A0A3Q0KQW9_SCHMA Loading...

ethanolamine-phosphate cytidylyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KQW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 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
1M44.5Very low65Low244 Ų244143.1 Ų143.1100%1.20276%0.762SS**  0101.20-71.6175164.900107.8S3M1-S3 PolarHBondContact O-N 2.76Å
2H45.9Very low67.8Low199 Ų199134.4 Ų134.492%0.92172%0.715SS**  trans-79102.4170-88.5-50.7000107.8T4H2-T4 PolarHBondContact O-N 3.33Å; H2-T4 VanDerWaalsContact O-N 3.15Å
3S47.1Very low70.1Confident113 Ų113127.2 Ų127.279%0.7967%0.672SS**  trans-70.7103.9165.966.40000107.5M1 S5M1-S3 PolarHBondContact O-N 2.76Å; S3-S5 PolarHBondContact O-N 3.37Å
4T49.9Very low72.2Confident126 Ų126118.1 Ų118.177%0.77362%0.624SS**  trans-61.6107.316326.90000107.2H2 T6H2-T4 PolarHBondContact O-N 3.33Å; H2-T4 VanDerWaalsContact O-N 3.15Å; T4-T6 VanDerWaalsContact C-N 3.35Å; T4-T6 PolarHBondContact O-N 2.61Å
5S52.8Low74Confident112 Ų112110.3 Ų110.378%0.78358%0.582SS**  trans-63.6100.8170.267.50000107.2S3 N7S3-S5 PolarHBondContact O-N 3.37Å; S5-N7 PolarHBondContact O-N 3.2Å
6T56.3Low75.5Confident108 Ų108104.1 Ų104.166%0.66355%0.55SS**  trans-61.4109.2167.749.30000106.3T4 N8T4-T6 VanDerWaalsContact C-N 3.35Å; T4-T6 PolarHBondContact O-N 2.61Å; T6-N8 VanDerWaalsContact C-N 3.31Å; T6-N8 PolarHBondContact O-N 2.82Å
7N62.2Low76.8Confident148 Ų14898.2 Ų98.279%0.79152%0.519SS*.  trans-65.493-179.2-165.41.8000108.1S5 R9S5-N7 PolarHBondContact O-N 3.2Å; N7-R9 PolarHBondContact O-N 3.14Å
8N77.5Confident77.9Confident150 Ų15093.2 Ų93.280%0.80250%0.495SS*.  trans-70.931.6-175.8-89.1-5.9000113.2T6 K10T6-N8 VanDerWaalsContact C-N 3.31Å; T6-N8 PolarHBondContact O-N 2.82Å; N8-K10 PolarHBondContact O-N 2.88Å
9R90.1Very high78.9Confident177 Ų17789.4 Ų89.467%0.66848%0.476SS*.PPolyproline II helixtrans-69.4128.7175.6-173.5-175167.1101.53.2108.8N7N7-R9 PolarHBondContact O-N 3.14Å
10K92.8Very high79.7Confident137 Ų13785.5 Ų85.560%0.59646%0.455SS*.PPolyproline II helixtrans-54.7132.7172-176.3-171.4174.7-164.50109.7N8 I12N8-K10 PolarHBondContact O-N 2.88Å; K10-I12 PolarHBondContact O-N 3.35Å
11P95.8Very high80.5Confident60 Ų6081.6 Ų81.639%0.3943%0.434SS..PPolyproline II helixtrans-62.2136.3177.425.7-34.3000110.8D39P11-D39 WeakPolarHBondContact CA-OD2 3.41Å; P11-D39 HydrophobicContact CB-CB 3.93Å
12I98.3Very high82.9Confident39 Ų3970.3 Ų70.320%0.238%0.379CS..PPolyproline II helixtrans-78120.3175.1-58.9175.3000108.5K10 D39 Q40 D97 F98K10-I12 PolarHBondContact O-N 3.35Å; I12-D39 PolarHBondContact N-OD2 3.23Å; I12-D39 PolarHBondContact O-N 3.06Å; I12-Q40 PolarHBondContact O-N 3.03Å; I12-Q40 VanDerWaalsContact O-N 3.08Å; I12-D97 VanDerWaalsContact CA-OD2 3.31Å; I12-D97 WeakPolarHBondContact CA-OD2 3.28Å; I12-D97 HydrophobicContact CG2-CB 4.46Å; I12-F98 HydrophobicContact CG2-CE1 3.72Å; I12-F98 HydrophobicContact CG2-CZ 4.21Å
13R98.7Very high85.3Confident40 Ų4061.4 Ų61.415%0.15134%0.338CS..EExtended strand (participates in β ladder)trans-104.2120.7179.2-75.2178.366.989-5.6109.8Q40 I42 E77 Y94 S95 C96 D97R13-Q40 CarbonylContact C-O 3.59Å; R13-Q40 WeakPolarHBondContact CA-O 3.32Å; R13-Q40 HydrophobicContact CG-CB 4.01Å; R13-I42 HydrophobicContact CB-CD1 3.78Å; R13-I42 HydrophobicContact CG-CD1 4.04Å; R13-I42 VanDerWaalsContact NH2-CG1 3.26Å; R13-E77 IonicContact CZ-OE2 2.66Å; R13-E77 IonicContact NH1-OE2 2.72Å; R13-E77 IonicContact NH2-OE2 3.69Å; R13-E77 PolarHBondContact NH2-OE2 3.34Å; R13-Y94 PolarHBondContact NE-O 3.12Å; R13-Y94 VanDerWaalsContact NE-O 3.11Å; R13-Y94 PolarHBondContact NH2-O 3.11Å; R13-S95 VanDerWaalsContact CB-O 3.31Å; R13-S95 WeakPolarHBondContact CB-O 3.39Å; R13-S95 VanDerWaalsContact CD-O 3.31Å; R13-S95 WeakPolarHBondContact CD-O 3.35Å; R13-C96 HydrophobicContact CB-CB 4.48Å; R13-C96 CarbonylContact O-C 3.6Å; R13-C96 WeakPolarHBondContact O-CA 3.44Å; R13-D97 PolarHBondContact N-OD2 2.8Å; R13-D97 PolarHBondContact O-N 2.87Å
14V98.9Very high87.6Confident0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-101.3129.7-178.5-176.70000109.2A34 L37 Q40 L41 I42 F98 V100V14-A34 HydrophobicContact CG1-CB 4.21Å; V14-L37 HydrophobicContact CG2-CB 4.48Å; V14-Q40 PolarHBondContact N-O 3Å; V14-L41 HydrophobicContact CB-CD1 4.13Å; V14-L41 HydrophobicContact CG1-CD1 4.03Å; V14-I42 WeakPolarHBondContact O-CD1 3.49Å; V14-I42 PolarHBondContact O-N 2.64Å; V14-F98 HydrophobicContact CB-CE2 4.44Å; V14-F98 HydrophobicContact CG1-CD2 4.45Å; V14-F98 HydrophobicContact CG1-CE2 3.93Å; V14-F98 HydrophobicContact CG2-CE2 3.88Å; V14-F98 HydrophobicContact CG2-CZ 3.71Å; V14-V100 HydrophobicContact CG1-CB 4.06Å; V14-V100 HydrophobicContact CG1-CG2 3.4Å
15W98.8Very high89.8Confident1 Ų150.3 Ų50.30%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-97.6133.1171.9179.7-93.4000110.3D17 I42 V79 A82 T90 L91 Y94 C96 F98 C99 V100W15-D17 HydrophobicContact CZ2-CB 4.19Å; W15-D17 PolarHBondContact NE1-OD2 3.37Å; W15-I42 WeakPolarHBondContact CA-O 3.49Å; W15-I42 HydrophobicContact CE3-CB 4.04Å; W15-I42 HydrophobicContact CE3-CG2 3.6Å; W15-I42 HydrophobicContact CZ3-CB 4.47Å; W15-I42 HydrophobicContact CZ3-CG2 3.55Å; W15-V79 HydrophobicContact CH2-CB 3.81Å; W15-V79 HydrophobicContact CH2-CG1 3.93Å; W15-V79 HydrophobicContact CH2-CG2 4.07Å; W15-V79 HydrophobicContact CZ3-CB 4.05Å; W15-V79 HydrophobicContact CZ3-CG1 4.47Å; W15-V79 HydrophobicContact CZ3-CG2 3.79Å; W15-A82 HydrophobicContact CH2-CB 4.42Å; W15-A82 HydrophobicContact CZ2-CB 4.14Å; W15-T90 HydrophobicContact CH2-CG2 4.11Å; W15-T90 HydrophobicContact CZ2-CG2 3.82Å; W15-L91 HydrophobicContact CB-CD2 3.47Å; W15-L91 VanDerWaalsContact CB-CD2 3.47Å; W15-L91 HydrophobicContact CD2-CD2 4.41Å; W15-L91 HydrophobicContact CG-CD2 3.62Å; W15-Y94 HydrophobicContact CE3-CD2 4.12Å; W15-Y94 HydrophobicContact CE3-CG 4.46Å; W15-Y94 AromaticContact CH2-CD2 3.68Å; W15-Y94 HydrophobicContact CH2-CD2 3.68Å; W15-Y94 AromaticContact CH2-CE2 3.8Å; W15-Y94 HydrophobicContact CH2-CE2 3.8Å; W15-Y94 AromaticContact CZ3-CD2 3.32Å; W15-Y94 HydrophobicContact CZ3-CD2 3.32Å; W15-Y94 AromaticContact CZ3-CE2 3.9Å; W15-Y94 HydrophobicContact CZ3-CE2 3.9Å; W15-Y94 AromaticContact CZ3-CG 3.78Å; W15-Y94 HydrophobicContact CZ3-CG 3.78Å; W15-C96 HydrophobicContact CB-CB 3.74Å; W15-F98 PolarHBondContact N-O 3.22Å; W15-C99 CarbonylContact O-C 3.58Å; W15-C99 VanDerWaalsContact O-CA 3.29Å; W15-C99 WeakPolarHBondContact O-CA 3.37Å; W15-V100 PolarHBondContact O-N 2.83Å
16V98.7Very high91.9Very high12 Ų1245.3 Ų45.37%0.07323%0.231CC..EExtended strand (participates in β ladder)trans-128.2140.3164.2176.20000107.1F20 L31 A34 L41 I42 V43 G44 V100V16-F20 HydrophobicContact CG1-CZ 4.05Å; V16-L31 HydrophobicContact CB-CD2 4.23Å; V16-L31 HydrophobicContact CG1-CD2 3.94Å; V16-A34 HydrophobicContact CG2-CB 3.37Å; V16-L41 HydrophobicContact CB-CD1 4.28Å; V16-L41 HydrophobicContact CG2-CD1 3.63Å; V16-I42 PolarHBondContact N-O 2.65Å; V16-V43 CarbonylContact O-C 3.57Å; V16-V43 WeakPolarHBondContact O-CA 3.42Å; V16-G44 PolarHBondContact O-N 3.22Å; V16-V100 HydrophobicContact CG2-CB 3.93Å; V16-V100 HydrophobicContact CG2-CG1 4.45Å
17D98.1Very high93.8Very high4 Ų441.9 Ų41.92%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-130.3162.517060.975.7000113.1W15 G44 H46 T86 Y115W15-D17 HydrophobicContact CZ2-CB 4.19Å; W15-D17 PolarHBondContact NE1-OD2 3.37Å; D17-G44 CarbonylContact C-O 3.57Å; D17-G44 WeakPolarHBondContact CA-O 3.04Å; D17-G44 WeakPolarHBondContact CB-O 3.28Å; D17-H46 IonicContact OD1-CE1 2.74Å; D17-H46 PolarHBondContact OD1-CE1 2.91Å; D17-H46 IonicContact OD1-NE2 2.8Å; D17-T86 VanDerWaalsContact CG-OG1 3.3Å; D17-T86 PolarHBondContact OD2-OG1 3.46Å; D17-Y115 PolarHBondContact OD1-OH 3.46Å
18G96.5Very high95.5Very high8 Ų834.9 Ų34.98%0.08217%0.17CC..EExtended strand (participates in β ladder)trans170179.9179.500000115.3F20 G44 H46G18-F20 WeakPolarHBondContact O-CD2 3.46Å; G18-G44 PolarHBondContact N-O 2.85Å; G18-G44 VanDerWaalsContact N-O 3.13Å; G18-H46 WeakPolarHBondContact CA-NE2 3.38Å; G18-H46 PolarHBondContact O-CD2 2.98Å; G18-H46 PolarHBondContact O-N 3.3Å; G18-H46 VanDerWaalsContact O-N 3.14Å
19C95.4Very high96.5Very high20 Ų2027.8 Ų27.814%0.13513%0.132CC..  trans-75-48.7175.3-175.70000111.5D21 I51 R65C19-D21 VanDerWaalsContact C-N 3.25Å; C19-D21 PolarHBondContact O-N 2.89Å; C19-D21 VanDerWaalsContact SG-CB 3.56Å; C19-I51 HydrophobicContact CB-CD1 3.49Å; C19-I51 VanDerWaalsContact CB-CD1 3.49Å; C19-I51 HydrophobicContact CB-CG1 4.11Å; C19-R65 WeakPolarHBondContact O-CD 3.36Å; C19-R65 PolarHBondContact O-NH1 2.86Å
20F96.6Very high96.9Very high12 Ų1220.7 Ų20.75%0.05311%0.111CC..  trans54.637-174.2-55.8-75000114.1V16 G18 V23 H27 L31 V43 I45 I69V16-F20 HydrophobicContact CG1-CZ 4.05Å; G18-F20 WeakPolarHBondContact O-CD2 3.46Å; F20-V23 HydrophobicContact CB-CG2 4.26Å; F20-V23 WeakPolarHBondContact O-CG2 3.39Å; F20-H27 HydrophobicContact CD1-CB 4.11Å; F20-L31 HydrophobicContact CE1-CD1 4.34Å; F20-L31 HydrophobicContact CE1-CD2 4.11Å; F20-L31 HydrophobicContact CE1-CG 4.38Å; F20-L31 HydrophobicContact CZ-CD2 4.12Å; F20-V43 HydrophobicContact CD2-CG1 4.37Å; F20-V43 HydrophobicContact CE2-CG1 3.48Å; F20-V43 VanDerWaalsContact CE2-CG1 3.48Å; F20-V43 HydrophobicContact CZ-CG1 3.63Å; F20-I45 HydrophobicContact CD2-CG1 4.04Å; F20-I45 HydrophobicContact CD2-CG2 4.34Å; F20-I45 HydrophobicContact CE2-CG1 4.34Å; F20-I69 HydrophobicContact CB-CD1 3.71Å; F20-I69 HydrophobicContact CB-CG1 3.7Å; F20-I69 HydrophobicContact CD1-CD1 3.7Å; F20-I69 HydrophobicContact CD1-CG1 4.3Å; F20-I69 HydrophobicContact CD2-CD1 4.41Å; F20-I69 HydrophobicContact CD2-CG1 4.12Å; F20-I69 HydrophobicContact CE1-CD1 4.43Å; F20-I69 HydrophobicContact CG-CD1 3.68Å; F20-I69 HydrophobicContact CG-CG1 3.79Å
21D95.5Very high97.2Very high4 Ų414.1 Ų14.12%0.0218%0.083CC..THydrogen-bonded Turntrans-79145.5174.1-172.535000111.7C19 V23 H27 P58 V59 F60 T135C19-D21 VanDerWaalsContact C-N 3.25Å; C19-D21 PolarHBondContact O-N 2.89Å; C19-D21 VanDerWaalsContact SG-CB 3.56Å; D21-V23 PolarHBondContact O-N 3.21Å; D21-H27 PolarHBondContact O-CE1 3.43Å; D21-P58 HydrophobicContact CB-CB 4.04Å; D21-P58 WeakPolarHBondContact OD2-CA 3.16Å; D21-V59 VanDerWaalsContact CG-N 3.27Å; D21-V59 PolarHBondContact OD1-N 3.05Å; D21-V59 VanDerWaalsContact OD1-N 3.16Å; D21-V59 PolarHBondContact OD2-N 2.58Å; D21-F60 PolarHBondContact OD1-N 3.36Å; D21-T135 PolarHBondContact O-OG1 3.3Å; D21-T135 VanDerWaalsContact O-OG1 3.05Å
22L94.5Very high97.3Very high7 Ų713.1 Ų13.14%0.0377%0.071CC..THydrogen-bonded Turntrans43.559.9-166.8-62.7-178.3000112H24 V59 F60 T135 L138 V139 M142 V379 I383L22-H24 PolarHBondContact O-CD2 2.95Å; L22-H24 PolarHBondContact O-N 3.2Å; L22-V59 HydrophobicContact CD1-CG2 4.21Å; L22-V59 HydrophobicContact CD2-CB 4Å; L22-V59 HydrophobicContact CD2-CG1 3.9Å; L22-V59 HydrophobicContact CD2-CG2 4.31Å; L22-V59 HydrophobicContact CG-CB 4.19Å; L22-V59 HydrophobicContact CG-CG2 4.13Å; L22-F60 HydrophobicContact CD2-CD2 4.2Å; L22-F60 HydrophobicContact CD2-CE2 3.66Å; L22-F60 HydrophobicContact CD2-CZ 4.03Å; L22-T135 HydrophobicContact CB-CG2 4.15Å; L22-T135 HydrophobicContact CD1-CG2 3.86Å; L22-T135 HydrophobicContact CG-CG2 4.15Å; L22-L138 HydrophobicContact CB-CD1 4.21Å; L22-L138 HydrophobicContact CD1-CB 4.45Å; L22-V139 HydrophobicContact CD1-CG2 4.02Å; L22-M142 HydrophobicContact CD1-CE 4.02Å; L22-V379 HydrophobicContact CD2-CG1 3.73Å; L22-I383 HydrophobicContact CD1-CD1 3.97Å; L22-I383 HydrophobicContact CD2-CD1 4.43Å
23V96.4Very high97.3Very high11 Ų1112.7 Ų12.77%0.0677%0.068CC..  trans-47.3127.8-177.4-178.10000110.8F20 D21 L68 I69 M72F20-V23 HydrophobicContact CB-CG2 4.26Å; F20-V23 WeakPolarHBondContact O-CG2 3.39Å; D21-V23 PolarHBondContact O-N 3.21Å; V23-L68 HydrophobicContact CG2-CB 3.92Å; V23-L68 HydrophobicContact CG2-CD1 4.13Å; V23-I69 HydrophobicContact CG1-CD1 4.24Å; V23-I69 HydrophobicContact CG2-CD1 3.98Å; V23-M72 HydrophobicContact CG1-SD 4.37Å
24H95.5Very high97.3Very high5 Ų510.8 Ų10.82%0.0236%0.061CC..  trans-142.7168.4-175.556.160.8000110.2L22 G26 H27 A28 I133 S134 T135 L138L22-H24 PolarHBondContact O-CD2 2.95Å; L22-H24 PolarHBondContact O-N 3.2Å; H24-G26 WeakPolarHBondContact ND1-CA 3.36Å; H24-G26 PolarHBondContact ND1-N 3.3Å; H24-G26 VanDerWaalsContact ND1-N 3.16Å; H24-G26 PolarHBondContact O-N 3.32Å; H24-H27 AromaticContact CD2-CE1 3.75Å; H24-H27 AromaticContact CD2-ND1 3.81Å; H24-H27 AromaticContact CE1-CD2 3.98Å; H24-H27 AromaticContact CE1-CE1 3.61Å; H24-H27 AromaticContact CE1-CG 3.85Å; H24-H27 AromaticContact CE1-ND1 3.62Å; H24-H27 AromaticContact CE1-NE2 3.84Å; H24-H27 AromaticContact CG-ND1 3.93Å; H24-H27 PolarHBondContact ND1-N 3.15Å; H24-H27 AromaticContact ND1-ND1 3.81Å; H24-H27 AromaticContact NE2-CE1 3.3Å; H24-H27 PolarHBondContact NE2-CE1 2.94Å; H24-H27 VanDerWaalsContact NE2-CE1 3.3Å; H24-H27 AromaticContact NE2-ND1 3.65Å; H24-H27 AromaticContact NE2-NE2 3.77Å; H24-H27 WeakPolarHBondContact O-CB 3.24Å; H24-H27 PolarHBondContact O-N 2.82Å; H24-A28 PolarHBondContact O-N 2.67Å; H24-I133 HydrophobicContact CB-CG1 4.11Å; H24-S134 WeakPolarHBondContact NE2-CA 3.17Å; H24-T135 PolarHBondContact NE2-N 3.48Å; H24-L138 HydrophobicContact CB-CD1 4.04Å
25F96.8Very high97.3Very high1 Ų113 Ų130%0.0047%0.071CC..Hα-helixtrans-57-25.6-177.167.6-88.2000114.4A28 N29 T130 I133 Y226 F236 E303 L306F25-A28 PolarHBondContact O-N 2.96Å; F25-N29 WeakPolarHBondContact O-CB 3.45Å; F25-N29 PolarHBondContact O-N 3.05Å; F25-T130 HydrophobicContact CD2-CG2 4.22Å; F25-T130 HydrophobicContact CE2-CG2 3.84Å; F25-I133 HydrophobicContact CD1-CG1 4.2Å; F25-I133 HydrophobicContact CD2-CG2 4.21Å; F25-I133 HydrophobicContact CE1-CB 3.93Å; F25-I133 HydrophobicContact CE1-CD1 3.82Å; F25-I133 HydrophobicContact CE1-CG1 3.59Å; F25-I133 HydrophobicContact CE1-CG2 4.26Å; F25-I133 HydrophobicContact CE2-CB 4.07Å; F25-I133 HydrophobicContact CE2-CG1 4.49Å; F25-I133 HydrophobicContact CE2-CG2 3.63Å; F25-I133 HydrophobicContact CZ-CB 3.53Å; F25-I133 HydrophobicContact CZ-CD1 4.25Å; F25-I133 HydrophobicContact CZ-CG1 3.77Å; F25-I133 HydrophobicContact CZ-CG2 3.66Å; F25-Y226 AromaticContact CE2-CD1 3.83Å; F25-Y226 HydrophobicContact CE2-CD1 3.83Å; F25-Y226 AromaticContact CE2-CD2 3.8Å; F25-Y226 HydrophobicContact CE2-CD2 3.8Å; F25-Y226 AromaticContact CE2-CE1 3.85Å; F25-Y226 HydrophobicContact CE2-CE1 3.85Å; F25-Y226 AromaticContact CE2-CE2 3.84Å; F25-Y226 HydrophobicContact CE2-CE2 3.84Å; F25-Y226 AromaticContact CE2-CG 3.8Å; F25-Y226 HydrophobicContact CE2-CG 3.8Å; F25-Y226 AromaticContact CE2-CZ 3.87Å; F25-Y226 AromaticContact CZ-CD1 3.69Å; F25-Y226 HydrophobicContact CZ-CD1 3.69Å; F25-Y226 HydrophobicContact CZ-CD2 4.19Å; F25-Y226 HydrophobicContact CZ-CE1 4.12Å; F25-Y226 AromaticContact CZ-CG 3.72Å; F25-Y226 HydrophobicContact CZ-CG 3.72Å; F25-F236 HydrophobicContact CB-CE1 4.27Å; F25-F236 HydrophobicContact CB-CZ 4.45Å; F25-E303 HydrophobicContact CD1-CB 4.1Å; F25-E303 HydrophobicContact CD1-CG 4.46Å; F25-E303 HydrophobicContact CE1-CB 3.59Å; F25-E303 HydrophobicContact CE1-CG 3.55Å; F25-E303 HydrophobicContact CZ-CB 4.28Å; F25-E303 HydrophobicContact CZ-CG 3.75Å; F25-L306 HydrophobicContact CB-CB 3.49Å; F25-L306 VanDerWaalsContact CB-CB 3.49Å; F25-L306 HydrophobicContact CB-CD1 4.4Å; F25-L306 HydrophobicContact CD2-CB 4.36Å; F25-L306 HydrophobicContact CD2-CD1 3.71Å; F25-L306 HydrophobicContact CE2-CD1 4.16Å; F25-L306 HydrophobicContact CG-CB 3.94Å; F25-L306 HydrophobicContact CG-CD1 4.09Å
26G96Very high97.2Very high7 Ų717 Ų177%0.07210%0.099CC..Hα-helixtrans-59.1-46.4169.600000114.1H24 N29 A30H24-G26 WeakPolarHBondContact ND1-CA 3.36Å; H24-G26 PolarHBondContact ND1-N 3.3Å; H24-G26 VanDerWaalsContact ND1-N 3.16Å; H24-G26 PolarHBondContact O-N 3.32Å; G26-N29 PolarHBondContact O-N 3.49Å; G26-A30 PolarHBondContact O-N 2.93Å; G26-A30 VanDerWaalsContact O-N 3.12Å
27H97.7Very high97.2Very high37 Ų3719.4 Ų19.417%0.17111%0.111CC..Hα-helixtrans-64.2-46.5174-64.2134.8000110.7F20 D21 H24 N29 A30 L31F20-H27 HydrophobicContact CD1-CB 4.11Å; D21-H27 PolarHBondContact O-CE1 3.43Å; H24-H27 AromaticContact CD2-CE1 3.75Å; H24-H27 AromaticContact CD2-ND1 3.81Å; H24-H27 AromaticContact CE1-CD2 3.98Å; H24-H27 AromaticContact CE1-CE1 3.61Å; H24-H27 AromaticContact CE1-CG 3.85Å; H24-H27 AromaticContact CE1-ND1 3.62Å; H24-H27 AromaticContact CE1-NE2 3.84Å; H24-H27 AromaticContact CG-ND1 3.93Å; H24-H27 PolarHBondContact ND1-N 3.15Å; H24-H27 AromaticContact ND1-ND1 3.81Å; H24-H27 AromaticContact NE2-CE1 3.3Å; H24-H27 PolarHBondContact NE2-CE1 2.94Å; H24-H27 VanDerWaalsContact NE2-CE1 3.3Å; H24-H27 AromaticContact NE2-ND1 3.65Å; H24-H27 AromaticContact NE2-NE2 3.77Å; H24-H27 WeakPolarHBondContact O-CB 3.24Å; H24-H27 PolarHBondContact O-N 2.82Å; H27-N29 PolarHBondContact O-N 3.34Å; H27-A30 WeakPolarHBondContact O-CB 3.12Å; H27-A30 PolarHBondContact O-N 3.12Å; H27-A30 VanDerWaalsContact O-N 3.08Å; H27-L31 WeakPolarHBondContact O-CG 3.43Å; H27-L31 PolarHBondContact O-N 3.07Å
28A98Very high97.2Very high1 Ų120 Ų201%0.00812%0.119CC..Hα-helixtrans-56.3-40.1177.900000112.2H24 F25 L31 R32 M72 W74 F236 A310H24-A28 PolarHBondContact O-N 2.67Å; F25-A28 PolarHBondContact O-N 2.96Å; A28-L31 PolarHBondContact O-N 2.98Å; A28-R32 WeakPolarHBondContact O-CB 3.43Å; A28-R32 PolarHBondContact O-N 3.24Å; A28-M72 HydrophobicContact CB-SD 4.03Å; A28-W74 HydrophobicContact CB-CZ3 4.03Å; A28-F236 HydrophobicContact CB-CE1 3.91Å; A28-F236 HydrophobicContact CB-CZ 4.01Å; A28-A310 HydrophobicContact CB-CB 3.56Å
29N97.6Very high97.3Very high1 Ų124 Ų241%0.00514%0.138CC..Hα-helixtrans-71.1-34.7177.2-176.356000113.4F25 G26 H27 L31 R32 Q33 T130 R232 F236F25-N29 WeakPolarHBondContact O-CB 3.45Å; F25-N29 PolarHBondContact O-N 3.05Å; G26-N29 PolarHBondContact O-N 3.49Å; H27-N29 PolarHBondContact O-N 3.34Å; N29-L31 VanDerWaalsContact C-N 3.34Å; N29-R32 PolarHBondContact O-N 3.31Å; N29-R32 PolarHBondContact OD1-NE 2.69Å; N29-R32 PolarHBondContact OD1-NH2 2.69Å; N29-Q33 PolarHBondContact ND2-NE2 3.43Å; N29-Q33 VanDerWaalsContact ND2-NE2 3.1Å; N29-Q33 WeakPolarHBondContact O-CG 3.49Å; N29-Q33 PolarHBondContact O-N 3.5Å; N29-Q33 PolarHBondContact O-NE2 3.07Å; N29-T130 WeakPolarHBondContact CB-OG1 3.43Å; N29-T130 PolarHBondContact ND2-OG1 3.08Å; N29-R232 PolarHBondContact ND2-NH1 2.88Å; N29-R232 PolarHBondContact OD1-NH1 3.04Å; N29-F236 HydrophobicContact CB-CE2 3.83Å; N29-F236 HydrophobicContact CB-CZ 3.81Å
30A98.1Very high97.4Very high27 Ų2726.1 Ų26.122%0.22315%0.146CC..Hα-helixtrans-62.1-45.1172.400000110.6G26 H27 Q33 A34G26-A30 PolarHBondContact O-N 2.93Å; G26-A30 VanDerWaalsContact O-N 3.12Å; H27-A30 WeakPolarHBondContact O-CB 3.12Å; H27-A30 PolarHBondContact O-N 3.12Å; H27-A30 VanDerWaalsContact O-N 3.08Å; A30-Q33 PolarHBondContact O-N 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3.44Å
31L98.7Very high97.5Very high0 Ų025.6 Ų25.60%014%0.144CC..Hα-helixtrans-63.8-41.2176.1-62175.3000112.2V16 F20 H27 A28 N29 Q33 A34 K35 L41 V43 I69 M72 V75V16-L31 HydrophobicContact CB-CD2 4.23Å; V16-L31 HydrophobicContact CG1-CD2 3.94Å; F20-L31 HydrophobicContact CE1-CD1 4.34Å; F20-L31 HydrophobicContact CE1-CD2 4.11Å; F20-L31 HydrophobicContact CE1-CG 4.38Å; F20-L31 HydrophobicContact CZ-CD2 4.12Å; H27-L31 WeakPolarHBondContact O-CG 3.43Å; H27-L31 PolarHBondContact O-N 3.07Å; A28-L31 PolarHBondContact O-N 2.98Å; N29-L31 VanDerWaalsContact C-N 3.34Å; L31-Q33 VanDerWaalsContact C-N 3.34Å; L31-Q33 PolarHBondContact O-N 2.8Å; L31-A34 PolarHBondContact O-N 3.49Å; L31-K35 WeakPolarHBondContact O-CB 3.24Å; L31-K35 PolarHBondContact O-N 2.77Å; L31-L41 HydrophobicContact CB-CD2 3.98Å; L31-L41 HydrophobicContact CD2-CD2 4.12Å; L31-L41 WeakPolarHBondContact O-CD2 3.26Å; L31-V43 HydrophobicContact CD2-CG1 4.23Å; L31-V43 HydrophobicContact CD2-CG2 3.71Å; L31-I69 HydrophobicContact CD1-CD1 4.24Å; L31-M72 HydrophobicContact CD1-CB 4.37Å; L31-M72 HydrophobicContact CD1-CG 4.26Å; L31-V75 HydrophobicContact CD1-CG2 3.78Å
32R98.3Very high97.7Very high38 Ų3825.4 Ų25.414%0.14314%0.143CC..Hα-helixtrans-55.9-47.5172.1-177.9-16776.174.3-1.9112A28 N29 S36 W74 Q235A28-R32 WeakPolarHBondContact O-CB 3.43Å; A28-R32 PolarHBondContact O-N 3.24Å; N29-R32 PolarHBondContact O-N 3.31Å; N29-R32 PolarHBondContact OD1-NE 2.69Å; N29-R32 PolarHBondContact OD1-NH2 2.69Å; R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 VanDerWaalsContact O-N 3.1Å; R32-W74 HydrophobicContact CB-CD2 3.68Å; R32-W74 HydrophobicContact CB-CE3 4.11Å; R32-W74 HydrophobicContact CB-CG 4.1Å; R32-W74 HydrophobicContact CB-CH2 4.24Å; R32-W74 HydrophobicContact CB-CZ2 3.83Å; R32-W74 HydrophobicContact CB-CZ3 4.38Å; R32-W74 HydrophobicContact CG-CD2 4.11Å; R32-W74 VanDerWaalsContact CG-CE2 3.47Å; R32-W74 HydrophobicContact CG-CG 4.45Å; R32-W74 HydrophobicContact CG-CH2 4.46Å; R32-W74 HydrophobicContact CG-CZ2 3.65Å; R32-Q235 WeakPolarHBondContact CD-O 3.42Å
33Q98.5Very high97.9Very high30 Ų3025 Ų2514%0.1414%0.141CC..Hα-helixtrans-66-45179.5-70.9174.310300111N29 A30 L31 K35 S36 V127 K128N29-Q33 PolarHBondContact ND2-NE2 3.43Å; N29-Q33 VanDerWaalsContact ND2-NE2 3.1Å; N29-Q33 WeakPolarHBondContact O-CG 3.49Å; N29-Q33 PolarHBondContact O-N 3.5Å; N29-Q33 PolarHBondContact O-NE2 3.07Å; A30-Q33 PolarHBondContact O-N 3.25Å; L31-Q33 VanDerWaalsContact C-N 3.34Å; L31-Q33 PolarHBondContact O-N 2.8Å; Q33-K35 PolarHBondContact O-N 2.83Å; Q33-S36 WeakPolarHBondContact O-CB 3.29Å; Q33-S36 PolarHBondContact O-N 3.23Å; Q33-S36 PolarHBondContact O-OG 3.35Å; Q33-V127 HydrophobicContact CB-CB 3.74Å; Q33-V127 HydrophobicContact CB-CG1 3.62Å; Q33-V127 HydrophobicContact CB-CG2 4.22Å; Q33-K128 PolarHBondContact NE2-O 3.26Å
34A98.7Very high98Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-59.9-45.3176.500000112.3V14 V16 A30 L31 S36 L37 L41 V100V14-A34 HydrophobicContact CG1-CB 4.21Å; V16-A34 HydrophobicContact CG2-CB 3.37Å; A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3.44Å; L31-A34 PolarHBondContact O-N 3.49Å; A34-S36 PolarHBondContact O-N 2.88Å; A34-L37 WeakPolarHBondContact O-CB 3.43Å; A34-L37 PolarHBondContact O-N 3.09Å; A34-L41 HydrophobicContact CB-CD1 3.8Å; A34-V100 HydrophobicContact CB-CB 4.02Å; A34-V100 HydrophobicContact CB-CG1 3.76Å; A34-V100 HydrophobicContact CB-CG2 4.42Å
35K98.3Very high98.1Very high46 Ų4624.3 Ų24.320%0.214%0.136CC..Hα-helixtrans-58.3-33.7173.7179.462.4174.4-1700112L31 Q33 L37 G38 D39 L41 W74 D76L31-K35 WeakPolarHBondContact O-CB 3.24Å; L31-K35 PolarHBondContact O-N 2.77Å; Q33-K35 PolarHBondContact O-N 2.83Å; K35-L37 PolarHBondContact O-N 3.25Å; K35-G38 PolarHBondContact O-N 3.45Å; K35-D39 PolarHBondContact NZ-O 2.83Å; K35-L41 HydrophobicContact CB-CB 4.16Å; K35-L41 HydrophobicContact CB-CD2 4Å; K35-L41 HydrophobicContact CD-CB 3.83Å; K35-W74 HydrophobicContact CB-CB 4.01Å; K35-W74 HydrophobicContact CG-CB 4.24Å; K35-D76 IonicContact NZ-OD1 3.98Å; K35-D76 PolarHBondContact NZ-OD1 3.44Å; K35-D76 IonicContact NZ-OD2 3.7Å; K35-D76 PolarHBondContact NZ-OD2 3.21Å
36S97.8Very high98.2Very high87 Ų8724.3 Ų24.361%0.60814%0.137SC*.THydrogen-bonded Turntrans-70.5-10.2177.173.30000114.7R32 Q33 A34R32-S36 PolarHBondContact O-N 2.96Å; R32-S36 VanDerWaalsContact O-N 3.1Å; Q33-S36 WeakPolarHBondContact O-CB 3.29Å; Q33-S36 PolarHBondContact O-N 3.23Å; Q33-S36 PolarHBondContact O-OG 3.35Å; A34-S36 PolarHBondContact O-N 2.88Å
37L98.4Very high98.3Very high62 Ų6224.4 Ų24.433%0.32514%0.136SC..THydrogen-bonded Turntrans-92-3.7177.7-58.1175.8000113.4V14 A34 K35 F98 V100 K125 V127V14-L37 HydrophobicContact CG2-CB 4.48Å; A34-L37 WeakPolarHBondContact O-CB 3.43Å; A34-L37 PolarHBondContact O-N 3.09Å; K35-L37 PolarHBondContact O-N 3.25Å; L37-F98 HydrophobicContact CB-CE2 4.06Å; L37-F98 HydrophobicContact CB-CZ 3.96Å; L37-F98 HydrophobicContact CD1-CE2 4.44Å; L37-F98 WeakPolarHBondContact O-CZ 3.46Å; L37-V100 HydrophobicContact CD1-CG1 4.32Å; L37-V100 HydrophobicContact CD1-CG2 3.82Å; L37-K125 HydrophobicContact CD1-CB 4.48Å; L37-K125 HydrophobicContact CD1-CD 4.32Å; L37-V127 HydrophobicContact CD1-CG1 3.95Å
38G97.9Very high98.2Very high17 Ų1724.3 Ų24.318%0.17514%0.137CC..SBendtrans-162.1-173.217800000113.6K35K35-G38 PolarHBondContact O-N 3.45Å
39D98.1Very high98.2Very high90 Ų9032.3 Ų32.348%0.48117%0.172SC..SBendtrans-89.9-27.4-174.7-57.8-61.7000112.1P11 I12 K35P11-D39 WeakPolarHBondContact CA-OD2 3.41Å; P11-D39 HydrophobicContact CB-CB 3.93Å; I12-D39 PolarHBondContact N-OD2 3.23Å; I12-D39 PolarHBondContact O-N 3.06Å; K35-D39 PolarHBondContact NZ-O 2.83Å
40Q98.4Very high98Very high66 Ų6634.3 Ų34.331%0.30818%0.181SC..EExtended strand (participates in β ladder)trans-136.9138.3-179.6-68.7-178.9-33.900110.4I12 R13 V14 I42 D76I12-Q40 PolarHBondContact O-N 3.03Å; I12-Q40 VanDerWaalsContact O-N 3.08Å; R13-Q40 CarbonylContact C-O 3.59Å; R13-Q40 WeakPolarHBondContact CA-O 3.32Å; R13-Q40 HydrophobicContact CG-CB 4.01Å; V14-Q40 PolarHBondContact N-O 3Å; Q40-I42 HydrophobicContact CB-CD1 4.17Å; Q40-D76 WeakPolarHBondContact CA-OD2 3.2Å
41L98.8Very high97.8Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-114.6117.3177.9178.265.2000109.9V14 V16 L31 A34 K35 V43 W74 V75 D76 E77V14-L41 HydrophobicContact CB-CD1 4.13Å; V14-L41 HydrophobicContact CG1-CD1 4.03Å; V16-L41 HydrophobicContact CB-CD1 4.28Å; V16-L41 HydrophobicContact CG2-CD1 3.63Å; L31-L41 HydrophobicContact CB-CD2 3.98Å; L31-L41 HydrophobicContact CD2-CD2 4.12Å; L31-L41 WeakPolarHBondContact O-CD2 3.26Å; A34-L41 HydrophobicContact CB-CD1 3.8Å; K35-L41 HydrophobicContact CB-CB 4.16Å; K35-L41 HydrophobicContact CB-CD2 4Å; K35-L41 HydrophobicContact CD-CB 3.83Å; L41-V43 HydrophobicContact CD1-CG2 4.41Å; L41-V43 HydrophobicContact CD2-CG2 4.13Å; L41-V43 HydrophobicContact CG-CG2 3.9Å; L41-W74 HydrophobicContact CD2-CB 4.46Å; L41-V75 HydrophobicContact CD2-CG2 4.37Å; L41-D76 PolarHBondContact N-OD2 2.87Å; L41-D76 PolarHBondContact O-N 2.91Å; L41-E77 PolarHBondContact O-N 3.27Å
42I98.8Very high97.5Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-107123.1178.6-5668.4000106.6R13 V14 W15 V16 Q40 E77 V79R13-I42 HydrophobicContact CB-CD1 3.78Å; R13-I42 HydrophobicContact CG-CD1 4.04Å; R13-I42 VanDerWaalsContact NH2-CG1 3.26Å; V14-I42 WeakPolarHBondContact O-CD1 3.49Å; V14-I42 PolarHBondContact O-N 2.64Å; W15-I42 WeakPolarHBondContact CA-O 3.49Å; W15-I42 HydrophobicContact CE3-CB 4.04Å; W15-I42 HydrophobicContact CE3-CG2 3.6Å; W15-I42 HydrophobicContact CZ3-CB 4.47Å; W15-I42 HydrophobicContact CZ3-CG2 3.55Å; V16-I42 PolarHBondContact N-O 2.65Å; Q40-I42 HydrophobicContact CB-CD1 4.17Å; I42-E77 HydrophobicContact CG1-CB 4.32Å; I42-E77 HydrophobicContact CG2-CB 4.3Å; I42-E77 HydrophobicContact CG2-CG 4.45Å; I42-V79 HydrophobicContact CG2-CG2 3.85Å
43V98.9Very high97.1Very high0 Ų041.1 Ų41.10%021%0.212CC..EExtended strand (participates in β ladder)trans-113.4109.9-176.2-172.70000111.1V16 F20 L31 L41 I45 I69 V75 E77 V78 V79V16-V43 CarbonylContact O-C 3.57Å; V16-V43 WeakPolarHBondContact O-CA 3.42Å; F20-V43 HydrophobicContact CD2-CG1 4.37Å; F20-V43 HydrophobicContact CE2-CG1 3.48Å; F20-V43 VanDerWaalsContact CE2-CG1 3.48Å; F20-V43 HydrophobicContact CZ-CG1 3.63Å; L31-V43 HydrophobicContact CD2-CG1 4.23Å; L31-V43 HydrophobicContact CD2-CG2 3.71Å; L41-V43 HydrophobicContact CD1-CG2 4.41Å; L41-V43 HydrophobicContact CD2-CG2 4.13Å; L41-V43 HydrophobicContact CG-CG2 3.9Å; V43-I45 HydrophobicContact CG1-CG1 4.22Å; V43-I69 HydrophobicContact CB-CG2 4.04Å; V43-I69 HydrophobicContact CG1-CG2 3.75Å; V43-V75 HydrophobicContact CB-CG1 4.16Å; V43-V75 HydrophobicContact CG2-CB 4.3Å; V43-V75 HydrophobicContact CG2-CG1 3.78Å; V43-V75 HydrophobicContact CG2-CG2 3.7Å; V43-E77 PolarHBondContact N-O 2.94Å; V43-V78 WeakPolarHBondContact O-CA 3.46Å; V43-V79 PolarHBondContact O-N 2.96Å
44G98.7Very high96.6Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-77.6129.9169.800000111.6V16 D17 G18 V79V16-G44 PolarHBondContact O-N 3.22Å; D17-G44 CarbonylContact C-O 3.57Å; D17-G44 WeakPolarHBondContact CA-O 3.04Å; D17-G44 WeakPolarHBondContact CB-O 3.28Å; G18-G44 PolarHBondContact N-O 2.85Å; G18-G44 VanDerWaalsContact N-O 3.13Å; G44-V79 CarbonylContact C-O 3.53Å; G44-V79 WeakPolarHBondContact CA-O 3.36Å
45I98.6Very high95.8Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-120.9120.4179.3-52.3168.3000108.7F20 V43 R65 Y66 I69 V78 V79 D81 A82F20-I45 HydrophobicContact CD2-CG1 4.04Å; F20-I45 HydrophobicContact CD2-CG2 4.34Å; F20-I45 HydrophobicContact CE2-CG1 4.34Å; V43-I45 HydrophobicContact CG1-CG1 4.22Å; I45-R65 HydrophobicContact CG2-CB 4.32Å; I45-Y66 HydrophobicContact CB-CD1 3.6Å; I45-Y66 HydrophobicContact CB-CE1 3.57Å; I45-Y66 HydrophobicContact CD1-CD1 3.77Å; I45-Y66 HydrophobicContact CG1-CD1 4.3Å; I45-Y66 HydrophobicContact CG2-CD1 3.56Å; I45-Y66 HydrophobicContact CG2-CE1 3.52Å; I45-I69 HydrophobicContact CD1-CB 3.5Å; I45-I69 HydrophobicContact CD1-CG1 3.82Å; I45-I69 HydrophobicContact CD1-CG2 3.71Å; I45-I69 HydrophobicContact CG1-CB 4.47Å; I45-I69 HydrophobicContact CG1-CG1 4.47Å; I45-I69 HydrophobicContact CG1-CG2 4.35Å; I45-V78 HydrophobicContact CD1-CG1 3.47Å; I45-V78 VanDerWaalsContact CD1-CG1 3.47Å; I45-V78 HydrophobicContact CD1-CG2 4.39Å; I45-V78 HydrophobicContact CG1-CG1 4.23Å; I45-V79 PolarHBondContact N-O 2.94Å; I45-D81 PolarHBondContact O-N 3.22Å; I45-A82 PolarHBondContact O-N 3.06Å
46H97.8Very high95.2Very high2 Ų242.9 Ų42.91%0.00922%0.224CC..  trans-65.7146.5-178.7-50.9-45.4000111.6D17 G18 E50 I51 R65 A82 P83 Y84D17-H46 IonicContact OD1-CE1 2.74Å; D17-H46 PolarHBondContact OD1-CE1 2.91Å; D17-H46 IonicContact OD1-NE2 2.8Å; G18-H46 WeakPolarHBondContact CA-NE2 3.38Å; G18-H46 PolarHBondContact O-CD2 2.98Å; G18-H46 PolarHBondContact O-N 3.3Å; G18-H46 VanDerWaalsContact O-N 3.14Å; H46-E50 HydrophobicContact CB-CB 4.3Å; H46-I51 HydrophobicContact CB-CD1 3.57Å; H46-I51 HydrophobicContact CB-CG1 3.69Å; H46-R65 PolarHBondContact O-NH1 3.15Å; H46-R65 PolarHBondContact O-NH2 3.49Å; H46-A82 WeakPolarHBondContact CA-O 3.12Å; H46-A82 PolarHBondContact ND1-O 3.42Å; H46-P83 PolarHBondContact CE1-O 3Å; H46-P83 PolarHBondContact ND1-O 3.46Å; H46-P83 VanDerWaalsContact ND1-O 3.08Å; H46-Y84 AromaticContact CD2-CD2 4Å
47S97.8Very high94.8Very high8 Ų841 Ų416%0.05621%0.209CC..  trans-68.6161.6172.449.60000112.8K49 E50 I51 E62 D81S47-K49 PolarHBondContact O-N 2.79Å; S47-E50 PolarHBondContact O-N 3.24Å; S47-E50 PolarHBondContact OG-N 2.63Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.15Å; S47-E62 WeakPolarHBondContact CA-OE2 3.32Å; S47-E62 WeakPolarHBondContact CB-OE2 3.34Å; S47-D81 WeakPolarHBondContact CB-OD1 3.41Å; S47-D81 PolarHBondContact OG-OD1 3.22Å
48D97Very high94.5Very high36 Ų3639 Ų3919%0.19320%0.2CC..Hα-helixtrans-60.1-34.7176.1-69.8-20.1000111.2T52 P58 H61 E62 R65D48-T52 WeakPolarHBondContact O-CB 3.04Å; D48-T52 PolarHBondContact O-N 2.66Å; D48-T52 PolarHBondContact O-OG1 3.19Å; D48-P58 WeakPolarHBondContact OD1-CG 3.35Å; D48-H61 VanDerWaalsContact OD2-CA 3.29Å; D48-H61 WeakPolarHBondContact OD2-CA 3.48Å; D48-E62 VanDerWaalsContact CG-N 3.3Å; D48-E62 PolarHBondContact N-OE2 2.99Å; D48-E62 PolarHBondContact OD1-N 3.19Å; D48-E62 PolarHBondContact OD2-N 2.96Å; D48-R65 IonicContact OD1-CZ 3.33Å; D48-R65 IonicContact OD1-NE 2.69Å; D48-R65 IonicContact OD1-NH2 3.99Å; D48-R65 PolarHBondContact OD1-NH2 3.12Å
49K96.2Very high94.3Very high169 Ų16938.4 Ų38.474%0.73519%0.193SC*.Hα-helixtrans-62.2-51.2174.5-178.2-178.3174.8-175.10111.7S47 T52 K53S47-K49 PolarHBondContact O-N 2.79Å; K49-T52 PolarHBondContact O-N 2.72Å; K49-K53 WeakPolarHBondContact O-CB 3.09Å; K49-K53 PolarHBondContact O-N 3.41Å; K49-K53 VanDerWaalsContact O-N 3.09Å
50E94.6Very high94.1Very high42 Ų4234.2 Ų34.220%0.19617%0.171CC..Hα-helixtrans-64.1-42179.9-80.8-63.1110.300111.9H46 S47 K53 H54 Y84H46-E50 HydrophobicContact CB-CB 4.3Å; S47-E50 PolarHBondContact O-N 3.24Å; S47-E50 PolarHBondContact OG-N 2.63Å; E50-K53 PolarHBondContact O-N 2.84Å; E50-H54 PolarHBondContact O-N 2.86Å; E50-H54 PolarHBondContact O-ND1 3Å; E50-H54 IonicContact OE2-CE1 2.99Å; E50-H54 PolarHBondContact OE2-CE1 2.82Å; E50-H54 IonicContact OE2-ND1 2.7Å; E50-Y84 WeakPolarHBondContact OE2-CB 3.33Å; E50-Y84 PolarHBondContact OE2-N 3.02Å
51I93Very high94Very high2 Ų236.4 Ų36.41%0.0118%0.18CC..Hα-helixtrans-66.2-44.2177.2-68.9-55.7000111.8C19 H46 S47 K53 H54 K55 G56 P58C19-I51 HydrophobicContact CB-CD1 3.49Å; C19-I51 VanDerWaalsContact CB-CD1 3.49Å; C19-I51 HydrophobicContact CB-CG1 4.11Å; H46-I51 HydrophobicContact CB-CD1 3.57Å; H46-I51 HydrophobicContact CB-CG1 3.69Å; S47-I51 WeakPolarHBondContact O-CG1 3.45Å; S47-I51 PolarHBondContact O-N 3.15Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.74Å; I51-H54 PolarHBondContact O-N 3.39Å; I51-K55 HydrophobicContact CD1-CD 4.46Å; I51-K55 HydrophobicContact CG2-CB 4.42Å; I51-K55 WeakPolarHBondContact O-CA 3.47Å; I51-K55 PolarHBondContact O-N 3.02Å; I51-G56 WeakPolarHBondContact CG2-O 3.18Å; I51-G56 PolarHBondContact O-N 3.19Å; I51-P58 HydrophobicContact CG2-CB 4.36Å; I51-P58 HydrophobicContact CG2-CG 4.31Å
52T92.1Very high94Very high69 Ų6939 Ų3942%0.42319%0.193SC..Hα-helixtrans-61.2-40.1179.3-59.90000111.1D48 K49 G56D48-T52 WeakPolarHBondContact O-CB 3.04Å; D48-T52 PolarHBondContact O-N 2.66Å; D48-T52 PolarHBondContact O-OG1 3.19Å; K49-T52 PolarHBondContact O-N 2.72Å; T52-G56 WeakPolarHBondContact O-CA 3.21Å; T52-G56 PolarHBondContact O-N 3.19Å
53K90.3Very high93.9Very high137 Ų13746.5 Ų46.560%0.59623%0.225SC*.Hα-helixtrans-62.5-40.7177.1-178.9-177.5171.4-166.90113.4K49 E50 I51 N109K49-K53 WeakPolarHBondContact O-CB 3.09Å; K49-K53 PolarHBondContact O-N 3.41Å; K49-K53 VanDerWaalsContact O-N 3.09Å; E50-K53 PolarHBondContact O-N 2.84Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.74Å; K53-N109 PolarHBondContact O-ND2 2.78Å
54H87.4Confident93.9Very high12 Ų1247.5 Ų47.56%0.05623%0.23CC..Hα-helixtrans-102.5-30.9-170.9-62.596.9000114.7E50 I51 Y84 F85 N109E50-H54 PolarHBondContact O-N 2.86Å; E50-H54 PolarHBondContact O-ND1 3Å; E50-H54 IonicContact OE2-CE1 2.99Å; E50-H54 PolarHBondContact OE2-CE1 2.82Å; E50-H54 IonicContact OE2-ND1 2.7Å; I51-H54 PolarHBondContact O-N 3.39Å; H54-Y84 HydrophobicContact CB-CD1 4.04Å; H54-Y84 HydrophobicContact CB-CD2 3.77Å; H54-Y84 HydrophobicContact CB-CE1 3.84Å; H54-Y84 HydrophobicContact CB-CE2 3.54Å; H54-Y84 HydrophobicContact CB-CG 4.02Å; H54-Y84 AromaticContact CD2-CD1 3.58Å; H54-Y84 AromaticContact CD2-CE1 3.86Å; H54-Y84 AromaticContact CE1-CG 3.82Å; H54-Y84 AromaticContact CG-CD1 3.57Å; H54-Y84 AromaticContact CG-CD2 3.84Å; H54-Y84 AromaticContact CG-CE1 3.83Å; H54-Y84 AromaticContact CG-CG 3.58Å; H54-Y84 AromaticContact ND1-CD1 3.87Å; H54-Y84 AromaticContact ND1-CD2 3.82Å; H54-Y84 AromaticContact ND1-CG 3.48Å; H54-Y84 AromaticContact NE2-CD1 3.92Å; H54-F85 AromaticContact NE2-CE2 3.72Å; H54-N109 WeakPolarHBondContact CA-ND2 3.37Å; H54-N109 VanDerWaalsContact O-CG 3.23Å; H54-N109 PolarHBondContact O-ND2 2.96Å; H54-N109 VanDerWaalsContact O-ND2 3.12Å; H54-N109 PolarHBondContact O-OD1 2.79Å
55K83.4Confident93.9Very high88 Ų8847.5 Ų47.538%0.38323%0.23SC..THydrogen-bonded Turntrans-124.5-19-173.7-69.5179.4173.6165.20113.1I51 Y84 R393I51-K55 HydrophobicContact CD1-CD 4.46Å; I51-K55 HydrophobicContact CG2-CB 4.42Å; I51-K55 WeakPolarHBondContact O-CA 3.47Å; I51-K55 PolarHBondContact O-N 3.02Å; K55-Y84 HydrophobicContact CD-CE2 4.08Å; K55-Y84 WeakPolarHBondContact CE-OH 3.36Å; K55-Y84 HydrophobicContact CG-CE2 4.18Å; K55-R393 WeakPolarHBondContact O-CD 2.95Å; K55-R393 WeakPolarHBondContact O-CG 3.4Å
56G84.7Confident93.9Very high14 Ų1447.8 Ų47.814%0.14423%0.231CC..  trans93.6169.5-168.100000112I51 T52I51-G56 WeakPolarHBondContact CG2-O 3.18Å; I51-G56 PolarHBondContact O-N 3.19Å; T52-G56 WeakPolarHBondContact O-CA 3.21Å; T52-G56 PolarHBondContact O-N 3.19Å
57P89.2Confident93.9Very high47 Ų4752.4 Ų52.431%0.30525%0.248SC..  trans-65.2142.5-165.825.1-33.8000112.6Y390 R393P57-Y390 HydrophobicContact CG-CE1 4.36Å; P57-Y390 WeakPolarHBondContact O-CE1 3.44Å; P57-R393 PolarHBondContact O-NH1 3.14Å; P57-R393 VanDerWaalsContact O-NH1 3.12Å
58P93.5Very high93.9Very high20 Ų2052 Ų5213%0.1325%0.246CC..  trans-80.5163.1171.433.3-32.8000112.3D21 D48 I51 F60 Y390D21-P58 HydrophobicContact CB-CB 4.04Å; D21-P58 WeakPolarHBondContact OD2-CA 3.16Å; D48-P58 WeakPolarHBondContact OD1-CG 3.35Å; I51-P58 HydrophobicContact CG2-CB 4.36Å; I51-P58 HydrophobicContact CG2-CG 4.31Å; P58-F60 WeakPolarHBondContact CB-O 3.42Å; P58-F60 WeakPolarHBondContact CG-O 3.31Å; P58-Y390 PolarHBondContact O-OH 3.05Å
59V92.9Very high94Very high5 Ų550.3 Ų50.33%0.0324%0.237CC..SBendtrans-78.6-40.4173.2-179.40000111.4D21 L22 V379 R382 I383 Y390D21-V59 VanDerWaalsContact CG-N 3.27Å; D21-V59 PolarHBondContact OD1-N 3.05Å; D21-V59 VanDerWaalsContact OD1-N 3.16Å; D21-V59 PolarHBondContact OD2-N 2.58Å; L22-V59 HydrophobicContact CD1-CG2 4.21Å; L22-V59 HydrophobicContact CD2-CB 4Å; L22-V59 HydrophobicContact CD2-CG1 3.9Å; L22-V59 HydrophobicContact CD2-CG2 4.31Å; L22-V59 HydrophobicContact CG-CB 4.19Å; L22-V59 HydrophobicContact CG-CG2 4.13Å; V59-V379 HydrophobicContact CG1-CG1 4.19Å; V59-R382 HydrophobicContact CG1-CB 4.1Å; V59-R382 WeakPolarHBondContact O-CD 3.38Å; V59-R382 PolarHBondContact O-NH1 3.42Å; V59-I383 HydrophobicContact CG1-CD1 4.31Å; V59-I383 HydrophobicContact CG1-CG1 3.88Å; V59-I383 HydrophobicContact CG2-CD1 4.3Å; V59-I383 HydrophobicContact CG2-CG1 3.72Å; V59-Y390 HydrophobicContact CG2-CE2 3.72Å; V59-Y390 WeakPolarHBondContact CG2-OH 3.29Å
60F95Very high94.1Very high2 Ų246.6 Ų46.61%0.00922%0.218CC..SBendtrans-97.2135.5174-67.9-51000111.1D21 L22 P58 E64 R65 L68 H261 V374 V379D21-F60 PolarHBondContact OD1-N 3.36Å; L22-F60 HydrophobicContact CD2-CD2 4.2Å; L22-F60 HydrophobicContact CD2-CE2 3.66Å; L22-F60 HydrophobicContact CD2-CZ 4.03Å; P58-F60 WeakPolarHBondContact CB-O 3.42Å; P58-F60 WeakPolarHBondContact CG-O 3.31Å; F60-E64 WeakPolarHBondContact CA-OE2 3.49Å; F60-E64 HydrophobicContact CB-CB 4.09Å; F60-E64 HydrophobicContact CD1-CB 4.45Å; F60-R65 HydrophobicContact CB-CG 3.68Å; F60-R65 WeakPolarHBondContact O-CD 3.43Å; F60-R65 PolarHBondContact O-NE 2.96Å; F60-R65 VanDerWaalsContact O-NE 3.17Å; F60-L68 HydrophobicContact CD2-CD1 4.14Å; F60-L68 HydrophobicContact CE2-CD1 4.19Å; F60-H261 HydrophobicContact CE1-CB 4.16Å; F60-H261 HydrophobicContact CE2-CB 4.45Å; F60-H261 HydrophobicContact CZ-CB 3.58Å; F60-V374 HydrophobicContact CE1-CG1 4.21Å; F60-V379 HydrophobicContact CE1-CG2 3.65Å; F60-V379 HydrophobicContact CZ-CG1 4.17Å; F60-V379 HydrophobicContact CZ-CG2 3.75Å
61H95.9Very high94.3Very high111 Ų11144.6 Ų44.651%0.51421%0.209SC..  trans-64.9156171.3-52.890.5000110.1D48 K63 E64 R65D48-H61 VanDerWaalsContact OD2-CA 3.29Å; D48-H61 WeakPolarHBondContact OD2-CA 3.48Å; H61-K63 VanDerWaalsContact C-N 3.29Å; H61-K63 PolarHBondContact O-N 2.88Å; H61-E64 HydrophobicContact CB-CG 4.49Å; H61-E64 IonicContact CE1-OE2 3.59Å; H61-E64 IonicContact CG-OE2 3.13Å; H61-E64 PolarHBondContact N-OE2 2.82Å; H61-E64 IonicContact ND1-OE2 2.65Å; H61-E64 PolarHBondContact ND1-OE2 2.94Å; H61-E64 WeakPolarHBondContact O-CA 3.48Å; H61-E64 WeakPolarHBondContact O-CB 3.38Å; H61-E64 PolarHBondContact O-N 2.72Å; H61-R65 PolarHBondContact O-N 3.17Å
62E97.7Very high94.5Very high56 Ų5644.8 Ų44.826%0.26221%0.209SC..Hα-helixtrans-54.2-41.8-175.667.9-166.3-167.500113.7S47 D48 E64 R65 Y66S47-E62 WeakPolarHBondContact CA-OE2 3.32Å; S47-E62 WeakPolarHBondContact CB-OE2 3.34Å; D48-E62 VanDerWaalsContact CG-N 3.3Å; D48-E62 PolarHBondContact N-OE2 2.99Å; D48-E62 PolarHBondContact OD1-N 3.19Å; D48-E62 PolarHBondContact OD2-N 2.96Å; E62-E64 VanDerWaalsContact C-N 3.3Å; E62-E64 PolarHBondContact O-N 2.87Å; E62-R65 VanDerWaalsContact CA-NH2 3.3Å; E62-R65 CarbonylContact O-C 3.55Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-R65 VanDerWaalsContact O-N 3.09Å; E62-Y66 HydrophobicContact CB-CE1 4.08Å; E62-Y66 HydrophobicContact CB-CE2 3.96Å; E62-Y66 HydrophobicContact CG-CE2 3.89Å; E62-Y66 WeakPolarHBondContact O-CD1 3.41Å; E62-Y66 WeakPolarHBondContact O-CD2 3.41Å; E62-Y66 PolarHBondContact O-N 3.03Å
63K97.9Very high94.7Very high156 Ų15643.3 Ų43.368%0.67820%0.197SC*.Hα-helixtrans-61.9-35.7176.5-65.4-175.8179.7179.50113H61 R67H61-K63 VanDerWaalsContact C-N 3.29Å; H61-K63 PolarHBondContact O-N 2.88Å; K63-R67 WeakPolarHBondContact O-CG 3.44Å; K63-R67 PolarHBondContact O-N 3.26Å
64E97.9Very high95.1Very high22 Ų2238 Ų3810%0.10317%0.173CC..Hα-helixtrans-67.8-42.9175.2-61.1172.4119.400109.8F60 H61 E62 R67 L68 I262 V374 R382F60-E64 WeakPolarHBondContact CA-OE2 3.49Å; F60-E64 HydrophobicContact CB-CB 4.09Å; F60-E64 HydrophobicContact CD1-CB 4.45Å; H61-E64 HydrophobicContact CB-CG 4.49Å; H61-E64 IonicContact CE1-OE2 3.59Å; H61-E64 IonicContact CG-OE2 3.13Å; H61-E64 PolarHBondContact N-OE2 2.82Å; H61-E64 IonicContact ND1-OE2 2.65Å; H61-E64 PolarHBondContact ND1-OE2 2.94Å; H61-E64 WeakPolarHBondContact O-CA 3.48Å; H61-E64 WeakPolarHBondContact O-CB 3.38Å; H61-E64 PolarHBondContact O-N 2.72Å; E62-E64 VanDerWaalsContact C-N 3.3Å; E62-E64 PolarHBondContact O-N 2.87Å; E64-R67 PolarHBondContact O-N 3.34Å; E64-L68 WeakPolarHBondContact O-CG 3.5Å; E64-L68 PolarHBondContact O-N 3.25Å; E64-I262 HydrophobicContact CB-CB 4.36Å; E64-I262 HydrophobicContact CB-CG2 4.33Å; E64-I262 HydrophobicContact CG-CG2 4.1Å; E64-V374 VanDerWaalsContact OE1-CG2 3.31Å; E64-V374 WeakPolarHBondContact OE1-CG2 3.13Å; E64-R382 IonicContact OE1-CZ 2.72Å; E64-R382 IonicContact OE1-NH1 3.57Å; E64-R382 PolarHBondContact OE1-NH1 2.83Å; E64-R382 VanDerWaalsContact OE1-NH1 3.09Å; E64-R382 IonicContact OE1-NH2 3.97Å; E64-R382 PolarHBondContact OE1-NH2 2.82Å; E64-R382 IonicContact OE2-CZ 3.61Å; E64-R382 IonicContact OE2-NH1 3.83Å; E64-R382 PolarHBondContact OE2-NH1 2.94Å; E64-R382 IonicContact OE2-NH2 2.86Å
65R98.2Very high95.6Very high0 Ų037.6 Ų37.60%017%0.172CC..Hα-helixtrans-65.8-41.6177.6-62.8-176.9-68.599.9-2.5112C19 I45 H46 D48 F60 H61 E62 R67 L68 I69C19-R65 WeakPolarHBondContact O-CD 3.36Å; C19-R65 PolarHBondContact O-NH1 2.86Å; I45-R65 HydrophobicContact CG2-CB 4.32Å; H46-R65 PolarHBondContact O-NH1 3.15Å; H46-R65 PolarHBondContact O-NH2 3.49Å; D48-R65 IonicContact OD1-CZ 3.33Å; D48-R65 IonicContact OD1-NE 2.69Å; D48-R65 IonicContact OD1-NH2 3.99Å; D48-R65 PolarHBondContact OD1-NH2 3.12Å; F60-R65 HydrophobicContact CB-CG 3.68Å; F60-R65 WeakPolarHBondContact O-CD 3.43Å; F60-R65 PolarHBondContact O-NE 2.96Å; F60-R65 VanDerWaalsContact O-NE 3.17Å; H61-R65 PolarHBondContact O-N 3.17Å; E62-R65 VanDerWaalsContact CA-NH2 3.3Å; E62-R65 CarbonylContact O-C 3.55Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-R65 VanDerWaalsContact O-N 3.09Å; R65-R67 PolarHBondContact O-N 3.09Å; R65-L68 PolarHBondContact O-N 3.5Å; R65-I69 WeakPolarHBondContact O-CG1 3.23Å; R65-I69 PolarHBondContact O-N 3.45Å
66Y98.6Very high96.3Very high5 Ų537.5 Ų37.52%0.0218%0.176CC..Hα-helixtrans-59.2-47.2176.4-56.8-23.5000111.6I45 E62 R70 E80 D81I45-Y66 HydrophobicContact CB-CD1 3.6Å; I45-Y66 HydrophobicContact CB-CE1 3.57Å; I45-Y66 HydrophobicContact CD1-CD1 3.77Å; I45-Y66 HydrophobicContact CG1-CD1 4.3Å; I45-Y66 HydrophobicContact CG2-CD1 3.56Å; I45-Y66 HydrophobicContact CG2-CE1 3.52Å; E62-Y66 HydrophobicContact CB-CE1 4.08Å; E62-Y66 HydrophobicContact CB-CE2 3.96Å; E62-Y66 HydrophobicContact CG-CE2 3.89Å; E62-Y66 WeakPolarHBondContact O-CD1 3.41Å; E62-Y66 WeakPolarHBondContact O-CD2 3.41Å; E62-Y66 PolarHBondContact O-N 3.03Å; Y66-R70 WeakPolarHBondContact O-CB 3.42Å; Y66-R70 VanDerWaalsContact O-CG 3.29Å; Y66-R70 WeakPolarHBondContact O-CG 3.42Å; Y66-R70 PolarHBondContact O-N 3.32Å; Y66-E80 HydrophobicContact CD1-CG 4.14Å; Y66-E80 HydrophobicContact CD2-CB 3.99Å; Y66-E80 HydrophobicContact CD2-CG 3.44Å; Y66-E80 VanDerWaalsContact CD2-CG 3.44Å; Y66-E80 VanDerWaalsContact CD2-OE1 3.23Å; Y66-E80 WeakPolarHBondContact CD2-OE1 3.45Å; Y66-E80 HydrophobicContact CE1-CB 4.18Å; Y66-E80 HydrophobicContact CE1-CG 4.29Å; Y66-E80 HydrophobicContact CE2-CB 3.6Å; Y66-E80 VanDerWaalsContact CE2-CD 3.5Å; Y66-E80 HydrophobicContact CE2-CG 3.62Å; Y66-E80 HydrophobicContact CG-CB 4.44Å; Y66-E80 HydrophobicContact CG-CG 3.72Å; Y66-D81 PolarHBondContact OH-N 3.42Å
67R98.2Very high97Very high99 Ų9940.3 Ų40.337%0.37419%0.185SC..Hα-helixtrans-64.4-43.6176.8-72.9-176.669-158.3-1.9112.4K63 E64 R65 I69 R70 A71 I262 L265 S266 E269K63-R67 WeakPolarHBondContact O-CG 3.44Å; K63-R67 PolarHBondContact O-N 3.26Å; E64-R67 PolarHBondContact O-N 3.34Å; R65-R67 PolarHBondContact O-N 3.09Å; R67-I69 PolarHBondContact O-N 3.34Å; R67-R70 PolarHBondContact O-N 3.26Å; R67-A71 PolarHBondContact O-N 2.96Å; R67-A71 VanDerWaalsContact O-N 3.12Å; R67-I262 HydrophobicContact CB-CD1 3.56Å; R67-I262 HydrophobicContact CG-CD1 4.42Å; R67-L265 HydrophobicContact CB-CD2 4.32Å; R67-L265 WeakPolarHBondContact O-CD2 3.45Å; R67-S266 PolarHBondContact NH1-OG 3.03Å; R67-S266 PolarHBondContact NH2-OG 3.29Å; R67-E269 IonicContact CZ-OE2 3.49Å; R67-E269 IonicContact NH2-OE2 3.48Å; R67-E269 PolarHBondContact NH2-OE2 2.98Å
68L98.5Very high97.4Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-60.9-44.6179.1-77.7166.9000112.6V23 F60 E64 R65 A71 F260 I262 L265V23-L68 HydrophobicContact CG2-CB 3.92Å; V23-L68 HydrophobicContact CG2-CD1 4.13Å; F60-L68 HydrophobicContact CD2-CD1 4.14Å; F60-L68 HydrophobicContact CE2-CD1 4.19Å; E64-L68 WeakPolarHBondContact O-CG 3.5Å; E64-L68 PolarHBondContact O-N 3.25Å; R65-L68 PolarHBondContact O-N 3.5Å; L68-A71 WeakPolarHBondContact O-CB 3.44Å; L68-A71 PolarHBondContact O-N 3.48Å; L68-A71 VanDerWaalsContact O-N 3.17Å; L68-F260 HydrophobicContact CD2-CD1 4.33Å; L68-F260 HydrophobicContact CD2-CE1 4.41Å; L68-I262 HydrophobicContact CG-CB 4.5Å; L68-I262 HydrophobicContact CG-CD1 4.49Å; L68-L265 HydrophobicContact CD2-CB 4.37Å; L68-L265 HydrophobicContact CD2-CD2 4.26Å
69I98.7Very high97.7Very high0 Ų038.5 Ų38.50%017%0.172CC..Hα-helixtrans-71.5-37178.1-66-53.5000111.8F20 V23 L31 V43 I45 R65 R67 A71 M72 V75 V78F20-I69 HydrophobicContact CB-CD1 3.71Å; F20-I69 HydrophobicContact CB-CG1 3.7Å; F20-I69 HydrophobicContact CD1-CD1 3.7Å; F20-I69 HydrophobicContact CD1-CG1 4.3Å; F20-I69 HydrophobicContact CD2-CD1 4.41Å; F20-I69 HydrophobicContact CD2-CG1 4.12Å; F20-I69 HydrophobicContact CE1-CD1 4.43Å; F20-I69 HydrophobicContact CG-CD1 3.68Å; F20-I69 HydrophobicContact CG-CG1 3.79Å; V23-I69 HydrophobicContact CG1-CD1 4.24Å; V23-I69 HydrophobicContact CG2-CD1 3.98Å; L31-I69 HydrophobicContact CD1-CD1 4.24Å; V43-I69 HydrophobicContact CB-CG2 4.04Å; V43-I69 HydrophobicContact CG1-CG2 3.75Å; I45-I69 HydrophobicContact CD1-CB 3.5Å; I45-I69 HydrophobicContact CD1-CG1 3.82Å; I45-I69 HydrophobicContact CD1-CG2 3.71Å; I45-I69 HydrophobicContact CG1-CB 4.47Å; I45-I69 HydrophobicContact CG1-CG1 4.47Å; I45-I69 HydrophobicContact CG1-CG2 4.35Å; R65-I69 WeakPolarHBondContact O-CG1 3.23Å; R65-I69 PolarHBondContact O-N 3.45Å; R67-I69 PolarHBondContact O-N 3.34Å; I69-A71 PolarHBondContact O-N 3.23Å; I69-A71 VanDerWaalsContact O-N 3.11Å; I69-M72 HydrophobicContact CD1-CG 4.22Å; I69-M72 WeakPolarHBondContact O-CB 3.47Å; I69-M72 PolarHBondContact O-N 3.1Å; I69-V75 HydrophobicContact CG2-CG1 4.32Å; I69-V75 HydrophobicContact CG2-CG2 4.13Å; I69-V78 HydrophobicContact CB-CG2 4.49Å; I69-V78 HydrophobicContact CG2-CG2 3.84Å
70R98.4Very high98Very high92 Ų9242.5 Ų42.535%0.34719%0.191SC..Hα-helixtrans-58.8-20.4169.5-79.7-173.3-173.6103.14.4113.3Y66 R67 V78 E80 R312Y66-R70 WeakPolarHBondContact O-CB 3.42Å; Y66-R70 VanDerWaalsContact O-CG 3.29Å; Y66-R70 WeakPolarHBondContact O-CG 3.42Å; Y66-R70 PolarHBondContact O-N 3.32Å; R67-R70 PolarHBondContact O-N 3.26Å; R70-V78 HydrophobicContact CB-CG2 4.3Å; R70-V78 HydrophobicContact CG-CB 3.67Å; R70-V78 HydrophobicContact CG-CG1 4.19Å; R70-V78 HydrophobicContact CG-CG2 3.45Å; R70-V78 VanDerWaalsContact CG-CG2 3.45Å; R70-E80 IonicContact CZ-OE1 2.7Å; R70-E80 IonicContact NH1-OE1 3.54Å; R70-E80 PolarHBondContact NH1-OE1 3.37Å; R70-E80 VanDerWaalsContact NH2-CD 3.33Å; R70-E80 IonicContact NH2-OE1 3.33Å; R70-E80 PolarHBondContact NH2-OE1 3.48Å; R70-R312 PolarHBondContact O-NE 3.2Å; R70-R312 VanDerWaalsContact O-NE 3.09Å; R70-R312 PolarHBondContact O-NH1 2.89Å; R70-R312 PolarHBondContact O-NH2 3.16Å
71A98.1Very high98.1Very high0 Ų047.3 Ų47.30%022%0.217CC..THydrogen-bonded Turntrans-90.3-6.9176.600000113.6R67 L68 I69 L265 R312 Y313R67-A71 PolarHBondContact O-N 2.96Å; R67-A71 VanDerWaalsContact O-N 3.12Å; L68-A71 WeakPolarHBondContact O-CB 3.44Å; L68-A71 PolarHBondContact O-N 3.48Å; L68-A71 VanDerWaalsContact O-N 3.17Å; I69-A71 PolarHBondContact O-N 3.23Å; I69-A71 VanDerWaalsContact O-N 3.11Å; A71-L265 HydrophobicContact CB-CD1 3.35Å; A71-L265 HydrophobicContact CB-CD2 3.62Å; A71-L265 HydrophobicContact CB-CG 4.15Å; A71-R312 WeakPolarHBondContact O-CB 3.36Å; A71-R312 WeakPolarHBondContact O-CG 3.47Å; A71-R312 PolarHBondContact O-N 3.01Å; A71-Y313 HydrophobicContact CB-CE2 4.35Å
72M98Very high98.2Very high5 Ų542.1 Ų42.13%0.02519%0.193CC..BIsolated β-bridgetrans-72.4130.4177.3-65.6-67.497.300110.2V23 A28 L31 I69 W74 V75 A310 R312V23-M72 HydrophobicContact CG1-SD 4.37Å; A28-M72 HydrophobicContact CB-SD 4.03Å; L31-M72 HydrophobicContact CD1-CB 4.37Å; L31-M72 HydrophobicContact CD1-CG 4.26Å; I69-M72 HydrophobicContact CD1-CG 4.22Å; I69-M72 WeakPolarHBondContact O-CB 3.47Å; I69-M72 PolarHBondContact O-N 3.1Å; M72-W74 VanDerWaalsContact C-N 3.26Å; M72-W74 PolarHBondContact O-N 3.17Å; M72-V75 HydrophobicContact CB-CB 4.46Å; M72-V75 HydrophobicContact CB-CG2 3.78Å; M72-V75 PolarHBondContact O-N 3.49Å; M72-A310 WeakPolarHBondContact CA-O 3.49Å; M72-A310 HydrophobicContact CE-CB 4.12Å; M72-A310 HydrophobicContact SD-CB 3.75Å; M72-R312 PolarHBondContact O-NH2 3.14Å
73K96.8Very high98.1Very high38 Ų3841.6 Ų41.617%0.16519%0.194CC..THydrogen-bonded Turntrans-67.5-19.2-171.467.3179-177.1169.50116.4F236 Q240 L309 A310 R312K73-F236 WeakPolarHBondContact CE-O 3.36Å; K73-F236 PolarHBondContact NZ-O 3.28Å; K73-Q240 VanDerWaalsContact NZ-OE1 3.08Å; K73-L309 VanDerWaalsContact CE-O 3.31Å; K73-L309 WeakPolarHBondContact CE-O 3.49Å; K73-L309 PolarHBondContact NZ-O 3.17Å; K73-A310 PolarHBondContact N-O 3.09Å; K73-R312 HydrophobicContact CB-CB 4Å
74W97.8Very high97.9Very high25 Ų2534.5 Ų34.510%0.09516%0.163CC..THydrogen-bonded Turntrans-89.1-11.7178.5-62.2-74.7000113.5A28 R32 K35 L41 M72 F236 A310A28-W74 HydrophobicContact CB-CZ3 4.03Å; R32-W74 HydrophobicContact CB-CD2 3.68Å; R32-W74 HydrophobicContact CB-CE3 4.11Å; R32-W74 HydrophobicContact CB-CG 4.1Å; R32-W74 HydrophobicContact CB-CH2 4.24Å; R32-W74 HydrophobicContact CB-CZ2 3.83Å; R32-W74 HydrophobicContact CB-CZ3 4.38Å; R32-W74 HydrophobicContact CG-CD2 4.11Å; R32-W74 VanDerWaalsContact CG-CE2 3.47Å; R32-W74 HydrophobicContact CG-CG 4.45Å; R32-W74 HydrophobicContact CG-CH2 4.46Å; R32-W74 HydrophobicContact CG-CZ2 3.65Å; K35-W74 HydrophobicContact CB-CB 4.01Å; K35-W74 HydrophobicContact CG-CB 4.24Å; L41-W74 HydrophobicContact CD2-CB 4.46Å; M72-W74 VanDerWaalsContact C-N 3.26Å; M72-W74 PolarHBondContact O-N 3.17Å; W74-F236 AromaticContact CH2-CD1 3.73Å; W74-F236 HydrophobicContact CH2-CD1 3.73Å; W74-F236 HydrophobicContact CH2-CD2 4.1Å; W74-F236 AromaticContact CH2-CE1 3.87Å; W74-F236 HydrophobicContact CH2-CE1 3.87Å; W74-F236 HydrophobicContact CH2-CE2 4.21Å; W74-F236 AromaticContact CH2-CG 3.86Å; W74-F236 HydrophobicContact CH2-CG 3.86Å; W74-F236 HydrophobicContact CH2-CZ 4.1Å; W74-F236 HydrophobicContact CZ2-CG 4.5Å; W74-F236 HydrophobicContact CZ3-CD1 4.42Å; W74-F236 HydrophobicContact CZ3-CE1 4.2Å; W74-F236 HydrophobicContact CZ3-CZ 4.45Å; W74-A310 HydrophobicContact CZ3-CB 3.87Å
75V98.6Very high97.8Very high5 Ų535.5 Ų35.53%0.0317%0.167CC..  trans-88.6118.1-175.1177.80000109.8L31 L41 V43 I69 M72 E77 V78 R312L31-V75 HydrophobicContact CD1-CG2 3.78Å; L41-V75 HydrophobicContact CD2-CG2 4.37Å; V43-V75 HydrophobicContact CB-CG1 4.16Å; V43-V75 HydrophobicContact CG2-CB 4.3Å; V43-V75 HydrophobicContact CG2-CG1 3.78Å; V43-V75 HydrophobicContact CG2-CG2 3.7Å; I69-V75 HydrophobicContact CG2-CG1 4.32Å; I69-V75 HydrophobicContact CG2-CG2 4.13Å; M72-V75 HydrophobicContact CB-CB 4.46Å; M72-V75 HydrophobicContact CB-CG2 3.78Å; M72-V75 PolarHBondContact O-N 3.49Å; V75-E77 WeakPolarHBondContact CG1-O 3.45Å; V75-V78 HydrophobicContact CG1-CG2 3.62Å; V75-R312 PolarHBondContact O-NH2 3.48Å
76D98.6Very high97.8Very high86 Ų8635.6 Ų35.646%0.4617%0.168SC..SBendtrans-86-40.6176.9-54.2-84.1000111.2K35 Q40 L41K35-D76 IonicContact NZ-OD1 3.98Å; K35-D76 PolarHBondContact NZ-OD1 3.44Å; K35-D76 IonicContact NZ-OD2 3.7Å; K35-D76 PolarHBondContact NZ-OD2 3.21Å; Q40-D76 WeakPolarHBondContact CA-OD2 3.2Å; L41-D76 PolarHBondContact N-OD2 2.87Å; L41-D76 PolarHBondContact O-N 2.91Å
77E98.6Very high97.8Very high73 Ų7339 Ų3934%0.34118%0.181SC..EExtended strand (participates in β ladder)trans-137.5141.6-176.4-170-177.9157.600110.7R13 L41 I42 V43 V75R13-E77 IonicContact CZ-OE2 2.66Å; R13-E77 IonicContact NH1-OE2 2.72Å; R13-E77 IonicContact NH2-OE2 3.69Å; R13-E77 PolarHBondContact NH2-OE2 3.34Å; L41-E77 PolarHBondContact O-N 3.27Å; I42-E77 HydrophobicContact CG1-CB 4.32Å; I42-E77 HydrophobicContact CG2-CB 4.3Å; I42-E77 HydrophobicContact CG2-CG 4.45Å; V43-E77 PolarHBondContact N-O 2.94Å; V75-E77 WeakPolarHBondContact CG1-O 3.45Å
78V98.8Very high97.8Very high19 Ų1935.1 Ų35.112%0.11517%0.169CC..EExtended strand (participates in β ladder)trans-115.8127.1172.8167.40000109.6V43 I45 I69 R70 V75V43-V78 WeakPolarHBondContact O-CA 3.46Å; I45-V78 HydrophobicContact CD1-CG1 3.47Å; I45-V78 VanDerWaalsContact CD1-CG1 3.47Å; I45-V78 HydrophobicContact CD1-CG2 4.39Å; I45-V78 HydrophobicContact CG1-CG1 4.23Å; I69-V78 HydrophobicContact CB-CG2 4.49Å; I69-V78 HydrophobicContact CG2-CG2 3.84Å; R70-V78 HydrophobicContact CB-CG2 4.3Å; R70-V78 HydrophobicContact CG-CB 3.67Å; R70-V78 HydrophobicContact CG-CG1 4.19Å; R70-V78 HydrophobicContact CG-CG2 3.45Å; R70-V78 VanDerWaalsContact CG-CG2 3.45Å; V75-V78 HydrophobicContact CG1-CG2 3.62Å
79V98.7Very high97.8Very high9 Ų941.6 Ų41.66%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-102.7117.1171174.10000108.9W15 I42 V43 G44 I45 Y94W15-V79 HydrophobicContact CH2-CB 3.81Å; W15-V79 HydrophobicContact CH2-CG1 3.93Å; W15-V79 HydrophobicContact CH2-CG2 4.07Å; W15-V79 HydrophobicContact CZ3-CB 4.05Å; W15-V79 HydrophobicContact CZ3-CG1 4.47Å; W15-V79 HydrophobicContact CZ3-CG2 3.79Å; I42-V79 HydrophobicContact CG2-CG2 3.85Å; V43-V79 PolarHBondContact O-N 2.96Å; G44-V79 CarbonylContact C-O 3.53Å; G44-V79 WeakPolarHBondContact CA-O 3.36Å; I45-V79 PolarHBondContact N-O 2.94Å; V79-Y94 HydrophobicContact CB-CE1 4.48Å; V79-Y94 HydrophobicContact CG1-CE1 3.97Å; V79-Y94 HydrophobicContact CG1-CE2 3.76Å; V79-Y94 WeakPolarHBondContact CG1-OH 3.3Å; V79-Y94 HydrophobicContact CG2-CD1 3.77Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; V79-Y94 HydrophobicContact CG2-CE1 3.63Å; V79-Y94 HydrophobicContact CG2-CE2 4.22Å; V79-Y94 HydrophobicContact CG2-CG 4.17Å
80E98.4Very high97.7Very high90 Ų9042.1 Ų42.142%0.42120%0.2SC..SBendtrans-79.1159.2175.3-58.1-169.9171.500111.3Y66 R70 A82Y66-E80 HydrophobicContact CD1-CG 4.14Å; Y66-E80 HydrophobicContact CD2-CB 3.99Å; Y66-E80 HydrophobicContact CD2-CG 3.44Å; Y66-E80 VanDerWaalsContact CD2-CG 3.44Å; Y66-E80 VanDerWaalsContact CD2-OE1 3.23Å; Y66-E80 WeakPolarHBondContact CD2-OE1 3.45Å; Y66-E80 HydrophobicContact CE1-CB 4.18Å; Y66-E80 HydrophobicContact CE1-CG 4.29Å; Y66-E80 HydrophobicContact CE2-CB 3.6Å; Y66-E80 VanDerWaalsContact CE2-CD 3.5Å; Y66-E80 HydrophobicContact CE2-CG 3.62Å; Y66-E80 HydrophobicContact CG-CB 4.44Å; Y66-E80 HydrophobicContact CG-CG 3.72Å; R70-E80 IonicContact CZ-OE1 2.7Å; R70-E80 IonicContact NH1-OE1 3.54Å; R70-E80 PolarHBondContact NH1-OE1 3.37Å; R70-E80 VanDerWaalsContact NH2-CD 3.33Å; R70-E80 IonicContact NH2-OE1 3.33Å; R70-E80 PolarHBondContact NH2-OE1 3.48Å; E80-A82 PolarHBondContact O-N 3.42Å
81D97.7Very high97.7Very high103 Ų10337.7 Ų37.755%0.55118%0.183SC*.SBendtrans46.343.9-178.7-166.633.7000113.7I45 S47 Y66I45-D81 PolarHBondContact O-N 3.22Å; S47-D81 WeakPolarHBondContact CB-OD1 3.41Å; S47-D81 PolarHBondContact OG-OD1 3.22Å; Y66-D81 PolarHBondContact OH-N 3.42Å
82A97.7Very high97.7Very high1 Ų143.3 Ų43.31%0.00821%0.209CC..  trans-68.4138.4176.900000110.5W15 I45 H46 E80W15-A82 HydrophobicContact CH2-CB 4.42Å; W15-A82 HydrophobicContact CZ2-CB 4.14Å; I45-A82 PolarHBondContact O-N 3.06Å; H46-A82 WeakPolarHBondContact CA-O 3.12Å; H46-A82 PolarHBondContact ND1-O 3.42Å; E80-A82 PolarHBondContact O-N 3.42Å
83P95.4Very high97.8Very high45 Ų4550.2 Ų50.229%0.29224%0.24SC..  trans-61.5149.8178.828.2-35.8000111.1H46 F85H46-P83 PolarHBondContact CE1-O 3Å; H46-P83 PolarHBondContact ND1-O 3.46Å; H46-P83 VanDerWaalsContact ND1-O 3.08Å; P83-F85 VanDerWaalsContact C-N 3.29Å; P83-F85 WeakPolarHBondContact CG-O 3.42Å; P83-F85 PolarHBondContact O-N 3.31Å
84Y95Very high97.8Very high8 Ų850.8 Ų50.83%0.03124%0.241CC..SBendtrans-67.7-30.4176-171.4-93.1000113.1H46 E50 H54 K55 P114H46-Y84 AromaticContact CD2-CD2 4Å; E50-Y84 WeakPolarHBondContact OE2-CB 3.33Å; E50-Y84 PolarHBondContact OE2-N 3.02Å; H54-Y84 HydrophobicContact CB-CD1 4.04Å; H54-Y84 HydrophobicContact CB-CD2 3.77Å; H54-Y84 HydrophobicContact CB-CE1 3.84Å; H54-Y84 HydrophobicContact CB-CE2 3.54Å; H54-Y84 HydrophobicContact CB-CG 4.02Å; H54-Y84 AromaticContact CD2-CD1 3.58Å; H54-Y84 AromaticContact CD2-CE1 3.86Å; H54-Y84 AromaticContact CE1-CG 3.82Å; H54-Y84 AromaticContact CG-CD1 3.57Å; H54-Y84 AromaticContact CG-CD2 3.84Å; H54-Y84 AromaticContact CG-CE1 3.83Å; H54-Y84 AromaticContact CG-CG 3.58Å; H54-Y84 AromaticContact ND1-CD1 3.87Å; H54-Y84 AromaticContact ND1-CD2 3.82Å; H54-Y84 AromaticContact ND1-CG 3.48Å; H54-Y84 AromaticContact NE2-CD1 3.92Å; K55-Y84 HydrophobicContact CD-CE2 4.08Å; K55-Y84 WeakPolarHBondContact CE-OH 3.36Å; K55-Y84 HydrophobicContact CG-CE2 4.18Å; Y84-P114 HydrophobicContact CD1-CB 4.26Å; Y84-P114 HydrophobicContact CD1-CG 4.14Å; Y84-P114 HydrophobicContact CE1-CB 4.11Å; Y84-P114 HydrophobicContact CE1-CG 3.54Å
85F96.3Very high97.8Very high42 Ų4252.9 Ų52.918%0.18426%0.259CS..SBendtrans-96.8132173.7-74-105.9000109.6H54 P83 Y87 S112 P114H54-F85 AromaticContact NE2-CE2 3.72Å; P83-F85 VanDerWaalsContact C-N 3.29Å; P83-F85 WeakPolarHBondContact CG-O 3.42Å; P83-F85 PolarHBondContact O-N 3.31Å; F85-Y87 HydrophobicContact CB-CE1 4.13Å; F85-Y87 HydrophobicContact CB-CE2 3.77Å; F85-Y87 WeakPolarHBondContact CB-OH 3.46Å; F85-Y87 WeakPolarHBondContact O-CD2 3.29Å; F85-Y87 WeakPolarHBondContact O-CE2 3.35Å; F85-S112 VanDerWaalsContact CE1-OG 3.24Å; F85-S112 WeakPolarHBondContact CE1-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.43Å; F85-P114 HydrophobicContact CD1-CB 4.28Å; F85-P114 HydrophobicContact CG-CB 4.47Å
86T97.6Very high97.8Very high3 Ų352.7 Ų52.72%0.01826%0.258CS..  trans-100.2111.9-177.4-61.20000109.6D17 L91 C99 P114 V118D17-T86 VanDerWaalsContact CG-OG1 3.3Å; D17-T86 PolarHBondContact OD2-OG1 3.46Å; T86-L91 HydrophobicContact CG2-CD2 4.29Å; T86-C99 HydrophobicContact CG2-CB 4.32Å; T86-P114 PolarHBondContact N-O 3.49Å; T86-V118 HydrophobicContact CG2-CG1 4.11Å; T86-V118 WeakPolarHBondContact O-CG1 3.34Å
87Y97.8Very high97.8Very high76 Ų7651.1 Ų51.130%0.29825%0.25SC..  trans-100.7156.2-177.7-56-72.7000110.9F85 K89 T90 L91 E117F85-Y87 HydrophobicContact CB-CE1 4.13Å; F85-Y87 HydrophobicContact CB-CE2 3.77Å; F85-Y87 WeakPolarHBondContact CB-OH 3.46Å; F85-Y87 WeakPolarHBondContact O-CD2 3.29Å; F85-Y87 WeakPolarHBondContact O-CE2 3.35Å; Y87-K89 PolarHBondContact O-N 3.03Å; Y87-T90 WeakPolarHBondContact O-CA 3.5Å; Y87-T90 VanDerWaalsContact O-CB 3.26Å; Y87-T90 WeakPolarHBondContact O-CB 3.32Å; Y87-T90 PolarHBondContact O-N 3.05Å; Y87-L91 PolarHBondContact O-N 2.88Å; Y87-E117 VanDerWaalsContact CD1-OE2 3.28Å; Y87-E117 WeakPolarHBondContact CD1-OE2 3.35Å
88V98.1Very high97.8Very high17 Ų1748.5 Ų48.510%0.10324%0.237CC..Hα-helixtrans-57.6-39.9173.5171.60000110.8T90 L91 E92 E117 V118 N121V88-T90 PolarHBondContact O-N 3.42Å; V88-L91 WeakPolarHBondContact O-CB 3.35Å; V88-L91 PolarHBondContact O-N 3.06Å; V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact CG1-OE1 3.09Å; V88-E92 WeakPolarHBondContact O-CG 2.94Å; V88-E92 PolarHBondContact O-N 3.39Å; V88-E117 WeakPolarHBondContact CB-OE1 3.46Å; V88-E117 HydrophobicContact CG2-CG 4.07Å; V88-E117 PolarHBondContact N-OE1 3.21Å; V88-V118 HydrophobicContact CG2-CG1 4.37Å; V88-N121 HydrophobicContact CG2-CB 3.84Å
89K98Very high97.8Very high136 Ų13647.6 Ų47.659%0.59123%0.232SC*.Hα-helixtrans-58.2-30.4173.967.9-179.9178.6-173.30113.5Y87 K93Y87-K89 PolarHBondContact O-N 3.03Å; K89-K93 VanDerWaalsContact O-CB 3.24Å; K89-K93 WeakPolarHBondContact O-CB 3.46Å; K89-K93 PolarHBondContact O-N 2.93Å
90T98.2Very high97.8Very high11 Ų1147.2 Ų47.27%0.06723%0.229CC..Hα-helixtrans-70-45.5176-57.60000109.6W15 Y87 V88 E92 K93 Y94W15-T90 HydrophobicContact CH2-CG2 4.11Å; W15-T90 HydrophobicContact CZ2-CG2 3.82Å; Y87-T90 WeakPolarHBondContact O-CA 3.5Å; Y87-T90 VanDerWaalsContact O-CB 3.26Å; Y87-T90 WeakPolarHBondContact O-CB 3.32Å; Y87-T90 PolarHBondContact O-N 3.05Å; V88-T90 PolarHBondContact O-N 3.42Å; T90-E92 VanDerWaalsContact C-N 3.33Å; T90-E92 PolarHBondContact O-N 2.88Å; T90-K93 PolarHBondContact O-N 3.44Å; T90-Y94 HydrophobicContact CG2-CD2 4.06Å; T90-Y94 HydrophobicContact CG2-CE2 4.1Å; T90-Y94 VanDerWaalsContact O-CD2 3.29Å; T90-Y94 WeakPolarHBondContact O-CD2 3.38Å; T90-Y94 PolarHBondContact O-N 3.26Å
91L98.6Very high97.7Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-61.5-42.1175.8-59.2-172.6000111.4W15 T86 Y87 V88 Y94 S95 C96 C99 V118 R123W15-L91 HydrophobicContact CB-CD2 3.47Å; W15-L91 VanDerWaalsContact CB-CD2 3.47Å; W15-L91 HydrophobicContact CD2-CD2 4.41Å; W15-L91 HydrophobicContact CG-CD2 3.62Å; T86-L91 HydrophobicContact CG2-CD2 4.29Å; Y87-L91 PolarHBondContact O-N 2.88Å; V88-L91 WeakPolarHBondContact O-CB 3.35Å; V88-L91 PolarHBondContact O-N 3.06Å; L91-Y94 CarbonylContact O-C 3.56Å; L91-S95 CarbonylContact O-C 3.58Å; L91-S95 WeakPolarHBondContact O-CA 3.14Å; L91-S95 PolarHBondContact O-N 2.83Å; L91-C96 HydrophobicContact CB-CB 4.47Å; L91-C96 HydrophobicContact CD2-CB 4.13Å; L91-C96 PolarHBondContact O-N 2.77Å; L91-C99 HydrophobicContact CD2-CB 4.24Å; L91-V118 HydrophobicContact CD1-CB 4.35Å; L91-V118 HydrophobicContact CD1-CG1 3.61Å; L91-V118 HydrophobicContact CG-CG1 4.1Å; L91-R123 HydrophobicContact CD1-CB 3.82Å
92E98.3Very high97.6Very high117 Ų11739.8 Ų39.855%0.54719%0.194SC..Hα-helixtrans-64.1-47.1175.9-69.8170171.900112.3V88 T90 Y94 S95 R123V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact CG1-OE1 3.09Å; V88-E92 WeakPolarHBondContact O-CG 2.94Å; V88-E92 PolarHBondContact O-N 3.39Å; T90-E92 VanDerWaalsContact C-N 3.33Å; T90-E92 PolarHBondContact O-N 2.88Å; E92-Y94 PolarHBondContact O-N 3.2Å; E92-S95 PolarHBondContact O-N 2.94Å; E92-R123 IonicContact OE1-NH1 2.81Å
93K98.3Very high97.3Very high151 Ų15142.4 Ų42.466%0.65721%0.208SC*.Hα-helixtrans-53.5-40.7178.2-178.9-177.4178.9-166.30112.3K89 T90K89-K93 VanDerWaalsContact O-CB 3.24Å; K89-K93 WeakPolarHBondContact O-CB 3.46Å; K89-K93 PolarHBondContact O-N 2.93Å; T90-K93 PolarHBondContact O-N 3.44Å
94Y98Very high96.8Very high50 Ų5041.9 Ų41.920%0.19620%0.203CC..THydrogen-bonded Turntrans-101.112.7-179.8-59-66.2000113.5R13 W15 V79 T90 L91 E92 C96R13-Y94 PolarHBondContact NE-O 3.12Å; R13-Y94 VanDerWaalsContact NE-O 3.11Å; R13-Y94 PolarHBondContact NH2-O 3.11Å; W15-Y94 HydrophobicContact CE3-CD2 4.12Å; W15-Y94 HydrophobicContact CE3-CG 4.46Å; W15-Y94 AromaticContact CH2-CD2 3.68Å; W15-Y94 HydrophobicContact CH2-CD2 3.68Å; W15-Y94 AromaticContact CH2-CE2 3.8Å; W15-Y94 HydrophobicContact CH2-CE2 3.8Å; W15-Y94 AromaticContact CZ3-CD2 3.32Å; W15-Y94 HydrophobicContact CZ3-CD2 3.32Å; W15-Y94 AromaticContact CZ3-CE2 3.9Å; W15-Y94 HydrophobicContact CZ3-CE2 3.9Å; W15-Y94 AromaticContact CZ3-CG 3.78Å; W15-Y94 HydrophobicContact CZ3-CG 3.78Å; V79-Y94 HydrophobicContact CB-CE1 4.48Å; V79-Y94 HydrophobicContact CG1-CE1 3.97Å; V79-Y94 HydrophobicContact CG1-CE2 3.76Å; V79-Y94 WeakPolarHBondContact CG1-OH 3.3Å; V79-Y94 HydrophobicContact CG2-CD1 3.77Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; V79-Y94 HydrophobicContact CG2-CE1 3.63Å; V79-Y94 HydrophobicContact CG2-CE2 4.22Å; V79-Y94 HydrophobicContact CG2-CG 4.17Å; T90-Y94 HydrophobicContact CG2-CD2 4.06Å; T90-Y94 HydrophobicContact CG2-CE2 4.1Å; T90-Y94 VanDerWaalsContact O-CD2 3.29Å; T90-Y94 WeakPolarHBondContact O-CD2 3.38Å; T90-Y94 PolarHBondContact O-N 3.26Å; L91-Y94 CarbonylContact O-C 3.56Å; E92-Y94 PolarHBondContact O-N 3.2Å; Y94-C96 PolarHBondContact O-N 2.74Å; Y94-C96 VanDerWaalsContact O-N 3.15Å; Y94-C96 PolarHBondContact O-SG 2.76Å; Y94-C96 VanDerWaalsContact O-SG 3.41Å
95S97.9Very high96Very high68 Ų6844.1 Ų44.148%0.47622%0.215SC..THydrogen-bonded Turntrans52.332.8179.6-62.70000114.2R13 L91 E92R13-S95 VanDerWaalsContact CB-O 3.31Å; R13-S95 WeakPolarHBondContact CB-O 3.39Å; R13-S95 VanDerWaalsContact CD-O 3.31Å; R13-S95 WeakPolarHBondContact CD-O 3.35Å; L91-S95 CarbonylContact O-C 3.58Å; L91-S95 WeakPolarHBondContact O-CA 3.14Å; L91-S95 PolarHBondContact O-N 2.83Å; E92-S95 PolarHBondContact O-N 2.94Å
96C98.6Very high95Very high1 Ų143.2 Ų43.21%0.00721%0.213CC..  trans-87.2135.6178.7-63.50000110.7R13 W15 L91 Y94 R123R13-C96 HydrophobicContact CB-CB 4.48Å; R13-C96 CarbonylContact O-C 3.6Å; R13-C96 WeakPolarHBondContact O-CA 3.44Å; W15-C96 HydrophobicContact CB-CB 3.74Å; L91-C96 HydrophobicContact CB-CB 4.47Å; L91-C96 HydrophobicContact CD2-CB 4.13Å; L91-C96 PolarHBondContact O-N 2.77Å; Y94-C96 PolarHBondContact O-N 2.74Å; Y94-C96 VanDerWaalsContact O-N 3.15Å; Y94-C96 PolarHBondContact O-SG 2.76Å; Y94-C96 VanDerWaalsContact O-SG 3.41Å; C96-R123 PolarHBondContact O-NH2 3.1Å
97D98.5Very high94.1Very high54 Ų5444.9 Ų44.929%0.28922%0.223SC..SBendtrans-75.2-39.3-178-60.1-77000112I12 R13 R123I12-D97 VanDerWaalsContact CA-OD2 3.31Å; I12-D97 WeakPolarHBondContact CA-OD2 3.28Å; I12-D97 HydrophobicContact CG2-CB 4.46Å; R13-D97 PolarHBondContact N-OD2 2.8Å; R13-D97 PolarHBondContact O-N 2.87Å; D97-R123 WeakPolarHBondContact O-CG 3.25Å; D97-R123 PolarHBondContact O-NE 2.84Å
98F98.6Very high93.2Very high17 Ų1741.4 Ų41.48%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-152.9157.517854.7-91.1000112.1I12 V14 W15 L37 V100 R123 K125I12-F98 HydrophobicContact CG2-CE1 3.72Å; I12-F98 HydrophobicContact CG2-CZ 4.21Å; V14-F98 HydrophobicContact CB-CE2 4.44Å; V14-F98 HydrophobicContact CG1-CD2 4.45Å; V14-F98 HydrophobicContact CG1-CE2 3.93Å; V14-F98 HydrophobicContact CG2-CE2 3.88Å; V14-F98 HydrophobicContact CG2-CZ 3.71Å; W15-F98 PolarHBondContact N-O 3.22Å; L37-F98 HydrophobicContact CB-CE2 4.06Å; L37-F98 HydrophobicContact CB-CZ 3.96Å; L37-F98 HydrophobicContact CD1-CE2 4.44Å; L37-F98 WeakPolarHBondContact O-CZ 3.46Å; F98-V100 HydrophobicContact CD2-CG2 3.69Å; F98-V100 HydrophobicContact CE2-CG2 3.52Å; F98-R123 CarbonylContact C-O 3.59Å; F98-R123 WeakPolarHBondContact CA-O 3.31Å; F98-R123 HydrophobicContact CB-CB 4.3Å; F98-R123 WeakPolarHBondContact CB-O 3.4Å; F98-K125 HydrophobicContact CD2-CB 4.34Å; F98-K125 HydrophobicContact CD2-CD 3.71Å; F98-K125 HydrophobicContact CD2-CG 3.9Å; F98-K125 HydrophobicContact CE1-CD 4.5Å; F98-K125 HydrophobicContact CE2-CD 3.57Å; F98-K125 HydrophobicContact CE2-CG 4.25Å; F98-K125 HydrophobicContact CG-CD 4.25Å; F98-K125 HydrophobicContact CG-CG 4.41Å; F98-K125 HydrophobicContact CZ-CD 4.01Å; F98-K125 VanDerWaalsContact CZ-NZ 3.32Å
99C98.6Very high92.1Very high0 Ų044.9 Ų44.90%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2144169.5-1750000110.6W15 T86 L91 Y115 V118 R123 Y124 K125W15-C99 CarbonylContact O-C 3.58Å; W15-C99 VanDerWaalsContact O-CA 3.29Å; W15-C99 WeakPolarHBondContact O-CA 3.37Å; T86-C99 HydrophobicContact CG2-CB 4.32Å; L91-C99 HydrophobicContact CD2-CB 4.24Å; C99-Y115 VanDerWaalsContact SG-CE1 3.59Å; C99-V118 HydrophobicContact CB-CG2 4.19Å; C99-R123 PolarHBondContact N-O 3.04Å; C99-Y124 HydrophobicContact CB-CD2 4.29Å; C99-Y124 CarbonylContact O-C 3.43Å; C99-Y124 VanDerWaalsContact O-CA 3.32Å; C99-Y124 WeakPolarHBondContact O-CA 3.35Å; C99-K125 PolarHBondContact O-N 2.95Å
100V98.6Very high91.2Very high1 Ų144.1 Ų44.11%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-123.4135.1172.3176.20000109.5V14 W15 V16 A34 L37 F98 K125 V127V14-V100 HydrophobicContact CG1-CB 4.06Å; V14-V100 HydrophobicContact CG1-CG2 3.4Å; W15-V100 PolarHBondContact O-N 2.83Å; V16-V100 HydrophobicContact CG2-CB 3.93Å; V16-V100 HydrophobicContact CG2-CG1 4.45Å; A34-V100 HydrophobicContact CB-CB 4.02Å; A34-V100 HydrophobicContact CB-CG1 3.76Å; A34-V100 HydrophobicContact CB-CG2 4.42Å; L37-V100 HydrophobicContact CD1-CG1 4.32Å; L37-V100 HydrophobicContact CD1-CG2 3.82Å; F98-V100 HydrophobicContact CD2-CG2 3.69Å; F98-V100 HydrophobicContact CE2-CG2 3.52Å; V100-K125 VanDerWaalsContact CA-O 3.28Å; V100-K125 WeakPolarHBondContact CA-O 3.41Å; V100-K125 HydrophobicContact CG2-CB 4.23Å; V100-V127 HydrophobicContact CG1-CB 4.35Å; V100-V127 HydrophobicContact CG1-CG1 3.58Å; V100-V127 HydrophobicContact CG1-CG2 3.93Å
101H97.1Very high90.4Very high28 Ų2846.2 Ų46.213%0.1325%0.254CS..EExtended strand (participates in β ladder)trans-134.3166.4172-167.2-91.8000111.1D104 V106 Y115 Y124 K125 E126 V127H101-D104 IonicContact CE1-OD1 3.36Å; H101-D104 PolarHBondContact CE1-OD1 3.2Å; H101-D104 IonicContact CE1-OD2 3.59Å; H101-D104 IonicContact ND1-OD1 3.57Å; H101-D104 PolarHBondContact ND1-OD1 2.86Å; H101-V106 WeakPolarHBondContact CE1-CG2 3.33Å; H101-V106 WeakPolarHBondContact ND1-CG2 3.31Å; H101-Y115 HydrophobicContact CB-CE2 4.21Å; H101-Y115 AromaticContact CD2-CE2 3.61Å; H101-Y115 AromaticContact CD2-CZ 3.52Å; H101-Y115 PolarHBondContact CD2-OH 3.22Å; H101-Y115 AromaticContact CG-CE2 3.77Å; H101-Y115 AromaticContact CG-CZ 3.97Å; H101-Y124 HydrophobicContact CB-CE2 3.81Å; H101-Y124 WeakPolarHBondContact CB-OH 3.41Å; H101-K125 PolarHBondContact N-O 2.93Å; H101-K125 VanDerWaalsContact N-O 3.08Å; H101-E126 CarbonylContact O-C 3.49Å; H101-E126 VanDerWaalsContact O-CA 3.28Å; H101-E126 WeakPolarHBondContact O-CA 3.42Å; H101-V127 PolarHBondContact O-N 2.75Å
102G94.1Very high89.8Confident10 Ų1048 Ų4810%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-61.1155.6166.200000111.6D104 V127G102-D104 WeakPolarHBondContact CA-OD1 3.31Å; G102-D104 PolarHBondContact O-N 3.47Å; G102-D104 VanDerWaalsContact O-N 3.11Å; G102-V127 CarbonylContact C-O 3.41Å; G102-V127 WeakPolarHBondContact CA-O 3.31Å
103D91.4Very high89.5Confident55 Ų5544.6 Ų44.629%0.29425%0.252SS..SBendtrans-72.114.2171.760.7-8.7000113.7V127 R129D103-V127 PolarHBondContact N-O 3.22Å; D103-R129 WeakPolarHBondContact OD1-CB 3.48Å; D103-R129 PolarHBondContact OD1-N 2.76Å
104D85.3Confident89.3Confident35 Ų3537.6 Ų37.619%0.18722%0.221CC..SBendtrans-78.9152173.558.7-53.1000112.6H101 G102 V106H101-D104 IonicContact CE1-OD1 3.36Å; H101-D104 PolarHBondContact CE1-OD1 3.2Å; H101-D104 IonicContact CE1-OD2 3.59Å; H101-D104 IonicContact ND1-OD1 3.57Å; H101-D104 PolarHBondContact ND1-OD1 2.86Å; G102-D104 WeakPolarHBondContact CA-OD1 3.31Å; G102-D104 PolarHBondContact O-N 3.47Å; G102-D104 VanDerWaalsContact O-N 3.11Å; D104-V106 WeakPolarHBondContact O-CG2 3.5Å; D104-V106 PolarHBondContact O-N 3.47Å; D104-V106 VanDerWaalsContact O-N 3.15Å
105L78.1Confident89.3Confident54 Ų5435.5 Ų35.528%0.28321%0.213SC..  trans-64116.2176.3-68.5174.8000110.6L404 F408L105-L404 HydrophobicContact CB-CD1 4.43Å; L105-L404 HydrophobicContact CD1-CB 3.94Å; L105-L404 HydrophobicContact CD1-CD1 4.42Å; L105-F408 HydrophobicContact CD2-CD2 4.46Å; L105-F408 HydrophobicContact CD2-CE2 3.75Å; L105-F408 HydrophobicContact CD2-CZ 4.41Å
106V76.4Confident89.2Confident23 Ų2334.7 Ų34.714%0.13921%0.211CC..  trans-107.9110.9175.9-165.70000110.2H101 D104 P114 Y115H101-V106 WeakPolarHBondContact CE1-CG2 3.33Å; H101-V106 WeakPolarHBondContact ND1-CG2 3.31Å; D104-V106 WeakPolarHBondContact O-CG2 3.5Å; D104-V106 PolarHBondContact O-N 3.47Å; D104-V106 VanDerWaalsContact O-N 3.15Å; V106-P114 HydrophobicContact CG1-CB 4.45Å; V106-P114 HydrophobicContact CG1-CG 3.75Å; V106-Y115 HydrophobicContact CB-CD2 4.26Å; V106-Y115 HydrophobicContact CB-CE2 4.17Å; V106-Y115 HydrophobicContact CG1-CD2 4.18Å; V106-Y115 HydrophobicContact CG1-CE2 3.81Å; V106-Y115 HydrophobicContact CG2-CD2 4.36Å; V106-Y115 HydrophobicContact CG2-CE2 4.01Å
107V77.8Confident89.1Confident38 Ų3838.5 Ų38.523%0.2323%0.229CC..  trans-136.7134174.2-175.20000109.6G111 L404V107-G111 VanDerWaalsContact CG1-C 3.47Å; V107-G111 VanDerWaalsContact CG1-CA 3.45Å; V107-G111 WeakPolarHBondContact CG1-O 3.35Å; V107-L404 HydrophobicContact CB-CD1 3.86Å; V107-L404 HydrophobicContact CG2-CD1 3.27Å; V107-L404 HydrophobicContact CG2-CD2 3.84Å; V107-L404 HydrophobicContact CG2-CG 4.18Å
108S78Confident89.1Confident4 Ų435.9 Ų35.93%0.02822%0.215CC..  trans-69.4172.8175.8175.80000111.8D110 G111 S112S108-D110 WeakPolarHBondContact CB-OD1 3.49Å; S108-D110 PolarHBondContact O-N 3.08Å; S108-D110 PolarHBondContact OG-OD1 3.09Å; S108-G111 PolarHBondContact O-N 3.32Å; S108-S112 VanDerWaalsContact CB-O 3.31Å; S108-S112 WeakPolarHBondContact CB-O 3.43Å; S108-S112 WeakPolarHBondContact CB-OG 3.32Å; S108-S112 PolarHBondContact N-O 2.93Å
109N74.9Confident89Confident90 Ų9038.6 Ų38.648%0.48123%0.227SC..THydrogen-bonded Turntrans-61.3-30.4176.2-84.9-18.6000113.7K53 H54 G111 K400K53-N109 PolarHBondContact O-ND2 2.78Å; H54-N109 WeakPolarHBondContact CA-ND2 3.37Å; H54-N109 VanDerWaalsContact O-CG 3.23Å; H54-N109 PolarHBondContact O-ND2 2.96Å; H54-N109 VanDerWaalsContact O-ND2 3.12Å; H54-N109 PolarHBondContact O-OD1 2.79Å; N109-G111 VanDerWaalsContact C-N 3.34Å; N109-K400 PolarHBondContact OD1-NZ 3.13Å
110D80.4Confident89Confident120 Ų12042.5 Ų42.564%0.64226%0.258SS*.THydrogen-bonded Turntrans-893.2178.362.2-7.1000113.6S108 S112S108-D110 WeakPolarHBondContact CB-OD1 3.49Å; S108-D110 PolarHBondContact O-N 3.08Å; S108-D110 PolarHBondContact OG-OD1 3.09Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 WeakPolarHBondContact OD1-CB 3.38Å; D110-S112 PolarHBondContact OD1-N 3.07Å; D110-S112 VanDerWaalsContact OD1-N 3.14Å; D110-S112 PolarHBondContact OD1-OG 3.35Å; D110-S112 PolarHBondContact OD2-OG 3.11Å
111G80.3Confident89Confident54 Ų5446.4 Ų46.456%0.55728%0.28SS*.SBendtrans86.4-2-178.800000114.8V107 S108 N109V107-G111 VanDerWaalsContact CG1-C 3.47Å; V107-G111 VanDerWaalsContact CG1-CA 3.45Å; V107-G111 WeakPolarHBondContact CG1-O 3.35Å; S108-G111 PolarHBondContact O-N 3.32Å; N109-G111 VanDerWaalsContact C-N 3.34Å
112S87.3Confident89Confident37 Ų3752.5 Ų52.526%0.25931%0.313SS..  trans-77.4151.8177.764.40000112.4F85 S108 D110 P114F85-S112 VanDerWaalsContact CE1-OG 3.24Å; F85-S112 WeakPolarHBondContact CE1-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.43Å; S108-S112 VanDerWaalsContact CB-O 3.31Å; S108-S112 WeakPolarHBondContact CB-O 3.43Å; S108-S112 WeakPolarHBondContact CB-OG 3.32Å; S108-S112 PolarHBondContact N-O 2.93Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 WeakPolarHBondContact OD1-CB 3.38Å; D110-S112 PolarHBondContact OD1-N 3.07Å; D110-S112 VanDerWaalsContact OD1-N 3.14Å; D110-S112 PolarHBondContact OD1-OG 3.35Å; D110-S112 PolarHBondContact OD2-OG 3.11Å; S112-P114 WeakPolarHBondContact O-CD 3.29Å
113D91.7Very high89.2Confident47 Ų4754.7 Ų54.725%0.25132%0.318SS..  trans-85.2115.3173.1176.8-2.4000109.5Y115 A116 K119D113-Y115 PolarHBondContact O-N 3.46Å; D113-Y115 PolarHBondContact OD1-N 2.92Å; D113-A116 HydrophobicContact CB-CB 4.14Å; D113-A116 WeakPolarHBondContact O-CB 3.41Å; D113-A116 PolarHBondContact O-N 2.81Å; D113-A116 VanDerWaalsContact O-N 3.07Å; D113-K119 IonicContact OD1-NZ 2.73Å; D113-K119 WeakPolarHBondContact OD2-CD 3.47Å; D113-K119 WeakPolarHBondContact OD2-CE 3.44Å; D113-K119 IonicContact OD2-NZ 3.07Å; D113-K119 PolarHBondContact OD2-NZ 3.14Å
114P94.3Very high89.6Confident3 Ų353.6 Ų53.62%0.01931%0.31CS..THydrogen-bonded Turntrans-60.9-15.5-179.7-24.136.8000114.8Y84 F85 T86 V106 S112Y84-P114 HydrophobicContact CD1-CB 4.26Å; Y84-P114 HydrophobicContact CD1-CG 4.14Å; Y84-P114 HydrophobicContact CE1-CB 4.11Å; Y84-P114 HydrophobicContact CE1-CG 3.54Å; F85-P114 HydrophobicContact CD1-CB 4.28Å; F85-P114 HydrophobicContact CG-CB 4.47Å; T86-P114 PolarHBondContact N-O 3.49Å; V106-P114 HydrophobicContact CG1-CB 4.45Å; V106-P114 HydrophobicContact CG1-CG 3.75Å; S112-P114 WeakPolarHBondContact O-CD 3.29Å
115Y96.7Very high90.2Very high6 Ų656.2 Ų56.22%0.02432%0.32CS..THydrogen-bonded Turntrans-111.110.3-179.5-57.9-73.6000113.2D17 C99 H101 V106 D113 E117 V118 K119 Y124D17-Y115 PolarHBondContact OD1-OH 3.46Å; C99-Y115 VanDerWaalsContact SG-CE1 3.59Å; H101-Y115 HydrophobicContact CB-CE2 4.21Å; H101-Y115 AromaticContact CD2-CE2 3.61Å; H101-Y115 AromaticContact CD2-CZ 3.52Å; H101-Y115 PolarHBondContact CD2-OH 3.22Å; H101-Y115 AromaticContact CG-CE2 3.77Å; H101-Y115 AromaticContact CG-CZ 3.97Å; V106-Y115 HydrophobicContact CB-CD2 4.26Å; V106-Y115 HydrophobicContact CB-CE2 4.17Å; V106-Y115 HydrophobicContact CG1-CD2 4.18Å; V106-Y115 HydrophobicContact CG1-CE2 3.81Å; V106-Y115 HydrophobicContact CG2-CD2 4.36Å; V106-Y115 HydrophobicContact CG2-CE2 4.01Å; D113-Y115 PolarHBondContact O-N 3.46Å; D113-Y115 PolarHBondContact OD1-N 2.92Å; Y115-E117 VanDerWaalsContact C-N 3.31Å; Y115-E117 PolarHBondContact O-N 2.93Å; Y115-V118 HydrophobicContact CD1-CG2 4.18Å; Y115-V118 WeakPolarHBondContact O-CG2 3.47Å; Y115-V118 PolarHBondContact O-N 2.48Å; Y115-K119 WeakPolarHBondContact O-CB 3.14Å; Y115-K119 WeakPolarHBondContact O-CG 3.28Å; Y115-K119 PolarHBondContact O-N 3.09Å; Y115-Y124 HydrophobicContact CD1-CD2 4.11Å; Y115-Y124 AromaticContact CD1-CE2 3.81Å; Y115-Y124 HydrophobicContact CD1-CE2 3.81Å; Y115-Y124 AromaticContact CD2-CE2 3.87Å; Y115-Y124 HydrophobicContact CD2-CE2 3.87Å; Y115-Y124 HydrophobicContact CE1-CE2 4.49Å; Y115-Y124 AromaticContact CG-CD2 3.99Å; Y115-Y124 HydrophobicContact CG-CD2 3.99Å; Y115-Y124 AromaticContact CG-CE2 3.47Å; Y115-Y124 HydrophobicContact CG-CE2 3.47Å; Y115-Y124 VanDerWaalsContact CG-CE2 3.47Å
116A96Very high91.1Very high52 Ų5258.9 Ų58.943%0.4333%0.331SS..Hα-helixtrans-52.8-45.5-176.200000113.1D113 K119 A120D113-A116 HydrophobicContact CB-CB 4.14Å; D113-A116 WeakPolarHBondContact O-CB 3.41Å; D113-A116 PolarHBondContact O-N 2.81Å; D113-A116 VanDerWaalsContact O-N 3.07Å; A116-K119 PolarHBondContact O-N 2.8Å; A116-A120 WeakPolarHBondContact O-CB 3.37Å; A116-A120 PolarHBondContact O-N 3.33Å
117E97.6Very high92.1Very high80 Ų8058.4 Ų58.437%0.37433%0.328SS..Hα-helixtrans-67.3-45.2-176.7-168.7-176.6114.200112.2Y87 V88 Y115 K119 A120 N121Y87-E117 VanDerWaalsContact CD1-OE2 3.28Å; Y87-E117 WeakPolarHBondContact CD1-OE2 3.35Å; V88-E117 WeakPolarHBondContact CB-OE1 3.46Å; V88-E117 HydrophobicContact CG2-CG 4.07Å; V88-E117 PolarHBondContact N-OE1 3.21Å; Y115-E117 VanDerWaalsContact C-N 3.31Å; Y115-E117 PolarHBondContact O-N 2.93Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 3.16Å; E117-A120 PolarHBondContact O-N 3.36Å; E117-N121 PolarHBondContact O-N 2.8Å; E117-N121 VanDerWaalsContact O-N 3.15Å; E117-N121 PolarHBondContact O-ND2 2.85Å
118V98Very high93Very high0 Ų062.1 Ų62.10%034%0.341CS..Hα-helixtrans-69.9-30.3178.6-69.10000112.4T86 V88 L91 C99 Y115 N121 N122 R123 Y124T86-V118 HydrophobicContact CG2-CG1 4.11Å; T86-V118 WeakPolarHBondContact O-CG1 3.34Å; V88-V118 HydrophobicContact CG2-CG1 4.37Å; L91-V118 HydrophobicContact CD1-CB 4.35Å; L91-V118 HydrophobicContact CD1-CG1 3.61Å; L91-V118 HydrophobicContact CG-CG1 4.1Å; C99-V118 HydrophobicContact CB-CG2 4.19Å; Y115-V118 HydrophobicContact CD1-CG2 4.18Å; Y115-V118 WeakPolarHBondContact O-CG2 3.47Å; Y115-V118 PolarHBondContact O-N 2.48Å; V118-N121 PolarHBondContact O-N 2.93Å; V118-N122 PolarHBondContact O-N 3.42Å; V118-R123 CarbonylContact O-C 3.53Å; V118-R123 WeakPolarHBondContact O-CA 3.06Å; V118-R123 PolarHBondContact O-N 2.96Å; V118-Y124 HydrophobicContact CG2-CD2 4.01Å
119K97.2Very high93.7Very high74 Ų7464 Ų6432%0.32235%0.348SS..Hα-helixtrans-64.8-49.1170-74.2173.9-179.3175.60111.5D113 Y115 A116 E117 N121 N122 Y124D113-K119 IonicContact OD1-NZ 2.73Å; D113-K119 WeakPolarHBondContact OD2-CD 3.47Å; D113-K119 WeakPolarHBondContact OD2-CE 3.44Å; D113-K119 IonicContact OD2-NZ 3.07Å; D113-K119 PolarHBondContact OD2-NZ 3.14Å; Y115-K119 WeakPolarHBondContact O-CB 3.14Å; Y115-K119 WeakPolarHBondContact O-CG 3.28Å; Y115-K119 PolarHBondContact O-N 3.09Å; A116-K119 PolarHBondContact O-N 2.8Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 3.16Å; K119-N121 PolarHBondContact O-N 3.35Å; K119-N121 VanDerWaalsContact O-N 3.12Å; K119-N122 PolarHBondContact O-N 3.43Å; K119-Y124 HydrophobicContact CD-CD1 4.22Å; K119-Y124 HydrophobicContact CD-CE1 4.36Å; K119-Y124 HydrophobicContact CD-CG 4.48Å; K119-Y124 VanDerWaalsContact CE-CZ 3.49Å; K119-Y124 HydrophobicContact CG-CD1 3.62Å; K119-Y124 HydrophobicContact CG-CD2 4.2Å; K119-Y124 HydrophobicContact CG-CE1 4.23Å; K119-Y124 HydrophobicContact CG-CG 3.58Å
120A97.7Very high94.5Very high81 Ų8160.2 Ų60.267%0.66933%0.327SS*.Hα-helixtrans-59.1-25.3177.800000113A116 E117A116-A120 WeakPolarHBondContact O-CB 3.37Å; A116-A120 PolarHBondContact O-N 3.33Å; E117-A120 PolarHBondContact O-N 3.36Å
121N98.2Very high95Very high84 Ų8459.2 Ų59.245%0.44932%0.319SS..THydrogen-bonded Turntrans-97.211.3178.1-74.7-88.2000114.2V88 E117 V118 K119 R123V88-N121 HydrophobicContact CG2-CB 3.84Å; E117-N121 PolarHBondContact O-N 2.8Å; E117-N121 VanDerWaalsContact O-N 3.15Å; E117-N121 PolarHBondContact O-ND2 2.85Å; V118-N121 PolarHBondContact O-N 2.93Å; K119-N121 PolarHBondContact O-N 3.35Å; K119-N121 VanDerWaalsContact O-N 3.12Å; N121-R123 WeakPolarHBondContact O-CG 3.31Å; N121-R123 PolarHBondContact O-N 3.36Å
122N98.2Very high95.4Very high155 Ų15557.5 Ų57.583%0.82930%0.301SS*.THydrogen-bonded Turntrans56.827.6-177.4-59.2-61.7000114.4V118 K119V118-N122 PolarHBondContact O-N 3.42Å; K119-N122 PolarHBondContact O-N 3.43Å
123R98.3Very high95.7Very high56 Ų5655.9 Ų55.921%0.21129%0.29CS..  trans-113.936-179.1-67.917876.8178.13.1111.1L91 E92 C96 D97 F98 C99 V118 N121L91-R123 HydrophobicContact CD1-CB 3.82Å; E92-R123 IonicContact OE1-NH1 2.81Å; C96-R123 PolarHBondContact O-NH2 3.1Å; D97-R123 WeakPolarHBondContact O-CG 3.25Å; D97-R123 PolarHBondContact O-NE 2.84Å; F98-R123 CarbonylContact C-O 3.59Å; F98-R123 WeakPolarHBondContact CA-O 3.31Å; F98-R123 HydrophobicContact CB-CB 4.3Å; F98-R123 WeakPolarHBondContact CB-O 3.4Å; C99-R123 PolarHBondContact N-O 3.04Å; V118-R123 CarbonylContact O-C 3.53Å; V118-R123 WeakPolarHBondContact O-CA 3.06Å; V118-R123 PolarHBondContact O-N 2.96Å; N121-R123 WeakPolarHBondContact O-CG 3.31Å; N121-R123 PolarHBondContact O-N 3.36Å
124Y98.4Very high95.7Very high32 Ų3253.9 Ų53.913%0.12528%0.28CS..EExtended strand (participates in β ladder)trans-134.7137.1178.2-178.2-92.2000110.6C99 H101 Y115 V118 K119 E126C99-Y124 HydrophobicContact CB-CD2 4.29Å; C99-Y124 CarbonylContact O-C 3.43Å; C99-Y124 VanDerWaalsContact O-CA 3.32Å; C99-Y124 WeakPolarHBondContact O-CA 3.35Å; H101-Y124 HydrophobicContact CB-CE2 3.81Å; H101-Y124 WeakPolarHBondContact CB-OH 3.41Å; Y115-Y124 HydrophobicContact CD1-CD2 4.11Å; Y115-Y124 AromaticContact CD1-CE2 3.81Å; Y115-Y124 HydrophobicContact CD1-CE2 3.81Å; Y115-Y124 AromaticContact CD2-CE2 3.87Å; Y115-Y124 HydrophobicContact CD2-CE2 3.87Å; Y115-Y124 HydrophobicContact CE1-CE2 4.49Å; Y115-Y124 AromaticContact CG-CD2 3.99Å; Y115-Y124 HydrophobicContact CG-CD2 3.99Å; Y115-Y124 AromaticContact CG-CE2 3.47Å; Y115-Y124 HydrophobicContact CG-CE2 3.47Å; Y115-Y124 VanDerWaalsContact CG-CE2 3.47Å; V118-Y124 HydrophobicContact CG2-CD2 4.01Å; K119-Y124 HydrophobicContact CD-CD1 4.22Å; K119-Y124 HydrophobicContact CD-CE1 4.36Å; K119-Y124 HydrophobicContact CD-CG 4.48Å; K119-Y124 VanDerWaalsContact CE-CZ 3.49Å; K119-Y124 HydrophobicContact CG-CD1 3.62Å; K119-Y124 HydrophobicContact CG-CD2 4.2Å; K119-Y124 HydrophobicContact CG-CE1 4.23Å; K119-Y124 HydrophobicContact CG-CG 3.58Å; Y124-E126 HydrophobicContact CD1-CG 4.3Å; Y124-E126 HydrophobicContact CE1-CG 3.41Å; Y124-E126 VanDerWaalsContact CE1-CG 3.41Å; Y124-E126 WeakPolarHBondContact CE1-OE1 3.46Å; Y124-E126 PolarHBondContact OH-OE1 3.12Å
125K98.4Very high95.4Very high91 Ų9154.9 Ų54.940%0.39629%0.286SS..EExtended strand (participates in β ladder)trans-136.9157.9174.6-60-174.6-174.3172.10110.3L37 F98 C99 V100 H101L37-K125 HydrophobicContact CD1-CB 4.48Å; L37-K125 HydrophobicContact CD1-CD 4.32Å; F98-K125 HydrophobicContact CD2-CB 4.34Å; F98-K125 HydrophobicContact CD2-CD 3.71Å; F98-K125 HydrophobicContact CD2-CG 3.9Å; F98-K125 HydrophobicContact CE1-CD 4.5Å; F98-K125 HydrophobicContact CE2-CD 3.57Å; F98-K125 HydrophobicContact CE2-CG 4.25Å; F98-K125 HydrophobicContact CG-CD 4.25Å; F98-K125 HydrophobicContact CG-CG 4.41Å; F98-K125 HydrophobicContact CZ-CD 4.01Å; F98-K125 VanDerWaalsContact CZ-NZ 3.32Å; C99-K125 PolarHBondContact O-N 2.95Å; V100-K125 VanDerWaalsContact CA-O 3.28Å; V100-K125 WeakPolarHBondContact CA-O 3.41Å; V100-K125 HydrophobicContact CG2-CB 4.23Å; H101-K125 PolarHBondContact N-O 2.93Å; H101-K125 VanDerWaalsContact N-O 3.08Å
126E97.6Very high94.9Very high109 Ų10955 Ų5551%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-115.2149.5179.8-64.2-178.3160.300111.6H101 Y124H101-E126 CarbonylContact O-C 3.49Å; H101-E126 VanDerWaalsContact O-CA 3.28Å; H101-E126 WeakPolarHBondContact O-CA 3.42Å; Y124-E126 HydrophobicContact CD1-CG 4.3Å; Y124-E126 HydrophobicContact CE1-CG 3.41Å; Y124-E126 VanDerWaalsContact CE1-CG 3.41Å; Y124-E126 WeakPolarHBondContact CE1-OE1 3.46Å; Y124-E126 PolarHBondContact OH-OE1 3.12Å
127V97.9Very high94.5Very high13 Ų1352.9 Ų52.98%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-126.5148.8171.9-66.30000110.1Q33 L37 V100 H101 G102 D103 R129Q33-V127 HydrophobicContact CB-CB 3.74Å; Q33-V127 HydrophobicContact CB-CG1 3.62Å; Q33-V127 HydrophobicContact CB-CG2 4.22Å; L37-V127 HydrophobicContact CD1-CG1 3.95Å; V100-V127 HydrophobicContact CG1-CB 4.35Å; V100-V127 HydrophobicContact CG1-CG1 3.58Å; V100-V127 HydrophobicContact CG1-CG2 3.93Å; H101-V127 PolarHBondContact O-N 2.75Å; G102-V127 CarbonylContact C-O 3.41Å; G102-V127 WeakPolarHBondContact CA-O 3.31Å; D103-V127 PolarHBondContact N-O 3.22Å; V127-R129 PolarHBondContact O-N 2.9Å
128K95.5Very high94.2Very high116 Ų11649.3 Ų49.350%0.50425%0.253SS..  trans-65.6125.5-176.7-172.8173.6179.9-178.10111.1Q33 E131Q33-K128 PolarHBondContact NE2-O 3.26Å; K128-E131 WeakPolarHBondContact CE-OE1 3.37Å; K128-E131 IonicContact NZ-OE1 2.64Å; K128-E131 PolarHBondContact NZ-OE1 3.27Å
129R92.5Very high93.7Very high45 Ų4549.4 Ų49.417%0.1725%0.254CS..  trans-64.6143173179.2170.6158.559.518.7111D103 V127 E131 I133 S134 W219D103-R129 WeakPolarHBondContact OD1-CB 3.48Å; D103-R129 PolarHBondContact OD1-N 2.76Å; V127-R129 PolarHBondContact O-N 2.9Å; R129-E131 PolarHBondContact O-N 2.75Å; R129-I133 PolarHBondContact NH2-O 3.37Å; R129-S134 VanDerWaalsContact NH2-CB 3.27Å; R129-W219 PolarHBondContact NE-O 2.85Å; R129-W219 PolarHBondContact NH2-O 3.49Å
130T93.4Very high93.1Very high9 Ų948.4 Ų48.46%0.05526%0.256CS..  trans-76115.8172.9-57.10000110.1F25 N29 I133 Y226F25-T130 HydrophobicContact CD2-CG2 4.22Å; F25-T130 HydrophobicContact CE2-CG2 3.84Å; N29-T130 WeakPolarHBondContact CB-OG1 3.43Å; N29-T130 PolarHBondContact ND2-OG1 3.08Å; T130-I133 HydrophobicContact CG2-CG2 3.73Å; T130-Y226 HydrophobicContact CG2-CD2 4.1Å; T130-Y226 HydrophobicContact CG2-CE2 4.01Å
131E89.9Confident92.7Very high100 Ų10045.9 Ų45.947%0.46723%0.229SC..THydrogen-bonded Turntrans-65.9149.5176.9-67.4163.3-150.200111.8K128 R129 I133 Y226K128-E131 WeakPolarHBondContact CE-OE1 3.37Å; K128-E131 IonicContact NZ-OE1 2.64Å; K128-E131 PolarHBondContact NZ-OE1 3.27Å; R129-E131 PolarHBondContact O-N 2.75Å; E131-I133 VanDerWaalsContact C-N 3.28Å; E131-I133 PolarHBondContact O-N 2.66Å; E131-Y226 WeakPolarHBondContact O-CD2 3.43Å
132G89.2Confident92.2Very high18 Ų1842 Ų4219%0.18621%0.208CC..THydrogen-bonded Turntrans743.7174.600000117.3M224G132-M224 WeakPolarHBondContact CA-O 2.83Å
133I92.4Very high91.6Very high2 Ų235.8 Ų35.81%0.0118%0.175CC..  trans-134.7134.4172.7-169.165.6000112.3H24 F25 R129 T130 E131 L138 L299H24-I133 HydrophobicContact CB-CG1 4.11Å; F25-I133 HydrophobicContact CD1-CG1 4.2Å; F25-I133 HydrophobicContact CD2-CG2 4.21Å; F25-I133 HydrophobicContact CE1-CB 3.93Å; F25-I133 HydrophobicContact CE1-CD1 3.82Å; F25-I133 HydrophobicContact CE1-CG1 3.59Å; F25-I133 HydrophobicContact CE1-CG2 4.26Å; F25-I133 HydrophobicContact CE2-CB 4.07Å; F25-I133 HydrophobicContact CE2-CG1 4.49Å; F25-I133 HydrophobicContact CE2-CG2 3.63Å; F25-I133 HydrophobicContact CZ-CB 3.53Å; F25-I133 HydrophobicContact CZ-CD1 4.25Å; F25-I133 HydrophobicContact CZ-CG1 3.77Å; F25-I133 HydrophobicContact CZ-CG2 3.66Å; R129-I133 PolarHBondContact NH2-O 3.37Å; T130-I133 HydrophobicContact CG2-CG2 3.73Å; E131-I133 VanDerWaalsContact C-N 3.28Å; E131-I133 PolarHBondContact O-N 2.66Å; I133-L138 HydrophobicContact CD1-CD1 4.41Å; I133-L138 HydrophobicContact CD1-CD2 3.69Å; I133-L138 HydrophobicContact CD1-CG 3.85Å; I133-L299 HydrophobicContact CD1-CD2 4.14Å
134S91.4Very high91Very high6 Ų638.8 Ų38.84%0.04219%0.189CC..  trans-162.4162.1174.179.10000109.5H24 R129 T136 A137 L138 S220H24-S134 WeakPolarHBondContact NE2-CA 3.17Å; R129-S134 VanDerWaalsContact NH2-CB 3.27Å; S134-T136 PolarHBondContact O-N 3.09Å; S134-T136 WeakPolarHBondContact OG-CB 3.46Å; S134-T136 PolarHBondContact OG-N 3.02Å; S134-A137 PolarHBondContact O-N 2.69Å; S134-A137 VanDerWaalsContact O-N 3.13Å; S134-A137 WeakPolarHBondContact OG-CB 3.45Å; S134-A137 PolarHBondContact OG-N 2.78Å; S134-L138 WeakPolarHBondContact O-CG 3.12Å; S134-L138 PolarHBondContact O-N 3.08Å; S134-S220 PolarHBondContact OG-O 2.72Å
135T89.2Confident90.4Very high24 Ų2437.7 Ų37.715%0.14719%0.185CC..Hα-helixtrans-52.7-42168-490000111.1D21 L22 H24 L138 V139D21-T135 PolarHBondContact O-OG1 3.3Å; D21-T135 VanDerWaalsContact O-OG1 3.05Å; L22-T135 HydrophobicContact CB-CG2 4.15Å; L22-T135 HydrophobicContact CD1-CG2 3.86Å; L22-T135 HydrophobicContact CG-CG2 4.15Å; H24-T135 PolarHBondContact NE2-N 3.48Å; T135-L138 PolarHBondContact O-N 2.93Å; T135-V139 VanDerWaalsContact O-CG2 3.3Å; T135-V139 WeakPolarHBondContact O-CG2 3.44Å; T135-V139 PolarHBondContact O-N 2.94Å
136T85.8Confident89.7Confident7 Ų733.7 Ų33.74%0.04317%0.168CC..Hα-helixtrans-62.2-45.5176.6-60.20000111.5S134 V139 S140 S220 N394S134-T136 PolarHBondContact O-N 3.09Å; S134-T136 WeakPolarHBondContact OG-CB 3.46Å; S134-T136 PolarHBondContact OG-N 3.02Å; T136-V139 PolarHBondContact O-N 3.02Å; T136-S140 PolarHBondContact O-N 3.47Å; T136-S140 PolarHBondContact O-OG 3.01Å; T136-S140 VanDerWaalsContact O-OG 3.09Å; T136-S220 WeakPolarHBondContact CB-O 3.46Å; T136-S220 WeakPolarHBondContact CG2-O 3.4Å; T136-N394 HydrophobicContact CG2-CB 4.29Å; T136-N394 PolarHBondContact OG1-OD1 3.27Å
137A88.6Confident89.1Confident9 Ų932.3 Ų32.37%0.07416%0.162CC..Hα-helixtrans-65.7-39.6178.600000112S134 S140 R141S134-A137 PolarHBondContact O-N 2.69Å; S134-A137 VanDerWaalsContact O-N 3.13Å; S134-A137 WeakPolarHBondContact OG-CB 3.45Å; S134-A137 PolarHBondContact OG-N 2.78Å; A137-S140 PolarHBondContact O-N 3.11Å; A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 WeakPolarHBondContact O-CD 3.34Å; A137-R141 VanDerWaalsContact O-CG 3.24Å; A137-R141 WeakPolarHBondContact O-CG 3.25Å; A137-R141 PolarHBondContact O-N 2.99Å
138L90.4Very high88.5Confident4 Ų434.2 Ų34.22%0.02117%0.169CC..Hα-helixtrans-62-47.5174.3-74.4-178000111.9L22 H24 I133 S134 T135 S140 R141 M142 L259 L299L22-L138 HydrophobicContact CB-CD1 4.21Å; L22-L138 HydrophobicContact CD1-CB 4.45Å; H24-L138 HydrophobicContact CB-CD1 4.04Å; I133-L138 HydrophobicContact CD1-CD1 4.41Å; I133-L138 HydrophobicContact CD1-CD2 3.69Å; I133-L138 HydrophobicContact CD1-CG 3.85Å; S134-L138 WeakPolarHBondContact O-CG 3.12Å; S134-L138 PolarHBondContact O-N 3.08Å; T135-L138 PolarHBondContact O-N 2.93Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 2.7Å; L138-R141 PolarHBondContact O-N 3.23Å; L138-M142 HydrophobicContact CB-CE 4.03Å; L138-M142 VanDerWaalsContact O-CE 3.27Å; L138-M142 WeakPolarHBondContact O-CE 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.33Å; L138-M142 PolarHBondContact O-N 3.5Å; L138-L259 HydrophobicContact CD1-CD2 4.21Å; L138-L259 HydrophobicContact CD2-CD2 3.81Å; L138-L259 HydrophobicContact CG-CD2 4.44Å; L138-L299 HydrophobicContact CD2-CD2 3.52Å; L138-L299 HydrophobicContact CD2-CG 4.12Å
139V87.5Confident88Confident3 Ų328.7 Ų28.72%0.01815%0.145CC..Hα-helixtrans-59-46.8175.5171.70000110.6L22 T135 T136 R141 M142 L143 I383L22-V139 HydrophobicContact CD1-CG2 4.02Å; T135-V139 VanDerWaalsContact O-CG2 3.3Å; T135-V139 WeakPolarHBondContact O-CG2 3.44Å; T135-V139 PolarHBondContact O-N 2.94Å; T136-V139 PolarHBondContact O-N 3.02Å; V139-R141 PolarHBondContact O-N 3.31Å; V139-M142 HydrophobicContact CG2-CE 4.46Å; V139-M142 PolarHBondContact O-N 3.12Å; V139-L143 HydrophobicContact CG1-CD1 3.88Å; V139-L143 HydrophobicContact CG1-CG 4.3Å; V139-L143 WeakPolarHBondContact O-CG 3.32Å; V139-L143 PolarHBondContact O-N 3.34Å; V139-I383 HydrophobicContact CG1-CG2 4.02Å; V139-I383 HydrophobicContact CG2-CD1 4.31Å; V139-I383 HydrophobicContact CG2-CG2 4.32Å
140S85.9Confident87.7Confident52 Ų5230.4 Ų30.436%0.36416%0.155SC..Hα-helixtrans-60.4-42.1176.9-630000112.7T136 A137 L138 L143 K144T136-S140 PolarHBondContact O-N 3.47Å; T136-S140 PolarHBondContact O-OG 3.01Å; T136-S140 VanDerWaalsContact O-OG 3.09Å; A137-S140 PolarHBondContact O-N 3.11Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 2.7Å; S140-L143 PolarHBondContact O-N 3.02Å; S140-K144 WeakPolarHBondContact O-CB 3.31Å; S140-K144 PolarHBondContact O-N 3.17Å
141R88Confident87.3Confident29 Ų2935.6 Ų35.611%0.10918%0.183CC..Hα-helixtrans-62.5-44.3176.4-73.1163.670.4157.110.2111.9A137 L138 V139 R145 Y197 I298 L299 E303A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 WeakPolarHBondContact O-CD 3.34Å; A137-R141 VanDerWaalsContact O-CG 3.24Å; A137-R141 WeakPolarHBondContact O-CG 3.25Å; A137-R141 PolarHBondContact O-N 2.99Å; L138-R141 PolarHBondContact O-N 3.23Å; V139-R141 PolarHBondContact O-N 3.31Å; R141-R145 WeakPolarHBondContact O-CB 3.35Å; R141-R145 PolarHBondContact O-N 2.89Å; R141-Y197 PolarHBondContact NH1-OH 3.41Å; R141-Y197 PolarHBondContact NH2-OH 3.09Å; R141-I298 HydrophobicContact CB-CG2 3.85Å; R141-I298 VanDerWaalsContact CZ-O 3.23Å; R141-I298 PolarHBondContact NE-O 3Å; R141-I298 VanDerWaalsContact NE-O 3.17Å; R141-I298 PolarHBondContact NH2-O 3.21Å; R141-L299 VanDerWaalsContact NH2-CA 3.31Å; R141-E303 IonicContact CZ-OE1 3.19Å; R141-E303 IonicContact CZ-OE2 2.7Å; R141-E303 IonicContact NH1-OE1 2.97Å; R141-E303 PolarHBondContact NH1-OE1 2.83Å; R141-E303 IonicContact NH1-OE2 3.59Å; R141-E303 PolarHBondContact NH1-OE2 2.84Å; R141-E303 IonicContact NH2-OE1 2.84Å; R141-E303 IonicContact NH2-OE2 3.63Å; R141-E303 PolarHBondContact NH2-OE2 3.19Å
142M88.1Confident87.1Confident1 Ų135 Ų351%0.00518%0.18CC..Hα-helixtrans-60.9-50.7175.9-77-178.8-92.200111.8L22 L138 V139 K144 R145 I146 L259 I298 I380 I383L22-M142 HydrophobicContact CD1-CE 4.02Å; L138-M142 HydrophobicContact CB-CE 4.03Å; L138-M142 VanDerWaalsContact O-CE 3.27Å; L138-M142 WeakPolarHBondContact O-CE 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.33Å; L138-M142 PolarHBondContact O-N 3.5Å; V139-M142 HydrophobicContact CG2-CE 4.46Å; V139-M142 PolarHBondContact O-N 3.12Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-K144 PolarHBondContact O-N 3.24Å; M142-R145 PolarHBondContact O-N 3.09Å; M142-I146 WeakPolarHBondContact O-CD1 3.29Å; M142-I146 VanDerWaalsContact O-CG1 3.28Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 2.82Å; M142-L259 HydrophobicContact CE-CD1 4.09Å; M142-L259 HydrophobicContact CE-CD2 4.2Å; M142-L259 HydrophobicContact CG-CD1 4.07Å; M142-L259 HydrophobicContact SD-CD1 3.46Å; M142-L259 WeakPolarHBondContact SD-CD1 3.37Å; M142-I298 HydrophobicContact CG-CD1 4.01Å; M142-I298 HydrophobicContact CG-CG1 3.88Å; M142-I298 HydrophobicContact CG-CG2 3.98Å; M142-I380 HydrophobicContact CG-CG1 4.43Å; M142-I380 HydrophobicContact SD-CG1 3.8Å; M142-I383 HydrophobicContact CE-CD1 3.26Å; M142-I383 HydrophobicContact SD-CD1 3.48Å; M142-I383 WeakPolarHBondContact SD-CD1 3.36Å
143L85.3Confident86.7Confident26 Ų2637.2 Ų37.214%0.13620%0.203CC..Hα-helixtrans-61.8-42.1-179.6-67.9176.5000111.8V139 S140 R145 I146 Q147 R387V139-L143 HydrophobicContact CG1-CD1 3.88Å; V139-L143 HydrophobicContact CG1-CG 4.3Å; V139-L143 WeakPolarHBondContact O-CG 3.32Å; V139-L143 PolarHBondContact O-N 3.34Å; S140-L143 PolarHBondContact O-N 3.02Å; L143-R145 PolarHBondContact O-N 3.21Å; L143-I146 PolarHBondContact O-N 3.08Å; L143-Q147 PolarHBondContact O-N 2.89Å; L143-R387 HydrophobicContact CD1-CG 4.2Å; L143-R387 HydrophobicContact CD2-CG 4Å
144K85.6Confident85.9Confident119 Ų11938.8 Ų38.852%0.51721%0.213SC..Hα-helixtrans-61.6-42.8174.9-173.5177.4-178.1-179.70111.7S140 M142 Q147 Q148S140-K144 WeakPolarHBondContact O-CB 3.31Å; S140-K144 PolarHBondContact O-N 3.17Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-K144 PolarHBondContact O-N 3.24Å; K144-Q147 PolarHBondContact O-N 2.81Å; K144-Q148 WeakPolarHBondContact O-CG 3.26Å; K144-Q148 PolarHBondContact O-N 3.01Å
145R85.4Confident84.9Confident9 Ų940.8 Ų40.83%0.03422%0.22CC..Hα-helixtrans-65.7-41.2178.4-178.755.6178.4152.52.5112.1R141 M142 L143 Q147 Q148 L149 L193 I196 M295 I298R141-R145 WeakPolarHBondContact O-CB 3.35Å; R141-R145 PolarHBondContact O-N 2.89Å; M142-R145 PolarHBondContact O-N 3.09Å; L143-R145 PolarHBondContact O-N 3.21Å; R145-Q147 VanDerWaalsContact C-N 3.34Å; R145-Q148 PolarHBondContact O-N 3.07Å; R145-L149 HydrophobicContact CG-CD1 4.42Å; R145-L149 WeakPolarHBondContact O-CG 3.35Å; R145-L149 PolarHBondContact O-N 3.46Å; R145-L149 VanDerWaalsContact O-N 3.08Å; R145-L193 VanDerWaalsContact NH2-CD2 3.28Å; R145-I196 HydrophobicContact CB-CD1 4.37Å; R145-I196 HydrophobicContact CG-CD1 4.37Å; R145-M295 HydrophobicContact CB-SD 4.42Å; R145-M295 HydrophobicContact CG-CB 4.45Å; R145-M295 HydrophobicContact CG-CG 4.38Å; R145-M295 HydrophobicContact CG-SD 3.89Å; R145-M295 VanDerWaalsContact CZ-O 3.26Å; R145-M295 PolarHBondContact NE-O 3.23Å; R145-M295 PolarHBondContact NH2-O 3.41Å; R145-I298 HydrophobicContact CB-CD1 3.92Å; R145-I298 HydrophobicContact CG-CD1 4Å
146I85.3Confident83.5Confident7 Ų742.4 Ų42.44%0.03624%0.235CC..Hα-helixtrans-60-46.7175.2-70.1159.1000110.4M142 L143 Q148 L149 Q150 Y155 M295 I380 M384M142-I146 WeakPolarHBondContact O-CD1 3.29Å; M142-I146 VanDerWaalsContact O-CG1 3.28Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 2.82Å; L143-I146 PolarHBondContact O-N 3.08Å; I146-Q148 PolarHBondContact O-N 3.26Å; I146-L149 PolarHBondContact O-N 3.48Å; I146-Q150 HydrophobicContact CG2-CG 4.45Å; I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 3.48Å; I146-Y155 HydrophobicContact CB-CE2 4.44Å; I146-Y155 HydrophobicContact CG1-CE2 4.25Å; I146-Y155 HydrophobicContact CG2-CD2 4.14Å; I146-Y155 HydrophobicContact CG2-CE2 3.73Å; I146-M295 HydrophobicContact CD1-CE 4.43Å; I146-M295 HydrophobicContact CG1-CE 3.67Å; I146-M295 HydrophobicContact CG1-SD 4.26Å; I146-I380 HydrophobicContact CD1-CG2 3.8Å; I146-M384 HydrophobicContact CD1-CG 3.8Å; I146-M384 HydrophobicContact CD1-SD 3.69Å; I146-M384 HydrophobicContact CG1-SD 4.47Å; I146-M384 HydrophobicContact CG2-CE 4.16Å
147Q84.4Confident82.2Confident80 Ų8046 Ų4637%0.37426%0.261SS..Hα-helixtrans-58.2-48.7177.6-173.363.252.900111.2L143 K144 R145 L149 Q150 D151L143-Q147 PolarHBondContact O-N 2.89Å; K144-Q147 PolarHBondContact O-N 2.81Å; R145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.23Å; Q147-Q150 WeakPolarHBondContact O-CB 3.37Å; Q147-Q150 PolarHBondContact O-N 3.37Å; Q147-D151 PolarHBondContact NE2-OD1 3.27Å; Q147-D151 PolarHBondContact O-N 3.35Å
148Q85.1Confident80.5Confident52 Ų5247.2 Ų47.224%0.24327%0.265CS..Hα-helixtrans-56.7-41.2177.6-72.2172.4-19.700112.9K144 R145 I146 D151 Q152K144-Q148 WeakPolarHBondContact O-CG 3.26Å; K144-Q148 PolarHBondContact O-N 3.01Å; R145-Q148 PolarHBondContact O-N 3.07Å; I146-Q148 PolarHBondContact O-N 3.26Å; Q148-D151 PolarHBondContact O-N 2.96Å; Q148-Q152 WeakPolarHBondContact O-CB 3.43Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 3.26Å
149L84.6Confident78.7Confident0 Ų048.7 Ų48.70%027%0.271CS..Hα-helixtrans-70.8-31.2177.8-73.2173.3000113.2R145 I146 Q147 G153 T154 Y155 M295R145-L149 HydrophobicContact CG-CD1 4.42Å; R145-L149 WeakPolarHBondContact O-CG 3.35Å; R145-L149 PolarHBondContact O-N 3.46Å; R145-L149 VanDerWaalsContact O-N 3.08Å; I146-L149 PolarHBondContact O-N 3.48Å; Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.23Å; L149-G153 PolarHBondContact O-N 3.16Å; L149-T154 WeakPolarHBondContact CD2-OG1 3.39Å; L149-T154 PolarHBondContact O-N 3.3Å; L149-T154 PolarHBondContact O-OG1 2.85Å; L149-Y155 HydrophobicContact CB-CD2 4.28Å; L149-Y155 PolarHBondContact O-N 3.44Å; L149-Y155 VanDerWaalsContact O-N 3.11Å; L149-M295 HydrophobicContact CD1-CB 3.35Å
150Q85.3Confident76.4Confident82 Ų8253.2 Ų53.238%0.38330%0.303SS..Hα-helixtrans-68.7-44.5173.2-72.2174.2-19.500110.4I146 Q147 Q152 G153 Y155I146-Q150 HydrophobicContact CG2-CG 4.45Å; I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 3.48Å; Q147-Q150 WeakPolarHBondContact O-CB 3.37Å; Q147-Q150 PolarHBondContact O-N 3.37Å; Q150-Q152 VanDerWaalsContact C-N 3.27Å; Q150-Q152 PolarHBondContact O-N 3.05Å; Q150-G153 PolarHBondContact O-N 3.34Å; Q150-Y155 HydrophobicContact CG-CD1 4.42Å; Q150-Y155 HydrophobicContact CG-CD2 4.22Å; Q150-Y155 HydrophobicContact CG-CG 3.93Å
151D86Confident74.4Confident117 Ų11755.3 Ų55.363%0.62632%0.317SS*.Hα-helixtrans-62.9-34.7177.2-58.1-20.9000111.6Q147 Q148 G153Q147-D151 PolarHBondContact NE2-OD1 3.27Å; Q147-D151 PolarHBondContact O-N 3.35Å; Q148-D151 PolarHBondContact O-N 2.96Å; D151-G153 VanDerWaalsContact C-N 3.32Å
152Q85.4Confident72Confident88 Ų8857.2 Ų57.241%0.41134%0.335SS..THydrogen-bonded Turntrans-79.7-7.6174.8-70.5169.6-7.500113.9Q148 Q150 T154Q148-Q152 WeakPolarHBondContact O-CB 3.43Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 3.26Å; Q150-Q152 VanDerWaalsContact C-N 3.27Å; Q150-Q152 PolarHBondContact O-N 3.05Å; Q152-T154 HydrophobicContact CB-CG2 4.38Å; Q152-T154 PolarHBondContact O-N 3.21Å
153G81.2Confident69.6Low64 Ų6463.3 Ų63.366%0.6637%0.373SS*.THydrogen-bonded Turntrans68.910.1-175.800000115.2L149 Q150 D151L149-G153 PolarHBondContact O-N 3.16Å; Q150-G153 PolarHBondContact O-N 3.34Å; D151-G153 VanDerWaalsContact C-N 3.32Å
154T76.1Confident67.1Low36 Ų3670.7 Ų70.722%0.22141%0.407CS..  trans-98.4-3-175.854.20000113.6L149 Q152 A156 S157L149-T154 WeakPolarHBondContact CD2-OG1 3.39Å; L149-T154 PolarHBondContact O-N 3.3Å; L149-T154 PolarHBondContact O-OG1 2.85Å; Q152-T154 HydrophobicContact CB-CG2 4.38Å; Q152-T154 PolarHBondContact O-N 3.21Å; T154-A156 PolarHBondContact O-N 3.12Å; T154-S157 PolarHBondContact O-N 3.3Å; T154-S157 PolarHBondContact O-OG 2.98Å
155Y68.7Low64.4Low48 Ų4873.3 Ų73.319%0.18841%0.414CS..Hα-helixtrans-58.8-47179.5-176.2-98.4000113.3I146 L149 Q150 S157 Q158 F159 M384I146-Y155 HydrophobicContact CB-CE2 4.44Å; I146-Y155 HydrophobicContact CG1-CE2 4.25Å; I146-Y155 HydrophobicContact CG2-CD2 4.14Å; I146-Y155 HydrophobicContact CG2-CE2 3.73Å; L149-Y155 HydrophobicContact CB-CD2 4.28Å; L149-Y155 PolarHBondContact O-N 3.44Å; L149-Y155 VanDerWaalsContact O-N 3.11Å; Q150-Y155 HydrophobicContact CG-CD1 4.42Å; Q150-Y155 HydrophobicContact CG-CD2 4.22Å; Q150-Y155 HydrophobicContact CG-CG 3.93Å; Y155-S157 VanDerWaalsContact C-N 3.33Å; Y155-S157 PolarHBondContact O-N 3.23Å; Y155-Q158 PolarHBondContact O-N 3.08Å; Y155-F159 HydrophobicContact CD1-CD2 4.47Å; Y155-F159 HydrophobicContact CD2-CD2 4.08Å; Y155-F159 AromaticContact CD2-CE2 3.85Å; Y155-F159 HydrophobicContact CD2-CE2 3.85Å; Y155-F159 HydrophobicContact CE1-CD2 4.04Å; Y155-F159 HydrophobicContact CE1-CE2 4.4Å; Y155-F159 AromaticContact CE2-CD2 3.62Å; Y155-F159 HydrophobicContact CE2-CD2 3.62Å; Y155-F159 AromaticContact CE2-CE2 3.19Å; Y155-F159 HydrophobicContact CE2-CE2 3.19Å; Y155-F159 HydrophobicContact CE2-CZ 4.01Å; Y155-F159 HydrophobicContact CG-CD2 4.47Å; Y155-F159 AromaticContact CZ-CD2 3.57Å; Y155-F159 AromaticContact CZ-CE2 3.5Å; Y155-F159 VanDerWaalsContact CZ-CE2 3.5Å; Y155-M384 VanDerWaalsContact OH-CE 3.29Å; Y155-M384 WeakPolarHBondContact OH-CE 3.49Å; Y155-M384 PolarHBondContact OH-SD 3.48Å
156A60.5Low61.9Low57 Ų5777 Ų7747%0.47144%0.442SS..Hα-helixtrans-69-26.5-17400000113.9T154 Q158T154-A156 PolarHBondContact O-N 3.12Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.3Å
157S58.1Low59.4Low83 Ų8383.5 Ų83.558%0.5848%0.475SS*.Hα-helixtrans-73.2-22.9178.961.20000112.7T154 Y155 S160T154-S157 PolarHBondContact O-N 3.3Å; T154-S157 PolarHBondContact O-OG 2.98Å; Y155-S157 VanDerWaalsContact C-N 3.33Å; Y155-S157 PolarHBondContact O-N 3.23Å; S157-S160 PolarHBondContact O-OG 3.42Å
158Q53.4Low56.9Low34 Ų3489.4 Ų89.416%0.15949%0.494CS..Hα-helixtrans-91.3-25.1-175.6-66.9172.7-1.400113.8Y155 A156 G293Y155-Q158 PolarHBondContact O-N 3.08Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.3Å; Q158-G293 WeakPolarHBondContact O-CA 3.39Å
159F51.9Low54.2Low35 Ų3595.9 Ų95.915%0.15452%0.516CS..SBendtrans-98.94.3-179.3-76.9-86.4000114.3Y155 S161 S162 M295 I380Y155-F159 HydrophobicContact CD1-CD2 4.47Å; Y155-F159 HydrophobicContact CD2-CD2 4.08Å; Y155-F159 AromaticContact CD2-CE2 3.85Å; Y155-F159 HydrophobicContact CD2-CE2 3.85Å; Y155-F159 HydrophobicContact CE1-CD2 4.04Å; Y155-F159 HydrophobicContact CE1-CE2 4.4Å; Y155-F159 AromaticContact CE2-CD2 3.62Å; Y155-F159 HydrophobicContact CE2-CD2 3.62Å; Y155-F159 AromaticContact CE2-CE2 3.19Å; Y155-F159 HydrophobicContact CE2-CE2 3.19Å; Y155-F159 HydrophobicContact CE2-CZ 4.01Å; Y155-F159 HydrophobicContact CG-CD2 4.47Å; Y155-F159 AromaticContact CZ-CD2 3.57Å; Y155-F159 AromaticContact CZ-CE2 3.5Å; Y155-F159 VanDerWaalsContact CZ-CE2 3.5Å; F159-S161 PolarHBondContact O-N 2.89Å; F159-S162 PolarHBondContact O-N 3.13Å; F159-M295 HydrophobicContact CE2-CE 3.59Å; F159-M295 HydrophobicContact CZ-CE 3.41Å; F159-M295 VanDerWaalsContact CZ-CE 3.41Å; F159-I380 HydrophobicContact CZ-CG2 4.24Å
160S40.6Very low51.8Low98 Ų98101.5 Ų101.569%0.68555%0.551SS**THydrogen-bonded Turntrans-71.14.2-174.567.60000115.6S157S157-S160 PolarHBondContact O-OG 3.42Å
161S42.8Very low49.5Very low96 Ų96106.7 Ų106.767%0.67158%0.575SS**THydrogen-bonded Turntrans-95.80.8172.563.40000114.7F159F159-S161 PolarHBondContact O-N 2.89Å
162S37.7Very low47.4Very low70 Ų70105.2 Ų105.249%0.4957%0.574SS.*SBendtrans-94.6111170.1-55.90000109.4F159 E164F159-S162 PolarHBondContact O-N 3.13Å; S162-E164 PolarHBondContact O-N 2.99Å
163T38.4Very low44.8Very low128 Ų128105.3 Ų105.379%0.78558%0.576SS**THydrogen-bonded Turntrans-55.25.9-169.7-47.20000116.9
164E33.4Very low42.7Very low182 Ų182109.8 Ų109.885%0.8559%0.585SS**THydrogen-bonded Turntrans-102.5-5.3-172.6-75.5-171.615300116.5S162S162-E164 PolarHBondContact O-N 2.99Å
165Y28.9Very low40.7Very low173 Ų173112.4 Ų112.468%0.67861%0.605SS**SBendtrans-112.48.1178.2-144-100.7000115.9I167 R168Y165-I167 PolarHBondContact O-N 2.84Å; Y165-R168 HydrophobicContact CE1-CB 4.39Å
166S32Very low39.1Very low87 Ų87115.5 Ų115.561%0.60862%0.624SS**THydrogen-bonded Turntrans-71.6-3.6174.934.90000114.6
167I33.4Very low37.6Very low144 Ų144119.7 Ų119.774%0.73864%0.638SS**THydrogen-bonded Turntrans-85-18.6-177.3-62.7176.1000113.7Y165Y165-I167 PolarHBondContact O-N 2.84Å
168R30.5Very low36.4Very low204 Ų204125.2 Ų125.277%0.7765%0.651SS**SBendtrans-97.11-176.1-75.5-165.4-175.1-159.82.9116.6Y165Y165-R168 HydrophobicContact CE1-CB 4.39Å
169R28.9Very low35.3Very low187 Ų187128.5 Ų128.571%0.70668%0.678SS**SBendtrans-99.32.8-179.3-142.6-177.2-101.2-167.9-4.7115Q171 L173R169-Q171 PolarHBondContact O-N 2.86Å; R169-L173 HydrophobicContact CG-CD1 4.21Å
170T34.1Very low34.1Very low119 Ų119135.8 Ų135.873%0.7371%0.709SS**THydrogen-bonded Turntrans-87.48.2-17937.40000115.9
171Q37.5Very low33.5Very low191 Ų191138.2 Ų138.289%0.89372%0.715SS**THydrogen-bonded Turntrans-126.810.2-178.6-73-174.5-10.300116.8R169R169-Q171 PolarHBondContact O-N 2.86Å
172S41.6Very low32.8Very low85 Ų85142.9 Ų142.959%0.59472%0.723SS**SBendtrans-133.55.9-179.1-174.30000116S175S172-S175 PolarHBondContact O-OG 2.91Å
173L32.2Very low32.2Very low90 Ų90148.3 Ų148.347%0.47174%0.738SS.*SBendtrans-99.2-8.7-177.5-82.8161.8000115.2R169 S175 I176R169-L173 HydrophobicContact CG-CD1 4.21Å; L173-S175 PolarHBondContact O-N 2.83Å; L173-I176 PolarHBondContact O-N 3.22Å
174D36.4Very low31.5Very low158 Ų158151.4 Ų151.485%0.84575%0.746SS**THydrogen-bonded Turntrans-68-18.8174.4-75.1-19.9000113.2
175S34.6Very low31.2Very low92 Ų92150.1 Ų150.164%0.64374%0.74SS**THydrogen-bonded Turntrans-89.6-14.9-179.657.30000114.7S172 L173S172-S175 PolarHBondContact O-OG 2.91Å; L173-S175 PolarHBondContact O-N 2.83Å
176I34.2Very low31Very low112 Ų112147.2 Ų147.257%0.57474%0.742SS**THydrogen-bonded Turntrans-99.5-16.6-173.6-60.8177.9000112.5L173 K178L173-I176 PolarHBondContact O-N 3.22Å; I176-K178 VanDerWaalsContact C-N 3.25Å; I176-K178 PolarHBondContact O-N 3.07Å
177L29.8Very low30.6Very low146 Ų146148.2 Ų148.276%0.76475%0.748SS**THydrogen-bonded Turntrans-8112.2-178.6-78.1164.3000115.4
178K31.8Very low30.2Very low198 Ų198150.6 Ų150.686%0.86175%0.753SS**THydrogen-bonded Turntrans-100.32.8179.3-84.3-171.7179.4178.80116.7I176I176-K178 VanDerWaalsContact C-N 3.25Å; I176-K178 PolarHBondContact O-N 3.07Å
179S30.6Very low30Very low104 Ų104145 Ų14573%0.72774%0.742SS**  trans-11183.9168.559.50000110.4
180K27.3Very low29.9Very low187 Ų187143.4 Ų143.481%0.81375%0.747SS**  trans-63.7146.8153.9-80178.7172.9179.30108.2
181D27.7Very low29.8Very low150 Ų150143.6 Ų143.680%0.80274%0.74SS**SBendtrans85.3120.4172.5-53.2-32000117.2
182K27.5Very low29.5Very low193 Ų193140 Ų14084%0.83973%0.731SS**SBendtrans94.3124.5176-56.4178.2-178178.50114.4
183F25.9Very low29.3Very low185 Ų185139.1 Ų139.181%0.81172%0.719SS**  trans90.951.2-178.8-54.2-76.6000117.7H185F183-H185 PolarHBondContact O-N 3.02Å
184M23.9Very low29.4Very low192 Ų192138.7 Ų138.795%0.94672%0.724SS**  trans-84.585.1140.3-101.8-176.868.600108.1
185H26.3Very low29.3Very low156 Ų156135.7 Ų135.772%0.72271%0.713SS**  trans-111.5124.1156-82.8-58.2000107.6F183 C187F183-H185 PolarHBondContact O-N 3.02Å; H185-C187 PolarHBondContact O-N 2.85Å
186P25.4Very low29.7Very low111 Ų111132.8 Ų132.872%0.72169%0.69SS**  trans-59.9132176.624.7-31.5000108.5K188P186-K188 PolarHBondContact O-N 3.28Å
187C24.2Very low29.8Very low109 Ų109130.9 Ų130.974%0.73668%0.676SS**  trans-52.696.8179.4-166.60000109.8H185 T189H185-C187 PolarHBondContact O-N 2.85Å; C187-T189 PolarHBondContact O-N 3.31Å; C187-T189 VanDerWaalsContact O-N 3.1Å; C187-T189 WeakPolarHBondContact SG-CG2 3.37Å
188K23.4Very low29.6Very low193 Ų193129 Ų12984%0.83967%0.672SS**  trans-78.770.4165.8-71.4-174.5178.3-1790107.7P186 N190P186-K188 PolarHBondContact O-N 3.28Å; K188-N190 PolarHBondContact O-N 2.93Å
189T27.9Very low29.3Very low87 Ų87122.5 Ų122.553%0.53466%0.661SS.*  trans-79.183.3161.747.60000107.8C187 E191C187-T189 PolarHBondContact O-N 3.31Å; C187-T189 VanDerWaalsContact O-N 3.1Å; C187-T189 WeakPolarHBondContact SG-CG2 3.37Å; T189-E191 HydrophobicContact CG2-CG 4.34Å; T189-E191 PolarHBondContact O-N 3.42Å; T189-E191 VanDerWaalsContact O-N 3.11Å
190N26.2Very low29.1Very low154 Ų154125.9 Ų125.982%0.82467%0.671SS**  trans-70.726.4150.9-91.3-5.6000110.8K188 T192K188-N190 PolarHBondContact O-N 2.93Å; N190-T192 PolarHBondContact O-N 2.96Å
191E31.6Very low28.8Very low123 Ų123123.7 Ų123.758%0.57567%0.668SS**  trans-76.777.2172.6-67-172.8-177.100108T189 L193T189-E191 HydrophobicContact CG2-CG 4.34Å; T189-E191 PolarHBondContact O-N 3.42Å; T189-E191 VanDerWaalsContact O-N 3.11Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.28Å
192T31.2Very low28.7Very low116 Ų116121.8 Ų121.871%0.71267%0.666SS**  trans-57.2106.8154.3-47.70000104.9N190 S194N190-T192 PolarHBondContact O-N 2.96Å; T192-S194 PolarHBondContact O-N 3.49Å
193L38.3Very low28.5Very low66 Ų66119.2 Ų119.235%0.34666%0.662SS.*  trans-49.8111.9172.7-75.1171.1000107.2R145 E191R145-L193 VanDerWaalsContact NH2-CD2 3.28Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 3.28Å
194S32.8Very low28.5Very low80 Ų80116.7 Ų116.756%0.55967%0.666SS**  trans-57.6135.4176.345.70000108.2T192 I196T192-S194 PolarHBondContact O-N 3.49Å; S194-I196 PolarHBondContact O-N 2.93Å
195P35.5Very low28.6Very low96 Ų96112.8 Ų112.862%0.62366%0.657SS**  trans-53.7141.4173-22.231.1000109.3Y197P195-Y197 CarbonylContact O-C 3.38Å; P195-Y197 PolarHBondContact O-N 3.4Å
196I42.8Very low28.6Very low30 Ų30115 Ų11515%0.15467%0.665CS.*SBendtrans-54.2-21.3173.8-61.7172.9000110.9R145 S194 P198R145-I196 HydrophobicContact CB-CD1 4.37Å; R145-I196 HydrophobicContact CG-CD1 4.37Å; S194-I196 PolarHBondContact O-N 2.93Å; I196-P198 WeakPolarHBondContact O-CD 3.49Å
197Y35.5Very low28.7Very low73 Ų73116.9 Ų116.929%0.28667%0.668SS.*SBendtrans-93.294.2170.1-56.6-90.5000110.5R141 P195 G199 T225 T300 E303R141-Y197 PolarHBondContact NH1-OH 3.41Å; R141-Y197 PolarHBondContact NH2-OH 3.09Å; P195-Y197 CarbonylContact O-C 3.38Å; P195-Y197 PolarHBondContact O-N 3.4Å; Y197-G199 PolarHBondContact O-N 3.37Å; Y197-T225 HydrophobicContact CD1-CG2 4.06Å; Y197-T225 HydrophobicContact CE1-CG2 3.87Å; Y197-T300 HydrophobicContact CD2-CG2 3.8Å; Y197-T300 HydrophobicContact CE2-CG2 3.12Å; Y197-E303 PolarHBondContact OH-OE2 2.89Å; Y197-E303 VanDerWaalsContact OH-OE2 3.14Å
198P27Very low28.7Very low105 Ų105119.5 Ų119.568%0.68268%0.675SS**  trans-60.4122.3153.226.2-28.4000106.2I196 L200I196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-L200 PolarHBondContact O-N 3.46Å
199G25.6Very low29Very low62 Ų62118 Ų11864%0.63968%0.676SS**  trans-50.5142.7162.700000107.9Y197 N201Y197-G199 PolarHBondContact O-N 3.37Å; G199-N201 PolarHBondContact O-N 3.21Å
200L25Very low28.9Very low176 Ų176120 Ų12092%0.92169%0.689SS**  trans-56.290.1171.7-90.184.5000108.1P198P198-L200 PolarHBondContact O-N 3.46Å
201N22.5Very low29Very low141 Ų141117.1 Ų117.175%0.75469%0.686SS**  trans-94.799.5161.6-134.94.8000104.2G199 N203G199-N201 PolarHBondContact O-N 3.21Å; N201-N203 PolarHBondContact O-N 3.31Å
202S24.9Very low28.8Very low109 Ų109118.1 Ų118.176%0.76270%0.695SS**  trans-65.476.1173.655.20000109.2
203N22.2Very low28.8Very low140 Ų140117 Ų11775%0.74969%0.692SS**  trans-140.365.1166.5-85.2-18.4000107.7N201 S205N201-N203 PolarHBondContact O-N 3.31Å; N203-S205 PolarHBondContact O-N 2.75Å
204C26.7Very low28.7Very low132 Ų132120.5 Ų120.589%0.89271%0.71SS**  trans-84.6103.5158.2-82.30000107.3
205S25.7Very low29.1Very low110 Ų110122.7 Ų122.777%0.76972%0.715SS**  trans-53.4137.6160.2-62.20000109.4N203 D207N203-S205 PolarHBondContact O-N 2.75Å; S205-D207 PolarHBondContact O-N 3.21Å; S205-D207 VanDerWaalsContact O-N 3.12Å
206K26.5Very low29.8Very low202 Ų202120.6 Ų120.688%0.87870%0.701SS**  trans-67.6100.1179.7-67.1175.4175.9178.20109.7
207D27Very low30.1Very low150 Ų150119.7 Ų119.780%0.80270%0.697SS**  trans-130.9129.2154.7-79.8-44.2000108.6S205 D209S205-D207 PolarHBondContact O-N 3.21Å; S205-D207 VanDerWaalsContact O-N 3.12Å; D207-D209 PolarHBondContact O-N 3.46Å
208N25.4Very low31Very low164 Ų164123.1 Ų123.188%0.87772%0.719SS**  trans-69.1103.3-172.6-68.6-45.6000110.4
209D28.1Very low32.2Very low161 Ų161122.3 Ų122.386%0.86170%0.702SS**  trans-128.7127.2155.7-83.3-39.7000109.8D207D207-D209 PolarHBondContact O-N 3.46Å
210V26.9Very low33.6Very low131 Ų131119.4 Ų119.479%0.79467%0.672SS**  trans-28.7133.5-176.1-176.30000114.4D212V210-D212 PolarHBondContact O-N 2.94Å
211A27.8Very low34.7Very low93 Ų93113.2 Ų113.277%0.76964%0.641SS**  trans-59.371.2172.300000113.1S213A211-S213 PolarHBondContact O-N 2.72Å
212D28.1Very low35.9Very low143 Ų143108.5 Ų108.577%0.76563%0.626SS**  trans-80.878.9152-100.3-8.1000106.4V210 I214V210-D212 PolarHBondContact O-N 2.94Å; D212-I214 PolarHBondContact O-N 3Å
213S31.6Very low37.3Very low94 Ų94106.2 Ų106.266%0.65762%0.62SS**  trans-57.692.9155.9480000106.1A211 N215A211-S213 PolarHBondContact O-N 2.72Å; S213-N215 PolarHBondContact O-N 2.76Å
214I34.8Very low39.3Very low139 Ų139104.9 Ų104.971%0.71361%0.61SS**  trans-48.5115176.9-60.2176.1000105.6D212 V216D212-I214 PolarHBondContact O-N 3Å; I214-V216 HydrophobicContact CB-CG2 4.03Å; I214-V216 HydrophobicContact CG2-CG2 3.59Å; I214-V216 WeakPolarHBondContact O-CG2 3.28Å; I214-V216 PolarHBondContact O-N 3.5Å
215N42.1Very low41.7Very low126 Ų126102.4 Ų102.467%0.67459%0.592SS**  trans-64.479178.8-83.1-48.3000108.4S213 M402S213-N215 PolarHBondContact O-N 2.76Å; N215-M402 HydrophobicContact CB-CE 3.59Å; N215-M402 VanDerWaalsContact O-CE 3.26Å; N215-M402 WeakPolarHBondContact O-CE 3.41Å
216V50.1Low44.6Very low52 Ų5298.2 Ų98.232%0.31556%0.559SS.*  trans-91.5118.2-175.1173.60000108.3I214 I218 T221I214-V216 HydrophobicContact CB-CG2 4.03Å; I214-V216 HydrophobicContact CG2-CG2 3.59Å; I214-V216 WeakPolarHBondContact O-CG2 3.28Å; I214-V216 PolarHBondContact O-N 3.5Å; V216-I218 PolarHBondContact O-N 2.82Å; V216-T221 HydrophobicContact CG1-CG2 4.32Å
217S48.7Very low47.4Very low10 Ų1095.1 Ų95.17%0.0755%0.549CS..  trans-57.5128166152.90000110.3W219 S220 T221 E401S217-W219 PolarHBondContact O-N 3.18Å; S217-W219 PolarHBondContact OG-N 2.72Å; S217-W219 VanDerWaalsContact OG-N 3.07Å; S217-S220 VanDerWaalsContact CB-OG 3.25Å; S217-S220 WeakPolarHBondContact CB-OG 3.47Å; S217-S220 PolarHBondContact OG-N 3.46Å; S217-S220 PolarHBondContact OG-OG 2.81Å; S217-S220 VanDerWaalsContact OG-OG 3.12Å; S217-T221 PolarHBondContact O-N 3Å; S217-E401 WeakPolarHBondContact CB-OE2 3.46Å; S217-E401 PolarHBondContact OG-OE2 3.38Å
218I55.1Low50.3Low146 Ų14691 Ų9175%0.74953%0.53SS*.THydrogen-bonded Turntrans-57.2-29.8173.4-63.8170000110.7V216V216-I218 PolarHBondContact O-N 2.82Å
219W51.4Low53.4Low87 Ų8786.3 Ų86.333%0.3351%0.505SS..THydrogen-bonded Turntrans-89.5-40.9-174.4-55.3117.1000113.7R129 S217R129-W219 PolarHBondContact NE-O 2.85Å; R129-W219 PolarHBondContact NH2-O 3.49Å; S217-W219 PolarHBondContact O-N 3.18Å; S217-W219 PolarHBondContact OG-N 2.72Å; S217-W219 VanDerWaalsContact OG-N 3.07Å
220S54.9Low56.5Low2 Ų285.1 Ų85.11%0.01450%0.498CS..THydrogen-bonded Turntrans-107.6-39.4-166.6720000114.8S134 T136 S217 V398S134-S220 PolarHBondContact OG-O 2.72Å; T136-S220 WeakPolarHBondContact CB-O 3.46Å; T136-S220 WeakPolarHBondContact CG2-O 3.4Å; S217-S220 VanDerWaalsContact CB-OG 3.25Å; S217-S220 WeakPolarHBondContact CB-OG 3.47Å; S217-S220 PolarHBondContact OG-N 3.46Å; S217-S220 PolarHBondContact OG-OG 2.81Å; S217-S220 VanDerWaalsContact OG-OG 3.12Å; S220-V398 WeakPolarHBondContact OG-CG2 3.33Å
221T48.8Very low59.8Low45 Ų4584 Ų8428%0.27649%0.487SS..SBendtrans-105.516.7-158-50.60000114V216 S217 G223 V398V216-T221 HydrophobicContact CG1-CG2 4.32Å; S217-T221 PolarHBondContact O-N 3Å; T221-G223 PolarHBondContact O-N 2.99Å; T221-V398 VanDerWaalsContact OG1-CG2 3.31Å; T221-V398 WeakPolarHBondContact OG1-CG2 3.43Å
222G46.9Very low63Low42 Ų4281.9 Ų81.943%0.43346%0.459SS..  trans71.83416100000114.6M224G222-M224 PolarHBondContact O-N 2.72Å
223G55.4Low66.3Low61 Ų6176.5 Ų76.563%0.62943%0.43SS*.SBendtrans-61.1-19.5168.700000112.8T221T221-G223 PolarHBondContact O-N 2.99Å
224M64.1Low69.3Low112 Ų11275.6 Ų75.655%0.55242%0.423SS*.SBendtrans-117.5133.1175.2-54.1-152.784.600110.4G132 G222G132-M224 WeakPolarHBondContact CA-O 2.83Å; G222-M224 PolarHBondContact O-N 2.72Å
225T76.7Confident72.2Confident81 Ų8171.2 Ų71.250%0.49740%0.4SS..  trans-76.9138.7166.748.50000108.9Y197 M227Y197-T225 HydrophobicContact CD1-CG2 4.06Å; Y197-T225 HydrophobicContact CE1-CG2 3.87Å; T225-M227 PolarHBondContact O-N 3.36Å
226Y85.4Confident74.8Confident21 Ų2165.2 Ų65.28%0.08237%0.368CS..  trans-61.5127.3171.3174.8-107.9000109F25 T130 E131 P228 R232 E303 L306F25-Y226 AromaticContact CE2-CD1 3.83Å; F25-Y226 HydrophobicContact CE2-CD1 3.83Å; F25-Y226 AromaticContact CE2-CD2 3.8Å; F25-Y226 HydrophobicContact CE2-CD2 3.8Å; F25-Y226 AromaticContact CE2-CE1 3.85Å; F25-Y226 HydrophobicContact CE2-CE1 3.85Å; F25-Y226 AromaticContact CE2-CE2 3.84Å; F25-Y226 HydrophobicContact CE2-CE2 3.84Å; F25-Y226 AromaticContact CE2-CG 3.8Å; F25-Y226 HydrophobicContact CE2-CG 3.8Å; F25-Y226 AromaticContact CE2-CZ 3.87Å; F25-Y226 AromaticContact CZ-CD1 3.69Å; F25-Y226 HydrophobicContact CZ-CD1 3.69Å; F25-Y226 HydrophobicContact CZ-CD2 4.19Å; F25-Y226 HydrophobicContact CZ-CE1 4.12Å; F25-Y226 AromaticContact CZ-CG 3.72Å; F25-Y226 HydrophobicContact CZ-CG 3.72Å; T130-Y226 HydrophobicContact CG2-CD2 4.1Å; T130-Y226 HydrophobicContact CG2-CE2 4.01Å; E131-Y226 WeakPolarHBondContact O-CD2 3.43Å; Y226-P228 HydrophobicContact CD1-CG 4.19Å; Y226-P228 HydrophobicContact CE1-CB 4.18Å; Y226-P228 HydrophobicContact CE1-CG 4.09Å; Y226-P228 WeakPolarHBondContact O-CD 3.46Å; Y226-R232 WeakPolarHBondContact OH-CG 3.34Å; Y226-E303 HydrophobicContact CD1-CG 3.87Å; Y226-L306 HydrophobicContact CE1-CD1 3.81Å; Y226-L306 WeakPolarHBondContact OH-CD1 3.27Å
227M87.2Confident77Confident137 Ų13765 Ų6568%0.67537%0.368SS*.  trans-97.5106.9174.8-66.3-173.7176.600109.5T225 N229T225-M227 PolarHBondContact O-N 3.36Å; M227-N229 PolarHBondContact O-N 3.24Å; M227-N229 PolarHBondContact O-ND2 2.82Å
228P86.2Confident78.9Confident63 Ų6367.7 Ų67.741%0.40939%0.387SS..  trans-60.1134.8176.2-21.133.7000110.9Y226 Q302Y226-P228 HydrophobicContact CD1-CG 4.19Å; Y226-P228 HydrophobicContact CE1-CB 4.18Å; Y226-P228 HydrophobicContact CE1-CG 4.09Å; Y226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-Q302 HydrophobicContact CB-CB 3.62Å; P228-Q302 HydrophobicContact CB-CG 3.89Å; P228-Q302 HydrophobicContact CG-CB 3.64Å; P228-Q302 HydrophobicContact CG-CG 4.02Å
229N91.4Very high79.9Confident66 Ų6665.1 Ų65.135%0.35340%0.397SS..  trans-140150176.561.380.4000110.8M227 L231 R232 I233M227-N229 PolarHBondContact O-N 3.24Å; M227-N229 PolarHBondContact O-ND2 2.82Å; N229-L231 PolarHBondContact O-N 2.8Å; N229-L231 PolarHBondContact OD1-N 3.2Å; N229-R232 PolarHBondContact O-N 3.21Å; N229-R232 PolarHBondContact OD1-N 2.85Å; N229-I233 PolarHBondContact O-N 3.1Å
230I93.6Very high81.1Confident136 Ų13663.6 Ų63.670%0.69739%0.393SS*.Hα-helixtrans-62-31.8-176-168.359.8000112.5R232 I233 S234I230-R232 PolarHBondContact O-N 3.46Å; I230-I233 PolarHBondContact O-N 2.62Å; I230-S234 WeakPolarHBondContact O-CB 3.29Å; I230-S234 PolarHBondContact O-N 2.95Å
231L95.3Very high82.6Confident108 Ų10866 Ų6657%0.56540%0.403SS*.Hα-helixtrans-62.4-43.8178.1179.862.7000111.2N229 S234 Q235N229-L231 PolarHBondContact O-N 2.8Å; N229-L231 PolarHBondContact OD1-N 3.2Å; L231-S234 PolarHBondContact O-N 3.07Å; L231-Q235 VanDerWaalsContact O-CG 3.28Å; L231-Q235 WeakPolarHBondContact O-CG 3.44Å; L231-Q235 PolarHBondContact O-N 3.41Å
232R95.9Very high84.6Confident49 Ų4968.7 Ų68.719%0.18541%0.408CS..Hα-helixtrans-65.7-41.8176.8-170.364.860.5-168.2-4.7111.7N29 Y226 N229 I230 Q235 F236 L306N29-R232 PolarHBondContact ND2-NH1 2.88Å; N29-R232 PolarHBondContact OD1-NH1 3.04Å; Y226-R232 WeakPolarHBondContact OH-CG 3.34Å; N229-R232 PolarHBondContact O-N 3.21Å; N229-R232 PolarHBondContact OD1-N 2.85Å; I230-R232 PolarHBondContact O-N 3.46Å; R232-Q235 PolarHBondContact O-N 2.96Å; R232-F236 HydrophobicContact CG-CD2 4.22Å; R232-F236 HydrophobicContact CG-CE2 4.23Å; R232-F236 WeakPolarHBondContact O-CD2 3.41Å; R232-F236 PolarHBondContact O-N 3.38Å; R232-L306 HydrophobicContact CG-CD1 4.04Å; R232-L306 HydrophobicContact CG-CD2 4.06Å
233I95.7Very high86.8Confident29 Ų2972.3 Ų72.315%0.14941%0.414CS..Hα-helixtrans-60.1-48.7176.5-63.9171.3000109.5N229 I230 Q235 F236 C237 L305 L306 L309N229-I233 PolarHBondContact O-N 3.1Å; I230-I233 PolarHBondContact O-N 2.62Å; I233-Q235 VanDerWaalsContact C-N 3.35Å; I233-Q235 PolarHBondContact O-N 3.16Å; I233-F236 CarbonylContact O-C 3.48Å; I233-F236 WeakPolarHBondContact O-CA 3.11Å; I233-F236 WeakPolarHBondContact O-CB 3.43Å; I233-F236 PolarHBondContact O-N 2.98Å; I233-C237 PolarHBondContact O-N 3.45Å; I233-C237 PolarHBondContact O-SG 3.06Å; I233-L305 HydrophobicContact CD1-CD2 4.24Å; I233-L305 HydrophobicContact CG1-CD2 4.46Å; I233-L305 HydrophobicContact CG2-CD2 4.39Å; I233-L306 HydrophobicContact CG1-CD2 4.16Å; I233-L309 HydrophobicContact CG2-CD1 4.42Å
234S95.9Very high88.7Confident75 Ų7571 Ų7152%0.52439%0.394SS..Hα-helixtrans-57.6-43.7177.2178.40000112.8I230 L231 F236 C237 S238I230-S234 WeakPolarHBondContact O-CB 3.29Å; I230-S234 PolarHBondContact O-N 2.95Å; L231-S234 PolarHBondContact O-N 3.07Å; S234-F236 PolarHBondContact O-N 2.84Å; S234-C237 CarbonylContact O-C 3.55Å; S234-C237 PolarHBondContact O-N 2.89Å; S234-S238 PolarHBondContact O-N 3.34Å; S234-S238 VanDerWaalsContact O-N 3.11Å
235Q96.1Very high90.1Very high47 Ų4770.2 Ų70.222%0.2239%0.393CS..Hα-helixtrans-62.1-30.9174.1-73.1170.8-4.800113.3R32 L231 R232 I233 S238R32-Q235 WeakPolarHBondContact CD-O 3.42Å; L231-Q235 VanDerWaalsContact O-CG 3.28Å; L231-Q235 WeakPolarHBondContact O-CG 3.44Å; L231-Q235 PolarHBondContact O-N 3.41Å; R232-Q235 PolarHBondContact O-N 2.96Å; I233-Q235 VanDerWaalsContact C-N 3.35Å; I233-Q235 PolarHBondContact O-N 3.16Å; Q235-S238 PolarHBondContact O-OG 3.43Å
236F96.6Very high90.9Very high0 Ų071.6 Ų71.60%041%0.405CS..Hα-helixtrans-83.3-16.8174-86.9-122.8000112.4F25 A28 N29 K73 W74 R232 I233 S234 L306 L309 A310F25-F236 HydrophobicContact CB-CE1 4.27Å; F25-F236 HydrophobicContact CB-CZ 4.45Å; A28-F236 HydrophobicContact CB-CE1 3.91Å; A28-F236 HydrophobicContact CB-CZ 4.01Å; N29-F236 HydrophobicContact CB-CE2 3.83Å; N29-F236 HydrophobicContact CB-CZ 3.81Å; K73-F236 WeakPolarHBondContact CE-O 3.36Å; K73-F236 PolarHBondContact NZ-O 3.28Å; W74-F236 AromaticContact CH2-CD1 3.73Å; W74-F236 HydrophobicContact CH2-CD1 3.73Å; W74-F236 HydrophobicContact CH2-CD2 4.1Å; W74-F236 AromaticContact CH2-CE1 3.87Å; W74-F236 HydrophobicContact CH2-CE1 3.87Å; W74-F236 HydrophobicContact CH2-CE2 4.21Å; W74-F236 AromaticContact CH2-CG 3.86Å; W74-F236 HydrophobicContact CH2-CG 3.86Å; W74-F236 HydrophobicContact CH2-CZ 4.1Å; W74-F236 HydrophobicContact CZ2-CG 4.5Å; W74-F236 HydrophobicContact CZ3-CD1 4.42Å; W74-F236 HydrophobicContact CZ3-CE1 4.2Å; W74-F236 HydrophobicContact CZ3-CZ 4.45Å; R232-F236 HydrophobicContact CG-CD2 4.22Å; R232-F236 HydrophobicContact CG-CE2 4.23Å; R232-F236 WeakPolarHBondContact O-CD2 3.41Å; R232-F236 PolarHBondContact O-N 3.38Å; I233-F236 CarbonylContact O-C 3.48Å; I233-F236 WeakPolarHBondContact O-CA 3.11Å; I233-F236 WeakPolarHBondContact O-CB 3.43Å; I233-F236 PolarHBondContact O-N 2.98Å; S234-F236 PolarHBondContact O-N 2.84Å; F236-L306 HydrophobicContact CB-CD2 3.96Å; F236-L306 HydrophobicContact CD1-CB 4.06Å; F236-L306 HydrophobicContact CD1-CD2 3.91Å; F236-L306 WeakPolarHBondContact CD1-O 3.39Å; F236-L306 HydrophobicContact CD2-CD2 4.13Å; F236-L306 HydrophobicContact CE1-CB 4.05Å; F236-L306 HydrophobicContact CE1-CD2 4.44Å; F236-L306 VanDerWaalsContact CE1-O 3.23Å; F236-L306 WeakPolarHBondContact CE1-O 3.48Å; F236-L306 HydrophobicContact CG-CD2 3.73Å; F236-L309 HydrophobicContact CB-CB 4.12Å; F236-L309 HydrophobicContact CB-CD1 4.05Å; F236-L309 HydrophobicContact CD1-CB 4.28Å; F236-A310 HydrophobicContact CD1-CB 4.41Å; F236-A310 HydrophobicContact CE1-CB 4.1Å
237C95.1Very high91.4Very high47 Ų4777.3 Ų77.332%0.31844%0.438SS..Hα-helixtrans-92-6.6174.8-65.90000113.6I233 S234 G239 F241I233-C237 PolarHBondContact O-N 3.45Å; I233-C237 PolarHBondContact O-SG 3.06Å; S234-C237 CarbonylContact O-C 3.55Å; S234-C237 PolarHBondContact O-N 2.89Å; C237-G239 PolarHBondContact O-N 3.25Å; C237-F241 HydrophobicContact CB-CD2 4.15Å; C237-F241 VanDerWaalsContact O-CD2 3.3Å; C237-F241 WeakPolarHBondContact O-CD2 3.3Å
238S89.8Confident91.9Very high68 Ų6871.3 Ų71.348%0.47641%0.408SS..THydrogen-bonded Turntrans-65.2139.1-17766.50000112.7S234 Q235 Q240S234-S238 PolarHBondContact O-N 3.34Å; S234-S238 VanDerWaalsContact O-N 3.11Å; Q235-S238 PolarHBondContact O-OG 3.43Å; S238-Q240 PolarHBondContact O-N 3.03Å
239G75.6Confident92.4Very high92 Ų9271.8 Ų71.895%0.94841%0.406SS*.THydrogen-bonded Turntrans73.89.3161.900000118.2C237C237-G239 PolarHBondContact O-N 3.25Å
240Q76Confident92.8Very high55 Ų5568.7 Ų68.726%0.25739%0.39SS..THydrogen-bonded Turntrans-139.3-29.6-175-168.2-174-2.200114.9K73 S238 R312 V314K73-Q240 VanDerWaalsContact NZ-OE1 3.08Å; S238-Q240 PolarHBondContact O-N 3.03Å; Q240-R312 VanDerWaalsContact NE2-C 3.33Å; Q240-R312 PolarHBondContact NE2-O 2.94Å; Q240-V314 PolarHBondContact NE2-O 2.85Å; Q240-V314 VanDerWaalsContact NE2-O 3.12Å
241F87.5Confident93Very high51 Ų5162.2 Ų62.222%0.22436%0.357CS..  trans-89.4131-169.9-66.3-86.8000111.3C237 L309 V314 S315C237-F241 HydrophobicContact CB-CD2 4.15Å; C237-F241 VanDerWaalsContact O-CD2 3.3Å; C237-F241 WeakPolarHBondContact O-CD2 3.3Å; F241-L309 HydrophobicContact CE1-CD2 3.62Å; F241-L309 HydrophobicContact CE2-CD2 3.83Å; F241-L309 HydrophobicContact CZ-CB 4.32Å; F241-L309 HydrophobicContact CZ-CD2 3.2Å; F241-L309 HydrophobicContact CZ-CG 4.34Å; F241-V314 HydrophobicContact CE1-CG1 4.47Å; F241-S315 WeakPolarHBondContact CD1-O 3.21Å
242R91Very high93.2Very high102 Ų10257 Ų5739%0.38533%0.33SS..  trans-146.716017861.8171.9-175.180.2-4109.4D248 Y277R242-D248 IonicContact CZ-OD2 2.64Å; R242-D248 IonicContact NH1-OD2 2.68Å; R242-D248 PolarHBondContact NH1-OD2 2.95Å; R242-D248 VanDerWaalsContact NH2-CG 3.28Å; R242-D248 IonicContact NH2-OD1 2.64Å; R242-D248 PolarHBondContact NH2-OD1 3.39Å; R242-D248 IonicContact NH2-OD2 3.71Å; R242-D248 PolarHBondContact NH2-OD2 3.45Å; R242-Y277 HydrophobicContact CG-CE2 4.47Å; R242-Y277 WeakPolarHBondContact O-CE2 3.2Å; R242-Y277 PolarHBondContact O-OH 2.98Å
243E92.8Very high93.3Very high119 Ų11954.7 Ų54.756%0.55632%0.321SS*.PPolyproline II helixtrans-66.6155166.4-68.1-58.7155.500111.2
244P94.2Very high93.4Very high32 Ų3253.4 Ų53.421%0.20831%0.314CS..PPolyproline II helixtrans-61.9137.3171-13.826.4000111.2D248 V250 Y277P244-D248 WeakPolarHBondContact CA-OD2 3.44Å; P244-D248 HydrophobicContact CB-CB 4.41Å; P244-V250 HydrophobicContact CB-CG2 3.63Å; P244-V250 HydrophobicContact CG-CG2 3.93Å; P244-Y277 HydrophobicContact CB-CD2 4.3Å; P244-Y277 HydrophobicContact CB-CE1 4.48Å; P244-Y277 HydrophobicContact CB-CE2 4.19Å; P244-Y277 HydrophobicContact CB-CG 4.5Å; P244-Y277 WeakPolarHBondContact CD-OH 3.31Å; P244-Y277 HydrophobicContact CG-CD1 4.24Å; P244-Y277 HydrophobicContact CG-CD2 4.48Å; P244-Y277 HydrophobicContact CG-CE1 3.74Å; P244-Y277 HydrophobicContact CG-CE2 4.01Å
245N93.7Very high93.3Very high97 Ų9750 Ų5052%0.51929%0.291SS..PPolyproline II helixtrans-86.7164.9170-64.5-23.1000109.5N247 D248N245-N247 PolarHBondContact O-N 3.44Å; N245-D248 PolarHBondContact N-OD2 2.85Å; N245-D248 WeakPolarHBondContact O-CB 3.44Å; N245-D248 PolarHBondContact O-N 3.18Å
246S93.4Very high93.2Very high109 Ų10947.7 Ų47.776%0.76228%0.28SS*.THydrogen-bonded Turntrans-57.6-25178.962.50000114.7
247N95.4Very high93.1Very high142 Ų14248 Ų4876%0.75928%0.281SS*.THydrogen-bonded Turntrans-94.2-4.4-178.3-61.9-13.6000112.9N245N245-N247 PolarHBondContact O-N 3.44Å
248D97.6Very high93.1Very high10 Ų1045.8 Ų45.85%0.05327%0.267CS..  trans-76.1137.7177.8-71.3-38.7000110.9R242 P244 N245 V250 N276R242-D248 IonicContact CZ-OD2 2.64Å; R242-D248 IonicContact NH1-OD2 2.68Å; R242-D248 PolarHBondContact NH1-OD2 2.95Å; R242-D248 VanDerWaalsContact NH2-CG 3.28Å; R242-D248 IonicContact NH2-OD1 2.64Å; R242-D248 PolarHBondContact NH2-OD1 3.39Å; R242-D248 IonicContact NH2-OD2 3.71Å; R242-D248 PolarHBondContact NH2-OD2 3.45Å; P244-D248 WeakPolarHBondContact CA-OD2 3.44Å; P244-D248 HydrophobicContact CB-CB 4.41Å; N245-D248 PolarHBondContact N-OD2 2.85Å; N245-D248 WeakPolarHBondContact O-CB 3.44Å; N245-D248 PolarHBondContact O-N 3.18Å; D248-V250 HydrophobicContact CB-CG2 4.41Å; D248-N276 WeakPolarHBondContact CA-OD1 3.42Å; D248-N276 PolarHBondContact OD1-ND2 3.49Å
249I98.5Very high93.3Very high73 Ų7343 Ų4337%0.37425%0.246SC..  trans-92.4101.9165.7-56.4174.8000106.8V251 L274 G275 N276 Y277 N336 Y337I249-V251 PolarHBondContact O-N 3.47Å; I249-L274 WeakPolarHBondContact CG2-O 3.3Å; I249-G275 CarbonylContact O-C 3.56Å; I249-G275 WeakPolarHBondContact O-CA 3.38Å; I249-N276 PolarHBondContact N-OD1 3.45Å; I249-N276 PolarHBondContact O-N 3.35Å; I249-Y277 PolarHBondContact O-N 3.31Å; I249-N336 WeakPolarHBondContact CA-OD1 3.48Å; I249-N336 HydrophobicContact CG2-CB 3.85Å; I249-Y337 HydrophobicContact CG2-CD2 4.02Å; I249-Y337 HydrophobicContact CG2-CE2 3.89Å
250V98.6Very high94.3Very high1 Ų138.9 Ų38.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-80.6116.7-176.7-179.10000109.9P244 D248 Y277 L279 V335 N336 Y337P244-V250 HydrophobicContact CB-CG2 3.63Å; P244-V250 HydrophobicContact CG-CG2 3.93Å; D248-V250 HydrophobicContact CB-CG2 4.41Å; V250-Y277 HydrophobicContact CB-CD1 4.49Å; V250-Y277 HydrophobicContact CG1-CD1 4.07Å; V250-Y277 HydrophobicContact CG2-CD1 4.14Å; V250-Y277 HydrophobicContact CG2-CG 4.4Å; V250-L279 HydrophobicContact CG1-CB 4.26Å; V250-L279 HydrophobicContact CG1-CD2 4.45Å; V250-V335 HydrophobicContact CG1-CG2 4.19Å; V250-N336 PolarHBondContact N-OD1 3.37Å; V250-N336 PolarHBondContact O-N 3.08Å; V250-Y337 PolarHBondContact O-N 3.49Å
251V98.8Very high95.2Very high0 Ų036.5 Ų36.50%019%0.191CC..EExtended strand (participates in β ladder)trans-105.7110173.4-171.90000108.1I249 V253 C271 L274 Y277 L278 L279 Y337 A339I249-V251 PolarHBondContact O-N 3.47Å; V251-V253 HydrophobicContact CG1-CG2 4.05Å; V251-C271 HydrophobicContact CG1-CB 4.32Å; V251-L274 HydrophobicContact CG1-CD1 4.23Å; V251-L274 HydrophobicContact CG2-CB 3.84Å; V251-Y277 PolarHBondContact N-O 3.11Å; V251-L278 HydrophobicContact CB-CD2 3.74Å; V251-L278 HydrophobicContact CG1-CD2 4.29Å; V251-L278 HydrophobicContact CG2-CD2 4.2Å; V251-L279 PolarHBondContact O-N 3.08Å; V251-Y337 CarbonylContact C-O 3.59Å; V251-Y337 WeakPolarHBondContact CA-O 3.38Å; V251-A339 HydrophobicContact CG1-CB 3.75Å
252Y98.8Very high95.7Very high0 Ų034.3 Ų34.30%018%0.181CC..EExtended strand (participates in β ladder)trans-82.9126.5173.6179.2-124.5000110.4P254 L279 I318 A321 I325 L329 Y337 V338 A339Y252-P254 HydrophobicContact CD1-CG 4.21Å; Y252-P254 HydrophobicContact CE1-CB 3.75Å; Y252-P254 HydrophobicContact CE1-CG 3.86Å; Y252-P254 WeakPolarHBondContact O-CD 3.48Å; Y252-L279 CarbonylContact C-O 3.46Å; Y252-L279 WeakPolarHBondContact CA-O 3.4Å; Y252-L279 HydrophobicContact CD2-CB 4.29Å; Y252-L279 HydrophobicContact CD2-CD2 3.99Å; Y252-L279 HydrophobicContact CD2-CG 3.92Å; Y252-L279 VanDerWaalsContact CD2-O 3.25Å; Y252-L279 WeakPolarHBondContact CD2-O 3.13Å; Y252-I318 HydrophobicContact CD2-CD1 4.5Å; Y252-I318 HydrophobicContact CE2-CD1 3.88Å; Y252-A321 WeakPolarHBondContact OH-CB 3.27Å; Y252-I325 HydrophobicContact CD1-CD1 4.22Å; Y252-I325 HydrophobicContact CE1-CD1 3.81Å; Y252-I325 HydrophobicContact CE1-CG1 4.14Å; Y252-I325 HydrophobicContact CE1-CG2 4.44Å; Y252-L329 HydrophobicContact CD1-CD2 4.28Å; Y252-L329 HydrophobicContact CE1-CD2 4.07Å; Y252-L329 HydrophobicContact CE2-CD2 4.37Å; Y252-Y337 PolarHBondContact N-O 3.23Å; Y252-V338 HydrophobicContact CD1-CG1 4.18Å; Y252-V338 HydrophobicContact CD1-CG2 4.19Å; Y252-V338 CarbonylContact O-C 3.55Å; Y252-V338 WeakPolarHBondContact O-CA 3.3Å; Y252-A339 PolarHBondContact O-N 3.11Å
253V98.3Very high95.9Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-123.984.9-173.2-167.90000109.8V251 F257 F267 L268 C271 L279 V280 G281 A339V251-V253 HydrophobicContact CG1-CG2 4.05Å; V253-F257 HydrophobicContact CG1-CE2 4.41Å; V253-F257 HydrophobicContact CG1-CZ 3.84Å; V253-F267 HydrophobicContact CG1-CD1 4.3Å; V253-F267 HydrophobicContact CG1-CE1 3.25Å; V253-F267 HydrophobicContact CG1-CZ 3.6Å; V253-L268 HydrophobicContact CG1-CD2 4.24Å; V253-C271 HydrophobicContact CG2-CB 4.28Å; V253-L279 PolarHBondContact N-O 3.47Å; V253-V280 HydrophobicContact CB-CG2 4.46Å; V253-V280 WeakPolarHBondContact O-CA 3.34Å; V253-G281 PolarHBondContact O-N 2.98Å; V253-A339 HydrophobicContact CG2-CB 4.41Å
254P96.9Very high96.1Very high1 Ų125 Ų251%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-79.6133.9-179.630.8-34.3000112.4Y252 G281 Y283 I325 V338 I340 K344 M356Y252-P254 HydrophobicContact CD1-CG 4.21Å; Y252-P254 HydrophobicContact CE1-CB 3.75Å; Y252-P254 HydrophobicContact CE1-CG 3.86Å; Y252-P254 WeakPolarHBondContact O-CD 3.48Å; P254-G281 WeakPolarHBondContact CA-O 3.47Å; P254-Y283 HydrophobicContact CB-CE1 4.11Å; P254-I325 HydrophobicContact CG-CD1 4.17Å; P254-V338 HydrophobicContact CG-CG1 4.18Å; P254-I340 HydrophobicContact CG-CG2 4.24Å; P254-K344 PolarHBondContact O-NZ 2.96Å; P254-M356 HydrophobicContact CG-CE 3.9Å
255G95Very high96.3Very high3 Ų323.4 Ų23.43%0.03113%0.134CC..EExtended strand (participates in β ladder)trans176.3179.5173.200000115.4G281 L282 Y283 E291G255-G281 PolarHBondContact N-O 2.97Å; G255-G281 VanDerWaalsContact O-O 3.09Å; G255-L282 WeakPolarHBondContact O-CA 3.42Å; G255-Y283 PolarHBondContact O-N 3.18Å; G255-Y283 VanDerWaalsContact O-N 3.13Å; G255-E291 WeakPolarHBondContact CA-OE1 3.29Å
256T94Very high96.5Very high0 Ų019 Ų190%011%0.111CC..  trans-76.8-43.7178.7-49.70000113.8D258 S288 E291 S297 R304T256-D258 HydrophobicContact CG2-CB 3.83Å; T256-D258 PolarHBondContact O-N 3.22Å; T256-S288 WeakPolarHBondContact OG1-CB 3.36Å; T256-E291 PolarHBondContact N-OE1 3.13Å; T256-E291 VanDerWaalsContact OG1-CD 3.26Å; T256-E291 PolarHBondContact OG1-OE1 2.92Å; T256-E291 PolarHBondContact OG1-OE2 3.12Å; T256-S297 WeakPolarHBondContact CG2-OG 3.33Å; T256-R304 WeakPolarHBondContact O-CD 3.28Å; T256-R304 PolarHBondContact O-NH1 3.42Å
257F94.9Very high96.7Very high5 Ų514.8 Ų14.82%0.0228%0.079CC..  trans51.738.9-174.1-64.6-91.7000114.5V253 F260 H264 F267 L268 V280 L282 V308V253-F257 HydrophobicContact CG1-CE2 4.41Å; V253-F257 HydrophobicContact CG1-CZ 3.84Å; F257-F260 HydrophobicContact CB-CD2 4.47Å; F257-F260 HydrophobicContact CD1-CD2 4.27Å; F257-F260 HydrophobicContact CD1-CE2 4Å; F257-H264 HydrophobicContact CD1-CB 4.06Å; F257-H264 AromaticContact CD1-CD2 3.87Å; F257-H264 AromaticContact CD1-CG 3.96Å; F257-H264 HydrophobicContact CE1-CB 4.36Å; F257-F267 HydrophobicContact CE1-CD1 4.49Å; F257-F267 HydrophobicContact CZ-CD1 4.44Å; F257-F267 HydrophobicContact CZ-CE1 4.19Å; F257-L268 HydrophobicContact CE1-CD1 4.19Å; F257-L268 HydrophobicContact CE1-CD2 3.95Å; F257-L268 HydrophobicContact CE1-CG 4.12Å; F257-L268 HydrophobicContact CZ-CD2 4.05Å; F257-V280 HydrophobicContact CD2-CG1 3.86Å; F257-V280 HydrophobicContact CE2-CG1 3.56Å; F257-V280 HydrophobicContact CZ-CG1 4.1Å; F257-L282 HydrophobicContact CB-CD2 3.79Å; F257-L282 HydrophobicContact CD2-CD2 3.77Å; F257-L282 HydrophobicContact CG-CD2 4.15Å; F257-V308 HydrophobicContact CB-CG2 3.64Å; F257-V308 HydrophobicContact CD1-CG2 4.44Å; F257-V308 HydrophobicContact CG-CG2 4.06Å
258D94Very high96.9Very high2 Ų28 Ų81%0.0114%0.043CC..THydrogen-bonded Turntrans-76.5149.5176.3-170.830.9000112.3T256 F260 H264 S297 I298 L299T256-D258 HydrophobicContact CG2-CB 3.83Å; T256-D258 PolarHBondContact O-N 3.22Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 PolarHBondContact O-N 2.92Å; D258-H264 PolarHBondContact O-CE1 3.21Å; D258-S297 WeakPolarHBondContact OD2-CA 3.35Å; D258-I298 WeakPolarHBondContact OD2-CB 3.38Å; D258-I298 PolarHBondContact OD2-N 3.03Å; D258-L299 VanDerWaalsContact OD1-CB 3.23Å; D258-L299 WeakPolarHBondContact OD1-CB 3.31Å; D258-L299 PolarHBondContact OD1-N 3.03Å
259L93.9Very high96.9Very high8 Ų810 Ų104%0.0425%0.052CC..THydrogen-bonded Turntrans42.456.2-175.2-64.1174.4000112L138 M142 H261 I298 L299 T376 I380L138-L259 HydrophobicContact CD1-CD2 4.21Å; L138-L259 HydrophobicContact CD2-CD2 3.81Å; L138-L259 HydrophobicContact CG-CD2 4.44Å; M142-L259 HydrophobicContact CE-CD1 4.09Å; M142-L259 HydrophobicContact CE-CD2 4.2Å; M142-L259 HydrophobicContact CG-CD1 4.07Å; M142-L259 HydrophobicContact SD-CD1 3.46Å; M142-L259 WeakPolarHBondContact SD-CD1 3.37Å; L259-H261 WeakPolarHBondContact O-CB 3.48Å; L259-H261 PolarHBondContact O-CD2 3.38Å; L259-H261 PolarHBondContact O-N 3.12Å; L259-H261 VanDerWaalsContact O-N 3.15Å; L259-I298 HydrophobicContact CD1-CB 4.25Å; L259-I298 HydrophobicContact CD1-CG1 3.97Å; L259-I298 HydrophobicContact CD2-CB 4.3Å; L259-I298 HydrophobicContact CD2-CG2 4.11Å; L259-I298 HydrophobicContact CG-CB 4.16Å; L259-I298 HydrophobicContact CG-CG1 4.4Å; L259-I298 HydrophobicContact CG-CG2 4.49Å; L259-L299 HydrophobicContact CD2-CG 4.49Å; L259-T376 HydrophobicContact CB-CG2 4.39Å; L259-T376 HydrophobicContact CD1-CG2 4.02Å; L259-I380 HydrophobicContact CD1-CG1 4.46Å
260F96.7Very high96.9Very high7 Ų79.3 Ų9.33%0.0315%0.047CC..  trans-42.1120.3-170.8-164.3-79.8000112.4L68 F257 D258 H264 L265 L268 V308 C311L68-F260 HydrophobicContact CD2-CD1 4.33Å; L68-F260 HydrophobicContact CD2-CE1 4.41Å; F257-F260 HydrophobicContact CB-CD2 4.47Å; F257-F260 HydrophobicContact CD1-CD2 4.27Å; F257-F260 HydrophobicContact CD1-CE2 4Å; D258-F260 VanDerWaalsContact C-N 3.3Å; D258-F260 PolarHBondContact O-N 2.92Å; F260-H264 HydrophobicContact CD2-CB 4.3Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 HydrophobicContact CZ-CB 4.25Å; F260-L265 HydrophobicContact CE1-CB 4.43Å; F260-L268 HydrophobicContact CE2-CD1 4.09Å; F260-L268 HydrophobicContact CZ-CD1 3.87Å; F260-V308 HydrophobicContact CD2-CG2 4.1Å; F260-V308 HydrophobicContact CE2-CG2 4.25Å; F260-C311 HydrophobicContact CZ-CB 4.04Å
261H95.9Very high96.9Very high4 Ų49.3 Ų9.32%0.0195%0.046CC..  trans-141.3174.2-165.658.765.1000111.6F60 L259 G263 H264 L265 V374 T376 V379F60-H261 HydrophobicContact CE1-CB 4.16Å; F60-H261 HydrophobicContact CE2-CB 4.45Å; F60-H261 HydrophobicContact CZ-CB 3.58Å; L259-H261 WeakPolarHBondContact O-CB 3.48Å; L259-H261 PolarHBondContact O-CD2 3.38Å; L259-H261 PolarHBondContact O-N 3.12Å; L259-H261 VanDerWaalsContact O-N 3.15Å; H261-G263 VanDerWaalsContact C-N 3.25Å; H261-G263 PolarHBondContact ND1-N 3.21Å; H261-G263 PolarHBondContact O-N 3.4Å; H261-H264 AromaticContact CD2-CE1 3.58Å; H261-H264 AromaticContact CD2-ND1 3.51Å; H261-H264 AromaticContact CE1-CE1 3.65Å; H261-H264 AromaticContact CE1-CG 3.87Å; H261-H264 AromaticContact CE1-ND1 3.57Å; H261-H264 AromaticContact CG-ND1 3.75Å; H261-H264 PolarHBondContact ND1-N 3.46Å; H261-H264 AromaticContact ND1-ND1 3.78Å; H261-H264 AromaticContact NE2-CE1 3.16Å; H261-H264 PolarHBondContact NE2-CE1 3.1Å; H261-H264 AromaticContact NE2-ND1 3.4Å; H261-H264 PolarHBondContact NE2-ND1 2.83Å; H261-H264 AromaticContact NE2-NE2 3.79Å; H261-H264 WeakPolarHBondContact O-CB 3.17Å; H261-H264 PolarHBondContact O-N 2.86Å; H261-L265 PolarHBondContact O-N 3.21Å; H261-L265 VanDerWaalsContact O-N 3.08Å; H261-V374 PolarHBondContact CE1-O 2.67Å; H261-V374 PolarHBondContact ND1-O 3.14Å; H261-T376 PolarHBondContact NE2-N 3.04Å; H261-T376 PolarHBondContact NE2-OG1 2.94Å; H261-V379 HydrophobicContact CB-CG2 4.23Å
262I96.5Very high96.8Very high5 Ų512.2 Ų12.23%0.0266%0.062CC..Hα-helixtrans-61-29.6-172.4-16956.2000114E64 R67 L68 L265 S266 V374E64-I262 HydrophobicContact CB-CB 4.36Å; E64-I262 HydrophobicContact CB-CG2 4.33Å; E64-I262 HydrophobicContact CG-CG2 4.1Å; R67-I262 HydrophobicContact CB-CD1 3.56Å; R67-I262 HydrophobicContact CG-CD1 4.42Å; L68-I262 HydrophobicContact CG-CB 4.5Å; L68-I262 HydrophobicContact CG-CD1 4.49Å; I262-L265 HydrophobicContact CD1-CB 4.24Å; I262-L265 HydrophobicContact CD1-CD2 3.82Å; I262-L265 HydrophobicContact CD1-CG 4.42Å; I262-L265 PolarHBondContact O-N 3.06Å; I262-S266 WeakPolarHBondContact O-CB 3.44Å; I262-S266 PolarHBondContact O-N 3.27Å; I262-S266 PolarHBondContact O-OG 3.49Å; I262-V374 HydrophobicContact CG2-CB 3.62Å; I262-V374 HydrophobicContact CG2-CG1 3.85Å; I262-V374 HydrophobicContact CG2-CG2 3.54Å
263G96Very high96.8Very high6 Ų619.8 Ų19.86%0.06210%0.095CC..Hα-helixtrans-62.7-44.4169.500000114.3H261 L265 S266 F267 S372 V374H261-G263 VanDerWaalsContact C-N 3.25Å; H261-G263 PolarHBondContact ND1-N 3.21Å; H261-G263 PolarHBondContact O-N 3.4Å; G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.16Å; G263-S266 PolarHBondContact O-N 3.16Å; G263-F267 VanDerWaalsContact O-CB 3.31Å; G263-F267 WeakPolarHBondContact O-CB 3.44Å; G263-F267 PolarHBondContact O-N 2.97Å; G263-S372 VanDerWaalsContact CA-OG 3.29Å; G263-S372 WeakPolarHBondContact CA-OG 3.48Å; G263-V374 VanDerWaalsContact CA-O 3.3Å; G263-V374 WeakPolarHBondContact CA-O 3.38Å
264H97.3Very high96.8Very high19 Ų1922 Ų229%0.08811%0.106CC..Hα-helixtrans-60.8-43.5172.4-67.2132.4000110.9F257 D258 F260 H261 F267 L268F257-H264 HydrophobicContact CD1-CB 4.06Å; F257-H264 AromaticContact CD1-CD2 3.87Å; F257-H264 AromaticContact CD1-CG 3.96Å; F257-H264 HydrophobicContact CE1-CB 4.36Å; D258-H264 PolarHBondContact O-CE1 3.21Å; F260-H264 HydrophobicContact CD2-CB 4.3Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 HydrophobicContact CZ-CB 4.25Å; H261-H264 AromaticContact CD2-CE1 3.58Å; H261-H264 AromaticContact CD2-ND1 3.51Å; H261-H264 AromaticContact CE1-CE1 3.65Å; H261-H264 AromaticContact CE1-CG 3.87Å; H261-H264 AromaticContact CE1-ND1 3.57Å; H261-H264 AromaticContact CG-ND1 3.75Å; H261-H264 PolarHBondContact ND1-N 3.46Å; H261-H264 AromaticContact ND1-ND1 3.78Å; H261-H264 AromaticContact NE2-CE1 3.16Å; H261-H264 PolarHBondContact NE2-CE1 3.1Å; H261-H264 AromaticContact NE2-ND1 3.4Å; H261-H264 PolarHBondContact NE2-ND1 2.83Å; H261-H264 AromaticContact NE2-NE2 3.79Å; H261-H264 WeakPolarHBondContact O-CB 3.17Å; H261-H264 PolarHBondContact O-N 2.86Å; H264-F267 PolarHBondContact O-N 3.26Å; H264-L268 WeakPolarHBondContact O-CG 3.37Å; H264-L268 PolarHBondContact O-N 3.37Å
265L98.2Very high96.9Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-61.2-49.9178.2-178.560.1000112.2R67 L68 A71 F260 H261 I262 G263 F267 L268 E269 Y313R67-L265 HydrophobicContact CB-CD2 4.32Å; R67-L265 WeakPolarHBondContact O-CD2 3.45Å; L68-L265 HydrophobicContact CD2-CB 4.37Å; L68-L265 HydrophobicContact CD2-CD2 4.26Å; A71-L265 HydrophobicContact CB-CD1 3.35Å; A71-L265 HydrophobicContact CB-CD2 3.62Å; A71-L265 HydrophobicContact CB-CG 4.15Å; F260-L265 HydrophobicContact CE1-CB 4.43Å; H261-L265 PolarHBondContact O-N 3.21Å; H261-L265 VanDerWaalsContact O-N 3.08Å; I262-L265 HydrophobicContact CD1-CB 4.24Å; I262-L265 HydrophobicContact CD1-CD2 3.82Å; I262-L265 HydrophobicContact CD1-CG 4.42Å; I262-L265 PolarHBondContact O-N 3.06Å; G263-L265 VanDerWaalsContact C-N 3.31Å; G263-L265 PolarHBondContact O-N 3.16Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.4Å; L265-L268 PolarHBondContact O-N 3.17Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-E269 WeakPolarHBondContact O-CG 3.34Å; L265-E269 PolarHBondContact O-N 3.15Å; L265-Y313 HydrophobicContact CD1-CD2 3.64Å; L265-Y313 HydrophobicContact CD1-CE2 3.38Å; L265-Y313 HydrophobicContact CG-CE2 4.37Å
266S97.9Very high96.9Very high5 Ų526.2 Ų26.24%0.03513%0.129CC..Hα-helixtrans-63.6-36.8-179.8-52.30000111.1R67 I262 G263 E269 Q270 S370R67-S266 PolarHBondContact NH1-OG 3.03Å; R67-S266 PolarHBondContact NH2-OG 3.29Å; I262-S266 WeakPolarHBondContact O-CB 3.44Å; I262-S266 PolarHBondContact O-N 3.27Å; I262-S266 PolarHBondContact O-OG 3.49Å; G263-S266 PolarHBondContact O-N 3.16Å; S266-E269 PolarHBondContact O-N 3.33Å; S266-Q270 WeakPolarHBondContact O-CG 3.42Å; S266-Q270 PolarHBondContact O-N 2.81Å; S266-Q270 VanDerWaalsContact O-N 3.07Å; S266-S370 VanDerWaalsContact CB-O 3.24Å; S266-S370 WeakPolarHBondContact CB-O 3.48Å
267F98Very high97.1Very high20 Ų2026.2 Ų26.29%0.08813%0.129CC..Hα-helixtrans-62.2-45.1172.6170.2-117.6000112.5V253 F257 G263 H264 L265 E269 Q270 C271 I368V253-F267 HydrophobicContact CG1-CD1 4.3Å; V253-F267 HydrophobicContact CG1-CE1 3.25Å; V253-F267 HydrophobicContact CG1-CZ 3.6Å; F257-F267 HydrophobicContact CE1-CD1 4.49Å; F257-F267 HydrophobicContact CZ-CD1 4.44Å; F257-F267 HydrophobicContact CZ-CE1 4.19Å; G263-F267 VanDerWaalsContact O-CB 3.31Å; G263-F267 WeakPolarHBondContact O-CB 3.44Å; G263-F267 PolarHBondContact O-N 2.97Å; H264-F267 PolarHBondContact O-N 3.26Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.4Å; F267-E269 PolarHBondContact O-N 3.17Å; F267-Q270 PolarHBondContact O-N 3.2Å; F267-C271 PolarHBondContact O-N 3.44Å; F267-C271 PolarHBondContact O-SG 3.38Å; F267-I368 HydrophobicContact CD2-CB 4.15Å; F267-I368 HydrophobicContact CD2-CG2 4.15Å; F267-I368 HydrophobicContact CE2-CB 3.91Å; F267-I368 HydrophobicContact CE2-CG2 4.36Å
268L98.5Very high97.3Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-64.4-38.6176.6-68173.9000112.1V253 F257 F260 H264 L265 Q270 C271 L272 L278 V280 V314V253-L268 HydrophobicContact CG1-CD2 4.24Å; F257-L268 HydrophobicContact CE1-CD1 4.19Å; F257-L268 HydrophobicContact CE1-CD2 3.95Å; F257-L268 HydrophobicContact CE1-CG 4.12Å; F257-L268 HydrophobicContact CZ-CD2 4.05Å; F260-L268 HydrophobicContact CE2-CD1 4.09Å; F260-L268 HydrophobicContact CZ-CD1 3.87Å; H264-L268 WeakPolarHBondContact O-CG 3.37Å; H264-L268 PolarHBondContact O-N 3.37Å; L265-L268 PolarHBondContact O-N 3.17Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.31Å; L268-C271 WeakPolarHBondContact O-CB 3.31Å; L268-C271 PolarHBondContact O-N 2.91Å; L268-C271 VanDerWaalsContact O-N 3.13Å; L268-L272 PolarHBondContact O-N 3.19Å; L268-L278 HydrophobicContact CB-CD1 4.26Å; L268-L278 HydrophobicContact CD2-CD1 4.12Å; L268-V280 HydrophobicContact CD2-CG2 4.22Å; L268-V314 HydrophobicContact CD1-CG2 4.12Å
269E98.2Very high97.5Very high52 Ų5225.9 Ų25.924%0.24313%0.128CC..Hα-helixtrans-61-38.1174-71.9175.8157.300112.1R67 L265 S266 F267 L272 Y313R67-E269 IonicContact CZ-OE2 3.49Å; R67-E269 IonicContact NH2-OE2 3.48Å; R67-E269 PolarHBondContact NH2-OE2 2.98Å; L265-E269 WeakPolarHBondContact O-CG 3.34Å; L265-E269 PolarHBondContact O-N 3.15Å; S266-E269 PolarHBondContact O-N 3.33Å; F267-E269 PolarHBondContact O-N 3.17Å; E269-L272 WeakPolarHBondContact O-CB 3.5Å; E269-L272 PolarHBondContact O-N 2.9Å; E269-Y313 HydrophobicContact CG-CD2 3.94Å; E269-Y313 HydrophobicContact CG-CE2 3.28Å; E269-Y313 WeakPolarHBondContact OE1-CE2 3.24Å; E269-Y313 PolarHBondContact OE1-OH 2.74Å
270Q98.3Very high97.7Very high58 Ų5825.5 Ų25.527%0.27113%0.126SC..Hα-helixtrans-70.7-34.3175-63.5-79.484.400111.6S266 F267 L268 L272 K273 I368 D369S266-Q270 WeakPolarHBondContact O-CG 3.42Å; S266-Q270 PolarHBondContact O-N 2.81Å; S266-Q270 VanDerWaalsContact O-N 3.07Å; F267-Q270 PolarHBondContact O-N 3.2Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.31Å; Q270-L272 VanDerWaalsContact C-N 3.32Å; Q270-L272 PolarHBondContact O-N 2.98Å; Q270-K273 WeakPolarHBondContact O-CB 3.32Å; Q270-K273 PolarHBondContact O-N 3.49Å; Q270-I368 HydrophobicContact CB-CG2 3.34Å; Q270-I368 HydrophobicContact CG-CG2 4.32Å; Q270-D369 WeakPolarHBondContact CG-O 3.35Å; Q270-D369 PolarHBondContact NE2-O 3.04Å
271C98.6Very high97.8Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-64-35.4172.9-63.80000112.2V251 V253 F267 L268 K273 L274 L278V251-C271 HydrophobicContact CG1-CB 4.32Å; V253-C271 HydrophobicContact CG2-CB 4.28Å; F267-C271 PolarHBondContact O-N 3.44Å; F267-C271 PolarHBondContact O-SG 3.38Å; L268-C271 WeakPolarHBondContact O-CB 3.31Å; L268-C271 PolarHBondContact O-N 2.91Å; L268-C271 VanDerWaalsContact O-N 3.13Å; C271-K273 PolarHBondContact O-N 3.43Å; C271-K273 VanDerWaalsContact O-N 3.14Å; C271-L274 WeakPolarHBondContact O-CB 3.42Å; C271-L274 PolarHBondContact O-N 3.49Å; C271-L278 HydrophobicContact CB-CD1 4.19Å; C271-L278 HydrophobicContact CB-CD2 3.83Å
272L97.8Very high97.9Very high61 Ų6125 Ų2532%0.31912%0.124SC..THydrogen-bonded Turntrans-61.2-19.5175.1-73.9173.3000113.4L268 E269 Q270 L274 G275 L278 Y313L268-L272 PolarHBondContact O-N 3.19Å; E269-L272 WeakPolarHBondContact O-CB 3.5Å; E269-L272 PolarHBondContact O-N 2.9Å; Q270-L272 VanDerWaalsContact C-N 3.32Å; Q270-L272 PolarHBondContact O-N 2.98Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L272-G275 CarbonylContact C-O 3.55Å; L272-G275 WeakPolarHBondContact CA-O 3.4Å; L272-G275 VanDerWaalsContact O-O 3.07Å; L272-L278 HydrophobicContact CD2-CD1 3.84Å; L272-L278 HydrophobicContact CD2-CD2 4.2Å; L272-L278 HydrophobicContact CD2-CG 3.71Å; L272-L278 HydrophobicContact CG-CD1 3.88Å; L272-L278 HydrophobicContact CG-CG 4.26Å; L272-Y313 HydrophobicContact CD1-CD1 3.56Å; L272-Y313 HydrophobicContact CD1-CD2 4.34Å; L272-Y313 HydrophobicContact CD1-CE1 4.17Å; L272-Y313 HydrophobicContact CD1-CG 3.68Å
273K98.2Very high97.8Very high160 Ų16024.8 Ų24.870%0.69612%0.122SC*.THydrogen-bonded Turntrans-74.6-18.4174.1-60179.2175.1176.60112.9Q270 C271Q270-K273 WeakPolarHBondContact O-CB 3.32Å; Q270-K273 PolarHBondContact O-N 3.49Å; C271-K273 PolarHBondContact O-N 3.43Å; C271-K273 VanDerWaalsContact O-N 3.14Å
274L98.2Very high97.7Very high45 Ų4525.4 Ų25.424%0.23613%0.126CC..THydrogen-bonded Turntrans-88.5-30.3177.1-61.2178.1000112.5I249 V251 C271 L272 Y337 A339 R366 I368I249-L274 WeakPolarHBondContact CG2-O 3.3Å; V251-L274 HydrophobicContact CG1-CD1 4.23Å; V251-L274 HydrophobicContact CG2-CB 3.84Å; C271-L274 WeakPolarHBondContact O-CB 3.42Å; C271-L274 PolarHBondContact O-N 3.49Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L274-Y337 HydrophobicContact CB-CD2 4.02Å; L274-A339 HydrophobicContact CD1-CB 4.23Å; L274-R366 HydrophobicContact CD1-CB 4Å; L274-R366 HydrophobicContact CD1-CG 4.04Å; L274-I368 HydrophobicContact CD1-CD1 3.87Å; L274-I368 HydrophobicContact CD1-CG1 4.33Å; L274-I368 HydrophobicContact CD2-CD1 4.49Å; L274-I368 HydrophobicContact CG-CD1 4.38Å
275G98Very high97.3Very high6 Ų627.5 Ų27.56%0.06214%0.138CC..  trans-170.8163.6-175.900000112.7I249 L272I249-G275 CarbonylContact O-C 3.56Å; I249-G275 WeakPolarHBondContact O-CA 3.38Å; L272-G275 CarbonylContact C-O 3.55Å; L272-G275 WeakPolarHBondContact CA-O 3.4Å; L272-G275 VanDerWaalsContact O-O 3.07Å
276N96.5Very high96.8Very high88 Ų8834.7 Ų34.747%0.47117%0.169SC..SBendtrans-96.41.1-171.568.2-40.8000113.6D248 I249D248-N276 WeakPolarHBondContact CA-OD1 3.42Å; D248-N276 PolarHBondContact OD1-ND2 3.49Å; I249-N276 PolarHBondContact N-OD1 3.45Å; I249-N276 PolarHBondContact O-N 3.35Å
277Y98.1Very high96.2Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-129.1111.5176-171.9-76.1000110.2R242 P244 I249 V250 V251 L279 N316R242-Y277 HydrophobicContact CG-CE2 4.47Å; R242-Y277 WeakPolarHBondContact O-CE2 3.2Å; R242-Y277 PolarHBondContact O-OH 2.98Å; P244-Y277 HydrophobicContact CB-CD2 4.3Å; P244-Y277 HydrophobicContact CB-CE1 4.48Å; P244-Y277 HydrophobicContact CB-CE2 4.19Å; P244-Y277 HydrophobicContact CB-CG 4.5Å; P244-Y277 WeakPolarHBondContact CD-OH 3.31Å; P244-Y277 HydrophobicContact CG-CD1 4.24Å; P244-Y277 HydrophobicContact CG-CD2 4.48Å; P244-Y277 HydrophobicContact CG-CE1 3.74Å; P244-Y277 HydrophobicContact CG-CE2 4.01Å; I249-Y277 PolarHBondContact O-N 3.31Å; V250-Y277 HydrophobicContact CB-CD1 4.49Å; V250-Y277 HydrophobicContact CG1-CD1 4.07Å; V250-Y277 HydrophobicContact CG2-CD1 4.14Å; V250-Y277 HydrophobicContact CG2-CG 4.4Å; V251-Y277 PolarHBondContact N-O 3.11Å; Y277-L279 HydrophobicContact CD1-CB 4.41Å; Y277-L279 HydrophobicContact CE1-CB 4.1Å; Y277-N316 HydrophobicContact CE1-CB 4.14Å; Y277-N316 WeakPolarHBondContact OH-CB 3.46Å; Y277-N316 PolarHBondContact OH-ND2 3.05Å
278L98.2Very high95.4Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-97.5110.5178.1-61.4-164.8000110.9V251 L268 C271 L272 S315 N316V251-L278 HydrophobicContact CB-CD2 3.74Å; V251-L278 HydrophobicContact CG1-CD2 4.29Å; V251-L278 HydrophobicContact CG2-CD2 4.2Å; L268-L278 HydrophobicContact CB-CD1 4.26Å; L268-L278 HydrophobicContact CD2-CD1 4.12Å; C271-L278 HydrophobicContact CB-CD1 4.19Å; C271-L278 HydrophobicContact CB-CD2 3.83Å; L272-L278 HydrophobicContact CD2-CD1 3.84Å; L272-L278 HydrophobicContact CD2-CD2 4.2Å; L272-L278 HydrophobicContact CD2-CG 3.71Å; L272-L278 HydrophobicContact CG-CD1 3.88Å; L272-L278 HydrophobicContact CG-CG 4.26Å; L278-S315 PolarHBondContact N-OG 3.23Å; L278-S315 WeakPolarHBondContact O-CB 3.07Å; L278-S315 PolarHBondContact O-N 3.26Å; L278-N316 PolarHBondContact O-N 3.27Å
279L98.5Very high94.3Very high0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-96.1103172.5-178.463.7000109V250 V251 Y252 V253 Y277 N316 I318 F333V250-L279 HydrophobicContact CG1-CB 4.26Å; V250-L279 HydrophobicContact CG1-CD2 4.45Å; V251-L279 PolarHBondContact O-N 3.08Å; Y252-L279 CarbonylContact C-O 3.46Å; Y252-L279 WeakPolarHBondContact CA-O 3.4Å; Y252-L279 HydrophobicContact CD2-CB 4.29Å; Y252-L279 HydrophobicContact CD2-CD2 3.99Å; Y252-L279 HydrophobicContact CD2-CG 3.92Å; Y252-L279 VanDerWaalsContact CD2-O 3.25Å; Y252-L279 WeakPolarHBondContact CD2-O 3.13Å; V253-L279 PolarHBondContact N-O 3.47Å; Y277-L279 HydrophobicContact CD1-CB 4.41Å; Y277-L279 HydrophobicContact CE1-CB 4.1Å; L279-N316 HydrophobicContact CD1-CB 3.73Å; L279-I318 HydrophobicContact CD1-CD1 4.45Å; L279-I318 HydrophobicContact CD1-CG1 3.96Å; L279-I318 HydrophobicContact CD2-CD1 4.03Å; L279-I318 HydrophobicContact CD2-CG1 4.44Å; L279-I318 HydrophobicContact CG-CD1 4.28Å; L279-I318 HydrophobicContact CG-CG1 4.24Å; L279-F333 HydrophobicContact CD1-CD1 4.49Å; L279-F333 HydrophobicContact CD1-CE1 4.5Å; L279-F333 HydrophobicContact CD2-CB 3.61Å; L279-F333 HydrophobicContact CD2-CD1 3.89Å; L279-F333 HydrophobicContact CD2-CD2 3.75Å; L279-F333 HydrophobicContact CD2-CE1 4.5Å; L279-F333 HydrophobicContact CD2-CE2 4.38Å; L279-F333 HydrophobicContact CD2-CG 3.47Å; L279-F333 VanDerWaalsContact CD2-CG 3.47Å
280V98.5Very high93.2Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-85.4125.3180175.60000110.1V253 F257 L268 L282 V308 V314 N316 V317 I318V253-V280 HydrophobicContact CB-CG2 4.46Å; V253-V280 WeakPolarHBondContact O-CA 3.34Å; F257-V280 HydrophobicContact CD2-CG1 3.86Å; F257-V280 HydrophobicContact CE2-CG1 3.56Å; F257-V280 HydrophobicContact CZ-CG1 4.1Å; L268-V280 HydrophobicContact CD2-CG2 4.22Å; V280-L282 HydrophobicContact CG1-CD2 4.21Å; V280-L282 HydrophobicContact CG1-CG 4.25Å; V280-V308 HydrophobicContact CB-CG1 4.18Å; V280-V308 HydrophobicContact CG1-CG1 3.94Å; V280-V308 HydrophobicContact CG2-CG1 4.36Å; V280-V314 HydrophobicContact CB-CG1 4.26Å; V280-V314 HydrophobicContact CG2-CB 4.46Å; V280-V314 HydrophobicContact CG2-CG1 3.85Å; V280-V314 HydrophobicContact CG2-CG2 3.9Å; V280-N316 PolarHBondContact N-O 3.49Å; V280-V317 HydrophobicContact CB-CG2 4.43Å; V280-V317 CarbonylContact O-C 3.51Å; V280-V317 WeakPolarHBondContact O-CA 3.49Å; V280-I318 PolarHBondContact O-N 2.63Å
281G98.2Very high92.1Very high0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-96108.6171.300000110.9V253 P254 G255V253-G281 PolarHBondContact O-N 2.98Å; P254-G281 WeakPolarHBondContact CA-O 3.47Å; G255-G281 PolarHBondContact N-O 2.97Å; G255-G281 VanDerWaalsContact O-O 3.09Å
282L97.6Very high90.5Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-88.1116.3178.4-74.3175.8000111.8G255 F257 V280 L301 L305 V308 V317 I318 D320 A321G255-L282 WeakPolarHBondContact O-CA 3.42Å; F257-L282 HydrophobicContact CB-CD2 3.79Å; F257-L282 HydrophobicContact CD2-CD2 3.77Å; F257-L282 HydrophobicContact CG-CD2 4.15Å; V280-L282 HydrophobicContact CG1-CD2 4.21Å; V280-L282 HydrophobicContact CG1-CG 4.25Å; L282-L301 HydrophobicContact CB-CD1 3.82Å; L282-L305 VanDerWaalsContact CD1-CA 3.48Å; L282-L305 HydrophobicContact CD1-CB 3.98Å; L282-L305 HydrophobicContact CD1-CD1 4.06Å; L282-V308 HydrophobicContact CD1-CB 4.3Å; L282-V308 HydrophobicContact CD1-CG2 4.25Å; L282-V308 HydrophobicContact CD2-CG2 3.86Å; L282-V317 HydrophobicContact CB-CG1 4.42Å; L282-V317 HydrophobicContact CD1-CG1 3.68Å; L282-V317 HydrophobicContact CG-CG1 3.87Å; L282-I318 PolarHBondContact N-O 2.78Å; L282-D320 CarbonylContact O-C 3.43Å; L282-D320 VanDerWaalsContact O-CA 3.29Å; L282-D320 WeakPolarHBondContact O-CA 3.24Å; L282-D320 PolarHBondContact O-N 3.37Å; L282-A321 PolarHBondContact O-N 3.05Å
283Y95.1Very high88.8Confident0 Ų037 Ų370%020%0.199CC..PPolyproline II helixtrans-63.9141.6171.2-63.2-30.3000111.5P254 G255 T287 E291 L301 R304 A321 Y323P254-Y283 HydrophobicContact CB-CE1 4.11Å; G255-Y283 PolarHBondContact O-N 3.18Å; G255-Y283 VanDerWaalsContact O-N 3.13Å; Y283-T287 HydrophobicContact CD1-CG2 3.86Å; Y283-T287 HydrophobicContact CD2-CG2 4.48Å; Y283-T287 HydrophobicContact CG-CG2 3.85Å; Y283-E291 HydrophobicContact CD2-CG 4.21Å; Y283-E291 WeakPolarHBondContact CD2-OE1 3.48Å; Y283-E291 HydrophobicContact CE2-CG 4.07Å; Y283-E291 WeakPolarHBondContact CE2-OE1 3.48Å; Y283-L301 WeakPolarHBondContact O-CD1 3.23Å; Y283-R304 VanDerWaalsContact O-CZ 3.3Å; Y283-R304 PolarHBondContact O-NH1 3.01Å; Y283-R304 PolarHBondContact O-NH2 3.42Å; Y283-A321 HydrophobicContact CD1-CB 4.38Å; Y283-A321 WeakPolarHBondContact CD1-O 3.48Å; Y283-Y323 HydrophobicContact CE1-CD2 4.34Å; Y283-Y323 HydrophobicContact CE2-CD2 4.2Å; Y283-Y323 HydrophobicContact CE2-CE2 4.42Å; Y283-Y323 AromaticContact CZ-CD2 3.97Å
284S93.7Very high87.4Confident19 Ų1931.9 Ų31.913%0.13318%0.175CC..PPolyproline II helixtrans-60.8165.216642.90000112.2K286 T287 S288 D320S284-K286 PolarHBondContact O-N 3.37Å; S284-T287 PolarHBondContact O-N 3.45Å; S284-T287 WeakPolarHBondContact OG-CB 3.43Å; S284-T287 PolarHBondContact OG-OG1 3.02Å; S284-T287 VanDerWaalsContact OG-OG1 3.11Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 2.9Å; S284-D320 WeakPolarHBondContact CB-OD1 3.41Å; S284-D320 PolarHBondContact OG-OD1 3.37Å
285D89.2Confident86.3Confident64 Ų6430.2 Ų30.234%0.34217%0.166SC..Hα-helixtrans-61-36.4179.8-59.8-21.1000111.2S288 T300 L301 R304D285-S288 PolarHBondContact O-OG 3.43Å; D285-T300 WeakPolarHBondContact OD2-CA 3.49Å; D285-L301 PolarHBondContact OD1-N 3.39Å; D285-L301 PolarHBondContact OD2-N 2.66Å; D285-R304 IonicContact OD1-CZ 3.82Å; D285-R304 IonicContact OD1-NE 3.26Å; D285-R304 IonicContact OD1-NH2 3.47Å; D285-R304 PolarHBondContact OD1-NH2 3.11Å
286K86.9Confident85.5Confident151 Ų15130.4 Ų30.466%0.65717%0.169SC*.Hα-helixtrans-64.5-53.8173.3-175.9178.7178.6-178.70111.4S284 S288 S289S284-K286 PolarHBondContact O-N 3.37Å; K286-S288 VanDerWaalsContact C-N 3.25Å; K286-S288 PolarHBondContact O-N 2.98Å; K286-S289 WeakPolarHBondContact O-CB 3.36Å; K286-S289 PolarHBondContact O-N 3.27Å; K286-S289 PolarHBondContact O-OG 3.18Å
287T85.3Confident85.2Confident20 Ų2027 Ų2712%0.12315%0.152CC..Hα-helixtrans-64.6-30.2-178.1-63.70000112.8Y283 S284 S289 F290 Y323Y283-T287 HydrophobicContact CD1-CG2 3.86Å; Y283-T287 HydrophobicContact CD2-CG2 4.48Å; Y283-T287 HydrophobicContact CG-CG2 3.85Å; S284-T287 PolarHBondContact O-N 3.45Å; S284-T287 WeakPolarHBondContact OG-CB 3.43Å; S284-T287 PolarHBondContact OG-OG1 3.02Å; S284-T287 VanDerWaalsContact OG-OG1 3.11Å; T287-S289 PolarHBondContact O-N 2.9Å; T287-S289 VanDerWaalsContact O-N 3.14Å; T287-F290 HydrophobicContact CG2-CD2 4.1Å; T287-F290 WeakPolarHBondContact O-CB 3.36Å; T287-F290 WeakPolarHBondContact O-CD2 3.43Å; T287-F290 PolarHBondContact O-N 3.06Å; T287-Y323 HydrophobicContact CG2-CD2 3.89Å; T287-Y323 HydrophobicContact CG2-CG 4.05Å
288S80.8Confident84.8Confident0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-59.3-25.5176.875.80000113.6T256 S284 D285 K286 F290 E291 S297T256-S288 WeakPolarHBondContact OG1-CB 3.36Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 2.9Å; D285-S288 PolarHBondContact O-OG 3.43Å; K286-S288 VanDerWaalsContact C-N 3.25Å; K286-S288 PolarHBondContact O-N 2.98Å; S288-F290 PolarHBondContact O-N 3.19Å; S288-E291 PolarHBondContact O-N 3.38Å; S288-S297 VanDerWaalsContact CB-OG 3.32Å; S288-S297 WeakPolarHBondContact CB-OG 3.32Å; S288-S297 PolarHBondContact OG-OG 3.49Å
289S77.2Confident84.5Confident52 Ų5227.2 Ų27.236%0.36415%0.152SC..THydrogen-bonded Turntrans-70.6-16.5177.8700000113.7K286 T287 E291K286-S289 WeakPolarHBondContact O-CB 3.36Å; K286-S289 PolarHBondContact O-N 3.27Å; K286-S289 PolarHBondContact O-OG 3.18Å; T287-S289 PolarHBondContact O-N 2.9Å; T287-S289 VanDerWaalsContact O-N 3.14Å; S289-E291 VanDerWaalsContact C-N 3.28Å
290F74.8Confident84.3Confident72 Ų7228.2 Ų28.232%0.31616%0.159SC..THydrogen-bonded Turntrans-78.3-13.3174.2-54.5-45.3000112.6T287 S288 S292 Y323 T347T287-F290 HydrophobicContact CG2-CD2 4.1Å; T287-F290 WeakPolarHBondContact O-CB 3.36Å; T287-F290 WeakPolarHBondContact O-CD2 3.43Å; T287-F290 PolarHBondContact O-N 3.06Å; S288-F290 PolarHBondContact O-N 3.19Å; F290-S292 PolarHBondContact O-N 3.48Å; F290-Y323 HydrophobicContact CB-CD1 4.35Å; F290-Y323 HydrophobicContact CB-CD2 4.17Å; F290-Y323 HydrophobicContact CB-CE1 3.94Å; F290-Y323 HydrophobicContact CB-CE2 3.75Å; F290-Y323 HydrophobicContact CB-CG 4.46Å; F290-Y323 HydrophobicContact CD2-CD1 4.16Å; F290-Y323 HydrophobicContact CD2-CD2 4.38Å; F290-Y323 HydrophobicContact CD2-CG 4.08Å; F290-Y323 HydrophobicContact CG-CE1 4.5Å; F290-Y323 PolarHBondContact O-OH 3.14Å; F290-T347 PolarHBondContact O-OG1 3.19Å
291E74.1Confident84.1Confident8 Ų829.1 Ų29.14%0.03716%0.164CC..BIsolated β-bridgetrans-72.4122.7168.1-65.8-166173.900109.7G255 T256 Y283 S288 S289 R294 K344G255-E291 WeakPolarHBondContact CA-OE1 3.29Å; T256-E291 PolarHBondContact N-OE1 3.13Å; T256-E291 VanDerWaalsContact OG1-CD 3.26Å; T256-E291 PolarHBondContact OG1-OE1 2.92Å; T256-E291 PolarHBondContact OG1-OE2 3.12Å; Y283-E291 HydrophobicContact CD2-CG 4.21Å; Y283-E291 WeakPolarHBondContact CD2-OE1 3.48Å; Y283-E291 HydrophobicContact CE2-CG 4.07Å; Y283-E291 WeakPolarHBondContact CE2-OE1 3.48Å; S288-E291 PolarHBondContact O-N 3.38Å; S289-E291 VanDerWaalsContact C-N 3.28Å; E291-R294 HydrophobicContact CB-CG 4.45Å; E291-R294 IonicContact OE2-CZ 3.75Å; E291-R294 IonicContact OE2-NE 3.77Å; E291-R294 PolarHBondContact OE2-NE 2.97Å; E291-R294 IonicContact OE2-NH2 2.92Å; E291-R294 PolarHBondContact OE2-NH2 3.13Å; E291-K344 WeakPolarHBondContact OE1-CE 3.39Å; E291-K344 IonicContact OE1-NZ 2.81Å; E291-K344 PolarHBondContact OE1-NZ 3.04Å; E291-K344 IonicContact OE2-NZ 3.09Å
292S64.8Low84Confident61 Ų6132 Ų3243%0.42718%0.177SC..THydrogen-bonded Turntrans-58147.4178.6-68.60000112.2F290 R294 N345 T347F290-S292 PolarHBondContact O-N 3.48Å; S292-R294 PolarHBondContact O-N 3.01Å; S292-N345 WeakPolarHBondContact CB-O 3.28Å; S292-N345 PolarHBondContact OG-O 3.36Å; S292-T347 VanDerWaalsContact OG-CG2 3.29Å; S292-T347 WeakPolarHBondContact OG-CG2 3.39Å
293G63.1Low84Confident30 Ų3032 Ų3231%0.30918%0.177SC..THydrogen-bonded Turntrans75.719.2170.500000115.4Q158Q158-G293 WeakPolarHBondContact O-CA 3.39Å
294R68.3Low84Confident53 Ų5332 Ų3220%0.218%0.177CC..  trans-113.5150.3177.5-64.6-167.1-175.8-111.43.4112.4E291 S292 G296 T376E291-R294 HydrophobicContact CB-CG 4.45Å; E291-R294 IonicContact OE2-CZ 3.75Å; E291-R294 IonicContact OE2-NE 3.77Å; E291-R294 PolarHBondContact OE2-NE 2.97Å; E291-R294 IonicContact OE2-NH2 2.92Å; E291-R294 PolarHBondContact OE2-NH2 3.13Å; S292-R294 PolarHBondContact O-N 3.01Å; R294-G296 PolarHBondContact O-N 3.18Å; R294-T376 PolarHBondContact NH1-OG1 2.93Å
295M76.5Confident84.2Confident10 Ų1031.2 Ų31.25%0.04917%0.171CC..  trans-81.710.4169.457172.862.700115R145 I146 L149 F159 I298 I380R145-M295 HydrophobicContact CB-SD 4.42Å; R145-M295 HydrophobicContact CG-CB 4.45Å; R145-M295 HydrophobicContact CG-CG 4.38Å; R145-M295 HydrophobicContact CG-SD 3.89Å; R145-M295 VanDerWaalsContact CZ-O 3.26Å; R145-M295 PolarHBondContact NE-O 3.23Å; R145-M295 PolarHBondContact NH2-O 3.41Å; I146-M295 HydrophobicContact CD1-CE 4.43Å; I146-M295 HydrophobicContact CG1-CE 3.67Å; I146-M295 HydrophobicContact CG1-SD 4.26Å; L149-M295 HydrophobicContact CD1-CB 3.35Å; F159-M295 HydrophobicContact CE2-CE 3.59Å; F159-M295 HydrophobicContact CZ-CE 3.41Å; F159-M295 VanDerWaalsContact CZ-CE 3.41Å; M295-I298 HydrophobicContact CG-CD1 4.41Å; M295-I298 HydrophobicContact SD-CD1 3.84Å; M295-I380 HydrophobicContact CE-CD1 3.83Å; M295-I380 HydrophobicContact CE-CG2 4.05Å; M295-I380 HydrophobicContact CG-CD1 4.25Å; M295-I380 HydrophobicContact SD-CD1 3.77Å
296G80.8Confident84.6Confident11 Ų1128.2 Ų28.211%0.11316%0.155CC..  trans81170-16100000111.7R294R294-G296 PolarHBondContact O-N 3.18Å
297S89.1Confident85.1Confident16 Ų1621.3 Ų21.311%0.11213%0.126CC..  trans-73.2129.7-178.3-60.50000111.4T256 D258 S288 L299T256-S297 WeakPolarHBondContact CG2-OG 3.33Å; D258-S297 WeakPolarHBondContact OD2-CA 3.35Å; S288-S297 VanDerWaalsContact CB-OG 3.32Å; S288-S297 WeakPolarHBondContact CB-OG 3.32Å; S288-S297 PolarHBondContact OG-OG 3.49Å; S297-L299 VanDerWaalsContact CB-O 3.27Å; S297-L299 WeakPolarHBondContact CB-O 3.38Å
298I90.1Very high85.7Confident1 Ų120.4 Ų20.41%0.00512%0.12CC..SBendtrans-72.8-45.3170.5-60.2-57.2000109.7R141 M142 R145 D258 L259 M295R141-I298 HydrophobicContact CB-CG2 3.85Å; R141-I298 VanDerWaalsContact CZ-O 3.23Å; R141-I298 PolarHBondContact NE-O 3Å; R141-I298 VanDerWaalsContact NE-O 3.17Å; R141-I298 PolarHBondContact NH2-O 3.21Å; M142-I298 HydrophobicContact CG-CD1 4.01Å; M142-I298 HydrophobicContact CG-CG1 3.88Å; M142-I298 HydrophobicContact CG-CG2 3.98Å; R145-I298 HydrophobicContact CB-CD1 3.92Å; R145-I298 HydrophobicContact CG-CD1 4Å; D258-I298 WeakPolarHBondContact OD2-CB 3.38Å; D258-I298 PolarHBondContact OD2-N 3.03Å; L259-I298 HydrophobicContact CD1-CB 4.25Å; L259-I298 HydrophobicContact CD1-CG1 3.97Å; L259-I298 HydrophobicContact CD2-CB 4.3Å; L259-I298 HydrophobicContact CD2-CG2 4.11Å; L259-I298 HydrophobicContact CG-CB 4.16Å; L259-I298 HydrophobicContact CG-CG1 4.4Å; L259-I298 HydrophobicContact CG-CG2 4.49Å; M295-I298 HydrophobicContact CG-CD1 4.41Å; M295-I298 HydrophobicContact SD-CD1 3.84Å
299L92.7Very high86.5Confident3 Ų320.6 Ų20.62%0.01612%0.121CC..SBendtrans-89.2142174.1-66.7174.8000112I133 L138 R141 D258 L259 S297 E303 R304I133-L299 HydrophobicContact CD1-CD2 4.14Å; L138-L299 HydrophobicContact CD2-CD2 3.52Å; L138-L299 HydrophobicContact CD2-CG 4.12Å; R141-L299 VanDerWaalsContact NH2-CA 3.31Å; D258-L299 VanDerWaalsContact OD1-CB 3.23Å; D258-L299 WeakPolarHBondContact OD1-CB 3.31Å; D258-L299 PolarHBondContact OD1-N 3.03Å; L259-L299 HydrophobicContact CD2-CG 4.49Å; S297-L299 VanDerWaalsContact CB-O 3.27Å; S297-L299 WeakPolarHBondContact CB-O 3.38Å; L299-E303 HydrophobicContact CB-CB 3.99Å; L299-E303 HydrophobicContact CD2-CB 3.99Å; L299-E303 HydrophobicContact CD2-CG 4.49Å; L299-E303 HydrophobicContact CG-CB 4.43Å; L299-R304 HydrophobicContact CB-CG 3.58Å; L299-R304 HydrophobicContact CD1-CG 4.45Å; L299-R304 PolarHBondContact O-NE 3.17Å
300T93.5Very high87.5Confident22 Ų2218.1 Ų18.114%0.13510%0.104CC..  trans-63.5161.3171.160.80000111.4Y197 D285 Q302 E303 R304Y197-T300 HydrophobicContact CD2-CG2 3.8Å; Y197-T300 HydrophobicContact CE2-CG2 3.12Å; D285-T300 WeakPolarHBondContact OD2-CA 3.49Å; T300-Q302 PolarHBondContact O-N 3.23Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.35Å; T300-E303 PolarHBondContact N-OE2 3.13Å; T300-E303 PolarHBondContact O-N 3.04Å; T300-E303 VanDerWaalsContact O-N 3.09Å; T300-E303 VanDerWaalsContact OG1-CG 3.23Å; T300-E303 WeakPolarHBondContact OG1-CG 3.18Å; T300-E303 PolarHBondContact OG1-N 3.49Å; T300-E303 PolarHBondContact OG1-OE2 3.29Å; T300-R304 WeakPolarHBondContact O-CG 3.39Å; T300-R304 PolarHBondContact O-N 3.12Å
301L94.9Very high88.6Confident19 Ų1914.7 Ų14.710%0.0999%0.089CC..Hα-helixtrans-48.5-42.9172.2177.660.3000113.1L282 Y283 D285 R304 L305 I319 D320L282-L301 HydrophobicContact CB-CD1 3.82Å; Y283-L301 WeakPolarHBondContact O-CD1 3.23Å; D285-L301 PolarHBondContact OD1-N 3.39Å; D285-L301 PolarHBondContact OD2-N 2.66Å; L301-R304 VanDerWaalsContact CA-NH2 3.31Å; L301-R304 PolarHBondContact O-N 2.65Å; L301-L305 VanDerWaalsContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CB 3.38Å; L301-L305 PolarHBondContact O-N 3.16Å; L301-I319 HydrophobicContact CD1-CG2 4.47Å; L301-I319 HydrophobicContact CD2-CG2 3.79Å; L301-I319 HydrophobicContact CG-CG2 4.19Å; L301-D320 HydrophobicContact CD2-CB 4.03Å
302Q96Very high89.6Confident59 Ų5918.9 Ų18.928%0.27611%0.105SC..Hα-helixtrans-73-34.7-178.1-56.7-57.9-20.700112.7P228 T300 L305 L306P228-Q302 HydrophobicContact CB-CB 3.62Å; P228-Q302 HydrophobicContact CB-CG 3.89Å; P228-Q302 HydrophobicContact CG-CB 3.64Å; P228-Q302 HydrophobicContact CG-CG 4.02Å; T300-Q302 PolarHBondContact O-N 3.23Å; Q302-L305 WeakPolarHBondContact O-CB 3.2Å; Q302-L305 PolarHBondContact O-N 2.9Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.44Å; Q302-L306 VanDerWaalsContact O-N 3.11Å
303E96.1Very high91.2Very high1 Ų118.7 Ų18.71%0.00510%0.095CC..Hα-helixtrans-70.8-37.5174.9-68.9171.2121.300112F25 R141 Y197 Y226 L299 T300 L306 S307F25-E303 HydrophobicContact CD1-CB 4.1Å; F25-E303 HydrophobicContact CD1-CG 4.46Å; F25-E303 HydrophobicContact CE1-CB 3.59Å; F25-E303 HydrophobicContact CE1-CG 3.55Å; F25-E303 HydrophobicContact CZ-CB 4.28Å; F25-E303 HydrophobicContact CZ-CG 3.75Å; R141-E303 IonicContact CZ-OE1 3.19Å; R141-E303 IonicContact CZ-OE2 2.7Å; R141-E303 IonicContact NH1-OE1 2.97Å; R141-E303 PolarHBondContact NH1-OE1 2.83Å; R141-E303 IonicContact NH1-OE2 3.59Å; R141-E303 PolarHBondContact NH1-OE2 2.84Å; R141-E303 IonicContact NH2-OE1 2.84Å; R141-E303 IonicContact NH2-OE2 3.63Å; R141-E303 PolarHBondContact NH2-OE2 3.19Å; Y197-E303 PolarHBondContact OH-OE2 2.89Å; Y197-E303 VanDerWaalsContact OH-OE2 3.14Å; Y226-E303 HydrophobicContact CD1-CG 3.87Å; L299-E303 HydrophobicContact CB-CB 3.99Å; L299-E303 HydrophobicContact CD2-CB 3.99Å; L299-E303 HydrophobicContact CD2-CG 4.49Å; L299-E303 HydrophobicContact CG-CB 4.43Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.35Å; T300-E303 PolarHBondContact N-OE2 3.13Å; T300-E303 PolarHBondContact O-N 3.04Å; T300-E303 VanDerWaalsContact O-N 3.09Å; T300-E303 VanDerWaalsContact OG1-CG 3.23Å; T300-E303 WeakPolarHBondContact OG1-CG 3.18Å; T300-E303 PolarHBondContact OG1-N 3.49Å; T300-E303 PolarHBondContact OG1-OE2 3.29Å; E303-L306 PolarHBondContact O-N 2.88Å; E303-S307 PolarHBondContact O-N 3.49Å; E303-S307 VanDerWaalsContact O-N 3.13Å; E303-S307 PolarHBondContact O-OG 3.05Å
304R96.7Very high92.8Very high0 Ų017.3 Ų17.30%08%0.08CC..Hα-helixtrans-66.4-42172.7-68.1-176.4-68.6102.9-4.9111.1T256 Y283 D285 L299 T300 L301 L306 S307 V308T256-R304 WeakPolarHBondContact O-CD 3.28Å; T256-R304 PolarHBondContact O-NH1 3.42Å; Y283-R304 VanDerWaalsContact O-CZ 3.3Å; Y283-R304 PolarHBondContact O-NH1 3.01Å; Y283-R304 PolarHBondContact O-NH2 3.42Å; D285-R304 IonicContact OD1-CZ 3.82Å; D285-R304 IonicContact OD1-NE 3.26Å; D285-R304 IonicContact OD1-NH2 3.47Å; D285-R304 PolarHBondContact OD1-NH2 3.11Å; L299-R304 HydrophobicContact CB-CG 3.58Å; L299-R304 HydrophobicContact CD1-CG 4.45Å; L299-R304 PolarHBondContact O-NE 3.17Å; T300-R304 WeakPolarHBondContact O-CG 3.39Å; T300-R304 PolarHBondContact O-N 3.12Å; L301-R304 VanDerWaalsContact CA-NH2 3.31Å; L301-R304 PolarHBondContact O-N 2.65Å; R304-L306 PolarHBondContact O-N 3.38Å; R304-S307 PolarHBondContact O-N 2.92Å; R304-S307 VanDerWaalsContact O-N 3.12Å; R304-V308 WeakPolarHBondContact O-CG2 3.23Å; R304-V308 PolarHBondContact O-N 2.73Å
305L97.8Very high94.2Very high3 Ų315.9 Ų15.92%0.0168%0.079CC..Hα-helixtrans-52.8-53.3172.5175.364000111I233 L282 L301 Q302 S307 V308 L309 V317 I319I233-L305 HydrophobicContact CD1-CD2 4.24Å; I233-L305 HydrophobicContact CG1-CD2 4.46Å; I233-L305 HydrophobicContact CG2-CD2 4.39Å; L282-L305 VanDerWaalsContact CD1-CA 3.48Å; L282-L305 HydrophobicContact CD1-CB 3.98Å; L282-L305 HydrophobicContact CD1-CD1 4.06Å; L301-L305 VanDerWaalsContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CB 3.38Å; L301-L305 PolarHBondContact O-N 3.16Å; Q302-L305 WeakPolarHBondContact O-CB 3.2Å; Q302-L305 PolarHBondContact O-N 2.9Å; L305-S307 VanDerWaalsContact C-N 3.26Å; L305-S307 PolarHBondContact O-N 3.49Å; L305-V308 PolarHBondContact O-N 2.7Å; L305-L309 HydrophobicContact CD1-CD1 3.76Å; L305-L309 HydrophobicContact CD1-CD2 4.17Å; L305-L309 HydrophobicContact CD1-CG 3.78Å; L305-L309 HydrophobicContact CD2-CD1 4.41Å; L305-L309 HydrophobicContact CG-CD1 3.71Å; L305-L309 HydrophobicContact CG-CG 4.15Å; L305-L309 WeakPolarHBondContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.39Å; L305-L309 PolarHBondContact O-N 2.71Å; L305-V317 HydrophobicContact CD1-CB 4.08Å; L305-V317 HydrophobicContact CD1-CG1 3.68Å; L305-V317 HydrophobicContact CD1-CG2 4.45Å; L305-I319 HydrophobicContact CD1-CD1 4.27Å; L305-I319 HydrophobicContact CD1-CG1 3.98Å; L305-I319 HydrophobicContact CD2-CD1 3.54Å; L305-I319 HydrophobicContact CD2-CG1 3.98Å
306L97.8Very high95.1Very high1 Ų116.9 Ų16.91%0.0058%0.084CC..Hα-helixtrans-61.1-35.9178.8-65.2173.8000112.8F25 Y226 R232 I233 F236 Q302 E303 R304 A310F25-L306 HydrophobicContact CB-CB 3.49Å; F25-L306 VanDerWaalsContact CB-CB 3.49Å; F25-L306 HydrophobicContact CB-CD1 4.4Å; F25-L306 HydrophobicContact CD2-CB 4.36Å; F25-L306 HydrophobicContact CD2-CD1 3.71Å; F25-L306 HydrophobicContact CE2-CD1 4.16Å; F25-L306 HydrophobicContact CG-CB 3.94Å; F25-L306 HydrophobicContact CG-CD1 4.09Å; Y226-L306 HydrophobicContact CE1-CD1 3.81Å; Y226-L306 WeakPolarHBondContact OH-CD1 3.27Å; R232-L306 HydrophobicContact CG-CD1 4.04Å; R232-L306 HydrophobicContact CG-CD2 4.06Å; I233-L306 HydrophobicContact CG1-CD2 4.16Å; F236-L306 HydrophobicContact CB-CD2 3.96Å; F236-L306 HydrophobicContact CD1-CB 4.06Å; F236-L306 HydrophobicContact CD1-CD2 3.91Å; F236-L306 WeakPolarHBondContact CD1-O 3.39Å; F236-L306 HydrophobicContact CD2-CD2 4.13Å; F236-L306 HydrophobicContact CE1-CB 4.05Å; F236-L306 HydrophobicContact CE1-CD2 4.44Å; F236-L306 VanDerWaalsContact CE1-O 3.23Å; F236-L306 WeakPolarHBondContact CE1-O 3.48Å; F236-L306 HydrophobicContact CG-CD2 3.73Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.44Å; Q302-L306 VanDerWaalsContact O-N 3.11Å; E303-L306 PolarHBondContact O-N 2.88Å; R304-L306 PolarHBondContact O-N 3.38Å; L306-A310 PolarHBondContact O-N 2.95Å
307S97.4Very high96Very high6 Ų617.1 Ų17.14%0.0428%0.083CC..Hα-helixtrans-68.3-39.5177.9-55.10000111.9E303 R304 L305E303-S307 PolarHBondContact O-N 3.49Å; E303-S307 VanDerWaalsContact O-N 3.13Å; E303-S307 PolarHBondContact O-OG 3.05Å; R304-S307 PolarHBondContact O-N 2.92Å; R304-S307 VanDerWaalsContact O-N 3.12Å; L305-S307 VanDerWaalsContact C-N 3.26Å; L305-S307 PolarHBondContact O-N 3.49Å
308V97.8Very high96.4Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-70.7-44.1176.4169.50000111.5F257 F260 V280 L282 R304 L305 A310 C311 V314 V317F257-V308 HydrophobicContact CB-CG2 3.64Å; F257-V308 HydrophobicContact CD1-CG2 4.44Å; F257-V308 HydrophobicContact CG-CG2 4.06Å; F260-V308 HydrophobicContact CD2-CG2 4.1Å; F260-V308 HydrophobicContact CE2-CG2 4.25Å; V280-V308 HydrophobicContact CB-CG1 4.18Å; V280-V308 HydrophobicContact CG1-CG1 3.94Å; V280-V308 HydrophobicContact CG2-CG1 4.36Å; L282-V308 HydrophobicContact CD1-CB 4.3Å; L282-V308 HydrophobicContact CD1-CG2 4.25Å; L282-V308 HydrophobicContact CD2-CG2 3.86Å; R304-V308 WeakPolarHBondContact O-CG2 3.23Å; R304-V308 PolarHBondContact O-N 2.73Å; L305-V308 PolarHBondContact O-N 2.7Å; V308-A310 PolarHBondContact O-N 2.83Å; V308-C311 WeakPolarHBondContact O-CB 3.23Å; V308-C311 PolarHBondContact O-N 3.33Å; V308-V314 HydrophobicContact CG1-CB 4.49Å; V308-V314 HydrophobicContact CG1-CG1 3.99Å; V308-V314 HydrophobicContact CG1-CG2 3.97Å; V308-V317 HydrophobicContact CG1-CG2 3.82Å
309L97.4Very high96.7Very high4 Ų421.5 Ų21.52%0.02111%0.105CC..Hα-helixtrans-62.7-21177.3-68.5174.6000113.4K73 I233 F236 F241 L305 C311 V317K73-L309 VanDerWaalsContact CE-O 3.31Å; K73-L309 WeakPolarHBondContact CE-O 3.49Å; K73-L309 PolarHBondContact NZ-O 3.17Å; I233-L309 HydrophobicContact CG2-CD1 4.42Å; F236-L309 HydrophobicContact CB-CB 4.12Å; F236-L309 HydrophobicContact CB-CD1 4.05Å; F236-L309 HydrophobicContact CD1-CB 4.28Å; F241-L309 HydrophobicContact CE1-CD2 3.62Å; F241-L309 HydrophobicContact CE2-CD2 3.83Å; F241-L309 HydrophobicContact CZ-CB 4.32Å; F241-L309 HydrophobicContact CZ-CD2 3.2Å; F241-L309 HydrophobicContact CZ-CG 4.34Å; L305-L309 HydrophobicContact CD1-CD1 3.76Å; L305-L309 HydrophobicContact CD1-CD2 4.17Å; L305-L309 HydrophobicContact CD1-CG 3.78Å; L305-L309 HydrophobicContact CD2-CD1 4.41Å; L305-L309 HydrophobicContact CG-CD1 3.71Å; L305-L309 HydrophobicContact CG-CG 4.15Å; L305-L309 WeakPolarHBondContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.39Å; L305-L309 PolarHBondContact O-N 2.71Å; L309-C311 VanDerWaalsContact C-N 3.33Å; L309-V317 HydrophobicContact CD2-CB 4.41Å; L309-V317 HydrophobicContact CD2-CG2 3.74Å
310A97.4Very high96.8Very high1 Ų125.7 Ų25.71%0.00813%0.127CC..THydrogen-bonded Turntrans-76.9-19.3175.400000113.5A28 M72 K73 W74 F236 L306 V308A28-A310 HydrophobicContact CB-CB 3.56Å; M72-A310 WeakPolarHBondContact CA-O 3.49Å; M72-A310 HydrophobicContact CE-CB 4.12Å; M72-A310 HydrophobicContact SD-CB 3.75Å; K73-A310 PolarHBondContact N-O 3.09Å; W74-A310 HydrophobicContact CZ3-CB 3.87Å; F236-A310 HydrophobicContact CD1-CB 4.41Å; F236-A310 HydrophobicContact CE1-CB 4.1Å; L306-A310 PolarHBondContact O-N 2.95Å; V308-A310 PolarHBondContact O-N 2.83Å
311C97.6Very high97Very high0 Ų024.6 Ų24.60%012%0.12CC..BIsolated β-bridgetrans-78.5123.2-179.5-175.30000110.9F260 V308 L309 Y313 V314F260-C311 HydrophobicContact CZ-CB 4.04Å; V308-C311 WeakPolarHBondContact O-CB 3.23Å; V308-C311 PolarHBondContact O-N 3.33Å; L309-C311 VanDerWaalsContact C-N 3.33Å; C311-Y313 PolarHBondContact O-N 2.8Å; C311-Y313 VanDerWaalsContact O-N 3.13Å; C311-V314 HydrophobicContact CB-CG2 3.97Å; C311-V314 PolarHBondContact O-N 3.33Å
312R96.6Very high97Very high96 Ų9626 Ų2636%0.36213%0.131SC..THydrogen-bonded Turntrans-63.4-19.8-176.572.417954.4179.3-8.4114.7R70 A71 M72 K73 V75 Q240R70-R312 PolarHBondContact O-NE 3.2Å; R70-R312 VanDerWaalsContact O-NE 3.09Å; R70-R312 PolarHBondContact O-NH1 2.89Å; R70-R312 PolarHBondContact O-NH2 3.16Å; A71-R312 WeakPolarHBondContact O-CB 3.36Å; A71-R312 WeakPolarHBondContact O-CG 3.47Å; A71-R312 PolarHBondContact O-N 3.01Å; M72-R312 PolarHBondContact O-NH2 3.14Å; K73-R312 HydrophobicContact CB-CB 4Å; V75-R312 PolarHBondContact O-NH2 3.48Å; Q240-R312 VanDerWaalsContact NE2-C 3.33Å; Q240-R312 PolarHBondContact NE2-O 2.94Å
313Y97Very high96.9Very high57 Ų5723.9 Ų23.922%0.22412%0.12CC..THydrogen-bonded Turntrans-82.7-16.4-178-54.8-37.9000113.1A71 L265 E269 L272 C311A71-Y313 HydrophobicContact CB-CE2 4.35Å; L265-Y313 HydrophobicContact CD1-CD2 3.64Å; L265-Y313 HydrophobicContact CD1-CE2 3.38Å; L265-Y313 HydrophobicContact CG-CE2 4.37Å; E269-Y313 HydrophobicContact CG-CD2 3.94Å; E269-Y313 HydrophobicContact CG-CE2 3.28Å; E269-Y313 WeakPolarHBondContact OE1-CE2 3.24Å; E269-Y313 PolarHBondContact OE1-OH 2.74Å; L272-Y313 HydrophobicContact CD1-CD1 3.56Å; L272-Y313 HydrophobicContact CD1-CD2 4.34Å; L272-Y313 HydrophobicContact CD1-CE1 4.17Å; L272-Y313 HydrophobicContact CD1-CG 3.68Å; C311-Y313 PolarHBondContact O-N 2.8Å; C311-Y313 VanDerWaalsContact O-N 3.13Å
314V97.4Very high96.8Very high0 Ų026.4 Ų26.40%014%0.135CC..  trans-83.7122-177.3179.10000109.5Q240 F241 L268 V280 V308 C311 V317Q240-V314 PolarHBondContact NE2-O 2.85Å; Q240-V314 VanDerWaalsContact NE2-O 3.12Å; F241-V314 HydrophobicContact CE1-CG1 4.47Å; L268-V314 HydrophobicContact CD1-CG2 4.12Å; V280-V314 HydrophobicContact CB-CG1 4.26Å; V280-V314 HydrophobicContact CG2-CB 4.46Å; V280-V314 HydrophobicContact CG2-CG1 3.85Å; V280-V314 HydrophobicContact CG2-CG2 3.9Å; V308-V314 HydrophobicContact CG1-CB 4.49Å; V308-V314 HydrophobicContact CG1-CG1 3.99Å; V308-V314 HydrophobicContact CG1-CG2 3.97Å; C311-V314 HydrophobicContact CB-CG2 3.97Å; C311-V314 PolarHBondContact O-N 3.33Å; V314-V317 HydrophobicContact CG1-CG2 3.6Å
315S97Very high96.8Very high23 Ų2326.5 Ų26.516%0.16114%0.136CC..  trans-91.3-36-177.3-500000112.5F241 L278F241-S315 WeakPolarHBondContact CD1-O 3.21Å; L278-S315 PolarHBondContact N-OG 3.23Å; L278-S315 WeakPolarHBondContact O-CB 3.07Å; L278-S315 PolarHBondContact O-N 3.26Å
316N96.9Very high96.8Very high31 Ų3128.3 Ų28.317%0.16615%0.148CC..EExtended strand (participates in β ladder)trans-158.4159.7177.4-163.3-5.4000110.8Y277 L278 L279 V280Y277-N316 HydrophobicContact CE1-CB 4.14Å; Y277-N316 WeakPolarHBondContact OH-CB 3.46Å; Y277-N316 PolarHBondContact OH-ND2 3.05Å; L278-N316 PolarHBondContact O-N 3.27Å; L279-N316 HydrophobicContact CD1-CB 3.73Å; V280-N316 PolarHBondContact N-O 3.49Å
317V97.7Very high96.8Very high16 Ų1631 Ų3110%0.09717%0.166CC..EExtended strand (participates in β ladder)trans-133.4123.7-177.2-174.40000110.9V280 L282 L305 V308 L309 V314V280-V317 HydrophobicContact CB-CG2 4.43Å; V280-V317 CarbonylContact O-C 3.51Å; V280-V317 WeakPolarHBondContact O-CA 3.49Å; L282-V317 HydrophobicContact CB-CG1 4.42Å; L282-V317 HydrophobicContact CD1-CG1 3.68Å; L282-V317 HydrophobicContact CG-CG1 3.87Å; L305-V317 HydrophobicContact CD1-CB 4.08Å; L305-V317 HydrophobicContact CD1-CG1 3.68Å; L305-V317 HydrophobicContact CD1-CG2 4.45Å; V308-V317 HydrophobicContact CG1-CG2 3.82Å; L309-V317 HydrophobicContact CD2-CB 4.41Å; L309-V317 HydrophobicContact CD2-CG2 3.74Å; V314-V317 HydrophobicContact CG1-CG2 3.6Å
318I97.7Very high96.9Very high28 Ų2834.6 Ų34.614%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-84.4117.1165-56.3179.7000107.9Y252 L279 V280 L282 A321 L329 F333Y252-I318 HydrophobicContact CD2-CD1 4.5Å; Y252-I318 HydrophobicContact CE2-CD1 3.88Å; L279-I318 HydrophobicContact CD1-CD1 4.45Å; L279-I318 HydrophobicContact CD1-CG1 3.96Å; L279-I318 HydrophobicContact CD2-CD1 4.03Å; L279-I318 HydrophobicContact CD2-CG1 4.44Å; L279-I318 HydrophobicContact CG-CD1 4.28Å; L279-I318 HydrophobicContact CG-CG1 4.24Å; V280-I318 PolarHBondContact O-N 2.63Å; L282-I318 PolarHBondContact N-O 2.78Å; I318-A321 HydrophobicContact CB-CB 4.33Å; I318-A321 HydrophobicContact CG2-CB 4.05Å; I318-L329 HydrophobicContact CD1-CD1 3.8Å; I318-L329 HydrophobicContact CD1-CD2 4.11Å; I318-L329 HydrophobicContact CD1-CG 3.95Å; I318-F333 HydrophobicContact CD1-CD2 3.89Å; I318-F333 HydrophobicContact CD1-CE2 3.45Å; I318-F333 VanDerWaalsContact CD1-CE2 3.45Å; I318-F333 HydrophobicContact CD1-CZ 4.16Å; I318-F333 HydrophobicContact CG1-CE2 3.98Å; I318-F333 HydrophobicContact CG1-CZ 4.19Å
319I96.7Very high96.8Very high82 Ų8235.5 Ų35.542%0.42120%0.195SC..EExtended strand (participates in β ladder)trans-83.3135.3176.9-58170000108.9L301 L305 A321L301-I319 HydrophobicContact CD1-CG2 4.47Å; L301-I319 HydrophobicContact CD2-CG2 3.79Å; L301-I319 HydrophobicContact CG-CG2 4.19Å; L305-I319 HydrophobicContact CD1-CD1 4.27Å; L305-I319 HydrophobicContact CD1-CG1 3.98Å; L305-I319 HydrophobicContact CD2-CD1 3.54Å; L305-I319 HydrophobicContact CD2-CG1 3.98Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.37Å
320D96.2Very high96.9Very high90 Ų9035.4 Ų35.448%0.48120%0.195SC..THydrogen-bonded Turntrans54.449.7-175-161.110.6000112.2L282 S284 L301L282-D320 CarbonylContact O-C 3.43Å; L282-D320 VanDerWaalsContact O-CA 3.29Å; L282-D320 WeakPolarHBondContact O-CA 3.24Å; L282-D320 PolarHBondContact O-N 3.37Å; S284-D320 WeakPolarHBondContact CB-OD1 3.41Å; S284-D320 PolarHBondContact OG-OD1 3.37Å; L301-D320 HydrophobicContact CD2-CB 4.03Å
321A97.2Very high96.9Very high0 Ų039.8 Ų39.80%022%0.218CC..  trans-58.7137.5179.200000111Y252 L282 Y283 I318 I319Y252-A321 WeakPolarHBondContact OH-CB 3.27Å; L282-A321 PolarHBondContact O-N 3.05Å; Y283-A321 HydrophobicContact CD1-CB 4.38Å; Y283-A321 WeakPolarHBondContact CD1-O 3.48Å; I318-A321 HydrophobicContact CB-CB 4.33Å; I318-A321 HydrophobicContact CG2-CB 4.05Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.37Å
322P95Very high96.9Very high49 Ų4946.6 Ų46.632%0.31825%0.249SC..  trans-66.4141.2-178.629-36000110.8P326 L329P322-P326 HydrophobicContact CG-CG 4.22Å; P322-L329 HydrophobicContact CG-CD1 3.78Å
323Y93.4Very high96.9Very high14 Ų1443.6 Ų43.66%0.05524%0.239CC..SBendtrans-65.7-50.9178.1-170.3-119.3000111.6Y283 T287 F290 L346 T347 T349 P355Y283-Y323 HydrophobicContact CE1-CD2 4.34Å; Y283-Y323 HydrophobicContact CE2-CD2 4.2Å; Y283-Y323 HydrophobicContact CE2-CE2 4.42Å; Y283-Y323 AromaticContact CZ-CD2 3.97Å; T287-Y323 HydrophobicContact CG2-CD2 3.89Å; T287-Y323 HydrophobicContact CG2-CG 4.05Å; F290-Y323 HydrophobicContact CB-CD1 4.35Å; F290-Y323 HydrophobicContact CB-CD2 4.17Å; F290-Y323 HydrophobicContact CB-CE1 3.94Å; F290-Y323 HydrophobicContact CB-CE2 3.75Å; F290-Y323 HydrophobicContact CB-CG 4.46Å; F290-Y323 HydrophobicContact CD2-CD1 4.16Å; F290-Y323 HydrophobicContact CD2-CD2 4.38Å; F290-Y323 HydrophobicContact CD2-CG 4.08Å; F290-Y323 HydrophobicContact CG-CE1 4.5Å; F290-Y323 PolarHBondContact O-OH 3.14Å; Y323-L346 HydrophobicContact CE2-CD2 4.3Å; Y323-T347 VanDerWaalsContact CE1-O 3.29Å; Y323-T347 WeakPolarHBondContact CE1-O 3.43Å; Y323-T347 PolarHBondContact OH-N 3.35Å; Y323-T347 VanDerWaalsContact OH-N 3.17Å; Y323-T347 PolarHBondContact OH-O 2.98Å; Y323-T349 HydrophobicContact CD1-CG2 4.13Å; Y323-T349 HydrophobicContact CE1-CG2 4.5Å; Y323-P355 HydrophobicContact CD1-CB 3.9Å; Y323-P355 HydrophobicContact CD1-CG 4.34Å; Y323-P355 HydrophobicContact CE1-CB 3.78Å; Y323-P355 HydrophobicContact CE1-CG 3.69Å; Y323-P355 HydrophobicContact CG-CB 4.36Å; Y323-P355 WeakPolarHBondContact O-CB 3.39Å
324V95Very high96.9Very high53 Ų5345.5 Ų45.532%0.32125%0.253SS..SBendtrans-82.6117.7169.9-177.50000107.5P326 T349 L353 P355V324-P326 WeakPolarHBondContact O-CD 3.2Å; V324-T349 HydrophobicContact CG2-CG2 3.35Å; V324-L353 HydrophobicContact CG2-CB 4.48Å; V324-P355 HydrophobicContact CG2-CB 4.45Å
325I96.5Very high96.9Very high2 Ų246.1 Ų46.11%0.0126%0.257CS..  trans-77.6113.5-174.3-60.1172.2000109.2Y252 P254 L329 L330 V338 P355 M356Y252-I325 HydrophobicContact CD1-CD1 4.22Å; Y252-I325 HydrophobicContact CE1-CD1 3.81Å; Y252-I325 HydrophobicContact CE1-CG1 4.14Å; Y252-I325 HydrophobicContact CE1-CG2 4.44Å; P254-I325 HydrophobicContact CG-CD1 4.17Å; I325-L329 HydrophobicContact CG2-CD2 4.39Å; I325-L330 HydrophobicContact CG2-CD1 4.15Å; I325-L330 HydrophobicContact CG2-CD2 3.74Å; I325-L330 HydrophobicContact CG2-CG 3.79Å; I325-V338 HydrophobicContact CD1-CG1 3.94Å; I325-P355 PolarHBondContact N-O 3.3Å; I325-M356 HydrophobicContact CD1-CE 3.72Å; I325-M356 HydrophobicContact CD1-SD 3.6Å; I325-M356 VanDerWaalsContact CD1-SD 3.6Å
326P97.2Very high97Very high42 Ų4247.7 Ų47.727%0.27326%0.264SS..  trans-76148.2178.432-33.5000110.6P322 V324 S328 L329P322-P326 HydrophobicContact CG-CG 4.22Å; V324-P326 WeakPolarHBondContact O-CD 3.2Å; P326-S328 PolarHBondContact O-N 2.9Å; P326-L329 HydrophobicContact CG-CB 3.78Å; P326-L329 PolarHBondContact O-N 3.5Å; P326-L329 VanDerWaalsContact O-N 3.15Å
327P98.2Very high97.1Very high58 Ų5849.7 Ų49.738%0.37727%0.269SS..Hα-helixtrans-52.7-39.8173.9-26.134.2000112.9L329 L330 D331 V358P327-L329 VanDerWaalsContact C-N 3.29Å; P327-L329 PolarHBondContact O-N 2.82Å; P327-L330 WeakPolarHBondContact O-CB 3.39Å; P327-L330 PolarHBondContact O-N 2.83Å; P327-D331 PolarHBondContact O-N 3.24Å; P327-D331 VanDerWaalsContact O-OD2 3.08Å; P327-V358 HydrophobicContact CB-CG1 4.34Å; P327-V358 HydrophobicContact CG-CG1 3.95Å; P327-V358 HydrophobicContact CG-CG2 3.99Å
328S98.1Very high97.1Very high81 Ų8148.9 Ų48.957%0.56627%0.265SS*.Hα-helixtrans-61-32.6-17955.30000114P326 H332P326-S328 PolarHBondContact O-N 2.9Å; S328-H332 WeakPolarHBondContact O-CB 3.41Å; S328-H332 PolarHBondContact O-N 3.19Å
329L97.8Very high97.2Very high18 Ų1847.6 Ų47.69%0.09426%0.258CS..Hα-helixtrans-68.1-44.4174.6179.3159.4000110.4Y252 I318 P322 I325 P326 P327 D331 F333Y252-L329 HydrophobicContact CD1-CD2 4.28Å; Y252-L329 HydrophobicContact CE1-CD2 4.07Å; Y252-L329 HydrophobicContact CE2-CD2 4.37Å; I318-L329 HydrophobicContact CD1-CD1 3.8Å; I318-L329 HydrophobicContact CD1-CD2 4.11Å; I318-L329 HydrophobicContact CD1-CG 3.95Å; P322-L329 HydrophobicContact CG-CD1 3.78Å; I325-L329 HydrophobicContact CG2-CD2 4.39Å; P326-L329 HydrophobicContact CG-CB 3.78Å; P326-L329 PolarHBondContact O-N 3.5Å; P326-L329 VanDerWaalsContact O-N 3.15Å; P327-L329 VanDerWaalsContact C-N 3.29Å; P327-L329 PolarHBondContact O-N 2.82Å; L329-D331 VanDerWaalsContact C-N 3.33Å; L329-F333 HydrophobicContact CG-CD2 4.4Å; L329-F333 WeakPolarHBondContact O-CD2 3.35Å; L329-F333 PolarHBondContact O-N 3.27Å
330L98.2Very high97.1Very high2 Ų243.7 Ų43.71%0.0124%0.238CC..Hα-helixtrans-62.9-42.7178.7-60.4174.5000111.1I325 P327 N334 V335 V338 V358 I364I325-L330 HydrophobicContact CG2-CD1 4.15Å; I325-L330 HydrophobicContact CG2-CD2 3.74Å; I325-L330 HydrophobicContact CG2-CG 3.79Å; P327-L330 WeakPolarHBondContact O-CB 3.39Å; P327-L330 PolarHBondContact O-N 2.83Å; L330-N334 PolarHBondContact O-N 2.95Å; L330-N334 VanDerWaalsContact O-N 3.15Å; L330-V335 HydrophobicContact CB-CB 4.38Å; L330-V335 HydrophobicContact CD2-CB 3.88Å; L330-V335 HydrophobicContact CD2-CG1 3.88Å; L330-V335 HydrophobicContact CD2-CG2 4.09Å; L330-V335 PolarHBondContact O-N 3.3Å; L330-V338 HydrophobicContact CD2-CG2 3.74Å; L330-V358 HydrophobicContact CD1-CG1 3.77Å; L330-I364 HydrophobicContact CD1-CD1 4.04Å; L330-I364 HydrophobicContact CD2-CD1 4.27Å
331D97.8Very high97Very high93 Ų9340.1 Ų40.150%0.49722%0.222SC..Hα-helixtrans-71.4-42.6-179.2-60.2-29.4000111.6P327 L329 F333 N334 R362P327-D331 PolarHBondContact O-N 3.24Å; P327-D331 VanDerWaalsContact O-OD2 3.08Å; L329-D331 VanDerWaalsContact C-N 3.33Å; D331-F333 VanDerWaalsContact C-N 3.35Å; D331-F333 PolarHBondContact O-N 3.15Å; D331-N334 PolarHBondContact O-N 3.03Å; D331-R362 IonicContact OD1-CZ 3.27Å; D331-R362 VanDerWaalsContact OD1-CZ 3.27Å; D331-R362 IonicContact OD1-NH1 3.89Å; D331-R362 PolarHBondContact OD1-NH1 3.11Å; D331-R362 IonicContact OD1-NH2 2.95Å; D331-R362 PolarHBondContact OD1-NH2 3.01Å; D331-R362 IonicContact OD2-NH2 3.05Å; D331-R362 PolarHBondContact OD2-NH2 3.12Å
332H96.7Very high96.6Very high143 Ų14348.2 Ų48.266%0.66225%0.253SS*.Hα-helixtrans-59.8-42.1-179.8-179.877.7000112.9S328S328-H332 WeakPolarHBondContact O-CB 3.41Å; S328-H332 PolarHBondContact O-N 3.19Å
333F96.7Very high95.8Very high33 Ų3351.2 Ų51.215%0.14527%0.266CS..THydrogen-bonded Turntrans-956.1179.6-68.7-72.3000113.9L279 I318 L329 D331 V335L279-F333 HydrophobicContact CD1-CD1 4.49Å; L279-F333 HydrophobicContact CD1-CE1 4.5Å; L279-F333 HydrophobicContact CD2-CB 3.61Å; L279-F333 HydrophobicContact CD2-CD1 3.89Å; L279-F333 HydrophobicContact CD2-CD2 3.75Å; L279-F333 HydrophobicContact CD2-CE1 4.5Å; L279-F333 HydrophobicContact CD2-CE2 4.38Å; L279-F333 HydrophobicContact CD2-CG 3.47Å; L279-F333 VanDerWaalsContact CD2-CG 3.47Å; I318-F333 HydrophobicContact CD1-CD2 3.89Å; I318-F333 HydrophobicContact CD1-CE2 3.45Å; I318-F333 VanDerWaalsContact CD1-CE2 3.45Å; I318-F333 HydrophobicContact CD1-CZ 4.16Å; I318-F333 HydrophobicContact CG1-CE2 3.98Å; I318-F333 HydrophobicContact CG1-CZ 4.19Å; L329-F333 HydrophobicContact CG-CD2 4.4Å; L329-F333 WeakPolarHBondContact O-CD2 3.35Å; L329-F333 PolarHBondContact O-N 3.27Å; D331-F333 VanDerWaalsContact C-N 3.35Å; D331-F333 PolarHBondContact O-N 3.15Å; F333-V335 VanDerWaalsContact C-N 3.32Å; F333-V335 HydrophobicContact CB-CG2 4.01Å; F333-V335 PolarHBondContact O-N 2.82Å
334N97Very high95.1Very high98 Ų9852 Ų5252%0.52427%0.27SS..THydrogen-bonded Turntrans49.749.3-176.2-169.434.1000112.9L330 D331 N336L330-N334 PolarHBondContact O-N 2.95Å; L330-N334 VanDerWaalsContact O-N 3.15Å; D331-N334 PolarHBondContact O-N 3.03Å; N334-N336 PolarHBondContact O-N 3.27Å; N334-N336 PolarHBondContact O-OD1 3.29Å
335V98.4Very high94.2Very high13 Ų1355 Ų558%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-67.4119.2-174176.40000111V250 L330 F333 Y337 V338V250-V335 HydrophobicContact CG1-CG2 4.19Å; L330-V335 HydrophobicContact CB-CB 4.38Å; L330-V335 HydrophobicContact CD2-CB 3.88Å; L330-V335 HydrophobicContact CD2-CG1 3.88Å; L330-V335 HydrophobicContact CD2-CG2 4.09Å; L330-V335 PolarHBondContact O-N 3.3Å; F333-V335 VanDerWaalsContact C-N 3.32Å; F333-V335 HydrophobicContact CB-CG2 4.01Å; F333-V335 PolarHBondContact O-N 2.82Å; V335-Y337 VanDerWaalsContact CG1-O 3.28Å; V335-Y337 WeakPolarHBondContact CG1-O 3.4Å; V335-V338 HydrophobicContact CG1-CG2 3.9Å
336N98.6Very high93.4Very high55 Ų5556.3 Ų56.329%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-84-39.7176.4-56.695.7000112.2I249 V250 N334 I364I249-N336 WeakPolarHBondContact CA-OD1 3.48Å; I249-N336 HydrophobicContact CG2-CB 3.85Å; V250-N336 PolarHBondContact N-OD1 3.37Å; V250-N336 PolarHBondContact O-N 3.08Å; N334-N336 PolarHBondContact O-N 3.27Å; N334-N336 PolarHBondContact O-OD1 3.29Å; N336-I364 WeakPolarHBondContact O-CB 3.15Å; N336-I364 WeakPolarHBondContact O-CG2 3.29Å
337Y98.7Very high92.7Very high73 Ų7356.7 Ų56.729%0.28629%0.293SS..EExtended strand (participates in β ladder)trans-137.6143.3-180-59.2-59.5000111.6I249 V250 V251 Y252 L274 V335 I364 R366I249-Y337 HydrophobicContact CG2-CD2 4.02Å; I249-Y337 HydrophobicContact CG2-CE2 3.89Å; V250-Y337 PolarHBondContact O-N 3.49Å; V251-Y337 CarbonylContact C-O 3.59Å; V251-Y337 WeakPolarHBondContact CA-O 3.38Å; Y252-Y337 PolarHBondContact N-O 3.23Å; L274-Y337 HydrophobicContact CB-CD2 4.02Å; V335-Y337 VanDerWaalsContact CG1-O 3.28Å; V335-Y337 WeakPolarHBondContact CG1-O 3.4Å; Y337-I364 WeakPolarHBondContact CA-O 3.39Å; Y337-R366 HydrophobicContact CD1-CG 4.1Å; Y337-R366 HydrophobicContact CG-CG 4.37Å
338V98.6Very high92.1Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-107.7115.5168.2178.90000108.1Y252 P254 I325 L330 V335 M356 C359 I364 L365 R366Y252-V338 HydrophobicContact CD1-CG1 4.18Å; Y252-V338 HydrophobicContact CD1-CG2 4.19Å; Y252-V338 CarbonylContact O-C 3.55Å; Y252-V338 WeakPolarHBondContact O-CA 3.3Å; P254-V338 HydrophobicContact CG-CG1 4.18Å; I325-V338 HydrophobicContact CD1-CG1 3.94Å; L330-V338 HydrophobicContact CD2-CG2 3.74Å; V335-V338 HydrophobicContact CG1-CG2 3.9Å; V338-M356 HydrophobicContact CG1-SD 4.16Å; V338-C359 HydrophobicContact CB-CB 4.37Å; V338-C359 HydrophobicContact CG2-CB 4.34Å; V338-I364 HydrophobicContact CG2-CD1 3.98Å; V338-I364 HydrophobicContact CG2-CG1 4.27Å; V338-I364 PolarHBondContact N-O 3.47Å; V338-L365 HydrophobicContact CB-CD1 4.47Å; V338-L365 HydrophobicContact CG1-CD1 4.25Å; V338-L365 CarbonylContact O-C 3.54Å; V338-L365 WeakPolarHBondContact O-CA 3.47Å; V338-R366 PolarHBondContact O-N 3.46Å
339A98.3Very high91.5Very high0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-105.8128.3-175.900000112V251 Y252 V253 L274 R366 I368V251-A339 HydrophobicContact CG1-CB 3.75Å; Y252-A339 PolarHBondContact O-N 3.11Å; V253-A339 HydrophobicContact CG2-CB 4.41Å; L274-A339 HydrophobicContact CD1-CB 4.23Å; A339-R366 WeakPolarHBondContact CA-O 3.32Å; A339-I368 HydrophobicContact CB-CG1 4.14Å
340I96.1Very high90.8Very high1 Ų163.2 Ų63.21%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-128.5155.7173.762.4170.7000110.5P254 K344 L346 M356 L365 R366 R367 I368P254-I340 HydrophobicContact CG-CG2 4.24Å; I340-K344 HydrophobicContact CB-CD 4.25Å; I340-L346 HydrophobicContact CD1-CD1 4.13Å; I340-M356 HydrophobicContact CG2-CE 3.88Å; I340-M356 HydrophobicContact CG2-SD 4.39Å; I340-L365 HydrophobicContact CD1-CD1 4.07Å; I340-L365 HydrophobicContact CG1-CD1 4.1Å; I340-L365 HydrophobicContact CG2-CD1 4.49Å; I340-R366 PolarHBondContact N-O 3.33Å; I340-R367 HydrophobicContact CD1-CG 4.15Å; I340-R367 HydrophobicContact CG1-CG 4.01Å; I340-R367 CarbonylContact O-C 3.55Å; I340-R367 WeakPolarHBondContact O-CA 3.39Å; I340-I368 PolarHBondContact O-N 3.38Å
341G93.2Very high90.3Very high14 Ų1471 Ų7114%0.14436%0.359CS..EExtended strand (participates in β ladder)trans-59.1144.7174.700000112.2D343 K344G341-D343 PolarHBondContact O-N 2.85Å; G341-K344 WeakPolarHBondContact O-CB 3.46Å; G341-K344 PolarHBondContact O-N 2.94Å; G341-K344 VanDerWaalsContact O-N 3.11Å
342W88.3Confident89.9Confident170 Ų17069.1 Ų69.164%0.64436%0.362SS*.THydrogen-bonded Turntrans-53.5-49.4-176.8178.2-98.7000113.2K344 R367 I368 D369W342-K344 VanDerWaalsContact C-N 3.27Å; W342-K344 PolarHBondContact O-N 3.24Å; W342-R367 HydrophobicContact CE3-CB 3.88Å; W342-R367 HydrophobicContact CZ3-CB 4.31Å; W342-R367 PolarHBondContact O-NH1 3.01Å; W342-I368 PolarHBondContact N-O 3.17Å; W342-D369 HydrophobicContact CB-CB 4.31Å
343D78.7Confident89.5Confident113 Ų11365.7 Ų65.760%0.60435%0.348SS*.THydrogen-bonded Turntrans-80.4-2.4-178.765.4-30.4000113.7G341 N345G341-D343 PolarHBondContact O-N 2.85Å; D343-N345 PolarHBondContact O-N 3.3Å
344K79.1Confident89.4Confident31 Ų3166.3 Ų66.314%0.13535%0.353CS..  trans-69.4109.8-174.8-160.9173.7-171.6-179.50110.5P254 E291 I340 G341 W342 L346 R367P254-K344 PolarHBondContact O-NZ 2.96Å; E291-K344 WeakPolarHBondContact OE1-CE 3.39Å; E291-K344 IonicContact OE1-NZ 2.81Å; E291-K344 PolarHBondContact OE1-NZ 3.04Å; E291-K344 IonicContact OE2-NZ 3.09Å; I340-K344 HydrophobicContact CB-CD 4.25Å; G341-K344 WeakPolarHBondContact O-CB 3.46Å; G341-K344 PolarHBondContact O-N 2.94Å; G341-K344 VanDerWaalsContact O-N 3.11Å; W342-K344 VanDerWaalsContact C-N 3.27Å; W342-K344 PolarHBondContact O-N 3.24Å; K344-L346 HydrophobicContact CD-CD2 4.13Å; K344-L346 HydrophobicContact CG-CD2 4.1Å; K344-L346 HydrophobicContact CG-CG 4.42Å; K344-R367 PolarHBondContact O-NH1 2.93Å; K344-R367 PolarHBondContact O-NH2 2.96Å
345N75.6Confident89.2Confident114 Ų11461.7 Ų61.761%0.6133%0.328SS*.  trans-93.1110.5170.1-70.8-32.9000109.3S292 D343S292-N345 WeakPolarHBondContact CB-O 3.28Å; S292-N345 PolarHBondContact OG-O 3.36Å; D343-N345 PolarHBondContact O-N 3.3Å
346L79.3Confident89Confident30 Ų3061.2 Ų61.216%0.15733%0.325CS..BIsolated β-bridgetrans-93.1122.8177-62.2169.2000108.1Y323 I340 K344 P355 M356Y323-L346 HydrophobicContact CE2-CD2 4.3Å; I340-L346 HydrophobicContact CD1-CD1 4.13Å; K344-L346 HydrophobicContact CD-CD2 4.13Å; K344-L346 HydrophobicContact CG-CD2 4.1Å; K344-L346 HydrophobicContact CG-CG 4.42Å; L346-P355 HydrophobicContact CB-CG 3.83Å; L346-P355 HydrophobicContact CD1-CG 4.27Å; L346-M356 HydrophobicContact CD1-CE 3.42Å; L346-M356 VanDerWaalsContact CD1-CE 3.42Å; L346-M356 HydrophobicContact CD1-CG 3.3Å; L346-M356 HydrophobicContact CD1-SD 4.13Å
347T82.7Confident88.9Confident51 Ų5162.5 Ų62.531%0.31333%0.331SS..PPolyproline II helixtrans-75.4142.317459.40000109.2F290 S292 Y323F290-T347 PolarHBondContact O-OG1 3.19Å; S292-T347 VanDerWaalsContact OG-CG2 3.29Å; S292-T347 WeakPolarHBondContact OG-CG2 3.39Å; Y323-T347 VanDerWaalsContact CE1-O 3.29Å; Y323-T347 WeakPolarHBondContact CE1-O 3.43Å; Y323-T347 PolarHBondContact OH-N 3.35Å; Y323-T347 VanDerWaalsContact OH-N 3.17Å; Y323-T347 PolarHBondContact OH-O 2.98Å
348P86.5Confident88.9Confident80 Ų8060 Ų6052%0.51932%0.323SS..PPolyproline II helixtrans-54.6156.5163.8-23.634.4000111.2L353P348-L353 CarbonylContact C-O 3.6Å; P348-L353 VanDerWaalsContact CA-O 3.26Å; P348-L353 WeakPolarHBondContact CA-O 3.41Å
349T85.6Confident88.8Confident35 Ų3560 Ų6022%0.21532%0.323CS..PPolyproline II helixtrans-64.2171170.8670000111Y323 V324 E351 G352 L353Y323-T349 HydrophobicContact CD1-CG2 4.13Å; Y323-T349 HydrophobicContact CE1-CG2 4.5Å; V324-T349 HydrophobicContact CG2-CG2 3.35Å; T349-E351 PolarHBondContact O-N 3.28Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 PolarHBondContact OG1-N 2.97Å; T349-G352 WeakPolarHBondContact O-CA 3.22Å; T349-G352 PolarHBondContact O-N 2.95Å; T349-L353 HydrophobicContact CG2-CB 4.18Å; T349-L353 PolarHBondContact N-O 3.42Å; T349-L353 WeakPolarHBondContact OG1-CB 3.49Å; T349-L353 PolarHBondContact OG1-N 2.86Å; T349-L353 VanDerWaalsContact OG1-N 3.09Å
350L83.2Confident88.8Confident179 Ų17965.2 Ų65.294%0.93735%0.345SS*.THydrogen-bonded Turntrans-56.8-26.4172.3-66.2175.2000112.9G352L350-G352 VanDerWaalsContact C-N 3.27Å
351E87.8Confident88.9Confident164 Ų16471.9 Ų71.977%0.76638%0.377SS*.THydrogen-bonded Turntrans-85.42.8176.2-65.1167-174.900112.7T349 L353T349-E351 PolarHBondContact O-N 3.28Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 PolarHBondContact OG1-N 2.97Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 HydrophobicContact CB-CG 4.25Å
352G88.1Confident89.1Confident54 Ų5475.9 Ų75.956%0.55739%0.387SS*.  trans79.49.6-178.700000114.6T349 L350T349-G352 WeakPolarHBondContact O-CA 3.22Å; T349-G352 PolarHBondContact O-N 2.95Å; L350-G352 VanDerWaalsContact C-N 3.27Å
353L90.2Very high89.6Confident72 Ų7269.9 Ų69.938%0.37738%0.378SS..  trans-75.6130.3-179.5-57.4175.7000110.9V324 P348 T349 E351 P355V324-L353 HydrophobicContact CG2-CB 4.48Å; P348-L353 CarbonylContact C-O 3.6Å; P348-L353 VanDerWaalsContact CA-O 3.26Å; P348-L353 WeakPolarHBondContact CA-O 3.41Å; T349-L353 HydrophobicContact CG2-CB 4.18Å; T349-L353 PolarHBondContact N-O 3.42Å; T349-L353 WeakPolarHBondContact OG1-CB 3.49Å; T349-L353 PolarHBondContact OG1-N 2.86Å; T349-L353 VanDerWaalsContact OG1-N 3.09Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 HydrophobicContact CB-CG 4.25Å; L353-P355 WeakPolarHBondContact O-CD 3.41Å
354D93Very high90.5Very high45 Ų4565.7 Ų65.724%0.24136%0.356CS..  trans-75117.8171.1171.710.8000110M356 M357 K360D354-M356 PolarHBondContact O-N 3.29Å; D354-M356 PolarHBondContact OD1-N 2.88Å; D354-M357 HydrophobicContact CB-CB 4.12Å; D354-M357 VanDerWaalsContact O-CB 3.31Å; D354-M357 WeakPolarHBondContact O-CB 3.47Å; D354-M357 PolarHBondContact O-N 3.19Å; D354-M357 VanDerWaalsContact O-N 3.08Å; D354-K360 IonicContact OD1-NZ 2.66Å; D354-K360 WeakPolarHBondContact OD2-CE 3.13Å; D354-K360 IonicContact OD2-NZ 2.76Å; D354-K360 PolarHBondContact OD2-NZ 2.8Å
355P93.3Very high91.4Very high2 Ų265.7 Ų65.71%0.01336%0.357CS..THydrogen-bonded Turntrans-61.6-19.5-177.624.8-35.3000114.3Y323 V324 I325 L346 L353Y323-P355 HydrophobicContact CD1-CB 3.9Å; Y323-P355 HydrophobicContact CD1-CG 4.34Å; Y323-P355 HydrophobicContact CE1-CB 3.78Å; Y323-P355 HydrophobicContact CE1-CG 3.69Å; Y323-P355 HydrophobicContact CG-CB 4.36Å; Y323-P355 WeakPolarHBondContact O-CB 3.39Å; V324-P355 HydrophobicContact CG2-CB 4.45Å; I325-P355 PolarHBondContact N-O 3.3Å; L346-P355 HydrophobicContact CB-CG 3.83Å; L346-P355 HydrophobicContact CD1-CG 4.27Å; L353-P355 WeakPolarHBondContact O-CD 3.41Å
356M94.9Very high92.5Very high2 Ų264.3 Ų64.31%0.0134%0.343CS..THydrogen-bonded Turntrans-106.78.6-178.9-63.4-67.2158.200113.2P254 I325 V338 I340 L346 D354 V358 C359 K360 L365P254-M356 HydrophobicContact CG-CE 3.9Å; I325-M356 HydrophobicContact CD1-CE 3.72Å; I325-M356 HydrophobicContact CD1-SD 3.6Å; I325-M356 VanDerWaalsContact CD1-SD 3.6Å; V338-M356 HydrophobicContact CG1-SD 4.16Å; I340-M356 HydrophobicContact CG2-CE 3.88Å; I340-M356 HydrophobicContact CG2-SD 4.39Å; L346-M356 HydrophobicContact CD1-CE 3.42Å; L346-M356 VanDerWaalsContact CD1-CE 3.42Å; L346-M356 HydrophobicContact CD1-CG 3.3Å; L346-M356 HydrophobicContact CD1-SD 4.13Å; D354-M356 PolarHBondContact O-N 3.29Å; D354-M356 PolarHBondContact OD1-N 2.88Å; M356-V358 PolarHBondContact O-N 3.47Å; M356-C359 WeakPolarHBondContact O-CB 3.39Å; M356-C359 PolarHBondContact O-N 2.88Å; M356-K360 WeakPolarHBondContact O-CG 2.98Å; M356-K360 PolarHBondContact O-N 2.64Å; M356-L365 HydrophobicContact CB-CD2 4.23Å; M356-L365 HydrophobicContact CG-CD1 4.39Å; M356-L365 HydrophobicContact SD-CD1 3.96Å
357M96.3Very high93.3Very high83 Ų8367.7 Ų67.741%0.40935%0.354SS..Hα-helixtrans-50.6-57-174.8-174.3172.370.800112.3D354 C359 K360 E361D354-M357 HydrophobicContact CB-CB 4.12Å; D354-M357 VanDerWaalsContact O-CB 3.31Å; D354-M357 WeakPolarHBondContact O-CB 3.47Å; D354-M357 PolarHBondContact O-N 3.19Å; D354-M357 VanDerWaalsContact O-N 3.08Å; M357-C359 PolarHBondContact O-N 3.01Å; M357-K360 WeakPolarHBondContact O-CB 3.46Å; M357-K360 PolarHBondContact O-N 2.87Å; M357-K360 VanDerWaalsContact O-N 3.08Å; M357-E361 WeakPolarHBondContact O-CG 3.29Å; M357-E361 PolarHBondContact O-N 3.13Å
358V97.7Very high94Very high20 Ų2066.3 Ų66.312%0.12134%0.344CS..Hα-helixtrans-58.6-36.5179.61790000111.9P327 L330 M356 R362P327-V358 HydrophobicContact CB-CG1 4.34Å; P327-V358 HydrophobicContact CG-CG1 3.95Å; P327-V358 HydrophobicContact CG-CG2 3.99Å; L330-V358 HydrophobicContact CD1-CG1 3.77Å; M356-V358 PolarHBondContact O-N 3.47Å; V358-R362 HydrophobicContact CG1-CG 4.48Å; V358-R362 WeakPolarHBondContact O-CB 3.35Å; V358-R362 VanDerWaalsContact O-CG 3.31Å; V358-R362 WeakPolarHBondContact O-CG 3.49Å; V358-R362 PolarHBondContact O-N 2.85Å
359C97.9Very high94.5Very high0 Ų067.2 Ų67.20%035%0.345CS..Hα-helixtrans-70.7-34.4-179.1-55.80000111.9V338 M356 M357 G363 I364 L365V338-C359 HydrophobicContact CB-CB 4.37Å; V338-C359 HydrophobicContact CG2-CB 4.34Å; M356-C359 WeakPolarHBondContact O-CB 3.39Å; M356-C359 PolarHBondContact O-N 2.88Å; M357-C359 PolarHBondContact O-N 3.01Å; C359-G363 PolarHBondContact O-N 3.27Å; C359-I364 HydrophobicContact CB-CG1 4.27Å; C359-I364 PolarHBondContact O-N 3.41Å; C359-I364 VanDerWaalsContact O-N 3.08Å; C359-L365 HydrophobicContact CB-CB 4.12Å; C359-L365 PolarHBondContact O-N 3.3Å
360K97.2Very high95Very high109 Ų10966.8 Ų66.847%0.47434%0.343SS..Hα-helixtrans-70.6-46.9174.7-67.7172-177174.30110.8D354 M356 M357 R362 G363 L365D354-K360 IonicContact OD1-NZ 2.66Å; D354-K360 WeakPolarHBondContact OD2-CE 3.13Å; D354-K360 IonicContact OD2-NZ 2.76Å; D354-K360 PolarHBondContact OD2-NZ 2.8Å; M356-K360 WeakPolarHBondContact O-CG 2.98Å; M356-K360 PolarHBondContact O-N 2.64Å; M357-K360 WeakPolarHBondContact O-CB 3.46Å; M357-K360 PolarHBondContact O-N 2.87Å; M357-K360 VanDerWaalsContact O-N 3.08Å; K360-R362 VanDerWaalsContact C-N 3.3Å; K360-R362 PolarHBondContact O-N 3.29Å; K360-G363 PolarHBondContact O-N 3.09Å; K360-L365 HydrophobicContact CG-CD2 3.72Å
361E98Very high95.5Very high142 Ų14261.6 Ų61.666%0.66433%0.333SS*.Hα-helixtrans-58.5-40.8177.2-71.1172.2172.100112.1M357 G363M357-E361 WeakPolarHBondContact O-CG 3.29Å; M357-E361 PolarHBondContact O-N 3.13Å; E361-G363 VanDerWaalsContact C-N 3.28Å; E361-G363 PolarHBondContact O-N 3.31Å
362R98.1Very high95.7Very high98 Ų9855 Ų5537%0.3731%0.305SS..THydrogen-bonded Turntrans-76.3-8.4175.7-68.5-179.2-179.6-151.5-0.1114.2D331 V358 K360 I364D331-R362 IonicContact OD1-CZ 3.27Å; D331-R362 VanDerWaalsContact OD1-CZ 3.27Å; D331-R362 IonicContact OD1-NH1 3.89Å; D331-R362 PolarHBondContact OD1-NH1 3.11Å; D331-R362 IonicContact OD1-NH2 2.95Å; D331-R362 PolarHBondContact OD1-NH2 3.01Å; D331-R362 IonicContact OD2-NH2 3.05Å; D331-R362 PolarHBondContact OD2-NH2 3.12Å; V358-R362 HydrophobicContact CG1-CG 4.48Å; V358-R362 WeakPolarHBondContact O-CB 3.35Å; V358-R362 VanDerWaalsContact O-CG 3.31Å; V358-R362 WeakPolarHBondContact O-CG 3.49Å; V358-R362 PolarHBondContact O-N 2.85Å; K360-R362 VanDerWaalsContact C-N 3.3Å; K360-R362 PolarHBondContact O-N 3.29Å; R362-I364 HydrophobicContact CB-CD1 4.24Å; R362-I364 HydrophobicContact CB-CG1 4.02Å; R362-I364 HydrophobicContact CB-CG2 4.19Å; R362-I364 PolarHBondContact O-N 3.5Å
363G98.2Very high95.9Very high44 Ų4458.5 Ų58.545%0.45431%0.311SS..THydrogen-bonded Turntrans68.417.5-177.600000115.1C359 K360 E361 R366C359-G363 PolarHBondContact O-N 3.27Å; K360-G363 PolarHBondContact O-N 3.09Å; E361-G363 VanDerWaalsContact C-N 3.28Å; E361-G363 PolarHBondContact O-N 3.31Å; G363-R366 PolarHBondContact O-NH1 2.7Å; G363-R366 PolarHBondContact O-NH2 2.75Å
364I98.4Very high96Very high25 Ų2555.3 Ų55.313%0.12829%0.294CS..  trans-100.2-7.5-174.364.6174.6000113.9L330 N336 Y337 V338 C359 R362L330-I364 HydrophobicContact CD1-CD1 4.04Å; L330-I364 HydrophobicContact CD2-CD1 4.27Å; N336-I364 WeakPolarHBondContact O-CB 3.15Å; N336-I364 WeakPolarHBondContact O-CG2 3.29Å; Y337-I364 WeakPolarHBondContact CA-O 3.39Å; V338-I364 HydrophobicContact CG2-CD1 3.98Å; V338-I364 HydrophobicContact CG2-CG1 4.27Å; V338-I364 PolarHBondContact N-O 3.47Å; C359-I364 HydrophobicContact CB-CG1 4.27Å; C359-I364 PolarHBondContact O-N 3.41Å; C359-I364 VanDerWaalsContact O-N 3.08Å; R362-I364 HydrophobicContact CB-CD1 4.24Å; R362-I364 HydrophobicContact CB-CG1 4.02Å; R362-I364 HydrophobicContact CB-CG2 4.19Å; R362-I364 PolarHBondContact O-N 3.5Å
365L98.1Very high95.9Very high30 Ų3055.7 Ų55.716%0.15730%0.298CS..EExtended strand (participates in β ladder)trans-68133.3177-176.765.3000111.3V338 I340 M356 C359 K360V338-L365 HydrophobicContact CB-CD1 4.47Å; V338-L365 HydrophobicContact CG1-CD1 4.25Å; V338-L365 CarbonylContact O-C 3.54Å; V338-L365 WeakPolarHBondContact O-CA 3.47Å; I340-L365 HydrophobicContact CD1-CD1 4.07Å; I340-L365 HydrophobicContact CG1-CD1 4.1Å; I340-L365 HydrophobicContact CG2-CD1 4.49Å; M356-L365 HydrophobicContact CB-CD2 4.23Å; M356-L365 HydrophobicContact CG-CD1 4.39Å; M356-L365 HydrophobicContact SD-CD1 3.96Å; C359-L365 HydrophobicContact CB-CB 4.12Å; C359-L365 PolarHBondContact O-N 3.3Å; K360-L365 HydrophobicContact CG-CD2 3.72Å
366R98Very high95.7Very high85 Ų8556.4 Ų56.432%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-129.4125.1175.6-59.9-64.4177.3-96.62.6109.9L274 Y337 V338 A339 I340 G363 I368L274-R366 HydrophobicContact CD1-CB 4Å; L274-R366 HydrophobicContact CD1-CG 4.04Å; Y337-R366 HydrophobicContact CD1-CG 4.1Å; Y337-R366 HydrophobicContact CG-CG 4.37Å; V338-R366 PolarHBondContact O-N 3.46Å; A339-R366 WeakPolarHBondContact CA-O 3.32Å; I340-R366 PolarHBondContact N-O 3.33Å; G363-R366 PolarHBondContact O-NH1 2.7Å; G363-R366 PolarHBondContact O-NH2 2.75Å; R366-I368 HydrophobicContact CB-CD1 4.12Å; R366-I368 HydrophobicContact CB-CG1 4.44Å
367R96.7Very high95.4Very high101 Ų10157.7 Ų57.738%0.38131%0.312SS..EExtended strand (participates in β ladder)trans-92.6123.4169.6-75.3-175.6174.6-85.2-3.7108.7I340 W342 K344I340-R367 HydrophobicContact CD1-CG 4.15Å; I340-R367 HydrophobicContact CG1-CG 4.01Å; I340-R367 CarbonylContact O-C 3.55Å; I340-R367 WeakPolarHBondContact O-CA 3.39Å; W342-R367 HydrophobicContact CE3-CB 3.88Å; W342-R367 HydrophobicContact CZ3-CB 4.31Å; W342-R367 PolarHBondContact O-NH1 3.01Å; K344-R367 PolarHBondContact O-NH1 2.93Å; K344-R367 PolarHBondContact O-NH2 2.96Å
368I97.2Very high95.1Very high23 Ų2356.4 Ų56.412%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-118.3122.2-170.8-56.6-62.6000110F267 Q270 L274 A339 I340 W342 R366F267-I368 HydrophobicContact CD2-CB 4.15Å; F267-I368 HydrophobicContact CD2-CG2 4.15Å; F267-I368 HydrophobicContact CE2-CB 3.91Å; F267-I368 HydrophobicContact CE2-CG2 4.36Å; Q270-I368 HydrophobicContact CB-CG2 3.34Å; Q270-I368 HydrophobicContact CG-CG2 4.32Å; L274-I368 HydrophobicContact CD1-CD1 3.87Å; L274-I368 HydrophobicContact CD1-CG1 4.33Å; L274-I368 HydrophobicContact CD2-CD1 4.49Å; L274-I368 HydrophobicContact CG-CD1 4.38Å; A339-I368 HydrophobicContact CB-CG1 4.14Å; I340-I368 PolarHBondContact O-N 3.38Å; W342-I368 PolarHBondContact N-O 3.17Å; R366-I368 HydrophobicContact CB-CD1 4.12Å; R366-I368 HydrophobicContact CB-CG1 4.44Å
369D96.3Very high94.8Very high98 Ų9855.4 Ų55.452%0.52430%0.3SS..  trans-76.3121.5166.8-175.71.9000109.3Q270 W342 G371Q270-D369 WeakPolarHBondContact CG-O 3.35Å; Q270-D369 PolarHBondContact NE2-O 3.04Å; W342-D369 HydrophobicContact CB-CB 4.31Å; D369-G371 PolarHBondContact O-N 3.3Å; D369-G371 PolarHBondContact OD1-N 3.37Å
370S95.4Very high94.4Very high27 Ų2755.6 Ų55.619%0.18930%0.301CS..  trans-72-18.2177.874.60000112.9S266 S372S266-S370 VanDerWaalsContact CB-O 3.24Å; S266-S370 WeakPolarHBondContact CB-O 3.48Å; S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 PolarHBondContact OG-N 3.23Å; S370-S372 VanDerWaalsContact OG-N 3.09Å; S370-S372 PolarHBondContact OG-O 3.03Å
371G94.2Very high94Very high69 Ų6952.7 Ų52.771%0.71130%0.295SS*.SBendtrans67.36-169.500000113.8D369D369-G371 PolarHBondContact O-N 3.3Å; D369-G371 PolarHBondContact OD1-N 3.37Å
372S92.8Very high93.7Very high26 Ų2648 Ų4818%0.18227%0.271CS..  trans-114130.7179.5162.80000110G263 S370 V374G263-S372 VanDerWaalsContact CA-OG 3.29Å; G263-S372 WeakPolarHBondContact CA-OG 3.48Å; S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 PolarHBondContact OG-N 3.23Å; S370-S372 VanDerWaalsContact OG-N 3.09Å; S370-S372 PolarHBondContact OG-O 3.03Å; S372-V374 PolarHBondContact O-N 2.84Å; S372-V374 PolarHBondContact OG-N 3.19Å; S372-V374 VanDerWaalsContact OG-N 3.07Å
373N91.1Very high93.3Very high128 Ų12843.4 Ų43.468%0.68425%0.254SS*.  trans-80-4.5171.464.9-13.7000113.4T375 L378N373-T375 PolarHBondContact O-N 3.36Å; N373-L378 WeakPolarHBondContact O-CD2 3.36Å
374V92.7Very high92.8Very high5 Ų544.1 Ų44.13%0.0325%0.246CC..  trans-81.8110.2-176.8-171.90000111.6F60 E64 H261 I262 G263 S372 L378 V379F60-V374 HydrophobicContact CE1-CG1 4.21Å; E64-V374 VanDerWaalsContact OE1-CG2 3.31Å; E64-V374 WeakPolarHBondContact OE1-CG2 3.13Å; H261-V374 PolarHBondContact CE1-O 2.67Å; H261-V374 PolarHBondContact ND1-O 3.14Å; I262-V374 HydrophobicContact CG2-CB 3.62Å; I262-V374 HydrophobicContact CG2-CG1 3.85Å; I262-V374 HydrophobicContact CG2-CG2 3.54Å; G263-V374 VanDerWaalsContact CA-O 3.3Å; G263-V374 WeakPolarHBondContact CA-O 3.38Å; S372-V374 PolarHBondContact O-N 2.84Å; S372-V374 PolarHBondContact OG-N 3.19Å; S372-V374 VanDerWaalsContact OG-N 3.07Å; V374-L378 HydrophobicContact CG2-CD2 4.42Å; V374-V379 HydrophobicContact CG1-CG2 3.82Å
375T90.8Very high92.4Very high53 Ų5351.6 Ų51.633%0.32528%0.277SS..  trans-111.9166.7172.765.20000110.8N373 S377 L378 V379N373-T375 PolarHBondContact O-N 3.36Å; T375-S377 PolarHBondContact O-N 3.4Å; T375-L378 PolarHBondContact O-N 2.91Å; T375-L378 VanDerWaalsContact O-N 3.08Å; T375-L378 PolarHBondContact OG1-N 2.67Å; T375-L378 VanDerWaalsContact OG1-N 3.12Å; T375-V379 WeakPolarHBondContact O-CG2 3.16Å; T375-V379 PolarHBondContact O-N 3Å
376T90Very high91.9Very high16 Ų1652.5 Ų52.510%0.09828%0.282CS..Hα-helixtrans-55.9-40.9173.3-48.80000110.8L259 H261 R294 L378 V379 I380L259-T376 HydrophobicContact CB-CG2 4.39Å; L259-T376 HydrophobicContact CD1-CG2 4.02Å; H261-T376 PolarHBondContact NE2-N 3.04Å; H261-T376 PolarHBondContact NE2-OG1 2.94Å; R294-T376 PolarHBondContact NH1-OG1 2.93Å; T376-L378 PolarHBondContact O-N 2.8Å; T376-V379 PolarHBondContact O-N 2.84Å; T376-I380 HydrophobicContact CG2-CD1 4.04Å; T376-I380 VanDerWaalsContact O-CG1 3.31Å; T376-I380 WeakPolarHBondContact O-CG1 3.42Å; T376-I380 PolarHBondContact O-N 3.19Å
377S87.2Confident91.3Very high29 Ų2953.4 Ų53.420%0.20329%0.286CS..Hα-helixtrans-61.9-42.2176.1-51.10000111.9T375 I380 S381T375-S377 PolarHBondContact O-N 3.4Å; S377-I380 PolarHBondContact O-N 3.47Å; S377-S381 PolarHBondContact O-N 2.64Å; S377-S381 PolarHBondContact O-OG 3.49Å
378L90.4Very high90.8Very high56 Ų5654.9 Ų54.929%0.29330%0.301SS..Hα-helixtrans-65.1-41175.3-176.463.1000112.1N373 V374 T375 T376 I380 S381 R382N373-L378 WeakPolarHBondContact O-CD2 3.36Å; V374-L378 HydrophobicContact CG2-CD2 4.42Å; T375-L378 PolarHBondContact O-N 2.91Å; T375-L378 VanDerWaalsContact O-N 3.08Å; T375-L378 PolarHBondContact OG1-N 2.67Å; T375-L378 VanDerWaalsContact OG1-N 3.12Å; T376-L378 PolarHBondContact O-N 2.8Å; L378-I380 VanDerWaalsContact C-N 3.29Å; L378-I380 PolarHBondContact O-N 3.48Å; L378-S381 PolarHBondContact O-N 2.81Å; L378-R382 WeakPolarHBondContact O-CG 3.44Å; L378-R382 PolarHBondContact O-N 2.97Å
379V91.8Very high90.4Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-58.6-45.5175.5177.10000110.2L22 V59 F60 H261 V374 T375 T376 R382 I383L22-V379 HydrophobicContact CD2-CG1 3.73Å; V59-V379 HydrophobicContact CG1-CG1 4.19Å; F60-V379 HydrophobicContact CE1-CG2 3.65Å; F60-V379 HydrophobicContact CZ-CG1 4.17Å; F60-V379 HydrophobicContact CZ-CG2 3.75Å; H261-V379 HydrophobicContact CB-CG2 4.23Å; V374-V379 HydrophobicContact CG1-CG2 3.82Å; T375-V379 WeakPolarHBondContact O-CG2 3.16Å; T375-V379 PolarHBondContact O-N 3Å; T376-V379 PolarHBondContact O-N 2.84Å; V379-R382 PolarHBondContact O-N 3.37Å; V379-I383 HydrophobicContact CG1-CD1 4.17Å; V379-I383 WeakPolarHBondContact O-CG1 3.48Å; V379-I383 PolarHBondContact O-N 3.19Å; V379-I383 VanDerWaalsContact O-N 3.1Å
380I88.9Confident89.9Confident4 Ų453.4 Ų53.42%0.02129%0.292CS..Hα-helixtrans-62.1-45.1175.9-68.1163000110.8M142 I146 F159 L259 M295 T376 S377 L378 R382 I383 M384M142-I380 HydrophobicContact CG-CG1 4.43Å; M142-I380 HydrophobicContact SD-CG1 3.8Å; I146-I380 HydrophobicContact CD1-CG2 3.8Å; F159-I380 HydrophobicContact CZ-CG2 4.24Å; L259-I380 HydrophobicContact CD1-CG1 4.46Å; M295-I380 HydrophobicContact CE-CD1 3.83Å; M295-I380 HydrophobicContact CE-CG2 4.05Å; M295-I380 HydrophobicContact CG-CD1 4.25Å; M295-I380 HydrophobicContact SD-CD1 3.77Å; T376-I380 HydrophobicContact CG2-CD1 4.04Å; T376-I380 VanDerWaalsContact O-CG1 3.31Å; T376-I380 WeakPolarHBondContact O-CG1 3.42Å; T376-I380 PolarHBondContact O-N 3.19Å; S377-I380 PolarHBondContact O-N 3.47Å; L378-I380 VanDerWaalsContact C-N 3.29Å; L378-I380 PolarHBondContact O-N 3.48Å; I380-R382 PolarHBondContact O-N 2.81Å; I380-I383 CarbonylContact O-C 3.4Å; I380-I383 WeakPolarHBondContact O-CA 3.28Å; I380-I383 WeakPolarHBondContact O-CB 3.35Å; I380-I383 PolarHBondContact O-N 2.92Å; I380-M384 HydrophobicContact CG2-CG 4.26Å; I380-M384 HydrophobicContact CG2-SD 4.08Å; I380-M384 WeakPolarHBondContact O-CG 2.99Å; I380-M384 PolarHBondContact O-N 2.77Å
381S89.8Confident89.4Confident48 Ų4855 Ų5534%0.33630%0.297SS..Hα-helixtrans-60.9-40.5176.8-60.70000112.7S377 L378 I383 M384 K385S377-S381 PolarHBondContact O-N 2.64Å; S377-S381 PolarHBondContact O-OG 3.49Å; L378-S381 PolarHBondContact O-N 2.81Å; S381-I383 PolarHBondContact O-N 2.77Å; S381-M384 PolarHBondContact O-N 2.87Å; S381-K385 WeakPolarHBondContact O-CB 3.25Å; S381-K385 PolarHBondContact O-N 2.76Å
382R92Very high89Confident42 Ų4255.8 Ų55.816%0.15828%0.282CS..Hα-helixtrans-59.8-36.5173.2-71.4-179.5-173.4-175.96.7111.4V59 E64 L378 V379 I380 N386V59-R382 HydrophobicContact CG1-CB 4.1Å; V59-R382 WeakPolarHBondContact O-CD 3.38Å; V59-R382 PolarHBondContact O-NH1 3.42Å; E64-R382 IonicContact OE1-CZ 2.72Å; E64-R382 IonicContact OE1-NH1 3.57Å; E64-R382 PolarHBondContact OE1-NH1 2.83Å; E64-R382 VanDerWaalsContact OE1-NH1 3.09Å; E64-R382 IonicContact OE1-NH2 3.97Å; E64-R382 PolarHBondContact OE1-NH2 2.82Å; E64-R382 IonicContact OE2-CZ 3.61Å; E64-R382 IonicContact OE2-NH1 3.83Å; E64-R382 PolarHBondContact OE2-NH1 2.94Å; E64-R382 IonicContact OE2-NH2 2.86Å; L378-R382 WeakPolarHBondContact O-CG 3.44Å; L378-R382 PolarHBondContact O-N 2.97Å; V379-R382 PolarHBondContact O-N 3.37Å; I380-R382 PolarHBondContact O-N 2.81Å; R382-N386 PolarHBondContact O-N 3.3Å; R382-N386 PolarHBondContact O-ND2 3.27Å
383I89.5Confident88.6Confident2 Ų256.8 Ų56.81%0.0128%0.282CS..Hα-helixtrans-71.8-46.8177.1-67.9164.8000111.9L22 V59 V139 M142 V379 I380 S381 K385 N386 R387 Y390L22-I383 HydrophobicContact CD1-CD1 3.97Å; L22-I383 HydrophobicContact CD2-CD1 4.43Å; V59-I383 HydrophobicContact CG1-CD1 4.31Å; V59-I383 HydrophobicContact CG1-CG1 3.88Å; V59-I383 HydrophobicContact CG2-CD1 4.3Å; V59-I383 HydrophobicContact CG2-CG1 3.72Å; V139-I383 HydrophobicContact CG1-CG2 4.02Å; V139-I383 HydrophobicContact CG2-CD1 4.31Å; V139-I383 HydrophobicContact CG2-CG2 4.32Å; M142-I383 HydrophobicContact CE-CD1 3.26Å; M142-I383 HydrophobicContact SD-CD1 3.48Å; M142-I383 WeakPolarHBondContact SD-CD1 3.36Å; V379-I383 HydrophobicContact CG1-CD1 4.17Å; V379-I383 WeakPolarHBondContact O-CG1 3.48Å; V379-I383 PolarHBondContact O-N 3.19Å; V379-I383 VanDerWaalsContact O-N 3.1Å; I380-I383 CarbonylContact O-C 3.4Å; I380-I383 WeakPolarHBondContact O-CA 3.28Å; I380-I383 WeakPolarHBondContact O-CB 3.35Å; I380-I383 PolarHBondContact O-N 2.92Å; S381-I383 PolarHBondContact O-N 2.77Å; I383-K385 VanDerWaalsContact C-N 3.33Å; I383-K385 PolarHBondContact O-N 2.94Å; I383-N386 CarbonylContact O-C 3.52Å; I383-N386 PolarHBondContact O-N 2.86Å; I383-N386 VanDerWaalsContact O-N 3.16Å; I383-R387 WeakPolarHBondContact O-CA 3.39Å; I383-R387 PolarHBondContact O-N 2.88Å; I383-Y390 HydrophobicContact CB-CE2 4.36Å; I383-Y390 HydrophobicContact CG1-CE2 4.15Å; I383-Y390 HydrophobicContact CG2-CD2 4.2Å; I383-Y390 HydrophobicContact CG2-CE2 4.43Å
384M87.5Confident88.2Confident59 Ų5951.6 Ų51.629%0.29125%0.254SS..Hα-helixtrans-60.9-42.6178.2-70-176.270.400112I146 Y155 I380 S381 N386 R387I146-M384 HydrophobicContact CD1-CG 3.8Å; I146-M384 HydrophobicContact CD1-SD 3.69Å; I146-M384 HydrophobicContact CG1-SD 4.47Å; I146-M384 HydrophobicContact CG2-CE 4.16Å; Y155-M384 VanDerWaalsContact OH-CE 3.29Å; Y155-M384 WeakPolarHBondContact OH-CE 3.49Å; Y155-M384 PolarHBondContact OH-SD 3.48Å; I380-M384 HydrophobicContact CG2-CG 4.26Å; I380-M384 HydrophobicContact CG2-SD 4.08Å; I380-M384 WeakPolarHBondContact O-CG 2.99Å; I380-M384 PolarHBondContact O-N 2.77Å; S381-M384 PolarHBondContact O-N 2.87Å; M384-N386 PolarHBondContact O-N 2.81Å; M384-R387 WeakPolarHBondContact O-CB 3.4Å; M384-R387 PolarHBondContact O-N 2.87Å
385K89.5Confident87.8Confident182 Ų18259.8 Ų59.879%0.79128%0.284SS*.Hα-helixtrans-59.1-31.4177.5-176.8173.2179177.80112.7S381 I383S381-K385 WeakPolarHBondContact O-CB 3.25Å; S381-K385 PolarHBondContact O-N 2.76Å; I383-K385 VanDerWaalsContact C-N 3.33Å; I383-K385 PolarHBondContact O-N 2.94Å
386N87.9Confident87.5Confident49 Ų4962.9 Ų62.926%0.26229%0.293SS..THydrogen-bonded Turntrans-110.218-178.1-63.5-69.1000112.9R382 I383 M384 L388 L389 Y390R382-N386 PolarHBondContact O-N 3.3Å; R382-N386 PolarHBondContact O-ND2 3.27Å; I383-N386 CarbonylContact O-C 3.52Å; I383-N386 PolarHBondContact O-N 2.86Å; I383-N386 VanDerWaalsContact O-N 3.16Å; M384-N386 PolarHBondContact O-N 2.81Å; N386-L388 PolarHBondContact O-N 2.83Å; N386-L389 HydrophobicContact CB-CD1 4.47Å; N386-L389 WeakPolarHBondContact O-CB 3.42Å; N386-L389 PolarHBondContact O-N 3.48Å; N386-L389 VanDerWaalsContact O-N 3.09Å; N386-Y390 HydrophobicContact CB-CD2 4.17Å; N386-Y390 HydrophobicContact CB-CE1 4.05Å; N386-Y390 HydrophobicContact CB-CE2 3.71Å; N386-Y390 PolarHBondContact O-N 2.68Å
387R85.6Confident87.2Confident104 Ų10465.8 Ų65.839%0.39231%0.305SS..Hα-helixtrans-51.2-52.1-172175.9-179174.3176.9-0.6112.6L143 I383 M384 L389 Y390 E391L143-R387 HydrophobicContact CD1-CG 4.2Å; L143-R387 HydrophobicContact CD2-CG 4Å; I383-R387 WeakPolarHBondContact O-CA 3.39Å; I383-R387 PolarHBondContact O-N 2.88Å; M384-R387 WeakPolarHBondContact O-CB 3.4Å; M384-R387 PolarHBondContact O-N 2.87Å; R387-L389 VanDerWaalsContact C-N 3.32Å; R387-L389 PolarHBondContact O-N 3.11Å; R387-Y390 PolarHBondContact O-N 2.81Å; R387-E391 HydrophobicContact CG-CG 4.38Å; R387-E391 WeakPolarHBondContact CG-OE1 3.38Å; R387-E391 IonicContact CZ-OE1 2.83Å; R387-E391 IonicContact NE-OE1 3.14Å; R387-E391 PolarHBondContact NE-OE1 3.06Å; R387-E391 IonicContact NH2-OE1 3.83Å; R387-E391 PolarHBondContact NH2-OE1 2.64Å; R387-E391 WeakPolarHBondContact O-CG 3.2Å; R387-E391 PolarHBondContact O-N 2.86Å
388L87.2Confident86.9Confident132 Ų13265.4 Ų65.469%0.69130%0.301SS*.Hα-helixtrans-61.4-40.2-178-64.2177.9000112N386 Y390 E391 E392N386-L388 PolarHBondContact O-N 2.83Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; L388-Y390 PolarHBondContact O-N 3.24Å; L388-E391 PolarHBondContact O-N 3.32Å; L388-E392 WeakPolarHBondContact O-CB 3.44Å; L388-E392 PolarHBondContact O-N 3.11Å
389L87Confident86.7Confident88 Ų8865.3 Ų65.346%0.46131%0.305SS..Hα-helixtrans-64.3-40.5176.9-65.8173000111.4N386 R387 R393N386-L389 HydrophobicContact CB-CD1 4.47Å; N386-L389 WeakPolarHBondContact O-CB 3.42Å; N386-L389 PolarHBondContact O-N 3.48Å; N386-L389 VanDerWaalsContact O-N 3.09Å; R387-L389 VanDerWaalsContact C-N 3.32Å; R387-L389 PolarHBondContact O-N 3.11Å; L389-R393 VanDerWaalsContact O-CB 3.25Å; L389-R393 WeakPolarHBondContact O-CB 3.33Å; L389-R393 PolarHBondContact O-N 2.85Å
390Y86.1Confident86.2Confident3 Ų368.4 Ų68.41%0.01232%0.319CS..Hα-helixtrans-72.6-37.7178.4-62.9-23.8000112.9P57 P58 V59 I383 N386 R387 L388 R393 N394P57-Y390 HydrophobicContact CG-CE1 4.36Å; P57-Y390 WeakPolarHBondContact O-CE1 3.44Å; P58-Y390 PolarHBondContact O-OH 3.05Å; V59-Y390 HydrophobicContact CG2-CE2 3.72Å; V59-Y390 WeakPolarHBondContact CG2-OH 3.29Å; I383-Y390 HydrophobicContact CB-CE2 4.36Å; I383-Y390 HydrophobicContact CG1-CE2 4.15Å; I383-Y390 HydrophobicContact CG2-CD2 4.2Å; I383-Y390 HydrophobicContact CG2-CE2 4.43Å; N386-Y390 HydrophobicContact CB-CD2 4.17Å; N386-Y390 HydrophobicContact CB-CE1 4.05Å; N386-Y390 HydrophobicContact CB-CE2 3.71Å; N386-Y390 PolarHBondContact O-N 2.68Å; R387-Y390 PolarHBondContact O-N 2.81Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; L388-Y390 PolarHBondContact O-N 3.24Å; Y390-R393 PolarHBondContact O-N 3.1Å; Y390-N394 VanDerWaalsContact O-CB 3.28Å; Y390-N394 WeakPolarHBondContact O-CB 3.42Å; Y390-N394 PolarHBondContact O-N 3.31Å; Y390-N394 PolarHBondContact O-ND2 2.77Å; Y390-N394 PolarHBondContact O-OD1 3.17Å
391E84.6Confident85.9Confident59 Ų5969 Ų6928%0.27632%0.321SS..Hα-helixtrans-62.1-45.8172.6-74.2175.4176.900111R387 L388 N394 R395R387-E391 HydrophobicContact CG-CG 4.38Å; R387-E391 WeakPolarHBondContact CG-OE1 3.38Å; R387-E391 IonicContact CZ-OE1 2.83Å; R387-E391 IonicContact NE-OE1 3.14Å; R387-E391 PolarHBondContact NE-OE1 3.06Å; R387-E391 IonicContact NH2-OE1 3.83Å; R387-E391 PolarHBondContact NH2-OE1 2.64Å; R387-E391 WeakPolarHBondContact O-CG 3.2Å; R387-E391 PolarHBondContact O-N 2.86Å; L388-E391 PolarHBondContact O-N 3.32Å; E391-N394 PolarHBondContact O-N 3.03Å; E391-R395 WeakPolarHBondContact O-CB 3.48Å; E391-R395 PolarHBondContact O-N 2.64Å
392E86.8Confident85.4Confident87 Ų8770 Ų7041%0.40732%0.322SS..Hα-helixtrans-61.9-47.8175.5-170.2-171166.200111.8L388 N394 R395 K396L388-E392 WeakPolarHBondContact O-CB 3.44Å; L388-E392 PolarHBondContact O-N 3.11Å; E392-N394 VanDerWaalsContact C-N 3.33Å; E392-N394 PolarHBondContact O-N 2.79Å; E392-R395 WeakPolarHBondContact O-CB 3.44Å; E392-R395 PolarHBondContact O-N 2.98Å; E392-K396 WeakPolarHBondContact O-CG 3.34Å; E392-K396 PolarHBondContact O-N 3.05Å; E392-K396 WeakPolarHBondContact OE1-CE 3.42Å; E392-K396 IonicContact OE1-NZ 3.79Å; E392-K396 PolarHBondContact OE1-NZ 3.28Å
393R83.7Confident85Confident46 Ų4673.2 Ų73.217%0.17434%0.338CS..Hα-helixtrans-54.6-49174.9177.5-174.573.4177.24.8111.7K55 P57 L389 Y390 R395 K396 K397K55-R393 WeakPolarHBondContact O-CD 2.95Å; K55-R393 WeakPolarHBondContact O-CG 3.4Å; P57-R393 PolarHBondContact O-NH1 3.14Å; P57-R393 VanDerWaalsContact O-NH1 3.12Å; L389-R393 VanDerWaalsContact O-CB 3.25Å; L389-R393 WeakPolarHBondContact O-CB 3.33Å; L389-R393 PolarHBondContact O-N 2.85Å; Y390-R393 PolarHBondContact O-N 3.1Å; R393-R395 VanDerWaalsContact C-N 3.33Å; R393-R395 PolarHBondContact O-N 3.32Å; R393-K396 PolarHBondContact O-N 3.37Å; R393-K397 PolarHBondContact O-N 3.34Å
394N83.2Confident84.4Confident19 Ų1974.7 Ų74.710%0.10235%0.346CS..Hα-helixtrans-64.6-39.6-178.9-69-18000110.8T136 Y390 E391 E392 K397 V398T136-N394 HydrophobicContact CG2-CB 4.29Å; T136-N394 PolarHBondContact OG1-OD1 3.27Å; Y390-N394 VanDerWaalsContact O-CB 3.28Å; Y390-N394 WeakPolarHBondContact O-CB 3.42Å; Y390-N394 PolarHBondContact O-N 3.31Å; Y390-N394 PolarHBondContact O-ND2 2.77Å; Y390-N394 PolarHBondContact O-OD1 3.17Å; E391-N394 PolarHBondContact O-N 3.03Å; E392-N394 VanDerWaalsContact C-N 3.33Å; E392-N394 PolarHBondContact O-N 2.79Å; N394-K397 PolarHBondContact O-N 3.31Å; N394-V398 VanDerWaalsContact O-CG2 3.31Å; N394-V398 WeakPolarHBondContact O-CG2 3.29Å; N394-V398 PolarHBondContact O-N 3.47Å
395R84.9Confident83.8Confident177 Ų17774 Ų7467%0.66835%0.35SS*.Hα-helixtrans-61.1-45.7175.4-156.8-167.5-44-107.1-0.4111.8E391 E392 R393 V398 S399E391-R395 WeakPolarHBondContact O-CB 3.48Å; E391-R395 PolarHBondContact O-N 2.64Å; E392-R395 WeakPolarHBondContact O-CB 3.44Å; E392-R395 PolarHBondContact O-N 2.98Å; R393-R395 VanDerWaalsContact C-N 3.33Å; R393-R395 PolarHBondContact O-N 3.32Å; R395-V398 PolarHBondContact O-N 2.9Å; R395-S399 WeakPolarHBondContact O-CB 3.48Å; R395-S399 PolarHBondContact O-N 3.3Å
396K84.9Confident83.4Confident119 Ų11968.2 Ų68.252%0.51733%0.332SS..Hα-helixtrans-61.5-42.7175-71.6177.3-176.4169.60111.6E392 R393 S399 K400E392-K396 WeakPolarHBondContact O-CG 3.34Å; E392-K396 PolarHBondContact O-N 3.05Å; E392-K396 WeakPolarHBondContact OE1-CE 3.42Å; E392-K396 IonicContact OE1-NZ 3.79Å; E392-K396 PolarHBondContact OE1-NZ 3.28Å; R393-K396 PolarHBondContact O-N 3.37Å; K396-S399 PolarHBondContact O-N 2.98Å; K396-K400 WeakPolarHBondContact O-CG 3.39Å; K396-K400 PolarHBondContact O-N 3.08Å
397K82.5Confident82.8Confident77 Ų7771.9 Ų71.934%0.33535%0.346SS..Hα-helixtrans-60.7-51.2177.4-179.1176.1173.1173.90111.7R393 N394 S399 K400 E401R393-K397 PolarHBondContact O-N 3.34Å; N394-K397 PolarHBondContact O-N 3.31Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.38Å; K397-K400 PolarHBondContact O-N 2.99Å; K397-E401 WeakPolarHBondContact CE-OE1 3.42Å; K397-E401 IonicContact NZ-OE1 3.9Å; K397-E401 WeakPolarHBondContact O-CG 3.45Å; K397-E401 PolarHBondContact O-N 3.08Å
398V82.2Confident82Confident20 Ų2072.6 Ų72.612%0.12135%0.352CS..Hα-helixtrans-59.3-44.4178.7172.60000111.1S220 T221 N394 R395 K400 E401 M402S220-V398 WeakPolarHBondContact OG-CG2 3.33Å; T221-V398 VanDerWaalsContact OG1-CG2 3.31Å; T221-V398 WeakPolarHBondContact OG1-CG2 3.43Å; N394-V398 VanDerWaalsContact O-CG2 3.31Å; N394-V398 WeakPolarHBondContact O-CG2 3.29Å; N394-V398 PolarHBondContact O-N 3.47Å; R395-V398 PolarHBondContact O-N 2.9Å; V398-K400 VanDerWaalsContact C-N 3.35Å; V398-K400 PolarHBondContact O-N 3.21Å; V398-E401 PolarHBondContact O-N 2.99Å; V398-M402 HydrophobicContact CG1-CE 3.31Å; V398-M402 HydrophobicContact CG1-SD 3.99Å; V398-M402 WeakPolarHBondContact O-CG 3.48Å; V398-M402 PolarHBondContact O-N 3.42Å
399S84.8Confident81.3Confident55 Ų5573 Ų7339%0.38535%0.354SS..Hα-helixtrans-60.3-41.8177.9-178.20000112.6R395 K396 K397 M402 Q403R395-S399 WeakPolarHBondContact O-CB 3.48Å; R395-S399 PolarHBondContact O-N 3.3Å; K396-S399 PolarHBondContact O-N 2.98Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.38Å; S399-M402 PolarHBondContact O-N 3.18Å; S399-Q403 WeakPolarHBondContact O-CG 3.31Å; S399-Q403 PolarHBondContact O-N 3.5Å
400K82Confident80.6Confident65 Ų6573.7 Ų73.728%0.28336%0.362SS..Hα-helixtrans-63.8-47175.5-72.2173.3179.9-172.80112.4N109 K396 K397 V398 M402 Q403 L404N109-K400 PolarHBondContact OD1-NZ 3.13Å; K396-K400 WeakPolarHBondContact O-CG 3.39Å; K396-K400 PolarHBondContact O-N 3.08Å; K397-K400 PolarHBondContact O-N 2.99Å; V398-K400 VanDerWaalsContact C-N 3.35Å; V398-K400 PolarHBondContact O-N 3.21Å; K400-M402 PolarHBondContact O-N 3.05Å; K400-Q403 PolarHBondContact O-N 3.08Å; K400-L404 WeakPolarHBondContact O-CD1 3.15Å; K400-L404 VanDerWaalsContact O-CG 3.3Å; K400-L404 WeakPolarHBondContact O-CG 3.45Å; K400-L404 PolarHBondContact O-N 2.9Å
401E81.9Confident79.4Confident15 Ų1579.9 Ų79.97%0.0740%0.395CS..Hα-helixtrans-59-38.9178.6-71.5172.2178.300111.2S217 K397 V398 A405S217-E401 WeakPolarHBondContact CB-OE2 3.46Å; S217-E401 PolarHBondContact OG-OE2 3.38Å; K397-E401 WeakPolarHBondContact CE-OE1 3.42Å; K397-E401 IonicContact NZ-OE1 3.9Å; K397-E401 WeakPolarHBondContact O-CG 3.45Å; K397-E401 PolarHBondContact O-N 3.08Å; V398-E401 PolarHBondContact O-N 2.99Å; E401-A405 WeakPolarHBondContact O-CB 3.44Å; E401-A405 PolarHBondContact O-N 2.68Å
402M80.3Confident77.6Confident71 Ų7186 Ų8635%0.3543%0.43SS..Hα-helixtrans-66.2-47175.1-71.7170.9-177.600113N215 V398 S399 K400 L404 A405 S406N215-M402 HydrophobicContact CB-CE 3.59Å; N215-M402 VanDerWaalsContact O-CE 3.26Å; N215-M402 WeakPolarHBondContact O-CE 3.41Å; V398-M402 HydrophobicContact CG1-CE 3.31Å; V398-M402 HydrophobicContact CG1-SD 3.99Å; V398-M402 WeakPolarHBondContact O-CG 3.48Å; V398-M402 PolarHBondContact O-N 3.42Å; S399-M402 PolarHBondContact O-N 3.18Å; K400-M402 PolarHBondContact O-N 3.05Å; M402-L404 PolarHBondContact O-N 3.09Å; M402-A405 PolarHBondContact O-N 2.95Å; M402-S406 PolarHBondContact O-N 3.39Å; M402-S406 PolarHBondContact O-OG 3.29Å
403Q82.8Confident77.1Confident108 Ų10885.9 Ų85.951%0.50543%0.431SS..Hα-helixtrans-61-34.6178.4-73174.6800112.3S399 K400 S406 K407S399-Q403 WeakPolarHBondContact O-CG 3.31Å; S399-Q403 PolarHBondContact O-N 3.5Å; K400-Q403 PolarHBondContact O-N 3.08Å; Q403-S406 WeakPolarHBondContact CA-OG 3.21Å; Q403-S406 PolarHBondContact O-OG 2.96Å; Q403-K407 WeakPolarHBondContact O-CG 3.13Å; Q403-K407 PolarHBondContact O-N 3.05Å
404L76.8Confident76.8Confident34 Ų3488 Ų8818%0.17844%0.444CS..Hα-helixtrans-72-48.9175.7-68.6163.4000110.8L105 V107 K400 M402 S406 K407 F408L105-L404 HydrophobicContact CB-CD1 4.43Å; L105-L404 HydrophobicContact CD1-CB 3.94Å; L105-L404 HydrophobicContact CD1-CD1 4.42Å; V107-L404 HydrophobicContact CB-CD1 3.86Å; V107-L404 HydrophobicContact CG2-CD1 3.27Å; V107-L404 HydrophobicContact CG2-CD2 3.84Å; V107-L404 HydrophobicContact CG2-CG 4.18Å; K400-L404 WeakPolarHBondContact O-CD1 3.15Å; K400-L404 VanDerWaalsContact O-CG 3.3Å; K400-L404 WeakPolarHBondContact O-CG 3.45Å; K400-L404 PolarHBondContact O-N 2.9Å; M402-L404 PolarHBondContact O-N 3.09Å; L404-S406 PolarHBondContact O-N 3.34Å; L404-K407 WeakPolarHBondContact O-CB 3.48Å; L404-K407 PolarHBondContact O-N 3.14Å; L404-F408 WeakPolarHBondContact O-CD2 3.31Å; L404-F408 PolarHBondContact O-N 2.86Å
405A76.2Confident76.4Confident44 Ų4491.8 Ų91.836%0.36446%0.463SS..Hα-helixtrans-55.3-41.6176.500000111.7E401 M402 F408 L409E401-A405 WeakPolarHBondContact O-CB 3.44Å; E401-A405 PolarHBondContact O-N 2.68Å; M402-A405 PolarHBondContact O-N 2.95Å; A405-F408 PolarHBondContact O-N 3.21Å; A405-L409 WeakPolarHBondContact O-CG 3.26Å; A405-L409 PolarHBondContact O-N 3.15Å; A405-L409 VanDerWaalsContact O-N 3.09Å
406S79.5Confident75.9Confident60 Ų6086.8 Ų86.842%0.4245%0.451SS..Hα-helixtrans-64.1-40175.560.20000112.8M402 Q403 L404 F408 L409 T410M402-S406 PolarHBondContact O-N 3.39Å; M402-S406 PolarHBondContact O-OG 3.29Å; Q403-S406 WeakPolarHBondContact CA-OG 3.21Å; Q403-S406 PolarHBondContact O-OG 2.96Å; L404-S406 PolarHBondContact O-N 3.34Å; S406-F408 VanDerWaalsContact C-N 3.35Å; S406-F408 PolarHBondContact O-N 3.07Å; S406-L409 PolarHBondContact O-N 3.28Å; S406-T410 WeakPolarHBondContact O-CG2 3.4Å; S406-T410 PolarHBondContact O-N 3.15Å; S406-T410 PolarHBondContact O-OG1 3.22Å
407K76.1Confident75.4Confident127 Ų12784.8 Ų84.855%0.55245%0.447SS*.Hα-helixtrans-65.1-37.3176.2-75.6175.4-179.9-177.40112.5Q403 L404 L409 T410 N411Q403-K407 WeakPolarHBondContact O-CG 3.13Å; Q403-K407 PolarHBondContact O-N 3.05Å; L404-K407 WeakPolarHBondContact O-CB 3.48Å; L404-K407 PolarHBondContact O-N 3.14Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-T410 WeakPolarHBondContact CA-OG1 3.35Å; K407-T410 PolarHBondContact O-N 2.91Å; K407-T410 PolarHBondContact O-OG1 2.93Å; K407-T410 VanDerWaalsContact O-OG1 3.1Å; K407-N411 WeakPolarHBondContact O-CB 3.41Å; K407-N411 VanDerWaalsContact O-CG 3.29Å; K407-N411 PolarHBondContact O-N 3.02Å
408F68.5Low74.9Confident119 Ų11985.3 Ų85.352%0.52246%0.455SS..Hα-helixtrans-67-33.2175-79.5-72.1000112.4L105 L404 A405 S406 N412L105-F408 HydrophobicContact CD2-CD2 4.46Å; L105-F408 HydrophobicContact CD2-CE2 3.75Å; L105-F408 HydrophobicContact CD2-CZ 4.41Å; L404-F408 WeakPolarHBondContact O-CD2 3.31Å; L404-F408 PolarHBondContact O-N 2.86Å; A405-F408 PolarHBondContact O-N 3.21Å; S406-F408 VanDerWaalsContact C-N 3.35Å; S406-F408 PolarHBondContact O-N 3.07Å; F408-N412 PolarHBondContact O-ND2 3.05Å
409L72.4Confident74.4Confident139 Ų13990 Ų9073%0.72848%0.478SS*.Hα-helixtrans-77.6-23.9176.6-71.6169.6000113.8A405 S406 K407A405-L409 WeakPolarHBondContact O-CG 3.26Å; A405-L409 PolarHBondContact O-N 3.15Å; A405-L409 VanDerWaalsContact O-N 3.09Å; S406-L409 PolarHBondContact O-N 3.28Å; K407-L409 VanDerWaalsContact C-N 3.31Å
410T73.2Confident73.6Confident104 Ų10492.7 Ų92.764%0.63849%0.486SS*.Hα-helixtrans-89.1-21177.7550000113.8S406 K407S406-T410 WeakPolarHBondContact O-CG2 3.4Å; S406-T410 PolarHBondContact O-N 3.15Å; S406-T410 PolarHBondContact O-OG1 3.22Å; K407-T410 WeakPolarHBondContact CA-OG1 3.35Å; K407-T410 PolarHBondContact O-N 2.91Å; K407-T410 PolarHBondContact O-OG1 2.93Å; K407-T410 VanDerWaalsContact O-OG1 3.1Å
411N59.2Low72.9Confident132 Ų13295 Ų9571%0.70650%0.503SS*.  trans-96.3-4.8-176.4-72-5.3000113.8K407K407-N411 WeakPolarHBondContact O-CB 3.41Å; K407-N411 VanDerWaalsContact O-CG 3.29Å; K407-N411 PolarHBondContact O-N 3.02Å
412N47.4Very low72Confident187 Ų187102.3 Ų102.3100%154%0.542SS*.  trans-114.80169.2-70.1-36.4000108.4F408F408-N412 PolarHBondContact O-ND2 3.05Å

Retrieved 412 of 412 residues in 691.7 ms (Link to these results)

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