A0A077ZG51_TRITR Loading...

Hist deacetyl domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 458 aa.

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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
1M81.2Confident88.6Confident161 Ų16158 Ų5879%0.79330%0.302SS*.  0154.10-89.2-172.9-85.500108.8G118 A121M1-G118 VanDerWaalsContact SD-C 3.59Å; M1-A121 HydrophobicContact CB-CB 3.86Å; M1-A121 WeakPolarHBondContact O-CB 3.46Å
2L93.3Very high88.3Confident108 Ų10861.5 Ų61.557%0.56532%0.315SS*.PPolyproline II helixtrans-79.3148.1172.5-63.7175.8000110.8C120 A121L2-C120 WeakPolarHBondContact O-CA 3.44Å; L2-A121 PolarHBondContact O-N 3.02Å
3P96.8Very high88.4Confident4 Ų459.7 Ų59.73%0.02631%0.309CS..PPolyproline II helixtrans-71.3150166.131.4-34.9000110.7M45 K46 G122 L312 L313P3-M45 HydrophobicContact CB-CE 3.95Å; P3-M45 HydrophobicContact CG-CE 4.07Å; P3-M45 HydrophobicContact CG-CG 4.23Å; P3-M45 WeakPolarHBondContact O-CA 3.33Å; P3-K46 PolarHBondContact O-N 3.4Å; P3-G122 CarbonylContact C-O 3.47Å; P3-G122 WeakPolarHBondContact CA-O 3.47Å; P3-L312 HydrophobicContact CB-CB 4.13Å; P3-L312 HydrophobicContact CG-CB 4.33Å; P3-L313 HydrophobicContact CG-CD2 3.69Å; P3-L313 HydrophobicContact CG-CG 4.21Å
4G97.6Very high88.7Confident0 Ų055.6 Ų55.60%029%0.287CS..EExtended strand (participates in β ladder)trans-96.2161.4177.600000113.3M45 K46 G122 C123 V124G4-M45 VanDerWaalsContact O-CE 3.24Å; G4-M45 WeakPolarHBondContact O-CE 3.37Å; G4-K46 CarbonylContact C-O 3.57Å; G4-K46 VanDerWaalsContact CA-O 3.25Å; G4-K46 WeakPolarHBondContact CA-O 3.32Å; G4-G122 PolarHBondContact N-O 2.59Å; G4-C123 CarbonylContact O-C 3.56Å; G4-C123 VanDerWaalsContact O-CA 3.28Å; G4-C123 WeakPolarHBondContact O-CA 3.4Å; G4-C123 PolarHBondContact O-SG 3.09Å; G4-V124 PolarHBondContact O-N 3.18Å
5Y97.8Very high89Confident24 Ų2459.9 Ų59.99%0.09430%0.298CS..EExtended strand (participates in β ladder)trans-142.9154164.181-78000112.9L42 M45 K46 Q47 L48 V124Y5-L42 HydrophobicContact CD1-CD2 4.42Å; Y5-L42 HydrophobicContact CD2-CD1 4.4Å; Y5-L42 HydrophobicContact CD2-CD2 4.1Å; Y5-L42 HydrophobicContact CE1-CB 4.08Å; Y5-L42 WeakPolarHBondContact CE1-O 3.44Å; Y5-L42 HydrophobicContact CE2-CB 4.35Å; Y5-L42 HydrophobicContact CE2-CD1 3.99Å; Y5-L42 HydrophobicContact CE2-CD2 4.34Å; Y5-L42 HydrophobicContact CE2-CG 4.46Å; Y5-L42 HydrophobicContact CG-CD2 4.13Å; Y5-M45 HydrophobicContact CD1-CB 3.57Å; Y5-M45 HydrophobicContact CD1-SD 4.5Å; Y5-M45 HydrophobicContact CE1-CB 4.18Å; Y5-M45 HydrophobicContact CG-CB 4.49Å; Y5-K46 PolarHBondContact N-O 3.2Å; Y5-Q47 HydrophobicContact CD1-CB 4.29Å; Y5-Q47 HydrophobicContact CE1-CB 3.55Å; Y5-Q47 HydrophobicContact CE1-CG 4.04Å; Y5-Q47 HydrophobicContact CE2-CB 4.49Å; Y5-Q47 HydrophobicContact CE2-CG 4.06Å; Y5-Q47 PolarHBondContact OH-OE1 3.43Å; Y5-L48 PolarHBondContact O-N 2.84Å; Y5-V124 CarbonylContact C-O 3.6Å; Y5-V124 WeakPolarHBondContact CA-O 3.49Å
6L96.6Very high89.3Confident0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-126.6135.7168.7-55.599.8000109.7L48 I50 A107 E110 A111 C123 V124 L126L6-L48 HydrophobicContact CD1-CB 4.47Å; L6-L48 HydrophobicContact CD1-CD1 4.07Å; L6-L48 HydrophobicContact CD2-CB 3.91Å; L6-L48 HydrophobicContact CG-CB 3.9Å; L6-L48 HydrophobicContact CG-CD1 4.39Å; L6-I50 HydrophobicContact CB-CD1 4.31Å; L6-I50 HydrophobicContact CB-CG1 4.27Å; L6-I50 HydrophobicContact CD2-CG1 3.61Å; L6-A107 HydrophobicContact CB-CB 4.15Å; L6-A107 WeakPolarHBondContact CD1-O 3.28Å; L6-A107 HydrophobicContact CD2-CB 4.27Å; L6-E110 HydrophobicContact CD2-CB 4.17Å; L6-A111 HydrophobicContact CD1-CB 3.59Å; L6-C123 VanDerWaalsContact CD1-SG 3.54Å; L6-V124 PolarHBondContact N-O 2.95Å; L6-L126 PolarHBondContact O-N 2.88Å
7A92.9Very high89.4Confident21 Ų2156.8 Ų56.817%0.17429%0.285CS..EExtended strand (participates in β ladder)trans-145.2132.9167.300000107.1I33 L126A7-I33 HydrophobicContact CB-CD1 3.68Å; A7-I33 HydrophobicContact CB-CG1 4.29Å; A7-L126 HydrophobicContact CB-CB 4.24Å
8K84.4Confident89.6Confident92 Ų9257.9 Ų57.940%0.429%0.285SS..  trans-100.9125.7177.4-16855.5-178.3-177.90109.4T11 I50 N103K8-T11 HydrophobicContact CB-CG2 4.04Å; K8-T11 VanDerWaalsContact O-CG2 3.28Å; K8-T11 WeakPolarHBondContact O-CG2 3.42Å; K8-T11 PolarHBondContact O-OG1 3.01Å; K8-T11 VanDerWaalsContact O-OG1 3.08Å; K8-I50 HydrophobicContact CB-CD1 3.63Å; K8-I50 HydrophobicContact CD-CD1 4.17Å; K8-I50 HydrophobicContact CG-CD1 4.25Å; K8-N103 HydrophobicContact CG-CB 4.31Å
9E77.2Confident89.7Confident182 Ų18258.5 Ų58.585%0.8529%0.29SS*.THydrogen-bonded Turntrans-64157166.3-64.5-173.9165.800110.9T11E9-T11 VanDerWaalsContact C-N 3.27Å; E9-T11 PolarHBondContact O-N 2.82Å
10G76.4Confident89.7Confident32 Ų3262.3 Ų62.333%0.3332%0.322SS..THydrogen-bonded Turntrans81.5-10.1-178.500000115.3H12 V13G10-H12 PolarHBondContact O-N 3.24Å; G10-V13 WeakPolarHBondContact O-CG1 3.19Å; G10-V13 WeakPolarHBondContact O-CG2 3.39Å; G10-V13 PolarHBondContact O-N 3.01Å
11T80.3Confident89.7Confident14 Ų1462.2 Ų62.29%0.08634%0.336CS..G310 helixtrans-56.5-17.4174470000114.4K8 E9 V13 H14 L29K8-T11 HydrophobicContact CB-CG2 4.04Å; K8-T11 VanDerWaalsContact O-CG2 3.28Å; K8-T11 WeakPolarHBondContact O-CG2 3.42Å; K8-T11 PolarHBondContact O-OG1 3.01Å; K8-T11 VanDerWaalsContact O-OG1 3.08Å; E9-T11 VanDerWaalsContact C-N 3.27Å; E9-T11 PolarHBondContact O-N 2.82Å; T11-V13 PolarHBondContact O-N 3Å; T11-H14 PolarHBondContact O-N 3.1Å; T11-L29 HydrophobicContact CG2-CD2 4.26Å; T11-L29 WeakPolarHBondContact OG1-CD2 3.31Å
12H84.7Confident90.3Very high100 Ų10055.9 Ų55.946%0.46331%0.305SS..G310 helixtrans-65.5-12.4174.569-100.3000114.5G10 P26G10-H12 PolarHBondContact O-N 3.24Å; H12-P26 HydrophobicContact CB-CB 4.05Å; H12-P26 VanDerWaalsContact O-CG 3.31Å; H12-P26 WeakPolarHBondContact O-CG 3.47Å
13V90.1Very high90.2Very high38 Ų3854.4 Ų54.423%0.2330%0.295CS..G310 helixtrans-65.8-42172.9-59.60000110.5G10 T11 R15 R94 E96 C100G10-V13 WeakPolarHBondContact O-CG1 3.19Å; G10-V13 WeakPolarHBondContact O-CG2 3.39Å; G10-V13 PolarHBondContact O-N 3.01Å; T11-V13 PolarHBondContact O-N 3Å; V13-R15 PolarHBondContact O-N 3.13Å; V13-R15 VanDerWaalsContact O-N 3.07Å; V13-R94 WeakPolarHBondContact O-CD 3.15Å; V13-R94 PolarHBondContact O-NE 3.38Å; V13-R94 PolarHBondContact O-NH1 3.45Å; V13-E96 HydrophobicContact CB-CB 4.25Å; V13-E96 HydrophobicContact CB-CG 4.49Å; V13-E96 HydrophobicContact CG2-CB 3.55Å; V13-E96 HydrophobicContact CG2-CG 4.2Å; V13-C100 VanDerWaalsContact CG2-SG 3.56Å
14H92.3Very high89.9Confident2 Ų254.2 Ų54.21%0.00929%0.294CS..  trans-67.1106.7179.8-177.660.6000111.4T11 Y92 S97 C100 K128T11-H14 PolarHBondContact O-N 3.1Å; H14-Y92 AromaticContact CE1-CD2 3.98Å; H14-Y92 AromaticContact CE1-CE2 3.3Å; H14-Y92 WeakPolarHBondContact CE1-CE2 3.43Å; H14-Y92 AromaticContact CE1-CZ 3.91Å; H14-Y92 AromaticContact ND1-CE2 3.77Å; H14-Y92 AromaticContact NE2-CE2 3.67Å; H14-Y92 AromaticContact NE2-CZ 3.8Å; H14-S97 PolarHBondContact CE1-OG 3.46Å; H14-S97 VanDerWaalsContact CE1-OG 3.29Å; H14-S97 PolarHBondContact ND1-OG 3.28Å; H14-C100 HydrophobicContact CB-CB 4.19Å; H14-K128 WeakPolarHBondContact O-CE 3.39Å
15R93.4Very high89.7Confident120 Ų12055.9 Ų55.945%0.45331%0.305SS..  trans-154.8157177.967.1-177.7-179.2-105.66.7108.9V13 P26 Y92V13-R15 PolarHBondContact O-N 3.13Å; V13-R15 VanDerWaalsContact O-N 3.07Å; R15-P26 HydrophobicContact CB-CG 3.89Å; R15-Y92 WeakPolarHBondContact O-CE2 3.38Å
16C93.3Very high89.5Confident10 Ų1056 Ų567%0.06831%0.309CS..  trans-64.4143.6172.2-171.50000110.2W18 D19 H22 Y92C16-W18 VanDerWaalsContact SG-CD1 3.54Å; C16-D19 WeakPolarHBondContact CB-O 3.32Å; C16-D19 PolarHBondContact SG-N 3.19Å; C16-H22 HydrophobicContact CB-CB 3.99Å; C16-Y92 VanDerWaalsContact CA-CD2 3.5Å; C16-Y92 HydrophobicContact CB-CD1 3.84Å; C16-Y92 HydrophobicContact CB-CD2 3.93Å; C16-Y92 HydrophobicContact CB-CE1 4.14Å; C16-Y92 HydrophobicContact CB-CE2 4.27Å; C16-Y92 HydrophobicContact CB-CG 3.72Å
17L92.2Very high89.4Confident58 Ų5862.1 Ų62.130%0.30434%0.335SS..SBendtrans-99.3-21.3-178.9-63.9-179.9000113.1R78 R94L17-R78 HydrophobicContact CD1-CG 4.43Å; L17-R94 HydrophobicContact CD1-CB 3.72Å; L17-R94 HydrophobicContact CD2-CB 4.36Å; L17-R94 HydrophobicContact CG-CB 4Å
18W92.4Very high89.4Confident77 Ų7761.2 Ų61.229%0.29233%0.328SS..SBendtrans-106.9-19.2-177.842.393.8000113.4C16 L81 E82 C85 L93C16-W18 VanDerWaalsContact SG-CD1 3.54Å; W18-L81 HydrophobicContact CH2-CB 4.4Å; W18-L81 HydrophobicContact CZ3-CB 4.28Å; W18-E82 HydrophobicContact CD2-CB 4.41Å; W18-E82 HydrophobicContact CD2-CG 3.84Å; W18-E82 HydrophobicContact CE3-CB 3.99Å; W18-E82 HydrophobicContact CE3-CG 3.9Å; W18-E82 HydrophobicContact CG-CG 4.24Å; W18-E82 HydrophobicContact CH2-CB 4.25Å; W18-E82 HydrophobicContact CZ2-CG 4.48Å; W18-E82 HydrophobicContact CZ3-CB 3.92Å; W18-E82 HydrophobicContact CZ3-CG 4.27Å; W18-C85 HydrophobicContact CH2-CB 4.33Å; W18-C85 HydrophobicContact CZ2-CB 3.98Å; W18-L93 WeakPolarHBondContact CH2-O 3.46Å
19D92Very high89.9Confident69 Ų6957 Ų5737%0.36931%0.309SS..  trans-122118.7169176.514.3000110.6C16 G21 H22C16-D19 WeakPolarHBondContact CB-O 3.32Å; C16-D19 PolarHBondContact SG-N 3.19Å; D19-G21 WeakPolarHBondContact OD1-CA 3.43Å; D19-G21 PolarHBondContact OD1-N 3.08Å; D19-H22 HydrophobicContact CB-CB 4.17Å; D19-H22 VanDerWaalsContact CG-N 3.35Å; D19-H22 PolarHBondContact OD1-N 3.42Å; D19-H22 WeakPolarHBondContact OD2-CA 3.4Å; D19-H22 VanDerWaalsContact OD2-CB 3.24Å; D19-H22 WeakPolarHBondContact OD2-CB 3.42Å; D19-H22 IonicContact OD2-CD2 2.8Å; D19-H22 IonicContact OD2-CG 3.73Å; D19-H22 PolarHBondContact OD2-N 3.14Å; D19-H22 VanDerWaalsContact OD2-N 3.1Å
20S89Confident90.7Very high133 Ų13351.1 Ų51.193%0.9329%0.286SS*.SBendtrans-88.5-16177.962.80000113.8
21G90.1Very high91.6Very high61 Ų6151.6 Ų51.663%0.62928%0.282SS*.SBendtrans-88.1-17.3176.500000114.1D19 E23D19-G21 WeakPolarHBondContact OD1-CA 3.43Å; D19-G21 PolarHBondContact OD1-N 3.08Å; G21-E23 PolarHBondContact O-N 3.25Å
22H92.5Very high92.4Very high28 Ų2850.9 Ų50.913%0.1328%0.278CS..  trans-38.3125.5-175.3-161.9-57.4000114.4C16 D19 E24 C25 Y92 F142C16-H22 HydrophobicContact CB-CB 3.99Å; D19-H22 HydrophobicContact CB-CB 4.17Å; D19-H22 VanDerWaalsContact CG-N 3.35Å; D19-H22 PolarHBondContact OD1-N 3.42Å; D19-H22 WeakPolarHBondContact OD2-CA 3.4Å; D19-H22 VanDerWaalsContact OD2-CB 3.24Å; D19-H22 WeakPolarHBondContact OD2-CB 3.42Å; D19-H22 IonicContact OD2-CD2 2.8Å; D19-H22 IonicContact OD2-CG 3.73Å; D19-H22 PolarHBondContact OD2-N 3.14Å; D19-H22 VanDerWaalsContact OD2-N 3.1Å; H22-E24 PolarHBondContact ND1-N 3.47Å; H22-E24 PolarHBondContact O-N 3.02Å; H22-C25 WeakPolarHBondContact O-CB 3.35Å; H22-Y92 AromaticContact CD2-CD1 3.84Å; H22-Y92 AromaticContact CE1-CD1 3.81Å; H22-Y92 AromaticContact CE1-CE1 3.66Å; H22-Y92 AromaticContact ND1-CE1 3.85Å; H22-Y92 AromaticContact NE2-CD1 3.45Å; H22-Y92 WeakPolarHBondContact NE2-CD1 3.26Å; H22-Y92 AromaticContact NE2-CE1 3.78Å; H22-F142 AromaticContact CE1-CD1 3.57Å; H22-F142 AromaticContact CE1-CE1 3.29Å; H22-F142 WeakPolarHBondContact CE1-CE1 3.43Å; H22-F142 AromaticContact CE1-CZ 3.68Å; H22-F142 AromaticContact NE2-CD1 3.81Å; H22-F142 AromaticContact NE2-CE1 3.44Å; H22-F142 WeakPolarHBondContact NE2-CE1 3.33Å
23E91.4Very high92.9Very high78 Ų7847.8 Ų47.836%0.36426%0.264SS..SBendtrans-61.5-42.7-170.5-64.283.7173.800112.5G21 C25 L263 Y296G21-E23 PolarHBondContact O-N 3.25Å; E23-C25 PolarHBondContact O-N 3.23Å; E23-C25 PolarHBondContact O-SG 3.07Å; E23-L263 HydrophobicContact CB-CD1 4.4Å; E23-L263 HydrophobicContact CG-CD1 4.19Å; E23-L263 HydrophobicContact CG-CD2 4.36Å; E23-L263 HydrophobicContact CG-CG 4.41Å; E23-Y296 HydrophobicContact CB-CD1 3.67Å; E23-Y296 HydrophobicContact CB-CE1 4.47Å; E23-Y296 HydrophobicContact CB-CG 3.98Å
24E92.2Very high93.2Very high0 Ų050 Ų500%028%0.275CS..SBendtrans-70.661175.6-175.243.3-143.700113H22 R28 Y92 K128 F142 Y296H22-E24 PolarHBondContact ND1-N 3.47Å; H22-E24 PolarHBondContact O-N 3.02Å; E24-R28 VanDerWaalsContact CD-NH1 3.31Å; E24-R28 IonicContact OE1-NH1 2.79Å; E24-R28 PolarHBondContact OE1-NH1 3.03Å; E24-R28 VanDerWaalsContact OE1-NH1 3.17Å; E24-R28 WeakPolarHBondContact OE2-CD 3.34Å; E24-R28 IonicContact OE2-CZ 2.72Å; E24-R28 IonicContact OE2-NE 3.19Å; E24-R28 PolarHBondContact OE2-NE 2.65Å; E24-R28 IonicContact OE2-NH1 2.84Å; E24-R28 PolarHBondContact OE2-NH1 3.39Å; E24-Y92 HydrophobicContact CB-CE1 4.27Å; E24-Y92 HydrophobicContact CG-CE1 4.33Å; E24-Y92 PolarHBondContact O-OH 2.91Å; E24-K128 VanDerWaalsContact CD-NZ 3.31Å; E24-K128 PolarHBondContact O-NZ 3.01Å; E24-K128 IonicContact OE1-NZ 2.74Å; E24-K128 PolarHBondContact OE1-NZ 2.89Å; E24-F142 HydrophobicContact CB-CB 4.31Å; E24-F142 HydrophobicContact CB-CD2 3.88Å; E24-F142 HydrophobicContact CB-CE2 4.39Å; E24-F142 HydrophobicContact CB-CG 4.04Å; E24-F142 HydrophobicContact CG-CB 3.82Å; E24-F142 HydrophobicContact CG-CD2 4.18Å; E24-F142 HydrophobicContact CG-CG 4.11Å; E24-Y296 HydrophobicContact CB-CE1 4.15Å; E24-Y296 WeakPolarHBondContact OE2-CE1 3.46Å
25C92.5Very high93.4Very high35 Ų3551.6 Ų51.624%0.23628%0.282CS..  trans-98.4165.6-173.4650000114.2H22 E23 K27 R28 K128H22-C25 WeakPolarHBondContact O-CB 3.35Å; E23-C25 PolarHBondContact O-N 3.23Å; E23-C25 PolarHBondContact O-SG 3.07Å; C25-K27 PolarHBondContact O-N 2.83Å; C25-R28 WeakPolarHBondContact O-CG 3.49Å; C25-R28 PolarHBondContact O-N 3.2Å; C25-K128 PolarHBondContact O-NZ 3Å
26P93.3Very high93.6Very high25 Ų2545.9 Ų45.916%0.16226%0.261CS..THydrogen-bonded Turntrans-53.4-32.5170.6-33.939.9000115.7H12 R15 R28 L29 T30H12-P26 HydrophobicContact CB-CB 4.05Å; H12-P26 VanDerWaalsContact O-CG 3.31Å; H12-P26 WeakPolarHBondContact O-CG 3.47Å; R15-P26 HydrophobicContact CB-CG 3.89Å; P26-R28 PolarHBondContact O-N 3.2Å; P26-L29 PolarHBondContact O-N 3.17Å; P26-T30 PolarHBondContact O-N 3.4Å; P26-T30 PolarHBondContact O-OG1 3.05Å
27K93.8Very high93.8Very high129 Ų12949.1 Ų49.156%0.56128%0.28SS*.Hα-helixtrans-59.9-33.9-173.9-169.3-178.1175.7-175.30112C25 L29 V31 V298C25-K27 PolarHBondContact O-N 2.83Å; K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.35Å; K27-V31 HydrophobicContact CG-CG2 3.59Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 WeakPolarHBondContact O-CG2 3.36Å; K27-V31 PolarHBondContact O-N 2.89Å; K27-V298 HydrophobicContact CD-CG2 4.27Å; K27-V298 HydrophobicContact CG-CG1 4.29Å; K27-V298 HydrophobicContact CG-CG2 4.23Å
28R94.8Very high94Very high3 Ų355.3 Ų55.31%0.01131%0.305CS..Hα-helixtrans-47-54.3175.2-65.7-176.764.3-120.7-11.3111.9E24 C25 P26 T32 E293 G294 G295 L301E24-R28 VanDerWaalsContact CD-NH1 3.31Å; E24-R28 IonicContact OE1-NH1 2.79Å; E24-R28 PolarHBondContact OE1-NH1 3.03Å; E24-R28 VanDerWaalsContact OE1-NH1 3.17Å; E24-R28 WeakPolarHBondContact OE2-CD 3.34Å; E24-R28 IonicContact OE2-CZ 2.72Å; E24-R28 IonicContact OE2-NE 3.19Å; E24-R28 PolarHBondContact OE2-NE 2.65Å; E24-R28 IonicContact OE2-NH1 2.84Å; E24-R28 PolarHBondContact OE2-NH1 3.39Å; C25-R28 WeakPolarHBondContact O-CG 3.49Å; C25-R28 PolarHBondContact O-N 3.2Å; P26-R28 PolarHBondContact O-N 3.2Å; R28-T32 VanDerWaalsContact O-CB 3.26Å; R28-T32 WeakPolarHBondContact O-CB 3.34Å; R28-T32 PolarHBondContact O-OG1 2.85Å; R28-E293 PolarHBondContact NH1-O 3.05Å; R28-E293 VanDerWaalsContact NH1-O 3.1Å; R28-E293 PolarHBondContact NH2-O 2.7Å; R28-G294 PolarHBondContact NH2-O 3.06Å; R28-G295 PolarHBondContact NE-O 3.12Å; R28-G295 PolarHBondContact NH2-O 3.49Å; R28-L301 HydrophobicContact CB-CD2 3.77Å; R28-L301 HydrophobicContact CG-CD2 4.38Å; R28-L301 WeakPolarHBondContact O-CD2 3.49Å
29L94.2Very high94.3Very high2 Ų255 Ų551%0.0131%0.309CS..Hα-helixtrans-80.5-46.2-175.3-176.655.5000111.7T11 P26 K27 V31 T32 I33 L126 K128 L292T11-L29 HydrophobicContact CG2-CD2 4.26Å; T11-L29 WeakPolarHBondContact OG1-CD2 3.31Å; P26-L29 PolarHBondContact O-N 3.17Å; K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.35Å; L29-V31 PolarHBondContact O-N 3.47Å; L29-T32 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CD1-CD1 3.66Å; L29-I33 HydrophobicContact CD1-CG1 4.02Å; L29-I33 HydrophobicContact CG-CD1 3.77Å; L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.11Å; L29-L126 HydrophobicContact CD1-CB 3.76Å; L29-K128 HydrophobicContact CD2-CB 3.9Å; L29-L292 HydrophobicContact CD1-CD2 4.07Å
30T94.4Very high94.5Very high59 Ų5952.9 Ų52.936%0.36230%0.303SS..Hα-helixtrans-62.5-44.7-176.2-53.20000112.8P26 N34P26-T30 PolarHBondContact O-N 3.4Å; P26-T30 PolarHBondContact O-OG1 3.05Å; T30-N34 WeakPolarHBondContact O-CB 3.37Å; T30-N34 PolarHBondContact O-N 2.84Å; T30-N34 VanDerWaalsContact O-N 3.11Å; T30-N34 PolarHBondContact O-ND2 3.06Å
31V95.3Very high94.9Very high42 Ų4246.8 Ų46.826%0.25526%0.26SS..Hα-helixtrans-69.2-37.3179.3175.40000111.2K27 L29 N34 H35 V298 K302K27-V31 HydrophobicContact CG-CG2 3.59Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 WeakPolarHBondContact O-CG2 3.36Å; K27-V31 PolarHBondContact O-N 2.89Å; L29-V31 PolarHBondContact O-N 3.47Å; V31-N34 PolarHBondContact O-N 2.93Å; V31-H35 VanDerWaalsContact O-CB 3.3Å; V31-H35 WeakPolarHBondContact O-CB 3.44Å; V31-H35 PolarHBondContact O-N 2.77Å; V31-V298 HydrophobicContact CB-CG1 3.62Å; V31-V298 HydrophobicContact CG1-CG1 3.65Å; V31-V298 HydrophobicContact CG2-CG1 3.99Å; V31-K302 HydrophobicContact CG1-CD 3.88Å
32T95.9Very high95.3Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-65-48.4179.2-64.30000112.4R28 L29 H35 C36 L301 V305R28-T32 VanDerWaalsContact O-CB 3.26Å; R28-T32 WeakPolarHBondContact O-CB 3.34Å; R28-T32 PolarHBondContact O-OG1 2.85Å; L29-T32 PolarHBondContact O-N 3.05Å; T32-H35 PolarHBondContact O-N 2.69Å; T32-C36 PolarHBondContact O-N 3.07Å; T32-C36 VanDerWaalsContact O-N 3.07Å; T32-C36 PolarHBondContact O-SG 2.82Å; T32-L301 WeakPolarHBondContact OG1-CG 3.42Å; T32-V305 HydrophobicContact CG2-CB 3.72Å; T32-V305 HydrophobicContact CG2-CG1 3.62Å; T32-V305 HydrophobicContact CG2-CG2 3.88Å
33I95.8Very high95.5Very high34 Ų3447.5 Ų47.517%0.17426%0.258CS..Hα-helixtrans-58.8-52.2174.5-67.7166.1000109.5A7 L29 H35 C36 T37 L42 L126A7-I33 HydrophobicContact CB-CD1 3.68Å; A7-I33 HydrophobicContact CB-CG1 4.29Å; L29-I33 HydrophobicContact CD1-CD1 3.66Å; L29-I33 HydrophobicContact CD1-CG1 4.02Å; L29-I33 HydrophobicContact CG-CD1 3.77Å; L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.11Å; I33-H35 VanDerWaalsContact C-N 3.27Å; I33-H35 PolarHBondContact O-N 3.34Å; I33-C36 PolarHBondContact O-N 3.36Å; I33-C36 VanDerWaalsContact O-N 3.11Å; I33-T37 PolarHBondContact O-N 3.08Å; I33-T37 PolarHBondContact O-OG1 3.26Å; I33-T37 VanDerWaalsContact O-OG1 3.08Å; I33-L42 HydrophobicContact CG2-CD1 4.1Å; I33-L126 HydrophobicContact CG1-CD1 3.96Å
34N96Very high95.8Very high85 Ų8548.7 Ų48.746%0.45526%0.26SS..Hα-helixtrans-59.9-35.6-178.5-74.1-16.4000112.9T30 V31 K38T30-N34 WeakPolarHBondContact O-CB 3.37Å; T30-N34 PolarHBondContact O-N 2.84Å; T30-N34 VanDerWaalsContact O-N 3.11Å; T30-N34 PolarHBondContact O-ND2 3.06Å; V31-N34 PolarHBondContact O-N 2.93Å; N34-K38 WeakPolarHBondContact O-CB 3.23Å; N34-K38 VanDerWaalsContact O-CG 3.25Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.92Å
35H96.9Very high96Very high35 Ų3549.3 Ų49.316%0.16226%0.262CS..Hα-helixtrans-65.2-48174.3-176.366.8000111.6V31 T32 I33 T37 K38 L39 K302V31-H35 VanDerWaalsContact O-CB 3.3Å; V31-H35 WeakPolarHBondContact O-CB 3.44Å; V31-H35 PolarHBondContact O-N 2.77Å; T32-H35 PolarHBondContact O-N 2.69Å; I33-H35 VanDerWaalsContact C-N 3.27Å; I33-H35 PolarHBondContact O-N 3.34Å; H35-T37 PolarHBondContact O-N 3.25Å; H35-K38 PolarHBondContact O-N 3.42Å; H35-L39 WeakPolarHBondContact NE2-CD1 3.46Å; H35-L39 WeakPolarHBondContact O-CG 3.36Å; H35-L39 PolarHBondContact O-N 3.47Å; H35-L39 VanDerWaalsContact O-N 3.15Å; H35-K302 HydrophobicContact CB-CB 4.06Å; H35-K302 HydrophobicContact CB-CD 4.24Å; H35-K302 HydrophobicContact CB-CG 4.3Å; H35-K302 PolarHBondContact CD2-O 3.29Å
36C97.5Very high96.2Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-68.6-34.1-179.5-60.50000112.6T32 I33 L41 L42 I309T32-C36 PolarHBondContact O-N 3.07Å; T32-C36 VanDerWaalsContact O-N 3.07Å; T32-C36 PolarHBondContact O-SG 2.82Å; I33-C36 PolarHBondContact O-N 3.36Å; I33-C36 VanDerWaalsContact O-N 3.11Å; C36-L41 WeakPolarHBondContact O-CB 3.32Å; C36-L41 PolarHBondContact O-N 2.98Å; C36-L42 HydrophobicContact CB-CD1 4.1Å; C36-L42 HydrophobicContact CB-CD2 4.11Å; C36-L42 HydrophobicContact CB-CG 3.77Å; C36-I309 HydrophobicContact CB-CD1 4.27Å
37T96.9Very high96.4Very high78 Ų7857.3 Ų57.348%0.47929%0.293SS..Hα-helixtrans-64.9-49.1171.5-58.10000111.5I33 H35 L39 G40I33-T37 PolarHBondContact O-N 3.08Å; I33-T37 PolarHBondContact O-OG1 3.26Å; I33-T37 VanDerWaalsContact O-OG1 3.08Å; H35-T37 PolarHBondContact O-N 3.25Å; T37-L39 PolarHBondContact O-N 2.87Å; T37-G40 PolarHBondContact O-N 3.18Å
38K97.7Very high96.5Very high188 Ų18852.3 Ų52.382%0.81727%0.272SS*.Hα-helixtrans-61.2-28.2179.5-78178.8177.8-170.60113.5N34 H35 G40N34-K38 WeakPolarHBondContact O-CB 3.23Å; N34-K38 VanDerWaalsContact O-CG 3.25Å; N34-K38 WeakPolarHBondContact O-CG 3.44Å; N34-K38 PolarHBondContact O-N 2.92Å; H35-K38 PolarHBondContact O-N 3.42Å; K38-G40 VanDerWaalsContact C-N 3.31Å
39L97.2Very high96.4Very high71 Ų7155 Ų5537%0.37230%0.301SS..THydrogen-bonded Turntrans-85.23.1175-67.9174.8000114H35 T37 L41 R306H35-L39 WeakPolarHBondContact NE2-CD1 3.46Å; H35-L39 WeakPolarHBondContact O-CG 3.36Å; H35-L39 PolarHBondContact O-N 3.47Å; H35-L39 VanDerWaalsContact O-N 3.15Å; T37-L39 PolarHBondContact O-N 2.87Å; L39-L41 HydrophobicContact CB-CD1 4.17Å; L39-L41 HydrophobicContact CB-CG 3.98Å; L39-L41 HydrophobicContact CD1-CD1 4.28Å; L39-L41 PolarHBondContact O-N 3.45Å; L39-R306 HydrophobicContact CD1-CG 4.21Å
40G97.7Very high96.3Very high25 Ų2556.3 Ų56.326%0.25831%0.308SS..THydrogen-bonded Turntrans6521.7-178.200000114.1T37 K38 S43 R44T37-G40 PolarHBondContact O-N 3.18Å; K38-G40 VanDerWaalsContact C-N 3.31Å; G40-S43 WeakPolarHBondContact CA-OG 3.43Å; G40-S43 PolarHBondContact O-OG 2.89Å; G40-S43 VanDerWaalsContact O-OG 3.11Å; G40-R44 VanDerWaalsContact O-CD 3.23Å; G40-R44 WeakPolarHBondContact O-CD 3.43Å; G40-R44 WeakPolarHBondContact O-CG 3.37Å
41L97.7Very high96.2Very high4 Ų458.5 Ų58.52%0.02132%0.315CS..SBendtrans-79.8-49-179.6-62.8175.3000110.9C36 L39 S43 R44 R306 I309 R310 L313C36-L41 WeakPolarHBondContact O-CB 3.32Å; C36-L41 PolarHBondContact O-N 2.98Å; L39-L41 HydrophobicContact CB-CD1 4.17Å; L39-L41 HydrophobicContact CB-CG 3.98Å; L39-L41 HydrophobicContact CD1-CD1 4.28Å; L39-L41 PolarHBondContact O-N 3.45Å; L41-S43 VanDerWaalsContact C-N 3.29Å; L41-S43 PolarHBondContact O-N 3.36Å; L41-R44 WeakPolarHBondContact O-CB 3.38Å; L41-R44 PolarHBondContact O-N 3.46Å; L41-R306 HydrophobicContact CD1-CB 4.29Å; L41-R306 HydrophobicContact CD1-CG 3.94Å; L41-I309 HydrophobicContact CB-CG2 3.83Å; L41-I309 HydrophobicContact CD1-CG2 4.35Å; L41-R310 HydrophobicContact CD1-CG 4.49Å; L41-R310 HydrophobicContact CD2-CG 4.12Å; L41-L313 HydrophobicContact CB-CD1 4.41Å; L41-L313 HydrophobicContact CD2-CD1 4.08Å
42L97Very high96Very high4 Ų461 Ų612%0.02133%0.332CS..G310 helixtrans-66.9-29.8-178.3-61.4-173.2000112.8Y5 I33 C36 R44 M45 I309Y5-L42 HydrophobicContact CD1-CD2 4.42Å; Y5-L42 HydrophobicContact CD2-CD1 4.4Å; Y5-L42 HydrophobicContact CD2-CD2 4.1Å; Y5-L42 HydrophobicContact CE1-CB 4.08Å; Y5-L42 WeakPolarHBondContact CE1-O 3.44Å; Y5-L42 HydrophobicContact CE2-CB 4.35Å; Y5-L42 HydrophobicContact CE2-CD1 3.99Å; Y5-L42 HydrophobicContact CE2-CD2 4.34Å; Y5-L42 HydrophobicContact CE2-CG 4.46Å; Y5-L42 HydrophobicContact CG-CD2 4.13Å; I33-L42 HydrophobicContact CG2-CD1 4.1Å; C36-L42 HydrophobicContact CB-CD1 4.1Å; C36-L42 HydrophobicContact CB-CD2 4.11Å; C36-L42 HydrophobicContact CB-CG 3.77Å; L42-R44 PolarHBondContact O-N 2.92Å; L42-M45 HydrophobicContact CD2-SD 3.91Å; L42-M45 PolarHBondContact O-N 3.48Å; L42-M45 VanDerWaalsContact O-N 3.08Å; L42-I309 HydrophobicContact CD2-CD1 3.89Å
43S96.9Very high95.9Very high101 Ų10161.8 Ų61.871%0.70634%0.337SS*.G310 helixtrans-69.4-14.1173.7510000114G40 L41G40-S43 WeakPolarHBondContact CA-OG 3.43Å; G40-S43 PolarHBondContact O-OG 2.89Å; G40-S43 VanDerWaalsContact O-OG 3.11Å; L41-S43 VanDerWaalsContact C-N 3.29Å; L41-S43 PolarHBondContact O-N 3.36Å
44R97.4Very high95.8Very high103 Ų10363.5 Ų63.539%0.38935%0.35SS..G310 helixtrans-93.9-4.3172.1-63.7166.359.8-154.7-3.2112.7G40 L41 L42 L313 D315G40-R44 VanDerWaalsContact O-CD 3.23Å; G40-R44 WeakPolarHBondContact O-CD 3.43Å; G40-R44 WeakPolarHBondContact O-CG 3.37Å; L41-R44 WeakPolarHBondContact O-CB 3.38Å; L41-R44 PolarHBondContact O-N 3.46Å; L42-R44 PolarHBondContact O-N 2.92Å; R44-L313 HydrophobicContact CB-CD1 4.2Å; R44-L313 HydrophobicContact CB-CD2 3.86Å; R44-D315 IonicContact CZ-OD1 3.32Å; R44-D315 IonicContact CZ-OD2 3.8Å; R44-D315 VanDerWaalsContact NH1-CG 3.34Å; R44-D315 IonicContact NH1-OD1 3.06Å; R44-D315 PolarHBondContact NH1-OD1 2.87Å; R44-D315 IonicContact NH1-OD2 2.84Å; R44-D315 PolarHBondContact NH1-OD2 2.89Å; R44-D315 IonicContact NH2-OD1 2.79Å; R44-D315 PolarHBondContact NH2-OD1 2.82Å; R44-D315 IonicContact NH2-OD2 3.23Å
45M97.6Very high95.7Very high12 Ų1262.7 Ų62.76%0.05934%0.343CS..SBendtrans-106.5155.7177.9-58.2-177.182.900110.2P3 G4 Y5 L42 Q47 V124 I309 L313P3-M45 HydrophobicContact CB-CE 3.95Å; P3-M45 HydrophobicContact CG-CE 4.07Å; P3-M45 HydrophobicContact CG-CG 4.23Å; P3-M45 WeakPolarHBondContact O-CA 3.33Å; G4-M45 VanDerWaalsContact O-CE 3.24Å; G4-M45 WeakPolarHBondContact O-CE 3.37Å; Y5-M45 HydrophobicContact CD1-CB 3.57Å; Y5-M45 HydrophobicContact CD1-SD 4.5Å; Y5-M45 HydrophobicContact CE1-CB 4.18Å; Y5-M45 HydrophobicContact CG-CB 4.49Å; L42-M45 HydrophobicContact CD2-SD 3.91Å; L42-M45 PolarHBondContact O-N 3.48Å; L42-M45 VanDerWaalsContact O-N 3.08Å; M45-Q47 PolarHBondContact O-N 2.89Å; M45-V124 HydrophobicContact CE-CG2 4.04Å; M45-I309 HydrophobicContact CE-CG2 4.44Å; M45-I309 HydrophobicContact CG-CG2 4.47Å; M45-I309 HydrophobicContact SD-CB 4.42Å; M45-I309 HydrophobicContact SD-CD1 4.38Å; M45-I309 HydrophobicContact SD-CG1 4.13Å; M45-I309 HydrophobicContact SD-CG2 3.52Å; M45-I309 VanDerWaalsContact SD-CG2 3.52Å; M45-L313 HydrophobicContact CG-CD1 4.35Å; M45-L313 HydrophobicContact CG-CD2 4.04Å; M45-L313 HydrophobicContact CG-CG 4.37Å
46K96.6Very high95.7Very high99 Ų9967 Ų6743%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-82108.9175-174.4173.8179.3171.40110.2P3 G4 Y5 L48P3-K46 PolarHBondContact O-N 3.4Å; G4-K46 CarbonylContact C-O 3.57Å; G4-K46 VanDerWaalsContact CA-O 3.25Å; G4-K46 WeakPolarHBondContact CA-O 3.32Å; Y5-K46 PolarHBondContact N-O 3.2Å; K46-L48 HydrophobicContact CD-CD2 4.03Å; K46-L48 HydrophobicContact CG-CD2 3.88Å; K46-L48 PolarHBondContact O-N 3.49Å
47Q96.4Very high95.7Very high129 Ų12967.5 Ų67.560%0.60337%0.371SS*.EExtended strand (participates in β ladder)trans-64.9131.2170.1-166.7174.68.500109.8Y5 M45Y5-Q47 HydrophobicContact CD1-CB 4.29Å; Y5-Q47 HydrophobicContact CE1-CB 3.55Å; Y5-Q47 HydrophobicContact CE1-CG 4.04Å; Y5-Q47 HydrophobicContact CE2-CB 4.49Å; Y5-Q47 HydrophobicContact CE2-CG 4.06Å; Y5-Q47 PolarHBondContact OH-OE1 3.43Å; M45-Q47 PolarHBondContact O-N 2.89Å
48L95.9Very high95.7Very high24 Ų2463.8 Ų63.813%0.12635%0.348CS..  trans-114.6144.9178.1-48.5167.8000110.8Y5 L6 K46 T114Y5-L48 PolarHBondContact O-N 2.84Å; L6-L48 HydrophobicContact CD1-CB 4.47Å; L6-L48 HydrophobicContact CD1-CD1 4.07Å; L6-L48 HydrophobicContact CD2-CB 3.91Å; L6-L48 HydrophobicContact CG-CB 3.9Å; L6-L48 HydrophobicContact CG-CD1 4.39Å; K46-L48 HydrophobicContact CD-CD2 4.03Å; K46-L48 HydrophobicContact CG-CD2 3.88Å; K46-L48 PolarHBondContact O-N 3.49Å; L48-T114 HydrophobicContact CD1-CG2 3.71Å; L48-T114 WeakPolarHBondContact CD1-OG1 3.32Å; L48-T114 HydrophobicContact CD2-CG2 4.1Å; L48-T114 HydrophobicContact CG-CG2 4.47Å
49G92.5Very high95.7Very high61 Ų6156.4 Ų56.463%0.62932%0.322SS*.  trans-74.6147174.700000112.2
50I92.5Very high95.7Very high29 Ų2954.6 Ų54.615%0.14931%0.312CS..  trans-101.4114.9173.8-61163.6000107.6L6 K8 R106 A107L6-I50 HydrophobicContact CB-CD1 4.31Å; L6-I50 HydrophobicContact CB-CG1 4.27Å; L6-I50 HydrophobicContact CD2-CG1 3.61Å; K8-I50 HydrophobicContact CB-CD1 3.63Å; K8-I50 HydrophobicContact CD-CD1 4.17Å; K8-I50 HydrophobicContact CG-CD1 4.25Å; I50-R106 HydrophobicContact CG2-CB 4.32Å; I50-R106 HydrophobicContact CG2-CG 4.48Å; I50-A107 HydrophobicContact CD1-CB 3.82Å; I50-A107 HydrophobicContact CG1-CB 3.91Å
51M92Very high95.6Very high104 Ų10453.7 Ų53.751%0.51230%0.301SS..PPolyproline II helixtrans-72.3162.4172.6-62.9-57.6-66.300110.8R106 E110M51-R106 HydrophobicContact CB-CG 4.4Å; M51-R106 WeakPolarHBondContact O-CG 3.25Å; M51-E110 HydrophobicContact CG-CG 4.41Å; M51-E110 WeakPolarHBondContact CG-OE1 3.22Å
52P91.5Very high95.6Very high95 Ų9553.8 Ų53.862%0.61730%0.301SS*.PPolyproline II helixtrans-56.8143.1167-24.835.5000112.1R106P52-R106 PolarHBondContact O-NH1 3.17Å
53C93.3Very high95.7Very high16 Ų1655.1 Ų55.111%0.10831%0.311CS..PPolyproline II helixtrans-93.7145.1170-152.60000109.9L102 R106C53-L102 HydrophobicContact CB-CB 3.91Å; C53-L102 HydrophobicContact CB-CD2 3.76Å; C53-L102 HydrophobicContact CB-CG 4.43Å; C53-L102 VanDerWaalsContact CB-O 3.32Å; C53-L102 WeakPolarHBondContact CB-O 3.49Å; C53-R106 HydrophobicContact CB-CB 3.75Å; C53-R106 HydrophobicContact CB-CG 4.32Å
54T93.7Very high95.7Very high71 Ų7153.4 Ų53.444%0.43630%0.297SS..  trans-109.8155.7172.559.40000110.1D56 V57 L58T54-D56 PolarHBondContact O-N 3.08Å; T54-V57 PolarHBondContact O-N 3.23Å; T54-V57 VanDerWaalsContact O-N 3.08Å; T54-L58 PolarHBondContact O-N 3.04Å
55E95.2Very high95.7Very high67 Ų6754.6 Ų54.631%0.31331%0.311SS..Hα-helixtrans-55.6-36.4175.7-65.9-169.6178.700111.9V57 L58 A59 V67 R68E55-V57 VanDerWaalsContact C-N 3.25Å; E55-V57 PolarHBondContact O-N 2.78Å; E55-L58 WeakPolarHBondContact O-CB 3.49Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-L58 VanDerWaalsContact O-N 3.11Å; E55-A59 WeakPolarHBondContact O-CB 3.35Å; E55-A59 PolarHBondContact O-N 3.47Å; E55-V67 HydrophobicContact CB-CG1 3.9Å; E55-V67 HydrophobicContact CG-CG1 3.79Å; E55-R68 IonicContact OE2-NE 3.34Å
56D96.2Very high95.6Very high125 Ų12554.4 Ų54.467%0.66831%0.309SS*.Hα-helixtrans-59.9-32.5178.3-58.8-48.4000113.5T54 L60T54-D56 PolarHBondContact O-N 3.08Å; D56-L60 WeakPolarHBondContact O-CG 3.15Å; D56-L60 PolarHBondContact O-N 3.15Å
57V97.4Very high95.7Very high12 Ų1249.7 Ų49.77%0.07329%0.289CS..Hα-helixtrans-71.5-41.8176.5172.40000110.2T54 E55 A59 L60 V109 V150 Y154T54-V57 PolarHBondContact O-N 3.23Å; T54-V57 VanDerWaalsContact O-N 3.08Å; E55-V57 VanDerWaalsContact C-N 3.25Å; E55-V57 PolarHBondContact O-N 2.78Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 WeakPolarHBondContact O-CG 3.35Å; V57-L60 PolarHBondContact O-N 3.13Å; V57-V109 HydrophobicContact CG1-CG2 4.18Å; V57-V150 HydrophobicContact CG1-CG1 3.78Å; V57-V150 WeakPolarHBondContact O-CG1 3.37Å; V57-Y154 HydrophobicContact CG1-CD2 4.28Å; V57-Y154 HydrophobicContact CG2-CD2 4.41Å; V57-Y154 HydrophobicContact CG2-CE2 4.28Å
58L97.4Very high95.7Very high0 Ų050.4 Ų50.40%029%0.286CS..Hα-helixtrans-64.4-39.1173.7-60.8179.8000111.4T54 E55 L60 F61 H62 V67 L102 C105 F145 V150T54-L58 PolarHBondContact O-N 3.04Å; E55-L58 WeakPolarHBondContact O-CB 3.49Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-L58 VanDerWaalsContact O-N 3.11Å; L58-L60 PolarHBondContact O-N 3.34Å; L58-L60 VanDerWaalsContact O-N 3.08Å; L58-F61 PolarHBondContact O-N 3.42Å; L58-F61 VanDerWaalsContact O-N 3.09Å; L58-H62 WeakPolarHBondContact O-CB 3.3Å; L58-H62 PolarHBondContact O-CD2 3.29Å; L58-H62 PolarHBondContact O-N 3.37Å; L58-V67 HydrophobicContact CB-CG1 4.22Å; L58-V67 HydrophobicContact CB-CG2 3.72Å; L58-V67 HydrophobicContact CD1-CG1 3.77Å; L58-V67 HydrophobicContact CD1-CG2 4.4Å; L58-L102 HydrophobicContact CD1-CD2 3.6Å; L58-L102 HydrophobicContact CG-CD2 4.3Å; L58-C105 HydrophobicContact CD2-CB 3.68Å; L58-C105 VanDerWaalsContact CD2-SG 3.51Å; L58-F145 HydrophobicContact CD1-CD2 3.75Å; L58-F145 HydrophobicContact CD1-CE1 4.3Å; L58-F145 HydrophobicContact CD1-CE2 3.4Å; L58-F145 HydrophobicContact CD1-CG 4.36Å; L58-F145 HydrophobicContact CD1-CZ 3.7Å; L58-F145 HydrophobicContact CD2-CB 4.42Å; L58-F145 HydrophobicContact CD2-CD2 3.96Å; L58-F145 HydrophobicContact CD2-CE2 4.47Å; L58-F145 HydrophobicContact CD2-CG 4.2Å; L58-F145 HydrophobicContact CG-CD2 4.5Å; L58-V150 HydrophobicContact CD2-CG2 4.35Å
59A97.4Very high95.7Very high32 Ų3253.6 Ų53.626%0.26430%0.299SS..THydrogen-bonded Turntrans-67.8-3.1-179.800000114.5E55 V57 F61 H62E55-A59 WeakPolarHBondContact O-CB 3.35Å; E55-A59 PolarHBondContact O-N 3.47Å; V57-A59 VanDerWaalsContact C-N 3.32Å; A59-F61 PolarHBondContact O-N 3.08Å; A59-H62 CarbonylContact C-O 3.58Å; A59-H62 VanDerWaalsContact CA-O 3.31Å; A59-H62 WeakPolarHBondContact CA-O 3.37Å
60L96.8Very high96Very high34 Ų3450.7 Ų50.718%0.17827%0.269CS..THydrogen-bonded Turntrans-73.4-14.4168.4-59.1-174.6000113.3D56 V57 L58 S153 Y154 K157D56-L60 WeakPolarHBondContact O-CG 3.15Å; D56-L60 PolarHBondContact O-N 3.15Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 WeakPolarHBondContact O-CG 3.35Å; V57-L60 PolarHBondContact O-N 3.13Å; L58-L60 PolarHBondContact O-N 3.34Å; L58-L60 VanDerWaalsContact O-N 3.08Å; L60-S153 WeakPolarHBondContact O-CB 3.45Å; L60-S153 PolarHBondContact O-OG 3.35Å; L60-Y154 HydrophobicContact CD1-CD2 3.69Å; L60-Y154 HydrophobicContact CD1-CG 4.23Å; L60-K157 HydrophobicContact CD2-CD 3.6Å
61F97.1Very high96.2Very high6 Ų650.1 Ų50.13%0.02627%0.269CS..THydrogen-bonded Turntrans-129.8-43.6177.6-174.1-83000111.2L58 A59 N146 G149 V150 G176 V177 V180 F181L58-F61 PolarHBondContact O-N 3.42Å; L58-F61 VanDerWaalsContact O-N 3.09Å; A59-F61 PolarHBondContact O-N 3.08Å; F61-N146 HydrophobicContact CD1-CB 3.82Å; F61-N146 HydrophobicContact CE1-CB 3.35Å; F61-N146 HydrophobicContact CE2-CB 4.41Å; F61-N146 HydrophobicContact CG-CB 4.5Å; F61-N146 HydrophobicContact CZ-CB 3.66Å; F61-G149 WeakPolarHBondContact CD2-O 3.36Å; F61-V150 HydrophobicContact CB-CG2 3.77Å; F61-G176 WeakPolarHBondContact CZ-O 3.41Å; F61-V177 HydrophobicContact CE2-CG1 4.49Å; F61-V180 HydrophobicContact CD1-CG2 4.24Å; F61-V180 HydrophobicContact CD2-CB 4.08Å; F61-V180 HydrophobicContact CD2-CG1 3.69Å; F61-V180 HydrophobicContact CD2-CG2 4.21Å; F61-V180 HydrophobicContact CE1-CB 4.47Å; F61-V180 HydrophobicContact CE1-CG2 3.73Å; F61-V180 HydrophobicContact CE2-CB 3.5Å; F61-V180 HydrophobicContact CE2-CG1 3.65Å; F61-V180 HydrophobicContact CE2-CG2 3.69Å; F61-V180 HydrophobicContact CG-CG1 4.38Å; F61-V180 HydrophobicContact CG-CG2 4.49Å; F61-V180 HydrophobicContact CZ-CB 3.77Å; F61-V180 HydrophobicContact CZ-CG1 4.3Å; F61-V180 HydrophobicContact CZ-CG2 3.45Å; F61-V180 VanDerWaalsContact CZ-CG2 3.45Å; F61-F181 HydrophobicContact CD2-CE2 4.35Å; F61-F181 HydrophobicContact CD2-CZ 4.12Å; F61-F181 AromaticContact CE2-CE2 3.94Å; F61-F181 HydrophobicContact CE2-CE2 3.94Å; F61-F181 HydrophobicContact CE2-CZ 4.15Å
62H97.6Very high96.4Very high5 Ų550 Ų502%0.02327%0.27CS..SBendtrans-87156.3-179.2-64.4-70.8000112.1L58 A59 F66 V67 M135 K136 F145 N146L58-H62 WeakPolarHBondContact O-CB 3.3Å; L58-H62 PolarHBondContact O-CD2 3.29Å; L58-H62 PolarHBondContact O-N 3.37Å; A59-H62 CarbonylContact C-O 3.58Å; A59-H62 VanDerWaalsContact CA-O 3.31Å; A59-H62 WeakPolarHBondContact CA-O 3.37Å; H62-F66 HydrophobicContact CB-CD1 4.12Å; H62-F66 AromaticContact ND1-CD1 3.66Å; H62-F66 AromaticContact ND1-CE1 3.56Å; H62-V67 HydrophobicContact CB-CG2 3.63Å; H62-M135 PolarHBondContact CE1-O 2.72Å; H62-M135 PolarHBondContact ND1-O 3.49Å; H62-K136 CarbonylContact C-O 3.58Å; H62-K136 VanDerWaalsContact CA-O 3.3Å; H62-K136 WeakPolarHBondContact CA-O 3.26Å; H62-F145 AromaticContact CD2-CD1 3.88Å; H62-F145 AromaticContact CG-CD1 3.97Å; H62-F145 AromaticContact NE2-CD1 3.97Å; H62-N146 PolarHBondContact CE1-N 3.24Å; H62-N146 PolarHBondContact NE2-N 3.08Å
63S97.5Very high96.6Very high32 Ų3245.5 Ų45.522%0.22424%0.241CC..  trans-72.6139.6167.470.80000110.2N65 F66 V67 K136 S137S63-N65 PolarHBondContact O-N 2.97Å; S63-N65 VanDerWaalsContact O-N 3.16Å; S63-F66 PolarHBondContact O-N 2.84Å; S63-F66 VanDerWaalsContact OG-CB 3.27Å; S63-F66 WeakPolarHBondContact OG-CB 3.37Å; S63-F66 PolarHBondContact OG-N 2.88Å; S63-V67 PolarHBondContact O-N 3.45Å; S63-K136 PolarHBondContact N-O 2.9Å; S63-S137 WeakPolarHBondContact CB-OG 3.47Å; S63-S137 PolarHBondContact OG-OG 3.04Å
64T97.2Very high96.8Very high66 Ų6648.8 Ų48.841%0.40525%0.254SS..Hα-helixtrans-56.6-33.5178.5-45.50000112.2R68T64-R68 WeakPolarHBondContact O-CG 3.48Å; T64-R68 PolarHBondContact O-N 3.05Å; T64-R68 VanDerWaalsContact O-N 3.1Å
65N97.5Very high96.9Very high128 Ų12855.3 Ų55.368%0.68427%0.271SS*.Hα-helixtrans-63.8-45.6175.1-170.224.8000111.6S63 R68 K69S63-N65 PolarHBondContact O-N 2.97Å; S63-N65 VanDerWaalsContact O-N 3.16Å; N65-R68 PolarHBondContact O-N 3.46Å; N65-K69 WeakPolarHBondContact O-CB 3.48Å; N65-K69 PolarHBondContact O-N 2.86Å
66F97.1Very high97Very high7 Ų754 Ų543%0.03127%0.265CS..Hα-helixtrans-65.5-42.9177.3174.7-118.3000112.5H62 S63 R68 K69 I70 Y88 S137 S139 F145H62-F66 HydrophobicContact CB-CD1 4.12Å; H62-F66 AromaticContact ND1-CD1 3.66Å; H62-F66 AromaticContact ND1-CE1 3.56Å; S63-F66 PolarHBondContact O-N 2.84Å; S63-F66 VanDerWaalsContact OG-CB 3.27Å; S63-F66 WeakPolarHBondContact OG-CB 3.37Å; S63-F66 PolarHBondContact OG-N 2.88Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 2.76Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 3.14Å; F66-K69 VanDerWaalsContact O-N 3.15Å; F66-I70 HydrophobicContact CD2-CD1 4.5Å; F66-I70 HydrophobicContact CD2-CG1 4.09Å; F66-I70 HydrophobicContact CE1-CG1 4.4Å; F66-I70 HydrophobicContact CE2-CD1 3.72Å; F66-I70 HydrophobicContact CE2-CG1 3.62Å; F66-I70 HydrophobicContact CZ-CD1 4.05Å; F66-I70 HydrophobicContact CZ-CG1 3.79Å; F66-I70 WeakPolarHBondContact O-CG1 3.36Å; F66-I70 PolarHBondContact O-N 2.85Å; F66-Y88 HydrophobicContact CE2-CE1 4.43Å; F66-S137 VanDerWaalsContact CD2-C 3.43Å; F66-S137 WeakPolarHBondContact CD2-O 3.49Å; F66-S137 VanDerWaalsContact CG-C 3.48Å; F66-S139 VanDerWaalsContact CZ-N 3.31Å; F66-S139 WeakPolarHBondContact CZ-OG 3.24Å; F66-F145 HydrophobicContact CD1-CE1 4.29Å; F66-F145 AromaticContact CE1-CD1 3.93Å; F66-F145 HydrophobicContact CE1-CD1 3.93Å; F66-F145 AromaticContact CE1-CE1 3.96Å; F66-F145 HydrophobicContact CE1-CE1 3.96Å
67V97.6Very high97Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-55.3-47.7174.7175.60000111E55 L58 H62 S63 I70 A71 F145E55-V67 HydrophobicContact CB-CG1 3.9Å; E55-V67 HydrophobicContact CG-CG1 3.79Å; L58-V67 HydrophobicContact CB-CG1 4.22Å; L58-V67 HydrophobicContact CB-CG2 3.72Å; L58-V67 HydrophobicContact CD1-CG1 3.77Å; L58-V67 HydrophobicContact CD1-CG2 4.4Å; H62-V67 HydrophobicContact CB-CG2 3.63Å; S63-V67 PolarHBondContact O-N 3.45Å; V67-I70 PolarHBondContact O-N 3.25Å; V67-A71 PolarHBondContact O-N 3.09Å; V67-F145 HydrophobicContact CG2-CE1 4.26Å
68R96.8Very high96.9Very high144 Ų14454.6 Ų54.654%0.54326%0.262SS..Hα-helixtrans-66.3-39.1176.5-70.3174.1-178.2172.41.6113E55 T64 N65 F66 I70 A71 L72E55-R68 IonicContact OE2-NE 3.34Å; T64-R68 WeakPolarHBondContact O-CG 3.48Å; T64-R68 PolarHBondContact O-N 3.05Å; T64-R68 VanDerWaalsContact O-N 3.1Å; N65-R68 PolarHBondContact O-N 3.46Å; F66-R68 VanDerWaalsContact C-N 3.31Å; F66-R68 PolarHBondContact O-N 2.76Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.28Å; R68-A71 WeakPolarHBondContact O-CB 3.37Å; R68-A71 PolarHBondContact O-N 3.17Å; R68-L72 WeakPolarHBondContact O-CG 3.49Å; R68-L72 PolarHBondContact O-N 3.24Å
69K96.6Very high96.9Very high91 Ų9159.3 Ų59.340%0.39628%0.283SS..Hα-helixtrans-58.2-44.3175.7-170.6-171176.2-167.30110.9N65 F66 F84 Y88N65-K69 WeakPolarHBondContact O-CB 3.48Å; N65-K69 PolarHBondContact O-N 2.86Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 3.14Å; F66-K69 VanDerWaalsContact O-N 3.15Å; K69-F84 HydrophobicContact CD-CE2 4.16Å; K69-F84 HydrophobicContact CD-CZ 4.13Å; K69-F84 VanDerWaalsContact CE-CE2 3.46Å; K69-F84 HydrophobicContact CG-CE2 3.8Å; K69-F84 HydrophobicContact CG-CZ 3.89Å; K69-Y88 WeakPolarHBondContact CE-OH 3.45Å; K69-Y88 PolarHBondContact NZ-OH 3.01Å
70I96.8Very high96.9Very high0 Ų062 Ų620%029%0.291CS..Hα-helixtrans-69-40.5174.5-61.2-63000111.3F66 V67 R68 L72 T73 F84 L93 Y98 I144 F145F66-I70 HydrophobicContact CD2-CD1 4.5Å; F66-I70 HydrophobicContact CD2-CG1 4.09Å; F66-I70 HydrophobicContact CE1-CG1 4.4Å; F66-I70 HydrophobicContact CE2-CD1 3.72Å; F66-I70 HydrophobicContact CE2-CG1 3.62Å; F66-I70 HydrophobicContact CZ-CD1 4.05Å; F66-I70 HydrophobicContact CZ-CG1 3.79Å; F66-I70 WeakPolarHBondContact O-CG1 3.36Å; F66-I70 PolarHBondContact O-N 2.85Å; V67-I70 PolarHBondContact O-N 3.25Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.28Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 3.03Å; I70-T73 WeakPolarHBondContact O-CB 3.12Å; I70-T73 WeakPolarHBondContact O-CG2 3.37Å; I70-T73 PolarHBondContact O-N 2.78Å; I70-T73 PolarHBondContact O-OG1 3.01Å; I70-F84 HydrophobicContact CD1-CE1 4Å; I70-F84 HydrophobicContact CD1-CZ 4.05Å; I70-L93 HydrophobicContact CD1-CD1 4.46Å; I70-Y98 HydrophobicContact CG2-CD2 3.91Å; I70-I144 HydrophobicContact CG2-CG2 3.66Å; I70-F145 HydrophobicContact CB-CE1 4.13Å; I70-F145 HydrophobicContact CB-CZ 3.76Å; I70-F145 HydrophobicContact CG1-CE1 4.04Å; I70-F145 HydrophobicContact CG1-CZ 4.19Å; I70-F145 HydrophobicContact CG2-CE1 4.3Å; I70-F145 HydrophobicContact CG2-CE2 4.15Å; I70-F145 HydrophobicContact CG2-CZ 3.66Å
71A96.9Very high96.9Very high17 Ų1760.5 Ų60.514%0.1428%0.283CS..Hα-helixtrans-57.4-37.2177.800000113.1V67 R68 T73 E74 Y98V67-A71 PolarHBondContact O-N 3.09Å; R68-A71 WeakPolarHBondContact O-CB 3.37Å; R68-A71 PolarHBondContact O-N 3.17Å; A71-T73 PolarHBondContact O-N 3.1Å; A71-E74 PolarHBondContact O-N 3.26Å; A71-Y98 HydrophobicContact CB-CD1 4.21Å; A71-Y98 HydrophobicContact CB-CD2 4.42Å; A71-Y98 HydrophobicContact CB-CE1 3.63Å; A71-Y98 HydrophobicContact CB-CE2 3.88Å; A71-Y98 VanDerWaalsContact CB-CZ 3.44Å
72L96.9Very high96.8Very high103 Ų10363.1 Ų63.154%0.53930%0.295SS..G310 helixtrans-63.5-22.9177.1-69.7170.8000113.9R68 I70 E74 R75R68-L72 WeakPolarHBondContact O-CG 3.49Å; R68-L72 PolarHBondContact O-N 3.24Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 3.03Å; L72-E74 PolarHBondContact O-N 2.94Å; L72-R75 PolarHBondContact O-N 3.22Å; L72-R75 VanDerWaalsContact O-N 3.12Å
73T96.8Very high96.7Very high0 Ų070.3 Ų70.30%032%0.322CS..G310 helixtrans-64.2-20.6179.369.20000113.6I70 A71 R75 M76 F84 L93I70-T73 WeakPolarHBondContact O-CB 3.12Å; I70-T73 WeakPolarHBondContact O-CG2 3.37Å; I70-T73 PolarHBondContact O-N 2.78Å; I70-T73 PolarHBondContact O-OG1 3.01Å; A71-T73 PolarHBondContact O-N 3.1Å; T73-R75 PolarHBondContact O-N 2.75Å; T73-R75 VanDerWaalsContact O-N 3.14Å; T73-M76 HydrophobicContact CG2-CE 4.28Å; T73-M76 HydrophobicContact CG2-SD 3.98Å; T73-M76 PolarHBondContact O-N 2.81Å; T73-F84 HydrophobicContact CG2-CD1 4.05Å; T73-F84 HydrophobicContact CG2-CD2 4.19Å; T73-F84 HydrophobicContact CG2-CE1 3.7Å; T73-F84 HydrophobicContact CG2-CE2 3.82Å; T73-F84 HydrophobicContact CG2-CG 4.28Å; T73-F84 HydrophobicContact CG2-CZ 3.58Å; T73-L93 HydrophobicContact CG2-CD1 3.92Å
74E96.3Very high96.6Very high85 Ų8570.1 Ų70.140%0.39732%0.317SS..G310 helixtrans-60.3-23.9174.1-173.6168.5-13100112.7A71 L72 R95A71-E74 PolarHBondContact O-N 3.26Å; L72-E74 PolarHBondContact O-N 2.94Å; E74-R95 WeakPolarHBondContact CA-O 3.2Å; E74-R95 WeakPolarHBondContact O-CB 3.35Å; E74-R95 WeakPolarHBondContact O-CD 3.49Å; E74-R95 VanDerWaalsContact O-CG 3.25Å; E74-R95 WeakPolarHBondContact O-CG 3.16Å
75R96.9Very high96.5Very high207 Ų20767.1 Ų67.178%0.78130%0.299SS*.G310 helixtrans-98.8-12.3-176.8-58.6-177.2-176.2-175.90.5114.2L72 T73L72-R75 PolarHBondContact O-N 3.22Å; L72-R75 VanDerWaalsContact O-N 3.12Å; T73-R75 PolarHBondContact O-N 2.75Å; T73-R75 VanDerWaalsContact O-N 3.14Å
76M97.1Very high96.3Very high39 Ų3967 Ų6719%0.19230%0.298CS..  trans-71.4152.5-172.8-73.6177.1-175.700113.1T73 E80 L81 F84 R95T73-M76 HydrophobicContact CG2-CE 4.28Å; T73-M76 HydrophobicContact CG2-SD 3.98Å; T73-M76 PolarHBondContact O-N 2.81Å; M76-E80 VanDerWaalsContact CA-OE2 3.3Å; M76-E80 WeakPolarHBondContact CA-OE2 3.43Å; M76-E80 HydrophobicContact CB-CB 3.81Å; M76-E80 HydrophobicContact CG-CB 4.11Å; M76-L81 HydrophobicContact CB-CD2 4.22Å; M76-L81 HydrophobicContact CB-CG 3.81Å; M76-F84 HydrophobicContact CE-CD2 3.78Å; M76-F84 HydrophobicContact CE-CE2 4.13Å; M76-F84 HydrophobicContact SD-CB 4.25Å; M76-F84 HydrophobicContact SD-CD2 4Å; M76-F84 HydrophobicContact SD-CG 4.29Å; M76-R95 VanDerWaalsContact O-CZ 3.31Å; M76-R95 PolarHBondContact O-NE 3.31Å; M76-R95 PolarHBondContact O-NH2 2.7Å
77S96.4Very high96.1Very high31 Ų3169.7 Ų69.722%0.21733%0.328CS..  trans-67.8170.5165.695.40000111.2E79 E80 L81S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 VanDerWaalsContact CB-OE2 3.3Å; S77-E79 WeakPolarHBondContact CB-OE2 3.29Å; S77-E79 PolarHBondContact O-N 3.29Å; S77-E79 PolarHBondContact OG-N 3.08Å; S77-E79 PolarHBondContact OG-OE2 3.45Å; S77-E80 PolarHBondContact N-OE2 3.15Å; S77-E80 PolarHBondContact O-N 3.37Å; S77-E80 PolarHBondContact OG-N 3.02Å; S77-E80 VanDerWaalsContact OG-N 3.12Å; S77-L81 WeakPolarHBondContact O-CB 3.43Å; S77-L81 WeakPolarHBondContact O-CD1 3.46Å; S77-L81 VanDerWaalsContact O-CG 3.25Å; S77-L81 WeakPolarHBondContact O-CG 3.35Å; S77-L81 PolarHBondContact O-N 2.92Å
78R95.3Very high95.9Very high120 Ų12070.9 Ų70.945%0.45333%0.333SS..Hα-helixtrans-59.7-45.5174.2174.1-171.5165.9171.8-0.5110.8L17 E80 L81 E82L17-R78 HydrophobicContact CD1-CG 4.43Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 3.49Å; R78-L81 WeakPolarHBondContact O-CB 3.47Å; R78-L81 PolarHBondContact O-N 2.87Å; R78-E82 IonicContact NE-OE2 2.77Å; R78-E82 IonicContact NH2-OE2 3.97Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 3.08Å
79E95.9Very high95.6Very high98 Ų9867.3 Ų67.346%0.45832%0.324SS..Hα-helixtrans-70.4-32.2-175.9-51.468.4-147.400111.2S77 R83S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 VanDerWaalsContact CB-OE2 3.3Å; S77-E79 WeakPolarHBondContact CB-OE2 3.29Å; S77-E79 PolarHBondContact O-N 3.29Å; S77-E79 PolarHBondContact OG-N 3.08Å; S77-E79 PolarHBondContact OG-OE2 3.45Å; E79-R83 WeakPolarHBondContact O-CG 3.39Å; E79-R83 PolarHBondContact O-N 3.31Å; E79-R83 PolarHBondContact O-NH1 3.07Å
80E97Very high95.3Very high90 Ų9065.5 Ų65.542%0.42132%0.323SS..Hα-helixtrans-69.6-41170-70.2177.1145.500112.1M76 S77 R78 F84M76-E80 VanDerWaalsContact CA-OE2 3.3Å; M76-E80 WeakPolarHBondContact CA-OE2 3.43Å; M76-E80 HydrophobicContact CB-CB 3.81Å; M76-E80 HydrophobicContact CG-CB 4.11Å; S77-E80 PolarHBondContact N-OE2 3.15Å; S77-E80 PolarHBondContact O-N 3.37Å; S77-E80 PolarHBondContact OG-N 3.02Å; S77-E80 VanDerWaalsContact OG-N 3.12Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 3.49Å; E80-F84 WeakPolarHBondContact O-CB 3.24Å; E80-F84 PolarHBondContact O-N 3.41Å
81L96.9Very high95.1Very high2 Ų266.2 Ų66.21%0.0133%0.327CS..Hα-helixtrans-63.6-42.8175.2-77.8159.5000112.2W18 M76 S77 R78 F84 C85 L93 R95W18-L81 HydrophobicContact CH2-CB 4.4Å; W18-L81 HydrophobicContact CZ3-CB 4.28Å; M76-L81 HydrophobicContact CB-CD2 4.22Å; M76-L81 HydrophobicContact CB-CG 3.81Å; S77-L81 WeakPolarHBondContact O-CB 3.43Å; S77-L81 WeakPolarHBondContact O-CD1 3.46Å; S77-L81 VanDerWaalsContact O-CG 3.25Å; S77-L81 WeakPolarHBondContact O-CG 3.35Å; S77-L81 PolarHBondContact O-N 2.92Å; R78-L81 WeakPolarHBondContact O-CB 3.47Å; R78-L81 PolarHBondContact O-N 2.87Å; L81-F84 WeakPolarHBondContact O-CB 3.31Å; L81-F84 PolarHBondContact O-N 3.47Å; L81-C85 WeakPolarHBondContact O-CB 3.49Å; L81-C85 PolarHBondContact O-N 2.94Å; L81-C85 PolarHBondContact O-SG 3.09Å; L81-L93 HydrophobicContact CD2-CB 3.79Å; L81-R95 HydrophobicContact CD1-CG 4.29Å
82E95.1Very high95Very high60 Ų6065.6 Ų65.628%0.2832%0.321SS..Hα-helixtrans-61.4-55.3178.5-159.9159.7167.500109.5W18 R78 F84 C85 D86W18-E82 HydrophobicContact CD2-CB 4.41Å; W18-E82 HydrophobicContact CD2-CG 3.84Å; W18-E82 HydrophobicContact CE3-CB 3.99Å; W18-E82 HydrophobicContact CE3-CG 3.9Å; W18-E82 HydrophobicContact CG-CG 4.24Å; W18-E82 HydrophobicContact CH2-CB 4.25Å; W18-E82 HydrophobicContact CZ2-CG 4.48Å; W18-E82 HydrophobicContact CZ3-CB 3.92Å; W18-E82 HydrophobicContact CZ3-CG 4.27Å; R78-E82 IonicContact NE-OE2 2.77Å; R78-E82 IonicContact NH2-OE2 3.97Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 3.08Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 2.98Å; E82-C85 WeakPolarHBondContact O-CA 3.35Å; E82-C85 WeakPolarHBondContact O-CB 3.18Å; E82-C85 PolarHBondContact O-N 2.95Å; E82-D86 PolarHBondContact O-N 3.23Å
83R95.8Very high94.9Very high157 Ų15760.7 Ų60.759%0.59230%0.296SS*.Hα-helixtrans-58.8-31.1173.8-70.7-172-59-89.11.6114.5E79 D86E79-R83 WeakPolarHBondContact O-CG 3.39Å; E79-R83 PolarHBondContact O-N 3.31Å; E79-R83 PolarHBondContact O-NH1 3.07Å; R83-D86 WeakPolarHBondContact CA-OD2 3.37Å
84F96Very high94.7Very high27 Ų2762 Ų6212%0.11830%0.301CS..Hα-helixtrans-70.2-38.6175-179.5-79.2000111.2K69 I70 T73 M76 E80 L81 E82 G87 Y88 L93K69-F84 HydrophobicContact CD-CE2 4.16Å; K69-F84 HydrophobicContact CD-CZ 4.13Å; K69-F84 VanDerWaalsContact CE-CE2 3.46Å; K69-F84 HydrophobicContact CG-CE2 3.8Å; K69-F84 HydrophobicContact CG-CZ 3.89Å; I70-F84 HydrophobicContact CD1-CE1 4Å; I70-F84 HydrophobicContact CD1-CZ 4.05Å; T73-F84 HydrophobicContact CG2-CD1 4.05Å; T73-F84 HydrophobicContact CG2-CD2 4.19Å; T73-F84 HydrophobicContact CG2-CE1 3.7Å; T73-F84 HydrophobicContact CG2-CE2 3.82Å; T73-F84 HydrophobicContact CG2-CG 4.28Å; T73-F84 HydrophobicContact CG2-CZ 3.58Å; M76-F84 HydrophobicContact CE-CD2 3.78Å; M76-F84 HydrophobicContact CE-CE2 4.13Å; M76-F84 HydrophobicContact SD-CB 4.25Å; M76-F84 HydrophobicContact SD-CD2 4Å; M76-F84 HydrophobicContact SD-CG 4.29Å; E80-F84 WeakPolarHBondContact O-CB 3.24Å; E80-F84 PolarHBondContact O-N 3.41Å; L81-F84 WeakPolarHBondContact O-CB 3.31Å; L81-F84 PolarHBondContact O-N 3.47Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 2.98Å; F84-G87 PolarHBondContact O-N 3.12Å; F84-Y88 HydrophobicContact CD1-CD2 4.37Å; F84-Y88 AromaticContact CD1-CE2 3.97Å; F84-Y88 HydrophobicContact CD1-CE2 3.97Å; F84-Y88 HydrophobicContact CE1-CD2 4.22Å; F84-Y88 AromaticContact CE1-CE2 3.49Å; F84-Y88 HydrophobicContact CE1-CE2 3.49Å; F84-Y88 VanDerWaalsContact CE1-CE2 3.49Å; F84-Y88 AromaticContact CZ-CE2 3.99Å; F84-Y88 HydrophobicContact CZ-CE2 3.99Å; F84-Y88 WeakPolarHBondContact O-CD2 3.28Å; F84-L93 HydrophobicContact CD1-CD1 3.73Å; F84-L93 HydrophobicContact CE1-CD1 3.6Å
85C95.3Very high94.7Very high4 Ų464 Ų643%0.02730%0.304CS..Hα-helixtrans-72.3-34179-66.50000112.4W18 L81 E82 G87 Y88 V91 L93W18-C85 HydrophobicContact CH2-CB 4.33Å; W18-C85 HydrophobicContact CZ2-CB 3.98Å; L81-C85 WeakPolarHBondContact O-CB 3.49Å; L81-C85 PolarHBondContact O-N 2.94Å; L81-C85 PolarHBondContact O-SG 3.09Å; E82-C85 WeakPolarHBondContact O-CA 3.35Å; E82-C85 WeakPolarHBondContact O-CB 3.18Å; E82-C85 PolarHBondContact O-N 2.95Å; C85-G87 PolarHBondContact O-N 3.32Å; C85-Y88 PolarHBondContact O-N 3.2Å; C85-V91 WeakPolarHBondContact CB-O 3.48Å; C85-L93 PolarHBondContact SG-N 3.43Å
86D92.9Very high94.6Very high125 Ų12557.3 Ų57.367%0.66828%0.282SS*.THydrogen-bonded Turntrans-56.8-20.5173.5-63-27.3000113.3E82 R83 Y88E82-D86 PolarHBondContact O-N 3.23Å; R83-D86 WeakPolarHBondContact CA-OD2 3.37Å; D86-Y88 PolarHBondContact O-N 3.46Å
87G92.8Very high94.5Very high63 Ų6355.5 Ų55.565%0.64927%0.273SS*.THydrogen-bonded Turntrans-80.27.7173.100000115.3F84 C85F84-G87 PolarHBondContact O-N 3.12Å; C85-G87 PolarHBondContact O-N 3.32Å
88Y93.4Very high94.4Very high26 Ų2655 Ų5510%0.10227%0.267CS..SBendtrans-139.3148.4-176.7-67.1-76.3000111.2F66 K69 F84 C85 D86 S90 E138 S139F66-Y88 HydrophobicContact CE2-CE1 4.43Å; K69-Y88 WeakPolarHBondContact CE-OH 3.45Å; K69-Y88 PolarHBondContact NZ-OH 3.01Å; F84-Y88 HydrophobicContact CD1-CD2 4.37Å; F84-Y88 AromaticContact CD1-CE2 3.97Å; F84-Y88 HydrophobicContact CD1-CE2 3.97Å; F84-Y88 HydrophobicContact CE1-CD2 4.22Å; F84-Y88 AromaticContact CE1-CE2 3.49Å; F84-Y88 HydrophobicContact CE1-CE2 3.49Å; F84-Y88 VanDerWaalsContact CE1-CE2 3.49Å; F84-Y88 AromaticContact CZ-CE2 3.99Å; F84-Y88 HydrophobicContact CZ-CE2 3.99Å; F84-Y88 WeakPolarHBondContact O-CD2 3.28Å; C85-Y88 PolarHBondContact O-N 3.2Å; D86-Y88 PolarHBondContact O-N 3.46Å; Y88-S90 PolarHBondContact O-N 2.89Å; Y88-E138 HydrophobicContact CD1-CG 3.6Å; Y88-E138 HydrophobicContact CE1-CB 4.45Å; Y88-E138 HydrophobicContact CE1-CG 3.73Å; Y88-S139 WeakPolarHBondContact CD1-O 3.44Å
89D90Very high94.4Very high68 Ų6853.3 Ų53.336%0.36426%0.264SS..THydrogen-bonded Turntrans-76.5118.2176.2-178.99.3000111.4V91 G141 W201D89-V91 PolarHBondContact O-N 2.97Å; D89-G141 PolarHBondContact O-N 3.22Å; D89-W201 PolarHBondContact OD1-NE1 3.41Å; D89-W201 PolarHBondContact OD2-NE1 3Å
90S90.3Very high94.3Very high53 Ų5349 Ų4937%0.37125%0.245SC..THydrogen-bonded Turntrans57.549.3169.9-57.90000113.1Y88 G141 F142Y88-S90 PolarHBondContact O-N 2.89Å; S90-G141 CarbonylContact O-C 3.55Å; S90-F142 WeakPolarHBondContact O-CD1 3.41Å; S90-F142 WeakPolarHBondContact O-CE1 3.47Å; S90-F142 PolarHBondContact O-N 3.35Å
91V93.5Very high94.2Very high15 Ų1544.8 Ų44.89%0.09123%0.225CC..  trans-120.5146.6178.5175.30000110.9C85 D89 L93 S139C85-V91 WeakPolarHBondContact CB-O 3.48Å; D89-V91 PolarHBondContact O-N 2.97Å; V91-L93 HydrophobicContact CG1-CG 4.28Å; V91-S139 WeakPolarHBondContact CG2-O 3.45Å
92Y94.3Very high94.1Very high5 Ų545.2 Ų45.22%0.0223%0.228CC..  trans-131.3151.1162.672.4-101.9000110.8H14 R15 C16 H22 E24 K128H14-Y92 AromaticContact CE1-CD2 3.98Å; H14-Y92 AromaticContact CE1-CE2 3.3Å; H14-Y92 WeakPolarHBondContact CE1-CE2 3.43Å; H14-Y92 AromaticContact CE1-CZ 3.91Å; H14-Y92 AromaticContact ND1-CE2 3.77Å; H14-Y92 AromaticContact NE2-CE2 3.67Å; H14-Y92 AromaticContact NE2-CZ 3.8Å; R15-Y92 WeakPolarHBondContact O-CE2 3.38Å; C16-Y92 VanDerWaalsContact CA-CD2 3.5Å; C16-Y92 HydrophobicContact CB-CD1 3.84Å; C16-Y92 HydrophobicContact CB-CD2 3.93Å; C16-Y92 HydrophobicContact CB-CE1 4.14Å; C16-Y92 HydrophobicContact CB-CE2 4.27Å; C16-Y92 HydrophobicContact CB-CG 3.72Å; H22-Y92 AromaticContact CD2-CD1 3.84Å; H22-Y92 AromaticContact CE1-CD1 3.81Å; H22-Y92 AromaticContact CE1-CE1 3.66Å; H22-Y92 AromaticContact ND1-CE1 3.85Å; H22-Y92 AromaticContact NE2-CD1 3.45Å; H22-Y92 WeakPolarHBondContact NE2-CD1 3.26Å; H22-Y92 AromaticContact NE2-CE1 3.78Å; E24-Y92 HydrophobicContact CB-CE1 4.27Å; E24-Y92 HydrophobicContact CG-CE1 4.33Å; E24-Y92 PolarHBondContact O-OH 2.91Å; Y92-K128 PolarHBondContact OH-NZ 3.47Å
93L94.4Very high94.1Very high0 Ų043.8 Ų43.80%022%0.222CC..  trans-136.1156.8176.7-65177.1000111.5W18 I70 T73 L81 F84 C85 V91 I144W18-L93 WeakPolarHBondContact CH2-O 3.46Å; I70-L93 HydrophobicContact CD1-CD1 4.46Å; T73-L93 HydrophobicContact CG2-CD1 3.92Å; L81-L93 HydrophobicContact CD2-CB 3.79Å; F84-L93 HydrophobicContact CD1-CD1 3.73Å; F84-L93 HydrophobicContact CE1-CD1 3.6Å; C85-L93 PolarHBondContact SG-N 3.43Å; V91-L93 HydrophobicContact CG1-CG 4.28Å; L93-I144 HydrophobicContact CD2-CD1 3.33Å; L93-I144 HydrophobicContact CD2-CG1 3.8Å
94R94Very high94.1Very high28 Ų2836.4 Ų36.411%0.10619%0.194CC..  trans-140.1169163.763175.5-67.7163.44.6108.1V13 L17 E96 S97V13-R94 WeakPolarHBondContact O-CD 3.15Å; V13-R94 PolarHBondContact O-NE 3.38Å; V13-R94 PolarHBondContact O-NH1 3.45Å; L17-R94 HydrophobicContact CD1-CB 3.72Å; L17-R94 HydrophobicContact CD2-CB 4.36Å; L17-R94 HydrophobicContact CG-CB 4Å; R94-E96 VanDerWaalsContact C-N 3.27Å; R94-E96 IonicContact CZ-OE1 2.62Å; R94-E96 IonicContact CZ-OE2 3.29Å; R94-E96 VanDerWaalsContact CZ-OE2 3.29Å; R94-E96 IonicContact NE-OE1 3.67Å; R94-E96 IonicContact NE-OE2 3.42Å; R94-E96 PolarHBondContact NE-OE2 2.96Å; R94-E96 IonicContact NH2-OE1 2.67Å; R94-E96 PolarHBondContact NH2-OE1 2.9Å; R94-E96 IonicContact NH2-OE2 3.17Å; R94-E96 PolarHBondContact NH2-OE2 3.01Å; R94-E96 VanDerWaalsContact NH2-OE2 3.09Å; R94-E96 PolarHBondContact O-N 2.86Å; R94-S97 PolarHBondContact N-OG 3Å; R94-S97 WeakPolarHBondContact O-CB 3.48Å; R94-S97 PolarHBondContact O-N 3.01Å; R94-S97 PolarHBondContact O-OG 2.86Å; R94-S97 VanDerWaalsContact O-OG 3.13Å
95R95.1Very high94.1Very high125 Ų12535.1 Ų35.147%0.47219%0.189SC..THydrogen-bonded Turntrans-50.5-47-176-64.4-176.3173.8171.9-6.5113.1E74 M76 L81 S97E74-R95 WeakPolarHBondContact CA-O 3.2Å; E74-R95 WeakPolarHBondContact O-CB 3.35Å; E74-R95 WeakPolarHBondContact O-CD 3.49Å; E74-R95 VanDerWaalsContact O-CG 3.25Å; E74-R95 WeakPolarHBondContact O-CG 3.16Å; M76-R95 VanDerWaalsContact O-CZ 3.31Å; M76-R95 PolarHBondContact O-NE 3.31Å; M76-R95 PolarHBondContact O-NH2 2.7Å; L81-R95 HydrophobicContact CD1-CG 4.29Å; R95-S97 PolarHBondContact O-N 3.02Å
96E94.7Very high94.1Very high68 Ų6836.3 Ų36.332%0.31819%0.193SC..THydrogen-bonded Turntrans-75.1-8.1-178-53.492.1139.800113.8V13 R94 Y98 Q99 C100V13-E96 HydrophobicContact CB-CB 4.25Å; V13-E96 HydrophobicContact CB-CG 4.49Å; V13-E96 HydrophobicContact CG2-CB 3.55Å; V13-E96 HydrophobicContact CG2-CG 4.2Å; R94-E96 VanDerWaalsContact C-N 3.27Å; R94-E96 IonicContact CZ-OE1 2.62Å; R94-E96 IonicContact CZ-OE2 3.29Å; R94-E96 VanDerWaalsContact CZ-OE2 3.29Å; R94-E96 IonicContact NE-OE1 3.67Å; R94-E96 IonicContact NE-OE2 3.42Å; R94-E96 PolarHBondContact NE-OE2 2.96Å; R94-E96 IonicContact NH2-OE1 2.67Å; R94-E96 PolarHBondContact NH2-OE1 2.9Å; R94-E96 IonicContact NH2-OE2 3.17Å; R94-E96 PolarHBondContact NH2-OE2 3.01Å; R94-E96 VanDerWaalsContact NH2-OE2 3.09Å; R94-E96 PolarHBondContact O-N 2.86Å; E96-Y98 VanDerWaalsContact C-N 3.29Å; E96-Y98 PolarHBondContact O-N 2.98Å; E96-Q99 PolarHBondContact O-N 3.45Å; E96-C100 PolarHBondContact O-N 2.74Å; E96-C100 PolarHBondContact O-SG 3.35Å; E96-C100 VanDerWaalsContact O-SG 3.35Å
97S94.9Very high94.3Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-57.3-41.3178-720000112.2H14 R94 R95 C100 A101H14-S97 PolarHBondContact CE1-OG 3.46Å; H14-S97 VanDerWaalsContact CE1-OG 3.29Å; H14-S97 PolarHBondContact ND1-OG 3.28Å; R94-S97 PolarHBondContact N-OG 3Å; R94-S97 WeakPolarHBondContact O-CB 3.48Å; R94-S97 PolarHBondContact O-N 3.01Å; R94-S97 PolarHBondContact O-OG 2.86Å; R94-S97 VanDerWaalsContact O-OG 3.13Å; R95-S97 PolarHBondContact O-N 3.02Å; S97-C100 PolarHBondContact O-N 2.88Å; S97-A101 WeakPolarHBondContact O-CB 3.09Å; S97-A101 PolarHBondContact O-N 3.4Å
98Y95.2Very high94.6Very high20 Ų2027.4 Ų27.48%0.07813%0.13CC..Hα-helixtrans-61.4-49-179.8176.6-125000111.4I70 A71 E96 C100 A101 L102 F145I70-Y98 HydrophobicContact CG2-CD2 3.91Å; A71-Y98 HydrophobicContact CB-CD1 4.21Å; A71-Y98 HydrophobicContact CB-CD2 4.42Å; A71-Y98 HydrophobicContact CB-CE1 3.63Å; A71-Y98 HydrophobicContact CB-CE2 3.88Å; A71-Y98 VanDerWaalsContact CB-CZ 3.44Å; E96-Y98 VanDerWaalsContact C-N 3.29Å; E96-Y98 PolarHBondContact O-N 2.98Å; Y98-C100 VanDerWaalsContact C-N 3.33Å; Y98-C100 PolarHBondContact O-N 3.38Å; Y98-A101 PolarHBondContact O-N 2.81Å; Y98-A101 VanDerWaalsContact O-N 3.14Å; Y98-L102 HydrophobicContact CD1-CD1 4.12Å; Y98-L102 HydrophobicContact CD2-CG 4.36Å; Y98-L102 HydrophobicContact CE1-CD1 3.69Å; Y98-L102 HydrophobicContact CE1-CG 4.45Å; Y98-L102 HydrophobicContact CE2-CD1 4.13Å; Y98-L102 HydrophobicContact CE2-CD2 4.14Å; Y98-L102 HydrophobicContact CE2-CG 4Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 2.86Å; Y98-F145 AromaticContact CD2-CE2 3.97Å; Y98-F145 HydrophobicContact CD2-CE2 3.97Å; Y98-F145 HydrophobicContact CD2-CZ 4.26Å; Y98-F145 AromaticContact CE2-CE2 3.92Å; Y98-F145 HydrophobicContact CE2-CE2 3.92Å; Y98-F145 HydrophobicContact CE2-CZ 4.07Å
99Q94.1Very high94.8Very high86 Ų8626.2 Ų26.240%0.40213%0.125SC..Hα-helixtrans-66.3-33.1177.9-171.955.786.900112.7E96 N103E96-Q99 PolarHBondContact O-N 3.45Å; Q99-N103 VanDerWaalsContact O-CG 3.29Å; Q99-N103 PolarHBondContact O-N 2.79Å; Q99-N103 PolarHBondContact O-ND2 2.74Å
100C94.6Very high95.2Very high8 Ų823.8 Ų23.85%0.05411%0.112CC..Hα-helixtrans-63.9-44.7169.6-690000112.1V13 H14 E96 S97 Y98 N103 A104V13-C100 VanDerWaalsContact CG2-SG 3.56Å; H14-C100 HydrophobicContact CB-CB 4.19Å; E96-C100 PolarHBondContact O-N 2.74Å; E96-C100 PolarHBondContact O-SG 3.35Å; E96-C100 VanDerWaalsContact O-SG 3.35Å; S97-C100 PolarHBondContact O-N 2.88Å; Y98-C100 VanDerWaalsContact C-N 3.33Å; Y98-C100 PolarHBondContact O-N 3.38Å; C100-N103 PolarHBondContact O-N 2.67Å; C100-A104 WeakPolarHBondContact O-CB 3.43Å; C100-A104 PolarHBondContact O-N 2.95Å
101A94.9Very high95.5Very high1 Ų121.3 Ų21.31%0.0089%0.094CC..Hα-helixtrans-65.4-40.517900000112.6S97 Y98 N103 A104 C105 P129 I144 F145S97-A101 WeakPolarHBondContact O-CB 3.09Å; S97-A101 PolarHBondContact O-N 3.4Å; Y98-A101 PolarHBondContact O-N 2.81Å; Y98-A101 VanDerWaalsContact O-N 3.14Å; A101-N103 VanDerWaalsContact C-N 3.33Å; A101-N103 PolarHBondContact O-N 3.49Å; A101-A104 PolarHBondContact O-N 2.75Å; A101-C105 PolarHBondContact O-N 3.04Å; A101-P129 HydrophobicContact CB-CG 4.23Å; A101-I144 HydrophobicContact CB-CB 4.05Å; A101-I144 HydrophobicContact CB-CD1 4.23Å; A101-I144 HydrophobicContact CB-CG2 3.97Å; A101-F145 HydrophobicContact CB-CD2 3.68Å; A101-F145 HydrophobicContact CB-CE2 4.1Å
102L95Very high95.7Very high11 Ų1120.6 Ų20.66%0.0589%0.09CC..Hα-helixtrans-55.8-47.2171.1-73.9172000111.5C53 L58 Y98 R106C53-L102 HydrophobicContact CB-CB 3.91Å; C53-L102 HydrophobicContact CB-CD2 3.76Å; C53-L102 HydrophobicContact CB-CG 4.43Å; C53-L102 VanDerWaalsContact CB-O 3.32Å; C53-L102 WeakPolarHBondContact CB-O 3.49Å; L58-L102 HydrophobicContact CD1-CD2 3.6Å; L58-L102 HydrophobicContact CG-CD2 4.3Å; Y98-L102 HydrophobicContact CD1-CD1 4.12Å; Y98-L102 HydrophobicContact CD2-CG 4.36Å; Y98-L102 HydrophobicContact CE1-CD1 3.69Å; Y98-L102 HydrophobicContact CE1-CG 4.45Å; Y98-L102 HydrophobicContact CE2-CD1 4.13Å; Y98-L102 HydrophobicContact CE2-CD2 4.14Å; Y98-L102 HydrophobicContact CE2-CG 4Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 2.86Å; L102-R106 WeakPolarHBondContact O-CB 3.18Å; L102-R106 PolarHBondContact O-N 2.96Å
103N95Very high95.9Very high29 Ų2922.8 Ų22.816%0.15510%0.1CC..Hα-helixtrans-65.2-39.4178.3-72.7-37.8000112.2K8 Q99 C100 A101 A107K8-N103 HydrophobicContact CG-CB 4.31Å; Q99-N103 VanDerWaalsContact O-CG 3.29Å; Q99-N103 PolarHBondContact O-N 2.79Å; Q99-N103 PolarHBondContact O-ND2 2.74Å; C100-N103 PolarHBondContact O-N 2.67Å; A101-N103 VanDerWaalsContact C-N 3.33Å; A101-N103 PolarHBondContact O-N 3.49Å; N103-A107 WeakPolarHBondContact O-CB 3.26Å; N103-A107 PolarHBondContact O-N 3.36Å
104A95.3Very high96Very high2 Ų223.6 Ų23.62%0.01711%0.105CC..Hα-helixtrans-63.6-52.1177.400000111.9C100 A101 R106 A107 V108 V127C100-A104 WeakPolarHBondContact O-CB 3.43Å; C100-A104 PolarHBondContact O-N 2.95Å; A101-A104 PolarHBondContact O-N 2.75Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.04Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-V108 PolarHBondContact O-N 3.46Å; A104-V127 HydrophobicContact CB-CB 3.94Å; A104-V127 HydrophobicContact CB-CG1 4.34Å
105C96.3Very high96.1Very high0 Ų022.4 Ų22.40%010%0.1CC..Hα-helixtrans-56.6-47.6176.1-82.60000111.5L58 A101 A107 V108 V109 N147L58-C105 HydrophobicContact CD2-CB 3.68Å; L58-C105 VanDerWaalsContact CD2-SG 3.51Å; A101-C105 PolarHBondContact O-N 3.04Å; C105-A107 VanDerWaalsContact C-N 3.34Å; C105-A107 PolarHBondContact O-N 3Å; C105-V108 PolarHBondContact O-N 2.88Å; C105-V109 PolarHBondContact O-N 2.88Å; C105-V109 VanDerWaalsContact O-N 3.14Å; C105-N147 VanDerWaalsContact CA-OD1 3.32Å; C105-N147 WeakPolarHBondContact CA-OD1 3.36Å; C105-N147 PolarHBondContact N-OD1 2.94Å; C105-N147 PolarHBondContact SG-OD1 3.02Å
106R96.4Very high96.2Very high30 Ų3018.4 Ų18.411%0.1139%0.088CC..Hα-helixtrans-71-28.5-177.1-168.548.3177.9-111.9-3113.4I50 M51 P52 C53 L102 A104 V109 E110I50-R106 HydrophobicContact CG2-CB 4.32Å; I50-R106 HydrophobicContact CG2-CG 4.48Å; M51-R106 HydrophobicContact CB-CG 4.4Å; M51-R106 WeakPolarHBondContact O-CG 3.25Å; P52-R106 PolarHBondContact O-NH1 3.17Å; C53-R106 HydrophobicContact CB-CB 3.75Å; C53-R106 HydrophobicContact CB-CG 4.32Å; L102-R106 WeakPolarHBondContact O-CB 3.18Å; L102-R106 PolarHBondContact O-N 2.96Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 3.04Å; R106-V109 PolarHBondContact O-N 3.47Å; R106-E110 HydrophobicContact CG-CG 4.3Å; R106-E110 IonicContact CZ-OE1 3.71Å; R106-E110 IonicContact NE-OE1 3.73Å; R106-E110 PolarHBondContact NE-OE1 3.48Å; R106-E110 IonicContact NH2-OE1 3.81Å; R106-E110 PolarHBondContact NH2-OE1 3.09Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.36Å
107A96.9Very high96.2Very high1 Ų119 Ų191%0.00810%0.096CC..Hα-helixtrans-62.1-42.6173.100000111.9L6 I50 N103 A104 C105 E110 A111 V127L6-A107 HydrophobicContact CB-CB 4.15Å; L6-A107 WeakPolarHBondContact CD1-O 3.28Å; L6-A107 HydrophobicContact CD2-CB 4.27Å; I50-A107 HydrophobicContact CD1-CB 3.82Å; I50-A107 HydrophobicContact CG1-CB 3.91Å; N103-A107 WeakPolarHBondContact O-CB 3.26Å; N103-A107 PolarHBondContact O-N 3.36Å; A104-A107 PolarHBondContact O-N 2.94Å; C105-A107 VanDerWaalsContact C-N 3.34Å; C105-A107 PolarHBondContact O-N 3Å; A107-E110 PolarHBondContact O-N 3.11Å; A107-A111 WeakPolarHBondContact O-CB 3.07Å; A107-A111 PolarHBondContact O-N 3.07Å; A107-V127 HydrophobicContact CB-CG1 3.68Å
108V97.8Very high96.1Very high0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-69.3-37.5177-172.10000111.4A104 C105 A111 T112 A125 N147 A151 F250 V289 A291A104-V108 PolarHBondContact O-N 3.46Å; C105-V108 PolarHBondContact O-N 2.88Å; V108-A111 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CB 3.47Å; V108-T112 PolarHBondContact O-N 3.3Å; V108-T112 PolarHBondContact O-OG1 3.25Å; V108-A125 HydrophobicContact CG2-CB 3.85Å; V108-N147 HydrophobicContact CB-CB 4.28Å; V108-N147 HydrophobicContact CG2-CB 3.7Å; V108-A151 HydrophobicContact CB-CB 4.19Å; V108-A151 HydrophobicContact CG1-CB 3.58Å; V108-F250 HydrophobicContact CG1-CD1 4.37Å; V108-F250 HydrophobicContact CG1-CE1 4Å; V108-V289 HydrophobicContact CG1-CG1 3.93Å; V108-A291 HydrophobicContact CG1-CB 4.29Å; V108-A291 HydrophobicContact CG2-CB 3.84Å
109V98Very high96.1Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-62.5-45.8172.7169.90000112V57 C105 R106 T112 K113 V150 A151 Y154V57-V109 HydrophobicContact CG1-CG2 4.18Å; C105-V109 PolarHBondContact O-N 2.88Å; C105-V109 VanDerWaalsContact O-N 3.14Å; R106-V109 PolarHBondContact O-N 3.47Å; V109-T112 WeakPolarHBondContact O-CB 3.48Å; V109-T112 PolarHBondContact O-N 2.99Å; V109-K113 HydrophobicContact CG1-CD 4.09Å; V109-K113 WeakPolarHBondContact O-CG 3.43Å; V109-K113 PolarHBondContact O-N 3.11Å; V109-V150 HydrophobicContact CG2-CG1 4.01Å; V109-A151 HydrophobicContact CG2-CB 4.13Å; V109-Y154 HydrophobicContact CG1-CD1 3.83Å; V109-Y154 HydrophobicContact CG1-CD2 4.23Å; V109-Y154 HydrophobicContact CG1-CE1 3.96Å; V109-Y154 HydrophobicContact CG1-CE2 4.38Å; V109-Y154 HydrophobicContact CG1-CG 3.98Å
110E97.7Very high96.1Very high18 Ų1822.1 Ų22.18%0.08412%0.121CC..Hα-helixtrans-68.9-38.9177.8-67.5-59.416000112.4L6 M51 R106 A107 T112 K113 T114L6-E110 HydrophobicContact CD2-CB 4.17Å; M51-E110 HydrophobicContact CG-CG 4.41Å; M51-E110 WeakPolarHBondContact CG-OE1 3.22Å; R106-E110 HydrophobicContact CG-CG 4.3Å; R106-E110 IonicContact CZ-OE1 3.71Å; R106-E110 IonicContact NE-OE1 3.73Å; R106-E110 PolarHBondContact NE-OE1 3.48Å; R106-E110 IonicContact NH2-OE1 3.81Å; R106-E110 PolarHBondContact NH2-OE1 3.09Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.36Å; A107-E110 PolarHBondContact O-N 3.11Å; E110-T112 VanDerWaalsContact C-N 3.28Å; E110-T112 PolarHBondContact O-N 3.43Å; E110-K113 PolarHBondContact O-N 3.19Å; E110-K113 IonicContact OE1-NZ 3.46Å; E110-K113 PolarHBondContact OE1-NZ 2.98Å; E110-K113 WeakPolarHBondContact OE2-CD 3.25Å; E110-K113 WeakPolarHBondContact OE2-CE 3.32Å; E110-K113 IonicContact OE2-NZ 3.86Å; E110-K113 PolarHBondContact OE2-NZ 3.24Å; E110-T114 WeakPolarHBondContact O-CG2 3.35Å; E110-T114 PolarHBondContact O-N 3.4Å
111A97.8Very high95.8Very high0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-49.7-53.6168.600000110.2L6 A107 V108 K113 T114 V115 C123 V289L6-A111 HydrophobicContact CD1-CB 3.59Å; A107-A111 WeakPolarHBondContact O-CB 3.07Å; A107-A111 PolarHBondContact O-N 3.07Å; V108-A111 WeakPolarHBondContact O-CB 3.41Å; A111-K113 PolarHBondContact O-N 3.46Å; A111-T114 PolarHBondContact O-N 2.95Å; A111-T114 VanDerWaalsContact O-N 3.13Å; A111-T114 PolarHBondContact O-OG1 2.99Å; A111-V115 WeakPolarHBondContact O-CG2 3.36Å; A111-V115 PolarHBondContact O-N 3.4Å; A111-C123 HydrophobicContact CB-CB 3.92Å; A111-C123 VanDerWaalsContact CB-SG 3.56Å; A111-V289 HydrophobicContact CB-CG1 3.72Å; A111-V289 HydrophobicContact CB-CG2 4.19Å
112T98.1Very high95.9Very high0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-59.8-46.4-178.5-500000112.5V108 V109 E110 T114 V115 I116 S155 L159 L248 F250V108-T112 WeakPolarHBondContact O-CB 3.47Å; V108-T112 PolarHBondContact O-N 3.3Å; V108-T112 PolarHBondContact O-OG1 3.25Å; V109-T112 WeakPolarHBondContact O-CB 3.48Å; V109-T112 PolarHBondContact O-N 2.99Å; E110-T112 VanDerWaalsContact C-N 3.28Å; E110-T112 PolarHBondContact O-N 3.43Å; T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.41Å; T112-V115 PolarHBondContact O-N 3.18Å; T112-V115 VanDerWaalsContact O-N 3.15Å; T112-I116 HydrophobicContact CG2-CG1 4.14Å; T112-I116 WeakPolarHBondContact O-CG1 3.3Å; T112-I116 PolarHBondContact O-N 2.92Å; T112-S155 WeakPolarHBondContact CG2-OG 3.44Å; T112-L159 HydrophobicContact CG2-CD1 4.13Å; T112-L248 HydrophobicContact CG2-CD1 4.3Å; T112-L248 HydrophobicContact CG2-CD2 3.49Å; T112-L248 VanDerWaalsContact CG2-CD2 3.49Å; T112-F250 HydrophobicContact CG2-CE1 4.41Å; T112-F250 HydrophobicContact CG2-CZ 3.89Å; T112-F250 VanDerWaalsContact OG1-CE1 3.26Å; T112-F250 WeakPolarHBondContact OG1-CE1 3.37Å; T112-F250 WeakPolarHBondContact OG1-CZ 3.23Å
113K97.5Very high96Very high52 Ų5222.2 Ų22.223%0.22612%0.124CC..Hα-helixtrans-56.6-43.5175.6-73.316763.9-159.40111.8V109 E110 A111 V115 T117 Y154 L159V109-K113 HydrophobicContact CG1-CD 4.09Å; V109-K113 WeakPolarHBondContact O-CG 3.43Å; V109-K113 PolarHBondContact O-N 3.11Å; E110-K113 PolarHBondContact O-N 3.19Å; E110-K113 IonicContact OE1-NZ 3.46Å; E110-K113 PolarHBondContact OE1-NZ 2.98Å; E110-K113 WeakPolarHBondContact OE2-CD 3.25Å; E110-K113 WeakPolarHBondContact OE2-CE 3.32Å; E110-K113 IonicContact OE2-NZ 3.86Å; E110-K113 PolarHBondContact OE2-NZ 3.24Å; A111-K113 PolarHBondContact O-N 3.46Å; K113-V115 VanDerWaalsContact C-N 3.34Å; K113-T117 WeakPolarHBondContact O-CB 3.3Å; K113-T117 WeakPolarHBondContact O-CG2 3.38Å; K113-T117 PolarHBondContact O-N 2.95Å; K113-T117 PolarHBondContact O-OG1 3.2Å; K113-Y154 HydrophobicContact CD-CE1 4.03Å; K113-Y154 HydrophobicContact CG-CE1 4.18Å; K113-L159 HydrophobicContact CG-CD1 3.93Å; K113-L159 HydrophobicContact CG-CD2 4.03Å
114T96.4Very high96.2Very high17 Ų1721 Ų2110%0.10412%0.118CC..Hα-helixtrans-69.7-30.2178.764.80000113.9L48 E110 A111 T112 K119 C120L48-T114 HydrophobicContact CD1-CG2 3.71Å; L48-T114 WeakPolarHBondContact CD1-OG1 3.32Å; L48-T114 HydrophobicContact CD2-CG2 4.1Å; L48-T114 HydrophobicContact CG-CG2 4.47Å; E110-T114 WeakPolarHBondContact O-CG2 3.35Å; E110-T114 PolarHBondContact O-N 3.4Å; A111-T114 PolarHBondContact O-N 2.95Å; A111-T114 VanDerWaalsContact O-N 3.13Å; A111-T114 PolarHBondContact O-OG1 2.99Å; T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.41Å; T114-K119 WeakPolarHBondContact O-CA 3.44Å; T114-K119 WeakPolarHBondContact O-CB 3.32Å; T114-K119 PolarHBondContact O-N 2.92Å; T114-C120 PolarHBondContact O-N 3.34Å
115V97.2Very high96.3Very high2 Ų221 Ų211%0.01212%0.117CC..Hα-helixtrans-75.6-48.1177.7171.90000111A111 T112 K113 T117 G118 C120 C123 L248 R287 V289A111-V115 WeakPolarHBondContact O-CG2 3.36Å; A111-V115 PolarHBondContact O-N 3.4Å; T112-V115 PolarHBondContact O-N 3.18Å; T112-V115 VanDerWaalsContact O-N 3.15Å; K113-V115 VanDerWaalsContact C-N 3.34Å; V115-T117 PolarHBondContact O-N 3.02Å; V115-G118 PolarHBondContact O-N 3.42Å; V115-C120 HydrophobicContact CG2-CB 4.48Å; V115-C123 HydrophobicContact CG2-CB 3.66Å; V115-L248 HydrophobicContact CG1-CD1 4.33Å; V115-R287 HydrophobicContact CG1-CB 3.8Å; V115-R287 HydrophobicContact CG1-CG 4.25Å; V115-V289 HydrophobicContact CB-CG2 4.33Å; V115-V289 HydrophobicContact CG2-CG2 4.06Å
116I96.6Very high96.3Very high42 Ų4221 Ų2122%0.21512%0.117CC..Hα-helixtrans-63.3-40.7177-66.4-59000112T112 G118 L159 V161 L248T112-I116 HydrophobicContact CG2-CG1 4.14Å; T112-I116 WeakPolarHBondContact O-CG1 3.3Å; T112-I116 PolarHBondContact O-N 2.92Å; I116-G118 PolarHBondContact O-N 2.85Å; I116-L159 HydrophobicContact CG1-CD1 4.35Å; I116-L159 HydrophobicContact CG2-CB 4.3Å; I116-V161 HydrophobicContact CD1-CG2 3.57Å; I116-V161 HydrophobicContact CG1-CG2 3.9Å; I116-V161 HydrophobicContact CG2-CG2 4.45Å; I116-L248 HydrophobicContact CD1-CB 4.11Å; I116-L248 HydrophobicContact CD1-CD1 3.99Å; I116-L248 HydrophobicContact CD1-CD2 4.21Å; I116-L248 HydrophobicContact CD1-CG 4.33Å; I116-L248 HydrophobicContact CG1-CD1 4.49Å; I116-L248 HydrophobicContact CG1-CD2 4.47Å
117T94.2Very high96.1Very high79 Ų7920 Ų2049%0.48511%0.114SC..THydrogen-bonded Turntrans-77.76.8178.457.60000114.4K113 V115 K119K113-T117 WeakPolarHBondContact O-CB 3.3Å; K113-T117 WeakPolarHBondContact O-CG2 3.38Å; K113-T117 PolarHBondContact O-N 2.95Å; K113-T117 PolarHBondContact O-OG1 3.2Å; V115-T117 PolarHBondContact O-N 3.02Å; T117-K119 VanDerWaalsContact C-N 3.3Å; T117-K119 PolarHBondContact O-N 3.25Å
118G93.5Very high95.8Very high40 Ų4020 Ų2041%0.41211%0.114SC..THydrogen-bonded Turntrans61.536.5179.600000113.1M1 V115 I116M1-G118 VanDerWaalsContact SD-C 3.59Å; V115-G118 PolarHBondContact O-N 3.42Å; I116-G118 PolarHBondContact O-N 2.85Å
119K94Very high95.3Very high129 Ų12920.1 Ų20.156%0.56112%0.115SC*.SBendtrans-96.6-16.1173.6-68178.3-179.8177.30112.9T114 T117T114-K119 WeakPolarHBondContact O-CA 3.44Å; T114-K119 WeakPolarHBondContact O-CB 3.32Å; T114-K119 PolarHBondContact O-N 2.92Å; T117-K119 VanDerWaalsContact C-N 3.3Å; T117-K119 PolarHBondContact O-N 3.25Å
120C94.9Very high94.9Very high4 Ų420.3 Ų20.33%0.02712%0.116CC..SBendtrans-144.5145.3179.5-69.70000109.9L2 T114 V115 G122L2-C120 WeakPolarHBondContact O-CA 3.44Å; T114-C120 PolarHBondContact O-N 3.34Å; V115-C120 HydrophobicContact CG2-CB 4.48Å; C120-G122 PolarHBondContact O-N 3.08Å
121A88.8Confident94.2Very high22 Ų2219.5 Ų19.518%0.18211%0.112CC..SBendtrans-80.831.717800000113.9M1 L2 S286M1-A121 HydrophobicContact CB-CB 3.86Å; M1-A121 WeakPolarHBondContact O-CB 3.46Å; L2-A121 PolarHBondContact O-N 3.02Å; A121-S286 CarbonylContact C-O 3.58Å
122G96.7Very high93.6Very high0 Ų019.5 Ų19.50%011%0.112CC..SBendtrans113.6160.9-162.100000111.6P3 G4 C120 S286 L288P3-G122 CarbonylContact C-O 3.47Å; P3-G122 WeakPolarHBondContact CA-O 3.47Å; G4-G122 PolarHBondContact N-O 2.59Å; C120-G122 PolarHBondContact O-N 3.08Å; G122-S286 PolarHBondContact N-O 2.85Å; G122-L288 CarbonylContact C-O 3.51Å; G122-L288 VanDerWaalsContact CA-O 3.22Å; G122-L288 WeakPolarHBondContact CA-O 3.48Å
123C97.9Very high93.2Very high0 Ų019.5 Ų19.50%011%0.112CC..EExtended strand (participates in β ladder)trans-149.5148.1-173.8-168.60000113.6G4 L6 A111 V115 L288 V289 V290G4-C123 CarbonylContact O-C 3.56Å; G4-C123 VanDerWaalsContact O-CA 3.28Å; G4-C123 WeakPolarHBondContact O-CA 3.4Å; G4-C123 PolarHBondContact O-SG 3.09Å; L6-C123 VanDerWaalsContact CD1-SG 3.54Å; A111-C123 HydrophobicContact CB-CB 3.92Å; A111-C123 VanDerWaalsContact CB-SG 3.56Å; V115-C123 HydrophobicContact CG2-CB 3.66Å; C123-L288 PolarHBondContact N-O 2.85Å; C123-V289 WeakPolarHBondContact O-CA 3.44Å; C123-V290 PolarHBondContact O-N 2.77Å
124V97.7Very high93Very high4 Ų417 Ų172%0.02410%0.101CC..EExtended strand (participates in β ladder)trans-114.8122.1173.8-172.80000111.2G4 Y5 L6 M45 L126 V290 I309 L312G4-V124 PolarHBondContact O-N 3.18Å; Y5-V124 CarbonylContact C-O 3.6Å; Y5-V124 WeakPolarHBondContact CA-O 3.49Å; L6-V124 PolarHBondContact N-O 2.95Å; M45-V124 HydrophobicContact CE-CG2 4.04Å; V124-L126 HydrophobicContact CG1-CD2 3.68Å; V124-L126 HydrophobicContact CG1-CG 4.02Å; V124-V290 CarbonylContact C-O 3.52Å; V124-V290 WeakPolarHBondContact CA-O 3.39Å; V124-V290 HydrophobicContact CG1-CB 4.36Å; V124-V290 HydrophobicContact CG2-CB 4.25Å; V124-V290 HydrophobicContact CG2-CG2 4.42Å; V124-I309 HydrophobicContact CG2-CG1 4.36Å; V124-L312 HydrophobicContact CG2-CD1 3.32Å
125A97.2Very high92.8Very high0 Ų017.2 Ų17.20%010%0.101CC..EExtended strand (participates in β ladder)trans-98.8101.2172.100000109.7V108 V127 V290 L292V108-A125 HydrophobicContact CG2-CB 3.85Å; A125-V127 HydrophobicContact CB-CG1 4.01Å; A125-V127 PolarHBondContact O-N 2.89Å; A125-V290 PolarHBondContact N-O 3.15Å; A125-L292 PolarHBondContact O-N 3.17Å; A125-L292 VanDerWaalsContact O-N 3.09Å
126L96.2Very high92.6Very high2 Ų223.1 Ų23.11%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-84.885175.1-60.2177.8000108.4L6 A7 L29 I33 V124 V305L6-L126 PolarHBondContact O-N 2.88Å; A7-L126 HydrophobicContact CB-CB 4.24Å; L29-L126 HydrophobicContact CD1-CB 3.76Å; I33-L126 HydrophobicContact CG1-CD1 3.96Å; V124-L126 HydrophobicContact CG1-CD2 3.68Å; V124-L126 HydrophobicContact CG1-CG 4.02Å; L126-V305 HydrophobicContact CD2-CG1 3.88Å
127V93.6Very high92.5Very high7 Ų724.3 Ų24.34%0.04214%0.139CC..  trans-116.2161.1-168.9-66.70000113A104 A107 A125A104-V127 HydrophobicContact CB-CB 3.94Å; A104-V127 HydrophobicContact CB-CG1 4.34Å; A107-V127 HydrophobicContact CB-CG1 3.68Å; A125-V127 HydrophobicContact CB-CG1 4.01Å; A125-V127 PolarHBondContact O-N 2.89Å
128K90.3Very high92.5Very high3 Ų323.7 Ų23.71%0.01313%0.13CC..SBendtrans-152.1134.7169.7-179.4-178.8175.269.80106.7H14 E24 C25 L29 Y92H14-K128 WeakPolarHBondContact O-CE 3.39Å; E24-K128 VanDerWaalsContact CD-NZ 3.31Å; E24-K128 PolarHBondContact O-NZ 3.01Å; E24-K128 IonicContact OE1-NZ 2.74Å; E24-K128 PolarHBondContact OE1-NZ 2.89Å; C25-K128 PolarHBondContact O-NZ 3Å; L29-K128 HydrophobicContact CD2-CB 3.9Å; Y92-K128 PolarHBondContact OH-NZ 3.47Å
129P88.2Confident92.6Very high2 Ų221.8 Ų21.81%0.01311%0.11CC..SBendcis-69.9164.37.1-6.420.9000114.6A101 I144 N147A101-P129 HydrophobicContact CB-CG 4.23Å; P129-I144 HydrophobicContact CB-CD1 4.45Å; P129-I144 HydrophobicContact CB-CG1 4.32Å; P129-I144 HydrophobicContact CG-CB 4.42Å; P129-I144 HydrophobicContact CG-CD1 3.61Å; P129-I144 HydrophobicContact CG-CG1 3.92Å; P129-N147 PolarHBondContact O-ND2 3.11Å
130R87.6Confident92.5Very high4 Ų415.8 Ų15.82%0.0159%0.085CC..  trans-67.6169.3163.267.6-176.2-65.7-119.916.6110.5H132 H133 G141 F142 C143 D170 Y296R130-H132 PolarHBondContact NH2-NE2 2.99Å; R130-H133 PolarHBondContact NH1-CD2 3.19Å; R130-H133 PolarHBondContact NH1-NE2 2.75Å; R130-H133 PolarHBondContact NH2-NE2 3.27Å; R130-H133 VanDerWaalsContact NH2-NE2 3.1Å; R130-G141 PolarHBondContact NH1-O 2.95Å; R130-F142 HydrophobicContact CG-CB 4.21Å; R130-C143 WeakPolarHBondContact O-CA 3.34Å; R130-D170 IonicContact NH2-OD1 2.76Å; R130-D170 PolarHBondContact NH2-OD1 3.01Å; R130-D170 IonicContact NH2-OD2 3.95Å; R130-D170 PolarHBondContact NH2-OD2 2.92Å; R130-D170 VanDerWaalsContact NH2-OD2 3.11Å; R130-Y296 WeakPolarHBondContact CD-OH 3.12Å; R130-Y296 PolarHBondContact NE-OH 2.73Å; R130-Y296 PolarHBondContact NH1-OH 3.24Å
131N84.5Confident92.4Very high0 Ų015.7 Ų15.70%08%0.084CC..  trans-148.7-29.8-159.377.299.6000120H133 A134 C143 F145 N146 N147 V148 E293N131-H133 VanDerWaalsContact C-N 3.26Å; N131-H133 PolarHBondContact O-N 3.39Å; N131-H133 VanDerWaalsContact O-N 3.09Å; N131-A134 WeakPolarHBondContact O-CB 3.42Å; N131-A134 PolarHBondContact O-N 3.36Å; N131-C143 VanDerWaalsContact CA-SG 3.51Å; N131-C143 PolarHBondContact N-SG 2.96Å; N131-F145 WeakPolarHBondContact CB-O 3.43Å; N131-N146 WeakPolarHBondContact O-CA 3.19Å; N131-N146 PolarHBondContact O-ND2 3.31Å; N131-N147 HydrophobicContact CB-CB 3.93Å; N131-N147 VanDerWaalsContact CB-N 3.34Å; N131-N147 VanDerWaalsContact CB-ND2 3.3Å; N131-N147 WeakPolarHBondContact CB-ND2 3.4Å; N131-N147 VanDerWaalsContact CG-CB 3.47Å; N131-N147 VanDerWaalsContact CG-N 3.3Å; N131-N147 VanDerWaalsContact CG-ND2 3.32Å; N131-N147 PolarHBondContact ND2-ND2 2.96Å; N131-N147 WeakPolarHBondContact OD1-CA 3.31Å; N131-N147 WeakPolarHBondContact OD1-CB 3.32Å; N131-N147 PolarHBondContact OD1-N 2.78Å; N131-V148 PolarHBondContact OD1-N 2.81Å; N131-E293 WeakPolarHBondContact CA-OE2 3.38Å; N131-E293 PolarHBondContact N-OE2 3.43Å; N131-E293 PolarHBondContact ND2-OE1 2.84Å; N131-E293 PolarHBondContact ND2-OE2 2.89Å; N131-E293 PolarHBondContact OD1-OE1 3.46Å
132H84Confident92.5Very high0 Ų016.2 Ų16.20%08%0.082CC..THydrogen-bonded Turntrans-59.3-24.5-169.467.7148.6000116.5R130 N146 D168 D170 Y172 G174 G176 E293R130-H132 PolarHBondContact NH2-NE2 2.99Å; H132-N146 PolarHBondContact O-ND2 2.91Å; H132-N146 VanDerWaalsContact O-ND2 3.13Å; H132-D168 IonicContact CE1-OD2 2.77Å; H132-D168 IonicContact CG-OD2 3.21Å; H132-D168 IonicContact ND1-OD1 3.56Å; H132-D168 PolarHBondContact ND1-OD1 3Å; H132-D168 IonicContact ND1-OD2 2.7Å; H132-D168 PolarHBondContact ND1-OD2 3.05Å; H132-D170 WeakPolarHBondContact CE1-CB 3.41Å; H132-D170 IonicContact CE1-OD1 3.69Å; H132-D170 PolarHBondContact CE1-OD1 3.42Å; H132-D170 IonicContact CE1-OD2 3.78Å; H132-D170 IonicContact NE2-OD1 2.58Å; H132-D170 IonicContact NE2-OD2 2.97Å; H132-D170 PolarHBondContact NE2-OD2 3.37Å; H132-Y172 PolarHBondContact CE1-O 3.2Å; H132-Y172 VanDerWaalsContact CE1-O 3.3Å; H132-G174 WeakPolarHBondContact ND1-CA 3.31Å; H132-G176 WeakPolarHBondContact O-CA 3.5Å; H132-G176 PolarHBondContact O-N 2.8Å; H132-E293 IonicContact CD2-OE2 2.9Å; H132-E293 IonicContact CG-OE2 3.24Å; H132-E293 PolarHBondContact N-OE2 3.13Å
133H90.3Very high92.4Very high0 Ų016.2 Ų16.20%08%0.082CC..THydrogen-bonded Turntrans-79.6-21175.6-55.1-48.8000114.6R130 N131 M135 N140 G141 C143 Y172 Y173 Q175 W201R130-H133 PolarHBondContact NH1-CD2 3.19Å; R130-H133 PolarHBondContact NH1-NE2 2.75Å; R130-H133 PolarHBondContact NH2-NE2 3.27Å; R130-H133 VanDerWaalsContact NH2-NE2 3.1Å; N131-H133 VanDerWaalsContact C-N 3.26Å; N131-H133 PolarHBondContact O-N 3.39Å; N131-H133 VanDerWaalsContact O-N 3.09Å; H133-M135 WeakPolarHBondContact O-CG 3.34Å; H133-M135 PolarHBondContact O-N 3.31Å; H133-N140 HydrophobicContact CB-CB 4.28Å; H133-N140 WeakPolarHBondContact CB-O 3.36Å; H133-G141 PolarHBondContact CD2-O 2.82Å; H133-C143 HydrophobicContact CB-CB 4.2Å; H133-Y172 WeakPolarHBondContact CE1-CB 3.24Å; H133-Y173 PolarHBondContact CE1-O 2.85Å; H133-Y173 VanDerWaalsContact CE1-O 3.22Å; H133-Y173 PolarHBondContact ND1-O 3.44Å; H133-Q175 PolarHBondContact ND1-OE1 3.45Å; H133-W201 HydrophobicContact CB-CH2 4.28Å; H133-W201 AromaticContact CD2-CH2 3.65Å; H133-W201 AromaticContact CD2-CZ3 3.68Å; H133-W201 AromaticContact CE1-CZ3 3.54Å; H133-W201 AromaticContact CG-CH2 3.71Å; H133-W201 AromaticContact CG-CZ3 3.92Å; H133-W201 AromaticContact ND1-CH2 3.97Å; H133-W201 AromaticContact ND1-CZ3 3.8Å; H133-W201 AromaticContact NE2-CH2 3.91Å; H133-W201 AromaticContact NE2-CZ3 3.42Å; H133-W201 WeakPolarHBondContact NE2-CZ3 3.28Å
134A93.5Very high92.3Very high0 Ų016.2 Ų16.20%08%0.083CC..  trans-63.9122.7-176.300000110.2N131 C143 N146 G176N131-A134 WeakPolarHBondContact O-CB 3.42Å; N131-A134 PolarHBondContact O-N 3.36Å; A134-C143 HydrophobicContact CB-CB 3.72Å; A134-N146 HydrophobicContact CB-CB 4.24Å; A134-N146 WeakPolarHBondContact O-CB 3.41Å; A134-N146 PolarHBondContact O-ND2 3.37Å; A134-G176 WeakPolarHBondContact O-CA 3.26Å
135M91.1Very high92.2Very high22 Ų2216.1 Ų16.111%0.1088%0.082CC..BIsolated β-bridgetrans-94.9175.3-177.6-58.1-171.4-73.900110.5H62 H133 S137 E138 Q175H62-M135 PolarHBondContact CE1-O 2.72Å; H62-M135 PolarHBondContact ND1-O 3.49Å; H133-M135 WeakPolarHBondContact O-CG 3.34Å; H133-M135 PolarHBondContact O-N 3.31Å; M135-S137 PolarHBondContact O-N 3.35Å; M135-E138 HydrophobicContact CB-CB 4.23Å; M135-E138 HydrophobicContact CE-CB 3.89Å; M135-E138 HydrophobicContact CE-CG 4.11Å; M135-E138 WeakPolarHBondContact CE-OE1 3.36Å; M135-E138 WeakPolarHBondContact CE-OE2 3.41Å; M135-E138 PolarHBondContact N-O 3Å; M135-E138 PolarHBondContact O-N 3.14Å; M135-Q175 HydrophobicContact CG-CG 4.2Å; M135-Q175 HydrophobicContact SD-CG 4.02Å
136K93.6Very high92.2Very high126 Ų12616.1 Ų16.155%0.5488%0.082SC..THydrogen-bonded Turntrans-52.5-30.1-176.1-177.6169.4-175.1177.60115H62 S63 V180H62-K136 CarbonylContact C-O 3.58Å; H62-K136 VanDerWaalsContact CA-O 3.3Å; H62-K136 WeakPolarHBondContact CA-O 3.26Å; S63-K136 PolarHBondContact N-O 2.9Å; K136-V180 HydrophobicContact CB-CG2 4.12Å
137S95.3Very high92.3Very high67 Ų6716.1 Ų16.147%0.4698%0.082SC..THydrogen-bonded Turntrans-13818.8-178.5-62.20000113.3S63 F66 M135S63-S137 WeakPolarHBondContact CB-OG 3.47Å; S63-S137 PolarHBondContact OG-OG 3.04Å; F66-S137 VanDerWaalsContact CD2-C 3.43Å; F66-S137 WeakPolarHBondContact CD2-O 3.49Å; F66-S137 VanDerWaalsContact CG-C 3.48Å; M135-S137 PolarHBondContact O-N 3.35Å
138E94Very high92.4Very high65 Ų6515.8 Ų15.830%0.3048%0.08SC..BIsolated β-bridgetrans-145.9132.2-169.6-160.3-171.5116.100112.3Y88 M135 N140Y88-E138 HydrophobicContact CD1-CG 3.6Å; Y88-E138 HydrophobicContact CE1-CB 4.45Å; Y88-E138 HydrophobicContact CE1-CG 3.73Å; M135-E138 HydrophobicContact CB-CB 4.23Å; M135-E138 HydrophobicContact CE-CB 3.89Å; M135-E138 HydrophobicContact CE-CG 4.11Å; M135-E138 WeakPolarHBondContact CE-OE1 3.36Å; M135-E138 WeakPolarHBondContact CE-OE2 3.41Å; M135-E138 PolarHBondContact N-O 3Å; M135-E138 PolarHBondContact O-N 3.14Å; E138-N140 PolarHBondContact OE1-ND2 3.47Å
139S94.6Very high92.7Very high0 Ų015.7 Ų15.70%08%0.079CC..  trans-84.9137.7164.2-67.10000108.5F66 Y88 V91 C143 I144F66-S139 VanDerWaalsContact CZ-N 3.31Å; F66-S139 WeakPolarHBondContact CZ-OG 3.24Å; Y88-S139 WeakPolarHBondContact CD1-O 3.44Å; V91-S139 WeakPolarHBondContact CG2-O 3.45Å; S139-C143 CarbonylContact C-O 3.56Å; S139-C143 WeakPolarHBondContact CA-O 3.27Å; S139-C143 VanDerWaalsContact CB-O 3.23Å; S139-C143 WeakPolarHBondContact CB-O 3.12Å; S139-I144 PolarHBondContact OG-O 3.48Å
140N93Very high93.2Very high4 Ų415.6 Ų15.62%0.0218%0.079CC..BIsolated β-bridgetrans-155.3142.6-170.6-168.4-77.4000109.5H133 E138 F142 C143 Q175 W201H133-N140 HydrophobicContact CB-CB 4.28Å; H133-N140 WeakPolarHBondContact CB-O 3.36Å; E138-N140 PolarHBondContact OE1-ND2 3.47Å; N140-F142 PolarHBondContact O-N 2.96Å; N140-C143 PolarHBondContact N-O 3.11Å; N140-C143 VanDerWaalsContact N-O 3.08Å; N140-C143 WeakPolarHBondContact O-CA 3.32Å; N140-C143 WeakPolarHBondContact O-CB 3.38Å; N140-C143 PolarHBondContact O-N 3.49Å; N140-Q175 PolarHBondContact OD1-NE2 2.99Å; N140-W201 VanDerWaalsContact OD1-CH2 3.24Å; N140-W201 WeakPolarHBondContact OD1-CH2 3.49Å; N140-W201 WeakPolarHBondContact OD1-CZ2 3.35Å
141G91.5Very high93.7Very high2 Ų215.4 Ų15.42%0.0218%0.078CC..THydrogen-bonded Turntrans54.450.4172.400000114.9D89 S90 R130 H133 C143 W201D89-G141 PolarHBondContact O-N 3.22Å; S90-G141 CarbonylContact O-C 3.55Å; R130-G141 PolarHBondContact NH1-O 2.95Å; H133-G141 PolarHBondContact CD2-O 2.82Å; G141-C143 PolarHBondContact O-N 2.88Å; G141-C143 VanDerWaalsContact O-N 3.1Å; G141-C143 PolarHBondContact O-SG 2.85Å; G141-W201 VanDerWaalsContact CA-CH2 3.5Å
142F91.4Very high94.3Very high32 Ų3215.4 Ų15.414%0.148%0.078CC..THydrogen-bonded Turntrans62.27.7-173.8-32.4-51.6000115.2H22 E24 S90 R130 N140 Y296H22-F142 AromaticContact CE1-CD1 3.57Å; H22-F142 AromaticContact CE1-CE1 3.29Å; H22-F142 WeakPolarHBondContact CE1-CE1 3.43Å; H22-F142 AromaticContact CE1-CZ 3.68Å; H22-F142 AromaticContact NE2-CD1 3.81Å; H22-F142 AromaticContact NE2-CE1 3.44Å; H22-F142 WeakPolarHBondContact NE2-CE1 3.33Å; E24-F142 HydrophobicContact CB-CB 4.31Å; E24-F142 HydrophobicContact CB-CD2 3.88Å; E24-F142 HydrophobicContact CB-CE2 4.39Å; E24-F142 HydrophobicContact CB-CG 4.04Å; E24-F142 HydrophobicContact CG-CB 3.82Å; E24-F142 HydrophobicContact CG-CD2 4.18Å; E24-F142 HydrophobicContact CG-CG 4.11Å; S90-F142 WeakPolarHBondContact O-CD1 3.41Å; S90-F142 WeakPolarHBondContact O-CE1 3.47Å; S90-F142 PolarHBondContact O-N 3.35Å; R130-F142 HydrophobicContact CG-CB 4.21Å; N140-F142 PolarHBondContact O-N 2.96Å; F142-Y296 HydrophobicContact CE2-CE1 4.47Å
143C94.4Very high94.9Very high0 Ų016.2 Ų16.20%08%0.084CC..BIsolated β-bridgetrans-96.8125.6-179.2-54.90000111.3R130 N131 H133 A134 S139 N140 G141R130-C143 WeakPolarHBondContact O-CA 3.34Å; N131-C143 VanDerWaalsContact CA-SG 3.51Å; N131-C143 PolarHBondContact N-SG 2.96Å; H133-C143 HydrophobicContact CB-CB 4.2Å; A134-C143 HydrophobicContact CB-CB 3.72Å; S139-C143 CarbonylContact C-O 3.56Å; S139-C143 WeakPolarHBondContact CA-O 3.27Å; S139-C143 VanDerWaalsContact CB-O 3.23Å; S139-C143 WeakPolarHBondContact CB-O 3.12Å; N140-C143 PolarHBondContact N-O 3.11Å; N140-C143 VanDerWaalsContact N-O 3.08Å; N140-C143 WeakPolarHBondContact O-CA 3.32Å; N140-C143 WeakPolarHBondContact O-CB 3.38Å; N140-C143 PolarHBondContact O-N 3.49Å; G141-C143 PolarHBondContact O-N 2.88Å; G141-C143 VanDerWaalsContact O-N 3.1Å; G141-C143 PolarHBondContact O-SG 2.85Å
144I96Very high95.3Very high1 Ų118 Ų181%0.0059%0.091CC..SBendtrans-89-58.7178-56-176.2000110.9I70 L93 A101 P129 S139I70-I144 HydrophobicContact CG2-CG2 3.66Å; L93-I144 HydrophobicContact CD2-CD1 3.33Å; L93-I144 HydrophobicContact CD2-CG1 3.8Å; A101-I144 HydrophobicContact CB-CB 4.05Å; A101-I144 HydrophobicContact CB-CD1 4.23Å; A101-I144 HydrophobicContact CB-CG2 3.97Å; P129-I144 HydrophobicContact CB-CD1 4.45Å; P129-I144 HydrophobicContact CB-CG1 4.32Å; P129-I144 HydrophobicContact CG-CB 4.42Å; P129-I144 HydrophobicContact CG-CD1 3.61Å; P129-I144 HydrophobicContact CG-CG1 3.92Å; S139-I144 PolarHBondContact OG-O 3.48Å
145F97.1Very high95.5Very high2 Ų218 Ų181%0.0099%0.091CC..SBendtrans-130.6143.8176.1-62.7-51.3000109.2L58 H62 F66 V67 I70 Y98 A101 N131 N147L58-F145 HydrophobicContact CD1-CD2 3.75Å; L58-F145 HydrophobicContact CD1-CE1 4.3Å; L58-F145 HydrophobicContact CD1-CE2 3.4Å; L58-F145 HydrophobicContact CD1-CG 4.36Å; L58-F145 HydrophobicContact CD1-CZ 3.7Å; L58-F145 HydrophobicContact CD2-CB 4.42Å; L58-F145 HydrophobicContact CD2-CD2 3.96Å; L58-F145 HydrophobicContact CD2-CE2 4.47Å; L58-F145 HydrophobicContact CD2-CG 4.2Å; L58-F145 HydrophobicContact CG-CD2 4.5Å; H62-F145 AromaticContact CD2-CD1 3.88Å; H62-F145 AromaticContact CG-CD1 3.97Å; H62-F145 AromaticContact NE2-CD1 3.97Å; F66-F145 HydrophobicContact CD1-CE1 4.29Å; F66-F145 AromaticContact CE1-CD1 3.93Å; F66-F145 HydrophobicContact CE1-CD1 3.93Å; F66-F145 AromaticContact CE1-CE1 3.96Å; F66-F145 HydrophobicContact CE1-CE1 3.96Å; V67-F145 HydrophobicContact CG2-CE1 4.26Å; I70-F145 HydrophobicContact CB-CE1 4.13Å; I70-F145 HydrophobicContact CB-CZ 3.76Å; I70-F145 HydrophobicContact CG1-CE1 4.04Å; I70-F145 HydrophobicContact CG1-CZ 4.19Å; I70-F145 HydrophobicContact CG2-CE1 4.3Å; I70-F145 HydrophobicContact CG2-CE2 4.15Å; I70-F145 HydrophobicContact CG2-CZ 3.66Å; Y98-F145 AromaticContact CD2-CE2 3.97Å; Y98-F145 HydrophobicContact CD2-CE2 3.97Å; Y98-F145 HydrophobicContact CD2-CZ 4.26Å; Y98-F145 AromaticContact CE2-CE2 3.92Å; Y98-F145 HydrophobicContact CE2-CE2 3.92Å; Y98-F145 HydrophobicContact CE2-CZ 4.07Å; A101-F145 HydrophobicContact CB-CD2 3.68Å; A101-F145 HydrophobicContact CB-CE2 4.1Å; N131-F145 WeakPolarHBondContact CB-O 3.43Å; F145-N147 PolarHBondContact O-N 3.36Å
146N96.8Very high95.8Very high0 Ų019.3 Ų19.30%010%0.098CC..  trans-73.996.9176.7-152.1-57.1000111.7F61 H62 N131 H132 A134 G149 V150 V177F61-N146 HydrophobicContact CD1-CB 3.82Å; F61-N146 HydrophobicContact CE1-CB 3.35Å; F61-N146 HydrophobicContact CE2-CB 4.41Å; F61-N146 HydrophobicContact CG-CB 4.5Å; F61-N146 HydrophobicContact CZ-CB 3.66Å; H62-N146 PolarHBondContact CE1-N 3.24Å; H62-N146 PolarHBondContact NE2-N 3.08Å; N131-N146 WeakPolarHBondContact O-CA 3.19Å; N131-N146 PolarHBondContact O-ND2 3.31Å; H132-N146 PolarHBondContact O-ND2 2.91Å; H132-N146 VanDerWaalsContact O-ND2 3.13Å; A134-N146 HydrophobicContact CB-CB 4.24Å; A134-N146 WeakPolarHBondContact O-CB 3.41Å; A134-N146 PolarHBondContact O-ND2 3.37Å; N146-G149 WeakPolarHBondContact OD1-CA 3.39Å; N146-G149 PolarHBondContact OD1-N 3.26Å; N146-V150 WeakPolarHBondContact O-CB 3.48Å; N146-V150 VanDerWaalsContact O-CG2 3.23Å; N146-V150 WeakPolarHBondContact O-CG2 3.44Å; N146-V150 PolarHBondContact O-N 3.49Å; N146-V177 VanDerWaalsContact OD1-CG1 3.29Å; N146-V177 WeakPolarHBondContact OD1-CG1 3.34Å
147N97Very high96Very high2 Ų220 Ų201%0.01110%0.101CC..Hα-helixtrans-63.3-46.1-178.3-53.9-40.7000111.5C105 V108 P129 N131 F145 A151C105-N147 VanDerWaalsContact CA-OD1 3.32Å; C105-N147 WeakPolarHBondContact CA-OD1 3.36Å; C105-N147 PolarHBondContact N-OD1 2.94Å; C105-N147 PolarHBondContact SG-OD1 3.02Å; V108-N147 HydrophobicContact CB-CB 4.28Å; V108-N147 HydrophobicContact CG2-CB 3.7Å; P129-N147 PolarHBondContact O-ND2 3.11Å; N131-N147 HydrophobicContact CB-CB 3.93Å; N131-N147 VanDerWaalsContact CB-N 3.34Å; N131-N147 VanDerWaalsContact CB-ND2 3.3Å; N131-N147 WeakPolarHBondContact CB-ND2 3.4Å; N131-N147 VanDerWaalsContact CG-CB 3.47Å; N131-N147 VanDerWaalsContact CG-N 3.3Å; N131-N147 VanDerWaalsContact CG-ND2 3.32Å; N131-N147 PolarHBondContact ND2-ND2 2.96Å; N131-N147 WeakPolarHBondContact OD1-CA 3.31Å; N131-N147 WeakPolarHBondContact OD1-CB 3.32Å; N131-N147 PolarHBondContact OD1-N 2.78Å; F145-N147 PolarHBondContact O-N 3.36Å; N147-A151 WeakPolarHBondContact O-CB 3.46Å; N147-A151 PolarHBondContact O-N 2.91Å
148V97.1Very high96.1Very high0 Ų021.4 Ų21.40%010%0.1CC..Hα-helixtrans-67.7-44.5178.8173.10000110.2N131 V150 A151 A152 I166 F250 A291N131-V148 PolarHBondContact OD1-N 2.81Å; V148-V150 PolarHBondContact O-N 3.22Å; V148-A151 PolarHBondContact O-N 3.11Å; V148-A152 WeakPolarHBondContact O-CB 3.3Å; V148-A152 PolarHBondContact O-N 2.62Å; V148-I166 HydrophobicContact CG1-CD1 4.17Å; V148-I166 HydrophobicContact CG1-CG1 4.39Å; V148-I166 HydrophobicContact CG1-CG2 3.93Å; V148-F250 HydrophobicContact CG1-CB 3.69Å; V148-F250 HydrophobicContact CG1-CD1 4.13Å; V148-F250 HydrophobicContact CG1-CD2 4.44Å; V148-F250 HydrophobicContact CG1-CG 3.85Å; V148-A291 HydrophobicContact CG2-CB 3.7Å
149G96.1Very high96.2Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-57.6-48174.600000113.5F61 N146 A151 A152 S153F61-G149 WeakPolarHBondContact CD2-O 3.36Å; N146-G149 WeakPolarHBondContact OD1-CA 3.39Å; N146-G149 PolarHBondContact OD1-N 3.26Å; G149-A151 PolarHBondContact O-N 3.32Å; G149-A152 PolarHBondContact O-N 2.58Å; G149-S153 PolarHBondContact O-N 3.47Å; G149-S153 PolarHBondContact O-OG 3.2Å
150V98.1Very high96.3Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-60-44.1174.5164.50000111.4V57 L58 F61 V109 N146 V148 Y154V57-V150 HydrophobicContact CG1-CG1 3.78Å; V57-V150 WeakPolarHBondContact O-CG1 3.37Å; L58-V150 HydrophobicContact CD2-CG2 4.35Å; F61-V150 HydrophobicContact CB-CG2 3.77Å; V109-V150 HydrophobicContact CG2-CG1 4.01Å; N146-V150 WeakPolarHBondContact O-CB 3.48Å; N146-V150 VanDerWaalsContact O-CG2 3.23Å; N146-V150 WeakPolarHBondContact O-CG2 3.44Å; N146-V150 PolarHBondContact O-N 3.49Å; V148-V150 PolarHBondContact O-N 3.22Å; V150-Y154 VanDerWaalsContact O-CB 3.27Å; V150-Y154 WeakPolarHBondContact O-CB 3.43Å; V150-Y154 PolarHBondContact O-N 2.88Å
151A98.2Very high96.5Very high1 Ų123.6 Ų23.61%0.00813%0.128CC..Hα-helixtrans-67.8-36.9178.800000113.1V108 V109 N147 V148 G149 S155 F250V108-A151 HydrophobicContact CB-CB 4.19Å; V108-A151 HydrophobicContact CG1-CB 3.58Å; V109-A151 HydrophobicContact CG2-CB 4.13Å; N147-A151 WeakPolarHBondContact O-CB 3.46Å; N147-A151 PolarHBondContact O-N 2.91Å; V148-A151 PolarHBondContact O-N 3.11Å; G149-A151 PolarHBondContact O-N 3.32Å; A151-S155 WeakPolarHBondContact O-CB 3.35Å; A151-S155 PolarHBondContact O-N 3.38Å; A151-S155 PolarHBondContact O-OG 3.28Å; A151-F250 HydrophobicContact CB-CE1 3.63Å; A151-F250 HydrophobicContact CB-CZ 3.64Å
152A97.3Very high96.8Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-64.4-51.5173.600000111.3V148 G149 Y154 S155 L156 I164 I166 F181 F250V148-A152 WeakPolarHBondContact O-CB 3.3Å; V148-A152 PolarHBondContact O-N 2.62Å; G149-A152 PolarHBondContact O-N 2.58Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.11Å; A152-S155 WeakPolarHBondContact O-CB 3.12Å; A152-S155 PolarHBondContact O-N 3.07Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.71Å; A152-I164 HydrophobicContact CB-CD1 4.02Å; A152-I164 HydrophobicContact CB-CG2 4.4Å; A152-I164 WeakPolarHBondContact O-CD1 3.27Å; A152-I166 HydrophobicContact CB-CD1 4.23Å; A152-F181 HydrophobicContact CB-CE2 4.03Å; A152-F181 HydrophobicContact CB-CZ 3.81Å; A152-F250 HydrophobicContact CB-CD2 4.38Å; A152-F250 HydrophobicContact CB-CE2 3.94Å
153S97.5Very high97Very high16 Ų1632.1 Ų32.111%0.11217%0.165CC..Hα-helixtrans-59.3-40.3175.8-66.70000112.8L60 G149 S155 K157L60-S153 WeakPolarHBondContact O-CB 3.45Å; L60-S153 PolarHBondContact O-OG 3.35Å; G149-S153 PolarHBondContact O-N 3.47Å; G149-S153 PolarHBondContact O-OG 3.2Å; S153-S155 VanDerWaalsContact C-N 3.31Å; S153-S155 PolarHBondContact O-N 2.57Å; S153-K157 WeakPolarHBondContact O-CB 3.46Å; S153-K157 PolarHBondContact O-N 3.33Å; S153-K157 VanDerWaalsContact O-N 3.11Å
154Y98.3Very high97.1Very high38 Ų3832.1 Ų32.115%0.14917%0.165CC..Hα-helixtrans-62.1-39.1174.2-170.5-85.5000111.9V57 L60 V109 K113 V150 A152 K157 H158 L159V57-Y154 HydrophobicContact CG1-CD2 4.28Å; V57-Y154 HydrophobicContact CG2-CD2 4.41Å; V57-Y154 HydrophobicContact CG2-CE2 4.28Å; L60-Y154 HydrophobicContact CD1-CD2 3.69Å; L60-Y154 HydrophobicContact CD1-CG 4.23Å; V109-Y154 HydrophobicContact CG1-CD1 3.83Å; V109-Y154 HydrophobicContact CG1-CD2 4.23Å; V109-Y154 HydrophobicContact CG1-CE1 3.96Å; V109-Y154 HydrophobicContact CG1-CE2 4.38Å; V109-Y154 HydrophobicContact CG1-CG 3.98Å; K113-Y154 HydrophobicContact CD-CE1 4.03Å; K113-Y154 HydrophobicContact CG-CE1 4.18Å; V150-Y154 VanDerWaalsContact O-CB 3.27Å; V150-Y154 WeakPolarHBondContact O-CB 3.43Å; V150-Y154 PolarHBondContact O-N 2.88Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.11Å; Y154-K157 PolarHBondContact O-N 3.07Å; Y154-H158 HydrophobicContact CD1-CB 4.32Å; Y154-H158 AromaticContact CD2-CD2 3.67Å; Y154-H158 HydrophobicContact CE1-CB 4.03Å; Y154-H158 HydrophobicContact CE2-CB 4.43Å; Y154-H158 AromaticContact CE2-CD2 3.7Å; Y154-H158 WeakPolarHBondContact O-CB 3.34Å; Y154-H158 PolarHBondContact O-N 3.29Å; Y154-L159 HydrophobicContact CD1-CD1 4.13Å; Y154-L159 HydrophobicContact CD1-CG 4.12Å; Y154-L159 HydrophobicContact CE1-CD1 4.3Å; Y154-L159 HydrophobicContact CE1-CD2 4.07Å; Y154-L159 HydrophobicContact CE1-CG 4.08Å
155S98Very high97.1Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-67.9-45.7-178.8-60.50000112.7T112 A151 A152 S153 K157 L159 G160 V161T112-S155 WeakPolarHBondContact CG2-OG 3.44Å; A151-S155 WeakPolarHBondContact O-CB 3.35Å; A151-S155 PolarHBondContact O-N 3.38Å; A151-S155 PolarHBondContact O-OG 3.28Å; A152-S155 WeakPolarHBondContact O-CB 3.12Å; A152-S155 PolarHBondContact O-N 3.07Å; S153-S155 VanDerWaalsContact C-N 3.31Å; S153-S155 PolarHBondContact O-N 2.57Å; S155-K157 VanDerWaalsContact C-N 3.35Å; S155-L159 WeakPolarHBondContact O-CA 3.49Å; S155-L159 WeakPolarHBondContact O-CB 3.34Å; S155-L159 PolarHBondContact O-N 3.11Å; S155-G160 PolarHBondContact O-N 3.29Å; S155-V161 PolarHBondContact O-N 3.24Å
156L96.6Very high97Very high49 Ų4932 Ų3226%0.25716%0.164SC..Hα-helixtrans-59.4-45.4174.4-63.9174.4000111.4A152 V161 I164 N186 V187A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.71Å; L156-V161 WeakPolarHBondContact CD2-O 3.46Å; L156-I164 HydrophobicContact CD1-CD1 4.49Å; L156-I164 HydrophobicContact CD2-CD1 3.7Å; L156-I164 HydrophobicContact CD2-CG1 4.05Å; L156-I164 HydrophobicContact CG-CD1 3.7Å; L156-N186 HydrophobicContact CD2-CB 4.31Å; L156-V187 HydrophobicContact CD1-CG2 3.78Å
157K97.4Very high96.9Very high140 Ų14032 Ų3261%0.60916%0.164SC*.Hα-helixtrans-81.3-33-172.1-168.6177.4177.7-177.60114.3L60 S153 Y154 S155L60-K157 HydrophobicContact CD2-CD 3.6Å; S153-K157 WeakPolarHBondContact O-CB 3.46Å; S153-K157 PolarHBondContact O-N 3.33Å; S153-K157 VanDerWaalsContact O-N 3.11Å; Y154-K157 PolarHBondContact O-N 3.07Å; S155-K157 VanDerWaalsContact C-N 3.35Å
158H97.6Very high96.8Very high98 Ų9832.1 Ų32.145%0.45417%0.165SC..Hα-helixtrans-126.9-14.3-167.2-61-62000115.4Y154Y154-H158 HydrophobicContact CD1-CB 4.32Å; Y154-H158 AromaticContact CD2-CD2 3.67Å; Y154-H158 HydrophobicContact CE1-CB 4.03Å; Y154-H158 HydrophobicContact CE2-CB 4.43Å; Y154-H158 AromaticContact CE2-CD2 3.7Å; Y154-H158 WeakPolarHBondContact O-CB 3.34Å; Y154-H158 PolarHBondContact O-N 3.29Å
159L97.2Very high96.7Very high44 Ų4432.1 Ų32.123%0.2317%0.165CC..SBendtrans-112.93.2-176.6-55.9-178.4000113.9T112 K113 I116 Y154 S155 V161T112-L159 HydrophobicContact CG2-CD1 4.13Å; K113-L159 HydrophobicContact CG-CD1 3.93Å; K113-L159 HydrophobicContact CG-CD2 4.03Å; I116-L159 HydrophobicContact CG1-CD1 4.35Å; I116-L159 HydrophobicContact CG2-CB 4.3Å; Y154-L159 HydrophobicContact CD1-CD1 4.13Å; Y154-L159 HydrophobicContact CD1-CG 4.12Å; Y154-L159 HydrophobicContact CE1-CD1 4.3Å; Y154-L159 HydrophobicContact CE1-CD2 4.07Å; Y154-L159 HydrophobicContact CE1-CG 4.08Å; S155-L159 WeakPolarHBondContact O-CA 3.49Å; S155-L159 WeakPolarHBondContact O-CB 3.34Å; S155-L159 PolarHBondContact O-N 3.11Å; L159-V161 HydrophobicContact CB-CG2 4.06Å; L159-V161 PolarHBondContact O-N 3.1Å
160G95.8Very high96.6Very high62 Ų6232.1 Ų32.164%0.63917%0.165SC*.  trans6913.5178.100000114.6S155S155-G160 PolarHBondContact O-N 3.29Å
161V97.7Very high96.3Very high9 Ų932.1 Ų32.16%0.05517%0.165CC..  trans-70.8127.9176.9179.30000108.4I116 S155 L156 L159 I164 D247 L248I116-V161 HydrophobicContact CD1-CG2 3.57Å; I116-V161 HydrophobicContact CG1-CG2 3.9Å; I116-V161 HydrophobicContact CG2-CG2 4.45Å; S155-V161 PolarHBondContact O-N 3.24Å; L156-V161 WeakPolarHBondContact CD2-O 3.46Å; L159-V161 HydrophobicContact CB-CG2 4.06Å; L159-V161 PolarHBondContact O-N 3.1Å; V161-I164 HydrophobicContact CG1-CD1 4.02Å; V161-I164 HydrophobicContact CG1-CG1 3.53Å; V161-D247 HydrophobicContact CG1-CB 3.98Å; V161-L248 HydrophobicContact CG1-CB 3.93Å; V161-L248 HydrophobicContact CG1-CD2 4.35Å
162K97.3Very high95.9Very high154 Ų15433 Ų3367%0.6717%0.168SC*.  trans-101.7-37.4-175.5-60.7-179.7179.8179.10112.5N186 D247K162-N186 VanDerWaalsContact O-CB 3.23Å; K162-N186 WeakPolarHBondContact O-CB 3.24Å; K162-N186 PolarHBondContact O-OD1 3.2Å; K162-D247 WeakPolarHBondContact CA-OD2 3.31Å; K162-D247 WeakPolarHBondContact CB-OD2 3.46Å; K162-D247 PolarHBondContact N-OD2 3.47Å
163K95.9Very high95.2Very high59 Ų5933.2 Ų33.226%0.25717%0.169SC..  trans-126.3125.4178.8-70.1-175.1-68.3171.20111.4N186 F244 Q245 D247 L248K163-N186 CarbonylContact C-O 3.56Å; K163-N186 WeakPolarHBondContact CA-O 3.4Å; K163-F244 HydrophobicContact CB-CE1 3.96Å; K163-F244 HydrophobicContact CB-CZ 3.89Å; K163-F244 HydrophobicContact CD-CE2 4.16Å; K163-F244 HydrophobicContact CD-CZ 4.27Å; K163-F244 WeakPolarHBondContact CD-O 3.27Å; K163-F244 WeakPolarHBondContact CE-O 3.44Å; K163-F244 HydrophobicContact CG-CE2 4.4Å; K163-F244 HydrophobicContact CG-CZ 4.09Å; K163-F244 PolarHBondContact NZ-O 3.25Å; K163-Q245 WeakPolarHBondContact CE-O 3.09Å; K163-Q245 PolarHBondContact NZ-O 2.76Å; K163-D247 PolarHBondContact N-OD2 3.32Å; K163-D247 WeakPolarHBondContact O-CB 3.25Å; K163-D247 PolarHBondContact O-N 2.96Å; K163-L248 PolarHBondContact O-N 2.81Å
164I97Very high94.5Very high0 Ų032.6 Ų32.60%017%0.165CC..EExtended strand (participates in β ladder)trans-118.8130.4-180-59.5-177.8000109A152 L156 V161 I166 N186 V187 L188 F244 F250A152-I164 HydrophobicContact CB-CD1 4.02Å; A152-I164 HydrophobicContact CB-CG2 4.4Å; A152-I164 WeakPolarHBondContact O-CD1 3.27Å; L156-I164 HydrophobicContact CD1-CD1 4.49Å; L156-I164 HydrophobicContact CD2-CD1 3.7Å; L156-I164 HydrophobicContact CD2-CG1 4.05Å; L156-I164 HydrophobicContact CG-CD1 3.7Å; V161-I164 HydrophobicContact CG1-CD1 4.02Å; V161-I164 HydrophobicContact CG1-CG1 3.53Å; I164-I166 HydrophobicContact CG2-CG1 4.04Å; I164-N186 PolarHBondContact N-O 2.69Å; I164-V187 HydrophobicContact CB-CG1 4.38Å; I164-V187 HydrophobicContact CB-CG2 4.33Å; I164-V187 HydrophobicContact CG2-CG1 4.46Å; I164-V187 CarbonylContact O-C 3.56Å; I164-V187 WeakPolarHBondContact O-CA 3.41Å; I164-L188 PolarHBondContact O-N 3.36Å; I164-F244 WeakPolarHBondContact O-CE1 3.31Å; I164-F250 HydrophobicContact CD1-CE2 4.48Å; I164-F250 HydrophobicContact CG2-CD2 3.58Å; I164-F250 HydrophobicContact CG2-CE2 3.85Å
165L95.8Very high93.7Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-102.6128.1167.2174.562.2000108.8I167 L188 V190 A241 P246 L248 V249 F250 I283L165-I167 HydrophobicContact CD1-CD1 3.62Å; L165-I167 HydrophobicContact CD1-CG1 4.39Å; L165-I167 HydrophobicContact CD2-CD1 3.95Å; L165-I167 HydrophobicContact CD2-CG1 4.14Å; L165-I167 HydrophobicContact CG-CD1 3.77Å; L165-I167 HydrophobicContact CG-CG1 4Å; L165-L188 CarbonylContact C-O 3.44Å; L165-L188 WeakPolarHBondContact CA-O 3.25Å; L165-L188 HydrophobicContact CD1-CB 4.12Å; L165-L188 HydrophobicContact CD1-CD2 3.75Å; L165-L188 HydrophobicContact CD1-CG 3.78Å; L165-V190 HydrophobicContact CD1-CG2 4.18Å; L165-A241 HydrophobicContact CD2-CB 3.49Å; L165-A241 VanDerWaalsContact CD2-CB 3.49Å; L165-P246 HydrophobicContact CB-CB 3.7Å; L165-P246 HydrophobicContact CB-CG 3.74Å; L165-P246 HydrophobicContact CD2-CG 4.11Å; L165-L248 PolarHBondContact N-O 2.76Å; L165-V249 HydrophobicContact CB-CG2 4.34Å; L165-V249 HydrophobicContact CD2-CG1 4.34Å; L165-V249 HydrophobicContact CD2-CG2 4.19Å; L165-V249 HydrophobicContact CG-CG1 4.42Å; L165-V249 CarbonylContact O-C 3.58Å; L165-V249 WeakPolarHBondContact O-CA 3.37Å; L165-F250 PolarHBondContact O-N 2.82Å; L165-I283 HydrophobicContact CD2-CG2 4.29Å
166I95.1Very high93.1Very high1 Ų130.8 Ų30.81%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-112113171.1-55.6178.5000107.2V148 A152 I164 V177 F181 V187 L188 V190 F250V148-I166 HydrophobicContact CG1-CD1 4.17Å; V148-I166 HydrophobicContact CG1-CG1 4.39Å; V148-I166 HydrophobicContact CG1-CG2 3.93Å; A152-I166 HydrophobicContact CB-CD1 4.23Å; I164-I166 HydrophobicContact CG2-CG1 4.04Å; I166-V177 HydrophobicContact CD1-CB 4.39Å; I166-V177 HydrophobicContact CD1-CG1 4.41Å; I166-F181 HydrophobicContact CD1-CD2 4.08Å; I166-F181 HydrophobicContact CD1-CE2 3.97Å; I166-V187 HydrophobicContact CD1-CG1 3.73Å; I166-V187 HydrophobicContact CG1-CG1 4.11Å; I166-L188 PolarHBondContact N-O 3.3Å; I166-V190 PolarHBondContact O-N 2.85Å; I166-F250 HydrophobicContact CG1-CB 4.28Å; I166-F250 HydrophobicContact CG1-CD2 4.38Å; I166-F250 HydrophobicContact CG2-CB 4.46Å
167I94.9Very high92.4Very high0 Ų028.6 Ų28.60%015%0.147CC..EExtended strand (participates in β ladder)trans-98.7120.7170.6-57.6-55.1000108.5L165 V190 F233 I237 V249 F250 V251 S252 L280L165-I167 HydrophobicContact CD1-CD1 3.62Å; L165-I167 HydrophobicContact CD1-CG1 4.39Å; L165-I167 HydrophobicContact CD2-CD1 3.95Å; L165-I167 HydrophobicContact CD2-CG1 4.14Å; L165-I167 HydrophobicContact CG-CD1 3.77Å; L165-I167 HydrophobicContact CG-CG1 4Å; I167-V190 HydrophobicContact CD1-CB 3.93Å; I167-V190 HydrophobicContact CD1-CG2 4.21Å; I167-F233 HydrophobicContact CG2-CZ 4.25Å; I167-I237 HydrophobicContact CD1-CG2 3.54Å; I167-I237 HydrophobicContact CG1-CG2 4.35Å; I167-I237 HydrophobicContact CG2-CD1 4.49Å; I167-V249 HydrophobicContact CG1-CG1 4.43Å; I167-F250 PolarHBondContact N-O 2.67Å; I167-V251 CarbonylContact O-C 3.58Å; I167-V251 VanDerWaalsContact O-CA 3.26Å; I167-V251 WeakPolarHBondContact O-CA 3.32Å; I167-S252 PolarHBondContact O-N 3.17Å; I167-L280 HydrophobicContact CB-CD1 4.23Å; I167-L280 HydrophobicContact CG1-CD1 4.11Å; I167-L280 HydrophobicContact CG1-CD2 3.93Å; I167-L280 HydrophobicContact CG2-CD1 4.18Å
168D93.1Very high91.3Very high4 Ų424.5 Ų24.52%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-109.8117.7172.8-168.1-0.5000109.4H132 D170 G174 V190 S191 I192 S252H132-D168 IonicContact CE1-OD2 2.77Å; H132-D168 IonicContact CG-OD2 3.21Å; H132-D168 IonicContact ND1-OD1 3.56Å; H132-D168 PolarHBondContact ND1-OD1 3Å; H132-D168 IonicContact ND1-OD2 2.7Å; H132-D168 PolarHBondContact ND1-OD2 3.05Å; D168-D170 WeakPolarHBondContact OD1-CB 3.28Å; D168-D170 PolarHBondContact OD1-N 2.95Å; D168-D170 VanDerWaalsContact OD1-N 3.16Å; D168-G174 WeakPolarHBondContact OD2-CA 3.27Å; D168-G174 PolarHBondContact OD2-N 3.42Å; D168-V190 PolarHBondContact N-O 3.46Å; D168-S191 CarbonylContact O-C 3.55Å; D168-S191 VanDerWaalsContact O-CA 3.31Å; D168-S191 WeakPolarHBondContact O-CA 3.36Å; D168-I192 PolarHBondContact O-N 3.12Å; D168-S252 WeakPolarHBondContact OD1-CB 3.32Å
169W95.2Very high90.4Very high0 Ų023.7 Ų23.70%013%0.126CC..  trans-117.15.7178.170.539.8000112.6F233 V251 S252 A253 G254 F255 F273 F276 L280 V308W169-F233 HydrophobicContact CE3-CZ 4.01Å; W169-V251 HydrophobicContact CD2-CG1 3.76Å; W169-V251 HydrophobicContact CE3-CG1 3.65Å; W169-V251 HydrophobicContact CH2-CG1 3.75Å; W169-V251 HydrophobicContact CZ2-CG1 3.82Å; W169-V251 HydrophobicContact CZ3-CG1 3.66Å; W169-S252 PolarHBondContact N-O 3.29Å; W169-A253 HydrophobicContact CZ2-CB 4.04Å; W169-G254 PolarHBondContact NE1-O 2.89Å; W169-F255 HydrophobicContact CZ2-CE1 4.17Å; W169-F255 HydrophobicContact CZ2-CZ 4.39Å; W169-F273 AromaticContact CD1-CE1 3.95Å; W169-F273 HydrophobicContact CD2-CD1 4.38Å; W169-F273 AromaticContact CE2-CD1 3.81Å; W169-F273 HydrophobicContact CZ2-CD1 4.1Å; W169-F273 AromaticContact NE1-CD1 3.66Å; W169-F273 AromaticContact NE1-CE1 3.82Å; W169-F276 HydrophobicContact CD2-CD2 4.49Å; W169-F276 HydrophobicContact CE3-CB 3.93Å; W169-F276 HydrophobicContact CE3-CD2 4.19Å; W169-F276 HydrophobicContact CH2-CB 4.3Å; W169-F276 HydrophobicContact CZ3-CB 3.55Å; W169-F276 HydrophobicContact CZ3-CD2 4.45Å; W169-L280 HydrophobicContact CZ3-CD1 4.05Å; W169-V308 HydrophobicContact CH2-CG2 4.19Å; W169-V308 HydrophobicContact CZ2-CG2 3.99Å
170D94.1Very high89.8Confident0 Ų023.8 Ų23.80%013%0.128CC..SBendtrans-58.6144.2168.2-172.9-64.8000108.8R130 H132 D168 Y172 G254 E293 G294R130-D170 IonicContact NH2-OD1 2.76Å; R130-D170 PolarHBondContact NH2-OD1 3.01Å; R130-D170 IonicContact NH2-OD2 3.95Å; R130-D170 PolarHBondContact NH2-OD2 2.92Å; R130-D170 VanDerWaalsContact NH2-OD2 3.11Å; H132-D170 WeakPolarHBondContact CE1-CB 3.41Å; H132-D170 IonicContact CE1-OD1 3.69Å; H132-D170 PolarHBondContact CE1-OD1 3.42Å; H132-D170 IonicContact CE1-OD2 3.78Å; H132-D170 IonicContact NE2-OD1 2.58Å; H132-D170 IonicContact NE2-OD2 2.97Å; H132-D170 PolarHBondContact NE2-OD2 3.37Å; D168-D170 WeakPolarHBondContact OD1-CB 3.28Å; D168-D170 PolarHBondContact OD1-N 2.95Å; D168-D170 VanDerWaalsContact OD1-N 3.16Å; D170-Y172 PolarHBondContact O-N 3.25Å; D170-Y172 VanDerWaalsContact O-N 3.13Å; D170-Y172 WeakPolarHBondContact OD1-CB 3.34Å; D170-Y172 WeakPolarHBondContact OD1-CD2 3.3Å; D170-Y172 PolarHBondContact OD1-N 2.87Å; D170-G254 WeakPolarHBondContact OD2-CA 3.32Å; D170-E293 HydrophobicContact CB-CB 4.36Å; D170-E293 VanDerWaalsContact OD2-CB 3.24Å; D170-E293 WeakPolarHBondContact OD2-CB 3.45Å; D170-G294 VanDerWaalsContact OD2-CA 3.31Å; D170-G294 WeakPolarHBondContact OD2-CA 3.5Å; D170-G294 PolarHBondContact OD2-N 3.21Å
171V91.8Very high89.2Confident0 Ų021.3 Ų21.30%010%0.1CC..SBendtrans-66.4-17.3-174.580.70000112.2H193 R194 F200 D256 A257 M266V171-H193 CarbonylContact O-C 3.51Å; V171-H193 WeakPolarHBondContact O-CA 3.46Å; V171-R194 HydrophobicContact CG2-CB 3.76Å; V171-R194 PolarHBondContact O-N 3.3Å; V171-F200 HydrophobicContact CG1-CE1 4.44Å; V171-D256 HydrophobicContact CB-CB 4.31Å; V171-D256 HydrophobicContact CG1-CB 3.69Å; V171-D256 VanDerWaalsContact CG1-CG 3.48Å; V171-D256 WeakPolarHBondContact CG1-OD1 3Å; V171-D256 PolarHBondContact N-OD1 2.86Å; V171-A257 HydrophobicContact CB-CB 4.24Å; V171-A257 HydrophobicContact CG2-CB 4.34Å; V171-M266 HydrophobicContact CG2-CE 4.39Å; V171-M266 HydrophobicContact CG2-CG 3.77Å
172Y90.1Very high88.2Confident20 Ų2029 Ų298%0.07813%0.129CC..SBendtrans-96.6146.6176.1-62.6-80.9000112H132 H133 D170 G174 F200 W201 L263 Y296H132-Y172 PolarHBondContact CE1-O 3.2Å; H132-Y172 VanDerWaalsContact CE1-O 3.3Å; H133-Y172 WeakPolarHBondContact CE1-CB 3.24Å; D170-Y172 PolarHBondContact O-N 3.25Å; D170-Y172 VanDerWaalsContact O-N 3.13Å; D170-Y172 WeakPolarHBondContact OD1-CB 3.34Å; D170-Y172 WeakPolarHBondContact OD1-CD2 3.3Å; D170-Y172 PolarHBondContact OD1-N 2.87Å; Y172-G174 PolarHBondContact O-N 2.89Å; Y172-F200 HydrophobicContact CD1-CD1 4.08Å; Y172-F200 AromaticContact CD1-CE1 3.34Å; Y172-F200 HydrophobicContact CD1-CE1 3.34Å; Y172-F200 AromaticContact CD1-CZ 3.95Å; Y172-F200 HydrophobicContact CD1-CZ 3.95Å; Y172-F200 HydrophobicContact CE1-CD1 4.12Å; Y172-F200 AromaticContact CE1-CE1 3.21Å; Y172-F200 HydrophobicContact CE1-CE1 3.21Å; Y172-F200 HydrophobicContact CE1-CE2 4.27Å; Y172-F200 AromaticContact CE1-CZ 3.3Å; Y172-F200 HydrophobicContact CE1-CZ 3.3Å; Y172-F200 HydrophobicContact CG-CE1 4.21Å; Y172-F200 AromaticContact CZ-CE1 3.95Å; Y172-F200 AromaticContact CZ-CZ 3.67Å; Y172-W201 AromaticContact CD1-CE3 3.56Å; Y172-W201 HydrophobicContact CD1-CE3 3.56Å; Y172-W201 HydrophobicContact CD1-CZ3 4.16Å; Y172-W201 WeakPolarHBondContact CD1-O 3.42Å; Y172-W201 HydrophobicContact CE1-CB 4.34Å; Y172-W201 AromaticContact CE1-CE3 3.95Å; Y172-W201 HydrophobicContact CE1-CE3 3.95Å; Y172-W201 HydrophobicContact CG-CE3 4.28Å; Y172-W201 HydrophobicContact CG-CZ3 4.47Å; Y172-L263 VanDerWaalsContact OH-CB 3.24Å; Y172-L263 WeakPolarHBondContact OH-CB 3.42Å; Y172-Y296 HydrophobicContact CE2-CE2 4.12Å
173Y83.7Confident87.3Confident3 Ų329.1 Ų29.11%0.01214%0.137CC..  trans-68.2119175.7166.9-119.9000111.2H133 Q175 Q178 H193 P202 M204 E206 A207H133-Y173 PolarHBondContact CE1-O 2.85Å; H133-Y173 VanDerWaalsContact CE1-O 3.22Å; H133-Y173 PolarHBondContact ND1-O 3.44Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 HydrophobicContact CD1-CB 3.83Å; Y173-Q175 HydrophobicContact CE1-CB 3.34Å; Y173-Q175 PolarHBondContact O-N 3.44Å; Y173-Q175 PolarHBondContact O-OE1 2.92Å; Y173-Q178 HydrophobicContact CE2-CB 4.49Å; Y173-Q178 PolarHBondContact OH-NE2 2.88Å; Y173-H193 AromaticContact CD2-CE1 3.59Å; Y173-H193 AromaticContact CD2-ND1 3.76Å; Y173-P202 HydrophobicContact CD1-CG 4.12Å; Y173-M204 HydrophobicContact CE1-SD 4.45Å; Y173-E206 HydrophobicContact CE1-CG 4.01Å; Y173-E206 VanDerWaalsContact CE1-OE1 3.24Å; Y173-E206 WeakPolarHBondContact CE1-OE1 3.5Å; Y173-E206 PolarHBondContact OH-OE1 3.25Å; Y173-A207 HydrophobicContact CD1-CB 3.54Å; Y173-A207 HydrophobicContact CD2-CB 4.33Å; Y173-A207 HydrophobicContact CE1-CB 4.1Å; Y173-A207 HydrophobicContact CG-CB 3.66Å
174G82.2Confident86.8Confident3 Ų328.5 Ų28.53%0.03114%0.137CC..  trans-78.967.4177.600000114H132 D168 Y172 G176 V177H132-G174 WeakPolarHBondContact ND1-CA 3.31Å; D168-G174 WeakPolarHBondContact OD2-CA 3.27Å; D168-G174 PolarHBondContact OD2-N 3.42Å; Y172-G174 PolarHBondContact O-N 2.89Å; G174-G176 PolarHBondContact O-N 3.33Å; G174-G176 VanDerWaalsContact O-N 3.12Å; G174-V177 WeakPolarHBondContact O-CG2 3.38Å
175Q81Confident86.4Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-55.1-32.1-175.675.7-81.833.100114.2H133 M135 N140 Y173 V177 Q178 H179 M204H133-Q175 PolarHBondContact ND1-OE1 3.45Å; M135-Q175 HydrophobicContact CG-CG 4.2Å; M135-Q175 HydrophobicContact SD-CG 4.02Å; N140-Q175 PolarHBondContact OD1-NE2 2.99Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 HydrophobicContact CD1-CB 3.83Å; Y173-Q175 HydrophobicContact CE1-CB 3.34Å; Y173-Q175 PolarHBondContact O-N 3.44Å; Y173-Q175 PolarHBondContact O-OE1 2.92Å; Q175-V177 PolarHBondContact O-N 3.16Å; Q175-Q178 PolarHBondContact O-N 3.21Å; Q175-H179 PolarHBondContact O-N 2.98Å; Q175-M204 HydrophobicContact CB-SD 3.93Å; Q175-M204 HydrophobicContact CG-CE 4.04Å; Q175-M204 HydrophobicContact CG-SD 3.86Å
176G85.7Confident86.1Confident0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-59.6-47.5-173.500000113.3F61 H132 A134 G174 V180F61-G176 WeakPolarHBondContact CZ-O 3.41Å; H132-G176 WeakPolarHBondContact O-CA 3.5Å; H132-G176 PolarHBondContact O-N 2.8Å; A134-G176 WeakPolarHBondContact O-CA 3.26Å; G174-G176 PolarHBondContact O-N 3.33Å; G174-G176 VanDerWaalsContact O-N 3.12Å; G176-V180 PolarHBondContact O-N 3.4Å
177V81Confident85.9Confident4 Ų437.6 Ų37.62%0.02419%0.194CC..Hα-helixtrans-70.5-36.1177.2-67.70000111.9F61 N146 I166 G174 Q175 F181F61-V177 HydrophobicContact CE2-CG1 4.49Å; N146-V177 VanDerWaalsContact OD1-CG1 3.29Å; N146-V177 WeakPolarHBondContact OD1-CG1 3.34Å; I166-V177 HydrophobicContact CD1-CB 4.39Å; I166-V177 HydrophobicContact CD1-CG1 4.41Å; G174-V177 WeakPolarHBondContact O-CG2 3.38Å; Q175-V177 PolarHBondContact O-N 3.16Å; V177-F181 HydrophobicContact CB-CD2 4.26Å; V177-F181 WeakPolarHBondContact O-CB 3.09Å; V177-F181 VanDerWaalsContact O-CD2 3.24Å; V177-F181 WeakPolarHBondContact O-CD2 3.33Å; V177-F181 PolarHBondContact O-N 2.94Å; V177-F181 VanDerWaalsContact O-N 3.11Å
178Q75.9Confident85.7Confident54 Ų5438.9 Ų38.925%0.25220%0.201SC..Hα-helixtrans-63.8-45.4178.6-179.1159.2-4900111.2Y173 Q175 V180 F181 Y182Y173-Q178 HydrophobicContact CE2-CB 4.49Å; Y173-Q178 PolarHBondContact OH-NE2 2.88Å; Q175-Q178 PolarHBondContact O-N 3.21Å; Q178-V180 PolarHBondContact O-N 3.26Å; Q178-F181 PolarHBondContact O-N 2.7Å; Q178-Y182 HydrophobicContact CG-CD2 4.26Å; Q178-Y182 WeakPolarHBondContact O-CA 3.39Å; Q178-Y182 VanDerWaalsContact O-CB 3.3Å; Q178-Y182 WeakPolarHBondContact O-CB 3.47Å; Q178-Y182 PolarHBondContact O-N 3.16Å
179H78.1Confident85.5Confident81 Ų8140.4 Ų40.438%0.37521%0.211SC..Hα-helixtrans-59.4-46.5178.2-80.4-160.2000113.4Q175 E206Q175-H179 PolarHBondContact O-N 2.98Å; H179-E206 IonicContact CD2-OE1 2.9Å; H179-E206 PolarHBondContact CD2-OE1 3.1Å; H179-E206 IonicContact CD2-OE2 3.32Å; H179-E206 IonicContact CE1-OE1 3.73Å; H179-E206 IonicContact CE1-OE2 3.54Å; H179-E206 IonicContact NE2-OE1 2.87Å; H179-E206 PolarHBondContact NE2-OE1 3.48Å; H179-E206 IonicContact NE2-OE2 3.11Å; H179-E206 PolarHBondContact NE2-OE2 3.35Å
180V84.3Confident85.3Confident46 Ų4641.8 Ų41.828%0.27922%0.219SC..Hα-helixtrans-73.3-31.2-175.6174.30000112F61 K136 G176 Q178F61-V180 HydrophobicContact CD1-CG2 4.24Å; F61-V180 HydrophobicContact CD2-CB 4.08Å; F61-V180 HydrophobicContact CD2-CG1 3.69Å; F61-V180 HydrophobicContact CD2-CG2 4.21Å; F61-V180 HydrophobicContact CE1-CB 4.47Å; F61-V180 HydrophobicContact CE1-CG2 3.73Å; F61-V180 HydrophobicContact CE2-CB 3.5Å; F61-V180 HydrophobicContact CE2-CG1 3.65Å; F61-V180 HydrophobicContact CE2-CG2 3.69Å; F61-V180 HydrophobicContact CG-CG1 4.38Å; F61-V180 HydrophobicContact CG-CG2 4.49Å; F61-V180 HydrophobicContact CZ-CB 3.77Å; F61-V180 HydrophobicContact CZ-CG1 4.3Å; F61-V180 HydrophobicContact CZ-CG2 3.45Å; F61-V180 VanDerWaalsContact CZ-CG2 3.45Å; K136-V180 HydrophobicContact CB-CG2 4.12Å; G176-V180 PolarHBondContact O-N 3.4Å; Q178-V180 PolarHBondContact O-N 3.26Å
181F84.3Confident85Confident10 Ų1043.3 Ų43.34%0.04423%0.23CC..Hα-helixtrans-103.32.6-178.1-59.6-53.8000115F61 A152 I166 V177 Q178 N183 N184 V187F61-F181 HydrophobicContact CD2-CE2 4.35Å; F61-F181 HydrophobicContact CD2-CZ 4.12Å; F61-F181 AromaticContact CE2-CE2 3.94Å; F61-F181 HydrophobicContact CE2-CE2 3.94Å; F61-F181 HydrophobicContact CE2-CZ 4.15Å; A152-F181 HydrophobicContact CB-CE2 4.03Å; A152-F181 HydrophobicContact CB-CZ 3.81Å; I166-F181 HydrophobicContact CD1-CD2 4.08Å; I166-F181 HydrophobicContact CD1-CE2 3.97Å; V177-F181 HydrophobicContact CB-CD2 4.26Å; V177-F181 WeakPolarHBondContact O-CB 3.09Å; V177-F181 VanDerWaalsContact O-CD2 3.24Å; V177-F181 WeakPolarHBondContact O-CD2 3.33Å; V177-F181 PolarHBondContact O-N 2.94Å; V177-F181 VanDerWaalsContact O-N 3.11Å; Q178-F181 PolarHBondContact O-N 2.7Å; F181-N183 PolarHBondContact O-N 3.11Å; F181-N184 WeakPolarHBondContact O-CB 3.21Å; F181-N184 PolarHBondContact O-N 3.4Å; F181-V187 HydrophobicContact CB-CB 4.01Å; F181-V187 HydrophobicContact CB-CG1 4.06Å; F181-V187 HydrophobicContact CD1-CB 4.17Å; F181-V187 HydrophobicContact CD1-CG1 4.34Å; F181-V187 HydrophobicContact CD1-CG2 3.87Å; F181-V187 HydrophobicContact CD2-CB 4.44Å; F181-V187 HydrophobicContact CD2-CG1 3.78Å; F181-V187 HydrophobicContact CE1-CG2 4.19Å; F181-V187 HydrophobicContact CE2-CG1 4.32Å; F181-V187 HydrophobicContact CG-CB 3.96Å; F181-V187 HydrophobicContact CG-CG1 3.8Å; F181-V187 HydrophobicContact CG-CG2 4.15Å
182Y76.3Confident85Confident170 Ų17044 Ų4467%0.66723%0.234SC*.THydrogen-bonded Turntrans-48.6-40.2-174.3-165.6-97.3000114.5Q178Q178-Y182 HydrophobicContact CG-CD2 4.26Å; Q178-Y182 WeakPolarHBondContact O-CA 3.39Å; Q178-Y182 VanDerWaalsContact O-CB 3.3Å; Q178-Y182 WeakPolarHBondContact O-CB 3.47Å; Q178-Y182 PolarHBondContact O-N 3.16Å
183N77.6Confident84.8Confident157 Ų15745 Ų4584%0.8424%0.239SC*.THydrogen-bonded Turntrans-102.820.7-179.4-65.2-49.9000113.4F181F181-N183 PolarHBondContact O-N 3.11Å
184N85.2Confident84.9Confident46 Ų4646.3 Ų46.325%0.24624%0.244CC..  trans-119.994.3-175-173.73.8000112F181 N186 V187F181-N184 WeakPolarHBondContact O-CB 3.21Å; F181-N184 PolarHBondContact O-N 3.4Å; N184-N186 PolarHBondContact O-N 3.06Å; N184-N186 WeakPolarHBondContact OD1-CB 3.43Å; N184-N186 PolarHBondContact OD1-N 3.48Å; N184-V187 PolarHBondContact O-N 2.81Å
185S88.8Confident84.7Confident106 Ų10647.1 Ų47.174%0.74125%0.247SC*.THydrogen-bonded Turntrans-62-11.4179.454.30000115.3V187S185-V187 VanDerWaalsContact C-N 3.27Å
186N90.3Very high84.4Confident75 Ų7549.5 Ų49.540%0.40126%0.258SS..THydrogen-bonded Turntrans-77.9-10.5171.7-65.8-40.1000113.1L156 K162 K163 I164 N184L156-N186 HydrophobicContact CD2-CB 4.31Å; K162-N186 VanDerWaalsContact O-CB 3.23Å; K162-N186 WeakPolarHBondContact O-CB 3.24Å; K162-N186 PolarHBondContact O-OD1 3.2Å; K163-N186 CarbonylContact C-O 3.56Å; K163-N186 WeakPolarHBondContact CA-O 3.4Å; I164-N186 PolarHBondContact N-O 2.69Å; N184-N186 PolarHBondContact O-N 3.06Å; N184-N186 WeakPolarHBondContact OD1-CB 3.43Å; N184-N186 PolarHBondContact OD1-N 3.48Å
187V91Very high83.7Confident10 Ų1051.8 Ų51.86%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-127109.3179.7-172.30000110L156 I164 I166 F181 N184 S185L156-V187 HydrophobicContact CD1-CG2 3.78Å; I164-V187 HydrophobicContact CB-CG1 4.38Å; I164-V187 HydrophobicContact CB-CG2 4.33Å; I164-V187 HydrophobicContact CG2-CG1 4.46Å; I164-V187 CarbonylContact O-C 3.56Å; I164-V187 WeakPolarHBondContact O-CA 3.41Å; I166-V187 HydrophobicContact CD1-CG1 3.73Å; I166-V187 HydrophobicContact CG1-CG1 4.11Å; F181-V187 HydrophobicContact CB-CB 4.01Å; F181-V187 HydrophobicContact CB-CG1 4.06Å; F181-V187 HydrophobicContact CD1-CB 4.17Å; F181-V187 HydrophobicContact CD1-CG1 4.34Å; F181-V187 HydrophobicContact CD1-CG2 3.87Å; F181-V187 HydrophobicContact CD2-CB 4.44Å; F181-V187 HydrophobicContact CD2-CG1 3.78Å; F181-V187 HydrophobicContact CE1-CG2 4.19Å; F181-V187 HydrophobicContact CE2-CG1 4.32Å; F181-V187 HydrophobicContact CG-CB 3.96Å; F181-V187 HydrophobicContact CG-CG1 3.8Å; F181-V187 HydrophobicContact CG-CG2 4.15Å; N184-V187 PolarHBondContact O-N 2.81Å; S185-V187 VanDerWaalsContact C-N 3.27Å
188L90Very high83.3Confident28 Ų2852.2 Ų52.215%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-90.1114.4171.5174.558.9000109.2I164 L165 I166 V190 I240 F244 W346I164-L188 PolarHBondContact O-N 3.36Å; L165-L188 CarbonylContact C-O 3.44Å; L165-L188 WeakPolarHBondContact CA-O 3.25Å; L165-L188 HydrophobicContact CD1-CB 4.12Å; L165-L188 HydrophobicContact CD1-CD2 3.75Å; L165-L188 HydrophobicContact CD1-CG 3.78Å; I166-L188 PolarHBondContact N-O 3.3Å; L188-V190 HydrophobicContact CD1-CG2 4.13Å; L188-V190 HydrophobicContact CD2-CG2 4.35Å; L188-V190 HydrophobicContact CG-CG2 3.98Å; L188-I240 HydrophobicContact CD2-CG2 3.56Å; L188-F244 HydrophobicContact CB-CD1 3.89Å; L188-F244 HydrophobicContact CB-CD2 4.39Å; L188-F244 HydrophobicContact CB-CE1 3.65Å; L188-F244 HydrophobicContact CB-CE2 4.17Å; L188-F244 HydrophobicContact CB-CG 4.26Å; L188-F244 HydrophobicContact CB-CZ 3.79Å; L188-F244 HydrophobicContact CD2-CB 4.03Å; L188-F244 HydrophobicContact CD2-CD1 3.99Å; L188-F244 HydrophobicContact CD2-CD2 4.43Å; L188-F244 HydrophobicContact CD2-CG 3.9Å; L188-W346 HydrophobicContact CD1-CZ2 4.19Å; L188-W346 HydrophobicContact CD2-CH2 3.93Å; L188-W346 HydrophobicContact CD2-CZ2 4.13Å
189C89.3Confident83.5Confident35 Ų3553.8 Ų53.824%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-97.4132.2170.9-620000109.8
190V90.4Very high83.7Confident29 Ų2950.9 Ų50.918%0.17627%0.274CS..EExtended strand (participates in β ladder)trans-134.4124.1174-170.90000108.7L165 I166 I167 D168 L188 I237L165-V190 HydrophobicContact CD1-CG2 4.18Å; I166-V190 PolarHBondContact O-N 2.85Å; I167-V190 HydrophobicContact CD1-CB 3.93Å; I167-V190 HydrophobicContact CD1-CG2 4.21Å; D168-V190 PolarHBondContact N-O 3.46Å; L188-V190 HydrophobicContact CD1-CG2 4.13Å; L188-V190 HydrophobicContact CD2-CG2 4.35Å; L188-V190 HydrophobicContact CG-CG2 3.98Å; V190-I237 HydrophobicContact CG1-CD1 4.3Å; V190-I237 HydrophobicContact CG1-CG1 4.07Å
191S88.8Confident83.7Confident32 Ų3250 Ų5022%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-123.2132.9-179.51790000111.2D168 H193D168-S191 CarbonylContact O-C 3.55Å; D168-S191 VanDerWaalsContact O-CA 3.31Å; D168-S191 WeakPolarHBondContact O-CA 3.36Å; S191-H193 PolarHBondContact OG-ND1 3.29Å
192I90.8Very high83.6Confident16 Ų1650.1 Ų50.18%0.08227%0.267CS..  trans-106.7108.8166.6-53.7168.2000108D168 Y229 V232 F233 I237D168-I192 PolarHBondContact O-N 3.12Å; I192-Y229 HydrophobicContact CB-CE1 4.14Å; I192-Y229 HydrophobicContact CD1-CD1 4Å; I192-Y229 HydrophobicContact CD1-CE1 4.24Å; I192-Y229 HydrophobicContact CG2-CD1 4.25Å; I192-Y229 HydrophobicContact CG2-CE1 3.69Å; I192-V232 HydrophobicContact CD1-CB 4.23Å; I192-V232 HydrophobicContact CD1-CG1 3.77Å; I192-V232 HydrophobicContact CG1-CG1 3.88Å; I192-F233 HydrophobicContact CD1-CD2 4.01Å; I192-F233 HydrophobicContact CD1-CE2 3.67Å; I192-I237 HydrophobicContact CD1-CD1 3.61Å; I192-I237 HydrophobicContact CG1-CD1 4.04Å
193H87.1Confident83.7Confident40 Ų4048.8 Ų48.819%0.18526%0.262CS..  trans-133.8152.3-175.246.7-94.4000112.5V171 Y173 S191 H195 A207V171-H193 CarbonylContact O-C 3.51Å; V171-H193 WeakPolarHBondContact O-CA 3.46Å; Y173-H193 AromaticContact CD2-CE1 3.59Å; Y173-H193 AromaticContact CD2-ND1 3.76Å; S191-H193 PolarHBondContact OG-ND1 3.29Å; H193-H195 PolarHBondContact O-N 2.98Å; H193-A207 PolarHBondContact NE2-O 2.97Å; H193-A207 VanDerWaalsContact NE2-O 3.14Å
194R84.6Confident83.1Confident30 Ų3043.4 Ų43.411%0.11323%0.233CC..  trans-68.2125165.1-179.1173.5168.2-161.4-11.4107.7V171 Q196 F200 L263 G264 N265 M266V171-R194 HydrophobicContact CG2-CB 3.76Å; V171-R194 PolarHBondContact O-N 3.3Å; R194-Q196 HydrophobicContact CG-CG 4.31Å; R194-F200 HydrophobicContact CB-CD1 3.73Å; R194-F200 HydrophobicContact CB-CE1 3.82Å; R194-F200 HydrophobicContact CB-CG 4.31Å; R194-F200 HydrophobicContact CG-CB 4.19Å; R194-F200 HydrophobicContact CG-CD1 3.72Å; R194-F200 HydrophobicContact CG-CD2 4.19Å; R194-F200 HydrophobicContact CG-CE1 4.03Å; R194-F200 HydrophobicContact CG-CG 3.77Å; R194-F200 HydrophobicContact CG-CZ 4.42Å; R194-F200 WeakPolarHBondContact O-CD1 3.34Å; R194-L263 PolarHBondContact NH1-O 3.31Å; R194-G264 WeakPolarHBondContact CD-O 3.49Å; R194-G264 PolarHBondContact NH1-O 3.07Å; R194-N265 PolarHBondContact NH1-ND2 3.06Å; R194-M266 HydrophobicContact CB-CE 3.58Å; R194-M266 HydrophobicContact CG-CE 3.81Å
195H77.6Confident81.7Confident21 Ų2151.4 Ų51.410%0.09726%0.259CS..  trans-118.9-41.6-177.7177.9-129.6000112.7H193 Q197 G198 F200 A207 E208H193-H195 PolarHBondContact O-N 2.98Å; H195-Q197 PolarHBondContact ND1-N 3.15Å; H195-Q197 PolarHBondContact O-N 3.19Å; H195-Q197 VanDerWaalsContact O-N 3.09Å; H195-G198 PolarHBondContact CD2-N 3.25Å; H195-G198 PolarHBondContact CE1-N 3.25Å; H195-G198 PolarHBondContact NE2-N 3.38Å; H195-G198 PolarHBondContact O-N 3.07Å; H195-F200 PolarHBondContact O-N 3.31Å; H195-A207 PolarHBondContact CD2-O 2.82Å; H195-A207 PolarHBondContact CE1-O 3.31Å; H195-A207 PolarHBondContact ND1-O 2.92Å; H195-A207 PolarHBondContact NE2-O 2.89Å; H195-E208 IonicContact CE1-OE2 3.57Å; H195-E208 PolarHBondContact CE1-OE2 3Å; H195-E208 IonicContact NE2-OE2 3.48Å; H195-E208 PolarHBondContact NE2-OE2 3.47Å
196Q76.1Confident80.2Confident50 Ų5050.1 Ų50.123%0.23424%0.241CC..G310 helixtrans41.944.6-173.3-65.5179.4-82.400112.7R194 G198 T199 F200 F220R194-Q196 HydrophobicContact CG-CG 4.31Å; Q196-G198 VanDerWaalsContact C-N 3.3Å; Q196-G198 PolarHBondContact O-N 2.99Å; Q196-T199 WeakPolarHBondContact CB-OG1 3.4Å; Q196-T199 WeakPolarHBondContact O-CB 3.38Å; Q196-T199 PolarHBondContact O-N 3.24Å; Q196-T199 VanDerWaalsContact O-N 3.1Å; Q196-T199 PolarHBondContact O-OG1 2.9Å; Q196-F200 HydrophobicContact CB-CB 4.45Å; Q196-F220 PolarHBondContact NE2-O 3.19Å
197Q69.5Low78.3Confident47 Ų4746.8 Ų46.822%0.2222%0.224CC..G310 helixtrans60.336.7176.4-47.815937.600113.5H195 T199 R211 F220H195-Q197 PolarHBondContact ND1-N 3.15Å; H195-Q197 PolarHBondContact O-N 3.19Å; H195-Q197 VanDerWaalsContact O-N 3.09Å; Q197-T199 VanDerWaalsContact C-N 3.32Å; Q197-R211 PolarHBondContact O-NH1 2.94Å; Q197-R211 PolarHBondContact O-NH2 2.91Å; Q197-F220 VanDerWaalsContact NE2-CZ 3.26Å
198G72.3Confident76.4Confident13 Ų1348 Ų4813%0.13423%0.23CC..G310 helixtrans808.2-178.400000114.3H195 Q196 Y203H195-G198 PolarHBondContact CD2-N 3.25Å; H195-G198 PolarHBondContact CE1-N 3.25Å; H195-G198 PolarHBondContact NE2-N 3.38Å; H195-G198 PolarHBondContact O-N 3.07Å; Q196-G198 VanDerWaalsContact C-N 3.3Å; Q196-G198 PolarHBondContact O-N 2.99Å; G198-Y203 WeakPolarHBondContact O-CA 3.42Å; G198-Y203 WeakPolarHBondContact O-CD1 3.36Å
199T80.2Confident74.4Confident88 Ų8851.4 Ų51.454%0.5424%0.24SC..THydrogen-bonded Turntrans-88.4-8.2173.165.10000113.5Q196 Q197 Y203Q196-T199 WeakPolarHBondContact CB-OG1 3.4Å; Q196-T199 WeakPolarHBondContact O-CB 3.38Å; Q196-T199 PolarHBondContact O-N 3.24Å; Q196-T199 VanDerWaalsContact O-N 3.1Å; Q196-T199 PolarHBondContact O-OG1 2.9Å; Q197-T199 VanDerWaalsContact C-N 3.32Å; T199-Y203 WeakPolarHBondContact O-CE1 3.35Å
200F82.4Confident71.9Confident20 Ų2054 Ų549%0.08825%0.252CS..SBendtrans-98.4142.6168.1-164.7-112.6000110.3V171 Y172 R194 H195 Q196 Y203V171-F200 HydrophobicContact CG1-CE1 4.44Å; Y172-F200 HydrophobicContact CD1-CD1 4.08Å; Y172-F200 AromaticContact CD1-CE1 3.34Å; Y172-F200 HydrophobicContact CD1-CE1 3.34Å; Y172-F200 AromaticContact CD1-CZ 3.95Å; Y172-F200 HydrophobicContact CD1-CZ 3.95Å; Y172-F200 HydrophobicContact CE1-CD1 4.12Å; Y172-F200 AromaticContact CE1-CE1 3.21Å; Y172-F200 HydrophobicContact CE1-CE1 3.21Å; Y172-F200 HydrophobicContact CE1-CE2 4.27Å; Y172-F200 AromaticContact CE1-CZ 3.3Å; Y172-F200 HydrophobicContact CE1-CZ 3.3Å; Y172-F200 HydrophobicContact CG-CE1 4.21Å; Y172-F200 AromaticContact CZ-CE1 3.95Å; Y172-F200 AromaticContact CZ-CZ 3.67Å; R194-F200 HydrophobicContact CB-CD1 3.73Å; R194-F200 HydrophobicContact CB-CE1 3.82Å; R194-F200 HydrophobicContact CB-CG 4.31Å; R194-F200 HydrophobicContact CG-CB 4.19Å; R194-F200 HydrophobicContact CG-CD1 3.72Å; R194-F200 HydrophobicContact CG-CD2 4.19Å; R194-F200 HydrophobicContact CG-CE1 4.03Å; R194-F200 HydrophobicContact CG-CG 3.77Å; R194-F200 HydrophobicContact CG-CZ 4.42Å; R194-F200 WeakPolarHBondContact O-CD1 3.34Å; H195-F200 PolarHBondContact O-N 3.31Å; Q196-F200 HydrophobicContact CB-CB 4.45Å; F200-Y203 WeakPolarHBondContact O-CD1 3.37Å; F200-Y203 PolarHBondContact O-N 3.3Å
201W85.3Confident69.6Low27 Ų2757.4 Ų57.410%0.10226%0.262CS..THydrogen-bonded Turntrans-56.3138.2177.3-173.497.1000109.8D89 H133 N140 G141 Y172 Y203D89-W201 PolarHBondContact OD1-NE1 3.41Å; D89-W201 PolarHBondContact OD2-NE1 3Å; H133-W201 HydrophobicContact CB-CH2 4.28Å; H133-W201 AromaticContact CD2-CH2 3.65Å; H133-W201 AromaticContact CD2-CZ3 3.68Å; H133-W201 AromaticContact CE1-CZ3 3.54Å; H133-W201 AromaticContact CG-CH2 3.71Å; H133-W201 AromaticContact CG-CZ3 3.92Å; H133-W201 AromaticContact ND1-CH2 3.97Å; H133-W201 AromaticContact ND1-CZ3 3.8Å; H133-W201 AromaticContact NE2-CH2 3.91Å; H133-W201 AromaticContact NE2-CZ3 3.42Å; H133-W201 WeakPolarHBondContact NE2-CZ3 3.28Å; N140-W201 VanDerWaalsContact OD1-CH2 3.24Å; N140-W201 WeakPolarHBondContact OD1-CH2 3.49Å; N140-W201 WeakPolarHBondContact OD1-CZ2 3.35Å; G141-W201 VanDerWaalsContact CA-CH2 3.5Å; Y172-W201 AromaticContact CD1-CE3 3.56Å; Y172-W201 HydrophobicContact CD1-CE3 3.56Å; Y172-W201 HydrophobicContact CD1-CZ3 4.16Å; Y172-W201 WeakPolarHBondContact CD1-O 3.42Å; Y172-W201 HydrophobicContact CE1-CB 4.34Å; Y172-W201 AromaticContact CE1-CE3 3.95Å; Y172-W201 HydrophobicContact CE1-CE3 3.95Å; Y172-W201 HydrophobicContact CG-CE3 4.28Å; Y172-W201 HydrophobicContact CG-CZ3 4.47Å; W201-Y203 HydrophobicContact CB-CE1 4.17Å; W201-Y203 HydrophobicContact CB-CE2 4.04Å; W201-Y203 AromaticContact CD1-CE2 3.52Å; W201-Y203 HydrophobicContact CG-CE2 4.12Å; W201-Y203 VanDerWaalsContact N-CE1 3.35Å
202P82.2Confident67.1Low12 Ų1259.9 Ų59.98%0.07828%0.275CS..THydrogen-bonded Turncis-88.517.813.535.7-37.1000115.8Y173 M204Y173-P202 HydrophobicContact CD1-CG 4.12Å; P202-M204 HydrophobicContact CB-CE 4.16Å; P202-M204 HydrophobicContact CB-CG 4.01Å; P202-M204 HydrophobicContact CB-SD 4.25Å; P202-M204 HydrophobicContact CG-CB 4.39Å; P202-M204 HydrophobicContact CG-CG 3.92Å; P202-M204 HydrophobicContact CG-SD 4.03Å; P202-M204 WeakPolarHBondContact O-CG 3.47Å; P202-M204 PolarHBondContact O-N 3.19Å
203Y78.4Confident64.2Low142 Ų14260.2 Ų60.256%0.55728%0.283SS*.  trans60.717.1177.4-38.3-67.3000115.1G198 T199 F200 W201G198-Y203 WeakPolarHBondContact O-CA 3.42Å; G198-Y203 WeakPolarHBondContact O-CD1 3.36Å; T199-Y203 WeakPolarHBondContact O-CE1 3.35Å; F200-Y203 WeakPolarHBondContact O-CD1 3.37Å; F200-Y203 PolarHBondContact O-N 3.3Å; W201-Y203 HydrophobicContact CB-CE1 4.17Å; W201-Y203 HydrophobicContact CB-CE2 4.04Å; W201-Y203 AromaticContact CD1-CE2 3.52Å; W201-Y203 HydrophobicContact CG-CE2 4.12Å; W201-Y203 VanDerWaalsContact N-CE1 3.35Å
204M63.8Low61.9Low45 Ų4561.8 Ų61.822%0.22230%0.298CS..  trans-84.3131.6-173.6-64-17517400112.1Y173 Q175 P202 E206 A207Y173-M204 HydrophobicContact CE1-SD 4.45Å; Q175-M204 HydrophobicContact CB-SD 3.93Å; Q175-M204 HydrophobicContact CG-CE 4.04Å; Q175-M204 HydrophobicContact CG-SD 3.86Å; P202-M204 HydrophobicContact CB-CE 4.16Å; P202-M204 HydrophobicContact CB-CG 4.01Å; P202-M204 HydrophobicContact CB-SD 4.25Å; P202-M204 HydrophobicContact CG-CB 4.39Å; P202-M204 HydrophobicContact CG-CG 3.92Å; P202-M204 HydrophobicContact CG-SD 4.03Å; P202-M204 WeakPolarHBondContact O-CG 3.47Å; P202-M204 PolarHBondContact O-N 3.19Å; M204-E206 HydrophobicContact CB-CG 3.72Å; M204-E206 PolarHBondContact O-N 3.08Å; M204-E206 HydrophobicContact SD-CG 4.46Å; M204-A207 WeakPolarHBondContact O-CB 3.32Å; M204-A207 PolarHBondContact O-N 3.02Å; M204-A207 VanDerWaalsContact O-N 3.08Å
205R57.8Low59.8Low214 Ų21469.6 Ų69.681%0.80833%0.333SS*.THydrogen-bonded Turntrans-64-1.5174.8-66.8-173.9-179.2-176.30.5115.3E208R205-E208 WeakPolarHBondContact CA-OE1 3.4Å; R205-E208 WeakPolarHBondContact O-CB 3.3Å
206E56.2Low57.4Low78 Ų7878.6 Ų78.636%0.36438%0.376SS..THydrogen-bonded Turntrans-101.6-11.8177.146.3165.5-105.300112.9Y173 H179 M204 E208Y173-E206 HydrophobicContact CE1-CG 4.01Å; Y173-E206 VanDerWaalsContact CE1-OE1 3.24Å; Y173-E206 WeakPolarHBondContact CE1-OE1 3.5Å; Y173-E206 PolarHBondContact OH-OE1 3.25Å; H179-E206 IonicContact CD2-OE1 2.9Å; H179-E206 PolarHBondContact CD2-OE1 3.1Å; H179-E206 IonicContact CD2-OE2 3.32Å; H179-E206 IonicContact CE1-OE1 3.73Å; H179-E206 IonicContact CE1-OE2 3.54Å; H179-E206 IonicContact NE2-OE1 2.87Å; H179-E206 PolarHBondContact NE2-OE1 3.48Å; H179-E206 IonicContact NE2-OE2 3.11Å; H179-E206 PolarHBondContact NE2-OE2 3.35Å; M204-E206 HydrophobicContact CB-CG 3.72Å; M204-E206 PolarHBondContact O-N 3.08Å; M204-E206 HydrophobicContact SD-CG 4.46Å; E206-E208 PolarHBondContact O-N 2.66Å; E206-E208 VanDerWaalsContact O-N 3.07Å
207A50.1Low55.4Low5 Ų578.2 Ų78.24%0.04139%0.385CS..SBendtrans-76.521.8168.300000112.2Y173 H193 H195 M204Y173-A207 HydrophobicContact CD1-CB 3.54Å; Y173-A207 HydrophobicContact CD2-CB 4.33Å; Y173-A207 HydrophobicContact CE1-CB 4.1Å; Y173-A207 HydrophobicContact CG-CB 3.66Å; H193-A207 PolarHBondContact NE2-O 2.97Å; H193-A207 VanDerWaalsContact NE2-O 3.14Å; H195-A207 PolarHBondContact CD2-O 2.82Å; H195-A207 PolarHBondContact CE1-O 3.31Å; H195-A207 PolarHBondContact ND1-O 2.92Å; H195-A207 PolarHBondContact NE2-O 2.89Å; M204-A207 WeakPolarHBondContact O-CB 3.32Å; M204-A207 PolarHBondContact O-N 3.02Å; M204-A207 VanDerWaalsContact O-N 3.08Å
208E52.3Low53.8Low37 Ų3783.3 Ų83.317%0.17341%0.408CS..  trans-125.194.5-147-172.1132.983.900110H195 R205 E206 N210 R211H195-E208 IonicContact CE1-OE2 3.57Å; H195-E208 PolarHBondContact CE1-OE2 3Å; H195-E208 IonicContact NE2-OE2 3.48Å; H195-E208 PolarHBondContact NE2-OE2 3.47Å; R205-E208 WeakPolarHBondContact CA-OE1 3.4Å; R205-E208 WeakPolarHBondContact O-CB 3.3Å; E206-E208 PolarHBondContact O-N 2.66Å; E206-E208 VanDerWaalsContact O-N 3.07Å; E208-N210 PolarHBondContact O-N 2.81Å; E208-R211 VanDerWaalsContact CD-CZ 3.44Å; E208-R211 HydrophobicContact CG-CG 3.69Å; E208-R211 IonicContact OE1-CZ 2.69Å; E208-R211 VanDerWaalsContact OE1-CZ 3.24Å; E208-R211 IonicContact OE1-NE 3.71Å; E208-R211 PolarHBondContact OE1-NE 2.87Å; E208-R211 IonicContact OE1-NH2 3.29Å; E208-R211 PolarHBondContact OE1-NH2 3.49Å; E208-R211 WeakPolarHBondContact OE2-CG 3.41Å; E208-R211 IonicContact OE2-CZ 3.74Å; E208-R211 IonicContact OE2-NE 2.69Å; E208-R211 PolarHBondContact OE2-NE 3Å; E208-R211 IonicContact OE2-NH1 3.54Å; E208-R211 IonicContact OE2-NH2 3.09Å; E208-R211 PolarHBondContact OE2-NH2 3.43Å
209W46.9Very low51.9Low99 Ų9985.4 Ų85.438%0.37543%0.43SS..SBendtrans-66.6-21.7-172.565.7-100.2000114.2A334 L337 V338W209-A334 HydrophobicContact CD2-CB 4.47Å; W209-A334 HydrophobicContact CZ2-CB 4.12Å; W209-L337 HydrophobicContact CE3-CB 3.76Å; W209-L337 HydrophobicContact CE3-CD1 4.5Å; W209-L337 HydrophobicContact CH2-CB 4.24Å; W209-L337 HydrophobicContact CH2-CD1 3.48Å; W209-L337 VanDerWaalsContact CH2-CD1 3.48Å; W209-L337 HydrophobicContact CH2-CG 4.42Å; W209-L337 HydrophobicContact CZ3-CB 3.31Å; W209-L337 HydrophobicContact CZ3-CD1 3.29Å; W209-L337 HydrophobicContact CZ3-CG 3.8Å; W209-V338 HydrophobicContact CB-CG2 4.2Å
210N38.1Very low49.4Very low88 Ų8884.7 Ų84.747%0.47142%0.419SS..SBendtrans168.611.4147.159.128000117.4E208E208-N210 PolarHBondContact O-N 2.81Å
211R40.4Very low46.9Very low102 Ų10287.7 Ų87.739%0.38544%0.436SS..  trans64172.5-177-58.7-167.8175.2-94.2-19.3114.4Q197 E208Q197-R211 PolarHBondContact O-NH1 2.94Å; Q197-R211 PolarHBondContact O-NH2 2.91Å; E208-R211 VanDerWaalsContact CD-CZ 3.44Å; E208-R211 HydrophobicContact CG-CG 3.69Å; E208-R211 IonicContact OE1-CZ 2.69Å; E208-R211 VanDerWaalsContact OE1-CZ 3.24Å; E208-R211 IonicContact OE1-NE 3.71Å; E208-R211 PolarHBondContact OE1-NE 2.87Å; E208-R211 IonicContact OE1-NH2 3.29Å; E208-R211 PolarHBondContact OE1-NH2 3.49Å; E208-R211 WeakPolarHBondContact OE2-CG 3.41Å; E208-R211 IonicContact OE2-CZ 3.74Å; E208-R211 IonicContact OE2-NE 2.69Å; E208-R211 PolarHBondContact OE2-NE 3Å; E208-R211 IonicContact OE2-NH1 3.54Å; E208-R211 IonicContact OE2-NH2 3.09Å; E208-R211 PolarHBondContact OE2-NH2 3.43Å
212T36.2Very low44.4Very low84 Ų8488.6 Ų88.652%0.51545%0.445SS..  cis-130.9169-1.135.20000110.7
213G30.9Very low42.4Very low23 Ų2390 Ų9024%0.23745%0.452CS..  trans-100.3170.7152.600000111.1
214S38.1Very low41.7Very low73 Ų7384.6 Ų84.651%0.5143%0.433SS..  trans-146.1159.7-177.348.30000113.4
215F41.3Very low42Very low193 Ų19384.7 Ų84.785%0.84643%0.434SS*.THydrogen-bonded Turntrans53.9-172.1-163-58.3-76.3000112.6G217F215-G217 VanDerWaalsContact C-N 3.25Å; F215-G217 PolarHBondContact O-N 2.91Å; F215-G217 VanDerWaalsContact O-N 3.12Å
216E26.9Very low43.1Very low211 Ų21175.1 Ų75.199%0.98640%0.399SS*.THydrogen-bonded Turntrans-74.73.1-164.9-65-168.9153.400116.1
217G34.2Very low44.3Very low41 Ų4172.5 Ų72.542%0.42339%0.386SS..THydrogen-bonded Turntrans174.115.2178.600000119.8F215 G219 F220F215-G217 VanDerWaalsContact C-N 3.25Å; F215-G217 PolarHBondContact O-N 2.91Å; F215-G217 VanDerWaalsContact O-N 3.12Å; G217-G219 PolarHBondContact O-N 2.95Å; G217-F220 PolarHBondContact O-N 2.9Å
218E36Very low45.9Very low154 Ų15472.3 Ų72.372%0.7238%0.384SS*.THydrogen-bonded Turntrans-71.2110.2-174.5-156167-159.700112.2F220E218-F220 WeakPolarHBondContact O-CD2 3.43Å
219G31.6Very low47.8Very low57 Ų5770.6 Ų70.659%0.58838%0.376SS*.THydrogen-bonded Turntrans92.17.8179.600000116.8G217 N221G217-G219 PolarHBondContact O-N 2.95Å; G219-N221 VanDerWaalsContact C-N 3.34Å; G219-N221 PolarHBondContact O-N 2.86Å; G219-N221 VanDerWaalsContact O-N 3.15Å
220F27.9Very low49.9Very low73 Ų7366 Ų6632%0.3236%0.359SS..  trans-77.32.1-161.5-86.5-105.2000118.4Q196 Q197 G217 E218Q196-F220 PolarHBondContact NE2-O 3.19Å; Q197-F220 VanDerWaalsContact NE2-CZ 3.26Å; G217-F220 PolarHBondContact O-N 2.9Å; E218-F220 WeakPolarHBondContact O-CD2 3.43Å
221N31.3Very low52.2Low83 Ų8362 Ų6244%0.44434%0.338SS..  trans-147.785.7163-169.166.5000112.5G219 N223G219-N221 VanDerWaalsContact C-N 3.34Å; G219-N221 PolarHBondContact O-N 2.86Å; G219-N221 VanDerWaalsContact O-N 3.15Å; N221-N223 PolarHBondContact ND2-OD1 3.27Å; N221-N223 PolarHBondContact O-N 3.06Å
222V32.3Very low54.6Low47 Ų4758.5 Ų58.529%0.28533%0.328SS..  trans-88.2101.6169-173.40000109L224 T328V222-L224 HydrophobicContact CG1-CD2 3.89Å; V222-L224 PolarHBondContact O-N 3.4Å; V222-T328 HydrophobicContact CG1-CG2 3.67Å
223N40.6Very low57.2Low41 Ų4154.5 Ų54.522%0.21930%0.304CS..  trans-7094.7169.2-58.5-44.8000108.4N221 N265 R267N221-N223 PolarHBondContact ND2-OD1 3.27Å; N221-N223 PolarHBondContact O-N 3.06Å; N223-N265 PolarHBondContact OD1-O 3.42Å; N223-R267 HydrophobicContact CB-CB 4.36Å; N223-R267 HydrophobicContact CB-CG 3.8Å; N223-R267 PolarHBondContact ND2-NE 3.43Å; N223-R267 PolarHBondContact ND2-NH2 2.82Å
224L62.4Low60Low29 Ų2959.2 Ų59.215%0.15231%0.314CS..  trans-61.5136.3175.6-55.3-179.6000110.1V222 D228 Y229 M266 R267 V268 V331V222-L224 HydrophobicContact CG1-CD2 3.89Å; V222-L224 PolarHBondContact O-N 3.4Å; L224-D228 HydrophobicContact CB-CB 4.26Å; L224-D228 HydrophobicContact CD2-CB 4.09Å; L224-Y229 HydrophobicContact CB-CD2 4Å; L224-Y229 HydrophobicContact CB-CE2 3.7Å; L224-Y229 HydrophobicContact CD1-CE2 3.97Å; L224-M266 HydrophobicContact CB-CE 4.38Å; L224-M266 HydrophobicContact CB-SD 3.56Å; L224-M266 VanDerWaalsContact CB-SD 3.56Å; L224-M266 HydrophobicContact CD1-CE 3.96Å; L224-M266 HydrophobicContact CD1-SD 4.24Å; L224-M266 HydrophobicContact CG-CE 3.95Å; L224-M266 HydrophobicContact CG-SD 3.74Å; L224-M266 PolarHBondContact N-SD 3.22Å; L224-R267 WeakPolarHBondContact O-CA 3.49Å; L224-R267 PolarHBondContact O-N 2.62Å; L224-V268 PolarHBondContact O-N 3.42Å; L224-V331 HydrophobicContact CD2-CG2 3.25Å
225D70Confident62.3Low46 Ų4659.5 Ų59.525%0.24631%0.308CS..  trans-123.6-165.6-179.461.515.4000110.8K227 D228 Y229 R267D225-K227 PolarHBondContact O-N 3.44Å; D225-K227 VanDerWaalsContact OD1-CG 3.32Å; D225-K227 WeakPolarHBondContact OD1-CG 3.33Å; D225-K227 PolarHBondContact OD1-N 3.08Å; D225-K227 IonicContact OD1-NZ 2.69Å; D225-K227 PolarHBondContact OD1-NZ 2.93Å; D225-K227 IonicContact OD2-NZ 3.96Å; D225-K227 PolarHBondContact OD2-NZ 3.09Å; D225-D228 PolarHBondContact O-N 3.34Å; D225-Y229 PolarHBondContact O-N 2.83Å; D225-Y229 VanDerWaalsContact O-N 3.13Å; D225-R267 HydrophobicContact CB-CB 3.92Å
226D81.6Confident64.4Low14 Ų1450.8 Ų50.88%0.07527%0.27CS..Hα-helixtrans-59.3-46.4-172.9-67.6-1.5000113D228 L230 V268 S269 A272D226-D228 PolarHBondContact O-N 3.12Å; D226-L230 WeakPolarHBondContact O-CB 3.47Å; D226-L230 WeakPolarHBondContact O-CD1 3.5Å; D226-L230 WeakPolarHBondContact O-CG 3.47Å; D226-L230 PolarHBondContact O-N 3.5Å; D226-V268 WeakPolarHBondContact OD1-CA 3.31Å; D226-S269 VanDerWaalsContact CG-OG 3.3Å; D226-S269 PolarHBondContact OD1-N 3.11Å; D226-S269 PolarHBondContact OD1-OG 3.32Å; D226-S269 VanDerWaalsContact OD2-CB 3.24Å; D226-S269 WeakPolarHBondContact OD2-CB 3.49Å; D226-S269 PolarHBondContact OD2-OG 3.3Å; D226-A272 HydrophobicContact CB-CB 4.21Å; D226-A272 VanDerWaalsContact OD1-CB 3.3Å; D226-A272 WeakPolarHBondContact OD1-CB 3.47Å
227K81.9Confident67.5Low22 Ų2240.9 Ų40.910%0.09622%0.223CC..Hα-helixtrans-63.2-35.2-178.283.2-157.7178.3-62.30111.1D225 A231 V325 P326 T328D225-K227 PolarHBondContact O-N 3.44Å; D225-K227 VanDerWaalsContact OD1-CG 3.32Å; D225-K227 WeakPolarHBondContact OD1-CG 3.33Å; D225-K227 PolarHBondContact OD1-N 3.08Å; D225-K227 IonicContact OD1-NZ 2.69Å; D225-K227 PolarHBondContact OD1-NZ 2.93Å; D225-K227 IonicContact OD2-NZ 3.96Å; D225-K227 PolarHBondContact OD2-NZ 3.09Å; K227-A231 WeakPolarHBondContact O-CB 3.23Å; K227-A231 PolarHBondContact O-N 3.09Å; K227-V325 HydrophobicContact CD-CG2 3.38Å; K227-P326 WeakPolarHBondContact CD-O 3.42Å; K227-P326 WeakPolarHBondContact CE-O 3.43Å; K227-T328 PolarHBondContact NZ-OG1 3.08Å
228D84.3Confident70.2Confident1 Ų140.3 Ų40.31%0.00521%0.212CC..Hα-helixtrans-73.9-47.1-175.1-69.9-21.9000110.6L224 D225 D226 A231 V232 T328 V331L224-D228 HydrophobicContact CB-CB 4.26Å; L224-D228 HydrophobicContact CD2-CB 4.09Å; D225-D228 PolarHBondContact O-N 3.34Å; D226-D228 PolarHBondContact O-N 3.12Å; D228-A231 PolarHBondContact O-N 3.09Å; D228-V232 PolarHBondContact O-N 3.29Å; D228-T328 VanDerWaalsContact CG-OG1 3.25Å; D228-T328 WeakPolarHBondContact OD1-CB 3.29Å; D228-T328 PolarHBondContact OD1-N 2.94Å; D228-T328 PolarHBondContact OD1-OG1 3.04Å; D228-T328 VanDerWaalsContact OD1-OG1 3.05Å; D228-T328 WeakPolarHBondContact OD2-CB 3.45Å; D228-T328 PolarHBondContact OD2-OG1 2.86Å; D228-V331 HydrophobicContact CB-CB 4.49Å; D228-V331 HydrophobicContact CB-CG1 4.15Å; D228-V331 HydrophobicContact CB-CG2 3.95Å
229Y91Very high72.8Confident1 Ų134.7 Ų34.70%0.00419%0.188CC..Hα-helixtrans-64.3-44.2172-87.8-108.2000111.6I192 L224 D225 A231 V232 F233 A257 V268 F276I192-Y229 HydrophobicContact CB-CE1 4.14Å; I192-Y229 HydrophobicContact CD1-CD1 4Å; I192-Y229 HydrophobicContact CD1-CE1 4.24Å; I192-Y229 HydrophobicContact CG2-CD1 4.25Å; I192-Y229 HydrophobicContact CG2-CE1 3.69Å; L224-Y229 HydrophobicContact CB-CD2 4Å; L224-Y229 HydrophobicContact CB-CE2 3.7Å; L224-Y229 HydrophobicContact CD1-CE2 3.97Å; D225-Y229 PolarHBondContact O-N 2.83Å; D225-Y229 VanDerWaalsContact O-N 3.13Å; Y229-A231 VanDerWaalsContact C-N 3.25Å; Y229-A231 PolarHBondContact O-N 3.26Å; Y229-V232 PolarHBondContact O-N 3.21Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; Y229-F233 WeakPolarHBondContact O-CD2 3.47Å; Y229-F233 PolarHBondContact O-N 2.58Å; Y229-A257 HydrophobicContact CE1-CB 4.42Å; Y229-A257 VanDerWaalsContact OH-CB 3.32Å; Y229-A257 WeakPolarHBondContact OH-CB 3.24Å; Y229-V268 HydrophobicContact CD2-CG2 3.38Å; Y229-V268 HydrophobicContact CE2-CG2 3.41Å; Y229-V268 VanDerWaalsContact CE2-CG2 3.41Å; Y229-V268 HydrophobicContact CG-CG2 4Å; Y229-F276 AromaticContact CD1-CE2 3.89Å; Y229-F276 HydrophobicContact CD1-CE2 3.89Å; Y229-F276 AromaticContact CD1-CZ 3.93Å; Y229-F276 HydrophobicContact CD1-CZ 3.93Å; Y229-F276 HydrophobicContact CG-CE2 4.29Å; Y229-F276 AromaticContact CG-CZ 3.88Å; Y229-F276 HydrophobicContact CG-CZ 3.88Å
230L90.4Very high75.4Confident2 Ų232.3 Ų32.31%0.0116%0.162CC..Hα-helixtrans-58.3-37.4177.1-75172.2000112.1D226 F233 R234 F276 M279 L320 I323D226-L230 WeakPolarHBondContact O-CB 3.47Å; D226-L230 WeakPolarHBondContact O-CD1 3.5Å; D226-L230 WeakPolarHBondContact O-CG 3.47Å; D226-L230 PolarHBondContact O-N 3.5Å; L230-F233 PolarHBondContact O-N 3.39Å; L230-R234 WeakPolarHBondContact O-CB 3.47Å; L230-R234 WeakPolarHBondContact O-CD 3.41Å; L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 2.77Å; L230-F276 HydrophobicContact CD2-CD1 4.31Å; L230-F276 HydrophobicContact CD2-CE1 4.12Å; L230-F276 HydrophobicContact CG-CE1 4.29Å; L230-M279 HydrophobicContact CD2-CE 3.66Å; L230-M279 HydrophobicContact CD2-SD 4.45Å; L230-L320 HydrophobicContact CD1-CD1 3.8Å; L230-I323 HydrophobicContact CD1-CB 4.33Å; L230-I323 HydrophobicContact CD1-CG2 3.63Å
231A87.8Confident78.5Confident4 Ų428.9 Ų28.93%0.03315%0.147CC..Hα-helixtrans-63.3-4817500000111.6K227 D228 Y229 F233 R234 H235 V327 I335K227-A231 WeakPolarHBondContact O-CB 3.23Å; K227-A231 PolarHBondContact O-N 3.09Å; D228-A231 PolarHBondContact O-N 3.09Å; Y229-A231 VanDerWaalsContact C-N 3.25Å; Y229-A231 PolarHBondContact O-N 3.26Å; A231-F233 VanDerWaalsContact C-N 3.3Å; A231-F233 PolarHBondContact O-N 3.3Å; A231-R234 PolarHBondContact O-N 2.7Å; A231-H235 WeakPolarHBondContact O-CB 3.42Å; A231-H235 PolarHBondContact O-CD2 3.47Å; A231-H235 PolarHBondContact O-N 3.06Å; A231-V327 HydrophobicContact CB-CB 4.39Å; A231-V327 HydrophobicContact CB-CG1 3.79Å; A231-V327 HydrophobicContact CB-CG2 3.64Å; A231-I335 HydrophobicContact CB-CD1 3.8Å
232V90.5Very high81.4Confident30 Ų3029.8 Ų29.818%0.18215%0.152CC..Hα-helixtrans-61.2-40.8177.1178.80000111.1I192 D228 Y229 I236 I237 V331 I335I192-V232 HydrophobicContact CD1-CB 4.23Å; I192-V232 HydrophobicContact CD1-CG1 3.77Å; I192-V232 HydrophobicContact CG1-CG1 3.88Å; D228-V232 PolarHBondContact O-N 3.29Å; Y229-V232 PolarHBondContact O-N 3.21Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; V232-I236 HydrophobicContact CG1-CB 4.49Å; V232-I236 WeakPolarHBondContact O-CB 3.24Å; V232-I236 PolarHBondContact O-N 2.77Å; V232-I237 HydrophobicContact CG1-CD1 4.49Å; V232-I237 HydrophobicContact CG1-CG1 4.42Å; V232-I237 PolarHBondContact O-N 3.25Å; V232-I237 VanDerWaalsContact O-N 3.12Å; V232-V331 HydrophobicContact CG2-CG1 4.02Å; V232-I335 HydrophobicContact CG2-CD1 4.12Å; V232-I335 HydrophobicContact CG2-CG1 4.05Å
233F91Very high84.3Confident0 Ų030.4 Ų30.40%015%0.151CC..Iπ-helixtrans-61.1-48.1174.5-93.9-90.8000112.8I167 W169 I192 Y229 L230 A231 I237 V238 F276 M279 L280I167-F233 HydrophobicContact CG2-CZ 4.25Å; W169-F233 HydrophobicContact CE3-CZ 4.01Å; I192-F233 HydrophobicContact CD1-CD2 4.01Å; I192-F233 HydrophobicContact CD1-CE2 3.67Å; Y229-F233 WeakPolarHBondContact O-CD2 3.47Å; Y229-F233 PolarHBondContact O-N 2.58Å; L230-F233 PolarHBondContact O-N 3.39Å; A231-F233 VanDerWaalsContact C-N 3.3Å; A231-F233 PolarHBondContact O-N 3.3Å; F233-I237 HydrophobicContact CD1-CB 4.29Å; F233-I237 HydrophobicContact CD1-CD1 4.19Å; F233-I237 HydrophobicContact CD1-CG2 4.31Å; F233-I237 HydrophobicContact CD2-CD1 4.16Å; F233-I237 HydrophobicContact CE1-CD1 4.04Å; F233-I237 HydrophobicContact CE1-CG2 4.31Å; F233-I237 HydrophobicContact CE2-CD1 4.01Å; F233-I237 HydrophobicContact CG-CD1 4.23Å; F233-I237 HydrophobicContact CZ-CD1 3.93Å; F233-I237 PolarHBondContact O-N 2.85Å; F233-V238 WeakPolarHBondContact O-CB 3.01Å; F233-V238 WeakPolarHBondContact O-CG2 3.19Å; F233-V238 PolarHBondContact O-N 3.23Å; F233-F276 AromaticContact CD2-CD1 3.82Å; F233-F276 HydrophobicContact CD2-CD1 3.82Å; F233-F276 HydrophobicContact CD2-CE1 4.28Å; F233-F276 HydrophobicContact CD2-CG 4.11Å; F233-F276 HydrophobicContact CE1-CB 4Å; F233-F276 HydrophobicContact CE2-CB 4Å; F233-F276 AromaticContact CE2-CD1 3.89Å; F233-F276 HydrophobicContact CE2-CD1 3.89Å; F233-F276 HydrophobicContact CE2-CD2 4.04Å; F233-F276 HydrophobicContact CE2-CE1 4.48Å; F233-F276 AromaticContact CE2-CG 3.69Å; F233-F276 HydrophobicContact CE2-CG 3.69Å; F233-F276 HydrophobicContact CG-CD1 4.33Å; F233-F276 HydrophobicContact CZ-CB 3.72Å; F233-F276 HydrophobicContact CZ-CD1 4.47Å; F233-F276 HydrophobicContact CZ-CD2 4.43Å; F233-F276 AromaticContact CZ-CG 3.96Å; F233-F276 HydrophobicContact CZ-CG 3.96Å; F233-M279 HydrophobicContact CB-CE 3.41Å; F233-M279 VanDerWaalsContact CB-CE 3.41Å; F233-M279 HydrophobicContact CB-SD 4.06Å; F233-M279 HydrophobicContact CD1-CE 3.8Å; F233-M279 HydrophobicContact CD2-CE 4.44Å; F233-M279 HydrophobicContact CG-CE 3.62Å; F233-L280 HydrophobicContact CE1-CD1 4.14Å; F233-L280 HydrophobicContact CE1-CD2 3.97Å; F233-L280 HydrophobicContact CE1-CG 3.99Å
234R89.9Confident86.7Confident122 Ų12229.5 Ų29.546%0.4615%0.146SC..Iπ-helixtrans-71.5-36.8-176.5-72.6167.2179.6169.2-1.3113.4L230 A231 P239 M279L230-R234 WeakPolarHBondContact O-CB 3.47Å; L230-R234 WeakPolarHBondContact O-CD 3.41Å; L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 2.77Å; A231-R234 PolarHBondContact O-N 2.7Å; R234-P239 VanDerWaalsContact O-CD 3.31Å; R234-P239 WeakPolarHBondContact O-CD 3.31Å; R234-P239 VanDerWaalsContact O-CG 3.31Å; R234-P239 WeakPolarHBondContact O-CG 3.36Å; R234-M279 HydrophobicContact CG-SD 4.31Å
235H85.5Confident88.4Confident79 Ų7934.4 Ų34.437%0.36617%0.168SC..Iπ-helixtrans-99.6-23.9-171.5-62.6-58.8000114.4A231 I335 M349 F352A231-H235 WeakPolarHBondContact O-CB 3.42Å; A231-H235 PolarHBondContact O-CD2 3.47Å; A231-H235 PolarHBondContact O-N 3.06Å; H235-I335 HydrophobicContact CB-CG2 3.87Å; H235-M349 WeakPolarHBondContact O-CE 3.37Å; H235-F352 HydrophobicContact CB-CE2 4.19Å; H235-F352 HydrophobicContact CB-CZ 4.23Å; H235-F352 AromaticContact ND1-CE2 3.76Å
236I86.2Confident89.7Confident10 Ų1032.5 Ų32.55%0.05116%0.158CC..Iπ-helixtrans-116.5-61.8179.5-56.2-60.9000110.8V232 I240 I335 V338 A339 M349V232-I236 HydrophobicContact CG1-CB 4.49Å; V232-I236 WeakPolarHBondContact O-CB 3.24Å; V232-I236 PolarHBondContact O-N 2.77Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; I236-I240 WeakPolarHBondContact O-CB 3.41Å; I236-I240 VanDerWaalsContact O-CG1 3.24Å; I236-I240 WeakPolarHBondContact O-CG1 3.27Å; I236-I240 PolarHBondContact O-N 3.39Å; I236-I335 HydrophobicContact CD1-CG2 4.03Å; I236-I335 HydrophobicContact CG1-CG1 4.3Å; I236-I335 HydrophobicContact CG1-CG2 4.23Å; I236-V338 HydrophobicContact CD1-CB 4.41Å; I236-V338 HydrophobicContact CD1-CG1 4.09Å; I236-V338 HydrophobicContact CG1-CG1 4.44Å; I236-V338 HydrophobicContact CG2-CG1 4.07Å; I236-A339 HydrophobicContact CD1-CB 3.99Å; I236-M349 HydrophobicContact CD1-SD 3.75Å
237I91.5Very high90.4Very high2 Ų234.1 Ų34.11%0.0117%0.167CC..Iπ-helixtrans-66.3-55.6-166.3-58-172.7000112.4I167 V190 I192 V232 F233 A241 L280I167-I237 HydrophobicContact CD1-CG2 3.54Å; I167-I237 HydrophobicContact CG1-CG2 4.35Å; I167-I237 HydrophobicContact CG2-CD1 4.49Å; V190-I237 HydrophobicContact CG1-CD1 4.3Å; V190-I237 HydrophobicContact CG1-CG1 4.07Å; I192-I237 HydrophobicContact CD1-CD1 3.61Å; I192-I237 HydrophobicContact CG1-CD1 4.04Å; V232-I237 HydrophobicContact CG1-CD1 4.49Å; V232-I237 HydrophobicContact CG1-CG1 4.42Å; V232-I237 PolarHBondContact O-N 3.25Å; V232-I237 VanDerWaalsContact O-N 3.12Å; F233-I237 HydrophobicContact CD1-CB 4.29Å; F233-I237 HydrophobicContact CD1-CD1 4.19Å; F233-I237 HydrophobicContact CD1-CG2 4.31Å; F233-I237 HydrophobicContact CD2-CD1 4.16Å; F233-I237 HydrophobicContact CE1-CD1 4.04Å; F233-I237 HydrophobicContact CE1-CG2 4.31Å; F233-I237 HydrophobicContact CE2-CD1 4.01Å; F233-I237 HydrophobicContact CG-CD1 4.23Å; F233-I237 HydrophobicContact CZ-CD1 3.93Å; F233-I237 PolarHBondContact O-N 2.85Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.47Å; I237-L280 HydrophobicContact CG2-CD2 4.18Å
238V91.7Very high91.2Very high30 Ų3033.1 Ų33.118%0.18216%0.162CC..Hα-helixtrans-64.4-45.9-175.2173.30000111.8F233 A241 L242 M279F233-V238 WeakPolarHBondContact O-CB 3.01Å; F233-V238 WeakPolarHBondContact O-CG2 3.19Å; F233-V238 PolarHBondContact O-N 3.23Å; V238-A241 PolarHBondContact O-N 3.36Å; V238-L242 HydrophobicContact CG1-CD1 3.74Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CB 3.38Å; V238-L242 VanDerWaalsContact O-CG 3.26Å; V238-L242 WeakPolarHBondContact O-CG 3.39Å; V238-L242 PolarHBondContact O-N 2.86Å; V238-M279 HydrophobicContact CG2-CB 4.04Å
239P88.9Confident91.9Very high35 Ų3533.1 Ų33.123%0.22716%0.162CC..Hα-helixtrans-58.4-49.5176.1-26.335.8000113.3R234 A241 L242 E243 C348 M349R234-P239 VanDerWaalsContact O-CD 3.31Å; R234-P239 WeakPolarHBondContact O-CD 3.31Å; R234-P239 VanDerWaalsContact O-CG 3.31Å; R234-P239 WeakPolarHBondContact O-CG 3.36Å; P239-A241 PolarHBondContact O-N 3.37Å; P239-L242 PolarHBondContact O-N 3.34Å; P239-E243 PolarHBondContact O-N 3.13Å; P239-C348 HydrophobicContact CB-CB 3.91Å; P239-M349 HydrophobicContact CB-CE 4.03Å
240I87.3Confident92.2Very high7 Ų733 Ų334%0.03616%0.162CC..Hα-helixtrans-62.8-43.3179.3-68.1176.4000110.5L188 I236 L242 E243 F244 L342 W346 M349L188-I240 HydrophobicContact CD2-CG2 3.56Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; I236-I240 WeakPolarHBondContact O-CB 3.41Å; I236-I240 VanDerWaalsContact O-CG1 3.24Å; I236-I240 WeakPolarHBondContact O-CG1 3.27Å; I236-I240 PolarHBondContact O-N 3.39Å; I240-L242 PolarHBondContact O-N 3.45Å; I240-E243 PolarHBondContact O-N 3.05Å; I240-F244 VanDerWaalsContact O-CB 3.27Å; I240-F244 WeakPolarHBondContact O-CB 3.16Å; I240-F244 PolarHBondContact O-N 3.13Å; I240-L342 HydrophobicContact CD1-CD1 3.69Å; I240-W346 HydrophobicContact CB-CE3 4.45Å; I240-W346 HydrophobicContact CG1-CD2 4.32Å; I240-W346 HydrophobicContact CG1-CG 4.38Å; I240-W346 HydrophobicContact CG2-CD2 3.86Å; I240-W346 HydrophobicContact CG2-CE3 3.84Å; I240-W346 HydrophobicContact CG2-CH2 3.72Å; I240-W346 HydrophobicContact CG2-CZ2 3.72Å; I240-W346 HydrophobicContact CG2-CZ3 3.77Å; I240-M349 HydrophobicContact CD1-CE 4.37Å; I240-M349 HydrophobicContact CD1-CG 4.07Å; I240-M349 HydrophobicContact CD1-SD 3.99Å; I240-M349 HydrophobicContact CG1-CE 3.94Å; I240-M349 HydrophobicContact CG1-CG 4.11Å; I240-M349 HydrophobicContact CG1-SD 4.17Å
241A91.7Very high92.5Very high1 Ų133 Ų331%0.00816%0.161CC..Hα-helixtrans-66.4-35.5-179.500000113.3L165 I237 V238 P239 Q245 P246 I283L165-A241 HydrophobicContact CD2-CB 3.49Å; L165-A241 VanDerWaalsContact CD2-CB 3.49Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.47Å; V238-A241 PolarHBondContact O-N 3.36Å; P239-A241 PolarHBondContact O-N 3.37Å; A241-Q245 PolarHBondContact O-N 3.36Å; A241-P246 WeakPolarHBondContact O-CD 3.5Å; A241-I283 HydrophobicContact CB-CD1 3.74Å; A241-I283 HydrophobicContact CB-CG1 4.49Å; A241-I283 HydrophobicContact CB-CG2 3.89Å
242L93.6Very high92.9Very high102 Ų10232.8 Ų32.853%0.53416%0.16SC..Hα-helixtrans-70.7-35.8174-70.6173.4000112.2V238 P239 I240 Q245V238-L242 HydrophobicContact CG1-CD1 3.74Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CB 3.38Å; V238-L242 VanDerWaalsContact O-CG 3.26Å; V238-L242 WeakPolarHBondContact O-CG 3.39Å; V238-L242 PolarHBondContact O-N 2.86Å; P239-L242 PolarHBondContact O-N 3.34Å; I240-L242 PolarHBondContact O-N 3.45Å; L242-Q245 WeakPolarHBondContact O-CG 3.06Å
243E92Very high93.3Very high60 Ų6031.3 Ų31.328%0.2815%0.151SC..Hα-helixtrans-70.2-39.2172.5-172.8171.4171.700111.6P239 I240 Q245 W346 N347 C348P239-E243 PolarHBondContact O-N 3.13Å; I240-E243 PolarHBondContact O-N 3.05Å; E243-Q245 PolarHBondContact O-N 2.97Å; E243-W346 HydrophobicContact CB-CE3 4.07Å; E243-W346 HydrophobicContact CB-CZ3 4.2Å; E243-W346 HydrophobicContact CG-CE3 4Å; E243-W346 HydrophobicContact CG-CZ3 4.27Å; E243-N347 VanDerWaalsContact OE1-CB 3.3Å; E243-N347 WeakPolarHBondContact OE1-CB 3.44Å; E243-N347 PolarHBondContact OE1-N 2.85Å; E243-N347 PolarHBondContact OE1-ND2 2.92Å; E243-N347 PolarHBondContact OE2-N 2.84Å; E243-N347 VanDerWaalsContact OE2-N 3.11Å; E243-C348 WeakPolarHBondContact OE2-CB 3.04Å; E243-C348 PolarHBondContact OE2-N 2.97Å; E243-C348 PolarHBondContact OE2-SG 3.07Å
244F92.6Very high93.5Very high23 Ų2331.3 Ų31.310%0.10115%0.151CC..Hα-helixtrans-68.4-32.4178.4-174.4-120.7000113K163 I164 L188 I240 P246 W346K163-F244 HydrophobicContact CB-CE1 3.96Å; K163-F244 HydrophobicContact CB-CZ 3.89Å; K163-F244 HydrophobicContact CD-CE2 4.16Å; K163-F244 HydrophobicContact CD-CZ 4.27Å; K163-F244 WeakPolarHBondContact CD-O 3.27Å; K163-F244 WeakPolarHBondContact CE-O 3.44Å; K163-F244 HydrophobicContact CG-CE2 4.4Å; K163-F244 HydrophobicContact CG-CZ 4.09Å; K163-F244 PolarHBondContact NZ-O 3.25Å; I164-F244 WeakPolarHBondContact O-CE1 3.31Å; L188-F244 HydrophobicContact CB-CD1 3.89Å; L188-F244 HydrophobicContact CB-CD2 4.39Å; L188-F244 HydrophobicContact CB-CE1 3.65Å; L188-F244 HydrophobicContact CB-CE2 4.17Å; L188-F244 HydrophobicContact CB-CG 4.26Å; L188-F244 HydrophobicContact CB-CZ 3.79Å; L188-F244 HydrophobicContact CD2-CB 4.03Å; L188-F244 HydrophobicContact CD2-CD1 3.99Å; L188-F244 HydrophobicContact CD2-CD2 4.43Å; L188-F244 HydrophobicContact CD2-CG 3.9Å; I240-F244 VanDerWaalsContact O-CB 3.27Å; I240-F244 WeakPolarHBondContact O-CB 3.16Å; I240-F244 PolarHBondContact O-N 3.13Å; F244-P246 HydrophobicContact CD1-CB 3.9Å; F244-P246 HydrophobicContact CD1-CG 4.32Å; F244-P246 HydrophobicContact CE1-CB 4.03Å; F244-W346 HydrophobicContact CB-CH2 3.75Å; F244-W346 HydrophobicContact CB-CZ3 3.81Å; F244-W346 AromaticContact CD2-CH2 3.81Å; F244-W346 HydrophobicContact CD2-CH2 3.81Å; F244-W346 HydrophobicContact CD2-CZ3 4.48Å; F244-W346 HydrophobicContact CG-CH2 4.1Å
245Q96.7Very high93.9Very high132 Ų13225.8 Ų25.862%0.61713%0.13SC*.  trans49.965.4-178.3-56176.6-12.400112.9K163 A241 L242 E243K163-Q245 WeakPolarHBondContact CE-O 3.09Å; K163-Q245 PolarHBondContact NZ-O 2.76Å; A241-Q245 PolarHBondContact O-N 3.36Å; L242-Q245 WeakPolarHBondContact O-CG 3.06Å; E243-Q245 PolarHBondContact O-N 2.97Å
246P97Very high94.3Very high5 Ų522 Ų223%0.03211%0.113CC..  trans-68.1146.718030.3-35.9000112.1L165 A241 F244 L248 V249 I283 A284L165-P246 HydrophobicContact CB-CB 3.7Å; L165-P246 HydrophobicContact CB-CG 3.74Å; L165-P246 HydrophobicContact CD2-CG 4.11Å; A241-P246 WeakPolarHBondContact O-CD 3.5Å; F244-P246 HydrophobicContact CD1-CB 3.9Å; F244-P246 HydrophobicContact CD1-CG 4.32Å; F244-P246 HydrophobicContact CE1-CB 4.03Å; P246-L248 VanDerWaalsContact C-N 3.31Å; P246-V249 HydrophobicContact CG-CG2 4.13Å; P246-I283 HydrophobicContact CG-CG2 3.56Å; P246-A284 WeakPolarHBondContact O-CB 3.22Å
247D97.4Very high94.6Very high49 Ų4921.5 Ų21.526%0.26211%0.11SC..SBendtrans-73.4-29169.8-61.9-50.6000111.4V161 K162 K163 R287V161-D247 HydrophobicContact CG1-CB 3.98Å; K162-D247 WeakPolarHBondContact CA-OD2 3.31Å; K162-D247 WeakPolarHBondContact CB-OD2 3.46Å; K162-D247 PolarHBondContact N-OD2 3.47Å; K163-D247 PolarHBondContact N-OD2 3.32Å; K163-D247 WeakPolarHBondContact O-CB 3.25Å; K163-D247 PolarHBondContact O-N 2.96Å; D247-R287 PolarHBondContact O-NE 3.38Å; D247-R287 PolarHBondContact O-NH2 3.23Å; D247-R287 VanDerWaalsContact O-NH2 3.14Å
248L98.3Very high94.5Very high0 Ų021.4 Ų21.40%011%0.11CC..EExtended strand (participates in β ladder)trans-145.7137.3-173.1176.663.4000110.9T112 V115 I116 V161 K163 L165 P246 F250T112-L248 HydrophobicContact CG2-CD1 4.3Å; T112-L248 HydrophobicContact CG2-CD2 3.49Å; T112-L248 VanDerWaalsContact CG2-CD2 3.49Å; V115-L248 HydrophobicContact CG1-CD1 4.33Å; I116-L248 HydrophobicContact CD1-CB 4.11Å; I116-L248 HydrophobicContact CD1-CD1 3.99Å; I116-L248 HydrophobicContact CD1-CD2 4.21Å; I116-L248 HydrophobicContact CD1-CG 4.33Å; I116-L248 HydrophobicContact CG1-CD1 4.49Å; I116-L248 HydrophobicContact CG1-CD2 4.47Å; V161-L248 HydrophobicContact CG1-CB 3.93Å; V161-L248 HydrophobicContact CG1-CD2 4.35Å; K163-L248 PolarHBondContact O-N 2.81Å; L165-L248 PolarHBondContact N-O 2.76Å; P246-L248 VanDerWaalsContact C-N 3.31Å; L248-F250 HydrophobicContact CD2-CD2 4.27Å; L248-F250 HydrophobicContact CD2-CE2 3.45Å; L248-F250 VanDerWaalsContact CD2-CE2 3.45Å; L248-F250 HydrophobicContact CD2-CZ 3.72Å; L248-F250 HydrophobicContact CG-CD2 4.41Å; L248-F250 HydrophobicContact CG-CE2 4.06Å; L248-F250 HydrophobicContact CG-CZ 4.49Å
249V98.2Very high94.2Very high1 Ų123.1 Ų23.11%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-109.9126.7171.7-175.20000110.5L165 I167 P246 V251 I283 A284 R287 L288 V289L165-V249 HydrophobicContact CB-CG2 4.34Å; L165-V249 HydrophobicContact CD2-CG1 4.34Å; L165-V249 HydrophobicContact CD2-CG2 4.19Å; L165-V249 HydrophobicContact CG-CG1 4.42Å; L165-V249 CarbonylContact O-C 3.58Å; L165-V249 WeakPolarHBondContact O-CA 3.37Å; I167-V249 HydrophobicContact CG1-CG1 4.43Å; P246-V249 HydrophobicContact CG-CG2 4.13Å; V249-V251 HydrophobicContact CG1-CG2 4.35Å; V249-I283 HydrophobicContact CG2-CB 4.4Å; V249-I283 HydrophobicContact CG2-CG2 4.26Å; V249-A284 HydrophobicContact CG2-CB 3.83Å; V249-R287 PolarHBondContact N-O 2.7Å; V249-L288 HydrophobicContact CB-CB 4.06Å; V249-L288 CarbonylContact O-C 3.58Å; V249-L288 WeakPolarHBondContact O-CA 3.32Å; V249-V289 PolarHBondContact O-N 3.35Å
250F98.1Very high94Very high0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-97.5145.3160.3-71.4-80.5000110.1V108 T112 V148 A151 A152 I164 L165 I166 I167 L248 V289V108-F250 HydrophobicContact CG1-CD1 4.37Å; V108-F250 HydrophobicContact CG1-CE1 4Å; T112-F250 HydrophobicContact CG2-CE1 4.41Å; T112-F250 HydrophobicContact CG2-CZ 3.89Å; T112-F250 VanDerWaalsContact OG1-CE1 3.26Å; T112-F250 WeakPolarHBondContact OG1-CE1 3.37Å; T112-F250 WeakPolarHBondContact OG1-CZ 3.23Å; V148-F250 HydrophobicContact CG1-CB 3.69Å; V148-F250 HydrophobicContact CG1-CD1 4.13Å; V148-F250 HydrophobicContact CG1-CD2 4.44Å; V148-F250 HydrophobicContact CG1-CG 3.85Å; A151-F250 HydrophobicContact CB-CE1 3.63Å; A151-F250 HydrophobicContact CB-CZ 3.64Å; A152-F250 HydrophobicContact CB-CD2 4.38Å; A152-F250 HydrophobicContact CB-CE2 3.94Å; I164-F250 HydrophobicContact CD1-CE2 4.48Å; I164-F250 HydrophobicContact CG2-CD2 3.58Å; I164-F250 HydrophobicContact CG2-CE2 3.85Å; L165-F250 PolarHBondContact O-N 2.82Å; I166-F250 HydrophobicContact CG1-CB 4.28Å; I166-F250 HydrophobicContact CG1-CD2 4.38Å; I166-F250 HydrophobicContact CG2-CB 4.46Å; I167-F250 PolarHBondContact N-O 2.67Å; L248-F250 HydrophobicContact CD2-CD2 4.27Å; L248-F250 HydrophobicContact CD2-CE2 3.45Å; L248-F250 VanDerWaalsContact CD2-CE2 3.45Å; L248-F250 HydrophobicContact CD2-CZ 3.72Å; L248-F250 HydrophobicContact CG-CD2 4.41Å; L248-F250 HydrophobicContact CG-CE2 4.06Å; L248-F250 HydrophobicContact CG-CZ 4.49Å; F250-V289 CarbonylContact C-O 3.5Å; F250-V289 WeakPolarHBondContact CA-O 3.35Å; F250-V289 HydrophobicContact CD1-CB 3.79Å; F250-V289 HydrophobicContact CD1-CG1 4.1Å; F250-V289 HydrophobicContact CE1-CB 3.92Å; F250-V289 HydrophobicContact CE1-CG1 4.12Å; F250-V289 HydrophobicContact CE1-CG2 4.33Å
251V97.7Very high94Very high0 Ų024.2 Ų24.20%014%0.139CC..EExtended strand (participates in β ladder)trans-120.8110.7167.3-171.20000108.6I167 W169 V249 A253 L280 V289 V290 A291I167-V251 CarbonylContact O-C 3.58Å; I167-V251 VanDerWaalsContact O-CA 3.26Å; I167-V251 WeakPolarHBondContact O-CA 3.32Å; W169-V251 HydrophobicContact CD2-CG1 3.76Å; W169-V251 HydrophobicContact CE3-CG1 3.65Å; W169-V251 HydrophobicContact CH2-CG1 3.75Å; W169-V251 HydrophobicContact CZ2-CG1 3.82Å; W169-V251 HydrophobicContact CZ3-CG1 3.66Å; V249-V251 HydrophobicContact CG1-CG2 4.35Å; V251-A253 HydrophobicContact CG1-CB 4.13Å; V251-A253 PolarHBondContact O-N 3.1Å; V251-A253 VanDerWaalsContact O-N 3.17Å; V251-L280 HydrophobicContact CG2-CD1 3.76Å; V251-V289 PolarHBondContact N-O 2.97Å; V251-V290 HydrophobicContact CB-CG1 4.39Å; V251-V290 HydrophobicContact CB-CG2 4.42Å; V251-A291 PolarHBondContact O-N 3.05Å
252S96Very high93.7Very high0 Ų027.9 Ų27.90%016%0.163CC..EExtended strand (participates in β ladder)trans-74.595.9164.9-62.40000106.8I167 D168 W169 G254I167-S252 PolarHBondContact O-N 3.17Å; D168-S252 WeakPolarHBondContact OD1-CB 3.32Å; W169-S252 PolarHBondContact N-O 3.29Å; S252-G254 PolarHBondContact O-N 3.06Å
253A97.3Very high93.4Very high0 Ų024.9 Ų24.90%015%0.147CC..EExtended strand (participates in β ladder)trans-9979.9-16500000111.6W169 V251 F255 V290 A291 E293W169-A253 HydrophobicContact CZ2-CB 4.04Å; V251-A253 HydrophobicContact CG1-CB 4.13Å; V251-A253 PolarHBondContact O-N 3.1Å; V251-A253 VanDerWaalsContact O-N 3.17Å; A253-F255 HydrophobicContact CB-CE2 3.96Å; A253-F255 HydrophobicContact CB-CZ 3.92Å; A253-F255 WeakPolarHBondContact O-CD2 3.45Å; A253-F255 VanDerWaalsContact O-CE2 3.25Å; A253-F255 WeakPolarHBondContact O-CE2 3.45Å; A253-V290 HydrophobicContact CB-CG1 3.43Å; A253-V290 VanDerWaalsContact CB-CG1 3.43Å; A253-A291 WeakPolarHBondContact CA-O 3.3Å; A253-A291 WeakPolarHBondContact CB-O 3.47Å; A253-A291 PolarHBondContact N-O 3.4Å; A253-E293 PolarHBondContact O-N 2.88Å
254G96.6Very high93Very high0 Ų022 Ų220%013%0.134CC..  trans-75.8152.1162.300000111.1W169 D170 S252W169-G254 PolarHBondContact NE1-O 2.89Å; D170-G254 WeakPolarHBondContact OD2-CA 3.32Å; S252-G254 PolarHBondContact O-N 3.06Å
255F97Very high92.5Very high5 Ų524.4 Ų24.42%0.02215%0.147CC..  trans-128.524.6177.5-59.7-78000111.8W169 A253 A258 F273 L292 G294 G295 L301 V305 V308W169-F255 HydrophobicContact CZ2-CE1 4.17Å; W169-F255 HydrophobicContact CZ2-CZ 4.39Å; A253-F255 HydrophobicContact CB-CE2 3.96Å; A253-F255 HydrophobicContact CB-CZ 3.92Å; A253-F255 WeakPolarHBondContact O-CD2 3.45Å; A253-F255 VanDerWaalsContact O-CE2 3.25Å; A253-F255 WeakPolarHBondContact O-CE2 3.45Å; F255-A258 WeakPolarHBondContact O-CB 3.31Å; F255-A258 PolarHBondContact O-N 3.32Å; F255-F273 AromaticContact CD1-CD1 3.58Å; F255-F273 HydrophobicContact CD1-CD1 3.58Å; F255-F273 HydrophobicContact CD1-CD2 4.24Å; F255-F273 AromaticContact CD1-CE1 3.71Å; F255-F273 HydrophobicContact CD1-CE1 3.71Å; F255-F273 HydrophobicContact CD1-CE2 4.37Å; F255-F273 AromaticContact CD1-CG 3.85Å; F255-F273 HydrophobicContact CD1-CG 3.85Å; F255-F273 HydrophobicContact CD1-CZ 4.12Å; F255-F273 HydrophobicContact CE1-CB 4.12Å; F255-F273 AromaticContact CE1-CD1 3.68Å; F255-F273 HydrophobicContact CE1-CD1 3.68Å; F255-F273 HydrophobicContact CE1-CE1 4.26Å; F255-F273 AromaticContact CE1-CG 3.91Å; F255-F273 HydrophobicContact CE1-CG 3.91Å; F255-L292 HydrophobicContact CD2-CD1 3.75Å; F255-L292 HydrophobicContact CE2-CD1 3.77Å; F255-G294 PolarHBondContact N-O 3.19Å; F255-G295 VanDerWaalsContact C-CA 3.43Å; F255-L301 HydrophobicContact CB-CD1 3.81Å; F255-L301 HydrophobicContact CD2-CD1 3.37Å; F255-L301 HydrophobicContact CE2-CD1 4.24Å; F255-L301 HydrophobicContact CG-CD1 3.89Å; F255-V305 HydrophobicContact CD2-CG2 3.88Å; F255-V305 HydrophobicContact CE2-CG2 3.41Å; F255-V305 VanDerWaalsContact CE2-CG2 3.41Å; F255-V305 HydrophobicContact CZ-CG2 3.75Å; F255-V308 HydrophobicContact CE1-CG2 3.93Å; F255-V308 HydrophobicContact CZ-CG2 4.08Å
256D94.5Very high91.9Very high0 Ų018.7 Ų18.70%012%0.121CC..SBendtrans-86.8-14.4176.230.730.8000113.3V171 A258 C261 G264 G294 G295 Y296V171-D256 HydrophobicContact CB-CB 4.31Å; V171-D256 HydrophobicContact CG1-CB 3.69Å; V171-D256 VanDerWaalsContact CG1-CG 3.48Å; V171-D256 WeakPolarHBondContact CG1-OD1 3Å; V171-D256 PolarHBondContact N-OD1 2.86Å; D256-A258 PolarHBondContact O-N 2.92Å; D256-C261 WeakPolarHBondContact CA-SG 3.28Å; D256-C261 HydrophobicContact CB-CB 4.4Å; D256-C261 WeakPolarHBondContact CB-SG 3.29Å; D256-C261 WeakPolarHBondContact O-CB 3.28Å; D256-C261 PolarHBondContact O-SG 3.23Å; D256-C261 VanDerWaalsContact O-SG 3.39Å; D256-G264 WeakPolarHBondContact O-CA 3.4Å; D256-G294 VanDerWaalsContact OD2-C 3.32Å; D256-G294 VanDerWaalsContact OD2-CA 3.25Å; D256-G294 WeakPolarHBondContact OD2-CA 3.36Å; D256-G295 VanDerWaalsContact CG-N 3.33Å; D256-G295 VanDerWaalsContact N-CA 3.31Å; D256-G295 PolarHBondContact OD2-N 3.41Å; D256-Y296 HydrophobicContact CB-CD2 3.98Å; D256-Y296 HydrophobicContact CB-CE2 4.01Å; D256-Y296 WeakPolarHBondContact OD2-CE2 3.26Å
257A92.7Very high91.2Very high0 Ų025.7 Ų25.70%015%0.146CC..SBendtrans-68.3-11.8160.600000112.5V171 Y229 M266 V268 F273V171-A257 HydrophobicContact CB-CB 4.24Å; V171-A257 HydrophobicContact CG2-CB 4.34Å; Y229-A257 HydrophobicContact CE1-CB 4.42Å; Y229-A257 VanDerWaalsContact OH-CB 3.32Å; Y229-A257 WeakPolarHBondContact OH-CB 3.24Å; A257-M266 HydrophobicContact CB-CB 4.36Å; A257-M266 HydrophobicContact CB-CG 4.5Å; A257-M266 WeakPolarHBondContact O-CB 3.35Å; A257-V268 HydrophobicContact CB-CG2 4.25Å; A257-V268 VanDerWaalsContact O-CB 3.27Å; A257-V268 WeakPolarHBondContact O-CB 3.33Å; A257-V268 WeakPolarHBondContact O-CG2 3.47Å; A257-V268 PolarHBondContact O-N 3.45Å; A257-F273 HydrophobicContact CB-CZ 4.33Å
258A89.5Confident90.8Very high0 Ų023.4 Ų23.40%013%0.134CC..BIsolated β-bridgetrans-72.7144.4179.300000112.2F255 D256 G260 C261 V268 F273F255-A258 WeakPolarHBondContact O-CB 3.31Å; F255-A258 PolarHBondContact O-N 3.32Å; D256-A258 PolarHBondContact O-N 2.92Å; A258-G260 PolarHBondContact O-N 3.45Å; A258-C261 VanDerWaalsContact O-CB 3.26Å; A258-C261 WeakPolarHBondContact O-CB 3.37Å; A258-C261 PolarHBondContact O-N 2.96Å; A258-C261 VanDerWaalsContact O-N 3.14Å; A258-V268 CarbonylContact C-O 3.41Å; A258-V268 VanDerWaalsContact CA-O 3.27Å; A258-V268 WeakPolarHBondContact CA-O 3.17Å; A258-F273 HydrophobicContact CB-CE2 3.77Å; A258-F273 HydrophobicContact CB-CZ 4.12Å
259V85.5Confident90.4Very high65 Ų6524.3 Ų24.339%0.39414%0.14SC..THydrogen-bonded Turntrans-48.5137.5176.166.10000112C261 V268 S300V259-C261 VanDerWaalsContact C-N 3.28Å; V259-C261 PolarHBondContact O-N 3.43Å; V259-V268 PolarHBondContact N-O 3.11Å; V259-S300 WeakPolarHBondContact O-CB 3.31Å; V259-S300 PolarHBondContact O-OG 3.45Å
260G83.5Confident90.1Very high60 Ų6024.9 Ų24.962%0.61914%0.144SC*.THydrogen-bonded Turntrans78.60.8-18000000115.2A258 S297A258-G260 PolarHBondContact O-N 3.45Å; G260-S297 WeakPolarHBondContact O-CB 3.49Å
261C87.8Confident89.9Confident6 Ų628 Ų284%0.04116%0.159CC..  trans-63.2126.1167-177.70000110.6D256 A258 V259 L263D256-C261 WeakPolarHBondContact CA-SG 3.28Å; D256-C261 HydrophobicContact CB-CB 4.4Å; D256-C261 WeakPolarHBondContact CB-SG 3.29Å; D256-C261 WeakPolarHBondContact O-CB 3.28Å; D256-C261 PolarHBondContact O-SG 3.23Å; D256-C261 VanDerWaalsContact O-SG 3.39Å; A258-C261 VanDerWaalsContact O-CB 3.26Å; A258-C261 WeakPolarHBondContact O-CB 3.37Å; A258-C261 PolarHBondContact O-N 2.96Å; A258-C261 VanDerWaalsContact O-N 3.14Å; V259-C261 VanDerWaalsContact C-N 3.28Å; V259-C261 PolarHBondContact O-N 3.43Å; C261-L263 VanDerWaalsContact C-N 3.27Å; C261-L263 PolarHBondContact O-N 3.3Å
262P85.4Confident89.7Confident78 Ų7828 Ų2851%0.50616%0.159SC..THydrogen-bonded Turntrans-69.5-21.3-175.427-35.3000114.2
263L86.9Confident89.7Confident39 Ų3928 Ų2820%0.20416%0.159CC..THydrogen-bonded Turntrans-103.2-40-176.3-50.4-175.8000112.7E23 Y172 R194 C261 Y296E23-L263 HydrophobicContact CB-CD1 4.4Å; E23-L263 HydrophobicContact CG-CD1 4.19Å; E23-L263 HydrophobicContact CG-CD2 4.36Å; E23-L263 HydrophobicContact CG-CG 4.41Å; Y172-L263 VanDerWaalsContact OH-CB 3.24Å; Y172-L263 WeakPolarHBondContact OH-CB 3.42Å; R194-L263 PolarHBondContact NH1-O 3.31Å; C261-L263 VanDerWaalsContact C-N 3.27Å; C261-L263 PolarHBondContact O-N 3.3Å; L263-Y296 HydrophobicContact CB-CD2 4.35Å; L263-Y296 HydrophobicContact CD1-CD2 3.68Å; L263-Y296 HydrophobicContact CD1-CE2 3.89Å; L263-Y296 HydrophobicContact CD1-CG 4.1Å; L263-Y296 HydrophobicContact CG-CD2 4.11Å
264G83.5Confident89.7Confident0 Ų028 Ų280%016%0.159CC..THydrogen-bonded Turntrans-73.5-31.9-172.300000114.8R194 D256 M266R194-G264 WeakPolarHBondContact CD-O 3.49Å; R194-G264 PolarHBondContact NH1-O 3.07Å; D256-G264 WeakPolarHBondContact O-CA 3.4Å; G264-M266 VanDerWaalsContact C-N 3.25Å; G264-M266 PolarHBondContact O-N 3.29Å
265N82.6Confident89.7Confident72 Ų7231.1 Ų31.139%0.38517%0.171SC..  trans46.545.6-176.2-54.3-25.9000113.8R194 N223R194-N265 PolarHBondContact NH1-ND2 3.06Å; N223-N265 PolarHBondContact OD1-O 3.42Å
266M83.6Confident89.6Confident13 Ų1330.9 Ų30.96%0.06417%0.17CC..  trans-111.2171.9171.9-68.5-60.1179.700110.1V171 R194 L224 A257 G264V171-M266 HydrophobicContact CG2-CE 4.39Å; V171-M266 HydrophobicContact CG2-CG 3.77Å; R194-M266 HydrophobicContact CB-CE 3.58Å; R194-M266 HydrophobicContact CG-CE 3.81Å; L224-M266 HydrophobicContact CB-CE 4.38Å; L224-M266 HydrophobicContact CB-SD 3.56Å; L224-M266 VanDerWaalsContact CB-SD 3.56Å; L224-M266 HydrophobicContact CD1-CE 3.96Å; L224-M266 HydrophobicContact CD1-SD 4.24Å; L224-M266 HydrophobicContact CG-CE 3.95Å; L224-M266 HydrophobicContact CG-SD 3.74Å; L224-M266 PolarHBondContact N-SD 3.22Å; A257-M266 HydrophobicContact CB-CB 4.36Å; A257-M266 HydrophobicContact CB-CG 4.5Å; A257-M266 WeakPolarHBondContact O-CB 3.35Å; G264-M266 VanDerWaalsContact C-N 3.25Å; G264-M266 PolarHBondContact O-N 3.29Å
267R83.5Confident89.7Confident152 Ų15230.9 Ų30.957%0.57417%0.17SC*.  trans-122.515.4-175.3-78.8177.1-174.7-165.2-1.2113.4N223 L224 D225 S269N223-R267 HydrophobicContact CB-CB 4.36Å; N223-R267 HydrophobicContact CB-CG 3.8Å; N223-R267 PolarHBondContact ND2-NE 3.43Å; N223-R267 PolarHBondContact ND2-NH2 2.82Å; L224-R267 WeakPolarHBondContact O-CA 3.49Å; L224-R267 PolarHBondContact O-N 2.62Å; D225-R267 HydrophobicContact CB-CB 3.92Å; R267-S269 PolarHBondContact O-N 2.87Å
268V88.2Confident89.9Confident0 Ų035.1 Ų35.10%019%0.188CC..BIsolated β-bridgetrans-60.8127.3176.5-172.30000109.4L224 D226 Y229 A257 A258 V259 A272 F273 F276L224-V268 PolarHBondContact O-N 3.42Å; D226-V268 WeakPolarHBondContact OD1-CA 3.31Å; Y229-V268 HydrophobicContact CD2-CG2 3.38Å; Y229-V268 HydrophobicContact CE2-CG2 3.41Å; Y229-V268 VanDerWaalsContact CE2-CG2 3.41Å; Y229-V268 HydrophobicContact CG-CG2 4Å; A257-V268 HydrophobicContact CB-CG2 4.25Å; A257-V268 VanDerWaalsContact O-CB 3.27Å; A257-V268 WeakPolarHBondContact O-CB 3.33Å; A257-V268 WeakPolarHBondContact O-CG2 3.47Å; A257-V268 PolarHBondContact O-N 3.45Å; A258-V268 CarbonylContact C-O 3.41Å; A258-V268 VanDerWaalsContact CA-O 3.27Å; A258-V268 WeakPolarHBondContact CA-O 3.17Å; V259-V268 PolarHBondContact N-O 3.11Å; V268-A272 HydrophobicContact CG1-CB 3.79Å; V268-F273 HydrophobicContact CB-CE2 4.25Å; V268-F273 HydrophobicContact CB-CZ 4.4Å; V268-F273 HydrophobicContact CG1-CD2 4.27Å; V268-F273 HydrophobicContact CG1-CE2 3.71Å; V268-F273 HydrophobicContact CG1-CZ 4.03Å; V268-F276 HydrophobicContact CG1-CE2 4Å; V268-F276 HydrophobicContact CG1-CZ 3.89Å
269S90.7Very high90.1Very high19 Ų1937.1 Ų37.113%0.13320%0.198CC..  trans-71146.4175.578.20000110D226 R267 Q271 A272 F273D226-S269 VanDerWaalsContact CG-OG 3.3Å; D226-S269 PolarHBondContact OD1-N 3.11Å; D226-S269 PolarHBondContact OD1-OG 3.32Å; D226-S269 VanDerWaalsContact OD2-CB 3.24Å; D226-S269 WeakPolarHBondContact OD2-CB 3.49Å; D226-S269 PolarHBondContact OD2-OG 3.3Å; R267-S269 PolarHBondContact O-N 2.87Å; S269-Q271 PolarHBondContact O-N 3.13Å; S269-Q271 VanDerWaalsContact O-N 3.07Å; S269-A272 PolarHBondContact O-N 2.92Å; S269-A272 VanDerWaalsContact O-N 3.07Å; S269-A272 PolarHBondContact OG-N 3.48Å; S269-F273 WeakPolarHBondContact O-CD2 3.34Å
270P92Very high90.6Very high14 Ų1434.1 Ų34.19%0.09118%0.18CC..THydrogen-bonded Turntrans-53.9-27.8172.3-29.436.6000114.1W303 S304 C307P270-W303 HydrophobicContact CB-CB 3.54Å; P270-W303 HydrophobicContact CG-CB 3.92Å; P270-S304 WeakPolarHBondContact CA-OG 3.42Å; P270-C307 VanDerWaalsContact O-CB 3.28Å; P270-C307 WeakPolarHBondContact O-CB 3.38Å; P270-C307 PolarHBondContact O-SG 3.22Å
271Q92.9Very high91.2Very high64 Ų6431.8 Ų31.830%0.29915%0.153SC..THydrogen-bonded Turntrans-64.1-41.1177.3-61.485.5-53.400112.2S269 F273 G274 F318 L320S269-Q271 PolarHBondContact O-N 3.13Å; S269-Q271 VanDerWaalsContact O-N 3.07Å; Q271-F273 VanDerWaalsContact C-N 3.31Å; Q271-F273 PolarHBondContact O-N 3.16Å; Q271-G274 PolarHBondContact O-N 3.48Å; Q271-F318 HydrophobicContact CB-CB 4.32Å; Q271-F318 HydrophobicContact CG-CB 3.55Å; Q271-F318 HydrophobicContact CG-CD2 4.06Å; Q271-F318 HydrophobicContact CG-CG 4.15Å; Q271-L320 HydrophobicContact CB-CD2 3.36Å
272A93.3Very high91.5Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-63.2-32.6-173.700000113.6D226 V268 S269 G274 Y275 F276 L320D226-A272 HydrophobicContact CB-CB 4.21Å; D226-A272 VanDerWaalsContact OD1-CB 3.3Å; D226-A272 WeakPolarHBondContact OD1-CB 3.47Å; V268-A272 HydrophobicContact CG1-CB 3.79Å; S269-A272 PolarHBondContact O-N 2.92Å; S269-A272 VanDerWaalsContact O-N 3.07Å; S269-A272 PolarHBondContact OG-N 3.48Å; A272-G274 PolarHBondContact O-N 3.35Å; A272-Y275 CarbonylContact O-C 3.53Å; A272-Y275 WeakPolarHBondContact O-CA 3.46Å; A272-Y275 WeakPolarHBondContact O-CB 3.42Å; A272-Y275 PolarHBondContact O-N 3.39Å; A272-F276 HydrophobicContact CB-CE1 4.02Å; A272-F276 HydrophobicContact CB-CE2 4.36Å; A272-F276 HydrophobicContact CB-CZ 3.7Å; A272-F276 WeakPolarHBondContact O-CD1 3.35Å; A272-F276 WeakPolarHBondContact O-CG 3.31Å; A272-F276 PolarHBondContact O-N 3.36Å; A272-L320 HydrophobicContact CB-CD1 4.38Å; A272-L320 HydrophobicContact CB-CD2 4.2Å
273F97.2Very high92Very high0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-57.7-30.4172.8-63.9-87.1000113.1W169 F255 A257 A258 V268 S269 Q271 F276 M277 S304 V308W169-F273 AromaticContact CD1-CE1 3.95Å; W169-F273 HydrophobicContact CD2-CD1 4.38Å; W169-F273 AromaticContact CE2-CD1 3.81Å; W169-F273 HydrophobicContact CZ2-CD1 4.1Å; W169-F273 AromaticContact NE1-CD1 3.66Å; W169-F273 AromaticContact NE1-CE1 3.82Å; F255-F273 AromaticContact CD1-CD1 3.58Å; F255-F273 HydrophobicContact CD1-CD1 3.58Å; F255-F273 HydrophobicContact CD1-CD2 4.24Å; F255-F273 AromaticContact CD1-CE1 3.71Å; F255-F273 HydrophobicContact CD1-CE1 3.71Å; F255-F273 HydrophobicContact CD1-CE2 4.37Å; F255-F273 AromaticContact CD1-CG 3.85Å; F255-F273 HydrophobicContact CD1-CG 3.85Å; F255-F273 HydrophobicContact CD1-CZ 4.12Å; F255-F273 HydrophobicContact CE1-CB 4.12Å; F255-F273 AromaticContact CE1-CD1 3.68Å; F255-F273 HydrophobicContact CE1-CD1 3.68Å; F255-F273 HydrophobicContact CE1-CE1 4.26Å; F255-F273 AromaticContact CE1-CG 3.91Å; F255-F273 HydrophobicContact CE1-CG 3.91Å; A257-F273 HydrophobicContact CB-CZ 4.33Å; A258-F273 HydrophobicContact CB-CE2 3.77Å; A258-F273 HydrophobicContact CB-CZ 4.12Å; V268-F273 HydrophobicContact CB-CE2 4.25Å; V268-F273 HydrophobicContact CB-CZ 4.4Å; V268-F273 HydrophobicContact CG1-CD2 4.27Å; V268-F273 HydrophobicContact CG1-CE2 3.71Å; V268-F273 HydrophobicContact CG1-CZ 4.03Å; S269-F273 WeakPolarHBondContact O-CD2 3.34Å; Q271-F273 VanDerWaalsContact C-N 3.31Å; Q271-F273 PolarHBondContact O-N 3.16Å; F273-F276 HydrophobicContact CD1-CD2 4.03Å; F273-F276 HydrophobicContact CD1-CE2 4.11Å; F273-F276 HydrophobicContact CE1-CE2 4.36Å; F273-F276 HydrophobicContact CG-CD2 4.39Å; F273-F276 HydrophobicContact CG-CE2 4.39Å; F273-M277 WeakPolarHBondContact O-CB 3.16Å; F273-M277 PolarHBondContact O-N 2.88Å; F273-S304 WeakPolarHBondContact CD2-OG 3.46Å; F273-V308 HydrophobicContact CB-CG2 3.89Å
274G96.8Very high92.3Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-67.2-35.6171.200000112.9Q271 A272 K278 A311 L317Q271-G274 PolarHBondContact O-N 3.48Å; A272-G274 PolarHBondContact O-N 3.35Å; G274-K278 PolarHBondContact O-N 3.25Å; G274-A311 WeakPolarHBondContact O-CB 3.27Å; G274-L317 WeakPolarHBondContact O-CD1 3.1Å
275Y95.7Very high92.6Very high67 Ų6734.4 Ų34.426%0.26318%0.183SC..Hα-helixtrans-73.7-40.3176.2-75.1-100.9000111.8A272 M277 K278 M279 L317 F318 L320A272-Y275 CarbonylContact O-C 3.53Å; A272-Y275 WeakPolarHBondContact O-CA 3.46Å; A272-Y275 WeakPolarHBondContact O-CB 3.42Å; A272-Y275 PolarHBondContact O-N 3.39Å; Y275-M277 VanDerWaalsContact C-N 3.27Å; Y275-M277 PolarHBondContact O-N 2.91Å; Y275-K278 PolarHBondContact O-N 2.89Å; Y275-M279 WeakPolarHBondContact O-CG 3.48Å; Y275-M279 PolarHBondContact O-N 3.28Å; Y275-L317 HydrophobicContact CD2-CB 4.42Å; Y275-L317 HydrophobicContact CD2-CD1 3.73Å; Y275-L317 HydrophobicContact CE2-CB 3.76Å; Y275-L317 HydrophobicContact CE2-CD1 3.86Å; Y275-L317 HydrophobicContact CE2-CG 4.49Å; Y275-L317 HydrophobicContact CG-CD1 4.08Å; Y275-F318 WeakPolarHBondContact CE2-O 3.43Å; Y275-F318 PolarHBondContact OH-O 3.34Å; Y275-L320 HydrophobicContact CD1-CD1 4.28Å; Y275-L320 HydrophobicContact CD2-CD1 3.63Å; Y275-L320 HydrophobicContact CD2-CD2 3.92Å; Y275-L320 HydrophobicContact CD2-CG 3.78Å; Y275-L320 HydrophobicContact CE1-CD1 4.49Å; Y275-L320 HydrophobicContact CE2-CD1 3.9Å; Y275-L320 HydrophobicContact CE2-CD2 3.84Å; Y275-L320 HydrophobicContact CE2-CG 3.56Å; Y275-L320 HydrophobicContact CG-CD1 3.84Å; Y275-L320 HydrophobicContact CG-CG 4.42Å
276F96.6Very high92.9Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-56-47.1170.8-52.1-19000109.9W169 Y229 L230 F233 V268 A272 F273 K278 M279 L280W169-F276 HydrophobicContact CD2-CD2 4.49Å; W169-F276 HydrophobicContact CE3-CB 3.93Å; W169-F276 HydrophobicContact CE3-CD2 4.19Å; W169-F276 HydrophobicContact CH2-CB 4.3Å; W169-F276 HydrophobicContact CZ3-CB 3.55Å; W169-F276 HydrophobicContact CZ3-CD2 4.45Å; Y229-F276 AromaticContact CD1-CE2 3.89Å; Y229-F276 HydrophobicContact CD1-CE2 3.89Å; Y229-F276 AromaticContact CD1-CZ 3.93Å; Y229-F276 HydrophobicContact CD1-CZ 3.93Å; Y229-F276 HydrophobicContact CG-CE2 4.29Å; Y229-F276 AromaticContact CG-CZ 3.88Å; Y229-F276 HydrophobicContact CG-CZ 3.88Å; L230-F276 HydrophobicContact CD2-CD1 4.31Å; L230-F276 HydrophobicContact CD2-CE1 4.12Å; L230-F276 HydrophobicContact CG-CE1 4.29Å; F233-F276 AromaticContact CD2-CD1 3.82Å; F233-F276 HydrophobicContact CD2-CD1 3.82Å; F233-F276 HydrophobicContact CD2-CE1 4.28Å; F233-F276 HydrophobicContact CD2-CG 4.11Å; F233-F276 HydrophobicContact CE1-CB 4Å; F233-F276 HydrophobicContact CE2-CB 4Å; F233-F276 AromaticContact CE2-CD1 3.89Å; F233-F276 HydrophobicContact CE2-CD1 3.89Å; F233-F276 HydrophobicContact CE2-CD2 4.04Å; F233-F276 HydrophobicContact CE2-CE1 4.48Å; F233-F276 AromaticContact CE2-CG 3.69Å; F233-F276 HydrophobicContact CE2-CG 3.69Å; F233-F276 HydrophobicContact CG-CD1 4.33Å; F233-F276 HydrophobicContact CZ-CB 3.72Å; F233-F276 HydrophobicContact CZ-CD1 4.47Å; F233-F276 HydrophobicContact CZ-CD2 4.43Å; F233-F276 AromaticContact CZ-CG 3.96Å; F233-F276 HydrophobicContact CZ-CG 3.96Å; V268-F276 HydrophobicContact CG1-CE2 4Å; V268-F276 HydrophobicContact CG1-CZ 3.89Å; A272-F276 HydrophobicContact CB-CE1 4.02Å; A272-F276 HydrophobicContact CB-CE2 4.36Å; A272-F276 HydrophobicContact CB-CZ 3.7Å; A272-F276 WeakPolarHBondContact O-CD1 3.35Å; A272-F276 WeakPolarHBondContact O-CG 3.31Å; A272-F276 PolarHBondContact O-N 3.36Å; F273-F276 HydrophobicContact CD1-CD2 4.03Å; F273-F276 HydrophobicContact CD1-CE2 4.11Å; F273-F276 HydrophobicContact CE1-CE2 4.36Å; F273-F276 HydrophobicContact CG-CD2 4.39Å; F273-F276 HydrophobicContact CG-CE2 4.39Å; F276-K278 PolarHBondContact O-N 3.17Å; F276-M279 HydrophobicContact CD1-CE 3.94Å; F276-M279 PolarHBondContact O-N 2.86Å; F276-L280 WeakPolarHBondContact O-CG 3.46Å; F276-L280 PolarHBondContact O-N 3.03Å; F276-L280 VanDerWaalsContact O-N 3.12Å
277M97Very high93.5Very high0 Ų036.6 Ų36.60%019%0.19CC..Hα-helixtrans-59.2-47.2175.7-16969.3-94.500112.1F273 Y275 M279 L280 M281 L288 V290 V308 A311 L312F273-M277 WeakPolarHBondContact O-CB 3.16Å; F273-M277 PolarHBondContact O-N 2.88Å; Y275-M277 VanDerWaalsContact C-N 3.27Å; Y275-M277 PolarHBondContact O-N 2.91Å; M277-M279 VanDerWaalsContact C-N 3.29Å; M277-M279 PolarHBondContact O-N 3.14Å; M277-L280 HydrophobicContact CE-CB 4.03Å; M277-L280 PolarHBondContact O-N 3.38Å; M277-L280 VanDerWaalsContact O-N 3.09Å; M277-M281 HydrophobicContact CE-CG 3.91Å; M277-M281 HydrophobicContact CG-CG 4.49Å; M277-M281 HydrophobicContact CG-SD 4.37Å; M277-M281 VanDerWaalsContact O-CG 3.31Å; M277-M281 WeakPolarHBondContact O-CG 3.47Å; M277-M281 PolarHBondContact O-N 3.35Å; M277-L288 HydrophobicContact CE-CD1 3.46Å; M277-L288 VanDerWaalsContact CE-CD1 3.46Å; M277-L288 HydrophobicContact CE-CD2 3.39Å; M277-L288 HydrophobicContact CE-CG 4.01Å; M277-L288 HydrophobicContact SD-CD1 4Å; M277-V290 HydrophobicContact SD-CG2 3.69Å; M277-V308 HydrophobicContact CG-CG1 4.08Å; M277-V308 HydrophobicContact SD-CG1 3.93Å; M277-A311 HydrophobicContact CB-CB 3.75Å; M277-A311 HydrophobicContact CG-CB 3.75Å; M277-L312 HydrophobicContact CE-CD2 4.48Å; M277-L312 HydrophobicContact CG-CD2 4.42Å; M277-L312 HydrophobicContact CG-CG 4.16Å; M277-L312 HydrophobicContact SD-CD2 4.28Å; M277-L312 HydrophobicContact SD-CG 4.28Å
278K95.3Very high94.2Very high88 Ų8829.4 Ų29.438%0.38316%0.163SC..Hα-helixtrans-60.4-33.7176.5-83.8-164.1178.3-176.70113.8G274 Y275 F276 P282 A311 L317G274-K278 PolarHBondContact O-N 3.25Å; Y275-K278 PolarHBondContact O-N 2.89Å; F276-K278 PolarHBondContact O-N 3.17Å; K278-P282 WeakPolarHBondContact O-CD 3.46Å; K278-A311 HydrophobicContact CG-CB 4Å; K278-L317 HydrophobicContact CD-CD1 3.71Å; K278-L317 HydrophobicContact CD-CG 4.34Å; K278-L317 HydrophobicContact CG-CD1 4.02Å
279M95Very high94.7Very high43 Ų4329.4 Ų29.421%0.21216%0.163CC..Hα-helixtrans-71.9-29.3175.6-70.5-175.8-66.100112.7L230 F233 R234 V238 Y275 F276 M277L230-M279 HydrophobicContact CD2-CE 3.66Å; L230-M279 HydrophobicContact CD2-SD 4.45Å; F233-M279 HydrophobicContact CB-CE 3.41Å; F233-M279 VanDerWaalsContact CB-CE 3.41Å; F233-M279 HydrophobicContact CB-SD 4.06Å; F233-M279 HydrophobicContact CD1-CE 3.8Å; F233-M279 HydrophobicContact CD2-CE 4.44Å; F233-M279 HydrophobicContact CG-CE 3.62Å; R234-M279 HydrophobicContact CG-SD 4.31Å; V238-M279 HydrophobicContact CG2-CB 4.04Å; Y275-M279 WeakPolarHBondContact O-CG 3.48Å; Y275-M279 PolarHBondContact O-N 3.28Å; F276-M279 HydrophobicContact CD1-CE 3.94Å; F276-M279 PolarHBondContact O-N 2.86Å; M277-M279 VanDerWaalsContact C-N 3.29Å; M277-M279 PolarHBondContact O-N 3.14Å
280L96.2Very high95Very high1 Ų128.6 Ų28.61%0.00516%0.157CC..Hα-helixtrans-84.6-29.9179-63.6178.3000114.1I167 W169 F233 I237 V251 F276 M277 P282 I283I167-L280 HydrophobicContact CB-CD1 4.23Å; I167-L280 HydrophobicContact CG1-CD1 4.11Å; I167-L280 HydrophobicContact CG1-CD2 3.93Å; I167-L280 HydrophobicContact CG2-CD1 4.18Å; W169-L280 HydrophobicContact CZ3-CD1 4.05Å; F233-L280 HydrophobicContact CE1-CD1 4.14Å; F233-L280 HydrophobicContact CE1-CD2 3.97Å; F233-L280 HydrophobicContact CE1-CG 3.99Å; I237-L280 HydrophobicContact CG2-CD2 4.18Å; V251-L280 HydrophobicContact CG2-CD1 3.76Å; F276-L280 WeakPolarHBondContact O-CG 3.46Å; F276-L280 PolarHBondContact O-N 3.03Å; F276-L280 VanDerWaalsContact O-N 3.12Å; M277-L280 HydrophobicContact CE-CB 4.03Å; M277-L280 PolarHBondContact O-N 3.38Å; M277-L280 VanDerWaalsContact O-N 3.09Å; L280-P282 VanDerWaalsContact C-CD 3.47Å; L280-I283 HydrophobicContact CB-CD1 4.39Å; L280-I283 HydrophobicContact CD2-CD1 3.56Å; L280-I283 WeakPolarHBondContact O-CB 3.39Å; L280-I283 WeakPolarHBondContact O-CG1 3.29Å; L280-I283 PolarHBondContact O-N 2.75Å
281M95.5Very high95.3Very high11 Ų1128 Ų285%0.05415%0.153CC..THydrogen-bonded Turntrans-53-39.7-176.8-76.1168.375.800115.4M277 I283 S286 L288 A311 L312 H314M277-M281 HydrophobicContact CE-CG 3.91Å; M277-M281 HydrophobicContact CG-CG 4.49Å; M277-M281 HydrophobicContact CG-SD 4.37Å; M277-M281 VanDerWaalsContact O-CG 3.31Å; M277-M281 WeakPolarHBondContact O-CG 3.47Å; M277-M281 PolarHBondContact O-N 3.35Å; M281-I283 PolarHBondContact O-N 3.05Å; M281-S286 WeakPolarHBondContact O-CA 3.49Å; M281-S286 PolarHBondContact O-N 2.87Å; M281-S286 PolarHBondContact O-OG 3.36Å; M281-L288 HydrophobicContact CB-CD2 4.34Å; M281-L288 HydrophobicContact CG-CD2 3.71Å; M281-A311 WeakPolarHBondContact CE-O 3.43Å; M281-A311 HydrophobicContact SD-CB 4.42Å; M281-L312 HydrophobicContact CE-CD2 4.39Å; M281-L312 HydrophobicContact CG-CD2 4.35Å; M281-L312 HydrophobicContact SD-CD2 4.33Å; M281-H314 WeakPolarHBondContact CE-CE1 3.41Å
282P94.3Very high95.5Very high92 Ų9225.1 Ų25.160%0.59714%0.14SC*.THydrogen-bonded Turntrans-69.9-29.2180-2235.2000114.3K278 L280 A284 G285K278-P282 WeakPolarHBondContact O-CD 3.46Å; L280-P282 VanDerWaalsContact C-CD 3.47Å; P282-A284 PolarHBondContact O-N 3.09Å; P282-G285 PolarHBondContact O-N 3.34Å; P282-G285 VanDerWaalsContact O-N 3.08Å
283I94.5Very high95.6Very high20 Ų2025.1 Ų25.110%0.10314%0.14CC..THydrogen-bonded Turntrans-56.7-45.2-161.2-62.7175.5000113L165 A241 P246 V249 L280 M281L165-I283 HydrophobicContact CD2-CG2 4.29Å; A241-I283 HydrophobicContact CB-CD1 3.74Å; A241-I283 HydrophobicContact CB-CG1 4.49Å; A241-I283 HydrophobicContact CB-CG2 3.89Å; P246-I283 HydrophobicContact CG-CG2 3.56Å; V249-I283 HydrophobicContact CG2-CB 4.4Å; V249-I283 HydrophobicContact CG2-CG2 4.26Å; L280-I283 HydrophobicContact CB-CD1 4.39Å; L280-I283 HydrophobicContact CD2-CD1 3.56Å; L280-I283 WeakPolarHBondContact O-CB 3.39Å; L280-I283 WeakPolarHBondContact O-CG1 3.29Å; L280-I283 PolarHBondContact O-N 2.75Å; M281-I283 PolarHBondContact O-N 3.05Å
284A93.9Very high95.5Very high5 Ų525.1 Ų25.14%0.04114%0.14CC..THydrogen-bonded Turntrans-11430178.900000112.4P246 V249 P282 S286 R287P246-A284 WeakPolarHBondContact O-CB 3.22Å; V249-A284 HydrophobicContact CG2-CB 3.83Å; P282-A284 PolarHBondContact O-N 3.09Å; A284-S286 VanDerWaalsContact C-N 3.34Å; A284-S286 PolarHBondContact O-N 2.96Å; A284-R287 HydrophobicContact CB-CB 4.27Å; A284-R287 VanDerWaalsContact O-CB 3.3Å; A284-R287 WeakPolarHBondContact O-CB 3.35Å; A284-R287 WeakPolarHBondContact O-CG 3.3Å; A284-R287 PolarHBondContact O-N 2.86Å; A284-R287 VanDerWaalsContact O-N 3.08Å; A284-R287 PolarHBondContact O-NE 2.77Å
285G90.1Very high95.4Very high62 Ų6225.1 Ų25.164%0.63914%0.14SC*.THydrogen-bonded Turntrans61.341.5-17600000112.7P282 R287P282-G285 PolarHBondContact O-N 3.34Å; P282-G285 VanDerWaalsContact O-N 3.08Å; G285-R287 PolarHBondContact O-N 3.4Å; G285-R287 VanDerWaalsContact O-N 3.17Å
286S89Confident95.3Very high31 Ų3122.6 Ų22.622%0.21713%0.13CC..THydrogen-bonded Turntrans60.612.8-172.6-53.20000115.7A121 G122 M281 A284 L288A121-S286 CarbonylContact C-O 3.58Å; G122-S286 PolarHBondContact N-O 2.85Å; M281-S286 WeakPolarHBondContact O-CA 3.49Å; M281-S286 PolarHBondContact O-N 2.87Å; M281-S286 PolarHBondContact O-OG 3.36Å; A284-S286 VanDerWaalsContact C-N 3.34Å; A284-S286 PolarHBondContact O-N 2.96Å; S286-L288 VanDerWaalsContact C-N 3.26Å; S286-L288 PolarHBondContact O-N 3.21Å
287R96.5Very high95.2Very high99 Ų9923.6 Ų23.637%0.37414%0.137SC..  trans-74.482.1168.4-64.6-174.1-57.7-115.6-5.5110.5V115 D247 V249 A284 G285V115-R287 HydrophobicContact CG1-CB 3.8Å; V115-R287 HydrophobicContact CG1-CG 4.25Å; D247-R287 PolarHBondContact O-NE 3.38Å; D247-R287 PolarHBondContact O-NH2 3.23Å; D247-R287 VanDerWaalsContact O-NH2 3.14Å; V249-R287 PolarHBondContact N-O 2.7Å; A284-R287 HydrophobicContact CB-CB 4.27Å; A284-R287 VanDerWaalsContact O-CB 3.3Å; A284-R287 WeakPolarHBondContact O-CB 3.35Å; A284-R287 WeakPolarHBondContact O-CG 3.3Å; A284-R287 PolarHBondContact O-N 2.86Å; A284-R287 VanDerWaalsContact O-N 3.08Å; A284-R287 PolarHBondContact O-NE 2.77Å; G285-R287 PolarHBondContact O-N 3.4Å; G285-R287 VanDerWaalsContact O-N 3.17Å
288L97.6Very high95.1Very high1 Ų124.6 Ų24.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-135.3149.4-17879.494.6000114.3G122 C123 V249 M277 M281 S286 V290 L312G122-L288 CarbonylContact C-O 3.51Å; G122-L288 VanDerWaalsContact CA-O 3.22Å; G122-L288 WeakPolarHBondContact CA-O 3.48Å; C123-L288 PolarHBondContact N-O 2.85Å; V249-L288 HydrophobicContact CB-CB 4.06Å; V249-L288 CarbonylContact O-C 3.58Å; V249-L288 WeakPolarHBondContact O-CA 3.32Å; M277-L288 HydrophobicContact CE-CD1 3.46Å; M277-L288 VanDerWaalsContact CE-CD1 3.46Å; M277-L288 HydrophobicContact CE-CD2 3.39Å; M277-L288 HydrophobicContact CE-CG 4.01Å; M277-L288 HydrophobicContact SD-CD1 4Å; M281-L288 HydrophobicContact CB-CD2 4.34Å; M281-L288 HydrophobicContact CG-CD2 3.71Å; S286-L288 VanDerWaalsContact C-N 3.26Å; S286-L288 PolarHBondContact O-N 3.21Å; L288-V290 HydrophobicContact CD1-CG2 3.54Å; L288-L312 HydrophobicContact CD1-CD2 4.05Å; L288-L312 HydrophobicContact CD2-CD2 4.02Å; L288-L312 HydrophobicContact CG-CD2 4.34Å
289V98.5Very high95Very high0 Ų025 Ų250%015%0.149CC..EExtended strand (participates in β ladder)trans-128.7118175.2177.30000109.8V108 A111 V115 C123 V249 F250 V251V108-V289 HydrophobicContact CG1-CG1 3.93Å; A111-V289 HydrophobicContact CB-CG1 3.72Å; A111-V289 HydrophobicContact CB-CG2 4.19Å; V115-V289 HydrophobicContact CB-CG2 4.33Å; V115-V289 HydrophobicContact CG2-CG2 4.06Å; C123-V289 WeakPolarHBondContact O-CA 3.44Å; V249-V289 PolarHBondContact O-N 3.35Å; F250-V289 CarbonylContact C-O 3.5Å; F250-V289 WeakPolarHBondContact CA-O 3.35Å; F250-V289 HydrophobicContact CD1-CB 3.79Å; F250-V289 HydrophobicContact CD1-CG1 4.1Å; F250-V289 HydrophobicContact CE1-CB 3.92Å; F250-V289 HydrophobicContact CE1-CG1 4.12Å; F250-V289 HydrophobicContact CE1-CG2 4.33Å; V251-V289 PolarHBondContact N-O 2.97Å
290V98.2Very high95Very high3 Ų323.5 Ų23.52%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-93.6122.4173.4-171.20000108.6C123 V124 A125 V251 A253 M277 L288 V308 L312C123-V290 PolarHBondContact O-N 2.77Å; V124-V290 CarbonylContact C-O 3.52Å; V124-V290 WeakPolarHBondContact CA-O 3.39Å; V124-V290 HydrophobicContact CG1-CB 4.36Å; V124-V290 HydrophobicContact CG2-CB 4.25Å; V124-V290 HydrophobicContact CG2-CG2 4.42Å; A125-V290 PolarHBondContact N-O 3.15Å; V251-V290 HydrophobicContact CB-CG1 4.39Å; V251-V290 HydrophobicContact CB-CG2 4.42Å; A253-V290 HydrophobicContact CB-CG1 3.43Å; A253-V290 VanDerWaalsContact CB-CG1 3.43Å; M277-V290 HydrophobicContact SD-CG2 3.69Å; L288-V290 HydrophobicContact CD1-CG2 3.54Å; V290-V308 HydrophobicContact CG1-CG1 4.26Å; V290-V308 HydrophobicContact CG2-CG1 4.26Å; V290-L312 HydrophobicContact CG2-CD1 4.36Å
291A97.8Very high95Very high0 Ų023.4 Ų23.40%014%0.143CC..EExtended strand (participates in β ladder)trans-114.9129.8175.200000110V108 V148 V251 A253 E293V108-A291 HydrophobicContact CG1-CB 4.29Å; V108-A291 HydrophobicContact CG2-CB 3.84Å; V148-A291 HydrophobicContact CG2-CB 3.7Å; V251-A291 PolarHBondContact O-N 3.05Å; A253-A291 WeakPolarHBondContact CA-O 3.3Å; A253-A291 WeakPolarHBondContact CB-O 3.47Å; A253-A291 PolarHBondContact N-O 3.4Å; A291-E293 PolarHBondContact O-N 2.96Å
292L97.2Very high95Very high4 Ų424.6 Ų24.62%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-68.7128.8-179.817861.8000111.9L29 A125 F255 L301L29-L292 HydrophobicContact CD1-CD2 4.07Å; A125-L292 PolarHBondContact O-N 3.17Å; A125-L292 VanDerWaalsContact O-N 3.09Å; F255-L292 HydrophobicContact CD2-CD1 3.75Å; F255-L292 HydrophobicContact CE2-CD1 3.77Å; L292-L301 HydrophobicContact CD1-CD1 3.78Å
293E95.7Very high95.1Very high0 Ų025.2 Ų25.20%014%0.138CC..  trans-110.2-121.4173.9-56.4-68.3171.300111R28 N131 H132 D170 A253 A291R28-E293 PolarHBondContact NH1-O 3.05Å; R28-E293 VanDerWaalsContact NH1-O 3.1Å; R28-E293 PolarHBondContact NH2-O 2.7Å; N131-E293 WeakPolarHBondContact CA-OE2 3.38Å; N131-E293 PolarHBondContact N-OE2 3.43Å; N131-E293 PolarHBondContact ND2-OE1 2.84Å; N131-E293 PolarHBondContact ND2-OE2 2.89Å; N131-E293 PolarHBondContact OD1-OE1 3.46Å; H132-E293 IonicContact CD2-OE2 2.9Å; H132-E293 IonicContact CG-OE2 3.24Å; H132-E293 PolarHBondContact N-OE2 3.13Å; D170-E293 HydrophobicContact CB-CB 4.36Å; D170-E293 VanDerWaalsContact OD2-CB 3.24Å; D170-E293 WeakPolarHBondContact OD2-CB 3.45Å; A253-E293 PolarHBondContact O-N 2.88Å; A291-E293 PolarHBondContact O-N 2.96Å
294G94.2Very high95.3Very high0 Ų024.3 Ų24.30%013%0.133CC..  trans-80-164.317700000114.7R28 D170 F255 D256R28-G294 PolarHBondContact NH2-O 3.06Å; D170-G294 VanDerWaalsContact OD2-CA 3.31Å; D170-G294 WeakPolarHBondContact OD2-CA 3.5Å; D170-G294 PolarHBondContact OD2-N 3.21Å; F255-G294 PolarHBondContact N-O 3.19Å; D256-G294 VanDerWaalsContact OD2-C 3.32Å; D256-G294 VanDerWaalsContact OD2-CA 3.25Å; D256-G294 WeakPolarHBondContact OD2-CA 3.36Å
295G95.1Very high95.5Very high0 Ų024.2 Ų24.20%013%0.132CC..  trans109.1101.3-169.500000112.6R28 F255 D256R28-G295 PolarHBondContact NE-O 3.12Å; R28-G295 PolarHBondContact NH2-O 3.49Å; F255-G295 VanDerWaalsContact C-CA 3.43Å; D256-G295 VanDerWaalsContact CG-N 3.33Å; D256-G295 VanDerWaalsContact N-CA 3.31Å; D256-G295 PolarHBondContact OD2-N 3.41Å
296Y94.3Very high95.8Very high15 Ų1523.1 Ų23.16%0.05911%0.109CC..  trans-109.5-19.1-165.9-52.6-73.7000113.9E23 E24 R130 F142 Y172 D256 L263 V298E23-Y296 HydrophobicContact CB-CD1 3.67Å; E23-Y296 HydrophobicContact CB-CE1 4.47Å; E23-Y296 HydrophobicContact CB-CG 3.98Å; E24-Y296 HydrophobicContact CB-CE1 4.15Å; E24-Y296 WeakPolarHBondContact OE2-CE1 3.46Å; R130-Y296 WeakPolarHBondContact CD-OH 3.12Å; R130-Y296 PolarHBondContact NE-OH 2.73Å; R130-Y296 PolarHBondContact NH1-OH 3.24Å; F142-Y296 HydrophobicContact CE2-CE1 4.47Å; Y172-Y296 HydrophobicContact CE2-CE2 4.12Å; D256-Y296 HydrophobicContact CB-CD2 3.98Å; D256-Y296 HydrophobicContact CB-CE2 4.01Å; D256-Y296 WeakPolarHBondContact OD2-CE2 3.26Å; L263-Y296 HydrophobicContact CB-CD2 4.35Å; L263-Y296 HydrophobicContact CD1-CD2 3.68Å; L263-Y296 HydrophobicContact CD1-CE2 3.89Å; L263-Y296 HydrophobicContact CD1-CG 4.1Å; L263-Y296 HydrophobicContact CG-CD2 4.11Å; Y296-V298 PolarHBondContact O-N 3.18Å; Y296-V298 VanDerWaalsContact O-N 3.13Å
297S93.7Very high96.3Very high21 Ų2121.7 Ų21.715%0.14710%0.099CC..  trans-69.9105.5158.7172.20000108.8G260 D299 S300 L301G260-S297 WeakPolarHBondContact O-CB 3.49Å; S297-D299 PolarHBondContact O-N 3.49Å; S297-S300 WeakPolarHBondContact CB-OG 3.45Å; S297-S300 PolarHBondContact O-N 3.24Å; S297-S300 WeakPolarHBondContact OG-CB 3.44Å; S297-S300 PolarHBondContact OG-N 3.42Å; S297-S300 VanDerWaalsContact OG-N 3.09Å; S297-S300 PolarHBondContact OG-OG 2.92Å; S297-L301 WeakPolarHBondContact O-CB 3.47Å; S297-L301 PolarHBondContact O-N 3.11Å
298V93.9Very high96.3Very high21 Ų2117.1 Ų17.113%0.1278%0.082CC..Hα-helixtrans-60.7-32.2178.7176.80000111.6K27 V31 Y296 K302K27-V298 HydrophobicContact CD-CG2 4.27Å; K27-V298 HydrophobicContact CG-CG1 4.29Å; K27-V298 HydrophobicContact CG-CG2 4.23Å; V31-V298 HydrophobicContact CB-CG1 3.62Å; V31-V298 HydrophobicContact CG1-CG1 3.65Å; V31-V298 HydrophobicContact CG2-CG1 3.99Å; Y296-V298 PolarHBondContact O-N 3.18Å; Y296-V298 VanDerWaalsContact O-N 3.13Å; V298-K302 PolarHBondContact O-N 3.4Å
299D93.7Very high96.4Very high95 Ų9517 Ų1751%0.5088%0.081SC..Hα-helixtrans-72.4-45.7176.4-72-50000111.7S297 K302 W303S297-D299 PolarHBondContact O-N 3.49Å; D299-K302 WeakPolarHBondContact O-CG 3.16Å; D299-K302 VanDerWaalsContact OD1-CE 3.32Å; D299-K302 WeakPolarHBondContact OD1-CE 3.49Å; D299-K302 IonicContact OD1-NZ 2.77Å; D299-K302 PolarHBondContact OD1-NZ 3Å; D299-W303 PolarHBondContact O-N 3.16Å
300S94.2Very high96.3Very high12 Ų1219.3 Ų19.38%0.0849%0.09CC..Hα-helixtrans-66.8-44.1178.1-44.80000110.8V259 S297 K302 W303 S304V259-S300 WeakPolarHBondContact O-CB 3.31Å; V259-S300 PolarHBondContact O-OG 3.45Å; S297-S300 WeakPolarHBondContact CB-OG 3.45Å; S297-S300 PolarHBondContact O-N 3.24Å; S297-S300 WeakPolarHBondContact OG-CB 3.44Å; S297-S300 PolarHBondContact OG-N 3.42Å; S297-S300 VanDerWaalsContact OG-N 3.09Å; S297-S300 PolarHBondContact OG-OG 2.92Å; S300-K302 PolarHBondContact O-N 3.39Å; S300-W303 PolarHBondContact O-N 3Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 PolarHBondContact O-OG 3.39Å
301L96.6Very high96.2Very high0 Ų019.2 Ų19.20%09%0.089CC..Hα-helixtrans-52.8-53.1176.6172.563.1000112.6R28 T32 F255 L292 S297 W303 S304 V305R28-L301 HydrophobicContact CB-CD2 3.77Å; R28-L301 HydrophobicContact CG-CD2 4.38Å; R28-L301 WeakPolarHBondContact O-CD2 3.49Å; T32-L301 WeakPolarHBondContact OG1-CG 3.42Å; F255-L301 HydrophobicContact CB-CD1 3.81Å; F255-L301 HydrophobicContact CD2-CD1 3.37Å; F255-L301 HydrophobicContact CE2-CD1 4.24Å; F255-L301 HydrophobicContact CG-CD1 3.89Å; L292-L301 HydrophobicContact CD1-CD1 3.78Å; S297-L301 WeakPolarHBondContact O-CB 3.47Å; S297-L301 PolarHBondContact O-N 3.11Å; L301-W303 VanDerWaalsContact C-N 3.28Å; L301-W303 PolarHBondContact O-N 2.75Å; L301-S304 PolarHBondContact O-N 3.47Å; L301-V305 HydrophobicContact CD1-CG2 3.9Å; L301-V305 WeakPolarHBondContact O-CB 3.44Å; L301-V305 WeakPolarHBondContact O-CG2 3.03Å; L301-V305 PolarHBondContact O-N 2.86Å
302K96.1Very high96.2Very high36 Ų3619.3 Ų19.316%0.1579%0.09CC..Hα-helixtrans-65.4-33.3-177.279.4-165.7-177.8-167.30112V31 H35 V298 D299 S300 R306V31-K302 HydrophobicContact CG1-CD 3.88Å; H35-K302 HydrophobicContact CB-CB 4.06Å; H35-K302 HydrophobicContact CB-CD 4.24Å; H35-K302 HydrophobicContact CB-CG 4.3Å; H35-K302 PolarHBondContact CD2-O 3.29Å; V298-K302 PolarHBondContact O-N 3.4Å; D299-K302 WeakPolarHBondContact O-CG 3.16Å; D299-K302 VanDerWaalsContact OD1-CE 3.32Å; D299-K302 WeakPolarHBondContact OD1-CE 3.49Å; D299-K302 IonicContact OD1-NZ 2.77Å; D299-K302 PolarHBondContact OD1-NZ 3Å; S300-K302 PolarHBondContact O-N 3.39Å; K302-R306 VanDerWaalsContact O-CB 3.3Å; K302-R306 WeakPolarHBondContact O-CB 3.5Å; K302-R306 PolarHBondContact O-N 3.1Å; K302-R306 VanDerWaalsContact O-N 3.11Å
303W97.1Very high96.2Very high105 Ų10520.1 Ų20.140%0.3989%0.094SC..Hα-helixtrans-72.9-38175.8-83.9108.7000112.3P270 D299 S300 L301 R306 C307 F318P270-W303 HydrophobicContact CB-CB 3.54Å; P270-W303 HydrophobicContact CG-CB 3.92Å; D299-W303 PolarHBondContact O-N 3.16Å; S300-W303 PolarHBondContact O-N 3Å; L301-W303 VanDerWaalsContact C-N 3.28Å; L301-W303 PolarHBondContact O-N 2.75Å; W303-R306 WeakPolarHBondContact O-CB 3.3Å; W303-R306 PolarHBondContact O-N 3.49Å; W303-C307 PolarHBondContact O-N 3.29Å; W303-C307 VanDerWaalsContact O-N 3.09Å; W303-C307 PolarHBondContact O-SG 3.01Å; W303-F318 HydrophobicContact CZ3-CE2 4.26Å; W303-F318 HydrophobicContact CZ3-CZ 4.2Å
304S97.8Very high96.1Very high0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-70.1-45.1178.4-56.20000111.4P270 F273 S300 L301 R306 C307 V308P270-S304 WeakPolarHBondContact CA-OG 3.42Å; F273-S304 WeakPolarHBondContact CD2-OG 3.46Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 PolarHBondContact O-OG 3.39Å; L301-S304 PolarHBondContact O-N 3.47Å; S304-R306 VanDerWaalsContact C-N 3.3Å; S304-R306 PolarHBondContact O-N 3.31Å; S304-C307 PolarHBondContact O-N 3.14Å; S304-V308 PolarHBondContact O-N 2.66Å
305V98.2Very high96.2Very high4 Ų427.2 Ų27.22%0.02413%0.128CC..Hα-helixtrans-61.1-39.2174.7171.60000111.1T32 L126 F255 L301 C307 V308 I309T32-V305 HydrophobicContact CG2-CB 3.72Å; T32-V305 HydrophobicContact CG2-CG1 3.62Å; T32-V305 HydrophobicContact CG2-CG2 3.88Å; L126-V305 HydrophobicContact CD2-CG1 3.88Å; F255-V305 HydrophobicContact CD2-CG2 3.88Å; F255-V305 HydrophobicContact CE2-CG2 3.41Å; F255-V305 VanDerWaalsContact CE2-CG2 3.41Å; F255-V305 HydrophobicContact CZ-CG2 3.75Å; L301-V305 HydrophobicContact CD1-CG2 3.9Å; L301-V305 WeakPolarHBondContact O-CB 3.44Å; L301-V305 WeakPolarHBondContact O-CG2 3.03Å; L301-V305 PolarHBondContact O-N 2.86Å; V305-C307 VanDerWaalsContact C-N 3.32Å; V305-C307 PolarHBondContact O-N 3.3Å; V305-V308 PolarHBondContact O-N 3.13Å; V305-I309 HydrophobicContact CG1-CD1 3.76Å; V305-I309 HydrophobicContact CG1-CG1 4.43Å; V305-I309 WeakPolarHBondContact O-CB 3.39Å; V305-I309 WeakPolarHBondContact O-CG1 3.44Å; V305-I309 PolarHBondContact O-N 3.1Å
306R97.4Very high96.1Very high39 Ų3931.8 Ų31.815%0.14716%0.157CC..Hα-helixtrans-54.7-45.9169.2161.6-178-170.6170.97.1111.7L39 L41 K302 W303 S304 I309 R310L39-R306 HydrophobicContact CD1-CG 4.21Å; L41-R306 HydrophobicContact CD1-CB 4.29Å; L41-R306 HydrophobicContact CD1-CG 3.94Å; K302-R306 VanDerWaalsContact O-CB 3.3Å; K302-R306 WeakPolarHBondContact O-CB 3.5Å; K302-R306 PolarHBondContact O-N 3.1Å; K302-R306 VanDerWaalsContact O-N 3.11Å; W303-R306 WeakPolarHBondContact O-CB 3.3Å; W303-R306 PolarHBondContact O-N 3.49Å; S304-R306 VanDerWaalsContact C-N 3.3Å; S304-R306 PolarHBondContact O-N 3.31Å; R306-I309 PolarHBondContact O-N 2.79Å; R306-R310 WeakPolarHBondContact O-CB 3.37Å; R306-R310 VanDerWaalsContact O-CG 3.29Å; R306-R310 WeakPolarHBondContact O-CG 3.42Å; R306-R310 PolarHBondContact O-N 2.75Å
307C97.9Very high95.9Very high1 Ų132.3 Ų32.31%0.00716%0.161CC..Hα-helixtrans-70.7-36.8-177.4-640000112.7P270 W303 S304 V305 R310 A311P270-C307 VanDerWaalsContact O-CB 3.28Å; P270-C307 WeakPolarHBondContact O-CB 3.38Å; P270-C307 PolarHBondContact O-SG 3.22Å; W303-C307 PolarHBondContact O-N 3.29Å; W303-C307 VanDerWaalsContact O-N 3.09Å; W303-C307 PolarHBondContact O-SG 3.01Å; S304-C307 PolarHBondContact O-N 3.14Å; V305-C307 VanDerWaalsContact C-N 3.32Å; V305-C307 PolarHBondContact O-N 3.3Å; C307-R310 PolarHBondContact O-N 2.64Å; C307-A311 PolarHBondContact O-N 2.81Å
308V98.3Very high95.7Very high2 Ų234.8 Ų34.81%0.01217%0.169CC..Hα-helixtrans-62.8-46.8171.5172.40000111.4W169 F255 F273 M277 V290 S304 V305 R310 A311 L312W169-V308 HydrophobicContact CH2-CG2 4.19Å; W169-V308 HydrophobicContact CZ2-CG2 3.99Å; F255-V308 HydrophobicContact CE1-CG2 3.93Å; F255-V308 HydrophobicContact CZ-CG2 4.08Å; F273-V308 HydrophobicContact CB-CG2 3.89Å; M277-V308 HydrophobicContact CG-CG1 4.08Å; M277-V308 HydrophobicContact SD-CG1 3.93Å; V290-V308 HydrophobicContact CG1-CG1 4.26Å; V290-V308 HydrophobicContact CG2-CG1 4.26Å; S304-V308 PolarHBondContact O-N 2.66Å; V305-V308 PolarHBondContact O-N 3.13Å; V308-R310 VanDerWaalsContact C-N 3.33Å; V308-R310 PolarHBondContact O-N 3.24Å; V308-A311 WeakPolarHBondContact O-CB 3.34Å; V308-A311 PolarHBondContact O-N 2.86Å; V308-L312 HydrophobicContact CG1-CD1 4.42Å; V308-L312 PolarHBondContact O-N 3.08Å; V308-L312 VanDerWaalsContact O-N 3.07Å
309I98Very high95.3Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-63.7-39.5177.1-70.4167.8000111.1C36 L41 L42 M45 V124 V305 R306 L312 L313C36-I309 HydrophobicContact CB-CD1 4.27Å; L41-I309 HydrophobicContact CB-CG2 3.83Å; L41-I309 HydrophobicContact CD1-CG2 4.35Å; L42-I309 HydrophobicContact CD2-CD1 3.89Å; M45-I309 HydrophobicContact CE-CG2 4.44Å; M45-I309 HydrophobicContact CG-CG2 4.47Å; M45-I309 HydrophobicContact SD-CB 4.42Å; M45-I309 HydrophobicContact SD-CD1 4.38Å; M45-I309 HydrophobicContact SD-CG1 4.13Å; M45-I309 HydrophobicContact SD-CG2 3.52Å; M45-I309 VanDerWaalsContact SD-CG2 3.52Å; V124-I309 HydrophobicContact CG2-CG1 4.36Å; V305-I309 HydrophobicContact CG1-CD1 3.76Å; V305-I309 HydrophobicContact CG1-CG1 4.43Å; V305-I309 WeakPolarHBondContact O-CB 3.39Å; V305-I309 WeakPolarHBondContact O-CG1 3.44Å; V305-I309 PolarHBondContact O-N 3.1Å; R306-I309 PolarHBondContact O-N 2.79Å; I309-L312 PolarHBondContact O-N 2.69Å; I309-L313 HydrophobicContact CG2-CD1 3.69Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.43Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.09Å
310R97.5Very high94.7Very high48 Ų4838 Ų3818%0.18118%0.18CC..Hα-helixtrans-60.3-44.1173.4-78.7-175.571.682-15.5112.2L41 R306 C307 V308 L312 L313 H314 D315 P316 L317L41-R310 HydrophobicContact CD1-CG 4.49Å; L41-R310 HydrophobicContact CD2-CG 4.12Å; R306-R310 WeakPolarHBondContact O-CB 3.37Å; R306-R310 VanDerWaalsContact O-CG 3.29Å; R306-R310 WeakPolarHBondContact O-CG 3.42Å; R306-R310 PolarHBondContact O-N 2.75Å; C307-R310 PolarHBondContact O-N 2.64Å; V308-R310 VanDerWaalsContact C-N 3.33Å; V308-R310 PolarHBondContact O-N 3.24Å; R310-L312 PolarHBondContact O-N 3.32Å; R310-L313 CarbonylContact O-C 3.59Å; R310-L313 PolarHBondContact O-N 2.78Å; R310-H314 PolarHBondContact O-N 3.4Å; R310-D315 HydrophobicContact CB-CB 3.86Å; R310-D315 HydrophobicContact CG-CB 4.07Å; R310-D315 IonicContact CZ-OD2 2.85Å; R310-D315 IonicContact NE-OD2 3.42Å; R310-D315 IonicContact NH1-OD2 3.96Å; R310-D315 PolarHBondContact NH1-OD2 3.08Å; R310-D315 WeakPolarHBondContact O-CB 3.08Å; R310-D315 PolarHBondContact O-N 3.42Å; R310-P316 VanDerWaalsContact CZ-O 3.27Å; R310-P316 PolarHBondContact NE-O 2.96Å; R310-P316 VanDerWaalsContact NE-O 3.08Å; R310-P316 PolarHBondContact NH2-O 2.95Å; R310-L317 HydrophobicContact CB-CD2 4.06Å
311A96.8Very high93.6Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-58.3-46.9175.300000111.7G274 M277 K278 M281 C307 V308 L313 H314 L317G274-A311 WeakPolarHBondContact O-CB 3.27Å; M277-A311 HydrophobicContact CB-CB 3.75Å; M277-A311 HydrophobicContact CG-CB 3.75Å; K278-A311 HydrophobicContact CG-CB 4Å; M281-A311 WeakPolarHBondContact CE-O 3.43Å; M281-A311 HydrophobicContact SD-CB 4.42Å; C307-A311 PolarHBondContact O-N 2.81Å; V308-A311 WeakPolarHBondContact O-CB 3.34Å; V308-A311 PolarHBondContact O-N 2.86Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.38Å; A311-H314 WeakPolarHBondContact O-CA 3.39Å; A311-H314 PolarHBondContact O-N 3.07Å; A311-L317 HydrophobicContact CB-CD2 4.23Å
312L96.4Very high92Very high3 Ų346.7 Ų46.72%0.01623%0.232CC..Hα-helixtrans-65.1-30.9177.2-72.9171.6000114.4P3 V124 M277 M281 L288 V290 V308 I309 R310 H314P3-L312 HydrophobicContact CB-CB 4.13Å; P3-L312 HydrophobicContact CG-CB 4.33Å; V124-L312 HydrophobicContact CG2-CD1 3.32Å; M277-L312 HydrophobicContact CE-CD2 4.48Å; M277-L312 HydrophobicContact CG-CD2 4.42Å; M277-L312 HydrophobicContact CG-CG 4.16Å; M277-L312 HydrophobicContact SD-CD2 4.28Å; M277-L312 HydrophobicContact SD-CG 4.28Å; M281-L312 HydrophobicContact CE-CD2 4.39Å; M281-L312 HydrophobicContact CG-CD2 4.35Å; M281-L312 HydrophobicContact SD-CD2 4.33Å; L288-L312 HydrophobicContact CD1-CD2 4.05Å; L288-L312 HydrophobicContact CD2-CD2 4.02Å; L288-L312 HydrophobicContact CG-CD2 4.34Å; V290-L312 HydrophobicContact CG2-CD1 4.36Å; V308-L312 HydrophobicContact CG1-CD1 4.42Å; V308-L312 PolarHBondContact O-N 3.08Å; V308-L312 VanDerWaalsContact O-N 3.07Å; I309-L312 PolarHBondContact O-N 2.69Å; R310-L312 PolarHBondContact O-N 3.32Å; L312-H314 PolarHBondContact O-N 3.4Å
313L96.6Very high90.5Very high21 Ų2147.6 Ų47.611%0.1124%0.238CC..THydrogen-bonded Turntrans-80.62.1172.5-71.8169.7000113.1P3 L41 R44 M45 I309 R310 A311 D315P3-L313 HydrophobicContact CG-CD2 3.69Å; P3-L313 HydrophobicContact CG-CG 4.21Å; L41-L313 HydrophobicContact CB-CD1 4.41Å; L41-L313 HydrophobicContact CD2-CD1 4.08Å; R44-L313 HydrophobicContact CB-CD1 4.2Å; R44-L313 HydrophobicContact CB-CD2 3.86Å; M45-L313 HydrophobicContact CG-CD1 4.35Å; M45-L313 HydrophobicContact CG-CD2 4.04Å; M45-L313 HydrophobicContact CG-CG 4.37Å; I309-L313 HydrophobicContact CG2-CD1 3.69Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.43Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.09Å; R310-L313 CarbonylContact O-C 3.59Å; R310-L313 PolarHBondContact O-N 2.78Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.38Å; L313-D315 PolarHBondContact O-N 2.69Å
314H95.2Very high88.8Confident131 Ų13147.7 Ų47.761%0.60625%0.246SC*.THydrogen-bonded Turntrans56.524.1-172.3-60.3-94.9000114.4M281 R310 A311 L312M281-H314 WeakPolarHBondContact CE-CE1 3.41Å; R310-H314 PolarHBondContact O-N 3.4Å; A311-H314 WeakPolarHBondContact O-CA 3.39Å; A311-H314 PolarHBondContact O-N 3.07Å; L312-H314 PolarHBondContact O-N 3.4Å
315D95.9Very high87.2Confident18 Ų1850.7 Ų50.710%0.09627%0.265CS..PPolyproline II helixtrans-64.6155.9174.3-79-7.6000111.5R44 R310 L313 L317R44-D315 IonicContact CZ-OD1 3.32Å; R44-D315 IonicContact CZ-OD2 3.8Å; R44-D315 VanDerWaalsContact NH1-CG 3.34Å; R44-D315 IonicContact NH1-OD1 3.06Å; R44-D315 PolarHBondContact NH1-OD1 2.87Å; R44-D315 IonicContact NH1-OD2 2.84Å; R44-D315 PolarHBondContact NH1-OD2 2.89Å; R44-D315 IonicContact NH2-OD1 2.79Å; R44-D315 PolarHBondContact NH2-OD1 2.82Å; R44-D315 IonicContact NH2-OD2 3.23Å; R310-D315 HydrophobicContact CB-CB 3.86Å; R310-D315 HydrophobicContact CG-CB 4.07Å; R310-D315 IonicContact CZ-OD2 2.85Å; R310-D315 IonicContact NE-OD2 3.42Å; R310-D315 IonicContact NH1-OD2 3.96Å; R310-D315 PolarHBondContact NH1-OD2 3.08Å; R310-D315 WeakPolarHBondContact O-CB 3.08Å; R310-D315 PolarHBondContact O-N 3.42Å; L313-D315 PolarHBondContact O-N 2.69Å; D315-L317 PolarHBondContact O-N 3.24Å
316P93.5Very high85.6Confident96 Ų9656.1 Ų56.162%0.62330%0.3SS*.PPolyproline II helixtrans-55.1129.6162.3-24.534.7000110.8R310R310-P316 VanDerWaalsContact CZ-O 3.27Å; R310-P316 PolarHBondContact NE-O 2.96Å; R310-P316 VanDerWaalsContact NE-O 3.08Å; R310-P316 PolarHBondContact NH2-O 2.95Å
317L90.4Very high84.5Confident26 Ų2656.2 Ų56.214%0.13631%0.305CS..PPolyproline II helixtrans-85.7155.2171-61.5-179.7000109.4G274 Y275 K278 R310 A311 D315G274-L317 WeakPolarHBondContact O-CD1 3.1Å; Y275-L317 HydrophobicContact CD2-CB 4.42Å; Y275-L317 HydrophobicContact CD2-CD1 3.73Å; Y275-L317 HydrophobicContact CE2-CB 3.76Å; Y275-L317 HydrophobicContact CE2-CD1 3.86Å; Y275-L317 HydrophobicContact CE2-CG 4.49Å; Y275-L317 HydrophobicContact CG-CD1 4.08Å; K278-L317 HydrophobicContact CD-CD1 3.71Å; K278-L317 HydrophobicContact CD-CG 4.34Å; K278-L317 HydrophobicContact CG-CD1 4.02Å; R310-L317 HydrophobicContact CB-CD2 4.06Å; A311-L317 HydrophobicContact CB-CD2 4.23Å; D315-L317 PolarHBondContact O-N 3.24Å
318F88.2Confident83.4Confident72 Ų7257.8 Ų57.832%0.31632%0.315SS..PPolyproline II helixtrans-65.9139.6169.3-57.2-72.5000109.1Q271 Y275 W303Q271-F318 HydrophobicContact CB-CB 4.32Å; Q271-F318 HydrophobicContact CG-CB 3.55Å; Q271-F318 HydrophobicContact CG-CD2 4.06Å; Q271-F318 HydrophobicContact CG-CG 4.15Å; Y275-F318 WeakPolarHBondContact CE2-O 3.43Å; Y275-F318 PolarHBondContact OH-O 3.34Å; W303-F318 HydrophobicContact CZ3-CE2 4.26Å; W303-F318 HydrophobicContact CZ3-CZ 4.2Å
319Q85.5Confident82.2Confident168 Ų16862.8 Ų62.879%0.78535%0.347SS*.PPolyproline II helixtrans-59.4143.6173-71.2177.1-16.100110.4
320L82.3Confident81Confident17 Ų1765.1 Ų65.19%0.08936%0.363CS..PPolyproline II helixtrans-90135.2170-55.4-179.2000108.1L230 Q271 A272 Y275 I323L230-L320 HydrophobicContact CD1-CD1 3.8Å; Q271-L320 HydrophobicContact CB-CD2 3.36Å; A272-L320 HydrophobicContact CB-CD1 4.38Å; A272-L320 HydrophobicContact CB-CD2 4.2Å; Y275-L320 HydrophobicContact CD1-CD1 4.28Å; Y275-L320 HydrophobicContact CD2-CD1 3.63Å; Y275-L320 HydrophobicContact CD2-CD2 3.92Å; Y275-L320 HydrophobicContact CD2-CG 3.78Å; Y275-L320 HydrophobicContact CE1-CD1 4.49Å; Y275-L320 HydrophobicContact CE2-CD1 3.9Å; Y275-L320 HydrophobicContact CE2-CD2 3.84Å; Y275-L320 HydrophobicContact CE2-CG 3.56Å; Y275-L320 HydrophobicContact CG-CD1 3.84Å; Y275-L320 HydrophobicContact CG-CG 4.42Å; L320-I323 HydrophobicContact CB-CG2 3.38Å; L320-I323 HydrophobicContact CD1-CG2 3.79Å; L320-I323 HydrophobicContact CG-CG2 4.21Å
321S69.2Low80Confident83 Ų8363.3 Ų63.358%0.5836%0.357SS*.SBendtrans-74.6160.6167.267.50000109.9I323S321-I323 PolarHBondContact O-N 3.16Å
322D63.9Low79.1Confident111 Ų11167 Ų6759%0.59438%0.38SS*.SBendtrans60.112.2162.7-44.2-57.7000117.1N324 V325D322-N324 PolarHBondContact O-N 3.23Å; D322-N324 VanDerWaalsContact O-N 3.1Å; D322-V325 HydrophobicContact CB-CG1 4.07Å; D322-V325 HydrophobicContact CB-CG2 4.37Å; D322-V325 VanDerWaalsContact O-CG2 3.27Å; D322-V325 WeakPolarHBondContact O-CG2 3.41Å; D322-V325 PolarHBondContact O-N 2.96Å; D322-V325 VanDerWaalsContact O-N 3.11Å
323I64.2Low78Confident55 Ų5570.7 Ų70.728%0.28240%0.4SS..THydrogen-bonded Turntrans-67.4-11.7-179.156.5167.5000115.5L230 L320 S321L230-I323 HydrophobicContact CD1-CB 4.33Å; L230-I323 HydrophobicContact CD1-CG2 3.63Å; L320-I323 HydrophobicContact CB-CG2 3.38Å; L320-I323 HydrophobicContact CD1-CG2 3.79Å; L320-I323 HydrophobicContact CG-CG2 4.21Å; S321-I323 PolarHBondContact O-N 3.16Å
324N62.1Low77.1Confident106 Ų10670.8 Ų70.857%0.56740%0.404SS*.THydrogen-bonded Turntrans-104.611.2177.5-67.1-13.4000112.4D322D322-N324 PolarHBondContact O-N 3.23Å; D322-N324 VanDerWaalsContact O-N 3.1Å
325V63.2Low76.3Confident64 Ų6465 Ų6539%0.38838%0.377SS..SBendtrans-89156.4172.4-44.60000110.7K227 D322 V327K227-V325 HydrophobicContact CD-CG2 3.38Å; D322-V325 HydrophobicContact CB-CG1 4.07Å; D322-V325 HydrophobicContact CB-CG2 4.37Å; D322-V325 VanDerWaalsContact O-CG2 3.27Å; D322-V325 WeakPolarHBondContact O-CG2 3.41Å; D322-V325 PolarHBondContact O-N 2.96Å; D322-V325 VanDerWaalsContact O-N 3.11Å; V325-V327 PolarHBondContact O-N 3.1Å
326P64.6Low75.4Confident117 Ų11766 Ų6676%0.7638%0.381SS*.PPolyproline II helixtrans-56.4133.6-178.9-27.136000113.4K227K227-P326 WeakPolarHBondContact CD-O 3.42Å; K227-P326 WeakPolarHBondContact CE-O 3.43Å
327V75.1Confident74.7Confident42 Ų4262.1 Ų62.126%0.25536%0.355SS..PPolyproline II helixtrans-59.2142.4171.6179.20000109.8A231 V325 V331 V332A231-V327 HydrophobicContact CB-CB 4.39Å; A231-V327 HydrophobicContact CB-CG1 3.79Å; A231-V327 HydrophobicContact CB-CG2 3.64Å; V325-V327 PolarHBondContact O-N 3.1Å; V327-V331 HydrophobicContact CG1-CB 3.91Å; V327-V331 HydrophobicContact CG1-CG1 3.82Å; V327-V332 HydrophobicContact CB-CG2 3.9Å; V327-V332 HydrophobicContact CG1-CG2 3.81Å
328T74.6Confident74.2Confident34 Ų3462.9 Ų62.921%0.20936%0.36CS..PPolyproline II helixtrans-61.1132.4-176.6-52.80000110.5V222 K227 D228 S330 V331 V332V222-T328 HydrophobicContact CG1-CG2 3.67Å; K227-T328 PolarHBondContact NZ-OG1 3.08Å; D228-T328 VanDerWaalsContact CG-OG1 3.25Å; D228-T328 WeakPolarHBondContact OD1-CB 3.29Å; D228-T328 PolarHBondContact OD1-N 2.94Å; D228-T328 PolarHBondContact OD1-OG1 3.04Å; D228-T328 VanDerWaalsContact OD1-OG1 3.05Å; D228-T328 WeakPolarHBondContact OD2-CB 3.45Å; D228-T328 PolarHBondContact OD2-OG1 2.86Å; T328-S330 VanDerWaalsContact C-N 3.26Å; T328-S330 PolarHBondContact O-N 3.3Å; T328-S330 VanDerWaalsContact O-N 3.1Å; T328-V331 WeakPolarHBondContact O-CA 3.25Å; T328-V331 VanDerWaalsContact O-CB 3.31Å; T328-V331 WeakPolarHBondContact O-CB 3.36Å; T328-V331 PolarHBondContact O-N 2.79Å; T328-V332 PolarHBondContact O-N 3.43Å; T328-V332 VanDerWaalsContact O-N 3.13Å
329P72.7Confident73.7Confident106 Ų10659.4 Ų59.469%0.68835%0.345SS*.Hα-helixtrans-56.1-33.1-172.3-30.736.4000115.6V331 V332 N333P329-V331 VanDerWaalsContact C-N 3.29Å; P329-V331 PolarHBondContact O-N 2.81Å; P329-V332 PolarHBondContact O-N 3.29Å; P329-N333 WeakPolarHBondContact O-CB 3.21Å; P329-N333 PolarHBondContact O-N 3.1Å
330S73.3Confident73.3Confident50 Ų5052.6 Ų52.635%0.3532%0.315SS..Hα-helixtrans-63.3-33.5174.155.60000113.1T328 A334T328-S330 VanDerWaalsContact C-N 3.26Å; T328-S330 PolarHBondContact O-N 3.3Å; T328-S330 VanDerWaalsContact O-N 3.1Å; S330-A334 WeakPolarHBondContact O-CB 3.33Å; S330-A334 PolarHBondContact O-N 2.92Å
331V77.4Confident73.1Confident9 Ų954.6 Ų54.66%0.05533%0.334CS..Hα-helixtrans-76.8-40.1178.7-179.60000110.2L224 D228 V232 V327 T328 P329 N333 A334 I335L224-V331 HydrophobicContact CD2-CG2 3.25Å; D228-V331 HydrophobicContact CB-CB 4.49Å; D228-V331 HydrophobicContact CB-CG1 4.15Å; D228-V331 HydrophobicContact CB-CG2 3.95Å; V232-V331 HydrophobicContact CG2-CG1 4.02Å; V327-V331 HydrophobicContact CG1-CB 3.91Å; V327-V331 HydrophobicContact CG1-CG1 3.82Å; T328-V331 WeakPolarHBondContact O-CA 3.25Å; T328-V331 VanDerWaalsContact O-CB 3.31Å; T328-V331 WeakPolarHBondContact O-CB 3.36Å; T328-V331 PolarHBondContact O-N 2.79Å; P329-V331 VanDerWaalsContact C-N 3.29Å; P329-V331 PolarHBondContact O-N 2.81Å; V331-N333 VanDerWaalsContact C-N 3.29Å; V331-N333 PolarHBondContact O-N 3.23Å; V331-A334 PolarHBondContact O-N 3.13Å; V331-I335 HydrophobicContact CG1-CD1 4.13Å; V331-I335 WeakPolarHBondContact O-CB 3.37Å; V331-I335 WeakPolarHBondContact O-CG1 3.21Å; V331-I335 PolarHBondContact O-N 2.94Å
332V76.1Confident73.7Confident77 Ų7753.1 Ų53.147%0.46732%0.319SS..Hα-helixtrans-58.4-44.3170.3-179.50000110.5V327 T328 P329 I335 H336V327-V332 HydrophobicContact CB-CG2 3.9Å; V327-V332 HydrophobicContact CG1-CG2 3.81Å; T328-V332 PolarHBondContact O-N 3.43Å; T328-V332 VanDerWaalsContact O-N 3.13Å; P329-V332 PolarHBondContact O-N 3.29Å; V332-I335 PolarHBondContact O-N 2.8Å; V332-H336 WeakPolarHBondContact O-CB 3.23Å; V332-H336 PolarHBondContact O-N 3.31Å
333N74.1Confident74.5Confident82 Ų8253.3 Ų53.344%0.43931%0.312SS..Hα-helixtrans-62.4-47.4176.5-167.349.4000112P329 V331 I335 H336 L337P329-N333 WeakPolarHBondContact O-CB 3.21Å; P329-N333 PolarHBondContact O-N 3.1Å; V331-N333 VanDerWaalsContact C-N 3.29Å; V331-N333 PolarHBondContact O-N 3.23Å; N333-I335 PolarHBondContact O-N 2.74Å; N333-H336 PolarHBondContact O-N 2.97Å; N333-L337 WeakPolarHBondContact ND2-CD1 3.27Å; N333-L337 WeakPolarHBondContact O-CB 3.43Å; N333-L337 WeakPolarHBondContact O-CD1 3.4Å; N333-L337 WeakPolarHBondContact O-CG 3.41Å; N333-L337 PolarHBondContact O-N 3.22Å; N333-L337 VanDerWaalsContact OD1-CD1 3.27Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.44Å
334A77.6Confident75.3Confident23 Ų2357.4 Ų57.419%0.1933%0.332CS..Hα-helixtrans-60.8-43.7176.400000112.4W209 S330 V331 L337 V338W209-A334 HydrophobicContact CD2-CB 4.47Å; W209-A334 HydrophobicContact CZ2-CB 4.12Å; S330-A334 WeakPolarHBondContact O-CB 3.33Å; S330-A334 PolarHBondContact O-N 2.92Å; V331-A334 PolarHBondContact O-N 3.13Å; A334-L337 PolarHBondContact O-N 2.88Å; A334-V338 WeakPolarHBondContact O-CB 3.24Å; A334-V338 VanDerWaalsContact O-CG2 3.28Å; A334-V338 WeakPolarHBondContact O-CG2 3.4Å; A334-V338 PolarHBondContact O-N 3.33Å
335I79.1Confident76.5Confident10 Ų1058 Ų585%0.05133%0.332CS..Hα-helixtrans-58.6-49173.6-73.4167.3000110.6A231 V232 H235 I236 V331 V332 N333 L337 A339 F352A231-I335 HydrophobicContact CB-CD1 3.8Å; V232-I335 HydrophobicContact CG2-CD1 4.12Å; V232-I335 HydrophobicContact CG2-CG1 4.05Å; H235-I335 HydrophobicContact CB-CG2 3.87Å; I236-I335 HydrophobicContact CD1-CG2 4.03Å; I236-I335 HydrophobicContact CG1-CG1 4.3Å; I236-I335 HydrophobicContact CG1-CG2 4.23Å; V331-I335 HydrophobicContact CG1-CD1 4.13Å; V331-I335 WeakPolarHBondContact O-CB 3.37Å; V331-I335 WeakPolarHBondContact O-CG1 3.21Å; V331-I335 PolarHBondContact O-N 2.94Å; V332-I335 PolarHBondContact O-N 2.8Å; N333-I335 PolarHBondContact O-N 2.74Å; I335-L337 VanDerWaalsContact C-N 3.3Å; I335-L337 PolarHBondContact O-N 3.45Å; I335-A339 VanDerWaalsContact O-CB 3.28Å; I335-A339 WeakPolarHBondContact O-CB 3.47Å; I335-A339 PolarHBondContact O-N 2.82Å; I335-F352 HydrophobicContact CG2-CE1 3.85Å; I335-F352 HydrophobicContact CG2-CZ 3.74Å
336H77Confident77.4Confident39 Ų3956.9 Ų56.918%0.18132%0.321CS..Hα-helixtrans-61.1-40.6-179.6-178.165.2000111.9V332 N333 T340V332-H336 WeakPolarHBondContact O-CB 3.23Å; V332-H336 PolarHBondContact O-N 3.31Å; N333-H336 PolarHBondContact O-N 2.97Å; H336-T340 WeakPolarHBondContact O-CB 3.24Å; H336-T340 PolarHBondContact O-N 3.5Å; H336-T340 PolarHBondContact O-OG1 3.33Å
337L77.7Confident78.5Confident14 Ų1457.3 Ų57.37%0.07332%0.317CS..Hα-helixtrans-77-37.6-176.8-74.7156000112.6W209 N333 A334 I335 T340 A341 V370W209-L337 HydrophobicContact CE3-CB 3.76Å; W209-L337 HydrophobicContact CE3-CD1 4.5Å; W209-L337 HydrophobicContact CH2-CB 4.24Å; W209-L337 HydrophobicContact CH2-CD1 3.48Å; W209-L337 VanDerWaalsContact CH2-CD1 3.48Å; W209-L337 HydrophobicContact CH2-CG 4.42Å; W209-L337 HydrophobicContact CZ3-CB 3.31Å; W209-L337 HydrophobicContact CZ3-CD1 3.29Å; W209-L337 HydrophobicContact CZ3-CG 3.8Å; N333-L337 WeakPolarHBondContact ND2-CD1 3.27Å; N333-L337 WeakPolarHBondContact O-CB 3.43Å; N333-L337 WeakPolarHBondContact O-CD1 3.4Å; N333-L337 WeakPolarHBondContact O-CG 3.41Å; N333-L337 PolarHBondContact O-N 3.22Å; N333-L337 VanDerWaalsContact OD1-CD1 3.27Å; N333-L337 WeakPolarHBondContact OD1-CD1 3.44Å; A334-L337 PolarHBondContact O-N 2.88Å; I335-L337 VanDerWaalsContact C-N 3.3Å; I335-L337 PolarHBondContact O-N 3.45Å; L337-T340 PolarHBondContact O-N 2.76Å; L337-A341 WeakPolarHBondContact O-CB 3.47Å; L337-A341 PolarHBondContact O-N 3.27Å; L337-V370 HydrophobicContact CD2-CB 4.29Å; L337-V370 HydrophobicContact CD2-CG1 3.47Å; L337-V370 VanDerWaalsContact CD2-CG1 3.47Å; L337-V370 HydrophobicContact CD2-CG2 3.78Å
338V79.8Confident79Confident41 Ų4156.7 Ų56.725%0.24831%0.314CS..Hα-helixtrans-62.7-49.3169.6170.20000110.7W209 I236 A334 T340 A341 L342W209-V338 HydrophobicContact CB-CG2 4.2Å; I236-V338 HydrophobicContact CD1-CB 4.41Å; I236-V338 HydrophobicContact CD1-CG1 4.09Å; I236-V338 HydrophobicContact CG1-CG1 4.44Å; I236-V338 HydrophobicContact CG2-CG1 4.07Å; A334-V338 WeakPolarHBondContact O-CB 3.24Å; A334-V338 VanDerWaalsContact O-CG2 3.28Å; A334-V338 WeakPolarHBondContact O-CG2 3.4Å; A334-V338 PolarHBondContact O-N 3.33Å; V338-T340 VanDerWaalsContact C-N 3.28Å; V338-T340 PolarHBondContact O-N 3.04Å; V338-A341 PolarHBondContact O-N 3.04Å; V338-L342 HydrophobicContact CG1-CD1 3.73Å; V338-L342 HydrophobicContact CG1-CG 4.41Å; V338-L342 WeakPolarHBondContact O-CB 3.35Å; V338-L342 VanDerWaalsContact O-CG 3.31Å; V338-L342 WeakPolarHBondContact O-CG 3.24Å; V338-L342 PolarHBondContact O-N 3.14Å
339A77.3Confident79.4Confident0 Ų055.1 Ų55.10%030%0.304CS..Hα-helixtrans-61.3-38.8176.600000111.8I236 I335 L342 R343 M349 F352 V353I236-A339 HydrophobicContact CD1-CB 3.99Å; I335-A339 VanDerWaalsContact O-CB 3.28Å; I335-A339 WeakPolarHBondContact O-CB 3.47Å; I335-A339 PolarHBondContact O-N 2.82Å; A339-L342 PolarHBondContact O-N 3.34Å; A339-R343 WeakPolarHBondContact O-CB 3.2Å; A339-R343 PolarHBondContact O-N 3.1Å; A339-M349 HydrophobicContact CB-SD 3.73Å; A339-F352 HydrophobicContact CB-CD1 3.55Å; A339-F352 HydrophobicContact CB-CE1 3.89Å; A339-V353 HydrophobicContact CB-CG2 3.98Å
340T79Confident79.8Confident25 Ų2553 Ų5315%0.15329%0.292CS..Hα-helixtrans-63.9-43.3175.1-65.60000111.8H336 L337 V338 L342 R343H336-T340 WeakPolarHBondContact O-CB 3.24Å; H336-T340 PolarHBondContact O-N 3.5Å; H336-T340 PolarHBondContact O-OG1 3.33Å; L337-T340 PolarHBondContact O-N 2.76Å; V338-T340 VanDerWaalsContact C-N 3.28Å; V338-T340 PolarHBondContact O-N 3.04Å; T340-L342 VanDerWaalsContact C-N 3.33Å; T340-L342 PolarHBondContact O-N 3.14Å; T340-R343 VanDerWaalsContact O-CD 3.29Å; T340-R343 WeakPolarHBondContact O-CD 3.45Å; T340-R343 WeakPolarHBondContact O-CG 3.2Å; T340-R343 PolarHBondContact O-NH1 3.2Å
341A77.5Confident80.4Confident58 Ų5853.6 Ų53.648%0.47930%0.3SS..Hα-helixtrans-64.4-37.9176.100000112.3L337 V338 Q345L337-A341 WeakPolarHBondContact O-CB 3.47Å; L337-A341 PolarHBondContact O-N 3.27Å; V338-A341 PolarHBondContact O-N 3.04Å; A341-Q345 PolarHBondContact O-OE1 2.94Å
342L81.1Confident80.5Confident53 Ų5355.4 Ų55.428%0.27731%0.307SS..Hα-helixtrans-88-5.2-175.4-67.6-178.9000115I240 V338 A339 T340 I344 Q345 W346 M349I240-L342 HydrophobicContact CD1-CD1 3.69Å; V338-L342 HydrophobicContact CG1-CD1 3.73Å; V338-L342 HydrophobicContact CG1-CG 4.41Å; V338-L342 WeakPolarHBondContact O-CB 3.35Å; V338-L342 VanDerWaalsContact O-CG 3.31Å; V338-L342 WeakPolarHBondContact O-CG 3.24Å; V338-L342 PolarHBondContact O-N 3.14Å; A339-L342 PolarHBondContact O-N 3.34Å; T340-L342 VanDerWaalsContact C-N 3.33Å; T340-L342 PolarHBondContact O-N 3.14Å; L342-I344 PolarHBondContact O-N 3.08Å; L342-I344 VanDerWaalsContact O-N 3.08Å; L342-Q345 PolarHBondContact O-N 2.61Å; L342-Q345 VanDerWaalsContact O-N 3.12Å; L342-Q345 PolarHBondContact O-OE1 2.97Å; L342-W346 PolarHBondContact O-N 3.18Å; L342-M349 HydrophobicContact CB-CB 4.28Å; L342-M349 HydrophobicContact CB-CG 3.91Å
343R81.3Confident80.5Confident115 Ų11552.6 Ų52.643%0.43429%0.29SS..THydrogen-bonded Turntrans-61.3-18.4-174.478.1-169.8-172.9-89.97.1115.6A339 T340 S350 V353A339-R343 WeakPolarHBondContact O-CB 3.2Å; A339-R343 PolarHBondContact O-N 3.1Å; T340-R343 VanDerWaalsContact O-CD 3.29Å; T340-R343 WeakPolarHBondContact O-CD 3.45Å; T340-R343 WeakPolarHBondContact O-CG 3.2Å; T340-R343 PolarHBondContact O-NH1 3.2Å; R343-S350 WeakPolarHBondContact O-CB 3.22Å; R343-V353 HydrophobicContact CB-CG2 4.45Å
344I81.4Confident80.6Confident140 Ų14050.6 Ų50.672%0.71829%0.289SS*.THydrogen-bonded Turntrans-85.2-32-179.7-61.4175.3000110.3L342L342-I344 PolarHBondContact O-N 3.08Å; L342-I344 VanDerWaalsContact O-N 3.08Å
345Q86.3Confident80.6Confident118 Ų11853.5 Ų53.555%0.55130%0.304SS*.THydrogen-bonded Turntrans-95.7-22.8-174.7-59.181.2-1.400112.9A341 L342A341-Q345 PolarHBondContact O-OE1 2.94Å; L342-Q345 PolarHBondContact O-N 2.61Å; L342-Q345 VanDerWaalsContact O-N 3.12Å; L342-Q345 PolarHBondContact O-OE1 2.97Å
346W82Confident80.4Confident41 Ų4155.3 Ų55.316%0.15531%0.314CS..  trans-128.9121.6-173-60.192.9000111.9L188 I240 E243 F244 L342 C348 M349 S350L188-W346 HydrophobicContact CD1-CZ2 4.19Å; L188-W346 HydrophobicContact CD2-CH2 3.93Å; L188-W346 HydrophobicContact CD2-CZ2 4.13Å; I240-W346 HydrophobicContact CB-CE3 4.45Å; I240-W346 HydrophobicContact CG1-CD2 4.32Å; I240-W346 HydrophobicContact CG1-CG 4.38Å; I240-W346 HydrophobicContact CG2-CD2 3.86Å; I240-W346 HydrophobicContact CG2-CE3 3.84Å; I240-W346 HydrophobicContact CG2-CH2 3.72Å; I240-W346 HydrophobicContact CG2-CZ2 3.72Å; I240-W346 HydrophobicContact CG2-CZ3 3.77Å; E243-W346 HydrophobicContact CB-CE3 4.07Å; E243-W346 HydrophobicContact CB-CZ3 4.2Å; E243-W346 HydrophobicContact CG-CE3 4Å; E243-W346 HydrophobicContact CG-CZ3 4.27Å; F244-W346 HydrophobicContact CB-CH2 3.75Å; F244-W346 HydrophobicContact CB-CZ3 3.81Å; F244-W346 AromaticContact CD2-CH2 3.81Å; F244-W346 HydrophobicContact CD2-CH2 3.81Å; F244-W346 HydrophobicContact CD2-CZ3 4.48Å; F244-W346 HydrophobicContact CG-CH2 4.1Å; L342-W346 PolarHBondContact O-N 3.18Å; W346-C348 VanDerWaalsContact C-N 3.32Å; W346-C348 PolarHBondContact O-N 3.12Å; W346-M349 HydrophobicContact CB-CB 3.99Å; W346-M349 HydrophobicContact CB-CG 3.73Å; W346-M349 HydrophobicContact CG-CG 4.39Å; W346-M349 PolarHBondContact O-N 3.26Å; W346-S350 PolarHBondContact O-N 3.15Å
347N87.8Confident79.9Confident126 Ų12656.8 Ų56.867%0.67433%0.325SS*.Hα-helixtrans-65.1-37.4-179.8-63.4-78.6000111.3E243 M349 S350 A351E243-N347 VanDerWaalsContact OE1-CB 3.3Å; E243-N347 WeakPolarHBondContact OE1-CB 3.44Å; E243-N347 PolarHBondContact OE1-N 2.85Å; E243-N347 PolarHBondContact OE1-ND2 2.92Å; E243-N347 PolarHBondContact OE2-N 2.84Å; E243-N347 VanDerWaalsContact OE2-N 3.11Å; N347-M349 VanDerWaalsContact C-N 3.31Å; N347-M349 PolarHBondContact O-N 3.43Å; N347-S350 WeakPolarHBondContact O-CB 3.29Å; N347-S350 PolarHBondContact O-N 3.42Å; N347-A351 WeakPolarHBondContact O-CB 3.5Å; N347-A351 PolarHBondContact O-N 2.7Å
348C85.3Confident79.4Confident30 Ų3063.3 Ų63.320%0.20335%0.353CS..Hα-helixtrans-62.2-37.4175.462.70000112.4P239 E243 W346 F352P239-C348 HydrophobicContact CB-CB 3.91Å; E243-C348 WeakPolarHBondContact OE2-CB 3.04Å; E243-C348 PolarHBondContact OE2-N 2.97Å; E243-C348 PolarHBondContact OE2-SG 3.07Å; W346-C348 VanDerWaalsContact C-N 3.32Å; W346-C348 PolarHBondContact O-N 3.12Å; C348-F352 WeakPolarHBondContact O-CB 3.48Å; C348-F352 PolarHBondContact O-N 3.03Å
349M84.4Confident78.7Confident1 Ų164.8 Ų64.81%0.00537%0.365CS..Hα-helixtrans-72.6-39.4176.5-62.4-61.497.100111.4H235 I236 P239 I240 A339 L342 W346 N347 F352 V353H235-M349 WeakPolarHBondContact O-CE 3.37Å; I236-M349 HydrophobicContact CD1-SD 3.75Å; P239-M349 HydrophobicContact CB-CE 4.03Å; I240-M349 HydrophobicContact CD1-CE 4.37Å; I240-M349 HydrophobicContact CD1-CG 4.07Å; I240-M349 HydrophobicContact CD1-SD 3.99Å; I240-M349 HydrophobicContact CG1-CE 3.94Å; I240-M349 HydrophobicContact CG1-CG 4.11Å; I240-M349 HydrophobicContact CG1-SD 4.17Å; A339-M349 HydrophobicContact CB-SD 3.73Å; L342-M349 HydrophobicContact CB-CB 4.28Å; L342-M349 HydrophobicContact CB-CG 3.91Å; W346-M349 HydrophobicContact CB-CB 3.99Å; W346-M349 HydrophobicContact CB-CG 3.73Å; W346-M349 HydrophobicContact CG-CG 4.39Å; W346-M349 PolarHBondContact O-N 3.26Å; N347-M349 VanDerWaalsContact C-N 3.31Å; N347-M349 PolarHBondContact O-N 3.43Å; M349-F352 PolarHBondContact O-N 3.39Å; M349-V353 VanDerWaalsContact O-CG2 3.31Å; M349-V353 WeakPolarHBondContact O-CG2 3.44Å; M349-V353 PolarHBondContact O-N 2.96Å
350S81.4Confident77.9Confident62 Ų6267.5 Ų67.543%0.43438%0.379SS..Hα-helixtrans-58-47.4172.1-1670000112.1R343 W346 N347 V353 G354R343-S350 WeakPolarHBondContact O-CB 3.22Å; W346-S350 PolarHBondContact O-N 3.15Å; N347-S350 WeakPolarHBondContact O-CB 3.29Å; N347-S350 PolarHBondContact O-N 3.42Å; S350-V353 PolarHBondContact O-N 3.03Å; S350-G354 PolarHBondContact O-N 3.31Å
351A84.2Confident76.9Confident61 Ų6172.3 Ų72.350%0.50440%0.403SS..Hα-helixtrans-64.9-40.4177.600000112.6N347 T355N347-A351 WeakPolarHBondContact O-CB 3.5Å; N347-A351 PolarHBondContact O-N 2.7Å; A351-T355 WeakPolarHBondContact O-CB 3.35Å; A351-T355 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-OG1 3.41Å
352F80.4Confident76.3Confident48 Ų4874.6 Ų74.621%0.21141%0.411CS..Hα-helixtrans-62.5-49.7176.2178.5-101.3000112.1H235 I335 A339 C348 M349 T355 I356H235-F352 HydrophobicContact CB-CE2 4.19Å; H235-F352 HydrophobicContact CB-CZ 4.23Å; H235-F352 AromaticContact ND1-CE2 3.76Å; I335-F352 HydrophobicContact CG2-CE1 3.85Å; I335-F352 HydrophobicContact CG2-CZ 3.74Å; A339-F352 HydrophobicContact CB-CD1 3.55Å; A339-F352 HydrophobicContact CB-CE1 3.89Å; C348-F352 WeakPolarHBondContact O-CB 3.48Å; C348-F352 PolarHBondContact O-N 3.03Å; M349-F352 PolarHBondContact O-N 3.39Å; F352-T355 WeakPolarHBondContact O-CB 3.48Å; F352-T355 PolarHBondContact O-N 2.87Å; F352-I356 HydrophobicContact CD1-CD1 3.93Å; F352-I356 HydrophobicContact CE1-CD1 3.42Å; F352-I356 VanDerWaalsContact CE1-CD1 3.42Å; F352-I356 HydrophobicContact CE2-CD1 4.23Å; F352-I356 HydrophobicContact CZ-CD1 3.6Å; F352-I356 PolarHBondContact O-N 3.31Å
353V76.2Confident75.2Confident17 Ų1777.7 Ų77.710%0.10343%0.426CS..Hα-helixtrans-61.9-46176.9173.60000110.8A339 R343 M349 S350 T355 I356 T357A339-V353 HydrophobicContact CB-CG2 3.98Å; R343-V353 HydrophobicContact CB-CG2 4.45Å; M349-V353 VanDerWaalsContact O-CG2 3.31Å; M349-V353 WeakPolarHBondContact O-CG2 3.44Å; M349-V353 PolarHBondContact O-N 2.96Å; S350-V353 PolarHBondContact O-N 3.03Å; V353-T355 VanDerWaalsContact C-N 3.26Å; V353-T355 PolarHBondContact O-N 3.49Å; V353-I356 PolarHBondContact O-N 2.9Å; V353-T357 PolarHBondContact O-N 2.79Å; V353-T357 PolarHBondContact O-OG1 2.86Å
354G75.5Confident73.8Confident41 Ų4181.4 Ų81.442%0.42345%0.448SS..Hα-helixtrans-59.4-35.8176.700000113.4S350 K358S350-G354 PolarHBondContact O-N 3.31Å; G354-K358 WeakPolarHBondContact O-CB 3.17Å; G354-K358 PolarHBondContact O-N 3.44Å
355T78.2Confident72.1Confident84 Ų8477.5 Ų77.552%0.51543%0.433SS..Hα-helixtrans-66-48.2175.2-58.60000111A351 F352 V353 T357 K358 C359A351-T355 WeakPolarHBondContact O-CB 3.35Å; A351-T355 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-OG1 3.41Å; F352-T355 WeakPolarHBondContact O-CB 3.48Å; F352-T355 PolarHBondContact O-N 2.87Å; V353-T355 VanDerWaalsContact C-N 3.26Å; V353-T355 PolarHBondContact O-N 3.49Å; T355-T357 PolarHBondContact O-N 2.82Å; T355-K358 PolarHBondContact O-N 2.79Å; T355-C359 PolarHBondContact O-N 2.92Å; T355-C359 PolarHBondContact O-SG 2.97Å; T355-C359 VanDerWaalsContact O-SG 3.35Å
356I73.9Confident69.9Low48 Ų4880.8 Ų80.825%0.24644%0.44CS..Hα-helixtrans-58.8-48.2176.3-69.8171.1000111F352 V353 K358 C359 L360F352-I356 HydrophobicContact CD1-CD1 3.93Å; F352-I356 HydrophobicContact CE1-CD1 3.42Å; F352-I356 VanDerWaalsContact CE1-CD1 3.42Å; F352-I356 HydrophobicContact CE2-CD1 4.23Å; F352-I356 HydrophobicContact CZ-CD1 3.6Å; F352-I356 PolarHBondContact O-N 3.31Å; V353-I356 PolarHBondContact O-N 2.9Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.1Å; I356-C359 PolarHBondContact O-N 3.34Å; I356-L360 HydrophobicContact CG2-CD1 3.9Å; I356-L360 HydrophobicContact CG2-CG 4.38Å; I356-L360 WeakPolarHBondContact O-CG 3.24Å; I356-L360 PolarHBondContact O-N 3.3Å
357T68Low67.9Low69 Ų6981.9 Ų81.942%0.42345%0.452SS..Hα-helixtrans-58.6-43.2178.1-580000111.5V353 T355 L360 L361V353-T357 PolarHBondContact O-N 2.79Å; V353-T357 PolarHBondContact O-OG1 2.86Å; T355-T357 PolarHBondContact O-N 2.82Å; T357-L360 PolarHBondContact O-N 3.04Å; T357-L361 HydrophobicContact CG2-CD1 4.1Å; T357-L361 VanDerWaalsContact O-CG 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.43Å; T357-L361 PolarHBondContact O-N 3.09Å
358K66.8Low65.6Low152 Ų15284.5 Ų84.566%0.66146%0.458SS*.Hα-helixtrans-64.1-44.6177.2-171.3179-179.9-176.80112.3G354 T355 I356 L361 T362G354-K358 WeakPolarHBondContact O-CB 3.17Å; G354-K358 PolarHBondContact O-N 3.44Å; T355-K358 PolarHBondContact O-N 2.79Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.1Å; K358-L361 PolarHBondContact O-N 3.23Å; K358-T362 PolarHBondContact O-N 2.85Å; K358-T362 VanDerWaalsContact O-N 3.11Å; K358-T362 PolarHBondContact O-OG1 3.24Å
359C65.5Low63.2Low72 Ų7291.6 Ų91.649%0.48648%0.482SS..Hα-helixtrans-59.6-47.6176.3-70.70000111.6T355 I356 L361 T362 M363T355-C359 PolarHBondContact O-N 2.92Å; T355-C359 PolarHBondContact O-SG 2.97Å; T355-C359 VanDerWaalsContact O-SG 3.35Å; I356-C359 PolarHBondContact O-N 3.34Å; C359-L361 PolarHBondContact O-N 3.41Å; C359-T362 PolarHBondContact O-N 3.46Å; C359-M363 PolarHBondContact O-N 3.46Å
360L59.4Low60.9Low56 Ų5694.9 Ų94.929%0.29350%0.502SS..Hα-helixtrans-59.4-44.4178.2-70.8171.5000112.3I356 T357 T362 M363I356-L360 HydrophobicContact CG2-CD1 3.9Å; I356-L360 HydrophobicContact CG2-CG 4.38Å; I356-L360 WeakPolarHBondContact O-CG 3.24Å; I356-L360 PolarHBondContact O-N 3.3Å; T357-L360 PolarHBondContact O-N 3.04Å; L360-T362 PolarHBondContact O-N 2.79Å; L360-M363 PolarHBondContact O-N 2.97Å
361L59.3Low58.4Low126 Ų12697.4 Ų97.466%0.6652%0.515SS*.Hα-helixtrans-62.2-28.6175.8-72170000113.2T357 K358 C359T357-L361 HydrophobicContact CG2-CD1 4.1Å; T357-L361 VanDerWaalsContact O-CG 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.43Å; T357-L361 PolarHBondContact O-N 3.09Å; K358-L361 PolarHBondContact O-N 3.23Å; C359-L361 PolarHBondContact O-N 3.41Å
362T63.6Low56Low107 Ų107100.3 Ų100.366%0.65653%0.526SS*.Hα-helixtrans-82.7-21.2-178.2-45.60000112.4K358 C359 L360K358-T362 PolarHBondContact O-N 2.85Å; K358-T362 VanDerWaalsContact O-N 3.11Å; K358-T362 PolarHBondContact O-OG1 3.24Å; C359-T362 PolarHBondContact O-N 3.46Å; L360-T362 PolarHBondContact O-N 2.79Å
363M58.6Low53.6Low118 Ų118101.5 Ų101.558%0.58154%0.539SS*.THydrogen-bonded Turntrans-93.818.8-176.8-67.6-16972.600114.3C359 L360 S365C359-M363 PolarHBondContact O-N 3.46Å; L360-M363 PolarHBondContact O-N 2.97Å; M363-S365 PolarHBondContact O-N 2.8Å; M363-S365 PolarHBondContact O-OG 3.47Å
364E50.6Low51.1Low193 Ų193110.4 Ų110.490%0.90258%0.576SS**THydrogen-bonded Turntrans48.611.8-171.9-61.5-163.3161.100115.3
365S46.6Very low49Very low57 Ų57117.3 Ų117.340%0.39960%0.595SS.*PPolyproline II helixtrans-81.7129-173.6-660000107.9M363M363-S365 PolarHBondContact O-N 2.8Å; M363-S365 PolarHBondContact O-OG 3.47Å
366R40.1Very low46.4Very low187 Ų187121.6 Ų121.671%0.70661%0.612SS**PPolyproline II helixtrans-48.2132178.1-74.9-176.9175.6-175.7-2.2109.3F368 L406R366-F368 PolarHBondContact O-N 3.05Å; R366-F368 VanDerWaalsContact O-N 3.08Å; R366-L406 VanDerWaalsContact NH2-CD2 3.34Å
367P40.9Very low44.2Very low64 Ų64122.4 Ų122.442%0.41663%0.633SS.*PPolyproline II helixtrans-54123.1178.720.4-32.1000109.2Y369P367-Y369 HydrophobicContact CB-CE2 4.2Å; P367-Y369 HydrophobicContact CG-CD2 4.27Å; P367-Y369 HydrophobicContact CG-CE2 3.59Å; P367-Y369 WeakPolarHBondContact O-CD2 3.44Å; P367-Y369 PolarHBondContact O-N 2.99Å
368F38.5Very low42.4Very low182 Ų182121.7 Ų121.780%0.79864%0.639SS**  trans-69.583.9168.6-120.6-87000107.1R366 V370R366-F368 PolarHBondContact O-N 3.05Å; R366-F368 VanDerWaalsContact O-N 3.08Å; F368-V370 PolarHBondContact O-N 3.08Å
369Y35.6Very low40.9Very low178 Ų178120.8 Ų120.870%0.69865%0.649SS**  trans-58.8123.9164.3-67.2-75000106.7P367 T371P367-Y369 HydrophobicContact CB-CE2 4.2Å; P367-Y369 HydrophobicContact CG-CD2 4.27Å; P367-Y369 HydrophobicContact CG-CE2 3.59Å; P367-Y369 WeakPolarHBondContact O-CD2 3.44Å; P367-Y369 PolarHBondContact O-N 2.99Å; Y369-T371 PolarHBondContact O-N 3.03Å
370V35.8Very low39.2Very low70 Ų70124.6 Ų124.642%0.42466%0.664SS.*  trans-63.491.5161.5173.50000106.1L337 F368 V372L337-V370 HydrophobicContact CD2-CB 4.29Å; L337-V370 HydrophobicContact CD2-CG1 3.47Å; L337-V370 VanDerWaalsContact CD2-CG1 3.47Å; L337-V370 HydrophobicContact CD2-CG2 3.78Å; F368-V370 PolarHBondContact O-N 3.08Å; V370-V372 VanDerWaalsContact C-N 3.34Å; V370-V372 PolarHBondContact O-N 3.34Å
371T28.9Very low37.9Very low115 Ų115130.9 Ų130.971%0.70669%0.694SS**  trans-66.9100.7165.945.20000106.5Y369 P373Y369-T371 PolarHBondContact O-N 3.03Å; T371-P373 VanDerWaalsContact O-CD 3.28Å; T371-P373 WeakPolarHBondContact O-CD 3.14Å; T371-P373 VanDerWaalsContact O-N 3.12Å
372V34.1Very low36.7Very low123 Ų123129.5 Ų129.575%0.74570%0.702SS**  trans-49.2118.4149.4-176.90000105.2V370 K374V370-V372 VanDerWaalsContact C-N 3.34Å; V370-V372 PolarHBondContact O-N 3.34Å; V372-K374 PolarHBondContact O-N 3.2Å; V372-K374 VanDerWaalsContact O-N 3.11Å
373P28.7Very low35Very low72 Ų72133.5 Ų133.547%0.46871%0.713SS.*  trans-57.1123.4-175.5-2634.8000109.3T371 F375T371-P373 VanDerWaalsContact O-CD 3.28Å; T371-P373 WeakPolarHBondContact O-CD 3.14Å; T371-P373 VanDerWaalsContact O-N 3.12Å; P373-F375 PolarHBondContact O-N 3.41Å
374K25Very low33.9Very low205 Ų205137.2 Ų137.289%0.89173%0.729SS**  trans-66.2106.5172-104.9-171.8170.8-173.90107.4V372 I376V372-K374 PolarHBondContact O-N 3.2Å; V372-K374 VanDerWaalsContact O-N 3.11Å; K374-I376 PolarHBondContact O-N 3.07Å
375F29.9Very low32.8Very low186 Ų186137.8 Ų137.882%0.81673%0.731SS**  trans-54127.9174.5-101.5-105.5000110.4P373P373-F375 PolarHBondContact O-N 3.41Å
376I24.9Very low32.1Very low173 Ų173138.6 Ų138.689%0.88775%0.749SS**  trans-109.4126.2155.8-59.7177.7000104.5K374K374-I376 PolarHBondContact O-N 3.07Å
377G28.2Very low31.6Very low65 Ų65136.7 Ų136.767%0.6776%0.757SS**  trans113.737.4-174.400000115.6
378G29.3Very low31.1Very low54 Ų54139.2 Ų139.256%0.55778%0.776SS**PPolyproline II helixtrans-66.2153.1146.100000108.9D380G378-D380 PolarHBondContact O-N 2.97Å
379P34.6Very low30.7Very low133 Ų133138.8 Ų138.886%0.86478%0.777SS**PPolyproline II helixtrans-66.7127.7-174.227.2-33.9000111.6
380D30.1Very low30.7Very low153 Ų153137 Ų13782%0.81879%0.785SS**PPolyproline II helixtrans-68.8165.3161.4-68.8-51.6000110.5G378G378-D380 PolarHBondContact O-N 2.97Å
381M31.9Very low30.4Very low187 Ų187139.2 Ų139.292%0.92180%0.801SS**  trans81.6124.9-169.9-48.1-68-163.500113.7
382A34.5Very low30.5Very low98 Ų98139.6 Ų139.681%0.8181%0.808SS**  cis-151.1175.61.100000111.9
383E28.1Very low30.4Very low190 Ų190138.6 Ų138.689%0.88881%0.806SS**  trans-71.2143.6-172.7-57.6160.3142.300113.9
384E35Very low30.8Very low197 Ų197139.2 Ų139.292%0.92181%0.813SS**  -166157.5128.9-113.1176.9-162.100111.6
385E28.2Very low31.7Very low205 Ų205134 Ų13496%0.95879%0.794SS**  trans-85147.8-161.7-57.1179.7131.700114.7
386G32.2Very low32.4Very low74 Ų74129.3 Ų129.376%0.76378%0.781SS**  trans-178.995173.100000113.8
387V28.5Very low33.2Very low146 Ų146124 Ų12489%0.88576%0.763SS**  trans-70.3127.4-175.2178.80000112.3
388S31.5Very low34.2Very low117 Ų117127.9 Ų127.982%0.81876%0.764SS**  trans-153.5128159.5-175.90000110.4
389E28.9Very low34.9Very low173 Ų173130.4 Ų130.481%0.80876%0.762SS**  trans-84.5131.6-170.6-56.7178141.600112.6
390T36.3Very low35.7Very low141 Ų141132.6 Ų132.687%0.86575%0.753SS**  trans-175151.613419.70000110.9
391P30.5Very low37.1Very low117 Ų117129.1 Ų129.176%0.7674%0.741SS**  trans-99.2141.3-150.935.8-35.1000115.8
392S29.6Very low37.9Very low122 Ų122122.7 Ų122.785%0.85372%0.717SS**  trans-13288.5156.6-174.80000109.3
393S31.9Very low38.8Very low102 Ų102122.4 Ų122.471%0.71370%0.701SS**  trans-106.375.3-175.549.50000111.6N395S393-N395 PolarHBondContact O-N 3.36Å
394S37.1Very low40.5Very low86 Ų86117.2 Ų117.260%0.60169%0.686SS**  trans-71.481159.961.80000109.2V396S394-V396 PolarHBondContact O-N 3Å
395N45.4Very low42Very low94 Ų94115 Ų11550%0.50367%0.671SS.*  trans-59.2113.2179.9-176.3-13.6000110.1S393 A397 Q398 M399S393-N395 PolarHBondContact O-N 3.36Å; N395-A397 PolarHBondContact O-N 2.98Å; N395-A397 WeakPolarHBondContact OD1-CB 3.28Å; N395-A397 PolarHBondContact OD1-N 2.75Å; N395-Q398 PolarHBondContact O-N 2.94Å; N395-M399 PolarHBondContact O-N 3.07Å
396V42.9Very low42.9Very low88 Ų88108.9 Ų108.953%0.53364%0.644SS.*Hα-helixtrans-54.9-28-177.4177.30000112.1S394 M399 R400S394-V396 PolarHBondContact O-N 3Å; V396-M399 PolarHBondContact O-N 2.95Å; V396-R400 HydrophobicContact CG1-CG 4.37Å; V396-R400 WeakPolarHBondContact O-CG 3.3Å; V396-R400 PolarHBondContact O-N 3.3Å
397A42.9Very low43.9Very low62 Ų62111.8 Ų111.851%0.51264%0.639SS.*Hα-helixtrans-65.6-41.517600000113.3N395 M399 S401N395-A397 PolarHBondContact O-N 2.98Å; N395-A397 WeakPolarHBondContact OD1-CB 3.28Å; N395-A397 PolarHBondContact OD1-N 2.75Å; A397-M399 VanDerWaalsContact C-N 3.35Å; A397-S401 WeakPolarHBondContact O-CB 3.34Å; A397-S401 PolarHBondContact O-N 2.9Å
398Q49.7Very low45.2Very low147 Ų147108 Ų10869%0.68762%0.623SS**Hα-helixtrans-67.3-38.7175.5-80.1-176.9-21.300111.2N395 S401 A402N395-Q398 PolarHBondContact O-N 2.94Å; Q398-S401 PolarHBondContact O-N 3.44Å; Q398-A402 PolarHBondContact O-N 2.85Å
399M42.8Very low46Very low107 Ų107106.5 Ų106.553%0.52760%0.603SS.*Hα-helixtrans-66.9-40.6178.7-157.3172.1-71.100111.8N395 V396 A397 A402 I403N395-M399 PolarHBondContact O-N 3.07Å; V396-M399 PolarHBondContact O-N 2.95Å; A397-M399 VanDerWaalsContact C-N 3.35Å; M399-A402 PolarHBondContact O-N 3.47Å; M399-I403 HydrophobicContact CG-CD1 4.41Å; M399-I403 VanDerWaalsContact O-CG1 3.29Å; M399-I403 WeakPolarHBondContact O-CG1 3.25Å; M399-I403 PolarHBondContact O-N 3.09Å
400R52.3Low46.7Very low178 Ų178102.1 Ų102.167%0.67259%0.588SS**Hα-helixtrans-64.2-40.7171.9-73.9-178-177-1752.1112.6V396 I403 S404V396-R400 HydrophobicContact CG1-CG 4.37Å; V396-R400 WeakPolarHBondContact O-CG 3.3Å; V396-R400 PolarHBondContact O-N 3.3Å; R400-I403 PolarHBondContact O-N 3.07Å; R400-S404 PolarHBondContact O-N 3.15Å; R400-S404 PolarHBondContact O-OG 3.07Å
401S59.1Low46.7Very low81 Ų81100.5 Ų100.557%0.56658%0.582SS**Hα-helixtrans-60.9-46.1175.9-173.50000111.9A397 Q398 I403 S404 Y405A397-S401 WeakPolarHBondContact O-CB 3.34Å; A397-S401 PolarHBondContact O-N 2.9Å; Q398-S401 PolarHBondContact O-N 3.44Å; S401-I403 PolarHBondContact O-N 3.29Å; S401-S404 PolarHBondContact O-N 3.38Å; S401-Y405 WeakPolarHBondContact O-CB 3.4Å; S401-Y405 PolarHBondContact O-N 3.35Å
402A48.8Very low47.1Very low51 Ų51103 Ų10342%0.42158%0.581SS.*Hα-helixtrans-63.9-39.3176.700000112.8Q398 M399 Y405 L406Q398-A402 PolarHBondContact O-N 2.85Å; M399-A402 PolarHBondContact O-N 3.47Å; A402-Y405 PolarHBondContact O-N 3.17Å; A402-L406 WeakPolarHBondContact O-CB 3.47Å; A402-L406 VanDerWaalsContact O-CG 3.3Å; A402-L406 WeakPolarHBondContact O-CG 3.45Å; A402-L406 PolarHBondContact O-N 2.65Å
403I54.1Low47.5Very low92 Ų92107.1 Ų107.147%0.47258%0.578SS.*Hα-helixtrans-65.3-48.2175.5-69.9165.8000110.7M399 R400 S401 Y405 L406 M407M399-I403 HydrophobicContact CG-CD1 4.41Å; M399-I403 VanDerWaalsContact O-CG1 3.29Å; M399-I403 WeakPolarHBondContact O-CG1 3.25Å; M399-I403 PolarHBondContact O-N 3.09Å; R400-I403 PolarHBondContact O-N 3.07Å; S401-I403 PolarHBondContact O-N 3.29Å; I403-Y405 VanDerWaalsContact C-N 3.32Å; I403-Y405 PolarHBondContact O-N 2.84Å; I403-L406 PolarHBondContact O-N 3.1Å; I403-M407 HydrophobicContact CG2-CG 4.29Å; I403-M407 HydrophobicContact CG2-SD 4.02Å; I403-M407 WeakPolarHBondContact O-CB 3.5Å; I403-M407 WeakPolarHBondContact O-CG 3.22Å; I403-M407 PolarHBondContact O-N 3.32Å
404S62.2Low47.6Very low81 Ų81111.8 Ų111.857%0.56659%0.589SS**Hα-helixtrans-60.9-38.7176.7-70.40000112.7R400 S401 M407 A408R400-S404 PolarHBondContact O-N 3.15Å; R400-S404 PolarHBondContact O-OG 3.07Å; S401-S404 PolarHBondContact O-N 3.38Å; S404-M407 PolarHBondContact O-N 3.47Å; S404-A408 WeakPolarHBondContact O-CB 3.32Å; S404-A408 PolarHBondContact O-N 3.19Å
405Y66.3Low47.5Very low152 Ų152111.8 Ų111.860%0.59660%0.595SS**Hα-helixtrans-63.1-44.6173.9179.5-97.6000112S401 A402 I403 A408 Q409S401-Y405 WeakPolarHBondContact O-CB 3.4Å; S401-Y405 PolarHBondContact O-N 3.35Å; A402-Y405 PolarHBondContact O-N 3.17Å; I403-Y405 VanDerWaalsContact C-N 3.32Å; I403-Y405 PolarHBondContact O-N 2.84Å; Y405-A408 PolarHBondContact O-N 2.88Å; Y405-Q409 HydrophobicContact CE1-CG 4.22Å; Y405-Q409 WeakPolarHBondContact O-CG 3.12Å; Y405-Q409 PolarHBondContact O-N 3.5Å
406L47.4Very low47Very low76 Ų76115.7 Ų115.740%0.39861%0.61SS.*Hα-helixtrans-67.7-36.3177.3-73172.1000112.8R366 A402 I403 A408 Q409 T410R366-L406 VanDerWaalsContact NH2-CD2 3.34Å; A402-L406 WeakPolarHBondContact O-CB 3.47Å; A402-L406 VanDerWaalsContact O-CG 3.3Å; A402-L406 WeakPolarHBondContact O-CG 3.45Å; A402-L406 PolarHBondContact O-N 2.65Å; I403-L406 PolarHBondContact O-N 3.1Å; L406-A408 VanDerWaalsContact C-N 3.34Å; L406-Q409 PolarHBondContact O-N 3.22Å; L406-T410 PolarHBondContact O-N 2.76Å; L406-T410 VanDerWaalsContact O-N 3.17Å; L406-T410 PolarHBondContact O-OG1 2.87Å
407M54.2Low47Very low135 Ų135117.2 Ų117.267%0.66562%0.621SS**Hα-helixtrans-66.7-35.7173.6-69.9-170.782.500111.9I403 S404 Q409 T410I403-M407 HydrophobicContact CG2-CG 4.29Å; I403-M407 HydrophobicContact CG2-SD 4.02Å; I403-M407 WeakPolarHBondContact O-CB 3.5Å; I403-M407 WeakPolarHBondContact O-CG 3.22Å; I403-M407 PolarHBondContact O-N 3.32Å; S404-M407 PolarHBondContact O-N 3.47Å; M407-Q409 VanDerWaalsContact C-N 3.26Å; M407-Q409 PolarHBondContact O-N 3.34Å; M407-T410 VanDerWaalsContact CA-OG1 3.25Å; M407-T410 WeakPolarHBondContact CA-OG1 3.2Å; M407-T410 PolarHBondContact O-N 3.3Å; M407-T410 PolarHBondContact O-OG1 2.81Å; M407-T410 VanDerWaalsContact O-OG1 3.05Å
408A55Low46.9Very low66 Ų66125.8 Ų125.855%0.54564%0.641SS.*Hα-helixtrans-69.6-19.817300000113.8S404 Y405 L406 S411S404-A408 WeakPolarHBondContact O-CB 3.32Å; S404-A408 PolarHBondContact O-N 3.19Å; Y405-A408 PolarHBondContact O-N 2.88Å; L406-A408 VanDerWaalsContact C-N 3.34Å; A408-S411 PolarHBondContact O-OG 2.8Å
409Q49.6Very low46.5Very low86 Ų86126.7 Ų126.740%0.40264%0.637SS.*Hα-helixtrans-91.8-15.3174.8-65.4-67.4-22.700113.4Y405 L406 M407 S411 K412Y405-Q409 HydrophobicContact CE1-CG 4.22Å; Y405-Q409 WeakPolarHBondContact O-CG 3.12Å; Y405-Q409 PolarHBondContact O-N 3.5Å; L406-Q409 PolarHBondContact O-N 3.22Å; M407-Q409 VanDerWaalsContact C-N 3.26Å; M407-Q409 PolarHBondContact O-N 3.34Å; Q409-S411 PolarHBondContact O-N 2.9Å; Q409-K412 PolarHBondContact O-N 2.97Å
410T42.3Very low46.4Very low81 Ų81125.4 Ų125.450%0.49764%0.637SS.*G310 helixtrans-72.5-14.9-176.5-60000113.5L406 M407 K412 W413L406-T410 PolarHBondContact O-N 2.76Å; L406-T410 VanDerWaalsContact O-N 3.17Å; L406-T410 PolarHBondContact O-OG1 2.87Å; M407-T410 VanDerWaalsContact CA-OG1 3.25Å; M407-T410 WeakPolarHBondContact CA-OG1 3.2Å; M407-T410 PolarHBondContact O-N 3.3Å; M407-T410 PolarHBondContact O-OG1 2.81Å; M407-T410 VanDerWaalsContact O-OG1 3.05Å; T410-K412 PolarHBondContact O-N 3.11Å; T410-K412 VanDerWaalsContact O-N 3.07Å; T410-W413 PolarHBondContact O-N 2.59Å; T410-W413 VanDerWaalsContact O-N 3.09Å
411S36.9Very low45.8Very low106 Ų106120.3 Ų120.374%0.74163%0.626SS**G310 helixtrans-67.32.217149.20000114.4A408 Q409A408-S411 PolarHBondContact O-OG 2.8Å; Q409-S411 PolarHBondContact O-N 2.9Å
412K38.5Very low45.1Very low169 Ų169120 Ų12074%0.73562%0.618SS**G310 helixtrans-109.5-1168.4-73.2-170.9173.5-175.80115.3Q409 T410 Q414Q409-K412 PolarHBondContact O-N 2.97Å; T410-K412 PolarHBondContact O-N 3.11Å; T410-K412 VanDerWaalsContact O-N 3.07Å; K412-Q414 PolarHBondContact O-N 3.12Å
413W38.5Very low45.1Very low209 Ų209123.6 Ų123.679%0.79262%0.624SS**THydrogen-bonded Turntrans-97.828.6-175.6-74.675.6000114.3T410T410-W413 PolarHBondContact O-N 2.59Å; T410-W413 VanDerWaalsContact O-N 3.09Å
414Q34.3Very low45.2Very low200 Ų200121.7 Ų121.794%0.93561%0.613SS**THydrogen-bonded Turntrans-108.116.6171.5-78.8-164.8-25.100113.6K412K412-Q414 PolarHBondContact O-N 3.12Å
415A33.4Very low45Very low87 Ų87120.2 Ų120.272%0.71960%0.598SS**  trans-144.753.7-174.100000114.7
416E36.3Very low45.4Very low176 Ų176113.1 Ų113.182%0.82257%0.571SS**  trans-136132.2154.3-75.8-158.9153.600111.1
417P41.8Very low46.6Very low120 Ų120110.9 Ų110.978%0.77956%0.559SS**PPolyproline II helixtrans-74.9132.217330.9-31.2000109.6R419P417-R419 PolarHBondContact O-N 2.91Å; P417-R419 VanDerWaalsContact O-N 3.09Å
418R41.4Very low47.2Very low242 Ų242110.1 Ų110.191%0.91355%0.554SS**PPolyproline II helixtrans-59.9116.6169.1-67.6-178.7178.9-179.5-0.5108.3P420R418-P420 WeakPolarHBondContact O-CD 3.47Å
419R40.9Very low48Very low165 Ų165111 Ų11162%0.62357%0.569SS**PPolyproline II helixtrans-58119.5178.1-59-169.9-161.8-159.7-4.9109.4P417 T457 E458P417-R419 PolarHBondContact O-N 2.91Å; P417-R419 VanDerWaalsContact O-N 3.09Å; R419-T457 WeakPolarHBondContact CD-O 3.41Å; R419-E458 PolarHBondContact NH1-OXT 3.36Å
420P40.7Very low49.1Very low81 Ų81109.2 Ų109.253%0.52657%0.566SS.*PPolyproline II helixtrans-64.4141.6177.923.3-31000110.9R418 T457R418-P420 WeakPolarHBondContact O-CD 3.47Å; P420-T457 VanDerWaalsContact CD-OG1 3.24Å; P420-T457 WeakPolarHBondContact CD-OG1 3.34Å; P420-T457 HydrophobicContact CG-CG2 4.07Å; P420-T457 WeakPolarHBondContact CG-OG1 3.46Å; P420-T457 PolarHBondContact O-N 3.04Å; P420-T457 PolarHBondContact O-OG1 2.86Å; P420-T457 VanDerWaalsContact O-OG1 3.11Å
421V40.3Very low50.5Low70 Ų70114.1 Ų114.142%0.42458%0.583SS.*EExtended strand (participates in β ladder)trans-88.5117.7168.3-179.10000107F423 C454 L456V421-F423 HydrophobicContact CB-CE2 4.26Å; V421-F423 HydrophobicContact CG1-CD2 4.28Å; V421-F423 HydrophobicContact CG1-CE1 4.37Å; V421-F423 HydrophobicContact CG1-CE2 3.66Å; V421-F423 HydrophobicContact CG1-CZ 3.72Å; V421-C454 WeakPolarHBondContact CG1-SG 3.29Å; V421-L456 HydrophobicContact CG2-CD2 4.08Å
422L43.7Very low52.5Low76 Ų76117.1 Ų117.140%0.39858%0.583SS.*EExtended strand (participates in β ladder)trans-93.8129.9178.9-152.172.5000109.3E424 T455 T457L422-E424 HydrophobicContact CD2-CG 3.91Å; L422-E424 WeakPolarHBondContact CD2-OE1 3.37Å; L422-E424 HydrophobicContact CG-CG 4.04Å; L422-T455 PolarHBondContact N-O 3.18Å; L422-T455 PolarHBondContact O-N 3.22Å; L422-T457 HydrophobicContact CB-CG2 4.19Å
423F48.4Very low54.2Low126 Ų126112 Ų11255%0.55357%0.567SS**EExtended strand (participates in β ladder)trans-112114.5175.1-68.1-82.3000109V421 I452 L453 C454V421-F423 HydrophobicContact CB-CE2 4.26Å; V421-F423 HydrophobicContact CG1-CD2 4.28Å; V421-F423 HydrophobicContact CG1-CE1 4.37Å; V421-F423 HydrophobicContact CG1-CE2 3.66Å; V421-F423 HydrophobicContact CG1-CZ 3.72Å; F423-I452 HydrophobicContact CB-CG2 4.23Å; F423-I452 HydrophobicContact CD1-CG2 3.89Å; F423-L453 WeakPolarHBondContact CA-O 3.47Å; F423-C454 HydrophobicContact CD1-CB 4.16Å; F423-C454 HydrophobicContact CE1-CB 4.03Å
424E57.4Low55.8Low51 Ų51103.8 Ų103.824%0.23854%0.539CS..EExtended strand (participates in β ladder)trans-119.8131.5-172.4-63.9-172.3125.500110.4L422 P433 I452 L453L422-E424 HydrophobicContact CD2-CG 3.91Å; L422-E424 WeakPolarHBondContact CD2-OE1 3.37Å; L422-E424 HydrophobicContact CG-CG 4.04Å; E424-P433 HydrophobicContact CB-CB 4.06Å; E424-P433 HydrophobicContact CB-CG 4.05Å; E424-P433 HydrophobicContact CG-CB 4.3Å; E424-P433 HydrophobicContact CG-CG 4.11Å; E424-P433 WeakPolarHBondContact OE1-CG 3.45Å; E424-I452 CarbonylContact O-C 3.59Å; E424-I452 WeakPolarHBondContact O-CA 3.14Å; E424-L453 HydrophobicContact CB-CB 4.5Å; E424-L453 PolarHBondContact N-O 2.96Å; E424-L453 PolarHBondContact O-N 3.19Å
425I57.4Low57.8Low50 Ų5097 Ų9726%0.25651%0.513SS..EExtended strand (participates in β ladder)trans-88.9116178-57.6177.5000108.1L434 F439I425-L434 HydrophobicContact CG2-CD1 4.27Å; I425-L434 WeakPolarHBondContact O-CB 3.42Å; I425-L434 PolarHBondContact O-N 2.88Å; I425-F439 HydrophobicContact CD1-CD2 4.5Å; I425-F439 HydrophobicContact CD1-CG 4.47Å; I425-F439 HydrophobicContact CG2-CD2 3.72Å; I425-F439 HydrophobicContact CG2-CE2 3.87Å
426V74.2Confident59.2Low4 Ų496.7 Ų96.72%0.02451%0.511CS..EExtended strand (participates in β ladder)trans-117.8131.8-179.2-1020000110.4S430 K432 S450 K451 L453V426-S430 WeakPolarHBondContact CG1-O 3.3Å; V426-K432 VanDerWaalsContact CG1-O 3.31Å; V426-K432 WeakPolarHBondContact CG1-O 3.44Å; V426-S450 CarbonylContact O-C 3.57Å; V426-S450 WeakPolarHBondContact O-CA 3.45Å; V426-K451 HydrophobicContact CG2-CG 4.43Å; V426-K451 WeakPolarHBondContact CG2-O 3.42Å; V426-K451 PolarHBondContact N-O 2.98Å; V426-K451 WeakPolarHBondContact O-CG 3.2Å; V426-K451 PolarHBondContact O-N 3.41Å; V426-L453 HydrophobicContact CG2-CB 3.83Å; V426-L453 HydrophobicContact CG2-CD1 4.35Å
427N72.7Confident61Low28 Ų2892.6 Ų92.615%0.1550%0.502CS..  trans-74.2154.3178.9-139.8-24.2000111.7G429 S430 L434 E446 S450N427-G429 PolarHBondContact O-N 2.92Å; N427-S430 PolarHBondContact O-N 3.04Å; N427-L434 HydrophobicContact CB-CD1 4.18Å; N427-E446 PolarHBondContact OD1-O 2.93Å; N427-E446 VanDerWaalsContact OD1-O 3.14Å; N427-S450 PolarHBondContact OD1-OG 3.43Å
428E66.7Low62.6Low120 Ų12089.8 Ų89.856%0.56148%0.482SS*.THydrogen-bonded Turntrans-60.9109.2-179.2-167.1169.4-133.300111.3R449E428-R449 HydrophobicContact CB-CB 3.84Å; E428-R449 HydrophobicContact CB-CG 4.27Å; E428-R449 VanDerWaalsContact CB-O 3.32Å; E428-R449 WeakPolarHBondContact CB-O 3.25Å; E428-R449 PolarHBondContact N-O 3.21Å; E428-R449 WeakPolarHBondContact OE2-CD 3.37Å; E428-R449 WeakPolarHBondContact OE2-CG 3.49Å; E428-R449 IonicContact OE2-CZ 3.82Å; E428-R449 IonicContact OE2-NE 3.02Å; E428-R449 PolarHBondContact OE2-NE 2.99Å
429G72.9Confident64.2Low83 Ų8380.6 Ų80.686%0.85645%0.449SS*.THydrogen-bonded Turntrans100.11.1-175.600000115.1N427N427-G429 PolarHBondContact O-N 2.92Å
430S72.7Confident65.4Low49 Ų4977.6 Ų77.634%0.34345%0.452SS..  trans-111.9138.7172.3-178.80000111.1V426 N427 K432V426-S430 WeakPolarHBondContact CG1-O 3.3Å; N427-S430 PolarHBondContact O-N 3.04Å; S430-K432 PolarHBondContact OG-N 3.28Å; S430-K432 PolarHBondContact OG-O 3.05Å
431E72.1Confident67.2Low185 Ų18578.1 Ų78.186%0.86446%0.458SS*.  trans-93.4-9163.8-65-173.8163.400112.4
432K78.4Confident68.7Low168 Ų16876.5 Ų76.573%0.7345%0.446SS*.SBendtrans-81.5127.4178.7-76.2-171.1174.8-176.90112V426 S430V426-K432 VanDerWaalsContact CG1-O 3.31Å; V426-K432 WeakPolarHBondContact CG1-O 3.44Å; S430-K432 PolarHBondContact OG-N 3.28Å; S430-K432 PolarHBondContact OG-O 3.05Å
433P73.4Confident70.2Confident63 Ų6375.7 Ų75.741%0.40945%0.447SS..EExtended strand (participates in β ladder)trans-57.3140.9172.2-24.834.2000112.9E424E424-P433 HydrophobicContact CB-CB 4.06Å; E424-P433 HydrophobicContact CB-CG 4.05Å; E424-P433 HydrophobicContact CG-CB 4.3Å; E424-P433 HydrophobicContact CG-CG 4.11Å; E424-P433 WeakPolarHBondContact OE1-CG 3.45Å
434L73Confident70.8Confident36 Ų3675.7 Ų75.719%0.18845%0.452CS..EExtended strand (participates in β ladder)trans-88.3129.2167.6-64.7168.3000109.1I425 N427 T438 F439 L442I425-L434 HydrophobicContact CG2-CD1 4.27Å; I425-L434 WeakPolarHBondContact O-CB 3.42Å; I425-L434 PolarHBondContact O-N 2.88Å; N427-L434 HydrophobicContact CB-CD1 4.18Å; L434-T438 HydrophobicContact CD2-CG2 3.83Å; L434-F439 HydrophobicContact CB-CB 4.4Å; L434-F439 HydrophobicContact CD1-CD2 4.07Å; L434-L442 HydrophobicContact CD1-CD1 3.77Å
435S75.5Confident71.3Confident58 Ų5880.4 Ų80.441%0.40647%0.472SS..PPolyproline II helixtrans-66.4156.5166.170.80000110.1S437 T438 F439S435-S437 PolarHBondContact O-N 3.39Å; S435-S437 PolarHBondContact OG-OG 3.22Å; S435-T438 PolarHBondContact O-N 3.18Å; S435-T438 VanDerWaalsContact O-N 3.1Å; S435-T438 WeakPolarHBondContact OG-CB 3.41Å; S435-T438 PolarHBondContact OG-N 2.95Å; S435-T438 PolarHBondContact OG-OG1 3.46Å; S435-F439 PolarHBondContact O-N 2.83Å
436A63.4Low71.8Confident80 Ų8081.9 Ų81.966%0.66148%0.478SS*.Hα-helixtrans-55.8-38.717700000112.5C440A436-C440 WeakPolarHBondContact O-CB 3.49Å; A436-C440 PolarHBondContact O-N 3.12Å; A436-C440 VanDerWaalsContact O-N 3.09Å; A436-C440 PolarHBondContact O-SG 3.18Å
437S74.3Confident71.4Confident90 Ų9084.3 Ų84.363%0.62949%0.489SS*.Hα-helixtrans-66.2-41.2176.251.30000112.9S435 S441S435-S437 PolarHBondContact O-N 3.39Å; S435-S437 PolarHBondContact OG-OG 3.22Å; S437-S441 PolarHBondContact O-N 2.98Å
438T76.1Confident71Confident61 Ų6189.7 Ų89.737%0.37452%0.517SS..Hα-helixtrans-67.4-44.7176.7-55.80000110.7L434 S435 C440 S441 L442L434-T438 HydrophobicContact CD2-CG2 3.83Å; S435-T438 PolarHBondContact O-N 3.18Å; S435-T438 VanDerWaalsContact O-N 3.1Å; S435-T438 WeakPolarHBondContact OG-CB 3.41Å; S435-T438 PolarHBondContact OG-N 2.95Å; S435-T438 PolarHBondContact OG-OG1 3.46Å; T438-C440 PolarHBondContact O-N 3.31Å; T438-S441 PolarHBondContact O-N 3.38Å; T438-S441 PolarHBondContact O-OG 2.94Å; T438-L442 PolarHBondContact O-N 3.35Å
439F73.2Confident71.2Confident48 Ų4890.2 Ų90.221%0.21151%0.514CS..Hα-helixtrans-58-49.2178.3-176.8-96.2000111.9I425 L434 S435 S441 L442 E447I425-F439 HydrophobicContact CD1-CD2 4.5Å; I425-F439 HydrophobicContact CD1-CG 4.47Å; I425-F439 HydrophobicContact CG2-CD2 3.72Å; I425-F439 HydrophobicContact CG2-CE2 3.87Å; L434-F439 HydrophobicContact CB-CB 4.4Å; L434-F439 HydrophobicContact CD1-CD2 4.07Å; S435-F439 PolarHBondContact O-N 2.83Å; F439-S441 PolarHBondContact O-N 3.49Å; F439-L442 HydrophobicContact CD2-CD1 4.03Å; F439-L442 WeakPolarHBondContact O-CB 3.42Å; F439-L442 PolarHBondContact O-N 3.02Å; F439-E447 HydrophobicContact CE1-CG 4.27Å; F439-E447 HydrophobicContact CE2-CB 4.17Å; F439-E447 HydrophobicContact CE2-CG 4.19Å; F439-E447 HydrophobicContact CZ-CB 3.89Å; F439-E447 HydrophobicContact CZ-CG 3.9Å
440C67.3Low70.9Confident103 Ų10387.6 Ų87.670%0.69648%0.483SS*.THydrogen-bonded Turntrans-65.4-8.1177.3-66.60000114.7A436 T438A436-C440 WeakPolarHBondContact O-CB 3.49Å; A436-C440 PolarHBondContact O-N 3.12Å; A436-C440 VanDerWaalsContact O-N 3.09Å; A436-C440 PolarHBondContact O-SG 3.18Å; T438-C440 PolarHBondContact O-N 3.31Å
441S78.9Confident70.1Confident92 Ų9290.9 Ų90.964%0.64349%0.491SS*.THydrogen-bonded Turntrans-101.1-3.9175.272.30000113.9S437 T438 F439S437-S441 PolarHBondContact O-N 2.98Å; T438-S441 PolarHBondContact O-N 3.38Å; T438-S441 PolarHBondContact O-OG 2.94Å; F439-S441 PolarHBondContact O-N 3.49Å
442L71.6Confident69.1Low35 Ų3586.6 Ų86.618%0.18347%0.472CS..SBendtrans-70.7158.1178.8-71.7-179.8000112.1L434 T438 F439 E446 E447L434-L442 HydrophobicContact CD1-CD1 3.77Å; T438-L442 PolarHBondContact O-N 3.35Å; F439-L442 HydrophobicContact CD2-CD1 4.03Å; F439-L442 WeakPolarHBondContact O-CB 3.42Å; F439-L442 PolarHBondContact O-N 3.02Å; L442-E446 HydrophobicContact CB-CB 4.04Å; L442-E446 HydrophobicContact CD1-CB 4.08Å; L442-E446 HydrophobicContact CD2-CB 4.09Å; L442-E446 HydrophobicContact CG-CB 4.3Å; L442-E447 HydrophobicContact CB-CG 4.02Å
443S73.7Confident67.6Low59 Ų5982.4 Ų82.441%0.41346%0.458SS..  trans-70.1150.4164.172.40000110.4K445 E446 E447S443-K445 PolarHBondContact O-N 2.97Å; S443-E446 VanDerWaalsContact CB-OE2 3.28Å; S443-E446 WeakPolarHBondContact CB-OE2 3.41Å; S443-E446 PolarHBondContact N-OE2 3.48Å; S443-E446 WeakPolarHBondContact O-CA 3.13Å; S443-E446 WeakPolarHBondContact O-CB 3.3Å; S443-E446 PolarHBondContact O-N 3.47Å; S443-E446 PolarHBondContact OG-OE2 3.35Å; S443-E447 PolarHBondContact O-N 3.31Å
444L62.2Low66.4Low126 Ų12683.2 Ų83.266%0.6646%0.464SS*.Hα-helixtrans-51.2-29.4177-171.373.5000113E447 L448L444-E447 WeakPolarHBondContact CD1-OE2 3.35Å; L444-L448 HydrophobicContact CG-CD1 4.37Å; L444-L448 WeakPolarHBondContact O-CB 3.36Å; L444-L448 WeakPolarHBondContact O-CD1 3.48Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.38Å; L444-L448 VanDerWaalsContact O-N 3.13Å
445K67.9Low65.2Low150 Ų15083.9 Ų83.965%0.65247%0.47SS*.Hα-helixtrans-70.3-30.4177.4-171.9-177.9178.6-174.90113S443S443-K445 PolarHBondContact O-N 2.97Å
446E68.2Low63.5Low82 Ų8286.4 Ų86.438%0.38348%0.478SS..Hα-helixtrans-87.6-35.9177.9-67.4161.5124.700111.3N427 L442 S443 L448 R449 S450N427-E446 PolarHBondContact OD1-O 2.93Å; N427-E446 VanDerWaalsContact OD1-O 3.14Å; L442-E446 HydrophobicContact CB-CB 4.04Å; L442-E446 HydrophobicContact CD1-CB 4.08Å; L442-E446 HydrophobicContact CD2-CB 4.09Å; L442-E446 HydrophobicContact CG-CB 4.3Å; S443-E446 VanDerWaalsContact CB-OE2 3.28Å; S443-E446 WeakPolarHBondContact CB-OE2 3.41Å; S443-E446 PolarHBondContact N-OE2 3.48Å; S443-E446 WeakPolarHBondContact O-CA 3.13Å; S443-E446 WeakPolarHBondContact O-CB 3.3Å; S443-E446 PolarHBondContact O-N 3.47Å; S443-E446 PolarHBondContact OG-OE2 3.35Å; E446-L448 VanDerWaalsContact C-N 3.3Å; E446-L448 PolarHBondContact O-N 3.39Å; E446-R449 PolarHBondContact O-N 3.41Å; E446-R449 VanDerWaalsContact O-N 3.1Å; E446-S450 PolarHBondContact O-N 3.01Å; E446-S450 PolarHBondContact O-OG 2.94Å; E446-S450 VanDerWaalsContact O-OG 3.08Å
447E65Low62.8Low54 Ų5484.7 Ų84.725%0.25246%0.459SS..Hα-helixtrans-55.3-47.1168.2-67.1-173.3144.800110.9F439 L442 S443 L444 R449 S450F439-E447 HydrophobicContact CE1-CG 4.27Å; F439-E447 HydrophobicContact CE2-CB 4.17Å; F439-E447 HydrophobicContact CE2-CG 4.19Å; F439-E447 HydrophobicContact CZ-CB 3.89Å; F439-E447 HydrophobicContact CZ-CG 3.9Å; L442-E447 HydrophobicContact CB-CG 4.02Å; S443-E447 PolarHBondContact O-N 3.31Å; L444-E447 WeakPolarHBondContact CD1-OE2 3.35Å; E447-R449 PolarHBondContact O-N 3.38Å; E447-S450 WeakPolarHBondContact O-CB 3.45Å; E447-S450 PolarHBondContact O-N 3.05Å
448L63.4Low61.3Low141 Ų14191 Ų9174%0.73848%0.479SS*.THydrogen-bonded Turntrans-65.9-14.8178-74.2171.1000114.7L444 E446L444-L448 HydrophobicContact CG-CD1 4.37Å; L444-L448 WeakPolarHBondContact O-CB 3.36Å; L444-L448 WeakPolarHBondContact O-CD1 3.48Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.38Å; L444-L448 VanDerWaalsContact O-N 3.13Å; E446-L448 VanDerWaalsContact C-N 3.3Å; E446-L448 PolarHBondContact O-N 3.39Å
449R71.3Confident60.6Low131 Ų13192.6 Ų92.649%0.49448%0.484SS..THydrogen-bonded Turntrans-96.8-5174.9-81.8-176.5153.6167.80.5113.2E428 E446 E447E428-R449 HydrophobicContact CB-CB 3.84Å; E428-R449 HydrophobicContact CB-CG 4.27Å; E428-R449 VanDerWaalsContact CB-O 3.32Å; E428-R449 WeakPolarHBondContact CB-O 3.25Å; E428-R449 PolarHBondContact N-O 3.21Å; E428-R449 WeakPolarHBondContact OE2-CD 3.37Å; E428-R449 WeakPolarHBondContact OE2-CG 3.49Å; E428-R449 IonicContact OE2-CZ 3.82Å; E428-R449 IonicContact OE2-NE 3.02Å; E428-R449 PolarHBondContact OE2-NE 2.99Å; E446-R449 PolarHBondContact O-N 3.41Å; E446-R449 VanDerWaalsContact O-N 3.1Å; E447-R449 PolarHBondContact O-N 3.38Å
450S67Low59.9Low29 Ų2994.9 Ų94.920%0.20350%0.499CS..  trans-81.2140.9178.8-60.90000111.7V426 N427 E446 E447V426-S450 CarbonylContact O-C 3.57Å; V426-S450 WeakPolarHBondContact O-CA 3.45Å; N427-S450 PolarHBondContact OD1-OG 3.43Å; E446-S450 PolarHBondContact O-N 3.01Å; E446-S450 PolarHBondContact O-OG 2.94Å; E446-S450 VanDerWaalsContact O-OG 3.08Å; E447-S450 WeakPolarHBondContact O-CB 3.45Å; E447-S450 PolarHBondContact O-N 3.05Å
451K55.2Low59.5Low118 Ų11894.4 Ų94.451%0.51349%0.488SS..EExtended strand (participates in β ladder)trans-125.7149.8-17939.6-179.7170.5-179.60109.4V426V426-K451 HydrophobicContact CG2-CG 4.43Å; V426-K451 WeakPolarHBondContact CG2-O 3.42Å; V426-K451 PolarHBondContact N-O 2.98Å; V426-K451 WeakPolarHBondContact O-CG 3.2Å; V426-K451 PolarHBondContact O-N 3.41Å
452I51.5Low58.4Low94 Ų9494.6 Ų94.648%0.48248%0.479SS..EExtended strand (participates in β ladder)trans-91.9116.6179.7-61.4171.8000108.3F423 E424F423-I452 HydrophobicContact CB-CG2 4.23Å; F423-I452 HydrophobicContact CD1-CG2 3.89Å; E424-I452 CarbonylContact O-C 3.59Å; E424-I452 WeakPolarHBondContact O-CA 3.14Å
453L47.8Very low57.5Low81 Ų8198.3 Ų98.342%0.42450%0.497SS..EExtended strand (participates in β ladder)trans-83.3137.4165.2-143.975000108.6F423 E424 V426 T455F423-L453 WeakPolarHBondContact CA-O 3.47Å; E424-L453 HydrophobicContact CB-CB 4.5Å; E424-L453 PolarHBondContact N-O 2.96Å; E424-L453 PolarHBondContact O-N 3.19Å; V426-L453 HydrophobicContact CG2-CB 3.83Å; V426-L453 HydrophobicContact CG2-CD1 4.35Å; L453-T455 HydrophobicContact CD2-CG2 4.14Å
454C46.8Very low56.5Low80 Ų80100.9 Ų100.954%0.54150%0.503SS..EExtended strand (participates in β ladder)trans-116.5111.2174-178.80000107.2V421 F423V421-C454 WeakPolarHBondContact CG1-SG 3.29Å; F423-C454 HydrophobicContact CD1-CB 4.16Å; F423-C454 HydrophobicContact CE1-CB 4.03Å
455T48.7Very low56Low50 Ų5099.1 Ų99.131%0.30749%0.492SS..EExtended strand (participates in β ladder)trans-116.9124.2-178.930.40000109.1L422 L453 T457L422-T455 PolarHBondContact N-O 3.18Å; L422-T455 PolarHBondContact O-N 3.22Å; L453-T455 HydrophobicContact CD2-CG2 4.14Å; T455-T457 PolarHBondContact O-N 3.07Å
456L39.9Very low55.1Low111 Ų11195.2 Ų95.258%0.58148%0.479SS*.EExtended strand (participates in β ladder)trans-68.9119.8161.4-74.9161.3000106.3V421V421-L456 HydrophobicContact CG2-CD2 4.08Å
457T48.9Very low54Low43 Ų4396.3 Ų96.326%0.26449%0.487SS..  trans-64.6139.817162.20000109.1R419 P420 L422 T455R419-T457 WeakPolarHBondContact CD-O 3.41Å; P420-T457 VanDerWaalsContact CD-OG1 3.24Å; P420-T457 WeakPolarHBondContact CD-OG1 3.34Å; P420-T457 HydrophobicContact CG-CG2 4.07Å; P420-T457 WeakPolarHBondContact CG-OG1 3.46Å; P420-T457 PolarHBondContact O-N 3.04Å; P420-T457 PolarHBondContact O-OG1 2.86Å; P420-T457 VanDerWaalsContact O-OG1 3.11Å; L422-T457 HydrophobicContact CB-CG2 4.19Å; T455-T457 PolarHBondContact O-N 3.07Å
458E42.8Very low53Low224 Ų224100.2 Ų100.2100%1.04751%0.509SS*.  trans-55.10-179.5-65.4-170.5146.600113.9R419R419-E458 PolarHBondContact NH1-OXT 3.36Å

Retrieved 458 of 458 residues in 714.8 ms (Link to these results)

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