S272-L277 WeakPolarHBondContact O-CD1 3.34Å; S273-L277 PolarHBondContact O-N 3.15Å; P274-L277 PolarHBondContact O-N 3.25Å; L277-S280 PolarHBondContact O-N 3.22Å; L277-L281 PolarHBondContact O-N 2.93Å; L277-Y299 HydrophobicContact CD1-CE2 4.3Å |
| 278 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -36.3 | -180 | -66 | -165.5 | 0 | 0 | 0 | 112.7 | L113 P274 R276 L281 I282 L300 F303 L309 | L113-L278 HydrophobicContact CD2-CD2 3.14Å; P274-L278 VanDerWaalsContact O-CB 3.26Å; P274-L278 WeakPolarHBondContact O-CB 3.47Å; P274-L278 WeakPolarHBondContact O-CG 3.3Å; P274-L278 PolarHBondContact O-N 3.16Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-L278 PolarHBondContact O-N 3.2Å; L278-L281 HydrophobicContact CD2-CD1 4.07Å; L278-L281 PolarHBondContact O-N 3.48Å; L278-I282 PolarHBondContact O-N 3.25Å; L278-L300 HydrophobicContact CD1-CD2 4.47Å; L278-F303 HydrophobicContact CB-CD1 4.15Å; L278-F303 HydrophobicContact CB-CD2 3.95Å; L278-F303 HydrophobicContact CB-CE1 4.01Å; L278-F303 HydrophobicContact CB-CE2 3.81Å; L278-F303 HydrophobicContact CB-CG 4.13Å; L278-F303 HydrophobicContact CB-CZ 3.85Å; L278-F303 HydrophobicContact CD1-CB 3.49Å; L278-F303 VanDerWaalsContact CD1-CB 3.49Å; L278-F303 HydrophobicContact CD1-CD1 3.83Å; L278-F303 HydrophobicContact CD1-CD2 3.9Å; L278-F303 HydrophobicContact CD1-CG 3.48Å; L278-F303 VanDerWaalsContact CD1-CG 3.48Å; L278-F303 HydrophobicContact CG-CG 4.45Å; L278-L309 HydrophobicContact CB-CD1 4.03Å; L278-L309 HydrophobicContact CD1-CD1 4.06Å; L278-L309 HydrophobicContact CD2-CD1 3.99Å; L278-L309 HydrophobicContact CG-CD1 4.23Å |
| 279 | Q | 96.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 174.6 | -170.9 | 59.6 | 48 | 0 | 0 | 111.2 | H275 R276 L281 I282 D283 | H275-Q279 VanDerWaalsContact O-CB 3.24Å; H275-Q279 WeakPolarHBondContact O-CB 3.37Å; H275-Q279 PolarHBondContact O-N 3.03Å; R276-Q279 PolarHBondContact O-N 2.69Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.04Å; Q279-I282 PolarHBondContact O-N 3.44Å; Q279-D283 PolarHBondContact NE2-OD1 3.35Å; Q279-D283 PolarHBondContact O-N 3.39Å |
| 280 | S | 96.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -36.4 | 176.1 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | R276 L277 D283 N284 | R276-S280 PolarHBondContact O-N 3.01Å; R276-S280 PolarHBondContact O-OG 3.19Å; L277-S280 PolarHBondContact O-N 3.22Å; S280-D283 PolarHBondContact O-N 2.87Å; S280-N284 PolarHBondContact O-N 3.31Å; S280-N284 PolarHBondContact O-ND2 3.45Å |
| 281 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 172.4 | -69.2 | 174.3 | 0 | 0 | 0 | 112.4 | L113 K115 L236 L277 L278 Q279 L287 L289 L309 | L113-L281 HydrophobicContact CB-CD1 3.98Å; L113-L281 HydrophobicContact CD2-CD1 3.77Å; L113-L281 HydrophobicContact CG-CD1 3.88Å; K115-L281 WeakPolarHBondContact CB-O 3.38Å; L236-L281 HydrophobicContact CB-CD2 4.37Å; L236-L281 HydrophobicContact CD2-CD1 4.37Å; L236-L281 HydrophobicContact CD2-CD2 3.56Å; L236-L281 HydrophobicContact CD2-CG 3.56Å; L277-L281 PolarHBondContact O-N 2.93Å; L278-L281 HydrophobicContact CD2-CD1 4.07Å; L278-L281 PolarHBondContact O-N 3.48Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.04Å; L281-L287 HydrophobicContact CD2-CB 3.74Å; L281-L289 HydrophobicContact CD1-CB 3.92Å; L281-L289 HydrophobicContact CD1-CD2 4.39Å; L281-L289 HydrophobicContact CD2-CB 4.24Å; L281-L309 HydrophobicContact CB-CD2 3.71Å; L281-L309 HydrophobicContact CD1-CD2 4.09Å |
| 282 | I | 95.8 | Very high | 94 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71 | -38.5 | 178.8 | -71.4 | 173.7 | 0 | 0 | 0 | 111.2 | K115 L278 Q279 N284 F303 Q305 K308 L309 | K115-I282 WeakPolarHBondContact CD-O 3.32Å; K115-I282 VanDerWaalsContact CE-O 3.27Å; K115-I282 WeakPolarHBondContact CE-O 3.19Å; K115-I282 PolarHBondContact NZ-O 3.31Å; L278-I282 PolarHBondContact O-N 3.25Å; Q279-I282 PolarHBondContact O-N 3.44Å; I282-N284 VanDerWaalsContact C-N 3.25Å; I282-N284 PolarHBondContact O-N 3.47Å; I282-F303 HydrophobicContact CD1-CE1 3.52Å; I282-F303 HydrophobicContact CD1-CZ 3.91Å; I282-Q305 HydrophobicContact CD1-CB 3.85Å; I282-K308 HydrophobicContact CD1-CB 4.12Å; I282-K308 HydrophobicContact CD1-CD 4.22Å; I282-K308 HydrophobicContact CG1-CB 4.25Å; I282-K308 HydrophobicContact CG2-CD 4.15Å; I282-L309 HydrophobicContact CD1-CD1 4.46Å; I282-L309 HydrophobicContact CD1-CG 4.34Å; I282-L309 HydrophobicContact CG1-CD2 3.91Å; I282-L309 HydrophobicContact CG1-CG 4.16Å |
| 283 | D | 95.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 36.3 Ų | 36.3 | 54% | 0.54 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70.7 | -24.1 | -177.7 | -62.4 | -18.4 | 0 | 0 | 0 | 111.8 | Q279 S280 | Q279-D283 PolarHBondContact NE2-OD1 3.35Å; Q279-D283 PolarHBondContact O-N 3.39Å; S280-D283 PolarHBondContact O-N 2.87Å |
| 284 | N | 95.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 36 Ų | 36 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | trans | -128.6 | 119.3 | -175.4 | -59.5 | -89.9 | 0 | 0 | 0 | 112.1 | S280 I282 N286 L287 | S280-N284 PolarHBondContact O-N 3.31Å; S280-N284 PolarHBondContact O-ND2 3.45Å; I282-N284 VanDerWaalsContact C-N 3.25Å; I282-N284 PolarHBondContact O-N 3.47Å; N284-N286 PolarHBondContact O-N 2.71Å; N284-L287 HydrophobicContact CB-CB 4.43Å; N284-L287 HydrophobicContact CB-CD1 3.54Å; N284-L287 HydrophobicContact CB-CG 3.56Å | ||
| 285 | N | 93 | Very high | 94.5 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 49% | 0.492 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16 | -175.6 | -63.2 | -5.9 | 0 | 0 | 0 | 114.4 | K115 | K115-N285 WeakPolarHBondContact CD-OD1 3.43Å; K115-N285 WeakPolarHBondContact CE-OD1 3.39Å; K115-N285 PolarHBondContact NZ-OD1 2.71Å |
| 286 | N | 95 | Very high | 94.5 | Very high | 59 Ų | 59 | 31 Ų | 31 | 32% | 0.316 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 14.2 | -172.7 | 67.3 | -24.4 | 0 | 0 | 0 | 113.5 | E232 Y233 R234 N284 | E232-N286 WeakPolarHBondContact O-CB 3.49Å; Y233-N286 CarbonylContact C-O 3.53Å; Y233-N286 VanDerWaalsContact CA-O 3.29Å; Y233-N286 WeakPolarHBondContact CA-O 3.5Å; Y233-N286 WeakPolarHBondContact CD1-O 3.44Å; R234-N286 PolarHBondContact N-O 2.92Å; N284-N286 PolarHBondContact O-N 2.71Å |
| 287 | L | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.2 | 179.1 | -63 | -173.9 | 0 | 0 | 0 | 111.7 | R234 L236 Y267 L281 N284 | R234-L287 HydrophobicContact CB-CD2 3.98Å; R234-L287 WeakPolarHBondContact O-CA 3.43Å; L236-L287 HydrophobicContact CB-CB 4.37Å; L236-L287 HydrophobicContact CD1-CD1 4.28Å; Y267-L287 HydrophobicContact CD1-CD1 3.9Å; Y267-L287 HydrophobicContact CD2-CD1 3.88Å; Y267-L287 HydrophobicContact CD2-CD2 3.94Å; Y267-L287 HydrophobicContact CE1-CD1 4.18Å; Y267-L287 HydrophobicContact CE2-CD1 4.18Å; Y267-L287 HydrophobicContact CG-CD1 3.72Å; Y267-L287 HydrophobicContact CG-CD2 3.89Å; Y267-L287 HydrophobicContact CG-CG 4.5Å; L281-L287 HydrophobicContact CD2-CB 3.74Å; N284-L287 HydrophobicContact CB-CB 4.43Å; N284-L287 HydrophobicContact CB-CD1 3.54Å; N284-L287 HydrophobicContact CB-CG 3.56Å |
| 288 | V | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.3 | 173.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | F112 I114 F218 L224 Y233 R234 L236 I290 | F112-V288 HydrophobicContact CB-CG1 4.01Å; I114-V288 HydrophobicContact CG2-CB 4.08Å; I114-V288 HydrophobicContact CG2-CG1 3.86Å; I114-V288 HydrophobicContact CG2-CG2 3.68Å; F218-V288 HydrophobicContact CE1-CG2 4.36Å; F218-V288 HydrophobicContact CZ-CG1 4.09Å; F218-V288 HydrophobicContact CZ-CG2 4.32Å; L224-V288 HydrophobicContact CD1-CB 4.37Å; L224-V288 HydrophobicContact CD1-CG1 4.17Å; L224-V288 HydrophobicContact CD1-CG2 3.89Å; L224-V288 HydrophobicContact CD2-CG1 4.01Å; Y233-V288 HydrophobicContact CD1-CG2 3.28Å; Y233-V288 HydrophobicContact CE1-CG2 4.04Å; Y233-V288 HydrophobicContact CG-CG2 3.8Å; R234-V288 PolarHBondContact O-N 3.01Å; L236-V288 WeakPolarHBondContact CB-O 3.28Å; L236-V288 PolarHBondContact N-O 2.86Å; V288-I290 HydrophobicContact CG1-CG1 4.41Å |
| 289 | L | 96 | Very high | 94.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.9 | 168.5 | 178.9 | 65.5 | 0 | 0 | 0 | 109 | F112 L113 L236 L281 L296 Y299 | F112-L289 CarbonylContact C-O 3.54Å; F112-L289 WeakPolarHBondContact CA-O 3.29Å; L113-L289 HydrophobicContact CB-CB 4.23Å; L113-L289 PolarHBondContact N-O 2.87Å; L113-L289 PolarHBondContact O-N 2.98Å; L236-L289 HydrophobicContact CD2-CB 4.36Å; L281-L289 HydrophobicContact CD1-CB 3.92Å; L281-L289 HydrophobicContact CD1-CD2 4.39Å; L281-L289 HydrophobicContact CD2-CB 4.24Å; L289-L296 HydrophobicContact CD2-CD2 3.7Å; L289-L296 HydrophobicContact CG-CD2 4.11Å; L289-Y299 HydrophobicContact CD2-CD2 4.47Å |
| 290 | I | 94.4 | Very high | 94 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | 176.2 | -52.4 | -179.3 | 0 | 0 | 0 | 108.3 | Q110 F112 I221 L224 L235 F246 V288 | Q110-I290 HydrophobicContact CG-CG2 4.08Å; F112-I290 HydrophobicContact CD1-CB 4.37Å; F112-I290 HydrophobicContact CD1-CG1 3.91Å; F112-I290 HydrophobicContact CD1-CG2 4.1Å; F112-I290 HydrophobicContact CE1-CD1 4.44Å; F112-I290 HydrophobicContact CE1-CG1 4.26Å; F112-I290 HydrophobicContact CE1-CG2 4Å; I221-I290 HydrophobicContact CD1-CD1 4.29Å; L224-I290 HydrophobicContact CD2-CD1 3.9Å; L224-I290 HydrophobicContact CD2-CG1 4.22Å; L235-I290 HydrophobicContact CD1-CB 4.28Å; L235-I290 HydrophobicContact CD1-CD1 3.54Å; L235-I290 HydrophobicContact CD1-CG1 3.53Å; F246-I290 HydrophobicContact CE1-CD1 4.27Å; V288-I290 HydrophobicContact CG1-CG1 4.41Å |
| 291 | S | 92.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 23% | 0.231 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | -163.4 | 171.7 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | A111 T295 | A111-S291 PolarHBondContact N-O 2.88Å; A111-S291 PolarHBondContact O-N 2.96Å; A111-S291 VanDerWaalsContact O-N 3.08Å; S291-T295 WeakPolarHBondContact OG-CG2 3.17Å |
| 292 | T | 91.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 152.8 | 175.5 | 87.4 | 0 | 0 | 0 | 0 | 111.1 | Y90 S108 Y109 I294 T295 L296 | Y90-T292 HydrophobicContact CE1-CG2 3.57Å; Y90-T292 VanDerWaalsContact CZ-CG2 3.47Å; Y90-T292 WeakPolarHBondContact OH-CG2 3.38Å; S108-T292 VanDerWaalsContact OG-CB 3.25Å; S108-T292 WeakPolarHBondContact OG-CB 3.35Å; S108-T292 PolarHBondContact OG-OG1 2.89Å; Y109-T292 CarbonylContact O-C 3.59Å; Y109-T292 WeakPolarHBondContact O-CA 3.32Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 3.19Å; T292-T295 PolarHBondContact O-N 3.12Å; T292-T295 VanDerWaalsContact O-N 3.16Å; T292-T295 PolarHBondContact OG1-N 2.93Å; T292-T295 VanDerWaalsContact OG1-N 3.12Å; T292-T295 PolarHBondContact OG1-OG1 3.16Å; T292-L296 WeakPolarHBondContact O-CG 3.25Å; T292-L296 PolarHBondContact O-N 3.01Å |
| 293 | E | 92.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -51.8 | -48.4 | 176.4 | -178.2 | 175.8 | -159 | 0 | 0 | 111 | Y109 A111 T295 L296 E297 R313 K363 | Y109-E293 PolarHBondContact O-N 3.38Å; A111-E293 HydrophobicContact CB-CB 4.01Å; E293-T295 PolarHBondContact O-N 3.39Å; E293-L296 PolarHBondContact O-N 3.1Å; E293-E297 WeakPolarHBondContact CG-OE1 3.44Å; E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 WeakPolarHBondContact O-CG 3.32Å; E293-E297 PolarHBondContact O-N 3.22Å; E293-R313 WeakPolarHBondContact OE2-CD 3.43Å; E293-R313 IonicContact OE2-CZ 2.76Å; E293-R313 IonicContact OE2-NE 2.73Å; E293-R313 IonicContact OE2-NH1 3.2Å; E293-R313 PolarHBondContact OE2-NH1 3.37Å; E293-K363 IonicContact OE1-NZ 3.32Å; E293-K363 PolarHBondContact OE1-NZ 2.98Å |
| 294 | I | 91.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 179.9 | -64.1 | 171.3 | 0 | 0 | 0 | 111.6 | W106 S108 T292 E297 F298 L350 | W106-I294 HydrophobicContact CD2-CD1 4.5Å; W106-I294 HydrophobicContact CG-CD1 4.08Å; S108-I294 WeakPolarHBondContact OG-CG1 3.46Å; S108-I294 PolarHBondContact OG-N 2.85Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 3.19Å; I294-E297 PolarHBondContact O-N 3.42Å; I294-F298 PolarHBondContact O-N 3.19Å; I294-L350 HydrophobicContact CD1-CD2 3.8Å; I294-L350 HydrophobicContact CG1-CD2 4.22Å; I294-L350 HydrophobicContact CG2-CD1 3.76Å; I294-L350 HydrophobicContact CG2-CD2 4.07Å; I294-L350 HydrophobicContact CG2-CG 4.46Å |
| 295 | T | 91.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 34 Ų | 34 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | S291 T292 E293 F298 Y299 | S291-T295 WeakPolarHBondContact OG-CG2 3.17Å; T292-T295 PolarHBondContact O-N 3.12Å; T292-T295 VanDerWaalsContact O-N 3.16Å; T292-T295 PolarHBondContact OG1-N 2.93Å; T292-T295 VanDerWaalsContact OG1-N 3.12Å; T292-T295 PolarHBondContact OG1-OG1 3.16Å; E293-T295 PolarHBondContact O-N 3.39Å; T295-F298 WeakPolarHBondContact O-CB 3.14Å; T295-F298 PolarHBondContact O-N 2.9Å; T295-Y299 HydrophobicContact CG2-CD1 4.48Å; T295-Y299 HydrophobicContact CG2-CE1 3.91Å; T295-Y299 HydrophobicContact CG2-CE2 4.26Å; T295-Y299 VanDerWaalsContact O-CD1 3.31Å; T295-Y299 WeakPolarHBondContact O-CD1 3.47Å; T295-Y299 PolarHBondContact O-N 3.27Å |
| 296 | L | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 179.2 | -64.9 | 177.5 | 0 | 0 | 0 | 111.9 | A111 L113 L289 T292 E293 F298 Y299 L300 L311 | A111-L296 HydrophobicContact CB-CD1 3.86Å; A111-L296 WeakPolarHBondContact O-CD1 3.45Å; L113-L296 HydrophobicContact CB-CD1 4.11Å; L113-L296 HydrophobicContact CB-CD2 4.15Å; L113-L296 HydrophobicContact CD2-CD2 4.31Å; L289-L296 HydrophobicContact CD2-CD2 3.7Å; L289-L296 HydrophobicContact CG-CD2 4.11Å; T292-L296 WeakPolarHBondContact O-CG 3.25Å; T292-L296 PolarHBondContact O-N 3.01Å; E293-L296 PolarHBondContact O-N 3.1Å; L296-F298 VanDerWaalsContact C-N 3.32Å; L296-F298 PolarHBondContact O-N 3.38Å; L296-Y299 HydrophobicContact CD2-CD2 4.41Å; L296-Y299 PolarHBondContact O-N 3.44Å; L296-L300 WeakPolarHBondContact O-CB 3.35Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.3Å; L296-L300 PolarHBondContact O-N 3.38Å; L296-L311 HydrophobicContact CB-CD1 3.7Å; L296-L311 HydrophobicContact CD1-CD1 3.65Å; L296-L311 HydrophobicContact CG-CD1 4.34Å |
| 297 | E | 92.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 173.7 | -78.6 | -172.3 | -139.2 | 0 | 0 | 112.4 | E293 I294 Y299 L300 S301 L311 V354 S356 T359 K363 | E293-E297 WeakPolarHBondContact CG-OE1 3.44Å; E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 WeakPolarHBondContact O-CG 3.32Å; E293-E297 PolarHBondContact O-N 3.22Å; I294-E297 PolarHBondContact O-N 3.42Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; E297-L300 PolarHBondContact O-N 3.2Å; E297-S301 WeakPolarHBondContact O-CB 3.27Å; E297-S301 PolarHBondContact O-N 2.98Å; E297-L311 HydrophobicContact CG-CD2 3.73Å; E297-V354 HydrophobicContact CB-CG1 3.47Å; E297-V354 VanDerWaalsContact CB-CG1 3.47Å; E297-V354 HydrophobicContact CG-CG1 4.36Å; E297-V354 VanDerWaalsContact OE2-CG1 3.27Å; E297-V354 WeakPolarHBondContact OE2-CG1 3.11Å; E297-S356 PolarHBondContact OE2-OG 2.97Å; E297-T359 HydrophobicContact CB-CG2 4.32Å; E297-T359 HydrophobicContact CG-CG2 4.28Å; E297-T359 PolarHBondContact OE2-OG1 3.31Å; E297-K363 WeakPolarHBondContact OE1-CE 3.43Å; E297-K363 IonicContact OE1-NZ 3.96Å; E297-K363 PolarHBondContact OE1-NZ 3.12Å |
| 298 | F | 91.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 173.8 | -173.6 | -85.9 | 0 | 0 | 0 | 111.9 | Q15 I294 T295 L296 L300 S301 K302 Y353 V354 | Q15-F298 HydrophobicContact CB-CD1 4.31Å; Q15-F298 HydrophobicContact CB-CE1 3.77Å; Q15-F298 HydrophobicContact CB-CE2 4.15Å; Q15-F298 HydrophobicContact CB-CZ 3.65Å; Q15-F298 VanDerWaalsContact CD-CG 3.45Å; Q15-F298 HydrophobicContact CG-CD1 3.53Å; Q15-F298 HydrophobicContact CG-CD2 4.46Å; Q15-F298 HydrophobicContact CG-CE1 3.39Å; Q15-F298 HydrophobicContact CG-CE2 4.35Å; Q15-F298 HydrophobicContact CG-CG 4.06Å; Q15-F298 HydrophobicContact CG-CZ 3.81Å; I294-F298 PolarHBondContact O-N 3.19Å; T295-F298 WeakPolarHBondContact O-CB 3.14Å; T295-F298 PolarHBondContact O-N 2.9Å; L296-F298 VanDerWaalsContact C-N 3.32Å; L296-F298 PolarHBondContact O-N 3.38Å; F298-L300 VanDerWaalsContact C-N 3.34Å; F298-S301 PolarHBondContact O-N 2.95Å; F298-S301 PolarHBondContact O-OG 2.94Å; F298-K302 HydrophobicContact CD1-CD 4.35Å; F298-K302 HydrophobicContact CE1-CD 3.77Å; F298-K302 VanDerWaalsContact CE1-NZ 3.27Å; F298-K302 HydrophobicContact CZ-CD 4.19Å; F298-K302 PolarHBondContact O-N 2.96Å; F298-Y353 HydrophobicContact CE2-CD1 4.3Å; F298-V354 HydrophobicContact CB-CG2 4Å; F298-V354 HydrophobicContact CD2-CG2 4.03Å |
| 299 | Y | 92.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 39 Ų | 39 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 175.1 | -69.1 | 2.4 | 0 | 0 | 0 | 110.6 | P274 L277 L289 T295 L296 E297 K302 F303 | P274-Y299 HydrophobicContact CB-CD1 3.7Å; P274-Y299 HydrophobicContact CB-CD2 4.07Å; P274-Y299 HydrophobicContact CB-CE1 4.13Å; P274-Y299 HydrophobicContact CB-CE2 4.45Å; P274-Y299 HydrophobicContact CB-CG 3.68Å; P274-Y299 HydrophobicContact CG-CD1 3.7Å; P274-Y299 HydrophobicContact CG-CE1 3.72Å; P274-Y299 HydrophobicContact CG-CG 4.2Å; L277-Y299 HydrophobicContact CD1-CE2 4.3Å; L289-Y299 HydrophobicContact CD2-CD2 4.47Å; T295-Y299 HydrophobicContact CG2-CD1 4.48Å; T295-Y299 HydrophobicContact CG2-CE1 3.91Å; T295-Y299 HydrophobicContact CG2-CE2 4.26Å; T295-Y299 VanDerWaalsContact O-CD1 3.31Å; T295-Y299 WeakPolarHBondContact O-CD1 3.47Å; T295-Y299 PolarHBondContact O-N 3.27Å; L296-Y299 HydrophobicContact CD2-CD2 4.41Å; L296-Y299 PolarHBondContact O-N 3.44Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; Y299-K302 PolarHBondContact O-N 3.19Å; Y299-F303 WeakPolarHBondContact O-CB 3.45Å; Y299-F303 PolarHBondContact O-N 3.29Å |
| 300 | L | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 178 | -70.9 | 171.9 | 0 | 0 | 0 | 112.7 | L113 L278 L296 E297 F298 K302 F303 R306 L309 L311 T359 N362 | L113-L300 HydrophobicContact CD1-CD1 3.86Å; L113-L300 HydrophobicContact CD1-CD2 4.11Å; L113-L300 HydrophobicContact CD1-CG 4.25Å; L113-L300 HydrophobicContact CD2-CD2 4.21Å; L113-L300 HydrophobicContact CD2-CG 4.46Å; L278-L300 HydrophobicContact CD1-CD2 4.47Å; L296-L300 WeakPolarHBondContact O-CB 3.35Å; L296-L300 VanDerWaalsContact O-CG 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.3Å; L296-L300 PolarHBondContact O-N 3.38Å; E297-L300 PolarHBondContact O-N 3.2Å; F298-L300 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.49Å; L300-F303 PolarHBondContact O-N 2.94Å; L300-F303 VanDerWaalsContact O-N 3.17Å; L300-R306 HydrophobicContact CB-CB 4.38Å; L300-R306 HydrophobicContact CD2-CB 3.92Å; L300-R306 WeakPolarHBondContact O-CB 3.46Å; L300-R306 WeakPolarHBondContact O-CD 3.31Å; L300-L309 HydrophobicContact CD2-CB 3.86Å; L300-L309 HydrophobicContact CD2-CD1 3.68Å; L300-L309 HydrophobicContact CD2-CG 4.44Å; L300-L311 HydrophobicContact CD1-CB 4.14Å; L300-L311 HydrophobicContact CD1-CD2 4.21Å; L300-T359 HydrophobicContact CB-CG2 3.84Å; L300-T359 HydrophobicContact CD1-CG2 4.4Å; L300-N362 HydrophobicContact CD1-CB 4.32Å |
| 301 | S | 89.3 | Confident | 92.2 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -31.6 | -178 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | E297 F298 | E297-S301 WeakPolarHBondContact O-CB 3.27Å; E297-S301 PolarHBondContact O-N 2.98Å; F298-S301 PolarHBondContact O-N 2.95Å; F298-S301 PolarHBondContact O-OG 2.94Å |
| 302 | K | 86.8 | Confident | 92.3 | Very high | 121 Ų | 121 | 36.3 Ų | 36.3 | 53% | 0.526 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.3 | 177.8 | -66.7 | -175.1 | 174.2 | -175.7 | 0 | 114.1 | D14 F298 Y299 L300 | D14-K302 PolarHBondContact O-NZ 2.81Å; F298-K302 HydrophobicContact CD1-CD 4.35Å; F298-K302 HydrophobicContact CE1-CD 3.77Å; F298-K302 VanDerWaalsContact CE1-NZ 3.27Å; F298-K302 HydrophobicContact CZ-CD 4.19Å; F298-K302 PolarHBondContact O-N 2.96Å; Y299-K302 PolarHBondContact O-N 3.19Å; L300-K302 PolarHBondContact O-N 3.49Å |
| 303 | F | 92.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | trans | -102.5 | 130 | -171.2 | -167.3 | -107.7 | 0 | 0 | 0 | 112.4 | H275 L278 I282 Y299 L300 Q305 R306 L309 | H275-F303 AromaticContact CE1-CE2 3.85Å; H275-F303 AromaticContact ND1-CD2 3.7Å; H275-F303 AromaticContact ND1-CE2 3.43Å; H275-F303 WeakPolarHBondContact ND1-CE2 3.31Å; L278-F303 HydrophobicContact CB-CD1 4.15Å; L278-F303 HydrophobicContact CB-CD2 3.95Å; L278-F303 HydrophobicContact CB-CE1 4.01Å; L278-F303 HydrophobicContact CB-CE2 3.81Å; L278-F303 HydrophobicContact CB-CG 4.13Å; L278-F303 HydrophobicContact CB-CZ 3.85Å; L278-F303 HydrophobicContact CD1-CB 3.49Å; L278-F303 VanDerWaalsContact CD1-CB 3.49Å; L278-F303 HydrophobicContact CD1-CD1 3.83Å; L278-F303 HydrophobicContact CD1-CD2 3.9Å; L278-F303 HydrophobicContact CD1-CG 3.48Å; L278-F303 VanDerWaalsContact CD1-CG 3.48Å; L278-F303 HydrophobicContact CG-CG 4.45Å; I282-F303 HydrophobicContact CD1-CE1 3.52Å; I282-F303 HydrophobicContact CD1-CZ 3.91Å; Y299-F303 WeakPolarHBondContact O-CB 3.45Å; Y299-F303 PolarHBondContact O-N 3.29Å; L300-F303 PolarHBondContact O-N 2.94Å; L300-F303 VanDerWaalsContact O-N 3.17Å; F303-Q305 HydrophobicContact CD1-CB 4.33Å; F303-Q305 HydrophobicContact CE1-CB 3.68Å; F303-Q305 HydrophobicContact CZ-CB 4.31Å; F303-R306 HydrophobicContact CD1-CB 4.44Å; F303-R306 WeakPolarHBondContact O-CB 3.49Å; F303-R306 WeakPolarHBondContact O-CG 3.47Å; F303-R306 PolarHBondContact O-NH1 3.39Å; F303-R306 VanDerWaalsContact O-NH1 3.12Å; F303-L309 HydrophobicContact CD1-CD1 4.05Å; F303-L309 HydrophobicContact CE1-CD1 4.07Å | ||
| 304 | L | 91.5 | Very high | 92.5 | Very high | 158 Ų | 158 | 39.2 Ų | 39.2 | 83% | 0.827 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -45.1 | -174.6 | -69.8 | 172.7 | 0 | 0 | 0 | 112.2 | R306 | L304-R306 PolarHBondContact O-N 3.5Š|
| 305 | Q | 93.1 | Very high | 92.2 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 33% | 0.327 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 30.3 | -179 | -54.3 | -174 | 16.9 | 0 | 0 | 113 | I282 F303 D307 K308 | I282-Q305 HydrophobicContact CD1-CB 3.85Å; F303-Q305 HydrophobicContact CD1-CB 4.33Å; F303-Q305 HydrophobicContact CE1-CB 3.68Å; F303-Q305 HydrophobicContact CZ-CB 4.31Å; Q305-D307 WeakPolarHBondContact CA-OD1 3.44Å; Q305-D307 PolarHBondContact O-N 2.98Å; Q305-K308 HydrophobicContact CB-CD 4.31Å; Q305-K308 PolarHBondContact O-N 3.43Å |
| 306 | R | 92.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -60.6 | -26.2 | -177.2 | 64 | -173.8 | 175.4 | -85 | 0.8 | 112.8 | L300 F303 L304 K308 L309 N362 | L300-R306 HydrophobicContact CB-CB 4.38Å; L300-R306 HydrophobicContact CD2-CB 3.92Å; L300-R306 WeakPolarHBondContact O-CB 3.46Å; L300-R306 WeakPolarHBondContact O-CD 3.31Å; F303-R306 HydrophobicContact CD1-CB 4.44Å; F303-R306 WeakPolarHBondContact O-CB 3.49Å; F303-R306 WeakPolarHBondContact O-CG 3.47Å; F303-R306 PolarHBondContact O-NH1 3.39Å; F303-R306 VanDerWaalsContact O-NH1 3.12Å; L304-R306 PolarHBondContact O-N 3.5Å; R306-K308 PolarHBondContact O-N 2.88Å; R306-L309 PolarHBondContact O-N 3.27Å; R306-L309 VanDerWaalsContact O-N 3.1Å; R306-N362 PolarHBondContact O-ND2 3.41Å |
| 307 | D | 90.8 | Very high | 91.7 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.3 | -25.3 | 178.6 | 62.4 | -52.8 | 0 | 0 | 0 | 113 | K116 Q305 L309 | K116-D307 WeakPolarHBondContact CD-O 3.48Å; K116-D307 VanDerWaalsContact CE-O 3.25Å; K116-D307 WeakPolarHBondContact CE-O 3.49Å; K116-D307 PolarHBondContact NZ-O 2.79Å; Q305-D307 WeakPolarHBondContact CA-OD1 3.44Å; Q305-D307 PolarHBondContact O-N 2.98Å; D307-L309 VanDerWaalsContact C-N 3.33Å |
| 308 | K | 92.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -81.4 | -4.1 | 176.7 | -60.3 | -176.7 | -177.1 | 172.1 | 0 | 114.7 | K116 I282 Q305 R306 | K116-K308 WeakPolarHBondContact CB-O 3.47Å; K116-K308 PolarHBondContact N-O 2.99Å; I282-K308 HydrophobicContact CD1-CB 4.12Å; I282-K308 HydrophobicContact CD1-CD 4.22Å; I282-K308 HydrophobicContact CG1-CB 4.25Å; I282-K308 HydrophobicContact CG2-CD 4.15Å; Q305-K308 HydrophobicContact CB-CD 4.31Å; Q305-K308 PolarHBondContact O-N 3.43Å; R306-K308 PolarHBondContact O-N 2.88Å |
| 309 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.5 | -173.5 | -68.1 | 165.1 | 0 | 0 | 0 | 111.5 | L113 I114 K116 L278 L281 I282 L300 F303 R306 D307 N362 | L113-L309 HydrophobicContact CD1-CB 4.15Å; L113-L309 HydrophobicContact CD2-CD1 4.3Å; L113-L309 HydrophobicContact CG-CB 4.35Å; I114-L309 CarbonylContact O-C 3.51Å; I114-L309 WeakPolarHBondContact O-CA 3.24Å; K116-L309 WeakPolarHBondContact CE-O 3.39Å; L278-L309 HydrophobicContact CB-CD1 4.03Å; L278-L309 HydrophobicContact CD1-CD1 4.06Å; L278-L309 HydrophobicContact CD2-CD1 3.99Å; L278-L309 HydrophobicContact CG-CD1 4.23Å; L281-L309 HydrophobicContact CB-CD2 3.71Å; L281-L309 HydrophobicContact CD1-CD2 4.09Å; I282-L309 HydrophobicContact CD1-CD1 4.46Å; I282-L309 HydrophobicContact CD1-CG 4.34Å; I282-L309 HydrophobicContact CG1-CD2 3.91Å; I282-L309 HydrophobicContact CG1-CG 4.16Å; L300-L309 HydrophobicContact CD2-CB 3.86Å; L300-L309 HydrophobicContact CD2-CD1 3.68Å; L300-L309 HydrophobicContact CD2-CG 4.44Å; F303-L309 HydrophobicContact CD1-CD1 4.05Å; F303-L309 HydrophobicContact CE1-CD1 4.07Å; R306-L309 PolarHBondContact O-N 3.27Å; R306-L309 VanDerWaalsContact O-N 3.1Å; D307-L309 VanDerWaalsContact C-N 3.33Å; L309-N362 PolarHBondContact O-ND2 3.17Å |
| 310 | W | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118 | -179 | -153.4 | -24.8 | 0 | 0 | 0 | 110.1 | L113 I114 K116 V214 Q215 R216 I312 H364 P365 V367 | L113-W310 WeakPolarHBondContact CA-O 3.34Å; L113-W310 WeakPolarHBondContact CD1-O 3.39Å; I114-W310 HydrophobicContact CD1-CB 4.37Å; I114-W310 HydrophobicContact CD1-CE3 4.42Å; I114-W310 HydrophobicContact CG1-CB 3.69Å; I114-W310 PolarHBondContact N-O 3.4Å; I114-W310 VanDerWaalsContact N-O 3.09Å; I114-W310 PolarHBondContact O-N 3.11Å; K116-W310 HydrophobicContact CG-CB 3.74Å; K116-W310 HydrophobicContact CG-CD2 4.43Å; K116-W310 HydrophobicContact CG-CG 4.16Å; V214-W310 WeakPolarHBondContact O-CH2 3.49Å; Q215-W310 VanDerWaalsContact C-CH2 3.42Å; R216-W310 HydrophobicContact CB-CD2 4.43Å; R216-W310 HydrophobicContact CB-CE3 4.45Å; R216-W310 HydrophobicContact CB-CH2 3.73Å; R216-W310 HydrophobicContact CB-CZ2 3.66Å; R216-W310 HydrophobicContact CB-CZ3 4.11Å; W310-I312 HydrophobicContact CG-CG1 4.37Å; W310-H364 WeakPolarHBondContact CZ2-O 3.37Å; W310-H364 PolarHBondContact NE1-O 2.91Å; W310-P365 WeakPolarHBondContact CZ2-O 3.16Å; W310-V367 HydrophobicContact CD2-CG2 3.92Å; W310-V367 HydrophobicContact CE3-CG2 3.83Å; W310-V367 HydrophobicContact CH2-CB 4.31Å; W310-V367 HydrophobicContact CH2-CG2 3.71Å; W310-V367 HydrophobicContact CZ2-CG2 3.82Å; W310-V367 HydrophobicContact CZ3-CB 4.45Å; W310-V367 HydrophobicContact CZ3-CG2 3.73Å |
| 311 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 113.3 | 175 | -179.2 | 62.9 | 0 | 0 | 0 | 109.7 | A111 F112 L113 L296 E297 L300 N362 K363 | A111-L311 HydrophobicContact CB-CD1 3.94Å; F112-L311 WeakPolarHBondContact O-CA 3.4Å; L113-L311 HydrophobicContact CD1-CB 4.03Å; L113-L311 HydrophobicContact CD1-CD1 4.16Å; L296-L311 HydrophobicContact CB-CD1 3.7Å; L296-L311 HydrophobicContact CD1-CD1 3.65Å; L296-L311 HydrophobicContact CG-CD1 4.34Å; E297-L311 HydrophobicContact CG-CD2 3.73Å; L300-L311 HydrophobicContact CD1-CB 4.14Å; L300-L311 HydrophobicContact CD1-CD2 4.21Å; L311-N362 HydrophobicContact CB-CB 4.1Å; L311-N362 PolarHBondContact N-O 3.38Å; L311-K363 HydrophobicContact CB-CG 4.43Å; L311-K363 HydrophobicContact CD2-CD 4.43Å; L311-K363 HydrophobicContact CD2-CG 4Å; L311-K363 HydrophobicContact CG-CG 4.42Å |
| 312 | I | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109 | -179.2 | -58.1 | 172.4 | 0 | 0 | 0 | 107.5 | A111 F112 I114 R216 F218 W310 | A111-I312 CarbonylContact C-O 3.52Å; A111-I312 VanDerWaalsContact CA-O 3.3Å; A111-I312 WeakPolarHBondContact CA-O 3.31Å; F112-I312 HydrophobicContact CB-CB 4.26Å; F112-I312 HydrophobicContact CD2-CB 4.19Å; F112-I312 HydrophobicContact CD2-CG2 3.98Å; F112-I312 WeakPolarHBondContact CD2-O 3.49Å; F112-I312 PolarHBondContact N-O 3.18Å; F112-I312 PolarHBondContact O-N 2.77Å; I114-I312 HydrophobicContact CD1-CD1 3.7Å; I114-I312 HydrophobicContact CG1-CD1 4.1Å; R216-I312 HydrophobicContact CB-CD1 4.06Å; F218-I312 HydrophobicContact CD2-CD1 4.39Å; F218-I312 HydrophobicContact CD2-CG2 4.43Å; F218-I312 HydrophobicContact CE1-CD1 4.39Å; F218-I312 HydrophobicContact CE2-CD1 3.95Å; F218-I312 HydrophobicContact CE2-CG2 4.33Å; F218-I312 HydrophobicContact CZ-CD1 3.94Å; W310-I312 HydrophobicContact CG-CG1 4.37Å |
| 313 | R | 93.7 | Very high | 92.5 | Very high | 84 Ų | 84 | 47.7 Ų | 47.7 | 32% | 0.317 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.3 | 174.7 | 174.2 | 177 | 156.9 | 164.2 | -13.2 | 110.7 | Y109 E293 N315 | Y109-R313 HydrophobicContact CG-CG 4.32Å; Y109-R313 PolarHBondContact OH-NH2 2.73Å; E293-R313 WeakPolarHBondContact OE2-CD 3.43Å; E293-R313 IonicContact OE2-CZ 2.76Å; E293-R313 IonicContact OE2-NE 2.73Å; E293-R313 IonicContact OE2-NH1 3.2Å; E293-R313 PolarHBondContact OE2-NH1 3.37Å; R313-N315 PolarHBondContact NE-OD1 2.82Å |
| 314 | D | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.4 | 167.2 | -167.5 | -5.2 | 0 | 0 | 0 | 109.2 | Y109 Q110 F112 I221 I316 | Y109-D314 WeakPolarHBondContact CD1-O 2.9Å; Q110-D314 HydrophobicContact CB-CB 4.02Å; Q110-D314 HydrophobicContact CG-CB 4.3Å; Q110-D314 PolarHBondContact NE2-OD2 2.83Å; Q110-D314 VanDerWaalsContact NE2-OD2 3.17Å; Q110-D314 WeakPolarHBondContact O-CA 3.31Å; Q110-D314 WeakPolarHBondContact O-CB 2.91Å; Q110-D314 PolarHBondContact O-N 3.43Å; F112-D314 HydrophobicContact CE2-CB 3.66Å; F112-D314 HydrophobicContact CZ-CB 3.76Å; I221-D314 WeakPolarHBondContact CB-OD2 3.37Å; D314-I316 WeakPolarHBondContact OD1-CG1 3.44Å; D314-I316 PolarHBondContact OD1-N 2.79Å; D314-I316 VanDerWaalsContact OD1-N 3.08Å |
| 315 | N | 86.6 | Confident | 93 | Very high | 108 Ų | 108 | 40.3 Ų | 40.3 | 58% | 0.578 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 0.5 | -179.4 | -69.5 | -35 | 0 | 0 | 0 | 113 | R313 | R313-N315 PolarHBondContact NE-OD1 2.82Å |
| 316 | I | 87.8 | Confident | 93.1 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 43% | 0.431 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -46.3 | -176.1 | -55.6 | 178.5 | 0 | 0 | 0 | 111.4 | N220 I221 V222 D314 | N220-I316 HydrophobicContact CB-CD1 3.69Å; N220-I316 HydrophobicContact CB-CG1 4.22Å; I221-I316 HydrophobicContact CG2-CD1 4.34Å; V222-I316 HydrophobicContact CG2-CD1 4.15Å; D314-I316 WeakPolarHBondContact OD1-CG1 3.44Å; D314-I316 PolarHBondContact OD1-N 2.79Å; D314-I316 VanDerWaalsContact OD1-N 3.08Å |
| 317 | F | 84.9 | Confident | 93.1 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.2 | -173.6 | -66.9 | -84.1 | 0 | 0 | 0 | 112.8 | Q110 I221 P250 | Q110-F317 PolarHBondContact N-O 3.08Å; I221-F317 HydrophobicContact CG2-CD2 4.47Å; I221-F317 HydrophobicContact CG2-CE2 4.23Å; P250-F317 VanDerWaalsContact CD-CE2 3.49Å; P250-F317 HydrophobicContact CG-CE2 4.08Å; P250-F317 HydrophobicContact CG-CZ 3.88Å |
| 318 | L | 89.9 | Confident | 93.2 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 41% | 0.408 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.5 | 168.1 | -173.5 | 63.5 | 0 | 0 | 0 | 109.5 | Y107 Y109 | Y107-L318 HydrophobicContact CD1-CD2 3.8Å; Y107-L318 HydrophobicContact CD1-CG 4.1Å; Y107-L318 HydrophobicContact CG-CD2 4.32Å; Y109-L318 HydrophobicContact CD1-CD1 4.18Å; Y109-L318 HydrophobicContact CD2-CD1 3.96Å; Y109-L318 HydrophobicContact CE1-CB 4.32Å; Y109-L318 HydrophobicContact CE1-CD1 3.84Å; Y109-L318 HydrophobicContact CE2-CD1 3.56Å; Y109-L318 HydrophobicContact CG-CD1 4.25Å |
| 319 | Q | 91.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128 | 176.5 | -60.8 | 174.4 | -18.4 | 0 | 0 | 110.3 | Y90 Y107 S108 F248 N321 | Y90-Q319 HydrophobicContact CD1-CB 3.8Å; Y90-Q319 HydrophobicContact CD1-CG 4.34Å; Y90-Q319 HydrophobicContact CE1-CB 4.24Å; Y107-Q319 WeakPolarHBondContact CA-O 3.14Å; S108-Q319 PolarHBondContact N-O 2.95Å; S108-Q319 WeakPolarHBondContact O-CA 3.34Å; S108-Q319 WeakPolarHBondContact O-CB 3.44Å; S108-Q319 PolarHBondContact O-N 3.35Å; F248-Q319 HydrophobicContact CD1-CG 3.81Å; F248-Q319 HydrophobicContact CE1-CG 3.85Å; F248-Q319 HydrophobicContact CG-CG 4.21Å; F248-Q319 HydrophobicContact CZ-CG 4.27Å; Q319-N321 PolarHBondContact O-ND2 3.36Å |
| 320 | M | 94.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 40% | 0.399 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.9 | 174.7 | -55.8 | -170.4 | -174.2 | 0 | 0 | 108.8 | Y90 L91 P104 Y107 | Y90-M320 WeakPolarHBondContact CA-O 3.26Å; L91-M320 HydrophobicContact CB-CB 4.38Å; L91-M320 HydrophobicContact CD1-CB 3.8Å; L91-M320 HydrophobicContact CD1-SD 4.23Å; L91-M320 HydrophobicContact CG-CB 4.09Å; L91-M320 PolarHBondContact N-O 3.49Å; P104-M320 HydrophobicContact CB-CB 4.26Å; P104-M320 HydrophobicContact CG-CB 3.99Å; P104-M320 HydrophobicContact CG-CG 4.4Å; P104-M320 HydrophobicContact CG-SD 4.1Å; Y107-M320 HydrophobicContact CD1-CB 4.48Å; Y107-M320 HydrophobicContact CD1-CG 3.82Å; Y107-M320 HydrophobicContact CE1-CB 4.45Å; Y107-M320 HydrophobicContact CE1-CE 4.14Å; Y107-M320 HydrophobicContact CE1-CG 3.7Å; Y107-M320 HydrophobicContact CE1-SD 4.01Å |
| 321 | N | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.9 | -177.9 | -64.5 | -89.8 | 0 | 0 | 0 | 110.3 | I88 Y90 P104 V105 W106 Q319 | I88-N321 HydrophobicContact CB-CB 4.29Å; I88-N321 HydrophobicContact CD1-CB 3.63Å; I88-N321 HydrophobicContact CG1-CB 3.96Å; Y90-N321 WeakPolarHBondContact CD1-OD1 3.43Å; Y90-N321 WeakPolarHBondContact CE1-OD1 3.43Å; P104-N321 CarbonylContact C-O 3.6Å; P104-N321 WeakPolarHBondContact CA-O 3.5Å; V105-N321 PolarHBondContact N-O 3.38Å; W106-N321 PolarHBondContact O-N 2.85Å; Q319-N321 PolarHBondContact O-ND2 3.36Å |
| 322 | S | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 151.7 | -175.7 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | I88 C89 S102 P104 F324 | I88-S322 WeakPolarHBondContact CA-O 3.25Å; C89-S322 PolarHBondContact N-O 2.92Å; C89-S322 PolarHBondContact O-N 3.4Å; S102-S322 VanDerWaalsContact O-CB 3.31Å; S102-S322 WeakPolarHBondContact O-CB 3.4Å; S102-S322 PolarHBondContact O-OG 2.79Å; P104-S322 WeakPolarHBondContact CA-OG 3.44Å; S322-F324 WeakPolarHBondContact O-CD2 3.38Å |
| 323 | Y | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -72 | 147.5 | 159.5 | -56.7 | -74.1 | 0 | 0 | 0 | 110.1 | E35 I38 L39 T85 G86 I88 A101 S102 V105 L339 | E35-Y323 PolarHBondContact O-OH 2.84Å; I38-Y323 HydrophobicContact CG2-CE2 4.36Å; L39-Y323 HydrophobicContact CB-CE1 4.26Å; L39-Y323 HydrophobicContact CD2-CE1 4.37Å; T85-Y323 WeakPolarHBondContact O-CD1 3.49Å; G86-Y323 WeakPolarHBondContact O-CE1 3.38Å; I88-Y323 HydrophobicContact CG2-CD1 3.79Å; I88-Y323 HydrophobicContact CG2-CD2 4.42Å; I88-Y323 HydrophobicContact CG2-CE1 3.47Å; I88-Y323 VanDerWaalsContact CG2-CE1 3.47Å; I88-Y323 HydrophobicContact CG2-CE2 4.11Å; I88-Y323 HydrophobicContact CG2-CG 4.27Å; A101-Y323 WeakPolarHBondContact CA-O 3.26Å; S102-Y323 PolarHBondContact N-O 3.17Å; S102-Y323 PolarHBondContact OG-N 2.75Å; S102-Y323 PolarHBondContact OG-O 3.35Å; V105-Y323 HydrophobicContact CG1-CE2 4.41Å; V105-Y323 HydrophobicContact CG2-CD2 3.54Å; V105-Y323 HydrophobicContact CG2-CE2 3.4Å; V105-Y323 VanDerWaalsContact CG2-CE2 3.4Å; Y323-L339 HydrophobicContact CD2-CD1 3.72Å; Y323-L339 HydrophobicContact CD2-CD2 4.2Å; Y323-L339 HydrophobicContact CE2-CD1 4.18Å; Y323-L339 HydrophobicContact CE2-CD2 3.79Å | ||
| 324 | F | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.6 | 176.1 | -75.8 | -102.2 | 0 | 0 | 0 | 110.8 | M74 L77 V84 T85 C89 L91 R95 L96 F99 G100 A101 S322 | M74-F324 HydrophobicContact CE-CB 3.83Å; M74-F324 HydrophobicContact CE-CD1 4.39Å; M74-F324 HydrophobicContact CE-CD2 3.98Å; M74-F324 HydrophobicContact CE-CG 3.81Å; M74-F324 HydrophobicContact SD-CB 4.15Å; M74-F324 HydrophobicContact SD-CD1 4.14Å; M74-F324 HydrophobicContact SD-CG 4.11Å; L77-F324 HydrophobicContact CD1-CB 3.82Å; V84-F324 CarbonylContact C-O 3.57Å; V84-F324 WeakPolarHBondContact CA-O 3.24Å; T85-F324 HydrophobicContact CG2-CB 3.92Å; T85-F324 PolarHBondContact N-O 2.86Å; T85-F324 PolarHBondContact OG1-N 2.81Å; C89-F324 HydrophobicContact CB-CD2 3.69Å; C89-F324 HydrophobicContact CB-CE2 3.55Å; L91-F324 HydrophobicContact CD2-CE1 4.44Å; L91-F324 HydrophobicContact CD2-CE2 4.22Å; L91-F324 HydrophobicContact CD2-CZ 3.74Å; R95-F324 HydrophobicContact CB-CD1 4.44Å; R95-F324 HydrophobicContact CB-CE1 3.62Å; R95-F324 HydrophobicContact CB-CZ 4.06Å; L96-F324 HydrophobicContact CD2-CE1 4.42Å; F99-F324 HydrophobicContact CB-CD1 3.95Å; G100-F324 CarbonylContact O-C 3.47Å; G100-F324 VanDerWaalsContact O-CA 3.31Å; G100-F324 WeakPolarHBondContact O-CA 3.43Å; A101-F324 HydrophobicContact CB-CD1 4.04Å; A101-F324 HydrophobicContact CB-CE1 3.89Å; A101-F324 HydrophobicContact CB-CG 4.49Å; A101-F324 HydrophobicContact CB-CZ 4.21Å; S322-F324 WeakPolarHBondContact O-CD2 3.38Å |
| 325 | W | 97.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.7 | 177.5 | 47.5 | 68.8 | 0 | 0 | 0 | 110.9 | D83 V84 G100 A101 S102 F329 R332 L335 D336 | D83-W325 WeakPolarHBondContact O-CA 3.48Å; D83-W325 VanDerWaalsContact O-CB 3.22Å; D83-W325 WeakPolarHBondContact O-CB 3.43Å; V84-W325 HydrophobicContact CG1-CE3 4.27Å; V84-W325 HydrophobicContact CG2-CB 4.24Å; G100-W325 PolarHBondContact N-O 2.85Å; G100-W325 PolarHBondContact O-N 2.96Å; A101-W325 VanDerWaalsContact O-CZ2 3.3Å; A101-W325 WeakPolarHBondContact O-CZ2 3.08Å; S102-W325 VanDerWaalsContact CB-CZ3 3.49Å; S102-W325 VanDerWaalsContact N-CH2 3.29Å; W325-F329 HydrophobicContact CB-CB 4.21Å; W325-F329 HydrophobicContact CB-CD1 3.94Å; W325-F329 HydrophobicContact CB-CG 4.31Å; W325-F329 HydrophobicContact CD2-CD1 4.48Å; W325-F329 HydrophobicContact CG-CD1 4.06Å; W325-R332 HydrophobicContact CD2-CB 4.35Å; W325-R332 HydrophobicContact CG-CB 4.46Å; W325-R332 HydrophobicContact CZ2-CB 4.14Å; W325-L335 HydrophobicContact CZ3-CD2 4.4Å; W325-D336 HydrophobicContact CH2-CB 3.89Å; W325-D336 HydrophobicContact CZ2-CB 4.41Å |
| 326 | R | 94.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | trans | -67.4 | 146.8 | 174.7 | -52.9 | -174.4 | -63.3 | 122 | 2.4 | 110.3 | L77 N80 D83 D328 F329 | L77-R326 HydrophobicContact CB-CG 4.3Å; L77-R326 HydrophobicContact CD2-CG 3.79Å; L77-R326 VanDerWaalsContact O-CD 3.26Å; L77-R326 WeakPolarHBondContact O-CD 3Å; L77-R326 WeakPolarHBondContact O-CG 3.41Å; N80-R326 PolarHBondContact OD1-NE 2.83Å; N80-R326 VanDerWaalsContact OD1-NE 3.11Å; N80-R326 PolarHBondContact OD1-NH1 3.03Å; N80-R326 PolarHBondContact OD1-NH2 3.29Å; D83-R326 IonicContact OD1-NE 3.51Å; D83-R326 IonicContact OD1-NH2 3.46Å; D83-R326 PolarHBondContact OD1-NH2 2.99Å; R326-D328 WeakPolarHBondContact CB-OD1 3.49Å; R326-D328 IonicContact CZ-OD1 3.53Å; R326-D328 IonicContact CZ-OD2 3.65Å; R326-D328 IonicContact NE-OD1 3.43Å; R326-D328 VanDerWaalsContact NH1-CG 3.28Å; R326-D328 IonicContact NH1-OD1 2.74Å; R326-D328 PolarHBondContact NH1-OD1 3.24Å; R326-D328 IonicContact NH1-OD2 3.59Å; R326-D328 PolarHBondContact NH1-OD2 3.48Å; R326-D328 IonicContact NH2-OD2 2.86Å; R326-D328 PolarHBondContact O-N 2.9Å; R326-F329 VanDerWaalsContact O-CB 3.23Å; R326-F329 WeakPolarHBondContact O-CB 3.34Å; R326-F329 PolarHBondContact O-N 3.43Å | ||
| 327 | L | 92.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 53.4 Ų | 53.4 | 48% | 0.482 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32.4 | -178.4 | -72 | 171.8 | 0 | 0 | 0 | 112.6 | M98 F329 R332 | M98-L327 WeakPolarHBondContact O-CD1 3.23Å; L327-F329 VanDerWaalsContact C-N 3.34Å; L327-R332 PolarHBondContact O-NH1 3.49Å |
| 328 | D | 93 | Very high | 94.9 | Very high | 104 Ų | 104 | 51 Ų | 51 | 56% | 0.556 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.5 | 178.4 | 68 | -37.6 | 0 | 0 | 0 | 114 | R326 P330 | R326-D328 WeakPolarHBondContact CB-OD1 3.49Å; R326-D328 IonicContact CZ-OD1 3.53Å; R326-D328 IonicContact CZ-OD2 3.65Å; R326-D328 IonicContact NE-OD1 3.43Å; R326-D328 VanDerWaalsContact NH1-CG 3.28Å; R326-D328 IonicContact NH1-OD1 2.74Å; R326-D328 PolarHBondContact NH1-OD1 3.24Å; R326-D328 IonicContact NH1-OD2 3.59Å; R326-D328 PolarHBondContact NH1-OD2 3.48Å; R326-D328 IonicContact NH2-OD2 2.86Å; R326-D328 PolarHBondContact O-N 2.9Å; D328-P330 VanDerWaalsContact O-CD 3.26Å; D328-P330 WeakPolarHBondContact O-CD 3.45Å; D328-P330 VanDerWaalsContact O-N 3.11Å |
| 329 | F | 94.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | trans | -62.1 | 113.3 | -178.9 | 178.5 | -126.7 | 0 | 0 | 0 | 111.2 | D83 V84 W325 R326 L327 M331 R332 L335 | D83-F329 HydrophobicContact CB-CD2 4Å; D83-F329 HydrophobicContact CB-CE2 3.86Å; V84-F329 HydrophobicContact CG2-CD1 4.21Å; V84-F329 HydrophobicContact CG2-CE1 3.66Å; V84-F329 HydrophobicContact CG2-CE2 4.4Å; V84-F329 HydrophobicContact CG2-CZ 3.76Å; W325-F329 HydrophobicContact CB-CB 4.21Å; W325-F329 HydrophobicContact CB-CD1 3.94Å; W325-F329 HydrophobicContact CB-CG 4.31Å; W325-F329 HydrophobicContact CD2-CD1 4.48Å; W325-F329 HydrophobicContact CG-CD1 4.06Å; R326-F329 VanDerWaalsContact O-CB 3.23Å; R326-F329 WeakPolarHBondContact O-CB 3.34Å; R326-F329 PolarHBondContact O-N 3.43Å; L327-F329 VanDerWaalsContact C-N 3.34Å; F329-M331 VanDerWaalsContact C-N 3.3Å; F329-M331 HydrophobicContact CE1-CB 3.97Å; F329-M331 HydrophobicContact CE2-CB 4.17Å; F329-M331 HydrophobicContact CE2-CE 3.94Å; F329-M331 HydrophobicContact CZ-CB 3.67Å; F329-M331 HydrophobicContact CZ-CE 4.05Å; F329-M331 PolarHBondContact O-N 3.17Å; F329-R332 HydrophobicContact CD1-CB 3.84Å; F329-R332 WeakPolarHBondContact O-CB 3.1Å; F329-R332 WeakPolarHBondContact O-CG 3.46Å; F329-R332 PolarHBondContact O-N 3.31Å; F329-L335 HydrophobicContact CE1-CD2 4.09Å | ||
| 330 | P | 93.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 49.5 Ų | 49.5 | 71% | 0.714 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.9 | -168.3 | 23.9 | -33.8 | 0 | 0 | 0 | 113 | D328 R332 | D328-P330 VanDerWaalsContact O-CD 3.26Å; D328-P330 WeakPolarHBondContact O-CD 3.45Å; D328-P330 VanDerWaalsContact O-N 3.11Å; P330-R332 VanDerWaalsContact C-N 3.35Å |
| 331 | M | 93 | Very high | 95.5 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.1 | -176 | -59.7 | -174.8 | -74.4 | 0 | 0 | 113.4 | I6 M48 F329 K333 T334 L335 | I6-M331 HydrophobicContact CD1-CE 4.32Å; I6-M331 HydrophobicContact CG1-CE 3.79Å; M48-M331 HydrophobicContact CE-SD 3.99Å; M48-M331 HydrophobicContact SD-CE 3.7Å; M48-M331 HydrophobicContact SD-SD 3.36Å; F329-M331 VanDerWaalsContact C-N 3.3Å; F329-M331 HydrophobicContact CE1-CB 3.97Å; F329-M331 HydrophobicContact CE2-CB 4.17Å; F329-M331 HydrophobicContact CE2-CE 3.94Å; F329-M331 HydrophobicContact CZ-CB 3.67Å; F329-M331 HydrophobicContact CZ-CE 4.05Å; F329-M331 PolarHBondContact O-N 3.17Å; M331-K333 VanDerWaalsContact C-N 3.31Å; M331-K333 PolarHBondContact O-N 3.25Å; M331-T334 PolarHBondContact O-N 2.9Å; M331-L335 WeakPolarHBondContact O-CB 3.38Å; M331-L335 PolarHBondContact O-N 2.86Å |
| 332 | R | 94.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.8 | -44.3 | -176.5 | 67.1 | -172 | -178.2 | 168.8 | 5 | 113.6 | W325 L327 F329 P330 D336 | W325-R332 HydrophobicContact CD2-CB 4.35Å; W325-R332 HydrophobicContact CG-CB 4.46Å; W325-R332 HydrophobicContact CZ2-CB 4.14Å; L327-R332 PolarHBondContact O-NH1 3.49Å; F329-R332 HydrophobicContact CD1-CB 3.84Å; F329-R332 WeakPolarHBondContact O-CB 3.1Å; F329-R332 WeakPolarHBondContact O-CG 3.46Å; F329-R332 PolarHBondContact O-N 3.31Å; P330-R332 VanDerWaalsContact C-N 3.35Å; R332-D336 WeakPolarHBondContact O-CB 3.18Å; R332-D336 PolarHBondContact O-N 3.41Å |
| 333 | K | 95.9 | Very high | 95.3 | Very high | 162 Ų | 162 | 52.2 Ų | 52.2 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.5 | -44.3 | -178.9 | -69.5 | -173.8 | 177.9 | -178.6 | 0 | 111.5 | M331 Q337 | M331-K333 VanDerWaalsContact C-N 3.31Å; M331-K333 PolarHBondContact O-N 3.25Å; K333-Q337 VanDerWaalsContact O-CB 3.3Å; K333-Q337 WeakPolarHBondContact O-CB 3.37Å; K333-Q337 PolarHBondContact O-N 2.02Å |
| 334 | T | 96.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | -179 | -47 | 0 | 0 | 0 | 0 | 111.3 | L46 M331 Q337 A338 | L46-T334 HydrophobicContact CD1-CG2 4.03Å; L46-T334 HydrophobicContact CD2-CG2 3.61Å; L46-T334 HydrophobicContact CG-CG2 4.45Å; M331-T334 PolarHBondContact O-N 2.9Å; T334-Q337 PolarHBondContact O-N 3.23Å; T334-A338 PolarHBondContact O-N 3.4Å |
| 335 | L | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.6 | -175.4 | 61.9 | 0 | 0 | 0 | 111.6 | L39 A42 L46 V84 W325 F329 M331 Q337 A338 L339 | L39-L335 HydrophobicContact CD1-CD1 4.35Å; L39-L335 HydrophobicContact CD1-CD2 4.43Å; A42-L335 HydrophobicContact CB-CD1 4Å; L46-L335 HydrophobicContact CD1-CD1 4.22Å; V84-L335 HydrophobicContact CG1-CD2 4.21Å; V84-L335 HydrophobicContact CG2-CD2 3.9Å; W325-L335 HydrophobicContact CZ3-CD2 4.4Å; F329-L335 HydrophobicContact CE1-CD2 4.09Å; M331-L335 WeakPolarHBondContact O-CB 3.38Å; M331-L335 PolarHBondContact O-N 2.86Å; L335-Q337 VanDerWaalsContact C-N 3.29Å; L335-Q337 PolarHBondContact O-N 2.89Å; L335-A338 PolarHBondContact O-N 3.41Å; L335-L339 HydrophobicContact CG-CD1 4.32Å; L335-L339 WeakPolarHBondContact O-CB 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.32Å; L335-L339 PolarHBondContact O-N 2.84Å |
| 336 | D | 96.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 15% | 0.15 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 175.7 | -168.3 | 55.9 | 0 | 0 | 0 | 112.4 | S102 R103 W325 R332 L339 T340 | S102-D336 WeakPolarHBondContact CA-OD1 3.4Å; S102-D336 WeakPolarHBondContact CB-OD1 3.3Å; R103-D336 WeakPolarHBondContact CD-OD2 3.02Å; R103-D336 WeakPolarHBondContact CG-OD2 3.4Å; R103-D336 PolarHBondContact N-OD1 2.98Å; R103-D336 IonicContact NE-OD2 3.93Å; W325-D336 HydrophobicContact CH2-CB 3.89Å; W325-D336 HydrophobicContact CZ2-CB 4.41Å; R332-D336 WeakPolarHBondContact O-CB 3.18Å; R332-D336 PolarHBondContact O-N 3.41Å; D336-L339 PolarHBondContact O-N 2.85Å; D336-T340 WeakPolarHBondContact O-CB 3.37Å; D336-T340 PolarHBondContact O-N 3.28Å; D336-T340 PolarHBondContact O-OG1 3.36Å |
| 337 | Q | 96.9 | Very high | 94.1 | Very high | 133 Ų | 133 | 64.1 Ų | 64.1 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 174.7 | -174.8 | 173.9 | 0.4 | 0 | 0 | 111.8 | K333 T334 L335 T340 T341 | K333-Q337 VanDerWaalsContact O-CB 3.3Å; K333-Q337 WeakPolarHBondContact O-CB 3.37Å; K333-Q337 PolarHBondContact O-N 2.02Å; T334-Q337 PolarHBondContact O-N 3.23Å; L335-Q337 VanDerWaalsContact C-N 3.29Å; L335-Q337 PolarHBondContact O-N 2.89Å; Q337-T340 PolarHBondContact O-N 3.19Å; Q337-T341 WeakPolarHBondContact O-CB 3.33Å; Q337-T341 PolarHBondContact O-N 3.44Å; Q337-T341 PolarHBondContact O-OG1 3.49Å |
| 338 | A | 96.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A42 L46 T334 L335 T340 T341 I342 | A42-A338 HydrophobicContact CB-CB 4.26Å; L46-A338 HydrophobicContact CD1-CB 3.67Å; L46-A338 HydrophobicContact CD2-CB 4.17Å; L46-A338 HydrophobicContact CG-CB 3.9Å; T334-A338 PolarHBondContact O-N 3.4Å; L335-A338 PolarHBondContact O-N 3.41Å; A338-T340 VanDerWaalsContact C-N 3.29Å; A338-T340 PolarHBondContact O-N 3.23Å; A338-T341 WeakPolarHBondContact O-CB 3.25Å; A338-T341 PolarHBondContact O-N 3.15Å; A338-I342 WeakPolarHBondContact O-CG1 2.75Å; A338-I342 PolarHBondContact O-N 2.93Å |
| 339 | L | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 173.4 | -71 | 170.7 | 0 | 0 | 0 | 111.4 | I38 A42 Y323 L335 D336 T341 K346 | I38-L339 HydrophobicContact CG2-CD2 3.81Å; A42-L339 HydrophobicContact CB-CD2 3.9Å; A42-L339 HydrophobicContact CB-CG 4.26Å; Y323-L339 HydrophobicContact CD2-CD1 3.72Å; Y323-L339 HydrophobicContact CD2-CD2 4.2Å; Y323-L339 HydrophobicContact CE2-CD1 4.18Å; Y323-L339 HydrophobicContact CE2-CD2 3.79Å; L335-L339 HydrophobicContact CG-CD1 4.32Å; L335-L339 WeakPolarHBondContact O-CB 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.32Å; L335-L339 PolarHBondContact O-N 2.84Å; D336-L339 PolarHBondContact O-N 2.85Å; L339-T341 VanDerWaalsContact C-N 3.34Å; L339-K346 WeakPolarHBondContact O-CE 3.49Å; L339-K346 PolarHBondContact O-NZ 3.32Å |
| 340 | T | 95.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 59 Ų | 59 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | R103 D336 Q337 A338 I342 G343 | R103-T340 VanDerWaalsContact CD-OG1 3.25Å; R103-T340 WeakPolarHBondContact CD-OG1 3.49Å; R103-T340 PolarHBondContact NH1-OG1 2.86Å; D336-T340 WeakPolarHBondContact O-CB 3.37Å; D336-T340 PolarHBondContact O-N 3.28Å; D336-T340 PolarHBondContact O-OG1 3.36Å; Q337-T340 PolarHBondContact O-N 3.19Å; A338-T340 VanDerWaalsContact C-N 3.29Å; A338-T340 PolarHBondContact O-N 3.23Å; T340-I342 VanDerWaalsContact C-N 3.35Å; T340-I342 PolarHBondContact O-N 2.95Å; T340-G343 VanDerWaalsContact O-CA 3.32Å; T340-G343 WeakPolarHBondContact O-CA 3.33Å; T340-G343 PolarHBondContact O-N 3.11Å |
| 341 | T | 95.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.7 | -36 | -177.7 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | M45 Q337 A338 L339 G343 | M45-T341 HydrophobicContact CE-CG2 3.8Å; Q337-T341 WeakPolarHBondContact O-CB 3.33Å; Q337-T341 PolarHBondContact O-N 3.44Å; Q337-T341 PolarHBondContact O-OG1 3.49Å; A338-T341 WeakPolarHBondContact O-CB 3.25Å; A338-T341 PolarHBondContact O-N 3.15Å; L339-T341 VanDerWaalsContact C-N 3.34Å; T341-G343 PolarHBondContact O-N 3.31Å |
| 342 | I | 94.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -32 | 171.7 | -65.4 | 167.5 | 0 | 0 | 0 | 110.7 | L41 A42 M45 A338 T340 S344 Y345 K346 | L41-I342 HydrophobicContact CB-CD1 4.16Å; L41-I342 HydrophobicContact CD2-CD1 3.93Å; L41-I342 HydrophobicContact CD2-CG1 3.97Å; L41-I342 HydrophobicContact CD2-CG2 3.86Å; L41-I342 HydrophobicContact CG-CD1 3.93Å; L41-I342 HydrophobicContact CG-CG1 4.24Å; A42-I342 HydrophobicContact CB-CD1 3.78Å; M45-I342 HydrophobicContact SD-CD1 4.16Å; M45-I342 HydrophobicContact SD-CG1 3.62Å; A338-I342 WeakPolarHBondContact O-CG1 2.75Å; A338-I342 PolarHBondContact O-N 2.93Å; T340-I342 VanDerWaalsContact C-N 3.35Å; T340-I342 PolarHBondContact O-N 2.95Å; I342-S344 PolarHBondContact O-N 2.93Å; I342-Y345 HydrophobicContact CG2-CD1 4.08Å; I342-Y345 HydrophobicContact CG2-CG 4.49Å; I342-Y345 WeakPolarHBondContact O-CB 3.46Å; I342-Y345 PolarHBondContact O-N 2.96Å; I342-K346 HydrophobicContact CB-CG 4.41Å; I342-K346 HydrophobicContact CG2-CG 3.7Å |
| 343 | G | 91.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -127.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T340 T341 Y345 K346 | T340-G343 VanDerWaalsContact O-CA 3.32Å; T340-G343 WeakPolarHBondContact O-CA 3.33Å; T340-G343 PolarHBondContact O-N 3.11Å; T341-G343 PolarHBondContact O-N 3.31Å; G343-Y345 PolarHBondContact O-N 2.86Å; G343-K346 WeakPolarHBondContact O-CG 3.47Å; G343-K346 PolarHBondContact O-N 3.02Å |
| 344 | S | 88.7 | Confident | 92.2 | Very high | 99 Ų | 99 | 54 Ų | 54 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.5 | -179.4 | 60 | 0 | 0 | 0 | 0 | 113.9 | I342 K346 M347 | I342-S344 PolarHBondContact O-N 2.93Å; S344-K346 PolarHBondContact O-N 2.71Å; S344-M347 PolarHBondContact O-N 3.26Å |
| 345 | Y | 91.5 | Very high | 91.3 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 35% | 0.349 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -26.9 | 178.3 | -171.3 | -95.7 | 0 | 0 | 0 | 112.1 | L41 I342 G343 M347 N348 V349 R352 | L41-Y345 HydrophobicContact CD2-CD1 3.49Å; L41-Y345 VanDerWaalsContact CD2-CD1 3.49Å; L41-Y345 HydrophobicContact CD2-CE1 3.54Å; I342-Y345 HydrophobicContact CG2-CD1 4.08Å; I342-Y345 HydrophobicContact CG2-CG 4.49Å; I342-Y345 WeakPolarHBondContact O-CB 3.46Å; I342-Y345 PolarHBondContact O-N 2.96Å; G343-Y345 PolarHBondContact O-N 2.86Å; Y345-M347 VanDerWaalsContact C-N 3.25Å; Y345-M347 PolarHBondContact O-N 3.21Å; Y345-N348 WeakPolarHBondContact O-CA 3.46Å; Y345-N348 WeakPolarHBondContact O-CB 3.48Å; Y345-N348 PolarHBondContact O-N 3.42Å; Y345-V349 HydrophobicContact CD1-CG2 3.78Å; Y345-V349 HydrophobicContact CE1-CG2 3.51Å; Y345-V349 PolarHBondContact O-N 2.7Å; Y345-R352 PolarHBondContact OH-NH2 3.23Å |
| 346 | K | 92.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.6 | -42.2 | 172.3 | -60.9 | 175.7 | -169.8 | 175 | 0 | 112.4 | I38 V105 L339 I342 G343 S344 N348 V349 L350 | I38-K346 HydrophobicContact CD1-CB 3.79Å; I38-K346 HydrophobicContact CD1-CG 4.03Å; I38-K346 HydrophobicContact CG1-CB 4.44Å; I38-K346 HydrophobicContact CG1-CG 4.37Å; I38-K346 HydrophobicContact CG2-CG 4.23Å; V105-K346 HydrophobicContact CG1-CD 3.96Å; V105-K346 VanDerWaalsContact O-CD 3.26Å; V105-K346 WeakPolarHBondContact O-CD 3.2Å; L339-K346 WeakPolarHBondContact O-CE 3.49Å; L339-K346 PolarHBondContact O-NZ 3.32Å; I342-K346 HydrophobicContact CB-CG 4.41Å; I342-K346 HydrophobicContact CG2-CG 3.7Å; G343-K346 WeakPolarHBondContact O-CG 3.47Å; G343-K346 PolarHBondContact O-N 3.02Å; S344-K346 PolarHBondContact O-N 2.71Å; K346-N348 VanDerWaalsContact C-N 3.34Å; K346-V349 WeakPolarHBondContact O-CB 3.49Å; K346-V349 PolarHBondContact O-N 3.06Å; K346-L350 PolarHBondContact O-N 3.26Å |
| 347 | M | 89.2 | Confident | 89.5 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.5 | -31.4 | 179.3 | -62.5 | -53.1 | -61.7 | 0 | 0 | 111.9 | W106 S344 Y345 L350 K351 | W106-M347 HydrophobicContact CB-SD 4.01Å; S344-M347 PolarHBondContact O-N 3.26Å; Y345-M347 VanDerWaalsContact C-N 3.25Å; Y345-M347 PolarHBondContact O-N 3.21Å; M347-L350 HydrophobicContact CE-CD2 3.95Å; M347-L350 PolarHBondContact O-N 2.82Å; M347-L350 HydrophobicContact SD-CD2 4.49Å; M347-K351 WeakPolarHBondContact O-CB 3.33Å; M347-K351 PolarHBondContact O-N 3.28Å |
| 348 | N | 89.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 172.8 | -70.3 | -24 | 0 | 0 | 0 | 111.6 | Y345 K346 K351 R352 | Y345-N348 WeakPolarHBondContact O-CA 3.46Å; Y345-N348 WeakPolarHBondContact O-CB 3.48Å; Y345-N348 PolarHBondContact O-N 3.42Å; K346-N348 VanDerWaalsContact C-N 3.34Å; N348-K351 PolarHBondContact O-N 3.06Å; N348-R352 WeakPolarHBondContact O-CG 3.27Å; N348-R352 PolarHBondContact O-N 3.2Å |
| 349 | V | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -52.7 | 170.8 | 173.7 | 0 | 0 | 0 | 0 | 109.2 | P34 D37 I38 Y345 K346 K351 R352 Y353 | P34-V349 HydrophobicContact CB-CG1 4.33Å; D37-V349 HydrophobicContact CB-CG1 3.88Å; D37-V349 WeakPolarHBondContact OD2-CG1 3.44Å; I38-V349 HydrophobicContact CG1-CB 4.21Å; I38-V349 HydrophobicContact CG1-CG1 4.1Å; I38-V349 HydrophobicContact CG1-CG2 4.4Å; Y345-V349 HydrophobicContact CD1-CG2 3.78Å; Y345-V349 HydrophobicContact CE1-CG2 3.51Å; Y345-V349 PolarHBondContact O-N 2.7Å; K346-V349 WeakPolarHBondContact O-CB 3.49Å; K346-V349 PolarHBondContact O-N 3.06Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 2.83Å; V349-R352 WeakPolarHBondContact O-CB 3.32Å; V349-R352 PolarHBondContact O-N 3.36Å; V349-Y353 HydrophobicContact CG1-CE2 4.03Å; V349-Y353 VanDerWaalsContact O-CD2 3.25Å; V349-Y353 WeakPolarHBondContact O-CD2 3.41Å |
| 350 | L | 90.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 179 | -176.8 | 61.8 | 0 | 0 | 0 | 112.6 | P34 W106 I294 K346 M347 R352 Y353 V354 | P34-L350 HydrophobicContact CB-CD1 4.08Å; P34-L350 HydrophobicContact CG-CD1 4.14Å; W106-L350 HydrophobicContact CD2-CD2 4.49Å; W106-L350 HydrophobicContact CE3-CD2 4.49Å; W106-L350 HydrophobicContact CH2-CD1 4.23Å; W106-L350 HydrophobicContact CZ2-CD1 4.44Å; W106-L350 HydrophobicContact CZ3-CD1 4.45Å; I294-L350 HydrophobicContact CD1-CD2 3.8Å; I294-L350 HydrophobicContact CG1-CD2 4.22Å; I294-L350 HydrophobicContact CG2-CD1 3.76Å; I294-L350 HydrophobicContact CG2-CD2 4.07Å; I294-L350 HydrophobicContact CG2-CG 4.46Å; K346-L350 PolarHBondContact O-N 3.26Å; M347-L350 HydrophobicContact CE-CD2 3.95Å; M347-L350 PolarHBondContact O-N 2.82Å; M347-L350 HydrophobicContact SD-CD2 4.49Å; L350-R352 PolarHBondContact O-N 2.88Å; L350-R352 VanDerWaalsContact O-N 3.17Å; L350-Y353 PolarHBondContact O-N 2.95Å; L350-V354 HydrophobicContact CD1-CG2 4.16Å; L350-V354 PolarHBondContact O-N 3.28Å |
| 351 | K | 88.1 | Confident | 86.8 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61 | -23.1 | 178.2 | -169.4 | 176.9 | 179.6 | -177.7 | 0 | 113.7 | M347 N348 V349 Y353 V354 | M347-K351 WeakPolarHBondContact O-CB 3.33Å; M347-K351 PolarHBondContact O-N 3.28Å; N348-K351 PolarHBondContact O-N 3.06Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 2.83Å; K351-Y353 VanDerWaalsContact C-N 3.27Å; K351-Y353 PolarHBondContact O-N 3.49Å; K351-V354 WeakPolarHBondContact CA-O 3.11Å |
| 352 | R | 87.4 | Confident | 86.2 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.5 | -20.8 | 173.6 | -66.4 | 172.9 | -175.5 | 172.4 | 3.4 | 113.1 | R31 Y345 N348 V349 L350 | R31-R352 PolarHBondContact NH1-O 2.97Å; Y345-R352 PolarHBondContact OH-NH2 3.23Å; N348-R352 WeakPolarHBondContact O-CG 3.27Å; N348-R352 PolarHBondContact O-N 3.2Å; V349-R352 WeakPolarHBondContact O-CB 3.32Å; V349-R352 PolarHBondContact O-N 3.36Å; L350-R352 PolarHBondContact O-N 2.88Å; L350-R352 VanDerWaalsContact O-N 3.17Å |
| 353 | Y | 86.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 11% | 0.114 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -103 | -32.7 | 179.5 | -66.5 | -90.9 | 0 | 0 | 0 | 112.1 | R31 G33 P34 D37 F298 V349 L350 K351 | R31-Y353 HydrophobicContact CB-CE1 3.67Å; R31-Y353 HydrophobicContact CG-CE1 4.48Å; G33-Y353 PolarHBondContact N-OH 2.98Å; P34-Y353 HydrophobicContact CB-CD2 3.8Å; P34-Y353 HydrophobicContact CB-CE2 4.09Å; P34-Y353 HydrophobicContact CB-CG 4.36Å; P34-Y353 HydrophobicContact CG-CD2 4.31Å; P34-Y353 HydrophobicContact CG-CG 4.38Å; D37-Y353 PolarHBondContact OD2-OH 3.46Å; F298-Y353 HydrophobicContact CE2-CD1 4.3Å; V349-Y353 HydrophobicContact CG1-CE2 4.03Å; V349-Y353 VanDerWaalsContact O-CD2 3.25Å; V349-Y353 WeakPolarHBondContact O-CD2 3.41Å; L350-Y353 PolarHBondContact O-N 2.95Å; K351-Y353 VanDerWaalsContact C-N 3.27Å; K351-Y353 PolarHBondContact O-N 3.49Å |
| 354 | V | 85.3 | Confident | 85.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | trans | -119.8 | 107 | -179 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | E297 F298 L350 K351 S356 | E297-V354 HydrophobicContact CB-CG1 3.47Å; E297-V354 VanDerWaalsContact CB-CG1 3.47Å; E297-V354 HydrophobicContact CG-CG1 4.36Å; E297-V354 VanDerWaalsContact OE2-CG1 3.27Å; E297-V354 WeakPolarHBondContact OE2-CG1 3.11Å; F298-V354 HydrophobicContact CB-CG2 4Å; F298-V354 HydrophobicContact CD2-CG2 4.03Å; L350-V354 HydrophobicContact CD1-CG2 4.16Å; L350-V354 PolarHBondContact O-N 3.28Å; K351-V354 WeakPolarHBondContact CA-O 3.11Å; V354-S356 PolarHBondContact O-N 2.93Å | ||
| 355 | D | 77.8 | Confident | 85.3 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | trans | -89.4 | 94.3 | 170.8 | -171.1 | -5.3 | 0 | 0 | 0 | 109.9 | A357 V358 | D355-A357 PolarHBondContact O-N 3Å; D355-A357 VanDerWaalsContact O-N 3.08Å; D355-A357 WeakPolarHBondContact OD1-CB 3.36Å; D355-A357 PolarHBondContact OD1-N 3.28Å; D355-V358 HydrophobicContact CB-CB 4.32Å; D355-V358 HydrophobicContact CB-CG2 3.79Å; D355-V358 VanDerWaalsContact O-CB 3.32Å; D355-V358 WeakPolarHBondContact O-CB 3.26Å; D355-V358 PolarHBondContact O-N 3.44Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.23Å | ||
| 356 | S | 74.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 61 Ų | 61 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -16.5 | 177.6 | -56 | 0 | 0 | 0 | 0 | 113.3 | E297 V354 V358 T359 K360 | E297-S356 PolarHBondContact OE2-OG 2.97Å; V354-S356 PolarHBondContact O-N 2.93Å; S356-V358 VanDerWaalsContact C-N 3.3Å; S356-T359 WeakPolarHBondContact CA-OG1 3.22Å; S356-T359 PolarHBondContact O-N 3.03Å; S356-T359 PolarHBondContact O-OG1 3.41Å; S356-K360 WeakPolarHBondContact O-CB 3.34Å; S356-K360 PolarHBondContact O-N 3.33Å |
| 357 | A | 78.8 | Confident | 84.1 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D355 T359 K360 | D355-A357 PolarHBondContact O-N 3Å; D355-A357 VanDerWaalsContact O-N 3.08Å; D355-A357 WeakPolarHBondContact OD1-CB 3.36Å; D355-A357 PolarHBondContact OD1-N 3.28Å; A357-T359 VanDerWaalsContact C-N 3.35Å; A357-K360 WeakPolarHBondContact O-CB 3.39Å; A357-K360 PolarHBondContact O-N 3.44Å |
| 358 | V | 77.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | D355 S356 | D355-V358 HydrophobicContact CB-CB 4.32Å; D355-V358 HydrophobicContact CB-CG2 3.79Å; D355-V358 VanDerWaalsContact O-CB 3.32Å; D355-V358 WeakPolarHBondContact O-CB 3.26Å; D355-V358 PolarHBondContact O-N 3.44Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.23Å; S356-V358 VanDerWaalsContact C-N 3.3Å |
| 359 | T | 81.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -93.8 | -4.3 | -179.2 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | E297 L300 S356 A357 S361 N362 | E297-T359 HydrophobicContact CB-CG2 4.32Å; E297-T359 HydrophobicContact CG-CG2 4.28Å; E297-T359 PolarHBondContact OE2-OG1 3.31Å; L300-T359 HydrophobicContact CB-CG2 3.84Å; L300-T359 HydrophobicContact CD1-CG2 4.4Å; S356-T359 WeakPolarHBondContact CA-OG1 3.22Å; S356-T359 PolarHBondContact O-N 3.03Å; S356-T359 PolarHBondContact O-OG1 3.41Å; A357-T359 VanDerWaalsContact C-N 3.35Å; T359-S361 VanDerWaalsContact C-N 3.25Å; T359-S361 PolarHBondContact O-N 3.49Å; T359-N362 WeakPolarHBondContact CA-OD1 3.46Å; T359-N362 VanDerWaalsContact O-CB 3.28Å; T359-N362 WeakPolarHBondContact O-CB 3.26Å; T359-N362 PolarHBondContact O-N 2.93Å; T359-N362 PolarHBondContact O-OD1 3.23Å |
| 360 | K | 86.1 | Confident | 81 | Confident | 142 Ų | 142 | 72.1 Ų | 72.1 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -54.8 | -40.4 | -176.9 | -169.9 | 176.2 | -178 | 179.6 | 0 | 112.8 | S356 A357 N362 K363 | S356-K360 WeakPolarHBondContact O-CB 3.34Å; S356-K360 PolarHBondContact O-N 3.33Å; A357-K360 WeakPolarHBondContact O-CB 3.39Å; A357-K360 PolarHBondContact O-N 3.44Å; K360-N362 PolarHBondContact O-N 2.9Å; K360-K363 PolarHBondContact O-N 3.17Å |
| 361 | S | 83.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -63.6 | -23.9 | 179.3 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | T359 K363 | T359-S361 VanDerWaalsContact C-N 3.25Å; T359-S361 PolarHBondContact O-N 3.49Å; S361-K363 VanDerWaalsContact C-N 3.35Å |
| 362 | N | 84.3 | Confident | 78 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -82.5 | -14.4 | -178 | -55.6 | 93.8 | 0 | 0 | 0 | 112.6 | L300 R306 L309 L311 T359 K360 | L300-N362 HydrophobicContact CD1-CB 4.32Å; R306-N362 PolarHBondContact O-ND2 3.41Å; L309-N362 PolarHBondContact O-ND2 3.17Å; L311-N362 HydrophobicContact CB-CB 4.1Å; L311-N362 PolarHBondContact N-O 3.38Å; T359-N362 WeakPolarHBondContact CA-OD1 3.46Å; T359-N362 VanDerWaalsContact O-CB 3.28Å; T359-N362 WeakPolarHBondContact O-CB 3.26Å; T359-N362 PolarHBondContact O-N 2.93Å; T359-N362 PolarHBondContact O-OD1 3.23Å; K360-N362 PolarHBondContact O-N 2.9Å |
| 363 | K | 87.3 | Confident | 76.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 32% | 0.317 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -97.5 | -2.8 | -176.3 | -60.8 | -172.8 | -177.3 | -167.9 | 0 | 114.2 | E293 E297 L311 K360 S361 | E293-K363 IonicContact OE1-NZ 3.32Å; E293-K363 PolarHBondContact OE1-NZ 2.98Å; E297-K363 WeakPolarHBondContact OE1-CE 3.43Å; E297-K363 IonicContact OE1-NZ 3.96Å; E297-K363 PolarHBondContact OE1-NZ 3.12Å; L311-K363 HydrophobicContact CB-CG 4.43Å; L311-K363 HydrophobicContact CD2-CD 4.43Å; L311-K363 HydrophobicContact CD2-CG 4Å; L311-K363 HydrophobicContact CG-CG 4.42Å; K360-K363 PolarHBondContact O-N 3.17Å; S361-K363 VanDerWaalsContact C-N 3.35Å |
| 364 | H | 85.2 | Confident | 75.3 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 44% | 0.44 | 41% | 0.412 | S | S | . | . | trans | -63.6 | 140.5 | -178.3 | -74.3 | -61.2 | 0 | 0 | 0 | 111 | W310 Q366 | W310-H364 WeakPolarHBondContact CZ2-O 3.37Å; W310-H364 PolarHBondContact NE1-O 2.91Å; H364-Q366 PolarHBondContact O-N 2.94Å | ||
| 365 | P | 82.9 | Confident | 74.2 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -68.1 | -15.3 | -179.5 | 28 | -35.4 | 0 | 0 | 0 | 113 | R216 W310 | R216-P365 PolarHBondContact N-O 3.19Å; W310-P365 WeakPolarHBondContact CZ2-O 3.16Å |
| 366 | Q | 81.8 | Confident | 73.8 | Confident | 68 Ų | 68 | 87 Ų | 87 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.9 | 179.2 | -72.4 | 164.1 | 20.2 | 0 | 0 | 110.3 | V214 Q215 H364 | V214-Q366 WeakPolarHBondContact O-CA 3.45Å; Q215-Q366 VanDerWaalsContact CD-CG 3.42Å; Q215-Q366 VanDerWaalsContact CD-NE2 3.32Å; H364-Q366 PolarHBondContact O-N 2.94Å |
| 367 | V | 76.8 | Confident | 73.8 | Confident | 24 Ų | 24 | 89.8 Ų | 89.8 | 15% | 0.145 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.9 | 165.6 | 179 | 0 | 0 | 0 | 0 | 107.3 | K116 G213 V214 W310 | K116-V367 HydrophobicContact CB-CG2 4.26Å; K116-V367 HydrophobicContact CD-CG1 4.37Å; K116-V367 HydrophobicContact CD-CG2 3.74Å; K116-V367 HydrophobicContact CG-CG2 3.9Å; G213-V367 CarbonylContact C-O 3.51Å; G213-V367 VanDerWaalsContact CA-O 3.3Å; G213-V367 WeakPolarHBondContact CA-O 3.4Å; V214-V367 PolarHBondContact N-O 2.84Å; V214-V367 PolarHBondContact O-N 2.98Å; W310-V367 HydrophobicContact CD2-CG2 3.92Å; W310-V367 HydrophobicContact CE3-CG2 3.83Å; W310-V367 HydrophobicContact CH2-CB 4.31Å; W310-V367 HydrophobicContact CH2-CG2 3.71Å; W310-V367 HydrophobicContact CZ2-CG2 3.82Å; W310-V367 HydrophobicContact CZ3-CB 4.45Å; W310-V367 HydrophobicContact CZ3-CG2 3.73Å |
| 368 | R | 71.7 | Confident | 73.6 | Confident | 174 Ų | 174 | 94.8 Ų | 94.8 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.4 | 174.1 | -64.1 | -178.9 | -176.9 | 176.4 | 0.6 | 108.9 | P211 A212 Q370 | P211-R368 HydrophobicContact CB-CB 4.28Å; A212-R368 CarbonylContact O-C 3.56Å; A212-R368 WeakPolarHBondContact O-CA 3.1Å; R368-Q370 PolarHBondContact O-N 3.12Å |
| 369 | A | 67.6 | Low | 73.7 | Confident | 28 Ų | 28 | 96.1 Ų | 96.1 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 135.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | P119 P211 A212 V371 | P119-A369 HydrophobicContact CB-CB 4.1Å; P119-A369 HydrophobicContact CG-CB 3.58Å; P211-A369 HydrophobicContact CB-CB 4.41Å; A212-A369 HydrophobicContact CB-CB 4.25Å; A212-A369 WeakPolarHBondContact O-CB 3.38Å; A212-A369 PolarHBondContact O-N 3.26Å; A369-V371 PolarHBondContact O-N 3.27Å |
| 370 | Q | 64.7 | Low | 73.5 | Confident | 199 Ų | 199 | 100.6 Ų | 100.6 | 93% | 0.93 | 51% | 0.512 | S | S | * | . | trans | -68.3 | 103.4 | 168.5 | -70.6 | -173.3 | -9.9 | 0 | 0 | 107.3 | R368 | R368-Q370 PolarHBondContact O-N 3.12Š| ||
| 371 | V | 59 | Low | 73 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | trans | -90 | 112.5 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | P211 A369 T375 | P211-V371 HydrophobicContact CB-CG2 3.38Å; P211-V371 HydrophobicContact CG-CB 4.24Å; P211-V371 HydrophobicContact CG-CG2 3.49Å; P211-V371 VanDerWaalsContact CG-CG2 3.49Å; A369-V371 PolarHBondContact O-N 3.27Å; V371-T375 WeakPolarHBondContact CG1-OG1 3.26Å | ||
| 372 | S | 57.8 | Low | 72.8 | Confident | 66 Ų | 66 | 94.1 Ų | 94.1 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | trans | -62.4 | 132.9 | 161.5 | 172.9 | 0 | 0 | 0 | 0 | 107.3 | Y374 T375 | S372-Y374 PolarHBondContact O-N 3.25Å; S372-T375 PolarHBondContact O-N 2.54Å; S372-T375 PolarHBondContact O-OG1 2.81Å | ||
| 373 | P | 57.6 | Low | 72.8 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 72% | 0.721 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -8.9 | -178.4 | 18.1 | -29 | 0 | 0 | 0 | 114.4 | ||
| 374 | Y | 59.2 | Low | 72.6 | Confident | 194 Ų | 194 | 101 Ų | 101 | 76% | 0.761 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 30 | -179.5 | -54.3 | -76 | 0 | 0 | 0 | 113.7 | S372 Q376 | S372-Y374 PolarHBondContact O-N 3.25Å; Y374-Q376 PolarHBondContact O-N 3.48Å |
| 375 | T | 63.1 | Low | 72.7 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | trans | -66.1 | 102.1 | 177.4 | 0.6 | 0 | 0 | 0 | 0 | 109.6 | V371 S372 | V371-T375 WeakPolarHBondContact CG1-OG1 3.26Å; S372-T375 PolarHBondContact O-N 2.54Å; S372-T375 PolarHBondContact O-OG1 2.81Å | ||
| 376 | Q | 69.4 | Low | 73 | Confident | 172 Ų | 172 | 102.8 Ų | 102.8 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | trans | -60.2 | 140.1 | 179.1 | -71.4 | -178.7 | -13.7 | 0 | 0 | 110.4 | Y374 R378 | Y374-Q376 PolarHBondContact O-N 3.48Å; Q376-R378 PolarHBondContact O-N 3.06Å | ||
| 377 | L | 73.9 | Confident | 73.5 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | trans | -63.6 | 103.5 | 175.7 | -166.2 | 78.9 | 0 | 0 | 0 | 109.5 | L208 H381 | L208-L377 HydrophobicContact CD1-CD1 4.21Å; L208-L377 HydrophobicContact CD2-CD1 3.59Å; L208-L377 HydrophobicContact CG-CD1 4.38Å; L377-H381 HydrophobicContact CD1-CB 4.1Å | ||
| 378 | R | 75 | Confident | 74.1 | Confident | 177 Ų | 177 | 106.5 Ų | 106.5 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | trans | -71.1 | 149.3 | 173.5 | -65.8 | -175.6 | 179.6 | -177.4 | 0 | 111.6 | Q376 D380 H381 | Q376-R378 PolarHBondContact O-N 3.06Å; R378-D380 HydrophobicContact CB-CB 4.48Å; R378-D380 PolarHBondContact O-N 3.24Å; R378-D380 VanDerWaalsContact O-N 3.12Å; R378-H381 PolarHBondContact N-CE1 3.37Å; R378-H381 PolarHBondContact N-ND1 2.76Å; R378-H381 WeakPolarHBondContact O-CB 3.4Å; R378-H381 PolarHBondContact O-N 2.85Å; R378-H381 PolarHBondContact O-ND1 2.81Å | ||
| 379 | A | 79.8 | Confident | 75.1 | Confident | 77 Ų | 77 | 106 Ų | 106 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H381 G382 K383 | A379-H381 PolarHBondContact O-N 2.71Å; A379-G382 CarbonylContact O-C 3.56Å; A379-G382 PolarHBondContact O-N 3.2Å; A379-K383 PolarHBondContact O-N 2.95Å |
| 380 | D | 77.2 | Confident | 76.4 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -56.2 | -34.5 | 175.8 | -64.1 | -32.9 | 0 | 0 | 0 | 113 | I122 R378 G382 K383 | I122-D380 HydrophobicContact CD1-CB 4.06Å; R378-D380 HydrophobicContact CB-CB 4.48Å; R378-D380 PolarHBondContact O-N 3.24Å; R378-D380 VanDerWaalsContact O-N 3.12Å; D380-G382 PolarHBondContact O-N 2.99Å; D380-K383 WeakPolarHBondContact O-CB 3.46Å; D380-K383 PolarHBondContact O-N 2.76Å |
| 381 | H | 75.3 | Confident | 77.9 | Confident | 49 Ų | 49 | 102.5 Ų | 102.5 | 23% | 0.227 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -64.2 | -28.7 | 177 | -57 | 108.5 | 0 | 0 | 0 | 112.5 | L377 R378 A379 | L377-H381 HydrophobicContact CD1-CB 4.1Å; R378-H381 PolarHBondContact N-CE1 3.37Å; R378-H381 PolarHBondContact N-ND1 2.76Å; R378-H381 WeakPolarHBondContact O-CB 3.4Å; R378-H381 PolarHBondContact O-N 2.85Å; R378-H381 PolarHBondContact O-ND1 2.81Å; A379-H381 PolarHBondContact O-N 2.71Å |
| 382 | G | 79.3 | Confident | 79.6 | Confident | 15 Ų | 15 | 101.7 Ų | 101.7 | 16% | 0.155 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -95.9 | -1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A379 D380 N384 L385 F386 | A379-G382 CarbonylContact O-C 3.56Å; A379-G382 PolarHBondContact O-N 3.2Å; D380-G382 PolarHBondContact O-N 2.99Å; G382-N384 VanDerWaalsContact C-N 3.28Å; G382-N384 PolarHBondContact O-N 2.88Å; G382-N384 VanDerWaalsContact O-N 3.15Å; G382-L385 WeakPolarHBondContact O-CA 3.5Å; G382-L385 WeakPolarHBondContact O-CB 3.49Å; G382-L385 PolarHBondContact O-N 3.03Å; G382-F386 WeakPolarHBondContact O-CD2 3.47Å; G382-F386 PolarHBondContact O-N 3.32Å |
| 383 | K | 84.9 | Confident | 81.5 | Confident | 126 Ų | 126 | 101.5 Ų | 101.5 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -50.2 | -46.8 | -171.9 | -179.7 | 178.1 | 177.5 | 178.6 | 0 | 113 | A379 D380 L385 F386 I387 | A379-K383 PolarHBondContact O-N 2.95Å; D380-K383 WeakPolarHBondContact O-CB 3.46Å; D380-K383 PolarHBondContact O-N 2.76Å; K383-L385 VanDerWaalsContact C-N 3.35Å; K383-L385 PolarHBondContact O-N 3.18Å; K383-F386 PolarHBondContact O-N 3.48Å; K383-I387 HydrophobicContact CG-CD1 3.98Å; K383-I387 VanDerWaalsContact O-CG1 3.32Å; K383-I387 WeakPolarHBondContact O-CG1 3.42Å; K383-I387 PolarHBondContact O-N 3.36Å |
| 384 | N | 83.3 | Confident | 83.4 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -34.5 | -179.9 | -70.4 | -21.1 | 0 | 0 | 0 | 112.8 | G382 Q388 | G382-N384 VanDerWaalsContact C-N 3.28Å; G382-N384 PolarHBondContact O-N 2.88Å; G382-N384 VanDerWaalsContact O-N 3.15Å; N384-Q388 WeakPolarHBondContact O-CB 3.24Å; N384-Q388 VanDerWaalsContact O-CG 3.28Å; N384-Q388 WeakPolarHBondContact O-CG 3.32Å; N384-Q388 PolarHBondContact O-N 3.38Å |
| 385 | L | 86.7 | Confident | 85.1 | Confident | 76 Ų | 76 | 94.8 Ų | 94.8 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.3 | -72.4 | 173.6 | 0 | 0 | 0 | 111.1 | F124 A126 G382 K383 I387 Q388 Y389 | F124-L385 HydrophobicContact CD1-CD1 4.43Å; F124-L385 HydrophobicContact CE1-CD1 3.52Å; F124-L385 HydrophobicContact CE1-CD2 4.32Å; F124-L385 HydrophobicContact CE1-CG 3.85Å; F124-L385 HydrophobicContact CZ-CD1 4.18Å; A126-L385 HydrophobicContact CB-CD2 3.62Å; A126-L385 HydrophobicContact CB-CG 4.42Å; G382-L385 WeakPolarHBondContact O-CA 3.5Å; G382-L385 WeakPolarHBondContact O-CB 3.49Å; G382-L385 PolarHBondContact O-N 3.03Å; K383-L385 VanDerWaalsContact C-N 3.35Å; K383-L385 PolarHBondContact O-N 3.18Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.11Å; L385-Q388 PolarHBondContact O-N 3.1Å; L385-Y389 WeakPolarHBondContact O-CB 3.24Å; L385-Y389 PolarHBondContact O-N 2.7Å |
| 386 | F | 89.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176.9 | -70.1 | -64.6 | 0 | 0 | 0 | 111.4 | G382 K383 Q388 Y389 S390 | G382-F386 WeakPolarHBondContact O-CD2 3.47Å; G382-F386 PolarHBondContact O-N 3.32Å; K383-F386 PolarHBondContact O-N 3.48Å; F386-Q388 PolarHBondContact O-N 3.16Å; F386-Y389 PolarHBondContact O-N 3.31Å; F386-S390 WeakPolarHBondContact O-CB 3.4Å; F386-S390 PolarHBondContact O-N 3.23Å; F386-S390 PolarHBondContact O-OG 2.96Å; F386-S390 VanDerWaalsContact O-OG 3.05Å |
| 387 | I | 90.8 | Very high | 88 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.3 | -67.2 | 166.1 | 0 | 0 | 0 | 110.7 | K383 L385 Y389 S390 V391 | K383-I387 HydrophobicContact CG-CD1 3.98Å; K383-I387 VanDerWaalsContact O-CG1 3.32Å; K383-I387 WeakPolarHBondContact O-CG1 3.42Å; K383-I387 PolarHBondContact O-N 3.36Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.11Å; I387-Y389 VanDerWaalsContact C-N 3.34Å; I387-Y389 PolarHBondContact O-N 3.23Å; I387-S390 PolarHBondContact O-N 2.94Å; I387-V391 HydrophobicContact CG2-CG2 4.48Å; I387-V391 VanDerWaalsContact O-CG2 3.31Å; I387-V391 WeakPolarHBondContact O-CG2 3.46Å; I387-V391 PolarHBondContact O-N 3.3Å |
| 388 | Q | 89.6 | Confident | 89.1 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 178.7 | -75.1 | 174.1 | -6 | 0 | 0 | 112.2 | N384 L385 F386 V391 A392 | N384-Q388 WeakPolarHBondContact O-CB 3.24Å; N384-Q388 VanDerWaalsContact O-CG 3.28Å; N384-Q388 WeakPolarHBondContact O-CG 3.32Å; N384-Q388 PolarHBondContact O-N 3.38Å; L385-Q388 PolarHBondContact O-N 3.1Å; F386-Q388 PolarHBondContact O-N 3.16Å; Q388-V391 PolarHBondContact O-N 3.46Å; Q388-A392 WeakPolarHBondContact O-CB 3.36Å; Q388-A392 PolarHBondContact O-N 2.9Å |
| 389 | Y | 93 | Very high | 90 | Very high | 165 Ų | 165 | 80.1 Ų | 80.1 | 65% | 0.647 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 176 | -179.8 | -101.9 | 0 | 0 | 0 | 111.8 | L385 F386 I387 V391 A392 V393 | L385-Y389 WeakPolarHBondContact O-CB 3.24Å; L385-Y389 PolarHBondContact O-N 2.7Å; F386-Y389 PolarHBondContact O-N 3.31Å; I387-Y389 VanDerWaalsContact C-N 3.34Å; I387-Y389 PolarHBondContact O-N 3.23Å; Y389-V391 VanDerWaalsContact C-N 3.32Å; Y389-V391 PolarHBondContact O-N 3.27Å; Y389-A392 PolarHBondContact O-N 3.48Å; Y389-A392 VanDerWaalsContact O-N 3.16Å; Y389-V393 HydrophobicContact CD1-CG2 4.2Å; Y389-V393 HydrophobicContact CE1-CG2 3.77Å; Y389-V393 HydrophobicContact CE2-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CG2 3.41Å; Y389-V393 PolarHBondContact O-N 2.95Å |
| 390 | S | 95 | Very high | 90.7 | Very high | 74 Ų | 74 | 82.2 Ų | 82.2 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.1 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | F386 I387 V393 A394 | F386-S390 WeakPolarHBondContact O-CB 3.4Å; F386-S390 PolarHBondContact O-N 3.23Å; F386-S390 PolarHBondContact O-OG 2.96Å; F386-S390 VanDerWaalsContact O-OG 3.05Å; I387-S390 PolarHBondContact O-N 2.94Å; S390-V393 PolarHBondContact O-N 3.15Å; S390-A394 WeakPolarHBondContact O-CB 3.45Å; S390-A394 PolarHBondContact O-N 2.89Å |
| 391 | V | 96.2 | Very high | 91.6 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I387 Q388 Y389 V393 A394 I395 | I387-V391 HydrophobicContact CG2-CG2 4.48Å; I387-V391 VanDerWaalsContact O-CG2 3.31Å; I387-V391 WeakPolarHBondContact O-CG2 3.46Å; I387-V391 PolarHBondContact O-N 3.3Å; Q388-V391 PolarHBondContact O-N 3.46Å; Y389-V391 VanDerWaalsContact C-N 3.32Å; Y389-V391 PolarHBondContact O-N 3.27Å; V391-V393 PolarHBondContact O-N 2.74Å; V391-A394 PolarHBondContact O-N 2.86Å; V391-I395 HydrophobicContact CG1-CD1 3.88Å; V391-I395 WeakPolarHBondContact O-CG1 3.22Å; V391-I395 PolarHBondContact O-N 3.43Å |
| 392 | A | 94.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 85.5 Ų | 85.5 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q388 Y389 I395 S396 | Q388-A392 WeakPolarHBondContact O-CB 3.36Å; Q388-A392 PolarHBondContact O-N 2.9Å; Y389-A392 PolarHBondContact O-N 3.48Å; Y389-A392 VanDerWaalsContact O-N 3.16Å; A392-I395 PolarHBondContact O-N 3.02Å; A392-S396 WeakPolarHBondContact O-CB 3.31Å; A392-S396 PolarHBondContact O-N 3.42Å; A392-S396 PolarHBondContact O-OG 3.02Å |
| 393 | V | 97.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.376 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | Y389 S390 V391 I395 S396 V397 | Y389-V393 HydrophobicContact CD1-CG2 4.2Å; Y389-V393 HydrophobicContact CE1-CG2 3.77Å; Y389-V393 HydrophobicContact CE2-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CG2 3.41Å; Y389-V393 PolarHBondContact O-N 2.95Å; S390-V393 PolarHBondContact O-N 3.15Å; V391-V393 PolarHBondContact O-N 2.74Å; V393-I395 PolarHBondContact O-N 2.89Å; V393-S396 PolarHBondContact O-N 3.27Å; V393-V397 HydrophobicContact CG1-CG2 4.39Å; V393-V397 WeakPolarHBondContact O-CG2 3.48Å; V393-V397 PolarHBondContact O-N 3.48Å |
| 394 | A | 97.4 | Very high | 93.7 | Very high | 62 Ų | 62 | 88.6 Ų | 88.6 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S390 V391 V397 A398 | S390-A394 WeakPolarHBondContact O-CB 3.45Å; S390-A394 PolarHBondContact O-N 2.89Å; V391-A394 PolarHBondContact O-N 2.86Å; A394-V397 PolarHBondContact O-N 2.79Å; A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.37Å |
| 395 | I | 96.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 89.7 Ų | 89.7 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.8 | -66.9 | 166.9 | 0 | 0 | 0 | 110.5 | V391 A392 V393 V397 A398 V399 | V391-I395 HydrophobicContact CG1-CD1 3.88Å; V391-I395 WeakPolarHBondContact O-CG1 3.22Å; V391-I395 PolarHBondContact O-N 3.43Å; A392-I395 PolarHBondContact O-N 3.02Å; V393-I395 PolarHBondContact O-N 2.89Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 2.89Å; I395-A398 PolarHBondContact O-N 3.29Å; I395-V399 HydrophobicContact CG2-CG2 4.4Å; I395-V399 WeakPolarHBondContact O-CG2 3.5Å; I395-V399 PolarHBondContact O-N 2.96Å |
| 396 | S | 95.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 93.9 Ų | 93.9 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 179.9 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | A392 V393 V399 F400 | A392-S396 WeakPolarHBondContact O-CB 3.31Å; A392-S396 PolarHBondContact O-N 3.42Å; A392-S396 PolarHBondContact O-OG 3.02Å; V393-S396 PolarHBondContact O-N 3.27Å; S396-V399 PolarHBondContact O-N 3.4Å; S396-F400 WeakPolarHBondContact O-CB 3.33Å; S396-F400 PolarHBondContact O-N 2.98Å |
| 397 | V | 97 | Very high | 94.7 | Very high | 77 Ų | 77 | 89.6 Ų | 89.6 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V393 A394 I395 F400 L401 | V393-V397 HydrophobicContact CG1-CG2 4.39Å; V393-V397 WeakPolarHBondContact O-CG2 3.48Å; V393-V397 PolarHBondContact O-N 3.48Å; A394-V397 PolarHBondContact O-N 2.79Å; I395-V397 VanDerWaalsContact C-N 3.34Å; I395-V397 PolarHBondContact O-N 2.89Å; V397-F400 PolarHBondContact O-N 2.94Å; V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.13Å; V397-L401 PolarHBondContact O-N 3.31Å |
| 398 | A | 96.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 88.9 Ų | 88.9 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A394 I395 L401 M402 | A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.37Å; I395-A398 PolarHBondContact O-N 3.29Å; A398-L401 PolarHBondContact O-N 3.2Å; A398-M402 WeakPolarHBondContact O-CG 3.28Å; A398-M402 PolarHBondContact O-N 3.22Å |
| 399 | V | 95.1 | Very high | 95 | Very high | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.376 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | I395 S396 L401 M402 E403 | I395-V399 HydrophobicContact CG2-CG2 4.4Å; I395-V399 WeakPolarHBondContact O-CG2 3.5Å; I395-V399 PolarHBondContact O-N 2.96Å; S396-V399 PolarHBondContact O-N 3.4Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 2.87Å; V399-M402 HydrophobicContact CB-CE 4.46Å; V399-M402 HydrophobicContact CG2-CE 4.06Å; V399-M402 PolarHBondContact O-N 3.36Å; V399-E403 HydrophobicContact CG1-CG 4.49Å; V399-E403 WeakPolarHBondContact O-CG 3.39Å; V399-E403 PolarHBondContact O-N 3.06Å |
| 400 | F | 94.8 | Very high | 94.9 | Very high | 121 Ų | 121 | 85.4 Ų | 85.4 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 177.1 | 178.9 | -106.2 | 0 | 0 | 0 | 112.5 | S396 V397 E403 L404 | S396-F400 WeakPolarHBondContact O-CB 3.33Å; S396-F400 PolarHBondContact O-N 2.98Å; V397-F400 PolarHBondContact O-N 2.94Å; F400-E403 PolarHBondContact O-N 2.94Å; F400-L404 HydrophobicContact CD1-CD1 3.91Å; F400-L404 HydrophobicContact CE1-CD1 3.4Å; F400-L404 VanDerWaalsContact CE1-CD1 3.4Å; F400-L404 HydrophobicContact CE1-CG 4.21Å; F400-L404 HydrophobicContact CE2-CD1 4.48Å; F400-L404 HydrophobicContact CE2-CG 4.49Å; F400-L404 HydrophobicContact CZ-CD1 3.74Å; F400-L404 HydrophobicContact CZ-CD2 4.41Å; F400-L404 HydrophobicContact CZ-CG 4.18Å; F400-L404 WeakPolarHBondContact O-CG 3.34Å; F400-L404 PolarHBondContact O-N 2.93Å |
| 401 | L | 96.1 | Very high | 94.8 | Very high | 94 Ų | 94 | 89.5 Ų | 89.5 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.7 | -70 | 174.2 | 0 | 0 | 0 | 112 | V397 A398 V399 L404 L405 | V397-L401 HydrophobicContact CG1-CD1 4.05Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 VanDerWaalsContact O-CG 3.32Å; V397-L401 WeakPolarHBondContact O-CG 3.13Å; V397-L401 PolarHBondContact O-N 3.31Å; A398-L401 PolarHBondContact O-N 3.2Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 2.87Å; L401-L404 PolarHBondContact O-N 2.78Å; L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 2.97Å |
| 402 | M | 95.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 93 Ų | 93 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 174.9 | -73.1 | -172.8 | -64.8 | 0 | 0 | 112 | A398 V399 L405 W406 | A398-M402 WeakPolarHBondContact O-CG 3.28Å; A398-M402 PolarHBondContact O-N 3.22Å; V399-M402 HydrophobicContact CB-CE 4.46Å; V399-M402 HydrophobicContact CG2-CE 4.06Å; V399-M402 PolarHBondContact O-N 3.36Å; M402-L405 PolarHBondContact O-N 3.48Å; M402-W406 VanDerWaalsContact O-CB 3.3Å; M402-W406 WeakPolarHBondContact O-CB 3.39Å; M402-W406 PolarHBondContact O-N 3.49Å |
| 403 | E | 93 | Very high | 94.3 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 175.5 | -73.6 | -178.9 | 176.8 | 0 | 0 | 112 | V399 F400 W406 A407 | V399-E403 HydrophobicContact CG1-CG 4.49Å; V399-E403 WeakPolarHBondContact O-CG 3.39Å; V399-E403 PolarHBondContact O-N 3.06Å; F400-E403 PolarHBondContact O-N 2.94Å; E403-W406 PolarHBondContact O-N 3.2Å; E403-A407 VanDerWaalsContact O-CB 3.3Å; E403-A407 WeakPolarHBondContact O-CB 3.21Å; E403-A407 PolarHBondContact O-N 2.84Å |
| 404 | L | 94.6 | Very high | 94 | Very high | 84 Ų | 84 | 99.7 Ų | 99.7 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.4 | -74.9 | 176.6 | 0 | 0 | 0 | 112.4 | F400 L401 A407 S408 | F400-L404 HydrophobicContact CD1-CD1 3.91Å; F400-L404 HydrophobicContact CE1-CD1 3.4Å; F400-L404 VanDerWaalsContact CE1-CD1 3.4Å; F400-L404 HydrophobicContact CE1-CG 4.21Å; F400-L404 HydrophobicContact CE2-CD1 4.48Å; F400-L404 HydrophobicContact CE2-CG 4.49Å; F400-L404 HydrophobicContact CZ-CD1 3.74Å; F400-L404 HydrophobicContact CZ-CD2 4.41Å; F400-L404 HydrophobicContact CZ-CG 4.18Å; F400-L404 WeakPolarHBondContact O-CG 3.34Å; F400-L404 PolarHBondContact O-N 2.93Å; L401-L404 PolarHBondContact O-N 2.78Å; L404-A407 PolarHBondContact O-N 3.34Å; L404-S408 WeakPolarHBondContact O-CB 3.42Å; L404-S408 PolarHBondContact O-N 3.44Å; L404-S408 PolarHBondContact O-OG 3.46Å |
| 405 | L | 95 | Very high | 93.6 | Very high | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 175.5 | -72.5 | 173 | 0 | 0 | 0 | 110.7 | L401 M402 A407 S408 I409 | L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 2.97Å; M402-L405 PolarHBondContact O-N 3.48Å; L405-A407 PolarHBondContact O-N 2.78Å; L405-S408 WeakPolarHBondContact O-CB 3.35Å; L405-S408 PolarHBondContact O-N 2.78Å; L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.5Å; L405-I409 PolarHBondContact O-N 2.85Å |
| 406 | W | 93.4 | Very high | 93.1 | Very high | 164 Ų | 164 | 104.5 Ų | 104.5 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 177.5 | -174.5 | -101.2 | 0 | 0 | 0 | 112.1 | M402 E403 S408 I409 Q410 | M402-W406 VanDerWaalsContact O-CB 3.3Å; M402-W406 WeakPolarHBondContact O-CB 3.39Å; M402-W406 PolarHBondContact O-N 3.49Å; E403-W406 PolarHBondContact O-N 3.2Å; W406-S408 VanDerWaalsContact C-N 3.28Å; W406-S408 PolarHBondContact O-N 3.33Å; W406-I409 PolarHBondContact O-N 2.88Å; W406-Q410 WeakPolarHBondContact O-CB 3.43Å; W406-Q410 WeakPolarHBondContact O-CG 3.29Å; W406-Q410 PolarHBondContact O-N 3.19Å |
| 407 | A | 92.5 | Very high | 92.7 | Very high | 40 Ų | 40 | 104.7 Ų | 104.7 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E403 L404 L405 K411 | E403-A407 VanDerWaalsContact O-CB 3.3Å; E403-A407 WeakPolarHBondContact O-CB 3.21Å; E403-A407 PolarHBondContact O-N 2.84Å; L404-A407 PolarHBondContact O-N 3.34Å; L405-A407 PolarHBondContact O-N 2.78Å; A407-K411 WeakPolarHBondContact O-CG 3.09Å; A407-K411 PolarHBondContact O-N 2.9Å |
| 408 | S | 92.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 108.7 Ų | 108.7 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | L404 L405 W406 K411 W412 | L404-S408 WeakPolarHBondContact O-CB 3.42Å; L404-S408 PolarHBondContact O-N 3.44Å; L404-S408 PolarHBondContact O-OG 3.46Å; L405-S408 WeakPolarHBondContact O-CB 3.35Å; L405-S408 PolarHBondContact O-N 2.78Å; W406-S408 VanDerWaalsContact C-N 3.28Å; W406-S408 PolarHBondContact O-N 3.33Å; S408-K411 PolarHBondContact O-N 3.18Å; S408-W412 WeakPolarHBondContact O-CB 3.42Å; S408-W412 PolarHBondContact O-N 3.31Å |
| 409 | I | 92.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 109.6 Ų | 109.6 | 43% | 0.431 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.8 | -69.1 | 164.6 | 0 | 0 | 0 | 110.5 | L405 W406 K411 W412 L413 | L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.5Å; L405-I409 PolarHBondContact O-N 2.85Å; W406-I409 PolarHBondContact O-N 2.88Å; I409-K411 PolarHBondContact O-N 2.86Å; I409-W412 PolarHBondContact O-N 3.41Å; I409-L413 HydrophobicContact CG2-CD1 3.8Å; I409-L413 HydrophobicContact CG2-CG 4.24Å; I409-L413 WeakPolarHBondContact O-CB 3.4Å; I409-L413 WeakPolarHBondContact O-CG 3.47Å; I409-L413 PolarHBondContact O-N 3Å |
| 410 | Q | 92.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 117 Ų | 117 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.3 | -75.9 | -167.4 | -24.4 | 0 | 0 | 112.5 | W406 K414 | W406-Q410 WeakPolarHBondContact O-CB 3.43Å; W406-Q410 WeakPolarHBondContact O-CG 3.29Å; W406-Q410 PolarHBondContact O-N 3.19Å; Q410-K414 WeakPolarHBondContact O-CB 3.09Å; Q410-K414 WeakPolarHBondContact O-CG 3.38Å; Q410-K414 PolarHBondContact O-N 3.29Å |
| 411 | K | 91.9 | Very high | 90 | Very high | 159 Ų | 159 | 115.8 Ų | 115.8 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 173.6 | -77.1 | 177.8 | -178.1 | 178.9 | 0 | 111.3 | A407 S408 I409 K414 Y415 | A407-K411 WeakPolarHBondContact O-CG 3.09Å; A407-K411 PolarHBondContact O-N 2.9Å; S408-K411 PolarHBondContact O-N 3.18Å; I409-K411 PolarHBondContact O-N 2.86Å; K411-K414 PolarHBondContact O-N 3.09Å; K411-Y415 WeakPolarHBondContact O-CB 3.31Å; K411-Y415 PolarHBondContact O-N 3.31Å |
| 412 | W | 91 | Very high | 89.1 | Confident | 152 Ų | 152 | 114.4 Ų | 114.4 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 178.1 | -174.4 | 87.2 | 0 | 0 | 0 | 112.4 | S408 I409 Y415 W416 | S408-W412 WeakPolarHBondContact O-CB 3.42Å; S408-W412 PolarHBondContact O-N 3.31Å; I409-W412 PolarHBondContact O-N 3.41Å; W412-Y415 WeakPolarHBondContact O-CB 3.43Å; W412-Y415 PolarHBondContact O-N 2.91Å; W412-W416 AromaticContact CD2-CD1 3.59Å; W412-W416 AromaticContact CD2-NE1 3.95Å; W412-W416 AromaticContact CE2-CD1 3.3Å; W412-W416 AromaticContact CE2-NE1 3.14Å; W412-W416 AromaticContact CH2-CD1 3.94Å; W412-W416 HydrophobicContact CH2-CG 4.47Å; W412-W416 AromaticContact CH2-NE1 3.83Å; W412-W416 AromaticContact CZ2-CD1 3.52Å; W412-W416 AromaticContact CZ2-CE2 3.79Å; W412-W416 HydrophobicContact CZ2-CG 4.38Å; W412-W416 HydrophobicContact CZ2-CZ2 4.38Å; W412-W416 AromaticContact CZ2-NE1 3.09Å; W412-W416 AromaticContact NE1-CD1 3.66Å; W412-W416 AromaticContact NE1-NE1 3.36Å; W412-W416 PolarHBondContact O-N 2.87Å |
| 413 | L | 90.8 | Very high | 87.6 | Confident | 97 Ų | 97 | 111.9 Ų | 111.9 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -42.2 | 175.3 | -74.7 | 171.6 | 0 | 0 | 0 | 112.2 | I409 Y415 W416 S417 | I409-L413 HydrophobicContact CG2-CD1 3.8Å; I409-L413 HydrophobicContact CG2-CG 4.24Å; I409-L413 WeakPolarHBondContact O-CB 3.4Å; I409-L413 WeakPolarHBondContact O-CG 3.47Å; I409-L413 PolarHBondContact O-N 3Å; L413-Y415 VanDerWaalsContact C-N 3.33Å; L413-Y415 PolarHBondContact O-N 2.76Å; L413-W416 PolarHBondContact O-N 3.34Å; L413-S417 WeakPolarHBondContact O-CB 3.35Å; L413-S417 PolarHBondContact O-N 3.31Å |
| 414 | K | 90.5 | Very high | 86 | Confident | 156 Ų | 156 | 110.7 Ų | 110.7 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.3 | -40.9 | 174 | -77.6 | -178.7 | 179.8 | -178.4 | 0 | 111.7 | Q410 K411 K418 | Q410-K414 WeakPolarHBondContact O-CB 3.09Å; Q410-K414 WeakPolarHBondContact O-CG 3.38Å; Q410-K414 PolarHBondContact O-N 3.29Å; K411-K414 PolarHBondContact O-N 3.09Å; K414-K418 WeakPolarHBondContact O-CB 3.39Å; K414-K418 PolarHBondContact O-N 3.11Å |
| 415 | Y | 89.4 | Confident | 84.2 | Confident | 151 Ų | 151 | 113.2 Ų | 113.2 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -47.3 | 175.4 | 178.3 | -95.6 | 0 | 0 | 0 | 111.8 | K411 W412 L413 K418 K419 | K411-Y415 WeakPolarHBondContact O-CB 3.31Å; K411-Y415 PolarHBondContact O-N 3.31Å; W412-Y415 WeakPolarHBondContact O-CB 3.43Å; W412-Y415 PolarHBondContact O-N 2.91Å; L413-Y415 VanDerWaalsContact C-N 3.33Å; L413-Y415 PolarHBondContact O-N 2.76Å; Y415-K418 PolarHBondContact O-N 2.87Å; Y415-K419 PolarHBondContact O-N 3.3Å |
| 416 | W | 84.7 | Confident | 82.5 | Confident | 113 Ų | 113 | 113.1 Ų | 113.1 | 43% | 0.428 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66 | -41.7 | 177.5 | -91.6 | 89.1 | 0 | 0 | 0 | 113.5 | W412 L413 K418 K419 R420 | W412-W416 AromaticContact CD2-CD1 3.59Å; W412-W416 AromaticContact CD2-NE1 3.95Å; W412-W416 AromaticContact CE2-CD1 3.3Å; W412-W416 AromaticContact CE2-NE1 3.14Å; W412-W416 AromaticContact CH2-CD1 3.94Å; W412-W416 HydrophobicContact CH2-CG 4.47Å; W412-W416 AromaticContact CH2-NE1 3.83Å; W412-W416 AromaticContact CZ2-CD1 3.52Å; W412-W416 AromaticContact CZ2-CE2 3.79Å; W412-W416 HydrophobicContact CZ2-CG 4.38Å; W412-W416 HydrophobicContact CZ2-CZ2 4.38Å; W412-W416 AromaticContact CZ2-NE1 3.09Å; W412-W416 AromaticContact NE1-CD1 3.66Å; W412-W416 AromaticContact NE1-NE1 3.36Å; W412-W416 PolarHBondContact O-N 2.87Å; L413-W416 PolarHBondContact O-N 3.34Å; W416-K418 VanDerWaalsContact C-N 3.31Å; W416-K418 PolarHBondContact O-N 3.08Å; W416-K419 PolarHBondContact O-N 2.02Å; W416-R420 WeakPolarHBondContact O-CB 3.42Å; W416-R420 PolarHBondContact O-N 2.87Å |
| 417 | S | 86.7 | Confident | 81.1 | Confident | 81 Ų | 81 | 111.2 Ų | 111.2 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.8 | -43.5 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | L413 R420 S421 | L413-S417 WeakPolarHBondContact O-CB 3.35Å; L413-S417 PolarHBondContact O-N 3.31Å; S417-R420 PolarHBondContact O-N 3.34Å; S417-S421 PolarHBondContact O-N 3.14Å; S417-S421 PolarHBondContact O-OG 3.13Å; S417-S421 VanDerWaalsContact O-OG 3.1Å |
| 418 | K | 86 | Confident | 78.8 | Confident | 160 Ų | 160 | 124.2 Ų | 124.2 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 177.8 | -167.3 | 176.1 | -177.5 | -179.6 | 0 | 112 | K414 Y415 W416 S421 A422 | K414-K418 WeakPolarHBondContact O-CB 3.39Å; K414-K418 PolarHBondContact O-N 3.11Å; Y415-K418 PolarHBondContact O-N 2.87Å; W416-K418 VanDerWaalsContact C-N 3.31Å; W416-K418 PolarHBondContact O-N 3.08Å; K418-S421 WeakPolarHBondContact CA-OG 3.45Å; K418-S421 PolarHBondContact O-OG 3.07Å; K418-A422 WeakPolarHBondContact O-CB 3.4Å; K418-A422 PolarHBondContact O-N 3.03Å |
| 419 | K | 82.8 | Confident | 78.2 | Confident | 65 Ų | 65 | 126.8 Ų | 126.8 | 28% | 0.283 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 175.7 | -165.7 | 175.2 | -178.5 | 179.5 | 0 | 111.8 | Y415 W416 A422 I424 | Y415-K419 PolarHBondContact O-N 3.3Å; W416-K419 PolarHBondContact O-N 2.02Å; K419-A422 PolarHBondContact O-N 3.33Å; K419-I424 HydrophobicContact CG-CD1 4.39Å |
| 420 | R | 79.5 | Confident | 77.4 | Confident | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -39.6 | 177.5 | -151.3 | -179.2 | -134.4 | 173.1 | 3.5 | 112.5 | W416 S417 A422 | W416-R420 WeakPolarHBondContact O-CB 3.42Å; W416-R420 PolarHBondContact O-N 2.87Å; S417-R420 PolarHBondContact O-N 3.34Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 3.03Å |
| 421 | S | 79.3 | Confident | 76.6 | Confident | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.8 | -20.2 | 175.1 | 53 | 0 | 0 | 0 | 0 | 114 | S417 K418 G423 | S417-S421 PolarHBondContact O-N 3.14Å; S417-S421 PolarHBondContact O-OG 3.13Å; S417-S421 VanDerWaalsContact O-OG 3.1Å; K418-S421 WeakPolarHBondContact CA-OG 3.45Å; K418-S421 PolarHBondContact O-OG 3.07Å; S421-G423 PolarHBondContact O-N 2.9Å |
| 422 | A | 77.9 | Confident | 75.7 | Confident | 65 Ų | 65 | 129.5 Ų | 129.5 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | 6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K418 K419 R420 I424 | K418-A422 WeakPolarHBondContact O-CB 3.4Å; K418-A422 PolarHBondContact O-N 3.03Å; K419-A422 PolarHBondContact O-N 3.33Å; R420-A422 VanDerWaalsContact C-N 3.28Å; R420-A422 PolarHBondContact O-N 3.03Å; A422-I424 HydrophobicContact CB-CD1 4.46Å; A422-I424 HydrophobicContact CB-CG1 4.33Å; A422-I424 PolarHBondContact O-N 2.86Å; A422-I424 VanDerWaalsContact O-N 3.16Å |
| 423 | G | 64 | Low | 74.7 | Confident | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.9 | 23.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S421 D425 | S421-G423 PolarHBondContact O-N 2.9Å; G423-D425 PolarHBondContact O-N 2.66Å |
| 424 | I | 59.1 | Low | 73.7 | Confident | 98 Ų | 98 | 130.2 Ų | 130.2 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | trans | -79.1 | 91.3 | 175.1 | -56.9 | 175.9 | 0 | 0 | 0 | 107.3 | K419 A422 L426 | K419-I424 HydrophobicContact CG-CD1 4.39Å; A422-I424 HydrophobicContact CB-CD1 4.46Å; A422-I424 HydrophobicContact CB-CG1 4.33Å; A422-I424 PolarHBondContact O-N 2.86Å; A422-I424 VanDerWaalsContact O-N 3.16Å; I424-L426 PolarHBondContact O-N 3.28Å | ||
| 425 | D | 57 | Low | 72.5 | Confident | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | trans | -56 | 114.5 | 165.8 | -102.9 | -26.6 | 0 | 0 | 0 | 109 | G423 T427 | G423-D425 PolarHBondContact O-N 2.66Å; D425-T427 PolarHBondContact O-N 3.02Å | ||
| 426 | L | 60.2 | Low | 71.2 | Confident | 113 Ų | 113 | 126.6 Ų | 126.6 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | trans | -87 | 22.4 | 176.9 | -87.3 | 159.1 | 0 | 0 | 0 | 112.1 | I424 | I424-L426 PolarHBondContact O-N 3.28Š| ||
| 427 | T | 62.1 | Low | 70 | Confident | 124 Ų | 124 | 127.8 Ų | 127.8 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | -100.2 | 46.8 | 176.3 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | D425 | D425-T427 PolarHBondContact O-N 3.02Š| ||
| 428 | R | 45.9 | Very low | 68.5 | Low | 312 Ų | 312 | 132 Ų | 132 | 100% | 1.177 | 68% | 0.676 | S | S | * | * | trans | -143.8 | 0 | 162.6 | -135.3 | -178.1 | -162.9 | 177.7 | 5.3 | 112.1 |
Retrieved 428 of 428 residues in 314.3 ms
(Link to these results)