A0A087XL89_POEFO Loading...

S-acyl fatty acid synthase thioesterase, medium chain

AlphaFold DB , UniProt , Accession A0A087XL89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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
1M84.8Confident93.8Very high95 Ų9576.4 Ų76.447%0.46834%0.34SS..  0-66.80-169.2-178.969.200112.7K3 V4 I5 W10 L78M1-K3 PolarHBondContact O-N 2.78Å; M1-V4 PolarHBondContact O-N 2.93Å; M1-I5 HydrophobicContact CG-CB 4.35Å; M1-I5 HydrophobicContact CG-CG1 4.29Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-W10 HydrophobicContact CE-CH2 4.05Å; M1-W10 HydrophobicContact CE-CZ3 3.99Å; M1-W10 HydrophobicContact SD-CH2 4.33Å; M1-W10 HydrophobicContact SD-CZ3 4.36Å; M1-L78 HydrophobicContact CG-CD1 4.17Å; M1-L78 HydrophobicContact SD-CD1 3.34Å; M1-L78 WeakPolarHBondContact SD-CD1 3.41Å
2E87.6Confident93.6Very high164 Ų16475.5 Ų75.577%0.76635%0.348SS*.THydrogen-bonded Turntrans-56.3-29.7-172.2-63.1-178.5169.600115.6V4E2-V4 VanDerWaalsContact C-N 3.34Å
3K94.5Very high93.6Very high100 Ų10082.2 Ų82.244%0.43538%0.379SS..THydrogen-bonded Turntrans-59.4-44.9172.4-176.1-172.2-179.5-1520111.7M1 R55 E58 E70M1-K3 PolarHBondContact O-N 2.78Å; K3-R55 VanDerWaalsContact CE-NH2 3.33Å; K3-R55 VanDerWaalsContact NZ-NH2 3.15Å; K3-R55 WeakPolarHBondContact O-CD 3.34Å; K3-E58 WeakPolarHBondContact CE-OE1 3.23Å; K3-E58 WeakPolarHBondContact CE-OE2 3.41Å; K3-E58 IonicContact NZ-OE1 3.83Å; K3-E58 IonicContact NZ-OE2 2.73Å; K3-E58 PolarHBondContact NZ-OE2 3.11Å; K3-E70 IonicContact NZ-OE1 3.14Å; K3-E70 PolarHBondContact NZ-OE1 3.37Å
4V96.6Very high93.7Very high7 Ų776.4 Ų76.44%0.04235%0.353CS..THydrogen-bonded Turntrans-97.5-20-168.5-176.80000111.8M1 E2 K48 E70 V71 A74M1-V4 PolarHBondContact O-N 2.93Å; E2-V4 VanDerWaalsContact C-N 3.34Å; V4-K48 WeakPolarHBondContact O-CB 3.19Å; V4-K48 PolarHBondContact O-N 2.95Å; V4-E70 HydrophobicContact CG2-CG 3.89Å; V4-V71 HydrophobicContact CG1-CG2 4.38Å; V4-A74 HydrophobicContact CB-CB 3.88Å; V4-A74 HydrophobicContact CG1-CB 4.05Å; V4-A74 HydrophobicContact CG2-CB 3.92Å
5I97.4Very high93.7Very high10 Ų1076.1 Ų76.15%0.05136%0.358CS..EExtended strand (participates in β ladder)trans-124.7132.4-173.1-56.2-62.8000110.7M1 F45 A46 V47 L75M1-I5 HydrophobicContact CG-CB 4.35Å; M1-I5 HydrophobicContact CG-CG1 4.29Å; M1-I5 PolarHBondContact O-N 3.39Å; I5-F45 HydrophobicContact CD1-CB 4.48Å; I5-F45 HydrophobicContact CG2-CB 3.58Å; I5-F45 HydrophobicContact CG2-CD1 3.94Å; I5-F45 HydrophobicContact CG2-CD2 4.29Å; I5-F45 HydrophobicContact CG2-CG 3.68Å; I5-A46 WeakPolarHBondContact CA-O 3.32Å; I5-V47 HydrophobicContact CD1-CG2 4.18Å; I5-L75 HydrophobicContact CD1-CD1 3.93Å; I5-L75 HydrophobicContact CD1-CD2 3.69Å; I5-L75 HydrophobicContact CD1-CG 4Å; I5-L75 HydrophobicContact CG1-CD2 3.67Å; I5-L75 HydrophobicContact CG1-CG 4.36Å
6S97.1Very high93.8Very high13 Ų1371.3 Ų71.39%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-99.4125.8162-67.50000109.6S28 A46 K48S6-S28 VanDerWaalsContact CB-OG 3.31Å; S6-S28 WeakPolarHBondContact CB-OG 3.28Å; S6-S28 PolarHBondContact OG-OG 2.94Å; S6-A46 PolarHBondContact N-O 3.1Å; S6-A46 PolarHBondContact O-N 2.64Å; S6-K48 WeakPolarHBondContact OG-CE 3.34Å; S6-K48 PolarHBondContact OG-NZ 2.79Å
7C96.6Very high94Very high42 Ų4267.6 Ų67.628%0.28432%0.318SS..  trans-131.5112.5173.4-175.60000108R9 V44 F45C7-R9 VanDerWaalsContact SG-C 3.58Å; C7-R9 PolarHBondContact SG-O 2.95Å; C7-V44 PolarHBondContact SG-O 3.16Å; C7-V44 VanDerWaalsContact SG-O 3.4Å; C7-F45 HydrophobicContact CB-CD1 3.99Å; C7-F45 HydrophobicContact CB-CE1 4.19Å
8F95.4Very high94.3Very high97 Ų9763.9 Ų63.943%0.42530%0.3SS..SBendtrans-82.1-24.6-178.8-765.3000112.8I29 A32 R33F8-I29 HydrophobicContact CE2-CG2 4.42Å; F8-I29 HydrophobicContact CZ-CB 4.5Å; F8-I29 HydrophobicContact CZ-CG1 4.29Å; F8-I29 HydrophobicContact CZ-CG2 4.12Å; F8-A32 HydrophobicContact CD1-CB 3.62Å; F8-A32 HydrophobicContact CD2-CB 4.09Å; F8-A32 HydrophobicContact CE1-CB 3.69Å; F8-A32 HydrophobicContact CE2-CB 4.16Å; F8-A32 HydrophobicContact CG-CB 3.83Å; F8-A32 HydrophobicContact CZ-CB 3.97Å; F8-R33 HydrophobicContact CD2-CG 4.07Å; F8-R33 HydrophobicContact CE2-CG 3.72Å
9R94.6Very high94.5Very high136 Ų13660.6 Ų60.651%0.51329%0.285SS..SBendtrans-133101.4178.4-70.6-118.6-175.8-177.22.6108.9C7 R11 G35 N36C7-R9 VanDerWaalsContact SG-C 3.58Å; C7-R9 PolarHBondContact SG-O 2.95Å; R9-R11 PolarHBondContact O-N 2.89Å; R9-G35 WeakPolarHBondContact CG-O 3.37Å; R9-N36 WeakPolarHBondContact CG-OD1 3.38Å; R9-N36 PolarHBondContact NE-OD1 2.86Å
10W93.9Very high94.7Very high137 Ų13757.6 Ų57.652%0.51927%0.271SS..  trans-68126.6170.6-168.6-111.8000109.6M1 F45M1-W10 HydrophobicContact CE-CH2 4.05Å; M1-W10 HydrophobicContact CE-CZ3 3.99Å; M1-W10 HydrophobicContact SD-CH2 4.33Å; M1-W10 HydrophobicContact SD-CZ3 4.36Å; W10-F45 HydrophobicContact CE3-CE1 4.17Å; W10-F45 HydrophobicContact CH2-CE1 4.49Å; W10-F45 HydrophobicContact CH2-CZ 4.05Å; W10-F45 AromaticContact CZ3-CE1 3.6Å; W10-F45 HydrophobicContact CZ3-CE1 3.6Å; W10-F45 AromaticContact CZ3-CZ 3.58Å; W10-F45 HydrophobicContact CZ3-CZ 3.58Å
11R93.8Very high94.9Very high39 Ų3954.9 Ų54.915%0.14726%0.258CS..  trans-136.776.4-176.1-68.2178.9180179.8-5.8108.5R9 E13 A14 G35 L38 N39 V42 E43R9-R11 PolarHBondContact O-N 2.89Å; R11-E13 PolarHBondContact O-N 2.92Å; R11-E13 VanDerWaalsContact O-N 3.1Å; R11-A14 HydrophobicContact CB-CB 3.91Å; R11-A14 WeakPolarHBondContact O-CB 3.42Å; R11-A14 PolarHBondContact O-N 3.48Å; R11-G35 VanDerWaalsContact CZ-O 3.27Å; R11-G35 PolarHBondContact NH2-O 3.36Å; R11-L38 PolarHBondContact NH1-O 3.26Å; R11-L38 PolarHBondContact NH2-O 3.01Å; R11-N39 VanDerWaalsContact NH1-C 3.26Å; R11-N39 PolarHBondContact NH1-O 3.46Å; R11-V42 WeakPolarHBondContact CD-O 3.47Å; R11-V42 PolarHBondContact NH1-O 2.92Å; R11-E43 HydrophobicContact CB-CB 4.17Å; R11-E43 HydrophobicContact CB-CG 4.43Å; R11-E43 PolarHBondContact N-OE1 3.2Å
12P91.1Very high95.5Very high66 Ų6650.5 Ų50.543%0.42924%0.237SC..THydrogen-bonded Turntrans-62.1-24.9-17626-33.4000112.3K82P12-K82 PolarHBondContact O-NZ 3.15Å
13E93.3Very high95.9Very high163 Ų16344.4 Ų44.476%0.76221%0.207SC*.THydrogen-bonded Turntrans-86-5.6177.3-54.8-50.1133.500114R11 V15R11-E13 PolarHBondContact O-N 2.92Å; R11-E13 VanDerWaalsContact O-N 3.1Å; E13-V15 PolarHBondContact O-N 2.82Å
14A94.5Very high95.9Very high1 Ų140.1 Ų40.11%0.00819%0.19CC..  trans-58135.5173.700000109.6R11 S41 E43 K82R11-A14 HydrophobicContact CB-CB 3.91Å; R11-A14 WeakPolarHBondContact O-CB 3.42Å; R11-A14 PolarHBondContact O-N 3.48Å; A14-S41 CarbonylContact C-O 3.49Å; A14-S41 WeakPolarHBondContact CA-O 3.49Å; A14-S41 WeakPolarHBondContact CB-O 3.24Å; A14-E43 HydrophobicContact CB-CB 3.62Å; A14-K82 VanDerWaalsContact O-CD 3.23Å; A14-K82 WeakPolarHBondContact O-CD 3.48Å; A14-K82 WeakPolarHBondContact O-CE 3.23Å; A14-K82 PolarHBondContact O-NZ 3.18Å
15V94.4Very high95.7Very high71 Ų7140.9 Ų40.943%0.4320%0.199SC..SBendtrans-85.1-20.7-177.7-68.60000111.9E13 S41 E250E13-V15 PolarHBondContact O-N 2.82Å; V15-S41 PolarHBondContact N-O 3.42Å; V15-E250 HydrophobicContact CG2-CG 4.19Å; V15-E250 VanDerWaalsContact CG2-OE1 3.23Å; V15-E250 WeakPolarHBondContact CG2-OE1 3.43Å; V15-E250 VanDerWaalsContact CG2-OE2 3.32Å; V15-E250 WeakPolarHBondContact CG2-OE2 3.36Å
16T95.8Very high95.4Very high0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-128.8144.8178.4-59.80000111.2S41 V42 E43 P83 I112 L246 E250T16-S41 PolarHBondContact N-O 3.4Å; T16-S41 VanDerWaalsContact N-O 3.13Å; T16-V42 WeakPolarHBondContact O-CA 3.33Å; T16-E43 PolarHBondContact O-N 3.38Å; T16-P83 WeakPolarHBondContact CA-O 3.43Å; T16-I112 HydrophobicContact CG2-CD1 3.86Å; T16-L246 HydrophobicContact CG2-CD1 4.22Å; T16-L246 HydrophobicContact CG2-CD2 4.27Å; T16-E250 WeakPolarHBondContact CB-OE1 3.21Å; T16-E250 WeakPolarHBondContact OG1-CG 3.38Å; T16-E250 PolarHBondContact OG1-OE1 3.27Å
17R96.9Very high95.2Very high9 Ų941 Ų413%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-105.4132.9169-61.3-165.6179.5107.9-11.3111.8I19 E43 L78 E81 P83 F84 A85R17-I19 HydrophobicContact CB-CD1 4.08Å; R17-E43 CarbonylContact C-O 3.53Å; R17-E43 WeakPolarHBondContact CA-O 3.42Å; R17-E43 HydrophobicContact CG-CB 4.34Å; R17-E43 IonicContact CZ-OE2 2.79Å; R17-E43 IonicContact NE-OE2 2.67Å; R17-E43 PolarHBondContact NE-OE2 3.28Å; R17-L78 VanDerWaalsContact NH1-C 3.33Å; R17-L78 PolarHBondContact NH1-O 3.44Å; R17-E81 IonicContact CZ-OE2 3.99Å; R17-E81 IonicContact NH1-OE2 3Å; R17-E81 IonicContact NH2-OE2 3.72Å; R17-E81 PolarHBondContact NH2-OE2 3.07Å; R17-P83 PolarHBondContact N-O 2.9Å; R17-F84 HydrophobicContact CB-CB 4.25Å; R17-F84 CarbonylContact O-C 3.46Å; R17-F84 WeakPolarHBondContact O-CA 3.32Å; R17-A85 PolarHBondContact O-N 2.84Å
18L98.4Very high95.1Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-104.5113.4170.4-178.866000109.5W34 L38 V42 E43 V44 F45 A85 F87 F115 I242L18-W34 HydrophobicContact CD2-CE3 4.15Å; L18-W34 HydrophobicContact CD2-CZ3 4.42Å; L18-L38 HydrophobicContact CD2-CD1 3.79Å; L18-V42 HydrophobicContact CB-CG1 3.72Å; L18-E43 PolarHBondContact N-O 2.91Å; L18-V44 WeakPolarHBondContact O-CA 3.43Å; L18-F45 PolarHBondContact O-N 2.59Å; L18-A85 HydrophobicContact CD1-CB 4.09Å; L18-F87 HydrophobicContact CD1-CB 4.04Å; L18-F115 HydrophobicContact CD1-CD2 4.3Å; L18-F115 HydrophobicContact CD1-CE2 4.44Å; L18-I242 HydrophobicContact CD2-CG2 4.07Å
19I98.7Very high95.1Very high1 Ų138 Ų381%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-98.4115.1178.8-55.877.6000108.7R17 F21 F45 V47 L75 L79 F84 A85 L86 F87R17-I19 HydrophobicContact CB-CD1 4.08Å; I19-F21 HydrophobicContact CB-CE2 4.18Å; I19-F21 HydrophobicContact CG2-CD2 4.32Å; I19-F21 HydrophobicContact CG2-CE2 3.57Å; I19-F21 HydrophobicContact CG2-CZ 3.89Å; I19-F45 CarbonylContact C-O 3.48Å; I19-F45 VanDerWaalsContact CA-O 3.31Å; I19-F45 WeakPolarHBondContact CA-O 3.21Å; I19-F45 HydrophobicContact CG1-CB 4.38Å; I19-V47 HydrophobicContact CG2-CG2 3.9Å; I19-L75 HydrophobicContact CG1-CD1 4.18Å; I19-L75 HydrophobicContact CG2-CD1 3.89Å; I19-L79 HydrophobicContact CD1-CD2 3.88Å; I19-L79 HydrophobicContact CG1-CD2 4.33Å; I19-F84 HydrophobicContact CD1-CB 3.59Å; I19-F84 HydrophobicContact CD1-CD2 3.98Å; I19-F84 HydrophobicContact CD1-CG 4.17Å; I19-A85 WeakPolarHBondContact CD1-O 3.44Å; I19-A85 PolarHBondContact N-O 3.04Å; I19-L86 HydrophobicContact CB-CD2 3.81Å; I19-L86 HydrophobicContact CD1-CD2 4.11Å; I19-L86 HydrophobicContact CG1-CD2 4.3Å; I19-L86 WeakPolarHBondContact O-CA 3.4Å; I19-F87 PolarHBondContact O-N 2.9Å
20C98.8Very high95.1Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-103.4128.7-175.8-59.40000111.7Y31 F45 V47 F87C20-Y31 HydrophobicContact CB-CD1 3.87Å; C20-Y31 HydrophobicContact CB-CD2 4.18Å; C20-Y31 HydrophobicContact CB-CG 3.52Å; C20-F45 PolarHBondContact N-O 2.7Å; C20-V47 PolarHBondContact O-N 3.34Å; C20-F87 CarbonylContact C-O 3.53Å; C20-F87 VanDerWaalsContact CA-O 3.29Å; C20-F87 WeakPolarHBondContact CA-O 3.39Å
21F98.8Very high95.3Very high2 Ų226.7 Ų26.71%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-107.7121.8179.6-66-99.8000109.8I19 V47 V71 L86 F87 H89 G92 T95 S96 V99I19-F21 HydrophobicContact CB-CE2 4.18Å; I19-F21 HydrophobicContact CG2-CD2 4.32Å; I19-F21 HydrophobicContact CG2-CE2 3.57Å; I19-F21 HydrophobicContact CG2-CZ 3.89Å; F21-V47 HydrophobicContact CD1-CB 4.29Å; F21-V47 HydrophobicContact CD1-CG2 3.89Å; F21-V47 HydrophobicContact CE1-CG2 3.78Å; F21-V47 HydrophobicContact CG-CG2 4.33Å; F21-V47 HydrophobicContact CZ-CG2 4.11Å; F21-V71 HydrophobicContact CE1-CG1 4.04Å; F21-V71 HydrophobicContact CE1-CG2 4.39Å; F21-V71 HydrophobicContact CZ-CG1 4.12Å; F21-L86 HydrophobicContact CE2-CB 4.36Å; F21-L86 HydrophobicContact CE2-CD2 4.05Å; F21-F87 WeakPolarHBondContact CD2-O 3.1Å; F21-F87 PolarHBondContact N-O 3.17Å; F21-H89 PolarHBondContact O-N 2.97Å; F21-G92 WeakPolarHBondContact CB-O 3.35Å; F21-T95 HydrophobicContact CD1-CG2 3.56Å; F21-T95 HydrophobicContact CE1-CG2 3.95Å; F21-S96 VanDerWaalsContact CD2-CB 3.42Å; F21-V99 HydrophobicContact CE1-CB 4.44Å; F21-V99 HydrophobicContact CE1-CG2 3.88Å; F21-V99 HydrophobicContact CZ-CB 4.19Å; F21-V99 HydrophobicContact CZ-CG1 4.21Å; F21-V99 HydrophobicContact CZ-CG2 4.09Å
22P97.4Very high95.5Very high3 Ų324.8 Ų24.82%0.01914%0.141CC..PPolyproline II helixtrans-73.9160-176.230.8-35.2000113.6G26 Y31 V47 G92P22-G26 WeakPolarHBondContact CB-O 3.44Å; P22-Y31 HydrophobicContact CB-CD2 4.35Å; P22-Y31 HydrophobicContact CB-CE2 4.03Å; P22-V47 WeakPolarHBondContact CD-O 3.46Å; P22-G92 VanDerWaalsContact O-CA 3.22Å; P22-G92 WeakPolarHBondContact O-CA 3.24Å; P22-G92 PolarHBondContact O-N 2.8Å; P22-G92 VanDerWaalsContact O-N 3.15Å
23W96.1Very high95.7Very high35 Ų3528.8 Ų28.813%0.13315%0.147CC..PPolyproline II helixtrans-67.4169.7168.859.987.6000111.3G25 G26 H30 Y31 H89 F227 L229W23-G25 PolarHBondContact O-N 3.2Å; W23-G26 WeakPolarHBondContact O-CA 3.27Å; W23-G26 PolarHBondContact O-N 3.47Å; W23-H30 HydrophobicContact CH2-CB 3.84Å; W23-H30 AromaticContact CH2-CD2 3.75Å; W23-H30 AromaticContact CH2-CG 3.71Å; W23-H30 HydrophobicContact CZ3-CB 4.37Å; W23-H30 AromaticContact CZ3-CD2 3.59Å; W23-Y31 AromaticContact CE3-CE2 3.99Å; W23-Y31 HydrophobicContact CE3-CE2 3.99Å; W23-Y31 AromaticContact CE3-CZ 3.96Å; W23-Y31 VanDerWaalsContact CE3-OH 3.25Å; W23-Y31 AromaticContact CZ3-CE2 3.79Å; W23-Y31 HydrophobicContact CZ3-CE2 3.79Å; W23-Y31 AromaticContact CZ3-CZ 3.75Å; W23-Y31 WeakPolarHBondContact CZ3-OH 3.23Å; W23-H89 VanDerWaalsContact CA-O 3.31Å; W23-H89 WeakPolarHBondContact CA-O 3.48Å; W23-H89 AromaticContact CE3-CD2 3.91Å; W23-F227 HydrophobicContact CB-CE1 4.49Å; W23-F227 AromaticContact CD1-CE1 3.7Å; W23-F227 AromaticContact CD1-CZ 3.99Å; W23-F227 AromaticContact CD2-CE1 3.78Å; W23-F227 HydrophobicContact CD2-CE1 3.78Å; W23-F227 AromaticContact CE2-CE1 3.81Å; W23-F227 HydrophobicContact CE3-CE1 4.39Å; W23-F227 AromaticContact CG-CE1 3.77Å; W23-F227 HydrophobicContact CG-CE1 3.77Å; W23-F227 HydrophobicContact CG-CZ 4.34Å; W23-F227 HydrophobicContact CZ2-CE1 4.48Å; W23-F227 AromaticContact NE1-CE1 3.74Å; W23-L229 HydrophobicContact CZ3-CD1 4.49Å
24A94.9Very high95.9Very high11 Ų1121 Ų219%0.09111%0.111CC..THydrogen-bonded Turntrans-60.2131.9-178.500000110.6G26 F91 L169 D172 L173A24-G26 PolarHBondContact O-N 2.97Å; A24-F91 HydrophobicContact CB-CB 3.86Å; A24-F91 HydrophobicContact CB-CG 4.19Å; A24-F91 VanDerWaalsContact N-CB 3.27Å; A24-L169 HydrophobicContact CB-CD1 3.59Å; A24-L169 VanDerWaalsContact O-CD1 3.24Å; A24-L169 WeakPolarHBondContact O-CD1 3.18Å; A24-D172 HydrophobicContact CB-CB 3.67Å; A24-L173 HydrophobicContact CB-CD2 4.23Å; A24-L173 HydrophobicContact CB-CG 4.22Å
25G92Very high96Very high22 Ų2221.1 Ų21.123%0.22711%0.112CC..THydrogen-bonded Turntrans68.4-6.3-173.700000114.8W23 D172W23-G25 PolarHBondContact O-N 3.2Å; G25-D172 PolarHBondContact N-OD2 3.3Å
26G90.8Very high96Very high3 Ų321.4 Ų21.43%0.03111%0.111CC..  trans-74.3138.717800000112.5P22 W23 A24 R52P22-G26 WeakPolarHBondContact CB-O 3.44Å; W23-G26 WeakPolarHBondContact O-CA 3.27Å; W23-G26 PolarHBondContact O-N 3.47Å; A24-G26 PolarHBondContact O-N 2.97Å; G26-R52 WeakPolarHBondContact O-CD 3.36Å; G26-R52 VanDerWaalsContact O-CZ 3.3Å; G26-R52 PolarHBondContact O-NE 2.82Å; G26-R52 PolarHBondContact O-NH2 3.13Å
27G92.4Very high95.9Very high22 Ų2226.1 Ų26.123%0.22714%0.14CC..  trans-81169.6172.200000113.3I29 E53G27-I29 VanDerWaalsContact C-N 3.31Å; G27-E53 WeakPolarHBondContact CA-OE1 3.38Å
28S96Very high95.7Very high0 Ų026 Ų260%014%0.14CC..SBendtrans-74.9-20.9176.963.90000113S6 H30 Y31 A32 A46 V47 E53S6-S28 VanDerWaalsContact CB-OG 3.31Å; S6-S28 WeakPolarHBondContact CB-OG 3.28Å; S6-S28 PolarHBondContact OG-OG 2.94Å; S28-H30 PolarHBondContact O-N 3.4Å; S28-Y31 PolarHBondContact O-N 3Å; S28-A32 WeakPolarHBondContact O-CB 3.35Å; S28-A32 PolarHBondContact O-N 2.84Å; S28-A46 WeakPolarHBondContact O-CB 3.41Å; S28-V47 WeakPolarHBondContact CB-O 3.38Å; S28-E53 WeakPolarHBondContact CB-OE2 3.44Å; S28-E53 VanDerWaalsContact N-CD 3.34Å; S28-E53 PolarHBondContact N-OE1 2.94Å; S28-E53 PolarHBondContact N-OE2 3.43Å; S28-E53 PolarHBondContact OG-OE1 2.67Å; S28-E53 PolarHBondContact OG-OE2 2.95Å
29I95.1Very high95.3Very high76 Ų7628.1 Ų28.139%0.3915%0.151SC..Hα-helixtrans-59.5-39.6-171-69.2163.6000113.7F8 G27 Y31 A32 R33 E53F8-I29 HydrophobicContact CE2-CG2 4.42Å; F8-I29 HydrophobicContact CZ-CB 4.5Å; F8-I29 HydrophobicContact CZ-CG1 4.29Å; F8-I29 HydrophobicContact CZ-CG2 4.12Å; G27-I29 VanDerWaalsContact C-N 3.31Å; I29-Y31 VanDerWaalsContact C-N 3.34Å; I29-Y31 PolarHBondContact O-N 2.8Å; I29-A32 PolarHBondContact O-N 3.4Å; I29-R33 WeakPolarHBondContact O-CG 3.44Å; I29-R33 PolarHBondContact O-N 3.32Å; I29-E53 WeakPolarHBondContact CG1-OE1 3.24Å; I29-E53 PolarHBondContact N-OE1 2.7Å
30H94.4Very high94.9Very high36 Ų3632.7 Ų32.717%0.16718%0.183CC..Hα-helixtrans-57.5-49.8-177.9176.475.9000110.8W23 S28 R33 E235W23-H30 HydrophobicContact CH2-CB 3.84Å; W23-H30 AromaticContact CH2-CD2 3.75Å; W23-H30 AromaticContact CH2-CG 3.71Å; W23-H30 HydrophobicContact CZ3-CB 4.37Å; W23-H30 AromaticContact CZ3-CD2 3.59Å; S28-H30 PolarHBondContact O-N 3.4Å; H30-R33 WeakPolarHBondContact O-CB 3.27Å; H30-E235 IonicContact CE1-OE1 2.68Å; H30-E235 PolarHBondContact CE1-OE1 3.01Å; H30-E235 IonicContact NE2-OE1 3.29Å
31Y97.6Very high94.7Very high0 Ų033.9 Ų33.90%019%0.192CC..Hα-helixtrans-76.3-33.4179.2-59.4-68.5000113.6C20 P22 W23 S28 I29 R33 W34 V44 F87 H89 L229C20-Y31 HydrophobicContact CB-CD1 3.87Å; C20-Y31 HydrophobicContact CB-CD2 4.18Å; C20-Y31 HydrophobicContact CB-CG 3.52Å; P22-Y31 HydrophobicContact CB-CD2 4.35Å; P22-Y31 HydrophobicContact CB-CE2 4.03Å; W23-Y31 AromaticContact CE3-CE2 3.99Å; W23-Y31 HydrophobicContact CE3-CE2 3.99Å; W23-Y31 AromaticContact CE3-CZ 3.96Å; W23-Y31 VanDerWaalsContact CE3-OH 3.25Å; W23-Y31 AromaticContact CZ3-CE2 3.79Å; W23-Y31 HydrophobicContact CZ3-CE2 3.79Å; W23-Y31 AromaticContact CZ3-CZ 3.75Å; W23-Y31 WeakPolarHBondContact CZ3-OH 3.23Å; S28-Y31 PolarHBondContact O-N 3Å; I29-Y31 VanDerWaalsContact C-N 3.34Å; I29-Y31 PolarHBondContact O-N 2.8Å; Y31-R33 PolarHBondContact O-N 2.89Å; Y31-R33 VanDerWaalsContact O-N 3.14Å; Y31-W34 AromaticContact CD1-CD2 4Å; Y31-W34 HydrophobicContact CD1-CD2 4Å; Y31-W34 AromaticContact CD1-CE2 3.84Å; Y31-W34 AromaticContact CD1-CE3 3.96Å; Y31-W34 HydrophobicContact CD1-CE3 3.96Å; Y31-W34 AromaticContact CD1-CH2 3.68Å; Y31-W34 HydrophobicContact CD1-CH2 3.68Å; Y31-W34 AromaticContact CD1-CZ2 3.69Å; Y31-W34 HydrophobicContact CD1-CZ2 3.69Å; Y31-W34 AromaticContact CD1-CZ3 3.81Å; Y31-W34 HydrophobicContact CD1-CZ3 3.81Å; Y31-W34 AromaticContact CE1-CH2 3.64Å; Y31-W34 HydrophobicContact CE1-CH2 3.64Å; Y31-W34 AromaticContact CE1-CZ2 3.72Å; Y31-W34 HydrophobicContact CE1-CZ2 3.72Å; Y31-W34 HydrophobicContact CE1-CZ3 4.17Å; Y31-W34 VanDerWaalsContact O-CB 3.24Å; Y31-W34 WeakPolarHBondContact O-CB 3.17Å; Y31-W34 PolarHBondContact O-N 2.73Å; Y31-V44 WeakPolarHBondContact O-CG1 3.46Å; Y31-F87 HydrophobicContact CD1-CD1 4.2Å; Y31-F87 HydrophobicContact CD1-CE1 4.25Å; Y31-F87 AromaticContact CE1-CD1 3.7Å; Y31-F87 HydrophobicContact CE1-CD1 3.7Å; Y31-F87 AromaticContact CE1-CE1 3.35Å; Y31-F87 HydrophobicContact CE1-CE1 3.35Å; Y31-F87 HydrophobicContact CE1-CZ 4.37Å; Y31-F87 AromaticContact CZ-CE1 3.87Å; Y31-H89 WeakPolarHBondContact OH-CB 3.45Å; Y31-L229 HydrophobicContact CE1-CD1 4.3Å
32A97Very high94.5Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-58.6-30.2176.800000111.9F8 S28 I29 W34 G35 A46F8-A32 HydrophobicContact CD1-CB 3.62Å; F8-A32 HydrophobicContact CD2-CB 4.09Å; F8-A32 HydrophobicContact CE1-CB 3.69Å; F8-A32 HydrophobicContact CE2-CB 4.16Å; F8-A32 HydrophobicContact CG-CB 3.83Å; F8-A32 HydrophobicContact CZ-CB 3.97Å; S28-A32 WeakPolarHBondContact O-CB 3.35Å; S28-A32 PolarHBondContact O-N 2.84Å; I29-A32 PolarHBondContact O-N 3.4Å; A32-W34 VanDerWaalsContact C-N 3.26Å; A32-W34 PolarHBondContact O-N 2.88Å; A32-G35 PolarHBondContact O-N 3.38Å; A32-A46 HydrophobicContact CB-CB 4.04Å
33R96.9Very high94.5Very high149 Ų14933.8 Ų33.856%0.56219%0.191SC*.G310 helixtrans-64.9-25.5174.1-69.8170.3179.5-173.4-0.3113.5F8 I29 H30 Y31 G35 N36F8-R33 HydrophobicContact CD2-CG 4.07Å; F8-R33 HydrophobicContact CE2-CG 3.72Å; I29-R33 WeakPolarHBondContact O-CG 3.44Å; I29-R33 PolarHBondContact O-N 3.32Å; H30-R33 WeakPolarHBondContact O-CB 3.27Å; Y31-R33 PolarHBondContact O-N 2.89Å; Y31-R33 VanDerWaalsContact O-N 3.14Å; R33-G35 PolarHBondContact O-N 3.18Å; R33-N36 WeakPolarHBondContact O-CB 3.31Å; R33-N36 PolarHBondContact O-N 2.94Å
34W97.4Very high94.6Very high1 Ų132.2 Ų32.20%0.00419%0.185CC..G310 helixtrans-61.3-25.7176.5-63.5-4000112.1L18 Y31 A32 N36 V37 L38 V44 F87 E235 L238 L239 I242L18-W34 HydrophobicContact CD2-CE3 4.15Å; L18-W34 HydrophobicContact CD2-CZ3 4.42Å; Y31-W34 AromaticContact CD1-CD2 4Å; Y31-W34 HydrophobicContact CD1-CD2 4Å; Y31-W34 AromaticContact CD1-CE2 3.84Å; Y31-W34 AromaticContact CD1-CE3 3.96Å; Y31-W34 HydrophobicContact CD1-CE3 3.96Å; Y31-W34 AromaticContact CD1-CH2 3.68Å; Y31-W34 HydrophobicContact CD1-CH2 3.68Å; Y31-W34 AromaticContact CD1-CZ2 3.69Å; Y31-W34 HydrophobicContact CD1-CZ2 3.69Å; Y31-W34 AromaticContact CD1-CZ3 3.81Å; Y31-W34 HydrophobicContact CD1-CZ3 3.81Å; Y31-W34 AromaticContact CE1-CH2 3.64Å; Y31-W34 HydrophobicContact CE1-CH2 3.64Å; Y31-W34 AromaticContact CE1-CZ2 3.72Å; Y31-W34 HydrophobicContact CE1-CZ2 3.72Å; Y31-W34 HydrophobicContact CE1-CZ3 4.17Å; Y31-W34 VanDerWaalsContact O-CB 3.24Å; Y31-W34 WeakPolarHBondContact O-CB 3.17Å; Y31-W34 PolarHBondContact O-N 2.73Å; A32-W34 VanDerWaalsContact C-N 3.26Å; A32-W34 PolarHBondContact O-N 2.88Å; W34-N36 PolarHBondContact O-N 3.24Å; W34-N36 VanDerWaalsContact O-N 3.15Å; W34-V37 PolarHBondContact O-N 2.95Å; W34-L38 HydrophobicContact CB-CD1 4.35Å; W34-L38 PolarHBondContact O-N 3.35Å; W34-V44 HydrophobicContact CB-CG1 4.39Å; W34-V44 HydrophobicContact CB-CG2 4.37Å; W34-F87 AromaticContact CH2-CD1 3.89Å; W34-F87 HydrophobicContact CH2-CD1 3.89Å; W34-F87 HydrophobicContact CH2-CD2 4.12Å; W34-F87 AromaticContact CH2-CE1 3.65Å; W34-F87 HydrophobicContact CH2-CE1 3.65Å; W34-F87 AromaticContact CH2-CE2 3.87Å; W34-F87 HydrophobicContact CH2-CE2 3.87Å; W34-F87 HydrophobicContact CH2-CG 4.16Å; W34-F87 AromaticContact CH2-CZ 3.64Å; W34-F87 HydrophobicContact CH2-CZ 3.64Å; W34-F87 AromaticContact CZ3-CD1 3.89Å; W34-F87 HydrophobicContact CZ3-CD1 3.89Å; W34-F87 HydrophobicContact CZ3-CD2 4.03Å; W34-F87 HydrophobicContact CZ3-CE1 4.14Å; W34-F87 HydrophobicContact CZ3-CE2 4.26Å; W34-F87 AromaticContact CZ3-CG 3.87Å; W34-F87 HydrophobicContact CZ3-CG 3.87Å; W34-F87 HydrophobicContact CZ3-CZ 4.32Å; W34-E235 PolarHBondContact NE1-OE1 2.67Å; W34-L238 HydrophobicContact CH2-CD2 3.57Å; W34-L238 HydrophobicContact CZ2-CD2 4.01Å; W34-L238 HydrophobicContact CZ3-CD2 4.25Å; W34-L239 HydrophobicContact CB-CD2 4.24Å; W34-L239 HydrophobicContact CD2-CD2 3.52Å; W34-L239 HydrophobicContact CE3-CD2 3.65Å; W34-L239 HydrophobicContact CG-CD1 4.36Å; W34-L239 HydrophobicContact CG-CD2 3.81Å; W34-L239 HydrophobicContact CH2-CD2 4.36Å; W34-L239 HydrophobicContact CZ2-CD2 4.27Å; W34-L239 HydrophobicContact CZ3-CD2 4.08Å; W34-I242 HydrophobicContact CZ3-CD1 4.12Å
35G95.9Very high94.7Very high2 Ų231.7 Ų31.72%0.02118%0.181CC..G310 helixtrans-63.6-15.2171.600000114.6R9 R11 A32 R33R9-G35 WeakPolarHBondContact CG-O 3.37Å; R11-G35 VanDerWaalsContact CZ-O 3.27Å; R11-G35 PolarHBondContact NH2-O 3.36Å; A32-G35 PolarHBondContact O-N 3.38Å; R33-G35 PolarHBondContact O-N 3.18Å
36N94.2Very high95Very high77 Ų7730.6 Ų30.641%0.41217%0.17SC..G310 helixtrans-87.8-16.8170.6-66.7-52.4000113.3R9 R33 W34R9-N36 WeakPolarHBondContact CG-OD1 3.38Å; R9-N36 PolarHBondContact NE-OD1 2.86Å; R33-N36 WeakPolarHBondContact O-CB 3.31Å; R33-N36 PolarHBondContact O-N 2.94Å; W34-N36 PolarHBondContact O-N 3.24Å; W34-N36 VanDerWaalsContact O-N 3.15Å
37V93.1Very high95.4Very high100 Ų10030.5 Ų30.561%0.60617%0.169SC*.THydrogen-bonded Turntrans-107.1-43.1-171-176.80000111.2W34 L239W34-V37 PolarHBondContact O-N 2.95Å; V37-L239 HydrophobicContact CB-CD1 4.16Å; V37-L239 HydrophobicContact CG1-CD1 3.75Å
38L93.7Very high95.6Very high6 Ų630.6 Ų30.63%0.03116%0.163CC..SBendtrans-66.1148.4178.3-68175.6000111.6R11 L18 W34 V42 V44 L239 T243R11-L38 PolarHBondContact NH1-O 3.26Å; R11-L38 PolarHBondContact NH2-O 3.01Å; L18-L38 HydrophobicContact CD2-CD1 3.79Å; W34-L38 HydrophobicContact CB-CD1 4.35Å; W34-L38 PolarHBondContact O-N 3.35Å; L38-V42 HydrophobicContact CB-CB 4.44Å; L38-V42 HydrophobicContact CD1-CG1 4.04Å; L38-V44 HydrophobicContact CD1-CG2 3.67Å; L38-L239 HydrophobicContact CD1-CD2 4.45Å; L38-L239 HydrophobicContact CD2-CB 4.17Å; L38-L239 HydrophobicContact CD2-CD2 3.95Å; L38-L239 HydrophobicContact CG-CD2 4.24Å; L38-T243 WeakPolarHBondContact CD2-OG1 3.23Å
39N89.8Confident95.7Very high45 Ų4530.7 Ų30.724%0.24116%0.163CC..  trans-56158.8178.169.89.2000111.7R11 S41 V42 T243 E247R11-N39 VanDerWaalsContact NH1-C 3.26Å; R11-N39 PolarHBondContact NH1-O 3.46Å; N39-S41 VanDerWaalsContact CG-OG 3.24Å; N39-S41 PolarHBondContact ND2-OG 3Å; N39-S41 VanDerWaalsContact ND2-OG 3.16Å; N39-S41 PolarHBondContact O-N 3.36Å; N39-S41 PolarHBondContact OD1-N 3.24Å; N39-S41 PolarHBondContact OD1-OG 3.01Å; N39-V42 PolarHBondContact O-N 3.27Å; N39-V42 PolarHBondContact OD1-N 3.34Å; N39-T243 VanDerWaalsContact ND2-CG2 3.28Å; N39-T243 WeakPolarHBondContact ND2-CG2 3.36Å; N39-E247 PolarHBondContact ND2-OE1 3.15Å
40S90.9Very high95.8Very high96 Ų9627.2 Ų27.267%0.67115%0.146SC*.THydrogen-bonded Turntrans-64.9-10.7-174.6530000115.2V42S40-V42 VanDerWaalsContact C-N 3.29Å
41S93.3Very high95.8Very high26 Ų2626 Ų2618%0.18214%0.143CC..THydrogen-bonded Turntrans-77.5-14.5177.1660000113.2A14 V15 T16 N39A14-S41 CarbonylContact C-O 3.49Å; A14-S41 WeakPolarHBondContact CA-O 3.49Å; A14-S41 WeakPolarHBondContact CB-O 3.24Å; V15-S41 PolarHBondContact N-O 3.42Å; T16-S41 PolarHBondContact N-O 3.4Å; T16-S41 VanDerWaalsContact N-O 3.13Å; N39-S41 VanDerWaalsContact CG-OG 3.24Å; N39-S41 PolarHBondContact ND2-OG 3Å; N39-S41 VanDerWaalsContact ND2-OG 3.16Å; N39-S41 PolarHBondContact O-N 3.36Å; N39-S41 PolarHBondContact OD1-N 3.24Å; N39-S41 PolarHBondContact OD1-OG 3.01Å
42V95.6Very high95.5Very high1 Ų127 Ų271%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-110.4128.2177.3-175.80000111.8R11 T16 L18 L38 N39 S40 V44 L246R11-V42 WeakPolarHBondContact CD-O 3.47Å; R11-V42 PolarHBondContact NH1-O 2.92Å; T16-V42 WeakPolarHBondContact O-CA 3.33Å; L18-V42 HydrophobicContact CB-CG1 3.72Å; L38-V42 HydrophobicContact CB-CB 4.44Å; L38-V42 HydrophobicContact CD1-CG1 4.04Å; N39-V42 PolarHBondContact O-N 3.27Å; N39-V42 PolarHBondContact OD1-N 3.34Å; S40-V42 VanDerWaalsContact C-N 3.29Å; V42-V44 HydrophobicContact CG1-CG2 4.35Å; V42-L246 HydrophobicContact CG1-CD1 4.29Å; V42-L246 HydrophobicContact CG2-CD1 3.91Å
43E96.5Very high95.4Very high2 Ų229.9 Ų29.91%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-101.2126.6168.9179.4170.6-11400109.9R11 A14 T16 R17 L18 F45R11-E43 HydrophobicContact CB-CB 4.17Å; R11-E43 HydrophobicContact CB-CG 4.43Å; R11-E43 PolarHBondContact N-OE1 3.2Å; A14-E43 HydrophobicContact CB-CB 3.62Å; T16-E43 PolarHBondContact O-N 3.38Å; R17-E43 CarbonylContact C-O 3.53Å; R17-E43 WeakPolarHBondContact CA-O 3.42Å; R17-E43 HydrophobicContact CG-CB 4.34Å; R17-E43 IonicContact CZ-OE2 2.79Å; R17-E43 IonicContact NE-OE2 2.67Å; R17-E43 PolarHBondContact NE-OE2 3.28Å; L18-E43 PolarHBondContact N-O 2.91Å; E43-F45 HydrophobicContact CG-CD1 4.13Å; E43-F45 HydrophobicContact CG-CE1 3.54Å; E43-F45 HydrophobicContact CG-CZ 4.14Å; E43-F45 VanDerWaalsContact OE2-CZ 3.27Å; E43-F45 WeakPolarHBondContact OE2-CZ 3.47Å
44V98Very high95.3Very high1 Ų127.2 Ų27.21%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-103.4123.4-173.9-177.50000111.2C7 L18 Y31 W34 L38 V42C7-V44 PolarHBondContact SG-O 3.16Å; C7-V44 VanDerWaalsContact SG-O 3.4Å; L18-V44 WeakPolarHBondContact O-CA 3.43Å; Y31-V44 WeakPolarHBondContact O-CG1 3.46Å; W34-V44 HydrophobicContact CB-CG1 4.39Å; W34-V44 HydrophobicContact CB-CG2 4.37Å; L38-V44 HydrophobicContact CD1-CG2 3.67Å; V42-V44 HydrophobicContact CG1-CG2 4.35Å
45F98.3Very high95.2Very high0 Ų027.4 Ų27.40%017%0.165CC..EExtended strand (participates in β ladder)trans-114.1113.8174-71.9-5.2000110I5 C7 W10 L18 I19 C20 E43 L75 L78I5-F45 HydrophobicContact CD1-CB 4.48Å; I5-F45 HydrophobicContact CG2-CB 3.58Å; I5-F45 HydrophobicContact CG2-CD1 3.94Å; I5-F45 HydrophobicContact CG2-CD2 4.29Å; I5-F45 HydrophobicContact CG2-CG 3.68Å; C7-F45 HydrophobicContact CB-CD1 3.99Å; C7-F45 HydrophobicContact CB-CE1 4.19Å; W10-F45 HydrophobicContact CE3-CE1 4.17Å; W10-F45 HydrophobicContact CH2-CE1 4.49Å; W10-F45 HydrophobicContact CH2-CZ 4.05Å; W10-F45 AromaticContact CZ3-CE1 3.6Å; W10-F45 HydrophobicContact CZ3-CE1 3.6Å; W10-F45 AromaticContact CZ3-CZ 3.58Å; W10-F45 HydrophobicContact CZ3-CZ 3.58Å; L18-F45 PolarHBondContact O-N 2.59Å; I19-F45 CarbonylContact C-O 3.48Å; I19-F45 VanDerWaalsContact CA-O 3.31Å; I19-F45 WeakPolarHBondContact CA-O 3.21Å; I19-F45 HydrophobicContact CG1-CB 4.38Å; C20-F45 PolarHBondContact N-O 2.7Å; E43-F45 HydrophobicContact CG-CD1 4.13Å; E43-F45 HydrophobicContact CG-CE1 3.54Å; E43-F45 HydrophobicContact CG-CZ 4.14Å; E43-F45 VanDerWaalsContact OE2-CZ 3.27Å; E43-F45 WeakPolarHBondContact OE2-CZ 3.47Å; F45-L75 HydrophobicContact CD2-CD2 3.88Å; F45-L75 HydrophobicContact CE2-CD2 4.32Å; F45-L78 HydrophobicContact CE2-CD1 3.84Å; F45-L78 HydrophobicContact CZ-CD1 4.44Å
46A98.4Very high95Very high0 Ų030.2 Ų30.20%019%0.188CC..EExtended strand (participates in β ladder)trans-98124.3175.500000110.8I5 S6 S28 A32I5-A46 WeakPolarHBondContact CA-O 3.32Å; S6-A46 PolarHBondContact N-O 3.1Å; S6-A46 PolarHBondContact O-N 2.64Å; S28-A46 WeakPolarHBondContact O-CB 3.41Å; A32-A46 HydrophobicContact CB-CB 4.04Å
47V98.4Very high95.1Very high1 Ų138.5 Ų38.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-69.4132.4180176.50000110.6I5 I19 C20 F21 P22 S28 L49 V71I5-V47 HydrophobicContact CD1-CG2 4.18Å; I19-V47 HydrophobicContact CG2-CG2 3.9Å; C20-V47 PolarHBondContact O-N 3.34Å; F21-V47 HydrophobicContact CD1-CB 4.29Å; F21-V47 HydrophobicContact CD1-CG2 3.89Å; F21-V47 HydrophobicContact CE1-CG2 3.78Å; F21-V47 HydrophobicContact CG-CG2 4.33Å; F21-V47 HydrophobicContact CZ-CG2 4.11Å; P22-V47 WeakPolarHBondContact CD-O 3.46Å; S28-V47 WeakPolarHBondContact CB-O 3.38Å; V47-L49 HydrophobicContact CG1-CD2 3.77Å; V47-L49 HydrophobicContact CG1-CG 4.46Å; V47-V71 HydrophobicContact CG1-CG2 3.83Å; V47-V71 HydrophobicContact CG2-CG2 4.45Å
48K97.6Very high95.2Very high23 Ų2336.4 Ų36.410%0.120%0.197CC..  trans-115.2102.5179.8-175.8-175.3-55.1160.90110.1V4 S6 E53 S54 R55V4-K48 WeakPolarHBondContact O-CB 3.19Å; V4-K48 PolarHBondContact O-N 2.95Å; S6-K48 WeakPolarHBondContact OG-CE 3.34Å; S6-K48 PolarHBondContact OG-NZ 2.79Å; K48-E53 HydrophobicContact CD-CB 4.43Å; K48-E53 WeakPolarHBondContact CG-OE2 3.5Å; K48-S54 VanDerWaalsContact CD-OG 3.27Å; K48-S54 WeakPolarHBondContact CD-OG 3.47Å; K48-S54 PolarHBondContact NZ-OG 3.09Å; K48-S54 VanDerWaalsContact NZ-OG 3.14Å; K48-R55 HydrophobicContact CD-CG 3.97Å; K48-R55 HydrophobicContact CG-CG 4.25Å; K48-R55 WeakPolarHBondContact O-CD 3.31Å; K48-R55 PolarHBondContact O-NH1 3.46Å
49L97.3Very high95.4Very high3 Ų341.3 Ų41.32%0.01623%0.23CC..  trans-80158.3176.9-54.2-177.3000111.3V47 R52 F61 I67 F91V47-L49 HydrophobicContact CG1-CD2 3.77Å; V47-L49 HydrophobicContact CG1-CG 4.46Å; L49-R52 VanDerWaalsContact CB-CZ 3.43Å; L49-F61 HydrophobicContact CD2-CD2 4.38Å; L49-F61 HydrophobicContact CD2-CE2 4.04Å; L49-I67 HydrophobicContact CD2-CG2 3.86Å; L49-F91 HydrophobicContact CD1-CD1 4.45Å; L49-F91 HydrophobicContact CD1-CE1 3.58Å; L49-F91 HydrophobicContact CD1-CZ 4.39Å
50P97Very high95.8Very high3 Ų342.6 Ų42.62%0.01923%0.233CC..THydrogen-bonded Turntrans-66.9165.817829.8-36.8000113.2R52 E58 P59 F61P50-R52 VanDerWaalsContact C-N 3.29Å; P50-R52 PolarHBondContact O-N 3.23Å; P50-E58 HydrophobicContact CB-CB 3.6Å; P50-P59 WeakPolarHBondContact CB-O 3.38Å; P50-P59 VanDerWaalsContact CG-O 3.25Å; P50-P59 WeakPolarHBondContact CG-O 3.47Å; P50-F61 VanDerWaalsContact CD-CD2 3.49Å; P50-F61 HydrophobicContact CG-CD1 4.41Å; P50-F61 HydrophobicContact CG-CD2 3.7Å; P50-F61 HydrophobicContact CG-CE1 4.39Å; P50-F61 HydrophobicContact CG-CE2 3.7Å; P50-F61 HydrophobicContact CG-CG 4.12Å; P50-F61 HydrophobicContact CG-CZ 4.08Å
51G94.6Very high96.1Very high11 Ų1139.3 Ų39.311%0.11321%0.207CC..THydrogen-bonded Turntrans78.49.8177.500000115R55 E58 F60G51-R55 WeakPolarHBondContact CA-O 3.34Å; G51-R55 PolarHBondContact N-O 3Å; G51-E58 PolarHBondContact N-O 3.28Å; G51-F60 VanDerWaalsContact CA-CE1 3.46Å
52R92.4Very high96.3Very high20 Ų2043.8 Ų43.88%0.07523%0.229CC..SBendtrans-151.1166.117557.9-168.4174.3-107.836.4112.2G26 L49 P50 S54 R55 A56 D172G26-R52 WeakPolarHBondContact O-CD 3.36Å; G26-R52 VanDerWaalsContact O-CZ 3.3Å; G26-R52 PolarHBondContact O-NE 2.82Å; G26-R52 PolarHBondContact O-NH2 3.13Å; L49-R52 VanDerWaalsContact CB-CZ 3.43Å; P50-R52 VanDerWaalsContact C-N 3.29Å; P50-R52 PolarHBondContact O-N 3.23Å; R52-S54 PolarHBondContact O-N 2.94Å; R52-R55 CarbonylContact O-C 3.5Å; R52-R55 VanDerWaalsContact O-C 3.31Å; R52-R55 WeakPolarHBondContact O-CA 3.37Å; R52-R55 WeakPolarHBondContact O-CB 3.44Å; R52-R55 PolarHBondContact O-N 3.42Å; R52-A56 PolarHBondContact O-N 3.14Å; R52-D172 IonicContact CZ-OD2 3.97Å; R52-D172 IonicContact NH1-OD1 3.55Å; R52-D172 PolarHBondContact NH1-OD1 3.31Å; R52-D172 IonicContact NH1-OD2 3.33Å; R52-D172 PolarHBondContact NH1-OD2 3.46Å; R52-D172 VanDerWaalsContact NH1-OD2 3.12Å; R52-D172 IonicContact NH2-OD2 2.94Å; R52-D172 PolarHBondContact NH2-OD2 3.05Å
53E93.1Very high96.3Very high60 Ų6047 Ų4728%0.2825%0.246SC..G310 helixtrans51.6-135.7179-56.4-179.4150.700111.5G27 S28 I29 K48 R55 A56G27-E53 WeakPolarHBondContact CA-OE1 3.38Å; S28-E53 WeakPolarHBondContact CB-OE2 3.44Å; S28-E53 VanDerWaalsContact N-CD 3.34Å; S28-E53 PolarHBondContact N-OE1 2.94Å; S28-E53 PolarHBondContact N-OE2 3.43Å; S28-E53 PolarHBondContact OG-OE1 2.67Å; S28-E53 PolarHBondContact OG-OE2 2.95Å; I29-E53 WeakPolarHBondContact CG1-OE1 3.24Å; I29-E53 PolarHBondContact N-OE1 2.7Å; K48-E53 HydrophobicContact CD-CB 4.43Å; K48-E53 WeakPolarHBondContact CG-OE2 3.5Å; E53-R55 PolarHBondContact O-N 2.97Å; E53-A56 WeakPolarHBondContact O-CB 3.31Å; E53-A56 PolarHBondContact O-N 2.79Å
54S94.8Very high96.4Very high93 Ų9347.4 Ų47.465%0.6525%0.248SC*.G310 helixtrans-65.7-6.8177.161.70000114.1K48 R52K48-S54 VanDerWaalsContact CD-OG 3.27Å; K48-S54 WeakPolarHBondContact CD-OG 3.47Å; K48-S54 PolarHBondContact NZ-OG 3.09Å; K48-S54 VanDerWaalsContact NZ-OG 3.14Å; R52-S54 PolarHBondContact O-N 2.94Å
55R95.5Very high96.4Very high5 Ų551.6 Ų51.62%0.01927%0.267CS..G310 helixtrans-110.518.3179.2-54.4-175.171178.6-2.1112.8K3 K48 G51 R52 E53 R57 E58 E70K3-R55 VanDerWaalsContact CE-NH2 3.33Å; K3-R55 VanDerWaalsContact NZ-NH2 3.15Å; K3-R55 WeakPolarHBondContact O-CD 3.34Å; K48-R55 HydrophobicContact CD-CG 3.97Å; K48-R55 HydrophobicContact CG-CG 4.25Å; K48-R55 WeakPolarHBondContact O-CD 3.31Å; K48-R55 PolarHBondContact O-NH1 3.46Å; G51-R55 WeakPolarHBondContact CA-O 3.34Å; G51-R55 PolarHBondContact N-O 3Å; R52-R55 CarbonylContact O-C 3.5Å; R52-R55 VanDerWaalsContact O-C 3.31Å; R52-R55 WeakPolarHBondContact O-CA 3.37Å; R52-R55 WeakPolarHBondContact O-CB 3.44Å; R52-R55 PolarHBondContact O-N 3.42Å; E53-R55 PolarHBondContact O-N 2.97Å; R55-R57 PolarHBondContact O-N 2.82Å; R55-E58 HydrophobicContact CB-CG 4.38Å; R55-E58 WeakPolarHBondContact CB-OE1 3.39Å; R55-E58 VanDerWaalsContact CG-OE1 3.3Å; R55-E58 WeakPolarHBondContact CG-OE1 3.24Å; R55-E58 IonicContact CZ-OE1 3.49Å; R55-E58 IonicContact CZ-OE2 2.93Å; R55-E58 VanDerWaalsContact NE-CD 3.31Å; R55-E58 IonicContact NE-OE1 3.78Å; R55-E58 PolarHBondContact NE-OE1 3.28Å; R55-E58 IonicContact NE-OE2 3.45Å; R55-E58 PolarHBondContact NE-OE2 3.4Å; R55-E58 IonicContact NH2-OE1 3.51Å; R55-E58 IonicContact NH2-OE2 3.12Å; R55-E58 PolarHBondContact NH2-OE2 2.86Å; R55-E58 WeakPolarHBondContact O-CB 3.38Å; R55-E58 PolarHBondContact O-N 2.95Å; R55-E70 IonicContact CZ-OE1 3.72Å; R55-E70 IonicContact CZ-OE2 2.84Å; R55-E70 VanDerWaalsContact CZ-OE2 3.28Å; R55-E70 IonicContact NH1-OE1 2.81Å; R55-E70 IonicContact NH1-OE2 3.36Å; R55-E70 PolarHBondContact NH1-OE2 2.87Å; R55-E70 VanDerWaalsContact NH2-CD 3.31Å; R55-E70 IonicContact NH2-OE1 3.75Å; R55-E70 PolarHBondContact NH2-OE1 3.41Å; R55-E70 IonicContact NH2-OE2 3.67Å; R55-E70 PolarHBondContact NH2-OE2 3.35Å
56A93.5Very high96.4Very high61 Ų6154.8 Ų54.850%0.50428%0.282SS..THydrogen-bonded Turntrans-57.6-23.5-174.100000115.4R52 E53R52-A56 PolarHBondContact O-N 3.14Å; E53-A56 WeakPolarHBondContact O-CB 3.31Å; E53-A56 PolarHBondContact O-N 2.79Å
57R94.4Very high96.4Very high252 Ų25254.8 Ų54.895%0.95128%0.282SS*.THydrogen-bonded Turntrans-93.8-6.2178.7-63.6-175.2178.8-178.7-0.4113.9R55R55-R57 PolarHBondContact O-N 2.82Å
58E97.1Very high96.4Very high55 Ų5554.9 Ų54.926%0.25728%0.283SS..SBendtrans-81145177.6-66.2-175.8-123.500110.5K3 P50 G51 R55K3-E58 WeakPolarHBondContact CE-OE1 3.23Å; K3-E58 WeakPolarHBondContact CE-OE2 3.41Å; K3-E58 IonicContact NZ-OE1 3.83Å; K3-E58 IonicContact NZ-OE2 2.73Å; K3-E58 PolarHBondContact NZ-OE2 3.11Å; P50-E58 HydrophobicContact CB-CB 3.6Å; G51-E58 PolarHBondContact N-O 3.28Å; R55-E58 HydrophobicContact CB-CG 4.38Å; R55-E58 WeakPolarHBondContact CB-OE1 3.39Å; R55-E58 VanDerWaalsContact CG-OE1 3.3Å; R55-E58 WeakPolarHBondContact CG-OE1 3.24Å; R55-E58 IonicContact CZ-OE1 3.49Å; R55-E58 IonicContact CZ-OE2 2.93Å; R55-E58 VanDerWaalsContact NE-CD 3.31Å; R55-E58 IonicContact NE-OE1 3.78Å; R55-E58 PolarHBondContact NE-OE1 3.28Å; R55-E58 IonicContact NE-OE2 3.45Å; R55-E58 PolarHBondContact NE-OE2 3.4Å; R55-E58 IonicContact NH2-OE1 3.51Å; R55-E58 IonicContact NH2-OE2 3.12Å; R55-E58 PolarHBondContact NH2-OE2 2.86Å; R55-E58 WeakPolarHBondContact O-CB 3.38Å; R55-E58 PolarHBondContact O-N 2.95Å
59P97.1Very high96.4Very high110 Ų11057.8 Ų57.871%0.71430%0.3SS*.PPolyproline II helixtrans-62.4145.5175.327.8-34.7000110.9P50P50-P59 WeakPolarHBondContact CB-O 3.38Å; P50-P59 VanDerWaalsContact CG-O 3.25Å; P50-P59 WeakPolarHBondContact CG-O 3.47Å
60F97.6Very high96.5Very high72 Ų7259.6 Ų59.632%0.31631%0.308SS..PPolyproline II helixtrans-64.3160173.4-47.9-66.9000111G51 P167 A168 A171G51-F60 VanDerWaalsContact CA-CE1 3.46Å; F60-P167 HydrophobicContact CE2-CB 3.86Å; F60-P167 HydrophobicContact CZ-CB 3.67Å; F60-A168 HydrophobicContact CD1-CB 4.27Å; F60-A168 VanDerWaalsContact CE1-CA 3.48Å; F60-A168 HydrophobicContact CE1-CB 3.67Å; F60-A168 HydrophobicContact CZ-CB 4.42Å; F60-A171 HydrophobicContact CB-CB 3.51Å; F60-A171 HydrophobicContact CD1-CB 4.17Å; F60-A171 HydrophobicContact CD2-CB 3.85Å; F60-A171 HydrophobicContact CG-CB 3.57Å
61F98Very high96.5Very high26 Ų2659.5 Ų59.511%0.11431%0.307CS..PPolyproline II helixtrans-74.8143.4169.7-68.7-56.7000111.6L49 P50 Q66 I67 E70 V175L49-F61 HydrophobicContact CD2-CD2 4.38Å; L49-F61 HydrophobicContact CD2-CE2 4.04Å; P50-F61 VanDerWaalsContact CD-CD2 3.49Å; P50-F61 HydrophobicContact CG-CD1 4.41Å; P50-F61 HydrophobicContact CG-CD2 3.7Å; P50-F61 HydrophobicContact CG-CE1 4.39Å; P50-F61 HydrophobicContact CG-CE2 3.7Å; P50-F61 HydrophobicContact CG-CG 4.12Å; P50-F61 HydrophobicContact CG-CZ 4.08Å; F61-Q66 HydrophobicContact CB-CB 4.44Å; F61-Q66 HydrophobicContact CD1-CB 3.42Å; F61-Q66 VanDerWaalsContact CD1-CB 3.42Å; F61-Q66 HydrophobicContact CD1-CG 4.39Å; F61-Q66 HydrophobicContact CE1-CB 3.82Å; F61-Q66 HydrophobicContact CG-CB 4.18Å; F61-I67 HydrophobicContact CB-CG1 3.97Å; F61-I67 HydrophobicContact CD2-CB 4.39Å; F61-I67 HydrophobicContact CD2-CD1 4.35Å; F61-I67 HydrophobicContact CD2-CG1 3.41Å; F61-I67 VanDerWaalsContact CD2-CG1 3.41Å; F61-I67 HydrophobicContact CE2-CB 4.44Å; F61-I67 HydrophobicContact CE2-CG1 3.91Å; F61-I67 HydrophobicContact CG-CG1 3.8Å; F61-E70 HydrophobicContact CZ-CB 4.01Å; F61-E70 VanDerWaalsContact CZ-OE2 3.25Å; F61-E70 WeakPolarHBondContact CZ-OE2 3.42Å; F61-V175 WeakPolarHBondContact O-CG2 3.33Å
62D96.1Very high96.7Very high121 Ų12159.4 Ų59.465%0.64730%0.304SS*.SBendtrans-93.4-26.2179.9-63.5-51.8000112.4
63N97.3Very high96.9Very high67 Ų6763.1 Ų63.136%0.35833%0.333SS..SBendtrans-151.2167.6-177.264.869.9000112.8Q65 Q66N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.42Å; N63-Q65 PolarHBondContact OD1-N 3.23Å; N63-Q66 PolarHBondContact O-N 3.19Å; N63-Q66 PolarHBondContact OD1-N 2.84Å; N63-Q66 VanDerWaalsContact OD1-N 3.08Å
64M98Very high97.1Very high11 Ų1161.2 Ų61.25%0.05433%0.327CS..Hα-helixtrans-65.4-35.2-176.2-171.162.976.800112.2Q66 I67 V68 L94 T95 A98 V175 Y179M64-Q66 VanDerWaalsContact C-N 3.32Å; M64-Q66 PolarHBondContact O-N 3.33Å; M64-I67 WeakPolarHBondContact O-CB 3.46Å; M64-I67 PolarHBondContact O-N 3.03Å; M64-I67 VanDerWaalsContact O-N 3.08Å; M64-I67 HydrophobicContact SD-CD1 4.12Å; M64-V68 HydrophobicContact CG-CG2 4.33Å; M64-V68 WeakPolarHBondContact O-CG2 3.16Å; M64-V68 PolarHBondContact O-N 2.85Å; M64-L94 HydrophobicContact CE-CB 4.41Å; M64-T95 HydrophobicContact SD-CG2 4.22Å; M64-A98 HydrophobicContact CG-CB 3.6Å; M64-A98 HydrophobicContact SD-CB 4.01Å; M64-V175 HydrophobicContact CB-CG1 4.16Å; M64-V175 HydrophobicContact CE-CG1 4.19Å; M64-V175 HydrophobicContact SD-CG1 4.45Å; M64-Y179 HydrophobicContact CB-CD2 3.71Å; M64-Y179 HydrophobicContact CB-CE2 4.25Å; M64-Y179 HydrophobicContact CB-CG 4.19Å; M64-Y179 HydrophobicContact CE-CD1 3.89Å; M64-Y179 HydrophobicContact CE-CD2 4.49Å; M64-Y179 HydrophobicContact CE-CE1 4.4Å; M64-Y179 HydrophobicContact CE-CG 3.94Å; M64-Y179 HydrophobicContact CG-CD2 3.84Å; M64-Y179 HydrophobicContact CG-CE2 3.96Å; M64-Y179 HydrophobicContact CG-CG 4.24Å
65Q97.7Very high97.2Very high90 Ų9056.9 Ų56.942%0.42130%0.297SS..Hα-helixtrans-62-40.6-178-168.264.748.400111.5N63 I67 V68 D69N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.42Å; N63-Q65 PolarHBondContact OD1-N 3.23Å; Q65-I67 PolarHBondContact O-N 3.26Å; Q65-V68 PolarHBondContact O-N 3.36Å; Q65-V68 VanDerWaalsContact O-N 3.13Å; Q65-D69 PolarHBondContact NE2-OD1 3Å; Q65-D69 WeakPolarHBondContact O-CB 3.29Å; Q65-D69 PolarHBondContact O-N 2.92Å
66Q98.3Very high97.2Very high66 Ų6658 Ų5831%0.30830%0.303SS..Hα-helixtrans-59.9-34.8176.3-68.5175.6-26.400112.7F61 N63 M64 E70F61-Q66 HydrophobicContact CB-CB 4.44Å; F61-Q66 HydrophobicContact CD1-CB 3.42Å; F61-Q66 VanDerWaalsContact CD1-CB 3.42Å; F61-Q66 HydrophobicContact CD1-CG 4.39Å; F61-Q66 HydrophobicContact CE1-CB 3.82Å; F61-Q66 HydrophobicContact CG-CB 4.18Å; N63-Q66 PolarHBondContact O-N 3.19Å; N63-Q66 PolarHBondContact OD1-N 2.84Å; N63-Q66 VanDerWaalsContact OD1-N 3.08Å; M64-Q66 VanDerWaalsContact C-N 3.32Å; M64-Q66 PolarHBondContact O-N 3.33Å; Q66-E70 PolarHBondContact O-N 3.39Å
67I98.4Very high97.3Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-69.4-47.7175.6-56.2168.3000109.9L49 F61 M64 Q65 E70 V71 F91 T95 V175L49-I67 HydrophobicContact CD2-CG2 3.86Å; F61-I67 HydrophobicContact CB-CG1 3.97Å; F61-I67 HydrophobicContact CD2-CB 4.39Å; F61-I67 HydrophobicContact CD2-CD1 4.35Å; F61-I67 HydrophobicContact CD2-CG1 3.41Å; F61-I67 VanDerWaalsContact CD2-CG1 3.41Å; F61-I67 HydrophobicContact CE2-CB 4.44Å; F61-I67 HydrophobicContact CE2-CG1 3.91Å; F61-I67 HydrophobicContact CG-CG1 3.8Å; M64-I67 WeakPolarHBondContact O-CB 3.46Å; M64-I67 PolarHBondContact O-N 3.03Å; M64-I67 VanDerWaalsContact O-N 3.08Å; M64-I67 HydrophobicContact SD-CD1 4.12Å; Q65-I67 PolarHBondContact O-N 3.26Å; I67-E70 PolarHBondContact O-N 3.43Å; I67-V71 HydrophobicContact CG2-CG2 4.13Å; I67-V71 WeakPolarHBondContact O-CB 3.31Å; I67-V71 VanDerWaalsContact O-CG2 3.23Å; I67-V71 WeakPolarHBondContact O-CG2 3.48Å; I67-V71 PolarHBondContact O-N 2.97Å; I67-F91 HydrophobicContact CD1-CE1 4.25Å; I67-F91 HydrophobicContact CD1-CZ 3.58Å; I67-T95 HydrophobicContact CB-CG2 4.36Å; I67-T95 HydrophobicContact CG2-CG2 3.41Å; I67-T95 VanDerWaalsContact CG2-CG2 3.41Å; I67-V175 HydrophobicContact CD1-CG1 3.89Å
68V98.3Very high97.2Very high3 Ų348.2 Ų48.22%0.01827%0.266CS..Hα-helixtrans-56.9-51.2178.7171.40000110.5M64 Q65 E70 V71 I72 A98 V99 D102M64-V68 HydrophobicContact CG-CG2 4.33Å; M64-V68 WeakPolarHBondContact O-CG2 3.16Å; M64-V68 PolarHBondContact O-N 2.85Å; Q65-V68 PolarHBondContact O-N 3.36Å; Q65-V68 VanDerWaalsContact O-N 3.13Å; V68-E70 PolarHBondContact O-N 2.88Å; V68-V71 PolarHBondContact O-N 3.43Å; V68-I72 HydrophobicContact CG1-CD1 3.61Å; V68-I72 HydrophobicContact CG1-CG1 4.37Å; V68-I72 WeakPolarHBondContact O-CB 3.4Å; V68-I72 WeakPolarHBondContact O-CG1 3.31Å; V68-I72 PolarHBondContact O-N 3.29Å; V68-A98 HydrophobicContact CG2-CB 3.7Å; V68-V99 HydrophobicContact CG2-CG2 4.1Å; V68-D102 HydrophobicContact CG1-CB 3.48Å; V68-D102 VanDerWaalsContact CG1-CB 3.48Å
69D98.3Very high97Very high85 Ų8546 Ų4646%0.45526%0.255SS..Hα-helixtrans-58.7-48.2-178.9-66.5-14000111.7Q65 S73Q65-D69 PolarHBondContact NE2-OD1 3Å; Q65-D69 WeakPolarHBondContact O-CB 3.29Å; Q65-D69 PolarHBondContact O-N 2.92Å; D69-S73 WeakPolarHBondContact O-CB 3.35Å; D69-S73 PolarHBondContact O-N 3.28Å
70E98.3Very high96.9Very high40 Ų4047.1 Ų47.119%0.18725%0.249CC..Hα-helixtrans-69.2-41-178.2-165.5-178.4-129.200111.6K3 V4 R55 F61 Q66 I67 V68 A74K3-E70 IonicContact NZ-OE1 3.14Å; K3-E70 PolarHBondContact NZ-OE1 3.37Å; V4-E70 HydrophobicContact CG2-CG 3.89Å; R55-E70 IonicContact CZ-OE1 3.72Å; R55-E70 IonicContact CZ-OE2 2.84Å; R55-E70 VanDerWaalsContact CZ-OE2 3.28Å; R55-E70 IonicContact NH1-OE1 2.81Å; R55-E70 IonicContact NH1-OE2 3.36Å; R55-E70 PolarHBondContact NH1-OE2 2.87Å; R55-E70 VanDerWaalsContact NH2-CD 3.31Å; R55-E70 IonicContact NH2-OE1 3.75Å; R55-E70 PolarHBondContact NH2-OE1 3.41Å; R55-E70 IonicContact NH2-OE2 3.67Å; R55-E70 PolarHBondContact NH2-OE2 3.35Å; F61-E70 HydrophobicContact CZ-CB 4.01Å; F61-E70 VanDerWaalsContact CZ-OE2 3.25Å; F61-E70 WeakPolarHBondContact CZ-OE2 3.42Å; Q66-E70 PolarHBondContact O-N 3.39Å; I67-E70 PolarHBondContact O-N 3.43Å; V68-E70 PolarHBondContact O-N 2.88Å; E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.1Å; E70-A74 PolarHBondContact O-N 2.79Å
71V98.3Very high96.6Very high2 Ų249.3 Ų49.31%0.01226%0.26CS..Hα-helixtrans-66.2-48.4179.1171.90000110.8V4 F21 V47 I67 V68 A74 L75 V99V4-V71 HydrophobicContact CG1-CG2 4.38Å; F21-V71 HydrophobicContact CE1-CG1 4.04Å; F21-V71 HydrophobicContact CE1-CG2 4.39Å; F21-V71 HydrophobicContact CZ-CG1 4.12Å; V47-V71 HydrophobicContact CG1-CG2 3.83Å; V47-V71 HydrophobicContact CG2-CG2 4.45Å; I67-V71 HydrophobicContact CG2-CG2 4.13Å; I67-V71 WeakPolarHBondContact O-CB 3.31Å; I67-V71 VanDerWaalsContact O-CG2 3.23Å; I67-V71 WeakPolarHBondContact O-CG2 3.48Å; I67-V71 PolarHBondContact O-N 2.97Å; V68-V71 PolarHBondContact O-N 3.43Å; V71-A74 PolarHBondContact O-N 3.34Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 WeakPolarHBondContact O-CB 3.5Å; V71-L75 PolarHBondContact O-N 2.88Å; V71-V99 HydrophobicContact CB-CG2 4.27Å; V71-V99 HydrophobicContact CG1-CG1 4.29Å; V71-V99 HydrophobicContact CG1-CG2 4.11Å
72I98.1Very high96.3Very high9 Ų950.6 Ų50.65%0.04627%0.266CS..Hα-helixtrans-64.6-46.5179-69.7178.9000110.1V68 A74 L75 L76 V99 D102 L103V68-I72 HydrophobicContact CG1-CD1 3.61Å; V68-I72 HydrophobicContact CG1-CG1 4.37Å; V68-I72 WeakPolarHBondContact O-CB 3.4Å; V68-I72 WeakPolarHBondContact O-CG1 3.31Å; V68-I72 PolarHBondContact O-N 3.29Å; I72-A74 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 2.89Å; I72-L76 HydrophobicContact CG2-CB 4.17Å; I72-L76 HydrophobicContact CG2-CD2 4.45Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 PolarHBondContact O-N 2.76Å; I72-V99 HydrophobicContact CG1-CG1 4.12Å; I72-D102 HydrophobicContact CD1-CB 3.74Å; I72-D102 WeakPolarHBondContact CD1-OD1 2.94Å; I72-L103 HydrophobicContact CD1-CD2 4.05Å; I72-L103 HydrophobicContact CD1-CG 3.89Å; I72-L103 HydrophobicContact CG1-CD2 3.99Å; I72-L103 HydrophobicContact CG1-CG 4.08Å; I72-L103 HydrophobicContact CG2-CD2 4.19Å
73S97.1Very high96.3Very high98 Ų9847 Ų4769%0.68525%0.249SC*.Hα-helixtrans-55.4-39.6176.4-176.60000112.2D69D69-S73 WeakPolarHBondContact O-CB 3.35Å; D69-S73 PolarHBondContact O-N 3.28Å
74A97.2Very high96.4Very high19 Ų1944.1 Ų44.116%0.15723%0.233CC..Hα-helixtrans-76.4-30-179.400000114.4V4 E70 V71 I72V4-A74 HydrophobicContact CB-CB 3.88Å; V4-A74 HydrophobicContact CG1-CB 4.05Å; V4-A74 HydrophobicContact CG2-CB 3.92Å; E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.1Å; E70-A74 PolarHBondContact O-N 2.79Å; V71-A74 PolarHBondContact O-N 3.34Å; I72-A74 PolarHBondContact O-N 2.85Å
75L96.5Very high96.4Very high3 Ų343.6 Ų43.62%0.01623%0.231CC..Hα-helixtrans-109.7-24-169.9-70.2-177.6000114.5I5 I19 F45 V71 I72 P77 L78 L79I5-L75 HydrophobicContact CD1-CD1 3.93Å; I5-L75 HydrophobicContact CD1-CD2 3.69Å; I5-L75 HydrophobicContact CD1-CG 4Å; I5-L75 HydrophobicContact CG1-CD2 3.67Å; I5-L75 HydrophobicContact CG1-CG 4.36Å; I19-L75 HydrophobicContact CG1-CD1 4.18Å; I19-L75 HydrophobicContact CG2-CD1 3.89Å; F45-L75 HydrophobicContact CD2-CD2 3.88Å; F45-L75 HydrophobicContact CE2-CD2 4.32Å; V71-L75 HydrophobicContact CG1-CD1 3.85Å; V71-L75 WeakPolarHBondContact O-CB 3.5Å; V71-L75 PolarHBondContact O-N 2.88Å; I72-L75 PolarHBondContact O-N 2.89Å; L75-P77 VanDerWaalsContact C-CD 3.42Å; L75-P77 VanDerWaalsContact C-N 3.34Å; L75-P77 VanDerWaalsContact O-N 3.13Å; L75-L78 HydrophobicContact CD2-CD1 4.14Å; L75-L78 WeakPolarHBondContact O-CA 3.34Å; L75-L78 WeakPolarHBondContact O-CB 3.17Å; L75-L78 PolarHBondContact O-N 3.24Å; L75-L79 HydrophobicContact CB-CD1 4.01Å; L75-L79 HydrophobicContact CB-CD2 4.42Å; L75-L79 HydrophobicContact CB-CG 3.98Å; L75-L79 WeakPolarHBondContact O-CG 2.98Å; L75-L79 PolarHBondContact O-N 3.33Å
76L96.3Very high96.4Very high29 Ų2939.4 Ų39.415%0.15221%0.211CC..Hα-helixtrans-50.1-42.4-170.7-17966.1000114.5I72 L78 L79 K80 L103 H107 L109I72-L76 HydrophobicContact CG2-CB 4.17Å; I72-L76 HydrophobicContact CG2-CD2 4.45Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 PolarHBondContact O-N 2.76Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L76-L79 PolarHBondContact O-N 2.86Å; L76-K80 WeakPolarHBondContact O-CG 3.48Å; L76-K80 PolarHBondContact O-N 3.23Å; L76-L103 HydrophobicContact CD1-CD2 4.09Å; L76-H107 HydrophobicContact CD1-CB 4.2Å; L76-L109 HydrophobicContact CD1-CD1 3.58Å
77P94.1Very high96.5Very high82 Ų8236.2 Ų36.253%0.53220%0.197SC..Hα-helixtrans-59.2-43.1175.7-24.135.3000112.3L75 K80L75-P77 VanDerWaalsContact C-CD 3.42Å; L75-P77 VanDerWaalsContact C-N 3.34Å; L75-P77 VanDerWaalsContact O-N 3.13Å; P77-K80 PolarHBondContact O-N 2.62Å
78L92.7Very high96.5Very high24 Ų2436.2 Ų36.213%0.12620%0.197CC..Hα-helixtrans-70.3-42.9-178.7-55.9167.2000110.6M1 R17 F45 L75 L76 K80 E81M1-L78 HydrophobicContact CG-CD1 4.17Å; M1-L78 HydrophobicContact SD-CD1 3.34Å; M1-L78 WeakPolarHBondContact SD-CD1 3.41Å; R17-L78 VanDerWaalsContact NH1-C 3.33Å; R17-L78 PolarHBondContact NH1-O 3.44Å; F45-L78 HydrophobicContact CE2-CD1 3.84Å; F45-L78 HydrophobicContact CZ-CD1 4.44Å; L75-L78 HydrophobicContact CD2-CD1 4.14Å; L75-L78 WeakPolarHBondContact O-CA 3.34Å; L75-L78 WeakPolarHBondContact O-CB 3.17Å; L75-L78 PolarHBondContact O-N 3.24Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L78-K80 PolarHBondContact O-N 2.82Å; L78-K80 VanDerWaalsContact O-N 3.09Å; L78-E81 WeakPolarHBondContact O-CB 3.47Å; L78-E81 PolarHBondContact O-N 2.67Å
79L94.1Very high96.5Very high8 Ų836.1 Ų36.14%0.04220%0.196CC..Hα-helixtrans-62.7-18.6-179.8-58.5-177.3000113.2I19 L75 L76 F84 L103I19-L79 HydrophobicContact CD1-CD2 3.88Å; I19-L79 HydrophobicContact CG1-CD2 4.33Å; L75-L79 HydrophobicContact CB-CD1 4.01Å; L75-L79 HydrophobicContact CB-CD2 4.42Å; L75-L79 HydrophobicContact CB-CG 3.98Å; L75-L79 WeakPolarHBondContact O-CG 2.98Å; L75-L79 PolarHBondContact O-N 3.33Å; L76-L79 PolarHBondContact O-N 2.86Å; L79-F84 HydrophobicContact CB-CD1 4.01Å; L79-F84 HydrophobicContact CB-CE1 3.98Å; L79-F84 HydrophobicContact CD1-CE2 4.39Å; L79-F84 HydrophobicContact CD1-CZ 4.31Å; L79-F84 HydrophobicContact CD2-CB 3.98Å; L79-F84 HydrophobicContact CD2-CD1 3.94Å; L79-F84 HydrophobicContact CD2-CD2 4.01Å; L79-F84 HydrophobicContact CD2-CE1 4.44Å; L79-F84 HydrophobicContact CD2-CE2 4.49Å; L79-F84 HydrophobicContact CD2-CG 3.71Å; L79-F84 HydrophobicContact CG-CD1 4.42Å; L79-L103 HydrophobicContact CD1-CD1 3.75Å; L79-L103 HydrophobicContact CD1-CD2 4.07Å
80K93.6Very high96.4Very high134 Ų13433.4 Ų33.458%0.58318%0.183SC*.THydrogen-bonded Turntrans-83.1-17.9173.8-71.1177.4179.6-1770113.8L76 P77 L78 L109L76-K80 WeakPolarHBondContact O-CG 3.48Å; L76-K80 PolarHBondContact O-N 3.23Å; P77-K80 PolarHBondContact O-N 2.62Å; L78-K80 PolarHBondContact O-N 2.82Å; L78-K80 VanDerWaalsContact O-N 3.09Å; K80-L109 HydrophobicContact CG-CD1 3.71Å; K80-L109 HydrophobicContact CG-CD2 4.48Å
81E93Very high96.4Very high118 Ų11831.7 Ų31.755%0.55118%0.175SC*.THydrogen-bonded Turntrans-82.7-35.2-175.5-65.4166.6-178.500112.4R17 L78R17-E81 IonicContact CZ-OE2 3.99Å; R17-E81 IonicContact NH1-OE2 3Å; R17-E81 IonicContact NH2-OE2 3.72Å; R17-E81 PolarHBondContact NH2-OE2 3.07Å; L78-E81 WeakPolarHBondContact O-CB 3.47Å; L78-E81 PolarHBondContact O-N 2.67Å
82K91.8Very high96.4Very high54 Ų5431.6 Ų31.624%0.23518%0.175CC..SBendtrans-148151.9-169.8-61.6-169.5166.5-170.20111.8P12 A14P12-K82 PolarHBondContact O-NZ 3.15Å; A14-K82 VanDerWaalsContact O-CD 3.23Å; A14-K82 WeakPolarHBondContact O-CD 3.48Å; A14-K82 WeakPolarHBondContact O-CE 3.23Å; A14-K82 PolarHBondContact O-NZ 3.18Å
83P95.8Very high96.4Very high46 Ų4631.1 Ų31.130%0.29917%0.173SC..  trans-48.3143.2167.1-28.536.1000112.5T16 R17 I112T16-P83 WeakPolarHBondContact CA-O 3.43Å; R17-P83 PolarHBondContact N-O 2.9Å; P83-I112 HydrophobicContact CB-CD1 4.05Å; P83-I112 HydrophobicContact CB-CG2 3.76Å
84F97.9Very high96.4Very high5 Ų526.9 Ų26.92%0.02214%0.142CC..EExtended strand (participates in β ladder)trans-140.3148.6178.970.3-87.5000112R17 I19 L79 L86 L103 E110 P111 I112R17-F84 HydrophobicContact CB-CB 4.25Å; R17-F84 CarbonylContact O-C 3.46Å; R17-F84 WeakPolarHBondContact O-CA 3.32Å; I19-F84 HydrophobicContact CD1-CB 3.59Å; I19-F84 HydrophobicContact CD1-CD2 3.98Å; I19-F84 HydrophobicContact CD1-CG 4.17Å; L79-F84 HydrophobicContact CB-CD1 4.01Å; L79-F84 HydrophobicContact CB-CE1 3.98Å; L79-F84 HydrophobicContact CD1-CE2 4.39Å; L79-F84 HydrophobicContact CD1-CZ 4.31Å; L79-F84 HydrophobicContact CD2-CB 3.98Å; L79-F84 HydrophobicContact CD2-CD1 3.94Å; L79-F84 HydrophobicContact CD2-CD2 4.01Å; L79-F84 HydrophobicContact CD2-CE1 4.44Å; L79-F84 HydrophobicContact CD2-CE2 4.49Å; L79-F84 HydrophobicContact CD2-CG 3.71Å; L79-F84 HydrophobicContact CG-CD1 4.42Å; F84-L86 HydrophobicContact CD2-CD2 3.7Å; F84-L86 HydrophobicContact CD2-CG 4.38Å; F84-L86 HydrophobicContact CE2-CD2 3.86Å; F84-L86 HydrophobicContact CE2-CG 4.32Å; F84-L103 HydrophobicContact CE2-CD1 4.05Å; F84-L103 HydrophobicContact CZ-CD1 3.9Å; F84-E110 VanDerWaalsContact CZ-C 3.47Å; F84-P111 HydrophobicContact CD2-CB 3.87Å; F84-P111 HydrophobicContact CE2-CB 3.63Å; F84-P111 HydrophobicContact CE2-CG 4.26Å; F84-P111 HydrophobicContact CZ-CB 4.31Å; F84-P111 CarbonylContact O-C 3.52Å; F84-P111 WeakPolarHBondContact O-CA 3.27Å; F84-P111 WeakPolarHBondContact O-CB 3.47Å; F84-I112 WeakPolarHBondContact O-CG1 3.38Å; F84-I112 PolarHBondContact O-N 3.14Å
85A98.5Very high96.5Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-120.8154.3171.600000109.9R17 L18 I19 I112 H113 F115 L246R17-A85 PolarHBondContact O-N 2.84Å; L18-A85 HydrophobicContact CD1-CB 4.09Å; I19-A85 WeakPolarHBondContact CD1-O 3.44Å; I19-A85 PolarHBondContact N-O 3.04Å; A85-I112 HydrophobicContact CB-CG1 4.3Å; A85-H113 VanDerWaalsContact CA-O 3.31Å; A85-H113 WeakPolarHBondContact CA-O 3.35Å; A85-H113 HydrophobicContact CB-CB 4.26Å; A85-H113 WeakPolarHBondContact CB-O 3.42Å; A85-F115 HydrophobicContact CB-CE2 4.18Å; A85-L246 HydrophobicContact CB-CD2 3.48Å; A85-L246 VanDerWaalsContact CB-CD2 3.48Å
86L98.9Very high96.6Very high2 Ų225.9 Ų25.91%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-112.8136.4177.9-49.5-177.7000110.3I19 F21 F84 S96 A100 P111 H113 F115I19-L86 HydrophobicContact CB-CD2 3.81Å; I19-L86 HydrophobicContact CD1-CD2 4.11Å; I19-L86 HydrophobicContact CG1-CD2 4.3Å; I19-L86 WeakPolarHBondContact O-CA 3.4Å; F21-L86 HydrophobicContact CE2-CB 4.36Å; F21-L86 HydrophobicContact CE2-CD2 4.05Å; F84-L86 HydrophobicContact CD2-CD2 3.7Å; F84-L86 HydrophobicContact CD2-CG 4.38Å; F84-L86 HydrophobicContact CE2-CD2 3.86Å; F84-L86 HydrophobicContact CE2-CG 4.32Å; L86-S96 VanDerWaalsContact CD1-O 3.3Å; L86-S96 WeakPolarHBondContact CD1-O 3.26Å; L86-A100 HydrophobicContact CD1-CB 3.79Å; L86-P111 HydrophobicContact CD1-CG 4.16Å; L86-P111 HydrophobicContact CG-CB 4Å; L86-P111 HydrophobicContact CG-CG 4.14Å; L86-H113 PolarHBondContact N-O 2.98Å; L86-H113 VanDerWaalsContact N-O 3.1Å; L86-F115 PolarHBondContact O-N 3.46Å
87F98.9Very high96.7Very high0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-121133168.5178.9-81.1000109.6L18 I19 C20 F21 Y31 W34 H89 F115 F196 L229 L238 I242L18-F87 HydrophobicContact CD1-CB 4.04Å; I19-F87 PolarHBondContact O-N 2.9Å; C20-F87 CarbonylContact C-O 3.53Å; C20-F87 VanDerWaalsContact CA-O 3.29Å; C20-F87 WeakPolarHBondContact CA-O 3.39Å; F21-F87 WeakPolarHBondContact CD2-O 3.1Å; F21-F87 PolarHBondContact N-O 3.17Å; Y31-F87 HydrophobicContact CD1-CD1 4.2Å; Y31-F87 HydrophobicContact CD1-CE1 4.25Å; Y31-F87 AromaticContact CE1-CD1 3.7Å; Y31-F87 HydrophobicContact CE1-CD1 3.7Å; Y31-F87 AromaticContact CE1-CE1 3.35Å; Y31-F87 HydrophobicContact CE1-CE1 3.35Å; Y31-F87 HydrophobicContact CE1-CZ 4.37Å; Y31-F87 AromaticContact CZ-CE1 3.87Å; W34-F87 AromaticContact CH2-CD1 3.89Å; W34-F87 HydrophobicContact CH2-CD1 3.89Å; W34-F87 HydrophobicContact CH2-CD2 4.12Å; W34-F87 AromaticContact CH2-CE1 3.65Å; W34-F87 HydrophobicContact CH2-CE1 3.65Å; W34-F87 AromaticContact CH2-CE2 3.87Å; W34-F87 HydrophobicContact CH2-CE2 3.87Å; W34-F87 HydrophobicContact CH2-CG 4.16Å; W34-F87 AromaticContact CH2-CZ 3.64Å; W34-F87 HydrophobicContact CH2-CZ 3.64Å; W34-F87 AromaticContact CZ3-CD1 3.89Å; W34-F87 HydrophobicContact CZ3-CD1 3.89Å; W34-F87 HydrophobicContact CZ3-CD2 4.03Å; W34-F87 HydrophobicContact CZ3-CE1 4.14Å; W34-F87 HydrophobicContact CZ3-CE2 4.26Å; W34-F87 AromaticContact CZ3-CG 3.87Å; W34-F87 HydrophobicContact CZ3-CG 3.87Å; W34-F87 HydrophobicContact CZ3-CZ 4.32Å; F87-H89 HydrophobicContact CE1-CB 4.2Å; F87-F115 WeakPolarHBondContact CA-O 3.36Å; F87-F115 HydrophobicContact CB-CB 4.22Å; F87-F115 HydrophobicContact CD2-CB 3.51Å; F87-F115 HydrophobicContact CD2-CG 4.33Å; F87-F115 HydrophobicContact CE2-CB 4.27Å; F87-F115 HydrophobicContact CG-CB 4.26Å; F87-F196 HydrophobicContact CE2-CD2 4.3Å; F87-F196 HydrophobicContact CE2-CE2 4.35Å; F87-L229 HydrophobicContact CE1-CD1 4.46Å; F87-L229 HydrophobicContact CZ-CD1 4.33Å; F87-L238 HydrophobicContact CE2-CD1 4.17Å; F87-L238 HydrophobicContact CE2-CD2 4.04Å; F87-L238 HydrophobicContact CZ-CD1 4.36Å; F87-I242 HydrophobicContact CD2-CD1 3.73Å; F87-I242 HydrophobicContact CE2-CD1 4.12Å
88G98.8Very high96.8Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-143.5137.7174.900000112.3G92 A93 F115 S117G88-G92 WeakPolarHBondContact CA-O 3.46Å; G88-A93 VanDerWaalsContact C-N 3.35Å; G88-A93 WeakPolarHBondContact O-CB 3.21Å; G88-F115 PolarHBondContact N-O 3.25Å; G88-S117 WeakPolarHBondContact O-CB 3.44Å; G88-S117 PolarHBondContact O-N 2.81Å
89H98.4Very high97.1Very high0 Ų020 Ų200%010%0.099CC..EExtended strand (participates in β ladder)trans-113.4131.5174.7-176.461.7000111.6F21 W23 Y31 F87 F91 G92 S117 H226 L229F21-H89 PolarHBondContact O-N 2.97Å; W23-H89 VanDerWaalsContact CA-O 3.31Å; W23-H89 WeakPolarHBondContact CA-O 3.48Å; W23-H89 AromaticContact CE3-CD2 3.91Å; Y31-H89 WeakPolarHBondContact OH-CB 3.45Å; F87-H89 HydrophobicContact CE1-CB 4.2Å; H89-F91 PolarHBondContact O-N 2.87Å; H89-F91 VanDerWaalsContact O-N 3.17Å; H89-G92 WeakPolarHBondContact O-CA 3.43Å; H89-G92 PolarHBondContact O-N 3.03Å; H89-S117 CarbonylContact C-O 3.52Å; H89-S117 WeakPolarHBondContact CA-O 3.41Å; H89-S117 PolarHBondContact ND1-O 2.89Å; H89-S117 PolarHBondContact ND1-OG 2.67Å; H89-H226 PolarHBondContact CE1-O 3.12Å; H89-H226 PolarHBondContact NE2-O 3.04Å; H89-H226 VanDerWaalsContact NE2-O 3.15Å; H89-L229 HydrophobicContact CB-CD1 4.09Å; H89-L229 WeakPolarHBondContact NE2-CD2 3.16Å
90S96.5Very high97.3Very high28 Ų2819.6 Ų19.620%0.19610%0.097CC..THydrogen-bonded Turntrans54.3-115179.4-174.90000110.7G92 A93 S117 G118 H226S90-G92 PolarHBondContact O-N 3.21Å; S90-A93 VanDerWaalsContact O-CB 3.31Å; S90-A93 WeakPolarHBondContact O-CB 3.45Å; S90-A93 PolarHBondContact O-N 2.73Å; S90-S117 PolarHBondContact N-O 2.99Å; S90-G118 WeakPolarHBondContact CA-O 2.97Å; S90-H226 VanDerWaalsContact CB-NE2 3.29Å; S90-H226 WeakPolarHBondContact CB-NE2 3.39Å; S90-H226 PolarHBondContact OG-CE1 2.67Å; S90-H226 PolarHBondContact OG-NE2 3.32Å
91F97.1Very high97.4Very high4 Ų414.4 Ų14.42%0.0188%0.075CC..Hα-helixtrans-44.1-47.1167.7-179.9-108000113.5A24 L49 I67 H89 A93 L94 T95 D172 V175 V176A24-F91 HydrophobicContact CB-CB 3.86Å; A24-F91 HydrophobicContact CB-CG 4.19Å; A24-F91 VanDerWaalsContact N-CB 3.27Å; L49-F91 HydrophobicContact CD1-CD1 4.45Å; L49-F91 HydrophobicContact CD1-CE1 3.58Å; L49-F91 HydrophobicContact CD1-CZ 4.39Å; I67-F91 HydrophobicContact CD1-CE1 4.25Å; I67-F91 HydrophobicContact CD1-CZ 3.58Å; H89-F91 PolarHBondContact O-N 2.87Å; H89-F91 VanDerWaalsContact O-N 3.17Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.17Å; F91-L94 PolarHBondContact O-N 3.07Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.46Å; F91-T95 PolarHBondContact O-N 2.98Å; F91-T95 PolarHBondContact O-OG1 3.17Å; F91-D172 HydrophobicContact CD1-CB 4.42Å; F91-D172 HydrophobicContact CD2-CB 4.31Å; F91-D172 WeakPolarHBondContact CD2-O 3.37Å; F91-D172 HydrophobicContact CE1-CB 4.25Å; F91-D172 HydrophobicContact CE2-CB 4.15Å; F91-D172 WeakPolarHBondContact CE2-O 3.39Å; F91-D172 HydrophobicContact CG-CB 4.45Å; F91-D172 HydrophobicContact CZ-CB 4.09Å; F91-V175 HydrophobicContact CE2-CB 4.11Å; F91-V175 HydrophobicContact CE2-CG1 4.09Å; F91-V175 HydrophobicContact CZ-CB 4.47Å; F91-V175 HydrophobicContact CZ-CG1 4.33Å; F91-V176 HydrophobicContact CD2-CB 3.74Å; F91-V176 HydrophobicContact CD2-CG1 4.24Å; F91-V176 HydrophobicContact CD2-CG2 4.19Å; F91-V176 HydrophobicContact CE2-CB 4.01Å
92G98.5Very high97.6Very high0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-64.6-28.2-178.400000113.4F21 P22 G88 H89 S90 T95 S96F21-G92 WeakPolarHBondContact CB-O 3.35Å; P22-G92 VanDerWaalsContact O-CA 3.22Å; P22-G92 WeakPolarHBondContact O-CA 3.24Å; P22-G92 PolarHBondContact O-N 2.8Å; P22-G92 VanDerWaalsContact O-N 3.15Å; G88-G92 WeakPolarHBondContact CA-O 3.46Å; H89-G92 WeakPolarHBondContact O-CA 3.43Å; H89-G92 PolarHBondContact O-N 3.03Å; S90-G92 PolarHBondContact O-N 3.21Å; G92-T95 PolarHBondContact O-N 3.1Å; G92-S96 VanDerWaalsContact O-CB 3.23Å; G92-S96 WeakPolarHBondContact O-CB 3.32Å; G92-S96 PolarHBondContact O-N 2.94Å; G92-S96 PolarHBondContact O-OG 2.82Å
93A98.4Very high97.9Very high0 Ų07.8 Ų7.80%05%0.046CC..Hα-helixtrans-63.5-47.2175.100000110.1G88 S90 F91 S96 F97 L116 A119G88-A93 VanDerWaalsContact C-N 3.35Å; G88-A93 WeakPolarHBondContact O-CB 3.21Å; S90-A93 VanDerWaalsContact O-CB 3.31Å; S90-A93 WeakPolarHBondContact O-CB 3.45Å; S90-A93 PolarHBondContact O-N 2.73Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.17Å; A93-S96 PolarHBondContact O-N 2.96Å; A93-S96 PolarHBondContact O-OG 2.85Å; A93-F97 PolarHBondContact O-N 2.95Å; A93-L116 HydrophobicContact CB-CB 4.4Å; A93-L116 HydrophobicContact CB-CD2 4.01Å; A93-L116 WeakPolarHBondContact O-CD2 3.31Å; A93-A119 HydrophobicContact CB-CB 3.81Å
94L98.1Very high97.9Very high8 Ų88.2 Ų8.24%0.0424%0.043CC..Hα-helixtrans-69.2-38.1178.2-68169.2000112.3M64 F91 F97 A98 P122 R127 V176 Y179 W209M64-L94 HydrophobicContact CE-CB 4.41Å; F91-L94 PolarHBondContact O-N 3.07Å; L94-F97 PolarHBondContact O-N 2.8Å; L94-A98 WeakPolarHBondContact O-CB 3.17Å; L94-A98 PolarHBondContact O-N 3.48Å; L94-P122 HydrophobicContact CD2-CB 3.85Å; L94-P122 HydrophobicContact CD2-CG 4.31Å; L94-R127 VanDerWaalsContact CD1-NE 3.31Å; L94-V176 HydrophobicContact CB-CG2 4.13Å; L94-V176 HydrophobicContact CD1-CG2 3.18Å; L94-V176 HydrophobicContact CG-CG2 4.27Å; L94-Y179 HydrophobicContact CB-CD1 4.5Å; L94-W209 HydrophobicContact CD2-CH2 3.91Å; L94-W209 HydrophobicContact CD2-CZ2 4.03Å
95T98.4Very high97.8Very high2 Ų214.4 Ų14.41%0.0127%0.07CC..Hα-helixtrans-64.3-44.9173.5-55.30000112F21 M64 I67 F91 G92 F97 A98 V99F21-T95 HydrophobicContact CD1-CG2 3.56Å; F21-T95 HydrophobicContact CE1-CG2 3.95Å; M64-T95 HydrophobicContact SD-CG2 4.22Å; I67-T95 HydrophobicContact CB-CG2 4.36Å; I67-T95 HydrophobicContact CG2-CG2 3.41Å; I67-T95 VanDerWaalsContact CG2-CG2 3.41Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.46Å; F91-T95 PolarHBondContact O-N 2.98Å; F91-T95 PolarHBondContact O-OG1 3.17Å; G92-T95 PolarHBondContact O-N 3.1Å; T95-F97 VanDerWaalsContact C-N 3.27Å; T95-F97 PolarHBondContact O-N 2.94Å; T95-A98 PolarHBondContact O-N 3.08Å; T95-V99 WeakPolarHBondContact O-CG2 3.4Å; T95-V99 PolarHBondContact O-N 2.95Å
96S98.6Very high97.7Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-61.8-38177.671.40000111.8F21 L86 G92 A93 V99 A100 L116F21-S96 VanDerWaalsContact CD2-CB 3.42Å; L86-S96 VanDerWaalsContact CD1-O 3.3Å; L86-S96 WeakPolarHBondContact CD1-O 3.26Å; G92-S96 VanDerWaalsContact O-CB 3.23Å; G92-S96 WeakPolarHBondContact O-CB 3.32Å; G92-S96 PolarHBondContact O-N 2.94Å; G92-S96 PolarHBondContact O-OG 2.82Å; A93-S96 PolarHBondContact O-N 2.96Å; A93-S96 PolarHBondContact O-OG 2.85Å; S96-V99 PolarHBondContact O-N 2.86Å; S96-A100 WeakPolarHBondContact O-CB 3.49Å; S96-A100 PolarHBondContact O-N 2.82Å; S96-L116 WeakPolarHBondContact OG-CD2 3.29Å
97F98.1Very high97.6Very high2 Ų221.7 Ų21.71%0.00911%0.11CC..Hα-helixtrans-65.8-47.1174.3173.7-99.5000112.2A93 L94 T95 V99 A100 E101 M114 P122 L189 W209 V212A93-F97 PolarHBondContact O-N 2.95Å; L94-F97 PolarHBondContact O-N 2.8Å; T95-F97 VanDerWaalsContact C-N 3.27Å; T95-F97 PolarHBondContact O-N 2.94Å; F97-V99 PolarHBondContact O-N 3.1Å; F97-A100 PolarHBondContact O-N 2.75Å; F97-A100 VanDerWaalsContact O-N 3.12Å; F97-E101 HydrophobicContact CE1-CB 4.41Å; F97-E101 HydrophobicContact CZ-CB 4.34Å; F97-E101 WeakPolarHBondContact O-CB 3.38Å; F97-E101 PolarHBondContact O-N 2.81Å; F97-M114 HydrophobicContact CB-CE 4.12Å; F97-M114 HydrophobicContact CD2-CE 4.3Å; F97-P122 HydrophobicContact CD1-CG 3.72Å; F97-P122 HydrophobicContact CE1-CG 3.59Å; F97-P122 HydrophobicContact CZ-CG 4.41Å; F97-L189 HydrophobicContact CD2-CD1 4.25Å; F97-L189 HydrophobicContact CE2-CD1 4.15Å; F97-W209 HydrophobicContact CB-CH2 3.81Å; F97-W209 HydrophobicContact CB-CZ3 3.75Å; F97-W209 HydrophobicContact CD1-CZ3 4.32Å; F97-W209 AromaticContact CD2-CZ3 3.72Å; F97-W209 HydrophobicContact CD2-CZ3 3.72Å; F97-W209 HydrophobicContact CE2-CZ3 4.46Å; F97-W209 HydrophobicContact CG-CH2 4.1Å; F97-W209 AromaticContact CG-CZ3 3.63Å; F97-W209 HydrophobicContact CG-CZ3 3.63Å; F97-V212 HydrophobicContact CD2-CB 4.44Å; F97-V212 HydrophobicContact CD2-CG2 4.09Å; F97-V212 HydrophobicContact CE2-CB 3.6Å; F97-V212 HydrophobicContact CE2-CG1 3.87Å; F97-V212 HydrophobicContact CE2-CG2 3.71Å; F97-V212 HydrophobicContact CZ-CB 4.14Å; F97-V212 HydrophobicContact CZ-CG1 4.04Å
98A97.8Very high97.4Very high5 Ų527.9 Ų27.94%0.04114%0.143CC..Hα-helixtrans-59-38.8177.700000111.7M64 V68 L94 T95 D102 Y179M64-A98 HydrophobicContact CG-CB 3.6Å; M64-A98 HydrophobicContact SD-CB 4.01Å; V68-A98 HydrophobicContact CG2-CB 3.7Å; L94-A98 WeakPolarHBondContact O-CB 3.17Å; L94-A98 PolarHBondContact O-N 3.48Å; T95-A98 PolarHBondContact O-N 3.08Å; A98-D102 WeakPolarHBondContact O-CB 3.38Å; A98-D102 PolarHBondContact O-N 2.78Å; A98-Y179 HydrophobicContact CB-CE2 4.47Å
99V98.4Very high97.3Very high3 Ų329.6 Ų29.62%0.01815%0.152CC..Hα-helixtrans-66-45.3173.81700000111.7F21 V68 V71 I72 T95 S96 F97 E101 D102 L103F21-V99 HydrophobicContact CE1-CB 4.44Å; F21-V99 HydrophobicContact CE1-CG2 3.88Å; F21-V99 HydrophobicContact CZ-CB 4.19Å; F21-V99 HydrophobicContact CZ-CG1 4.21Å; F21-V99 HydrophobicContact CZ-CG2 4.09Å; V68-V99 HydrophobicContact CG2-CG2 4.1Å; V71-V99 HydrophobicContact CB-CG2 4.27Å; V71-V99 HydrophobicContact CG1-CG1 4.29Å; V71-V99 HydrophobicContact CG1-CG2 4.11Å; I72-V99 HydrophobicContact CG1-CG1 4.12Å; T95-V99 WeakPolarHBondContact O-CG2 3.4Å; T95-V99 PolarHBondContact O-N 2.95Å; S96-V99 PolarHBondContact O-N 2.86Å; F97-V99 PolarHBondContact O-N 3.1Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 2.78Å; V99-D102 PolarHBondContact O-N 3.21Å; V99-L103 HydrophobicContact CG1-CD1 3.76Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 2.65Å
100A98Very high97.3Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-61.8-43.2177.500000112.2L86 S96 F97 K104 P111 M114 L189L86-A100 HydrophobicContact CD1-CB 3.79Å; S96-A100 WeakPolarHBondContact O-CB 3.49Å; S96-A100 PolarHBondContact O-N 2.82Å; F97-A100 PolarHBondContact O-N 2.75Å; F97-A100 VanDerWaalsContact O-N 3.12Å; A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 PolarHBondContact O-N 3.36Å; A100-P111 HydrophobicContact CB-CG 4.31Å; A100-M114 HydrophobicContact CB-CE 4.34Å; A100-M114 HydrophobicContact CB-SD 3.65Å; A100-L189 HydrophobicContact CB-CD1 4.12Å; A100-L189 HydrophobicContact CB-CD2 4.25Å
101E96.4Very high97.3Very high25 Ų2529.7 Ų29.712%0.11715%0.149CC..Hα-helixtrans-60.3-47.3177.5172.5170.6-124.100111.5F97 V99 K104 K105 V188F97-E101 HydrophobicContact CE1-CB 4.41Å; F97-E101 HydrophobicContact CZ-CB 4.34Å; F97-E101 WeakPolarHBondContact O-CB 3.38Å; F97-E101 PolarHBondContact O-N 2.81Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 2.78Å; E101-K104 PolarHBondContact O-N 2.74Å; E101-K105 HydrophobicContact CG-CD 3.92Å; E101-K105 WeakPolarHBondContact O-CB 3.33Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 3.05Å; E101-K105 WeakPolarHBondContact OE1-CE 3.11Å; E101-K105 IonicContact OE1-NZ 3.28Å; E101-K105 PolarHBondContact OE1-NZ 2.86Å; E101-K105 IonicContact OE2-NZ 3.05Å; E101-V188 HydrophobicContact CB-CG1 4.47Å; E101-V188 HydrophobicContact CG-CG1 4.12Å
102D96.8Very high97.4Very high33 Ų3329.8 Ų29.818%0.17615%0.15CC..Hα-helixtrans-68-44.5179-168.8-84.7000111.8V68 I72 A98 V99 K104 K105 V106V68-D102 HydrophobicContact CG1-CB 3.48Å; V68-D102 VanDerWaalsContact CG1-CB 3.48Å; I72-D102 HydrophobicContact CD1-CB 3.74Å; I72-D102 WeakPolarHBondContact CD1-OD1 2.94Å; A98-D102 WeakPolarHBondContact O-CB 3.38Å; A98-D102 PolarHBondContact O-N 2.78Å; V99-D102 PolarHBondContact O-N 3.21Å; D102-K104 PolarHBondContact O-N 3.43Å; D102-K105 PolarHBondContact O-N 2.88Å; D102-V106 WeakPolarHBondContact O-CB 3.5Å; D102-V106 WeakPolarHBondContact O-CG2 3.3Å; D102-V106 PolarHBondContact O-N 3.27Å
103L97.8Very high97.4Very high0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-54-42.6173-76.2170.7000111.9I72 L76 L79 F84 V99 H107 N108 L109I72-L103 HydrophobicContact CD1-CD2 4.05Å; I72-L103 HydrophobicContact CD1-CG 3.89Å; I72-L103 HydrophobicContact CG1-CD2 3.99Å; I72-L103 HydrophobicContact CG1-CG 4.08Å; I72-L103 HydrophobicContact CG2-CD2 4.19Å; L76-L103 HydrophobicContact CD1-CD2 4.09Å; L79-L103 HydrophobicContact CD1-CD1 3.75Å; L79-L103 HydrophobicContact CD1-CD2 4.07Å; F84-L103 HydrophobicContact CE2-CD1 4.05Å; F84-L103 HydrophobicContact CZ-CD1 3.9Å; V99-L103 HydrophobicContact CG1-CD1 3.76Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 2.65Å; L103-H107 CarbonylContact O-C 3.12Å; L103-H107 VanDerWaalsContact O-CA 3.31Å; L103-H107 WeakPolarHBondContact O-CA 3.16Å; L103-H107 VanDerWaalsContact O-CB 3.32Å; L103-H107 WeakPolarHBondContact O-CB 3.44Å; L103-H107 PolarHBondContact O-N 3.36Å; L103-N108 PolarHBondContact O-N 3.07Å; L103-L109 CarbonylContact C-O 3.39Å; L103-L109 HydrophobicContact CB-CB 4.4Å; L103-L109 WeakPolarHBondContact CB-O 3.23Å; L103-L109 PolarHBondContact O-N 3.26Å; L103-L109 VanDerWaalsContact O-N 3.08Å
104K96.3Very high97.4Very high55 Ų5530.5 Ų30.524%0.23915%0.153CC..Hα-helixtrans-67.9-50.5179-176.264.5169.8-159.20111.5A100 E101 D102 N108 L109 E110 L189A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 PolarHBondContact O-N 3.36Å; E101-K104 PolarHBondContact O-N 2.74Å; D102-K104 PolarHBondContact O-N 3.43Å; K104-N108 VanDerWaalsContact O-CA 3.29Å; K104-N108 WeakPolarHBondContact O-CA 3.46Å; K104-N108 PolarHBondContact O-N 2.97Å; K104-L109 VanDerWaalsContact CA-O 3.23Å; K104-L109 WeakPolarHBondContact CA-O 3.49Å; K104-L109 PolarHBondContact N-O 3.08Å; K104-E110 HydrophobicContact CD-CB 4.26Å; K104-E110 IonicContact NZ-OE2 3.39Å; K104-E110 PolarHBondContact NZ-OE2 3.17Å; K104-L189 HydrophobicContact CB-CD2 4.12Å; K104-L189 HydrophobicContact CG-CD2 4.41Å
105K94.7Very high97.4Very high135 Ų13530.1 Ų30.159%0.58715%0.151SC*.Hα-helixtrans-69.3-40.2-174.7-71.8175.9-176.2171.60113E101 D102E101-K105 HydrophobicContact CG-CD 3.92Å; E101-K105 WeakPolarHBondContact O-CB 3.33Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 3.05Å; E101-K105 WeakPolarHBondContact OE1-CE 3.11Å; E101-K105 IonicContact OE1-NZ 3.28Å; E101-K105 PolarHBondContact OE1-NZ 2.86Å; E101-K105 IonicContact OE2-NZ 3.05Å; D102-K105 PolarHBondContact O-N 2.88Å
106V96.6Very high97.4Very high91 Ų9130.1 Ų30.155%0.55215%0.151SC*.Hα-helixtrans-97.2-35.9-171-176.30000112D102D102-V106 WeakPolarHBondContact O-CB 3.5Å; D102-V106 WeakPolarHBondContact O-CG2 3.3Å; D102-V106 PolarHBondContact O-N 3.27Å
107H96.3Very high97.4Very high65 Ų6530.1 Ų30.130%0.30115%0.151SC..Hα-helixtrans-115.2-4.3-171.9-60-59.4000114.2L76 L103 L109L76-H107 HydrophobicContact CD1-CB 4.2Å; L103-H107 CarbonylContact O-C 3.12Å; L103-H107 VanDerWaalsContact O-CA 3.31Å; L103-H107 WeakPolarHBondContact O-CA 3.16Å; L103-H107 VanDerWaalsContact O-CB 3.32Å; L103-H107 WeakPolarHBondContact O-CB 3.44Å; L103-H107 PolarHBondContact O-N 3.36Å; H107-L109 HydrophobicContact CB-CB 4.38Å; H107-L109 HydrophobicContact CB-CD1 4.12Å; H107-L109 HydrophobicContact CB-CG 4.2Å; H107-L109 PolarHBondContact O-N 2.99Å
108N96Very high97.4Very high129 Ų12930 Ų3069%0.6915%0.151SC*.  trans50.834.9-171.7-16643.2000112.3L103 K104L103-N108 PolarHBondContact O-N 3.07Å; K104-N108 VanDerWaalsContact O-CA 3.29Å; K104-N108 WeakPolarHBondContact O-CA 3.46Å; K104-N108 PolarHBondContact O-N 2.97Å
109L97.1Very high97.3Very high36 Ų3630.1 Ų30.119%0.18815%0.151CC..  trans-111.2144.8175.9-71.6173.8000109.3L76 K80 L103 K104 H107L76-L109 HydrophobicContact CD1-CD1 3.58Å; K80-L109 HydrophobicContact CG-CD1 3.71Å; K80-L109 HydrophobicContact CG-CD2 4.48Å; L103-L109 CarbonylContact C-O 3.39Å; L103-L109 HydrophobicContact CB-CB 4.4Å; L103-L109 WeakPolarHBondContact CB-O 3.23Å; L103-L109 PolarHBondContact O-N 3.26Å; L103-L109 VanDerWaalsContact O-N 3.08Å; K104-L109 VanDerWaalsContact CA-O 3.23Å; K104-L109 WeakPolarHBondContact CA-O 3.49Å; K104-L109 PolarHBondContact N-O 3.08Å; H107-L109 HydrophobicContact CB-CB 4.38Å; H107-L109 HydrophobicContact CB-CD1 4.12Å; H107-L109 HydrophobicContact CB-CG 4.2Å; H107-L109 PolarHBondContact O-N 2.99Å
110E96.7Very high97.2Very high30 Ų3030.4 Ų30.414%0.1415%0.153CC..  trans-144.9143.4-177.2-163.8175.8175.900110.1F84 K104 L189 S190 C191F84-E110 VanDerWaalsContact CZ-C 3.47Å; K104-E110 HydrophobicContact CD-CB 4.26Å; K104-E110 IonicContact NZ-OE2 3.39Å; K104-E110 PolarHBondContact NZ-OE2 3.17Å; E110-L189 HydrophobicContact CG-CD2 3.96Å; E110-L189 WeakPolarHBondContact OE1-CA 3.49Å; E110-L189 WeakPolarHBondContact OE1-CB 3.34Å; E110-S190 PolarHBondContact OE1-N 3.07Å; E110-S190 PolarHBondContact OE2-N 3.05Å; E110-S190 PolarHBondContact OE2-OG 3.15Å; E110-C191 HydrophobicContact CG-CB 4.24Å; E110-C191 WeakPolarHBondContact OE1-CB 3.08Å; E110-C191 PolarHBondContact OE1-N 3.21Å; E110-C191 PolarHBondContact OE1-SG 3.32Å
111P97.9Very high97Very high0 Ų030.4 Ų30.40%015%0.153CC..  trans-62.8155.3170.625.7-34.5000111.6F84 L86 A100 H113 M114 C191F84-P111 HydrophobicContact CD2-CB 3.87Å; F84-P111 HydrophobicContact CE2-CB 3.63Å; F84-P111 HydrophobicContact CE2-CG 4.26Å; F84-P111 HydrophobicContact CZ-CB 4.31Å; F84-P111 CarbonylContact O-C 3.52Å; F84-P111 WeakPolarHBondContact O-CA 3.27Å; F84-P111 WeakPolarHBondContact O-CB 3.47Å; L86-P111 HydrophobicContact CD1-CG 4.16Å; L86-P111 HydrophobicContact CG-CB 4Å; L86-P111 HydrophobicContact CG-CG 4.14Å; A100-P111 HydrophobicContact CB-CG 4.31Å; P111-H113 VanDerWaalsContact C-N 3.27Å; P111-M114 HydrophobicContact CB-CG 4.39Å; P111-M114 HydrophobicContact CG-CG 3.61Å; P111-M114 HydrophobicContact CG-SD 4.11Å; P111-C191 WeakPolarHBondContact O-CB 3.46Å
112I97.9Very high96.9Very high7 Ų729.2 Ų29.24%0.03615%0.148CC..SBendtrans-75.5-20.9171.467.2173000112.3T16 P83 F84 A85 P192 L246 A249 Y253T16-I112 HydrophobicContact CG2-CD1 3.86Å; P83-I112 HydrophobicContact CB-CD1 4.05Å; P83-I112 HydrophobicContact CB-CG2 3.76Å; F84-I112 WeakPolarHBondContact O-CG1 3.38Å; F84-I112 PolarHBondContact O-N 3.14Å; A85-I112 HydrophobicContact CB-CG1 4.3Å; I112-P192 WeakPolarHBondContact O-CD 3.46Å; I112-L246 HydrophobicContact CD1-CD2 4.18Å; I112-L246 HydrophobicContact CG1-CD2 4.4Å; I112-A249 HydrophobicContact CD1-CB 4Å; I112-Y253 HydrophobicContact CB-CD2 4.45Å; I112-Y253 HydrophobicContact CB-CE2 3.74Å; I112-Y253 HydrophobicContact CG2-CD2 3.96Å; I112-Y253 HydrophobicContact CG2-CE1 4.15Å; I112-Y253 HydrophobicContact CG2-CE2 3.34Å; I112-Y253 VanDerWaalsContact CG2-CZ 3.45Å
113H98.6Very high96.6Very high14 Ų1428.5 Ų28.57%0.06514%0.144CC..EExtended strand (participates in β ladder)trans-159.4146.8176.7-151.699.6000110.7A85 L86 P111 F115 T194 T245 L246A85-H113 VanDerWaalsContact CA-O 3.31Å; A85-H113 WeakPolarHBondContact CA-O 3.35Å; A85-H113 HydrophobicContact CB-CB 4.26Å; A85-H113 WeakPolarHBondContact CB-O 3.42Å; L86-H113 PolarHBondContact N-O 2.98Å; L86-H113 VanDerWaalsContact N-O 3.1Å; P111-H113 VanDerWaalsContact C-N 3.27Å; H113-F115 HydrophobicContact CB-CE2 4.18Å; H113-F115 HydrophobicContact CB-CZ 4.26Å; H113-F115 AromaticContact CD2-CD1 3.78Å; H113-F115 AromaticContact CD2-CE1 3.38Å; H113-F115 WeakPolarHBondContact CD2-CE1 3.35Å; H113-F115 AromaticContact CD2-CE2 3.84Å; H113-F115 AromaticContact CD2-CZ 3.42Å; H113-F115 VanDerWaalsContact CD2-CZ 3.42Å; H113-F115 WeakPolarHBondContact CD2-CZ 3.32Å; H113-F115 AromaticContact CG-CZ 3.89Å; H113-F115 AromaticContact NE2-CE1 3.64Å; H113-T194 PolarHBondContact NE2-OG1 3.46Å; H113-T245 WeakPolarHBondContact CE1-CG2 3.25Å; H113-T245 WeakPolarHBondContact ND1-CG2 3.5Å; H113-L246 HydrophobicContact CB-CD2 4.37Å
114M98.6Very high96.4Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-117.9130.6171.3-75.6-168.254.800112.2F97 A100 P111 L116 L189 P192 V193 T194F97-M114 HydrophobicContact CB-CE 4.12Å; F97-M114 HydrophobicContact CD2-CE 4.3Å; A100-M114 HydrophobicContact CB-CE 4.34Å; A100-M114 HydrophobicContact CB-SD 3.65Å; P111-M114 HydrophobicContact CB-CG 4.39Å; P111-M114 HydrophobicContact CG-CG 3.61Å; P111-M114 HydrophobicContact CG-SD 4.11Å; M114-L116 HydrophobicContact CE-CD1 4.08Å; M114-L116 HydrophobicContact CE-CD2 3.64Å; M114-L116 HydrophobicContact CE-CG 4.12Å; M114-L189 HydrophobicContact SD-CD1 3.34Å; M114-L189 WeakPolarHBondContact SD-CD1 3.34Å; M114-P192 PolarHBondContact N-O 2.74Å; M114-V193 HydrophobicContact CB-CG2 4.12Å; M114-V193 CarbonylContact O-C 3.5Å; M114-V193 WeakPolarHBondContact O-CA 3.23Å; M114-T194 PolarHBondContact O-N 2.73Å
115F98.8Very high96.1Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-113.6111176.1-59.2-75.2000109.7L18 A85 L86 F87 G88 H113 T194 F196 F241 I242 T245 L246L18-F115 HydrophobicContact CD1-CD2 4.3Å; L18-F115 HydrophobicContact CD1-CE2 4.44Å; A85-F115 HydrophobicContact CB-CE2 4.18Å; L86-F115 PolarHBondContact O-N 3.46Å; F87-F115 WeakPolarHBondContact CA-O 3.36Å; F87-F115 HydrophobicContact CB-CB 4.22Å; F87-F115 HydrophobicContact CD2-CB 3.51Å; F87-F115 HydrophobicContact CD2-CG 4.33Å; F87-F115 HydrophobicContact CE2-CB 4.27Å; F87-F115 HydrophobicContact CG-CB 4.26Å; G88-F115 PolarHBondContact N-O 3.25Å; H113-F115 HydrophobicContact CB-CE2 4.18Å; H113-F115 HydrophobicContact CB-CZ 4.26Å; H113-F115 AromaticContact CD2-CD1 3.78Å; H113-F115 AromaticContact CD2-CE1 3.38Å; H113-F115 WeakPolarHBondContact CD2-CE1 3.35Å; H113-F115 AromaticContact CD2-CE2 3.84Å; H113-F115 AromaticContact CD2-CZ 3.42Å; H113-F115 VanDerWaalsContact CD2-CZ 3.42Å; H113-F115 WeakPolarHBondContact CD2-CZ 3.32Å; H113-F115 AromaticContact CG-CZ 3.89Å; H113-F115 AromaticContact NE2-CE1 3.64Å; F115-T194 CarbonylContact C-O 3.3Å; F115-T194 WeakPolarHBondContact CA-O 3.25Å; F115-F196 HydrophobicContact CB-CE2 3.93Å; F115-F196 AromaticContact CD1-CE2 3.65Å; F115-F196 HydrophobicContact CD1-CE2 3.65Å; F115-F196 AromaticContact CD1-CZ 3.9Å; F115-F196 HydrophobicContact CD1-CZ 3.9Å; F115-F196 HydrophobicContact CG-CE2 4.19Å; F115-F241 HydrophobicContact CE1-CD1 4.27Å; F115-F241 HydrophobicContact CE1-CE1 4.07Å; F115-I242 HydrophobicContact CD1-CG1 4.03Å; F115-I242 HydrophobicContact CD2-CG1 4.31Å; F115-I242 HydrophobicContact CE1-CG1 3.93Å; F115-I242 HydrophobicContact CE2-CG1 4.21Å; F115-I242 HydrophobicContact CE2-CG2 3.99Å; F115-I242 HydrophobicContact CG-CG1 4.22Å; F115-I242 HydrophobicContact CZ-CB 4.27Å; F115-I242 HydrophobicContact CZ-CG1 4.02Å; F115-I242 HydrophobicContact CZ-CG2 4.11Å; F115-T245 HydrophobicContact CE1-CG2 3.99Å; F115-T245 HydrophobicContact CZ-CG2 3.73Å; F115-L246 HydrophobicContact CE2-CD2 4.09Å; F115-L246 HydrophobicContact CE2-CG 4.48Å; F115-L246 HydrophobicContact CZ-CD2 4.34Å
116L98.8Very high95.8Very high2 Ų229.3 Ų29.31%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-116.9117.1-172.1-61.8176.2000110A93 S96 M114 V193 T194 C195 F196 W209A93-L116 HydrophobicContact CB-CB 4.4Å; A93-L116 HydrophobicContact CB-CD2 4.01Å; A93-L116 WeakPolarHBondContact O-CD2 3.31Å; S96-L116 WeakPolarHBondContact OG-CD2 3.29Å; M114-L116 HydrophobicContact CE-CD1 4.08Å; M114-L116 HydrophobicContact CE-CD2 3.64Å; M114-L116 HydrophobicContact CE-CG 4.12Å; L116-V193 HydrophobicContact CD1-CG1 3.79Å; L116-V193 HydrophobicContact CG-CG1 4.42Å; L116-T194 PolarHBondContact N-O 3.49Å; L116-C195 CarbonylContact O-C 3.52Å; L116-C195 WeakPolarHBondContact O-CA 3.19Å; L116-F196 PolarHBondContact O-N 3.14Å; L116-W209 HydrophobicContact CD1-CD2 3.41Å; L116-W209 VanDerWaalsContact CD1-CD2 3.41Å; L116-W209 HydrophobicContact CD1-CE3 3.3Å; L116-W209 HydrophobicContact CD1-CG 4.02Å; L116-W209 HydrophobicContact CD1-CH2 3.81Å; L116-W209 HydrophobicContact CD1-CZ2 3.94Å; L116-W209 HydrophobicContact CD1-CZ3 3.51Å; L116-W209 HydrophobicContact CD2-CH2 4.32Å
117S98.6Very high95.6Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-120.3129.7-167.8172.90000111.3G88 H89 S90 A119 F196 Y228G88-S117 WeakPolarHBondContact O-CB 3.44Å; G88-S117 PolarHBondContact O-N 2.81Å; H89-S117 CarbonylContact C-O 3.52Å; H89-S117 WeakPolarHBondContact CA-O 3.41Å; H89-S117 PolarHBondContact ND1-O 2.89Å; H89-S117 PolarHBondContact ND1-OG 2.67Å; S90-S117 PolarHBondContact N-O 2.99Å; S117-A119 PolarHBondContact O-N 2.79Å; S117-F196 CarbonylContact C-O 3.58Å; S117-F196 VanDerWaalsContact CA-O 3.28Å; S117-F196 WeakPolarHBondContact CA-O 3.43Å; S117-Y228 PolarHBondContact OG-OH 3.39Å
118G96.9Very high95.3Very high0 Ų026.9 Ų26.90%014%0.139CC..SBendtrans59.842.1169.600000114.7S90 F196 H226S90-G118 WeakPolarHBondContact CA-O 2.97Å; G118-F196 PolarHBondContact N-O 3.29Å; G118-H226 PolarHBondContact O-CE1 3.13Å; G118-H226 VanDerWaalsContact O-CE1 3.28Å
119A96.8Very high95Very high7 Ų728.1 Ų28.16%0.05814%0.138CC..  trans-154142.2177.500000112A93 S117 W209A93-A119 HydrophobicContact CB-CB 3.81Å; S117-A119 PolarHBondContact O-N 2.79Å; A119-W209 PolarHBondContact O-NE1 3.16Å
120S96.2Very high94.7Very high9 Ų929 Ų296%0.06315%0.151CC..  trans-71.8152.5164.4-54.10000111.2H204 D205S120-H204 WeakPolarHBondContact OG-CA 3.43Å; S120-D205 PolarHBondContact OG-N 2.97Å
121A94.4Very high94.3Very high0 Ų031.5 Ų31.50%017%0.17CC..  trans-57.2153.2174.200000112.4H123 S124 R127 A208 W209A121-H123 VanDerWaalsContact C-N 3.25Å; A121-H123 PolarHBondContact O-N 2.9Å; A121-S124 VanDerWaalsContact O-CB 3.24Å; A121-S124 WeakPolarHBondContact O-CB 3.02Å; A121-S124 PolarHBondContact O-N 2.65Å; A121-R127 VanDerWaalsContact O-CD 3.31Å; A121-R127 WeakPolarHBondContact O-CD 3.3Å; A121-A208 HydrophobicContact CB-CB 3.59Å; A121-W209 VanDerWaalsContact CA-CE2 3.43Å; A121-W209 HydrophobicContact CB-CD2 3.68Å; A121-W209 HydrophobicContact CB-CE3 3.99Å; A121-W209 HydrophobicContact CB-CG 3.92Å
122P92.8Very high94.1Very high0 Ų035.1 Ų35.10%019%0.186CC..THydrogen-bonded Turntrans-62.4-30.5-173.823.3-34.1000114.1L94 F97 R127 Y179 C181L94-P122 HydrophobicContact CD2-CB 3.85Å; L94-P122 HydrophobicContact CD2-CG 4.31Å; F97-P122 HydrophobicContact CD1-CG 3.72Å; F97-P122 HydrophobicContact CE1-CG 3.59Å; F97-P122 HydrophobicContact CZ-CG 4.41Å; P122-R127 PolarHBondContact O-NH1 2.85Å; P122-Y179 HydrophobicContact CB-CD1 4.29Å; P122-Y179 HydrophobicContact CB-CE1 3.7Å; P122-Y179 HydrophobicContact CG-CE1 4.49Å; P122-C181 HydrophobicContact CB-CB 3.77Å; P122-C181 HydrophobicContact CG-CB 4.01Å
123H91.9Very high93.8Very high19 Ų1938.6 Ų38.69%0.08820%0.198CC..THydrogen-bonded Turntrans-89-2.1178.360.8-91.2000113.5A121 E125 E183 A208A121-H123 VanDerWaalsContact C-N 3.25Å; A121-H123 PolarHBondContact O-N 2.9Å; H123-E125 PolarHBondContact O-N 2.82Å; H123-E183 HydrophobicContact CB-CB 4.26Å; H123-A208 PolarHBondContact CE1-O 3.21Å; H123-A208 PolarHBondContact NE2-O 3.22Å; H123-A208 VanDerWaalsContact NE2-O 3.16Å
124S92.8Very high93.6Very high2 Ų238.1 Ų38.11%0.01420%0.196CC..  trans-62.9130.6-179.9173.30000111.8A121 T126 R127 L128 D205A121-S124 VanDerWaalsContact O-CB 3.24Å; A121-S124 WeakPolarHBondContact O-CB 3.02Å; A121-S124 PolarHBondContact O-N 2.65Å; S124-T126 VanDerWaalsContact C-N 3.27Å; S124-T126 PolarHBondContact O-N 3.24Å; S124-T126 PolarHBondContact OG-N 2.82Å; S124-R127 WeakPolarHBondContact O-CB 3.38Å; S124-R127 PolarHBondContact O-N 3.32Å; S124-R127 VanDerWaalsContact O-N 3.16Å; S124-L128 WeakPolarHBondContact O-CG 3.25Å; S124-L128 PolarHBondContact O-N 2.68Å; S124-D205 WeakPolarHBondContact CB-OD2 3.36Å; S124-D205 WeakPolarHBondContact OG-CB 3.29Å; S124-D205 PolarHBondContact OG-OD2 2.97Å
125E89.9Confident93.3Very high124 Ų12443.7 Ų43.758%0.57922%0.222SC*.Hα-helixtrans-59.7-38.7174.8-68.9-161168.600112.6H123 R127 L128 K129H123-E125 PolarHBondContact O-N 2.82Å; E125-R127 PolarHBondContact O-N 3.06Å; E125-L128 PolarHBondContact O-N 2.91Å; E125-L128 VanDerWaalsContact O-N 3.16Å; E125-K129 WeakPolarHBondContact O-CB 3.09Å; E125-K129 WeakPolarHBondContact O-CG 3.23Å; E125-K129 PolarHBondContact O-N 3Å; E125-K129 IonicContact OE2-NZ 2.99Å; E125-K129 PolarHBondContact OE2-NZ 2.65Å
126T88.9Confident93.1Very high80 Ų8045.4 Ų45.449%0.49123%0.232SC..Hα-helixtrans-55.4-43177.6-60.30000110.6S124 A130S124-T126 VanDerWaalsContact C-N 3.27Å; S124-T126 PolarHBondContact O-N 3.24Å; S124-T126 PolarHBondContact OG-N 2.82Å; T126-A130 PolarHBondContact O-N 2.98Å
127R91.9Very high92.8Very high35 Ų3548.3 Ų48.313%0.13225%0.252CS..Hα-helixtrans-68.9-47.9176.1-178.2-171172-80.8-7.2111.8L94 A121 P122 S124 E125 K129 A130 V176 Y179L94-R127 VanDerWaalsContact CD1-NE 3.31Å; A121-R127 VanDerWaalsContact O-CD 3.31Å; A121-R127 WeakPolarHBondContact O-CD 3.3Å; P122-R127 PolarHBondContact O-NH1 2.85Å; S124-R127 WeakPolarHBondContact O-CB 3.38Å; S124-R127 PolarHBondContact O-N 3.32Å; S124-R127 VanDerWaalsContact O-N 3.16Å; E125-R127 PolarHBondContact O-N 3.06Å; R127-K129 PolarHBondContact O-N 3.02Å; R127-A130 VanDerWaalsContact O-CB 3.25Å; R127-A130 WeakPolarHBondContact O-CB 3.33Å; R127-A130 PolarHBondContact O-N 2.85Å; R127-A130 VanDerWaalsContact O-N 3.08Å; R127-V176 PolarHBondContact NH2-O 3.42Å; R127-Y179 PolarHBondContact NH1-O 3.11Å; R127-Y179 PolarHBondContact NH2-O 3.15Å
128L90.2Very high92.4Very high70 Ų7052.8 Ų52.837%0.36628%0.276SS..Hα-helixtrans-65-27-175.6-68.1172.7000112.8S124 E125S124-L128 WeakPolarHBondContact O-CG 3.25Å; S124-L128 PolarHBondContact O-N 2.68Å; E125-L128 PolarHBondContact O-N 2.91Å; E125-L128 VanDerWaalsContact O-N 3.16Å
129K90.3Very high92.1Very high155 Ų15554.4 Ų54.467%0.67429%0.293SS*.THydrogen-bonded Turntrans-90.6-5.8176.1-66.9169.6179.9166.50113.3E125 R127E125-K129 WeakPolarHBondContact O-CB 3.09Å; E125-K129 WeakPolarHBondContact O-CG 3.23Å; E125-K129 PolarHBondContact O-N 3Å; E125-K129 IonicContact OE2-NZ 2.99Å; E125-K129 PolarHBondContact OE2-NZ 2.65Å; R127-K129 PolarHBondContact O-N 3.02Å
130A89.3Confident91.9Very high56 Ų5658.3 Ų58.346%0.46331%0.31SS..SBendtrans-64.8141-178.600000111.3T126 R127T126-A130 PolarHBondContact O-N 2.98Å; R127-A130 VanDerWaalsContact O-CB 3.25Å; R127-A130 WeakPolarHBondContact O-CB 3.33Å; R127-A130 PolarHBondContact O-N 2.85Å; R127-A130 VanDerWaalsContact O-N 3.08Å
131P90.1Very high91.7Very high81 Ų8157.9 Ų57.953%0.52631%0.307SS..PPolyproline II helixtrans-66.5136.9179.227.5-34.7000110.9R133P131-R133 PolarHBondContact O-N 2.86Å
132K92.3Very high91.5Very high76 Ų7660 Ų6033%0.3332%0.318SS..PPolyproline II helixtrans-66.1125.3173.7-67.4-173170.8-173.60110.6E135 E177 N178K132-E135 WeakPolarHBondContact CD-OE1 3.39Å; K132-E135 IonicContact NZ-OE1 2.68Å; K132-E135 PolarHBondContact NZ-OE1 3.49Å; K132-E177 WeakPolarHBondContact CB-OE2 3.39Å; K132-E177 HydrophobicContact CG-CB 4.33Å; K132-E177 HydrophobicContact CG-CG 4.47Å; K132-N178 PolarHBondContact NZ-OD1 2.77Å
133R92.8Very high91.3Very high81 Ų8167.8 Ų67.831%0.30635%0.347SS..SBendtrans-98.7-28.9178-57-58.9-176.7179.43111.3P131 E135 L136 F141 W144 L173 E177P131-R133 PolarHBondContact O-N 2.86Å; R133-E135 PolarHBondContact O-N 2.77Å; R133-E135 VanDerWaalsContact O-N 3.12Å; R133-L136 HydrophobicContact CB-CD1 4.3Å; R133-L136 WeakPolarHBondContact O-CB 3.37Å; R133-L136 WeakPolarHBondContact O-CG 3.1Å; R133-L136 PolarHBondContact O-N 2.87Å; R133-L136 VanDerWaalsContact O-N 3.1Å; R133-F141 HydrophobicContact CB-CE2 4.31Å; R133-F141 VanDerWaalsContact O-CD2 3.26Å; R133-F141 WeakPolarHBondContact O-CD2 2.93Å; R133-W144 HydrophobicContact CB-CD2 4.37Å; R133-W144 HydrophobicContact CB-CE3 4.29Å; R133-W144 HydrophobicContact CB-CH2 4.28Å; R133-W144 HydrophobicContact CB-CZ2 4.35Å; R133-W144 HydrophobicContact CB-CZ3 4.26Å; R133-W144 HydrophobicContact CG-CD2 4.06Å; R133-W144 HydrophobicContact CG-CE3 4.47Å; R133-W144 HydrophobicContact CG-CH2 4.27Å; R133-W144 HydrophobicContact CG-CZ2 3.84Å; R133-L173 HydrophobicContact CB-CD1 4.32Å; R133-E177 WeakPolarHBondContact CA-OE1 3.32Å; R133-E177 PolarHBondContact N-OE1 3.02Å
134S93.1Very high91.2Very high3 Ų369.3 Ų69.32%0.02135%0.352CS..THydrogen-bonded Turntrans-61.2-21.7179.871.80000114.3K170 E177S134-K170 WeakPolarHBondContact CB-O 3.49Å; S134-E177 WeakPolarHBondContact CB-OE2 3.5Å; S134-E177 PolarHBondContact N-OE1 3.13Å; S134-E177 PolarHBondContact N-OE2 2.99Å; S134-E177 PolarHBondContact OG-OE2 3.44Å
135E93Very high90.9Very high117 Ų11769.7 Ų69.755%0.54735%0.354SS..THydrogen-bonded Turntrans-93.5-5.9-179.2-64.6173.2-170.300113.3K132 R133K132-E135 WeakPolarHBondContact CD-OE1 3.39Å; K132-E135 IonicContact NZ-OE1 2.68Å; K132-E135 PolarHBondContact NZ-OE1 3.49Å; R133-E135 PolarHBondContact O-N 2.77Å; R133-E135 VanDerWaalsContact O-N 3.12Å
136L94.3Very high90.7Very high37 Ų3766.8 Ų66.819%0.19435%0.352CS..SBendtrans-64.7149.5176.7-67.3175.4000111.8R133 E140 F141 W144 K170R133-L136 HydrophobicContact CB-CD1 4.3Å; R133-L136 WeakPolarHBondContact O-CB 3.37Å; R133-L136 WeakPolarHBondContact O-CG 3.1Å; R133-L136 PolarHBondContact O-N 2.87Å; R133-L136 VanDerWaalsContact O-N 3.1Å; L136-E140 HydrophobicContact CB-CB 4.1Å; L136-E140 HydrophobicContact CD1-CB 4.48Å; L136-E140 HydrophobicContact CD2-CB 4.25Å; L136-F141 HydrophobicContact CB-CB 4.2Å; L136-F141 HydrophobicContact CB-CD2 4.41Å; L136-W144 HydrophobicContact CD1-CB 4.48Å; L136-K170 PolarHBondContact O-NZ 3.26Å
137S93.3Very high90.4Very high62 Ų6267.5 Ų67.543%0.43436%0.359SS..  trans-59.1154166.668.40000110.5G139 E140 F141S137-G139 PolarHBondContact O-N 3.24Å; S137-E140 WeakPolarHBondContact CB-OE2 3.3Å; S137-E140 PolarHBondContact N-OE2 2.93Å; S137-E140 VanDerWaalsContact N-OE2 3.16Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 VanDerWaalsContact O-N 3.15Å; S137-E140 VanDerWaalsContact OG-CD 3.23Å; S137-E140 VanDerWaalsContact OG-CG 3.28Å; S137-E140 WeakPolarHBondContact OG-CG 3.31Å; S137-E140 PolarHBondContact OG-N 2.94Å; S137-E140 PolarHBondContact OG-OE2 2.83Å; S137-F141 VanDerWaalsContact O-CB 3.28Å; S137-F141 WeakPolarHBondContact O-CB 3.37Å; S137-F141 PolarHBondContact O-N 3.07Å
138D90.3Very high89.7Confident94 Ų9467.1 Ų67.150%0.50336%0.361SS..Hα-helixtrans-56.4-39-178.1-70.9-1.7000112.3F141 L142 L166 K170D138-F141 PolarHBondContact O-N 3.47Å; D138-L142 WeakPolarHBondContact O-CB 3.28Å; D138-L142 VanDerWaalsContact O-CG 3.24Å; D138-L142 WeakPolarHBondContact O-CG 3.15Å; D138-L142 PolarHBondContact O-N 3.21Å; D138-L166 HydrophobicContact CB-CD2 4.03Å; D138-K170 IonicContact OD1-NZ 3.65Å; D138-K170 PolarHBondContact OD1-NZ 3.49Å
139G90.1Very high89Confident35 Ų3564.9 Ų64.936%0.36136%0.355SS..Hα-helixtrans-66.3-41.3177.800000113.7S137 R143S137-G139 PolarHBondContact O-N 3.24Å; G139-R143 WeakPolarHBondContact O-CG 3.37Å; G139-R143 PolarHBondContact O-N 2.75Å; G139-R143 PolarHBondContact O-NH1 3.48Å
140E92.4Very high88.2Confident88 Ų8858.7 Ų58.741%0.41134%0.335SS..Hα-helixtrans-67.9-40.1174.2-70.9165.3140.700111.6L136 S137 R143 W144L136-E140 HydrophobicContact CB-CB 4.1Å; L136-E140 HydrophobicContact CD1-CB 4.48Å; L136-E140 HydrophobicContact CD2-CB 4.25Å; S137-E140 WeakPolarHBondContact CB-OE2 3.3Å; S137-E140 PolarHBondContact N-OE2 2.93Å; S137-E140 VanDerWaalsContact N-OE2 3.16Å; S137-E140 PolarHBondContact O-N 3.4Å; S137-E140 VanDerWaalsContact O-N 3.15Å; S137-E140 VanDerWaalsContact OG-CD 3.23Å; S137-E140 VanDerWaalsContact OG-CG 3.28Å; S137-E140 WeakPolarHBondContact OG-CG 3.31Å; S137-E140 PolarHBondContact OG-N 2.94Å; S137-E140 PolarHBondContact OG-OE2 2.83Å; E140-R143 PolarHBondContact O-N 3.36Å; E140-W144 PolarHBondContact O-N 2.84Å
141F91.7Very high87.7Confident0 Ų057.5 Ų57.50%032%0.322CS..Hα-helixtrans-61.6-45.7178.4-168.6-81.4000111.7R133 L136 S137 D138 R143 W144 L145 L166 L169 K170 L173R133-F141 HydrophobicContact CB-CE2 4.31Å; R133-F141 VanDerWaalsContact O-CD2 3.26Å; R133-F141 WeakPolarHBondContact O-CD2 2.93Å; L136-F141 HydrophobicContact CB-CB 4.2Å; L136-F141 HydrophobicContact CB-CD2 4.41Å; S137-F141 VanDerWaalsContact O-CB 3.28Å; S137-F141 WeakPolarHBondContact O-CB 3.37Å; S137-F141 PolarHBondContact O-N 3.07Å; D138-F141 PolarHBondContact O-N 3.47Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.39Å; F141-W144 HydrophobicContact CD2-CE3 4.28Å; F141-W144 HydrophobicContact CE1-CE3 4.23Å; F141-W144 HydrophobicContact CE1-CZ3 4.07Å; F141-W144 AromaticContact CE2-CE3 3.98Å; F141-W144 HydrophobicContact CE2-CE3 3.98Å; F141-W144 AromaticContact CE2-CZ3 3.77Å; F141-W144 HydrophobicContact CE2-CZ3 3.77Å; F141-W144 AromaticContact CZ-CE3 3.95Å; F141-W144 HydrophobicContact CZ-CE3 3.95Å; F141-W144 AromaticContact CZ-CZ3 3.51Å; F141-W144 HydrophobicContact CZ-CZ3 3.51Å; F141-W144 PolarHBondContact O-N 2.58Å; F141-L145 HydrophobicContact CE1-CB 4.46Å; F141-L145 HydrophobicContact CE1-CD2 4.34Å; F141-L145 WeakPolarHBondContact O-CB 3.38Å; F141-L145 PolarHBondContact O-N 3.49Å; F141-L166 HydrophobicContact CD1-CD1 3.19Å; F141-L166 HydrophobicContact CE1-CD1 3.31Å; F141-L166 HydrophobicContact CG-CD1 4.01Å; F141-L166 HydrophobicContact CZ-CD1 4.2Å; F141-L169 HydrophobicContact CE1-CD2 3.54Å; F141-L169 HydrophobicContact CE1-CG 4.05Å; F141-L169 HydrophobicContact CZ-CD2 3.75Å; F141-L169 HydrophobicContact CZ-CG 3.78Å; F141-K170 HydrophobicContact CD2-CG 4.15Å; F141-K170 HydrophobicContact CE2-CG 3.89Å; F141-K170 HydrophobicContact CZ-CG 4.13Å; F141-L173 HydrophobicContact CE2-CD1 3.54Å; F141-L173 HydrophobicContact CZ-CD1 3.53Å
142L89.9Confident87.2Confident45 Ų4556.2 Ų56.224%0.23631%0.314CS..Hα-helixtrans-63.8-37.8178.2-72.1170.5000112.5D138 L145 A146 L156 V162D138-L142 WeakPolarHBondContact O-CB 3.28Å; D138-L142 VanDerWaalsContact O-CG 3.24Å; D138-L142 WeakPolarHBondContact O-CG 3.15Å; D138-L142 PolarHBondContact O-N 3.21Å; L142-L145 PolarHBondContact O-N 2.98Å; L142-A146 WeakPolarHBondContact O-CB 3.26Å; L142-A146 PolarHBondContact O-N 3.42Å; L142-L156 HydrophobicContact CD2-CD2 4.25Å; L142-V162 HydrophobicContact CD1-CG1 4.16Å; L142-V162 HydrophobicContact CD2-CG1 3.86Å; L142-V162 HydrophobicContact CD2-CG2 3.91Å; L142-V162 HydrophobicContact CG-CG1 4.49Å
143R89.4Confident86.8Confident163 Ų16357 Ų5762%0.61533%0.327SS*.Hα-helixtrans-63.7-42.9173.7-73.5-171.5-65.8-88.66.7111.8G139 E140 F141 A146 S147G139-R143 WeakPolarHBondContact O-CG 3.37Å; G139-R143 PolarHBondContact O-N 2.75Å; G139-R143 PolarHBondContact O-NH1 3.48Å; E140-R143 PolarHBondContact O-N 3.36Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.39Å; R143-A146 PolarHBondContact O-N 2.9Å; R143-S147 PolarHBondContact O-N 2.99Å
144W89.3Confident86.3Confident52 Ų5259.5 Ų59.520%0.19734%0.342CS..Hα-helixtrans-63.1-46.8174.4168.672.3000111.4R133 L136 E140 F141 A146 S147 V148 L173R133-W144 HydrophobicContact CB-CD2 4.37Å; R133-W144 HydrophobicContact CB-CE3 4.29Å; R133-W144 HydrophobicContact CB-CH2 4.28Å; R133-W144 HydrophobicContact CB-CZ2 4.35Å; R133-W144 HydrophobicContact CB-CZ3 4.26Å; R133-W144 HydrophobicContact CG-CD2 4.06Å; R133-W144 HydrophobicContact CG-CE3 4.47Å; R133-W144 HydrophobicContact CG-CH2 4.27Å; R133-W144 HydrophobicContact CG-CZ2 3.84Å; L136-W144 HydrophobicContact CD1-CB 4.48Å; E140-W144 PolarHBondContact O-N 2.84Å; F141-W144 HydrophobicContact CD2-CE3 4.28Å; F141-W144 HydrophobicContact CE1-CE3 4.23Å; F141-W144 HydrophobicContact CE1-CZ3 4.07Å; F141-W144 AromaticContact CE2-CE3 3.98Å; F141-W144 HydrophobicContact CE2-CE3 3.98Å; F141-W144 AromaticContact CE2-CZ3 3.77Å; F141-W144 HydrophobicContact CE2-CZ3 3.77Å; F141-W144 AromaticContact CZ-CE3 3.95Å; F141-W144 HydrophobicContact CZ-CE3 3.95Å; F141-W144 AromaticContact CZ-CZ3 3.51Å; F141-W144 HydrophobicContact CZ-CZ3 3.51Å; F141-W144 PolarHBondContact O-N 2.58Å; W144-A146 VanDerWaalsContact C-N 3.29Å; W144-A146 PolarHBondContact O-N 3.2Å; W144-S147 WeakPolarHBondContact O-CA 3.46Å; W144-S147 WeakPolarHBondContact O-CB 3.43Å; W144-S147 PolarHBondContact O-N 3.23Å; W144-S147 PolarHBondContact O-OG 2.98Å; W144-V148 HydrophobicContact CD2-CG2 4.29Å; W144-V148 HydrophobicContact CZ2-CG2 3.83Å; W144-V148 PolarHBondContact O-N 3.27Å; W144-V148 VanDerWaalsContact O-N 3.15Å; W144-L173 HydrophobicContact CH2-CD1 3.91Å; W144-L173 HydrophobicContact CZ3-CD1 3.88Å
145L87.1Confident85.9Confident9 Ų962.9 Ų62.95%0.04736%0.359CS..Hα-helixtrans-59.6-39.4179.3-173.560.1000112.2F141 L142 S147 V148 G149 L156 F165 L169F141-L145 HydrophobicContact CE1-CB 4.46Å; F141-L145 HydrophobicContact CE1-CD2 4.34Å; F141-L145 WeakPolarHBondContact O-CB 3.38Å; F141-L145 PolarHBondContact O-N 3.49Å; L142-L145 PolarHBondContact O-N 2.98Å; L145-S147 PolarHBondContact O-N 3.27Å; L145-V148 PolarHBondContact O-N 3.49Å; L145-G149 PolarHBondContact O-N 3.03Å; L145-G149 VanDerWaalsContact O-N 3.17Å; L145-L156 HydrophobicContact CD2-CD2 3.51Å; L145-L156 HydrophobicContact CG-CD2 4.02Å; L145-F165 HydrophobicContact CD2-CE2 3.65Å; L145-F165 HydrophobicContact CD2-CZ 3.87Å; L145-L169 HydrophobicContact CD1-CD2 3.99Å; L145-L169 HydrophobicContact CD2-CD2 3.89Å
146A85.2Confident85.5Confident64 Ų6458.8 Ų58.853%0.52934%0.341SS..Hα-helixtrans-61.6-31.8174.100000112.9L142 R143 W144 L156L142-A146 WeakPolarHBondContact O-CB 3.26Å; L142-A146 PolarHBondContact O-N 3.42Å; R143-A146 PolarHBondContact O-N 2.9Å; W144-A146 VanDerWaalsContact C-N 3.29Å; W144-A146 PolarHBondContact O-N 3.2Å; A146-L156 HydrophobicContact CB-CD1 3.89Å
147S81.9Confident85.2Confident94 Ų9460.9 Ų60.966%0.65736%0.364SS*.Hα-helixtrans-78-29.8177.670.90000114.3R143 W144 L145R143-S147 PolarHBondContact O-N 2.99Å; W144-S147 WeakPolarHBondContact O-CA 3.46Å; W144-S147 WeakPolarHBondContact O-CB 3.43Å; W144-S147 PolarHBondContact O-N 3.23Å; W144-S147 PolarHBondContact O-OG 2.98Å; L145-S147 PolarHBondContact O-N 3.27Å
148V78Confident85Confident28 Ų2860.9 Ų60.917%0.1736%0.359CS..Hα-helixtrans-81-27.4179.31770000111.6W144 L145 H226 F227W144-V148 HydrophobicContact CD2-CG2 4.29Å; W144-V148 HydrophobicContact CZ2-CG2 3.83Å; W144-V148 PolarHBondContact O-N 3.27Å; W144-V148 VanDerWaalsContact O-N 3.15Å; L145-V148 PolarHBondContact O-N 3.49Å; V148-H226 HydrophobicContact CG1-CB 3.98Å; V148-F227 HydrophobicContact CG1-CE2 4.41Å
149G75.1Confident84.9Confident22 Ų2260.5 Ų60.523%0.22736%0.361CS..  trans81.6-161.2-178.300000113L145 T151 F227L145-G149 PolarHBondContact O-N 3.03Å; L145-G149 VanDerWaalsContact O-N 3.17Å; G149-T151 PolarHBondContact O-N 2.9Å; G149-F227 WeakPolarHBondContact O-CE2 3.34Å
150G73.8Confident84.9Confident25 Ų2564.4 Ų64.426%0.25837%0.374SS..SBendtrans80.4-27.6-178.500000116F227 K230G150-F227 VanDerWaalsContact CA-CG 3.4Å; G150-K230 PolarHBondContact O-NZ 3.21Å
151T78.8Confident84.5Confident32 Ų3262.2 Ų62.220%0.19637%0.367CS..SBendtrans-102.7121.2171-50.40000109.4G149 L155 L156 F165G149-T151 PolarHBondContact O-N 2.9Å; T151-L155 HydrophobicContact CG2-CB 3.99Å; T151-L156 HydrophobicContact CG2-CD2 3.51Å; T151-L156 HydrophobicContact CG2-CG 3.78Å; T151-F165 HydrophobicContact CG2-CZ 4.27Å
152P80.3Confident84.4Confident54 Ų5462.9 Ų62.935%0.35137%0.371SS..  trans-55.1137.5176.1-24.331.8000111.8E154 L155 L156P152-E154 WeakPolarHBondContact CB-OE2 3.34Å; P152-E154 PolarHBondContact O-N 3.29Å; P152-E154 VanDerWaalsContact O-N 3.11Å; P152-L155 HydrophobicContact CB-CG 4.19Å; P152-L155 HydrophobicContact CG-CD1 4.13Å; P152-L155 HydrophobicContact CG-CG 4.25Å; P152-L155 WeakPolarHBondContact O-CB 3.42Å; P152-L155 PolarHBondContact O-N 2.84Å; P152-L156 PolarHBondContact O-N 3.2Å
153P82.8Confident84.2Confident93 Ų9369.8 Ų69.860%0.60439%0.394SS*.Hα-helixtrans-53.6-33.1179.7-27.335.5000113.5L155 L156 A157P153-L155 VanDerWaalsContact C-N 3.29Å; P153-L155 PolarHBondContact O-N 3.15Å; P153-L156 PolarHBondContact O-N 3.15Å; P153-A157 WeakPolarHBondContact O-CB 3.37Å; P153-A157 PolarHBondContact O-N 3.39Å
154E83.8Confident84Confident133 Ų13368.8 Ų68.862%0.62140%0.399SS*.Hα-helixtrans-65.3-33.2178.7-53.675.2-161.700111.8P152 N158P152-E154 WeakPolarHBondContact CB-OE2 3.34Å; P152-E154 PolarHBondContact O-N 3.29Å; P152-E154 VanDerWaalsContact O-N 3.11Å; E154-N158 PolarHBondContact O-N 3Å
155L83.6Confident83.8Confident74 Ų7468.2 Ų68.239%0.38740%0.399SS..Hα-helixtrans-75.5-36175-61.4-168.6000111.5T151 P152 P153 A157 N158 V161T151-L155 HydrophobicContact CG2-CB 3.99Å; P152-L155 HydrophobicContact CB-CG 4.19Å; P152-L155 HydrophobicContact CG-CD1 4.13Å; P152-L155 HydrophobicContact CG-CG 4.25Å; P152-L155 WeakPolarHBondContact O-CB 3.42Å; P152-L155 PolarHBondContact O-N 2.84Å; P153-L155 VanDerWaalsContact C-N 3.29Å; P153-L155 PolarHBondContact O-N 3.15Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.17Å; L155-N158 PolarHBondContact O-N 2.98Å; L155-V161 HydrophobicContact CB-CG1 4.07Å; L155-V161 HydrophobicContact CD2-CG1 4.3Å
156L85.3Confident83.9Confident30 Ų3068.1 Ų68.116%0.15740%0.398CS..Hα-helixtrans-68.3-29.6175.2-63-179.3000112.3L142 L145 A146 T151 P152 P153 N158 F165L142-L156 HydrophobicContact CD2-CD2 4.25Å; L145-L156 HydrophobicContact CD2-CD2 3.51Å; L145-L156 HydrophobicContact CG-CD2 4.02Å; A146-L156 HydrophobicContact CB-CD1 3.89Å; T151-L156 HydrophobicContact CG2-CD2 3.51Å; T151-L156 HydrophobicContact CG2-CG 3.78Å; P152-L156 PolarHBondContact O-N 3.2Å; P153-L156 PolarHBondContact O-N 3.15Å; L156-N158 VanDerWaalsContact C-N 3.29Å; L156-F165 HydrophobicContact CD2-CZ 3.99Å
157A86.6Confident84.3Confident82 Ų8267.9 Ų67.968%0.67839%0.391SS*.THydrogen-bonded Turntrans-78.1-10.717600000113.6P153 L155 P159P153-A157 WeakPolarHBondContact O-CB 3.37Å; P153-A157 PolarHBondContact O-N 3.39Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.17Å; A157-P159 WeakPolarHBondContact O-CD 3.42Å
158N90Very high84.8Confident62 Ų6263.6 Ų63.633%0.33236%0.361SS..  trans-98.4108.7-178.8-175.3-34.6000111.2E154 L155 L156 D160 V161 V162E154-N158 PolarHBondContact O-N 3Å; L155-N158 PolarHBondContact O-N 2.98Å; L156-N158 VanDerWaalsContact C-N 3.29Å; N158-D160 VanDerWaalsContact C-N 3.29Å; N158-D160 PolarHBondContact O-N 3.17Å; N158-D160 WeakPolarHBondContact OD1-CB 3.45Å; N158-D160 PolarHBondContact OD1-N 3.39Å; N158-V161 HydrophobicContact CB-CB 4.02Å; N158-V161 HydrophobicContact CB-CG2 3.93Å; N158-V161 PolarHBondContact O-N 3.02Å; N158-V161 PolarHBondContact OD1-N 2.78Å; N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.42Å
159P88.3Confident85.5Confident85 Ų8562.9 Ų62.955%0.55236%0.357SS*.Hα-helixtrans-61.9-32.9-176.9-23.634.9000114.1A157 V162 R163A157-P159 WeakPolarHBondContact O-CD 3.42Å; P159-V162 PolarHBondContact O-N 3.49Å; P159-R163 WeakPolarHBondContact O-CB 3.31Å; P159-R163 VanDerWaalsContact O-CG 3.22Å; P159-R163 WeakPolarHBondContact O-CG 3.26Å; P159-R163 PolarHBondContact O-N 3.18Å
160D88.9Confident86.5Confident117 Ų11763.3 Ų63.363%0.62635%0.352SS*.Hα-helixtrans-71.5-38.3-179.6-65.2-36.4000111N158 L164N158-D160 VanDerWaalsContact C-N 3.29Å; N158-D160 PolarHBondContact O-N 3.17Å; N158-D160 WeakPolarHBondContact OD1-CB 3.45Å; N158-D160 PolarHBondContact OD1-N 3.39Å; D160-L164 PolarHBondContact O-N 2.99Å
161V85.3Confident87.6Confident43 Ų4362.9 Ų62.926%0.26135%0.346SS..Hα-helixtrans-65.5-48.7173.21750000110L155 N158 R163 L164 F165L155-V161 HydrophobicContact CB-CG1 4.07Å; L155-V161 HydrophobicContact CD2-CG1 4.3Å; N158-V161 HydrophobicContact CB-CB 4.02Å; N158-V161 HydrophobicContact CB-CG2 3.93Å; N158-V161 PolarHBondContact O-N 3.02Å; N158-V161 PolarHBondContact OD1-N 2.78Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.42Å; V161-L164 WeakPolarHBondContact O-CB 3.38Å; V161-L164 PolarHBondContact O-N 3.3Å; V161-F165 HydrophobicContact CG1-CD1 3.8Å; V161-F165 HydrophobicContact CG1-CE1 4Å; V161-F165 WeakPolarHBondContact O-CD1 3.5Å; V161-F165 PolarHBondContact O-N 2.82Å; V161-F165 VanDerWaalsContact O-N 3.15Å
162V88.4Confident88.5Confident14 Ų1461.5 Ų61.59%0.08534%0.337CS..Hα-helixtrans-55-46.6177.31690000111.6L142 N158 P159 L164 F165 L166L142-V162 HydrophobicContact CD1-CG1 4.16Å; L142-V162 HydrophobicContact CD2-CG1 3.86Å; L142-V162 HydrophobicContact CD2-CG2 3.91Å; L142-V162 HydrophobicContact CG-CG1 4.49Å; N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.42Å; P159-V162 PolarHBondContact O-N 3.49Å; V162-L164 PolarHBondContact O-N 3.18Å; V162-F165 HydrophobicContact CB-CE1 4.33Å; V162-F165 HydrophobicContact CG2-CE1 3.99Å; V162-F165 HydrophobicContact CG2-CZ 4.34Å; V162-F165 PolarHBondContact O-N 3.35Å; V162-L166 HydrophobicContact CG1-CB 4.18Å; V162-L166 HydrophobicContact CG1-CD2 4Å; V162-L166 WeakPolarHBondContact O-CB 3.48Å; V162-L166 PolarHBondContact O-N 2.94Å
163R87.4Confident89.2Confident190 Ų19059.9 Ų59.972%0.71733%0.325SS*.Hα-helixtrans-58.5-29.3177.2-78.3171.5176.7-165.9-1113.3P159 V161 P167P159-R163 WeakPolarHBondContact O-CB 3.31Å; P159-R163 VanDerWaalsContact O-CG 3.22Å; P159-R163 WeakPolarHBondContact O-CG 3.26Å; P159-R163 PolarHBondContact O-N 3.18Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.42Å; R163-P167 WeakPolarHBondContact O-CD 3.1Å
164L84.4Confident89.9Confident141 Ų14160.8 Ų60.874%0.73832%0.317SS*.Hα-helixtrans-80.4-45.3-178.9-172.665.7000112.7D160 V161 V162D160-L164 PolarHBondContact O-N 2.99Å; V161-L164 WeakPolarHBondContact O-CB 3.38Å; V161-L164 PolarHBondContact O-N 3.3Å; V162-L164 PolarHBondContact O-N 3.18Å
165F84.3Confident90.5Very high41 Ų4154.5 Ų54.518%0.1829%0.288CS..Hα-helixtrans-96.7-26.8-172.481.8-97.8000114.2L145 T151 L156 V161 V162 A168 L169L145-F165 HydrophobicContact CD2-CE2 3.65Å; L145-F165 HydrophobicContact CD2-CZ 3.87Å; T151-F165 HydrophobicContact CG2-CZ 4.27Å; L156-F165 HydrophobicContact CD2-CZ 3.99Å; V161-F165 HydrophobicContact CG1-CD1 3.8Å; V161-F165 HydrophobicContact CG1-CE1 4Å; V161-F165 WeakPolarHBondContact O-CD1 3.5Å; V161-F165 PolarHBondContact O-N 2.82Å; V161-F165 VanDerWaalsContact O-N 3.15Å; V162-F165 HydrophobicContact CB-CE1 4.33Å; V162-F165 HydrophobicContact CG2-CE1 3.99Å; V162-F165 HydrophobicContact CG2-CZ 4.34Å; V162-F165 PolarHBondContact O-N 3.35Å; F165-A168 PolarHBondContact O-N 3.15Å; F165-L169 HydrophobicContact CD2-CB 4.49Å; F165-L169 HydrophobicContact CD2-CD2 4.28Å; F165-L169 HydrophobicContact CE2-CD2 4Å; F165-L169 PolarHBondContact O-N 3.06Å
166L90.6Very high91Very high7 Ų751.9 Ų51.94%0.03728%0.275CS..Hα-helixtrans-59.4-41.2-175.8-176.863.6000113.3D138 F141 V162 A168 L169 K170D138-L166 HydrophobicContact CB-CD2 4.03Å; F141-L166 HydrophobicContact CD1-CD1 3.19Å; F141-L166 HydrophobicContact CE1-CD1 3.31Å; F141-L166 HydrophobicContact CG-CD1 4.01Å; F141-L166 HydrophobicContact CZ-CD1 4.2Å; V162-L166 HydrophobicContact CG1-CB 4.18Å; V162-L166 HydrophobicContact CG1-CD2 4Å; V162-L166 WeakPolarHBondContact O-CB 3.48Å; V162-L166 PolarHBondContact O-N 2.94Å; L166-A168 PolarHBondContact O-N 3.27Å; L166-L169 PolarHBondContact O-N 3.4Å; L166-K170 HydrophobicContact CD1-CD 4.33Å; L166-K170 HydrophobicContact CD1-CG 4.14Å; L166-K170 HydrophobicContact CG-CD 4.3Å; L166-K170 HydrophobicContact CG-CG 4.45Å; L166-K170 WeakPolarHBondContact O-CB 3.41Å; L166-K170 PolarHBondContact O-N 2.83Å
167P92.4Very high91.5Very high59 Ų5951.8 Ų51.838%0.38327%0.274SS..Hα-helixtrans-59.9-45177.4-26.237.1000112.9F60 R163 K170 A171F60-P167 HydrophobicContact CE2-CB 3.86Å; F60-P167 HydrophobicContact CZ-CB 3.67Å; R163-P167 WeakPolarHBondContact O-CD 3.1Å; P167-K170 PolarHBondContact O-N 3.45Å; P167-A171 WeakPolarHBondContact O-CB 3.23Å; P167-A171 PolarHBondContact O-N 2.82Å
168A93.2Very high91.8Very high3 Ų351.6 Ų51.63%0.02526%0.261CS..Hα-helixtrans-63.6-44.2178.300000111.5F60 F165 L166 A171 D172F60-A168 HydrophobicContact CD1-CB 4.27Å; F60-A168 VanDerWaalsContact CE1-CA 3.48Å; F60-A168 HydrophobicContact CE1-CB 3.67Å; F60-A168 HydrophobicContact CZ-CB 4.42Å; F165-A168 PolarHBondContact O-N 3.15Å; L166-A168 PolarHBondContact O-N 3.27Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-D172 WeakPolarHBondContact O-CB 3.24Å; A168-D172 PolarHBondContact O-N 2.93Å
169L93.4Very high92Very high14 Ų1449.9 Ų49.97%0.07325%0.25CC..Hα-helixtrans-62.6-45.3178.3176.458.9000111.9A24 F141 L145 F165 L166 L173A24-L169 HydrophobicContact CB-CD1 3.59Å; A24-L169 VanDerWaalsContact O-CD1 3.24Å; A24-L169 WeakPolarHBondContact O-CD1 3.18Å; F141-L169 HydrophobicContact CE1-CD2 3.54Å; F141-L169 HydrophobicContact CE1-CG 4.05Å; F141-L169 HydrophobicContact CZ-CD2 3.75Å; F141-L169 HydrophobicContact CZ-CG 3.78Å; L145-L169 HydrophobicContact CD1-CD2 3.99Å; L145-L169 HydrophobicContact CD2-CD2 3.89Å; F165-L169 HydrophobicContact CD2-CB 4.49Å; F165-L169 HydrophobicContact CD2-CD2 4.28Å; F165-L169 HydrophobicContact CE2-CD2 4Å; F165-L169 PolarHBondContact O-N 3.06Å; L166-L169 PolarHBondContact O-N 3.4Å; L169-L173 HydrophobicContact CD1-CD1 4.25Å; L169-L173 HydrophobicContact CD1-CG 4.35Å; L169-L173 HydrophobicContact CG-CD1 4.37Å; L169-L173 WeakPolarHBondContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.12Å
170K95.4Very high91.8Very high31 Ų3152 Ų5214%0.13525%0.247CC..Hα-helixtrans-65.7-37176.3-78.5-173.2165-169.80112.6S134 L136 D138 F141 L166 P167 R174S134-K170 WeakPolarHBondContact CB-O 3.49Å; L136-K170 PolarHBondContact O-NZ 3.26Å; D138-K170 IonicContact OD1-NZ 3.65Å; D138-K170 PolarHBondContact OD1-NZ 3.49Å; F141-K170 HydrophobicContact CD2-CG 4.15Å; F141-K170 HydrophobicContact CE2-CG 3.89Å; F141-K170 HydrophobicContact CZ-CG 4.13Å; L166-K170 HydrophobicContact CD1-CD 4.33Å; L166-K170 HydrophobicContact CD1-CG 4.14Å; L166-K170 HydrophobicContact CG-CD 4.3Å; L166-K170 HydrophobicContact CG-CG 4.45Å; L166-K170 WeakPolarHBondContact O-CB 3.41Å; L166-K170 PolarHBondContact O-N 2.83Å; P167-K170 PolarHBondContact O-N 3.45Å; K170-R174 WeakPolarHBondContact O-CB 3.22Å; K170-R174 PolarHBondContact O-N 2.98Å
171A96.5Very high91.3Very high15 Ų1547.4 Ų47.412%0.12422%0.224CC..Hα-helixtrans-65.1-49.5176.200000111.5F60 P167 A168 L173 R174 V175F60-A171 HydrophobicContact CB-CB 3.51Å; F60-A171 HydrophobicContact CD1-CB 4.17Å; F60-A171 HydrophobicContact CD2-CB 3.85Å; F60-A171 HydrophobicContact CG-CB 3.57Å; P167-A171 WeakPolarHBondContact O-CB 3.23Å; P167-A171 PolarHBondContact O-N 2.82Å; A168-A171 PolarHBondContact O-N 3.12Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.96Å; A171-R174 WeakPolarHBondContact O-CB 3.34Å; A171-R174 PolarHBondContact O-N 2.95Å; A171-R174 VanDerWaalsContact O-N 3.1Å; A171-V175 PolarHBondContact O-N 3.08Å
172D97.1Very high90.7Very high3 Ų350.4 Ų50.42%0.01625%0.247CC..Hα-helixtrans-60.3-41.5177-70.7-4.1000111A24 G25 R52 F91 A168 R174 V175 V176A24-D172 HydrophobicContact CB-CB 3.67Å; G25-D172 PolarHBondContact N-OD2 3.3Å; R52-D172 IonicContact CZ-OD2 3.97Å; R52-D172 IonicContact NH1-OD1 3.55Å; R52-D172 PolarHBondContact NH1-OD1 3.31Å; R52-D172 IonicContact NH1-OD2 3.33Å; R52-D172 PolarHBondContact NH1-OD2 3.46Å; R52-D172 VanDerWaalsContact NH1-OD2 3.12Å; R52-D172 IonicContact NH2-OD2 2.94Å; R52-D172 PolarHBondContact NH2-OD2 3.05Å; F91-D172 HydrophobicContact CD1-CB 4.42Å; F91-D172 HydrophobicContact CD2-CB 4.31Å; F91-D172 WeakPolarHBondContact CD2-O 3.37Å; F91-D172 HydrophobicContact CE1-CB 4.25Å; F91-D172 HydrophobicContact CE2-CB 4.15Å; F91-D172 WeakPolarHBondContact CE2-O 3.39Å; F91-D172 HydrophobicContact CG-CB 4.45Å; F91-D172 HydrophobicContact CZ-CB 4.09Å; A168-D172 WeakPolarHBondContact O-CB 3.24Å; A168-D172 PolarHBondContact O-N 2.93Å; D172-R174 PolarHBondContact O-N 2.93Å; D172-V175 WeakPolarHBondContact O-CB 3.48Å; D172-V175 PolarHBondContact O-N 3.43Å; D172-V176 PolarHBondContact O-N 2.92Å; D172-V176 VanDerWaalsContact O-N 3.13Å
173L95.6Very high90Very high20 Ų2055.8 Ų55.811%0.10527%0.271CS..Hα-helixtrans-63.6-39.7174.5-74.6174.7000112.6A24 R133 F141 W144 L169 A171 V175 V176 E177A24-L173 HydrophobicContact CB-CD2 4.23Å; A24-L173 HydrophobicContact CB-CG 4.22Å; R133-L173 HydrophobicContact CB-CD1 4.32Å; F141-L173 HydrophobicContact CE2-CD1 3.54Å; F141-L173 HydrophobicContact CZ-CD1 3.53Å; W144-L173 HydrophobicContact CH2-CD1 3.91Å; W144-L173 HydrophobicContact CZ3-CD1 3.88Å; L169-L173 HydrophobicContact CD1-CD1 4.25Å; L169-L173 HydrophobicContact CD1-CG 4.35Å; L169-L173 HydrophobicContact CG-CD1 4.37Å; L169-L173 WeakPolarHBondContact O-CB 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 3.12Å; A171-L173 VanDerWaalsContact C-N 3.32Å; A171-L173 PolarHBondContact O-N 2.96Å; L173-V175 VanDerWaalsContact C-N 3.29Å; L173-V175 PolarHBondContact O-N 3.25Å; L173-V176 HydrophobicContact CD2-CG1 4.33Å; L173-V176 WeakPolarHBondContact O-CG1 3.34Å; L173-V176 PolarHBondContact O-N 2.98Å; L173-E177 VanDerWaalsContact O-CB 3.23Å; L173-E177 WeakPolarHBondContact O-CB 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.38Å; L173-E177 PolarHBondContact O-N 3.38Å
174R96.7Very high89.3Confident112 Ų11248.3 Ų48.342%0.42325%0.247SC..Hα-helixtrans-61.1-41.2175.8-176.1-178-59.7-90.5-10111.1K170 A171 D172 N178K170-R174 WeakPolarHBondContact O-CB 3.22Å; K170-R174 PolarHBondContact O-N 2.98Å; A171-R174 WeakPolarHBondContact O-CB 3.34Å; A171-R174 PolarHBondContact O-N 2.95Å; A171-R174 VanDerWaalsContact O-N 3.1Å; D172-R174 PolarHBondContact O-N 2.93Å; R174-N178 PolarHBondContact O-N 3.37Å; R174-N178 PolarHBondContact O-ND2 2.87Å
175V97.4Very high89.1Confident2 Ų250.6 Ų50.61%0.01226%0.26CS..Hα-helixtrans-58.5-51175.9170.90000110.3F61 M64 I67 F91 A171 D172 L173 N178 Y179F61-V175 WeakPolarHBondContact O-CG2 3.33Å; M64-V175 HydrophobicContact CB-CG1 4.16Å; M64-V175 HydrophobicContact CE-CG1 4.19Å; M64-V175 HydrophobicContact SD-CG1 4.45Å; I67-V175 HydrophobicContact CD1-CG1 3.89Å; F91-V175 HydrophobicContact CE2-CB 4.11Å; F91-V175 HydrophobicContact CE2-CG1 4.09Å; F91-V175 HydrophobicContact CZ-CB 4.47Å; F91-V175 HydrophobicContact CZ-CG1 4.33Å; A171-V175 PolarHBondContact O-N 3.08Å; D172-V175 WeakPolarHBondContact O-CB 3.48Å; D172-V175 PolarHBondContact O-N 3.43Å; L173-V175 VanDerWaalsContact C-N 3.29Å; L173-V175 PolarHBondContact O-N 3.25Å; V175-N178 PolarHBondContact O-N 2.83Å; V175-Y179 WeakPolarHBondContact O-CB 3.21Å; V175-Y179 PolarHBondContact O-N 3.25Å
176V94.8Very high89Confident18 Ų1850.4 Ų50.411%0.10927%0.269CS..Hα-helixtrans-72.5-40.6-174.981.50000112.3F91 L94 R127 D172 L173 N178 Y179F91-V176 HydrophobicContact CD2-CB 3.74Å; F91-V176 HydrophobicContact CD2-CG1 4.24Å; F91-V176 HydrophobicContact CD2-CG2 4.19Å; F91-V176 HydrophobicContact CE2-CB 4.01Å; L94-V176 HydrophobicContact CB-CG2 4.13Å; L94-V176 HydrophobicContact CD1-CG2 3.18Å; L94-V176 HydrophobicContact CG-CG2 4.27Å; R127-V176 PolarHBondContact NH2-O 3.42Å; D172-V176 PolarHBondContact O-N 2.92Å; D172-V176 VanDerWaalsContact O-N 3.13Å; L173-V176 HydrophobicContact CD2-CG1 4.33Å; L173-V176 WeakPolarHBondContact O-CG1 3.34Å; L173-V176 PolarHBondContact O-N 2.98Å; V176-N178 PolarHBondContact O-N 3.23Å; V176-N178 VanDerWaalsContact O-N 3.16Å; V176-Y179 WeakPolarHBondContact O-CB 3.45Å; V176-Y179 PolarHBondContact O-N 3.21Å
177E94.6Very high89Confident29 Ų2953.3 Ų53.314%0.13629%0.289CS..Hα-helixtrans-61.6-26178.1-74.1168.5-173.300113K132 R133 S134 L173 R180K132-E177 WeakPolarHBondContact CB-OE2 3.39Å; K132-E177 HydrophobicContact CG-CB 4.33Å; K132-E177 HydrophobicContact CG-CG 4.47Å; R133-E177 WeakPolarHBondContact CA-OE1 3.32Å; R133-E177 PolarHBondContact N-OE1 3.02Å; S134-E177 WeakPolarHBondContact CB-OE2 3.5Å; S134-E177 PolarHBondContact N-OE1 3.13Å; S134-E177 PolarHBondContact N-OE2 2.99Å; S134-E177 PolarHBondContact OG-OE2 3.44Å; L173-E177 VanDerWaalsContact O-CB 3.23Å; L173-E177 WeakPolarHBondContact O-CB 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.38Å; L173-E177 PolarHBondContact O-N 3.38Å; E177-R180 PolarHBondContact O-NH1 3.44Å; E177-R180 PolarHBondContact O-NH2 2.82Å; E177-R180 VanDerWaalsContact O-NH2 3.07Å
178N92.8Very high89Confident77 Ų7751.7 Ų51.741%0.41228%0.278SS..Hα-helixtrans-101-7.5176.1-62-65.3000113.3K132 R174 V175 V176 R180K132-N178 PolarHBondContact NZ-OD1 2.77Å; R174-N178 PolarHBondContact O-N 3.37Å; R174-N178 PolarHBondContact O-ND2 2.87Å; V175-N178 PolarHBondContact O-N 2.83Å; V176-N178 PolarHBondContact O-N 3.23Å; V176-N178 VanDerWaalsContact O-N 3.16Å; N178-R180 PolarHBondContact O-N 2.78Å
179Y93.6Very high89.1Confident26 Ų2651.7 Ų51.710%0.10228%0.277CS..  trans-67.2123.1172.4178-127.6000110.2M64 L94 A98 P122 R127 V175 V176M64-Y179 HydrophobicContact CB-CD2 3.71Å; M64-Y179 HydrophobicContact CB-CE2 4.25Å; M64-Y179 HydrophobicContact CB-CG 4.19Å; M64-Y179 HydrophobicContact CE-CD1 3.89Å; M64-Y179 HydrophobicContact CE-CD2 4.49Å; M64-Y179 HydrophobicContact CE-CE1 4.4Å; M64-Y179 HydrophobicContact CE-CG 3.94Å; M64-Y179 HydrophobicContact CG-CD2 3.84Å; M64-Y179 HydrophobicContact CG-CE2 3.96Å; M64-Y179 HydrophobicContact CG-CG 4.24Å; L94-Y179 HydrophobicContact CB-CD1 4.5Å; A98-Y179 HydrophobicContact CB-CE2 4.47Å; P122-Y179 HydrophobicContact CB-CD1 4.29Å; P122-Y179 HydrophobicContact CB-CE1 3.7Å; P122-Y179 HydrophobicContact CG-CE1 4.49Å; R127-Y179 PolarHBondContact NH1-O 3.11Å; R127-Y179 PolarHBondContact NH2-O 3.15Å; V175-Y179 WeakPolarHBondContact O-CB 3.21Å; V175-Y179 PolarHBondContact O-N 3.25Å; V176-Y179 WeakPolarHBondContact O-CB 3.45Å; V176-Y179 PolarHBondContact O-N 3.21Å
180R84.6Confident89.3Confident129 Ų12954 Ų5449%0.48729%0.294SS..  trans-124.2133.7177.2-63.5-66.8175-80.10.4107.9E177 N178E177-R180 PolarHBondContact O-NH1 3.44Å; E177-R180 PolarHBondContact O-NH2 2.82Å; E177-R180 VanDerWaalsContact O-NH2 3.07Å; N178-R180 PolarHBondContact O-N 2.78Å
181C79.4Confident89.4Confident22 Ų2252.8 Ų52.815%0.14929%0.29CS..  trans-122.8132.9168.3-173.10000106.4P122P122-C181 HydrophobicContact CB-CB 3.77Å; P122-C181 HydrophobicContact CG-CB 4.01Å
182S72.8Confident89.5Confident106 Ų10653.9 Ų53.974%0.74130%0.296SS*.PPolyproline II helixtrans-61.1144.5166.9-58.20000108.6P184S182-P184 WeakPolarHBondContact O-CD 3.48Å
183E73.1Confident89.5Confident127 Ų12753.8 Ų53.859%0.59330%0.295SS*.PPolyproline II helixtrans-59.9124165.6-171168.2-16400107.4H123H123-E183 HydrophobicContact CB-CB 4.26Å
184P72Confident89.7Confident33 Ų3353 Ų5321%0.21429%0.291CS..PPolyproline II helixtrans-76.4144.3-173.233.7-36.5000109.8S182 G186 V188S182-P184 WeakPolarHBondContact O-CD 3.48Å; P184-G186 VanDerWaalsContact CB-O 3.24Å; P184-G186 WeakPolarHBondContact CB-O 3.44Å; P184-G186 PolarHBondContact O-N 3.15Å; P184-V188 HydrophobicContact CB-CG2 3.71Å; P184-V188 HydrophobicContact CG-CG2 4.15Å
185D80.2Confident89.8Confident189 Ų18947.6 Ų47.6100%1.01127%0.271SS*.SBendtrans-63.4-9.7177.9-64.5-40.2000113.2
186G83.4Confident89.9Confident36 Ų3647.5 Ų47.537%0.37127%0.27SS..SBendtrans-171.4174174.600000110.1P184 V188P184-G186 VanDerWaalsContact CB-O 3.24Å; P184-G186 WeakPolarHBondContact CB-O 3.44Å; P184-G186 PolarHBondContact O-N 3.15Å; G186-V188 PolarHBondContact O-N 3.43Å
187P89.8Confident90Very high68 Ų6846.9 Ų46.944%0.44227%0.267SS..  trans-61127.1-179.224.6-32.4000111.3L189 S214P187-L189 VanDerWaalsContact C-N 3.34Å; P187-S214 VanDerWaalsContact CB-N 3.31Å
188V92.1Very high90.1Very high26 Ų2645.7 Ų45.716%0.15826%0.262CS..SBendtrans-73.7-34178.1179.70000110.4E101 P184 G186 V212E101-V188 HydrophobicContact CB-CG1 4.47Å; E101-V188 HydrophobicContact CG-CG1 4.12Å; P184-V188 HydrophobicContact CB-CG2 3.71Å; P184-V188 HydrophobicContact CG-CG2 4.15Å; G186-V188 PolarHBondContact O-N 3.43Å; V188-V212 PolarHBondContact N-O 3.33Å; V188-V212 VanDerWaalsContact N-O 3.16Å
189L96.3Very high90.3Very high2 Ų247.8 Ų47.81%0.0127%0.267CS..BIsolated β-bridgetrans-107.9158.2-175.8-60.6177.9000110.5F97 A100 K104 E110 M114 P187 V212 T213 S214F97-L189 HydrophobicContact CD2-CD1 4.25Å; F97-L189 HydrophobicContact CE2-CD1 4.15Å; A100-L189 HydrophobicContact CB-CD1 4.12Å; A100-L189 HydrophobicContact CB-CD2 4.25Å; K104-L189 HydrophobicContact CB-CD2 4.12Å; K104-L189 HydrophobicContact CG-CD2 4.41Å; E110-L189 HydrophobicContact CG-CD2 3.96Å; E110-L189 WeakPolarHBondContact OE1-CA 3.49Å; E110-L189 WeakPolarHBondContact OE1-CB 3.34Å; M114-L189 HydrophobicContact SD-CD1 3.34Å; M114-L189 WeakPolarHBondContact SD-CD1 3.34Å; P187-L189 VanDerWaalsContact C-N 3.34Å; L189-V212 WeakPolarHBondContact CB-O 3.42Å; L189-V212 PolarHBondContact N-O 3.32Å; L189-T213 CarbonylContact O-C 3.51Å; L189-T213 VanDerWaalsContact O-CA 3.26Å; L189-T213 WeakPolarHBondContact O-CA 3.45Å; L189-T213 PolarHBondContact O-OG1 2.94Å; L189-S214 PolarHBondContact O-N 2.94Å; L189-S214 PolarHBondContact O-OG 3.38Å
190S97.1Very high90.3Very high62 Ų6252 Ų5243%0.43429%0.288SS..  trans-117.8-11170.560.40000113.5E110 S214 G215E110-S190 PolarHBondContact OE1-N 3.07Å; E110-S190 PolarHBondContact OE2-N 3.05Å; E110-S190 PolarHBondContact OE2-OG 3.15Å; S190-S214 WeakPolarHBondContact CA-OG 3.22Å; S190-G215 WeakPolarHBondContact O-CA 3.44Å; S190-G215 PolarHBondContact O-N 3.17Å
191C97.6Very high90.7Very high6 Ų647 Ų474%0.04127%0.271CS..SBendtrans-71.5147.4177.8650000112.3E110 P111 T213E110-C191 HydrophobicContact CG-CB 4.24Å; E110-C191 WeakPolarHBondContact OE1-CB 3.08Å; E110-C191 PolarHBondContact OE1-N 3.21Å; E110-C191 PolarHBondContact OE1-SG 3.32Å; P111-C191 WeakPolarHBondContact O-CB 3.46Å; C191-T213 WeakPolarHBondContact O-CB 3.35Å; C191-T213 PolarHBondContact O-OG1 3.43Å
192P98.2Very high91.2Very high39 Ų3950.2 Ų50.225%0.25329%0.29SS..  trans-60.3145.1173.3-23.334.3000112.6I112 M114 D216I112-P192 WeakPolarHBondContact O-CD 3.46Å; M114-P192 PolarHBondContact N-O 2.74Å; P192-D216 CarbonylContact C-O 3.54Å; P192-D216 VanDerWaalsContact CA-O 3.26Å; P192-D216 WeakPolarHBondContact CA-O 3.41Å; P192-D216 HydrophobicContact CB-CB 4.19Å
193V98.6Very high92Very high0 Ų050.9 Ų50.90%029%0.291CS..EExtended strand (participates in β ladder)trans-120.7127.4179.3173.60000109.3M114 L116 T213 D216 F217 T218M114-V193 HydrophobicContact CB-CG2 4.12Å; M114-V193 CarbonylContact O-C 3.5Å; M114-V193 WeakPolarHBondContact O-CA 3.23Å; L116-V193 HydrophobicContact CD1-CG1 3.79Å; L116-V193 HydrophobicContact CG-CG1 4.42Å; V193-T213 HydrophobicContact CB-CG2 3.93Å; V193-T213 HydrophobicContact CG2-CG2 3.48Å; V193-T213 VanDerWaalsContact CG2-CG2 3.48Å; V193-D216 PolarHBondContact N-O 3.28Å; V193-F217 HydrophobicContact CB-CD2 4.15Å; V193-F217 HydrophobicContact CG1-CD2 4.06Å; V193-F217 HydrophobicContact CG1-CE2 4.14Å; V193-F217 WeakPolarHBondContact O-CA 3.03Å; V193-T218 PolarHBondContact O-N 3.13Å
194T98.8Very high93.1Very high3 Ų346.9 Ų46.92%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-115122.7168.1-57.60000110.5H113 M114 F115 L116 F196 T218 R220 F241H113-T194 PolarHBondContact NE2-OG1 3.46Å; M114-T194 PolarHBondContact O-N 2.73Å; F115-T194 CarbonylContact C-O 3.3Å; F115-T194 WeakPolarHBondContact CA-O 3.25Å; L116-T194 PolarHBondContact N-O 3.49Å; T194-F196 HydrophobicContact CG2-CD1 4.18Å; T194-F196 HydrophobicContact CG2-CE1 3.64Å; T194-F196 HydrophobicContact CG2-CE2 4.2Å; T194-F196 HydrophobicContact CG2-CZ 3.64Å; T194-T218 CarbonylContact C-O 3.51Å; T194-T218 WeakPolarHBondContact CA-O 3.33Å; T194-T218 HydrophobicContact CG2-CG2 4.39Å; T194-R220 HydrophobicContact CG2-CG 4.48Å; T194-F241 HydrophobicContact CG2-CE1 3.69Å; T194-F241 HydrophobicContact CG2-CZ 4.01Å
195C98.7Very high94.2Very high0 Ų047.7 Ų47.70%028%0.275CS..EExtended strand (participates in β ladder)trans-95141.5171.8-67.90000111.6L116 L206 T218 V219 R220L116-C195 CarbonylContact O-C 3.52Å; L116-C195 WeakPolarHBondContact O-CA 3.19Å; C195-L206 HydrophobicContact CB-CB 4.47Å; C195-L206 HydrophobicContact CB-CD2 4.46Å; C195-T218 PolarHBondContact N-O 2.65Å; C195-V219 HydrophobicContact CB-CG2 4.21Å; C195-V219 CarbonylContact O-C 3.59Å; C195-V219 WeakPolarHBondContact O-CA 3.49Å; C195-R220 PolarHBondContact O-N 3.46Å
196F98.6Very high95Very high0 Ų039.3 Ų39.30%023%0.23CC..EExtended strand (participates in β ladder)trans-125.7139175.4-56.4-67.6000110.3F87 F115 L116 S117 G118 T194 R220 F222 Y228 L238 F241F87-F196 HydrophobicContact CE2-CD2 4.3Å; F87-F196 HydrophobicContact CE2-CE2 4.35Å; F115-F196 HydrophobicContact CB-CE2 3.93Å; F115-F196 AromaticContact CD1-CE2 3.65Å; F115-F196 HydrophobicContact CD1-CE2 3.65Å; F115-F196 AromaticContact CD1-CZ 3.9Å; F115-F196 HydrophobicContact CD1-CZ 3.9Å; F115-F196 HydrophobicContact CG-CE2 4.19Å; L116-F196 PolarHBondContact O-N 3.14Å; S117-F196 CarbonylContact C-O 3.58Å; S117-F196 VanDerWaalsContact CA-O 3.28Å; S117-F196 WeakPolarHBondContact CA-O 3.43Å; G118-F196 PolarHBondContact N-O 3.29Å; T194-F196 HydrophobicContact CG2-CD1 4.18Å; T194-F196 HydrophobicContact CG2-CE1 3.64Å; T194-F196 HydrophobicContact CG2-CE2 4.2Å; T194-F196 HydrophobicContact CG2-CZ 3.64Å; F196-R220 VanDerWaalsContact CA-O 3.3Å; F196-R220 WeakPolarHBondContact CA-O 3.44Å; F196-R220 HydrophobicContact CD1-CB 3.98Å; F196-R220 HydrophobicContact CD1-CG 4.31Å; F196-R220 HydrophobicContact CE1-CB 4.31Å; F196-R220 HydrophobicContact CE1-CG 4.21Å; F196-F222 HydrophobicContact CB-CE2 4.2Å; F196-F222 AromaticContact CD1-CE2 3.65Å; F196-F222 HydrophobicContact CD1-CE2 3.65Å; F196-F222 HydrophobicContact CD1-CZ 4.37Å; F196-F222 HydrophobicContact CE1-CE2 4.34Å; F196-F222 HydrophobicContact CG-CE2 4.23Å; F196-Y228 HydrophobicContact CB-CE2 4.43Å; F196-Y228 WeakPolarHBondContact CB-OH 3.48Å; F196-Y228 PolarHBondContact O-OH 2.82Å; F196-L238 HydrophobicContact CD2-CD1 4.41Å; F196-F241 AromaticContact CE1-CD1 3.93Å; F196-F241 HydrophobicContact CE1-CD1 3.93Å; F196-F241 HydrophobicContact CE1-CE1 4.17Å; F196-F241 HydrophobicContact CE1-CG 4.49Å; F196-F241 AromaticContact CZ-CD1 3.61Å; F196-F241 HydrophobicContact CZ-CD1 3.61Å; F196-F241 AromaticContact CZ-CE1 3.9Å; F196-F241 HydrophobicContact CZ-CE1 3.9Å; F196-F241 HydrophobicContact CZ-CG 4.5Å
197D98.2Very high95.6Very high5 Ų542.9 Ų42.93%0.02724%0.237CC..EExtended strand (participates in β ladder)trans-151.2160.9176.4-152.64.7000113.6H204 L206 R220 M221 F222 Y228D197-H204 IonicContact OD1-CE1 3.78Å; D197-H204 IonicContact OD1-ND1 2.89Å; D197-H204 PolarHBondContact OD1-ND1 3.28Å; D197-H204 WeakPolarHBondContact OD2-CB 3.45Å; D197-H204 IonicContact OD2-CG 3.81Å; D197-H204 IonicContact OD2-ND1 3.83Å; D197-H204 PolarHBondContact OD2-ND1 3.49Å; D197-L206 HydrophobicContact CB-CD1 3.57Å; D197-L206 HydrophobicContact CB-CD2 4.25Å; D197-L206 HydrophobicContact CB-CG 4.46Å; D197-R220 PolarHBondContact N-O 3.48Å; D197-M221 HydrophobicContact CB-CE 3.82Å; D197-M221 HydrophobicContact CB-SD 3.91Å; D197-M221 CarbonylContact O-C 3.59Å; D197-M221 VanDerWaalsContact O-CA 3.31Å; D197-M221 WeakPolarHBondContact O-CA 3.48Å; D197-F222 PolarHBondContact O-N 3.43Å; D197-Y228 VanDerWaalsContact C-CE1 3.47Å; D197-Y228 PolarHBondContact N-OH 2.94Å
198G97Very high95.8Very high4 Ų440.1 Ų40.14%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-86138.1176.300000111.5E200 D201 F222 G224G198-E200 VanDerWaalsContact C-N 3.26Å; G198-E200 PolarHBondContact O-N 3.33Å; G198-D201 WeakPolarHBondContact O-CB 3.15Å; G198-D201 PolarHBondContact O-N 3.36Å; G198-F222 CarbonylContact C-O 3.31Å; G198-F222 WeakPolarHBondContact CA-O 3.49Å; G198-G224 CarbonylContact C-O 3.37Å; G198-G224 VanDerWaalsContact C-O 3.3Å; G198-G224 WeakPolarHBondContact CA-O 3.5Å
199K96.6Very high96Very high120 Ų12038.9 Ų38.952%0.52221%0.213SC..THydrogen-bonded Turntrans-67.4-28.9177.4-71.8176.6-167.2165.90112.6M221 F222 D223 G224K199-M221 HydrophobicContact CG-CB 3.97Å; K199-F222 WeakPolarHBondContact CG-O 3.46Å; K199-F222 PolarHBondContact N-O 3.07Å; K199-D223 WeakPolarHBondContact CD-OD1 3.13Å; K199-D223 WeakPolarHBondContact CE-OD1 3.49Å; K199-D223 IonicContact NZ-OD1 3.7Å; K199-D223 PolarHBondContact NZ-OD1 3.39Å; K199-G224 PolarHBondContact N-O 2.95Å
200E94.1Very high96Very high116 Ų11646 Ų4654%0.54224%0.239SC..THydrogen-bonded Turntrans-102.313.4178.5-59.576.3-161.600112.3G198 G224G198-E200 VanDerWaalsContact C-N 3.26Å; G198-E200 PolarHBondContact O-N 3.33Å; E200-G224 PolarHBondContact N-O 3.29Å; E200-G224 VanDerWaalsContact N-O 3.15Å; E200-G224 VanDerWaalsContact OE2-CA 3.23Å; E200-G224 WeakPolarHBondContact OE2-CA 3.35Å; E200-G224 PolarHBondContact OE2-N 3.08Å
201D92.9Very high95.8Very high24 Ų2446.7 Ų46.713%0.12824%0.238CC..SBendtrans-78.7167.9173.3-157.92000111.7G198 H204 H226G198-D201 WeakPolarHBondContact O-CB 3.15Å; G198-D201 PolarHBondContact O-N 3.36Å; D201-H204 IonicContact OD2-CE1 2.65Å; D201-H204 PolarHBondContact OD2-CE1 3.12Å; D201-H204 IonicContact OD2-ND1 2.67Å; D201-H226 WeakPolarHBondContact OD1-CB 3.35Å; D201-H226 IonicContact OD1-CG 2.81Å; D201-H226 PolarHBondContact OD1-N 2.62Å; D201-H226 IonicContact OD1-ND1 2.74Å; D201-H226 PolarHBondContact OD1-ND1 2.93Å; D201-H226 WeakPolarHBondContact OD2-CA 3.36Å; D201-H226 IonicContact OD2-CE1 3.88Å; D201-H226 IonicContact OD2-CG 3.25Å; D201-H226 IonicContact OD2-ND1 3.42Å; D201-H226 PolarHBondContact OD2-ND1 3.29Å
202V89.8Confident95.7Very high88 Ų8846.4 Ų46.453%0.53324%0.236SC..PPolyproline II helixtrans-59.5140.9165.3-61.20000109.4H204V202-H204 PolarHBondContact O-CE1 3.5Å; V202-H204 PolarHBondContact O-N 2.94Å; V202-H204 VanDerWaalsContact O-N 3.12Å; V202-H204 PolarHBondContact O-ND1 3.31Å
203P89.8Confident95.6Very high120 Ų12045 Ų4578%0.77923%0.227SC*.PPolyproline II helixtrans-60.5119.5-178.6-26.234.8000112.5
204H95.1Very high95.5Very high43 Ų4349 Ų4920%0.19926%0.255CS..PPolyproline II helixtrans-97.8144.7168.4-62.1109.4000111.3S120 D197 D201 V202 L206 H226S120-H204 WeakPolarHBondContact OG-CA 3.43Å; D197-H204 IonicContact OD1-CE1 3.78Å; D197-H204 IonicContact OD1-ND1 2.89Å; D197-H204 PolarHBondContact OD1-ND1 3.28Å; D197-H204 WeakPolarHBondContact OD2-CB 3.45Å; D197-H204 IonicContact OD2-CG 3.81Å; D197-H204 IonicContact OD2-ND1 3.83Å; D197-H204 PolarHBondContact OD2-ND1 3.49Å; D201-H204 IonicContact OD2-CE1 2.65Å; D201-H204 PolarHBondContact OD2-CE1 3.12Å; D201-H204 IonicContact OD2-ND1 2.67Å; V202-H204 PolarHBondContact O-CE1 3.5Å; V202-H204 PolarHBondContact O-N 2.94Å; V202-H204 VanDerWaalsContact O-N 3.12Å; V202-H204 PolarHBondContact O-ND1 3.31Å; H204-L206 VanDerWaalsContact C-N 3.25Å; H204-L206 HydrophobicContact CB-CD2 3.71Å; H204-L206 HydrophobicContact CB-CG 4.11Å; H204-L206 PolarHBondContact O-N 3.49Å; H204-H226 AromaticContact CE1-ND1 3.97Å
205D95.3Very high95.5Very high50 Ų5050 Ų5027%0.26727%0.265SS..  trans-83.676.7170.818010.4000109.2S120 S124 Q207 A208S120-D205 PolarHBondContact OG-N 2.97Å; S124-D205 WeakPolarHBondContact CB-OD2 3.36Å; S124-D205 WeakPolarHBondContact OG-CB 3.29Å; S124-D205 PolarHBondContact OG-OD2 2.97Å; D205-Q207 VanDerWaalsContact C-N 3.29Å; D205-A208 PolarHBondContact OD1-N 3.17Å; D205-A208 WeakPolarHBondContact OD2-CB 3.19Å
206L96.8Very high95.4Very high14 Ų1456.1 Ų56.17%0.07330%0.298CS..  trans-69.7-31-178.2-57176.3000111.5C195 D197 H204 A208 W209 F217 V219 M221C195-L206 HydrophobicContact CB-CB 4.47Å; C195-L206 HydrophobicContact CB-CD2 4.46Å; D197-L206 HydrophobicContact CB-CD1 3.57Å; D197-L206 HydrophobicContact CB-CD2 4.25Å; D197-L206 HydrophobicContact CB-CG 4.46Å; H204-L206 VanDerWaalsContact C-N 3.25Å; H204-L206 HydrophobicContact CB-CD2 3.71Å; H204-L206 HydrophobicContact CB-CG 4.11Å; H204-L206 PolarHBondContact O-N 3.49Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.28Å; L206-W209 WeakPolarHBondContact O-CB 3.38Å; L206-W209 PolarHBondContact O-N 2.8Å; L206-W209 VanDerWaalsContact O-N 3.12Å; L206-F217 VanDerWaalsContact O-CZ 3.29Å; L206-F217 WeakPolarHBondContact O-CZ 3.36Å; L206-V219 HydrophobicContact CB-CG2 4.4Å; L206-V219 HydrophobicContact CD1-CG1 3.64Å; L206-M221 HydrophobicContact CD1-SD 4.06Å
207Q95.9Very high95.4Very high111 Ų11157.5 Ų57.552%0.51931%0.305SS..G310 helixtrans-67-29.2-176.8-66.9-60.7-37.600112.4D205 W209 R210D205-Q207 VanDerWaalsContact C-N 3.29Å; Q207-W209 PolarHBondContact O-N 3.32Å; Q207-W209 VanDerWaalsContact O-N 3.13Å; Q207-R210 WeakPolarHBondContact O-CB 3.42Å; Q207-R210 PolarHBondContact O-N 3.25Å
208A94.9Very high95.4Very high9 Ų960.1 Ų60.17%0.07432%0.321CS..G310 helixtrans-58.6-23.4173.500000113.4A121 H123 D205 L206 R210 N211A121-A208 HydrophobicContact CB-CB 3.59Å; H123-A208 PolarHBondContact CE1-O 3.21Å; H123-A208 PolarHBondContact NE2-O 3.22Å; H123-A208 VanDerWaalsContact NE2-O 3.16Å; D205-A208 PolarHBondContact OD1-N 3.17Å; D205-A208 WeakPolarHBondContact OD2-CB 3.19Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.28Å; A208-R210 PolarHBondContact O-N 2.93Å; A208-N211 PolarHBondContact O-N 2.95Å
209W95.9Very high95.5Very high1 Ų162.2 Ų62.20%0.00433%0.332CS..G310 helixtrans-66-22.1173.6-72.9113000113.2L94 F97 L116 A119 A121 L206 Q207 N211 V212 F217L94-W209 HydrophobicContact CD2-CH2 3.91Å; L94-W209 HydrophobicContact CD2-CZ2 4.03Å; F97-W209 HydrophobicContact CB-CH2 3.81Å; F97-W209 HydrophobicContact CB-CZ3 3.75Å; F97-W209 HydrophobicContact CD1-CZ3 4.32Å; F97-W209 AromaticContact CD2-CZ3 3.72Å; F97-W209 HydrophobicContact CD2-CZ3 3.72Å; F97-W209 HydrophobicContact CE2-CZ3 4.46Å; F97-W209 HydrophobicContact CG-CH2 4.1Å; F97-W209 AromaticContact CG-CZ3 3.63Å; F97-W209 HydrophobicContact CG-CZ3 3.63Å; L116-W209 HydrophobicContact CD1-CD2 3.41Å; L116-W209 VanDerWaalsContact CD1-CD2 3.41Å; L116-W209 HydrophobicContact CD1-CE3 3.3Å; L116-W209 HydrophobicContact CD1-CG 4.02Å; L116-W209 HydrophobicContact CD1-CH2 3.81Å; L116-W209 HydrophobicContact CD1-CZ2 3.94Å; L116-W209 HydrophobicContact CD1-CZ3 3.51Å; L116-W209 HydrophobicContact CD2-CH2 4.32Å; A119-W209 PolarHBondContact O-NE1 3.16Å; A121-W209 VanDerWaalsContact CA-CE2 3.43Å; A121-W209 HydrophobicContact CB-CD2 3.68Å; A121-W209 HydrophobicContact CB-CE3 3.99Å; A121-W209 HydrophobicContact CB-CG 3.92Å; L206-W209 WeakPolarHBondContact O-CB 3.38Å; L206-W209 PolarHBondContact O-N 2.8Å; L206-W209 VanDerWaalsContact O-N 3.12Å; Q207-W209 PolarHBondContact O-N 3.32Å; Q207-W209 VanDerWaalsContact O-N 3.13Å; W209-N211 PolarHBondContact O-N 2.91Å; W209-V212 HydrophobicContact CE3-CG1 4.12Å; W209-V212 HydrophobicContact CE3-CG2 3.95Å; W209-V212 HydrophobicContact CZ3-CG2 4.47Å; W209-V212 WeakPolarHBondContact O-CG2 3.29Å; W209-V212 PolarHBondContact O-N 3.34Å; W209-F217 HydrophobicContact CB-CE2 3.7Å; W209-F217 HydrophobicContact CB-CZ 4.3Å
210R95.8Very high95.5Very high150 Ų15061.2 Ų61.257%0.56633%0.325SS*.G310 helixtrans-58.6-31.8174.8-171.5-179.9-177.2113.56.2112Q207 A208 V212 F217Q207-R210 WeakPolarHBondContact O-CB 3.42Å; Q207-R210 PolarHBondContact O-N 3.25Å; A208-R210 PolarHBondContact O-N 2.93Å; R210-V212 PolarHBondContact O-N 3.46Å; R210-F217 HydrophobicContact CB-CD1 3.96Å; R210-F217 HydrophobicContact CB-CD2 4.24Å; R210-F217 HydrophobicContact CB-CE1 4.22Å; R210-F217 HydrophobicContact CB-CG 3.96Å; R210-F217 HydrophobicContact CG-CB 4.14Å; R210-F217 HydrophobicContact CG-CD1 4.19Å; R210-F217 HydrophobicContact CG-CG 4.1Å
211N93.9Very high95.7Very high78 Ų7859.9 Ų59.942%0.41732%0.32SS..G310 helixtrans-73.8-14.6-176.5-64.8-7.1000113.1A208 W209A208-N211 PolarHBondContact O-N 2.95Å; W209-N211 PolarHBondContact O-N 2.91Å
212V94.6Very high96Very high0 Ų059.3 Ų59.30%032%0.317CS..G310 helixtrans-86.8-13-178.5-44.50000113.4F97 V188 L189 W209 R210F97-V212 HydrophobicContact CD2-CB 4.44Å; F97-V212 HydrophobicContact CD2-CG2 4.09Å; F97-V212 HydrophobicContact CE2-CB 3.6Å; F97-V212 HydrophobicContact CE2-CG1 3.87Å; F97-V212 HydrophobicContact CE2-CG2 3.71Å; F97-V212 HydrophobicContact CZ-CB 4.14Å; F97-V212 HydrophobicContact CZ-CG1 4.04Å; V188-V212 PolarHBondContact N-O 3.33Å; V188-V212 VanDerWaalsContact N-O 3.16Å; L189-V212 WeakPolarHBondContact CB-O 3.42Å; L189-V212 PolarHBondContact N-O 3.32Å; W209-V212 HydrophobicContact CE3-CG1 4.12Å; W209-V212 HydrophobicContact CE3-CG2 3.95Å; W209-V212 HydrophobicContact CZ3-CG2 4.47Å; W209-V212 WeakPolarHBondContact O-CG2 3.29Å; W209-V212 PolarHBondContact O-N 3.34Å; R210-V212 PolarHBondContact O-N 3.46Å
213T96.7Very high96.3Very high9 Ų959.8 Ų59.86%0.05532%0.316CS..BIsolated β-bridgetrans-132.6147.8-177.8-171.40000113.2L189 C191 V193 G215L189-T213 CarbonylContact O-C 3.51Å; L189-T213 VanDerWaalsContact O-CA 3.26Å; L189-T213 WeakPolarHBondContact O-CA 3.45Å; L189-T213 PolarHBondContact O-OG1 2.94Å; C191-T213 WeakPolarHBondContact O-CB 3.35Å; C191-T213 PolarHBondContact O-OG1 3.43Å; V193-T213 HydrophobicContact CB-CG2 3.93Å; V193-T213 HydrophobicContact CG2-CG2 3.48Å; V193-T213 VanDerWaalsContact CG2-CG2 3.48Å; T213-G215 PolarHBondContact OG1-N 2.98Å
214S97.2Very high96.5Very high83 Ų8355.1 Ų55.158%0.5829%0.29SS*.SBendtrans-90.5-7.9165.659.30000113.2P187 L189 S190P187-S214 VanDerWaalsContact CB-N 3.31Å; L189-S214 PolarHBondContact O-N 2.94Å; L189-S214 PolarHBondContact O-OG 3.38Å; S190-S214 WeakPolarHBondContact CA-OG 3.22Å
215G97.1Very high96.5Very high24 Ų2455.5 Ų55.525%0.24730%0.298CS..SBendtrans-78.6-178.9177.300000113.6S190 T213 F217S190-G215 WeakPolarHBondContact O-CA 3.44Å; S190-G215 PolarHBondContact O-N 3.17Å; T213-G215 PolarHBondContact OG1-N 2.98Å; G215-F217 PolarHBondContact O-N 3.48Å
216D97.7Very high96.4Very high129 Ų12953.9 Ų53.969%0.6929%0.288SS*.  trans-60.9138178.6-74.1-26.5000111.7P192 V193P192-D216 CarbonylContact C-O 3.54Å; P192-D216 VanDerWaalsContact CA-O 3.26Å; P192-D216 WeakPolarHBondContact CA-O 3.41Å; P192-D216 HydrophobicContact CB-CB 4.19Å; V193-D216 PolarHBondContact N-O 3.28Å
217F98.2Very high96.3Very high30 Ų3054.6 Ų54.613%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-120.3123-179.8179.2-102.2000110.8V193 L206 W209 R210 G215 V219V193-F217 HydrophobicContact CB-CD2 4.15Å; V193-F217 HydrophobicContact CG1-CD2 4.06Å; V193-F217 HydrophobicContact CG1-CE2 4.14Å; V193-F217 WeakPolarHBondContact O-CA 3.03Å; L206-F217 VanDerWaalsContact O-CZ 3.29Å; L206-F217 WeakPolarHBondContact O-CZ 3.36Å; W209-F217 HydrophobicContact CB-CE2 3.7Å; W209-F217 HydrophobicContact CB-CZ 4.3Å; R210-F217 HydrophobicContact CB-CD1 3.96Å; R210-F217 HydrophobicContact CB-CD2 4.24Å; R210-F217 HydrophobicContact CB-CE1 4.22Å; R210-F217 HydrophobicContact CB-CG 3.96Å; R210-F217 HydrophobicContact CG-CB 4.14Å; R210-F217 HydrophobicContact CG-CD1 4.19Å; R210-F217 HydrophobicContact CG-CG 4.1Å; G215-F217 PolarHBondContact O-N 3.48Å; F217-V219 HydrophobicContact CE1-CG2 3.5Å; F217-V219 VanDerWaalsContact CE1-CG2 3.5Å; F217-V219 HydrophobicContact CZ-CG2 3.53Å
218T98.1Very high96.3Very high60 Ų6049.5 Ų49.537%0.36827%0.267SS..EExtended strand (participates in β ladder)trans-129.2142-179.7-60.90000110.9V193 T194 C195 R220V193-T218 PolarHBondContact O-N 3.13Å; T194-T218 CarbonylContact C-O 3.51Å; T194-T218 WeakPolarHBondContact CA-O 3.33Å; T194-T218 HydrophobicContact CG2-CG2 4.39Å; C195-T218 PolarHBondContact N-O 2.65Å; T218-R220 HydrophobicContact CG2-CG 4.14Å
219V98.4Very high96.3Very high47 Ų4749.1 Ų49.129%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-118.7136.1171.4-179.60000109.1C195 L206 F217 M221C195-V219 HydrophobicContact CB-CG2 4.21Å; C195-V219 CarbonylContact O-C 3.59Å; C195-V219 WeakPolarHBondContact O-CA 3.49Å; L206-V219 HydrophobicContact CB-CG2 4.4Å; L206-V219 HydrophobicContact CD1-CG1 3.64Å; F217-V219 HydrophobicContact CE1-CG2 3.5Å; F217-V219 VanDerWaalsContact CE1-CG2 3.5Å; F217-V219 HydrophobicContact CZ-CG2 3.53Å; V219-M221 HydrophobicContact CG1-SD 4.1Å
220R98.3Very high96.1Very high99 Ų9953.6 Ų53.637%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-131.1132.8171.5-43-174.7101.9-139.34.5110.9T194 C195 F196 D197 T218T194-R220 HydrophobicContact CG2-CG 4.48Å; C195-R220 PolarHBondContact O-N 3.46Å; F196-R220 VanDerWaalsContact CA-O 3.3Å; F196-R220 WeakPolarHBondContact CA-O 3.44Å; F196-R220 HydrophobicContact CD1-CB 3.98Å; F196-R220 HydrophobicContact CD1-CG 4.31Å; F196-R220 HydrophobicContact CE1-CB 4.31Å; F196-R220 HydrophobicContact CE1-CG 4.21Å; D197-R220 PolarHBondContact N-O 3.48Å; T218-R220 HydrophobicContact CG2-CG 4.14Å
221M98.1Very high96Very high89 Ų8950.4 Ų50.444%0.43828%0.278SS..EExtended strand (participates in β ladder)trans-102.7139.5179.4-55-58.6-64.800110.3D197 K199 L206 V219D197-M221 HydrophobicContact CB-CE 3.82Å; D197-M221 HydrophobicContact CB-SD 3.91Å; D197-M221 CarbonylContact O-C 3.59Å; D197-M221 VanDerWaalsContact O-CA 3.31Å; D197-M221 WeakPolarHBondContact O-CA 3.48Å; K199-M221 HydrophobicContact CG-CB 3.97Å; L206-M221 HydrophobicContact CD1-SD 4.06Å; V219-M221 HydrophobicContact CG1-SD 4.1Å
222F98.3Very high96.1Very high11 Ų1151.2 Ų51.25%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-115.3151.9176.2-71-94.3000110.7F196 D197 G198 K199 Y228 N234 I237 L238F196-F222 HydrophobicContact CB-CE2 4.2Å; F196-F222 AromaticContact CD1-CE2 3.65Å; F196-F222 HydrophobicContact CD1-CE2 3.65Å; F196-F222 HydrophobicContact CD1-CZ 4.37Å; F196-F222 HydrophobicContact CE1-CE2 4.34Å; F196-F222 HydrophobicContact CG-CE2 4.23Å; D197-F222 PolarHBondContact O-N 3.43Å; G198-F222 CarbonylContact C-O 3.31Å; G198-F222 WeakPolarHBondContact CA-O 3.49Å; K199-F222 WeakPolarHBondContact CG-O 3.46Å; K199-F222 PolarHBondContact N-O 3.07Å; F222-Y228 HydrophobicContact CB-CD2 3.48Å; F222-Y228 VanDerWaalsContact CB-CD2 3.48Å; F222-Y228 HydrophobicContact CB-CE2 4.06Å; F222-Y228 HydrophobicContact CB-CG 3.95Å; F222-Y228 HydrophobicContact CD1-CD2 4.43Å; F222-Y228 AromaticContact CD2-CD2 3.78Å; F222-Y228 HydrophobicContact CD2-CD2 3.78Å; F222-Y228 AromaticContact CD2-CE2 3.45Å; F222-Y228 HydrophobicContact CD2-CE2 3.45Å; F222-Y228 VanDerWaalsContact CD2-CE2 3.45Å; F222-Y228 HydrophobicContact CE2-CE2 4.03Å; F222-Y228 AromaticContact CG-CD2 3.66Å; F222-Y228 HydrophobicContact CG-CD2 3.66Å; F222-Y228 AromaticContact CG-CE2 3.85Å; F222-Y228 HydrophobicContact CG-CE2 3.85Å; F222-N234 HydrophobicContact CD1-CB 3.93Å; F222-N234 WeakPolarHBondContact CD1-OD1 3.24Å; F222-N234 HydrophobicContact CE1-CB 4.42Å; F222-I237 HydrophobicContact CE1-CB 4.06Å; F222-I237 HydrophobicContact CE1-CG2 3.76Å; F222-I237 HydrophobicContact CZ-CG2 4.29Å; F222-L238 HydrophobicContact CE1-CB 4.47Å; F222-L238 HydrophobicContact CZ-CB 4.06Å
223D97.4Very high96.2Very high98 Ų9852.8 Ų52.852%0.52431%0.306SS..SBendtrans-69131.2166.9-59.8-33.2000108.4K199 N234K199-D223 WeakPolarHBondContact CD-OD1 3.13Å; K199-D223 WeakPolarHBondContact CE-OD1 3.49Å; K199-D223 IonicContact NZ-OD1 3.7Å; K199-D223 PolarHBondContact NZ-OD1 3.39Å; D223-N234 PolarHBondContact O-ND2 2.63Å
224G93.9Very high96.2Very high23 Ų2353.2 Ų53.224%0.23731%0.308CS..SBendtrans130.2161.5-175.700000113.2G198 K199 E200G198-G224 CarbonylContact C-O 3.37Å; G198-G224 VanDerWaalsContact C-O 3.3Å; G198-G224 WeakPolarHBondContact CA-O 3.5Å; K199-G224 PolarHBondContact N-O 2.95Å; E200-G224 PolarHBondContact N-O 3.29Å; E200-G224 VanDerWaalsContact N-O 3.15Å; E200-G224 VanDerWaalsContact OE2-CA 3.23Å; E200-G224 WeakPolarHBondContact OE2-CA 3.35Å; E200-G224 PolarHBondContact OE2-N 3.08Å
225S93.4Very high96.2Very high51 Ų5151.6 Ų51.636%0.35729%0.291SS..SBendtrans-80.6-159.1171.268.30000111.4F227 Y228S225-F227 PolarHBondContact O-N 3.31Å; S225-Y228 WeakPolarHBondContact O-CB 3.46Å; S225-Y228 WeakPolarHBondContact O-CD1 3.46Å; S225-Y228 PolarHBondContact O-N 3.35Å
226H94.6Very high96.2Very high15 Ų1557 Ų577%0.06931%0.308CS..THydrogen-bonded Turntrans-43.8-42.4-177.8-159.756.9000115.4H89 S90 G118 V148 D201 H204 Y228H89-H226 PolarHBondContact CE1-O 3.12Å; H89-H226 PolarHBondContact NE2-O 3.04Å; H89-H226 VanDerWaalsContact NE2-O 3.15Å; S90-H226 VanDerWaalsContact CB-NE2 3.29Å; S90-H226 WeakPolarHBondContact CB-NE2 3.39Å; S90-H226 PolarHBondContact OG-CE1 2.67Å; S90-H226 PolarHBondContact OG-NE2 3.32Å; G118-H226 PolarHBondContact O-CE1 3.13Å; G118-H226 VanDerWaalsContact O-CE1 3.28Å; V148-H226 HydrophobicContact CG1-CB 3.98Å; D201-H226 WeakPolarHBondContact OD1-CB 3.35Å; D201-H226 IonicContact OD1-CG 2.81Å; D201-H226 PolarHBondContact OD1-N 2.62Å; D201-H226 IonicContact OD1-ND1 2.74Å; D201-H226 PolarHBondContact OD1-ND1 2.93Å; D201-H226 WeakPolarHBondContact OD2-CA 3.36Å; D201-H226 IonicContact OD2-CE1 3.88Å; D201-H226 IonicContact OD2-CG 3.25Å; D201-H226 IonicContact OD2-ND1 3.42Å; D201-H226 PolarHBondContact OD2-ND1 3.29Å; H204-H226 AromaticContact CE1-ND1 3.97Å; H226-Y228 VanDerWaalsContact C-N 3.35Å; H226-Y228 PolarHBondContact O-N 3.33Å
227F94.2Very high96.2Very high29 Ų2955 Ų5513%0.12730%0.296CS..THydrogen-bonded Turntrans-97.231.9-177.8-69.2-86.6000113.7W23 V148 G149 G150 S225 L229 K230W23-F227 HydrophobicContact CB-CE1 4.49Å; W23-F227 AromaticContact CD1-CE1 3.7Å; W23-F227 AromaticContact CD1-CZ 3.99Å; W23-F227 AromaticContact CD2-CE1 3.78Å; W23-F227 HydrophobicContact CD2-CE1 3.78Å; W23-F227 AromaticContact CE2-CE1 3.81Å; W23-F227 HydrophobicContact CE3-CE1 4.39Å; W23-F227 AromaticContact CG-CE1 3.77Å; W23-F227 HydrophobicContact CG-CE1 3.77Å; W23-F227 HydrophobicContact CG-CZ 4.34Å; W23-F227 HydrophobicContact CZ2-CE1 4.48Å; W23-F227 AromaticContact NE1-CE1 3.74Å; V148-F227 HydrophobicContact CG1-CE2 4.41Å; G149-F227 WeakPolarHBondContact O-CE2 3.34Å; G150-F227 VanDerWaalsContact CA-CG 3.4Å; S225-F227 PolarHBondContact O-N 3.31Å; F227-L229 HydrophobicContact CD1-CD2 4.42Å; F227-L229 PolarHBondContact O-N 3.22Å; F227-L229 VanDerWaalsContact O-N 3.08Å; F227-K230 HydrophobicContact CB-CD 4.05Å; F227-K230 HydrophobicContact CB-CG 4.4Å; F227-K230 HydrophobicContact CD1-CD 3.91Å; F227-K230 HydrophobicContact CG-CD 4.33Å; F227-K230 WeakPolarHBondContact O-CB 3.45Å; F227-K230 PolarHBondContact O-N 3Å
228Y95.1Very high96.2Very high5 Ų553.6 Ų53.62%0.0229%0.29CS..G310 helixtrans-50.1-33.6176.766.7-92.7000112.9S117 F196 D197 F222 S225 H226 K230 D231 N234 L238S117-Y228 PolarHBondContact OG-OH 3.39Å; F196-Y228 HydrophobicContact CB-CE2 4.43Å; F196-Y228 WeakPolarHBondContact CB-OH 3.48Å; F196-Y228 PolarHBondContact O-OH 2.82Å; D197-Y228 VanDerWaalsContact C-CE1 3.47Å; D197-Y228 PolarHBondContact N-OH 2.94Å; F222-Y228 HydrophobicContact CB-CD2 3.48Å; F222-Y228 VanDerWaalsContact CB-CD2 3.48Å; F222-Y228 HydrophobicContact CB-CE2 4.06Å; F222-Y228 HydrophobicContact CB-CG 3.95Å; F222-Y228 HydrophobicContact CD1-CD2 4.43Å; F222-Y228 AromaticContact CD2-CD2 3.78Å; F222-Y228 HydrophobicContact CD2-CD2 3.78Å; F222-Y228 AromaticContact CD2-CE2 3.45Å; F222-Y228 HydrophobicContact CD2-CE2 3.45Å; F222-Y228 VanDerWaalsContact CD2-CE2 3.45Å; F222-Y228 HydrophobicContact CE2-CE2 4.03Å; F222-Y228 AromaticContact CG-CD2 3.66Å; F222-Y228 HydrophobicContact CG-CD2 3.66Å; F222-Y228 AromaticContact CG-CE2 3.85Å; F222-Y228 HydrophobicContact CG-CE2 3.85Å; S225-Y228 WeakPolarHBondContact O-CB 3.46Å; S225-Y228 WeakPolarHBondContact O-CD1 3.46Å; S225-Y228 PolarHBondContact O-N 3.35Å; H226-Y228 VanDerWaalsContact C-N 3.35Å; H226-Y228 PolarHBondContact O-N 3.33Å; Y228-K230 PolarHBondContact O-N 3.45Å; Y228-K230 VanDerWaalsContact O-N 3.17Å; Y228-D231 WeakPolarHBondContact O-CB 3.41Å; Y228-D231 PolarHBondContact O-N 3.03Å; Y228-D231 VanDerWaalsContact O-N 3.1Å; Y228-N234 VanDerWaalsContact O-CB 3.24Å; Y228-N234 WeakPolarHBondContact O-CB 3.24Å; Y228-N234 PolarHBondContact O-ND2 3.25Å; Y228-L238 HydrophobicContact CE2-CD1 4.41Å
229L94.8Very high96.2Very high1 Ų151 Ų511%0.00527%0.273CS..G310 helixtrans-64.9-15.4179.276166.1000114.3W23 Y31 F87 H89 F227 E235 L238W23-L229 HydrophobicContact CZ3-CD1 4.49Å; Y31-L229 HydrophobicContact CE1-CD1 4.3Å; F87-L229 HydrophobicContact CE1-CD1 4.46Å; F87-L229 HydrophobicContact CZ-CD1 4.33Å; H89-L229 HydrophobicContact CB-CD1 4.09Å; H89-L229 WeakPolarHBondContact NE2-CD2 3.16Å; F227-L229 HydrophobicContact CD1-CD2 4.42Å; F227-L229 PolarHBondContact O-N 3.22Å; F227-L229 VanDerWaalsContact O-N 3.08Å; L229-E235 WeakPolarHBondContact O-CB 3.47Å; L229-L238 HydrophobicContact CB-CD1 4.38Å
230K92.6Very high96.1Very high95 Ų9552.5 Ų52.541%0.41328%0.28SS..G310 helixtrans-84.9-13.3176.4-66.5-179.264.3-178.50112.7G150 F227 Y228G150-K230 PolarHBondContact O-NZ 3.21Å; F227-K230 HydrophobicContact CB-CD 4.05Å; F227-K230 HydrophobicContact CB-CG 4.4Å; F227-K230 HydrophobicContact CD1-CD 3.91Å; F227-K230 HydrophobicContact CG-CD 4.33Å; F227-K230 WeakPolarHBondContact O-CB 3.45Å; F227-K230 PolarHBondContact O-N 3Å; Y228-K230 PolarHBondContact O-N 3.45Å; Y228-K230 VanDerWaalsContact O-N 3.17Å
231D94.4Very high96Very high83 Ų8349.6 Ų49.644%0.44427%0.27SS..SBendtrans-68.9131.7168.3173.9-97.1000109.5Y228 G233 N234 E235Y228-D231 WeakPolarHBondContact O-CB 3.41Å; Y228-D231 PolarHBondContact O-N 3.03Å; Y228-D231 VanDerWaalsContact O-N 3.1Å; D231-G233 VanDerWaalsContact C-N 3.27Å; D231-G233 PolarHBondContact O-N 3.22Å; D231-G233 VanDerWaalsContact OD1-CA 3.31Å; D231-G233 WeakPolarHBondContact OD1-CA 3.4Å; D231-G233 PolarHBondContact OD1-N 3.38Å; D231-N234 HydrophobicContact CB-CB 4.12Å; D231-N234 PolarHBondContact O-N 2.92Å; D231-N234 PolarHBondContact OD1-N 3.22Å; D231-E235 WeakPolarHBondContact O-CB 3.38Å; D231-E235 PolarHBondContact O-N 2.98Å
232S94.3Very high96Very high94 Ų9445.4 Ų45.466%0.65725%0.249SC*.Hα-helixtrans-64.5-29.6-174.662.20000113.9K236S232-K236 WeakPolarHBondContact O-CB 3.26Å; S232-K236 PolarHBondContact O-N 3.16Å
233G97.2Very high95.8Very high34 Ų3445.8 Ų45.835%0.35125%0.253SS..Hα-helixtrans-72.2-47.3176.200000111D231 K236 I237D231-G233 VanDerWaalsContact C-N 3.27Å; D231-G233 PolarHBondContact O-N 3.22Å; D231-G233 VanDerWaalsContact OD1-CA 3.31Å; D231-G233 WeakPolarHBondContact OD1-CA 3.4Å; D231-G233 PolarHBondContact OD1-N 3.38Å; G233-K236 PolarHBondContact O-N 2.91Å; G233-I237 WeakPolarHBondContact O-CG1 3.42Å; G233-I237 PolarHBondContact O-N 2.71Å; G233-I237 VanDerWaalsContact O-N 3.11Å
234N97.5Very high95.7Very high18 Ų1847.9 Ų47.910%0.09626%0.257CS..Hα-helixtrans-62.1-45174.7-71.6-21.1000112.3F222 D223 Y228 D231 K236 I237 L238F222-N234 HydrophobicContact CD1-CB 3.93Å; F222-N234 WeakPolarHBondContact CD1-OD1 3.24Å; F222-N234 HydrophobicContact CE1-CB 4.42Å; D223-N234 PolarHBondContact O-ND2 2.63Å; Y228-N234 VanDerWaalsContact O-CB 3.24Å; Y228-N234 WeakPolarHBondContact O-CB 3.24Å; Y228-N234 PolarHBondContact O-ND2 3.25Å; D231-N234 HydrophobicContact CB-CB 4.12Å; D231-N234 PolarHBondContact O-N 2.92Å; D231-N234 PolarHBondContact OD1-N 3.22Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 2.78Å; N234-I237 PolarHBondContact O-N 2.75Å; N234-L238 VanDerWaalsContact O-CB 3.24Å; N234-L238 WeakPolarHBondContact O-CB 3.31Å; N234-L238 PolarHBondContact O-N 3.24Å
235E97.4Very high95.8Very high48 Ų4848 Ų4822%0.22425%0.253CS..Hα-helixtrans-57.4-45.4178.4-171.3176-135.200110.5H30 W34 L229 D231 L238 L239H30-E235 IonicContact CE1-OE1 2.68Å; H30-E235 PolarHBondContact CE1-OE1 3.01Å; H30-E235 IonicContact NE2-OE1 3.29Å; W34-E235 PolarHBondContact NE1-OE1 2.67Å; L229-E235 WeakPolarHBondContact O-CB 3.47Å; D231-E235 WeakPolarHBondContact O-CB 3.38Å; D231-E235 PolarHBondContact O-N 2.98Å; E235-L238 PolarHBondContact O-N 3.1Å; E235-L239 HydrophobicContact CG-CD1 4.02Å; E235-L239 HydrophobicContact CG-CG 4.4Å; E235-L239 WeakPolarHBondContact O-CB 3.14Å; E235-L239 VanDerWaalsContact O-CG 3.27Å; E235-L239 WeakPolarHBondContact O-CG 3.32Å; E235-L239 PolarHBondContact O-N 2.83Å
236K97.2Very high95.8Very high139 Ų13945.6 Ų45.660%0.60424%0.236SC*.Hα-helixtrans-60.2-49.3176.6-175.6-179.2177.4-174.90112.1S232 G233 N234 L238 L239 D240S232-K236 WeakPolarHBondContact O-CB 3.26Å; S232-K236 PolarHBondContact O-N 3.16Å; G233-K236 PolarHBondContact O-N 2.91Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 2.78Å; K236-L238 VanDerWaalsContact C-N 3.29Å; K236-L238 PolarHBondContact O-N 2.94Å; K236-L239 PolarHBondContact O-N 3.41Å; K236-D240 WeakPolarHBondContact O-CB 3.28Å; K236-D240 VanDerWaalsContact O-CG 3.27Å; K236-D240 PolarHBondContact O-N 3.03Å
237I97.9Very high95.6Very high85 Ų8548.9 Ų48.944%0.43625%0.252SS..Hα-helixtrans-62.2-39.6179.7-67.1165.7000111F222 G233 N234 F241F222-I237 HydrophobicContact CE1-CB 4.06Å; F222-I237 HydrophobicContact CE1-CG2 3.76Å; F222-I237 HydrophobicContact CZ-CG2 4.29Å; G233-I237 WeakPolarHBondContact O-CG1 3.42Å; G233-I237 PolarHBondContact O-N 2.71Å; G233-I237 VanDerWaalsContact O-N 3.11Å; N234-I237 PolarHBondContact O-N 2.75Å; I237-F241 WeakPolarHBondContact O-CB 3.49Å; I237-F241 PolarHBondContact O-N 2.94Å
238L98Very high95.3Very high1 Ų150 Ų501%0.00527%0.266CS..Hα-helixtrans-64.3-47.3177.4-179.6148.7000111.1W34 F87 F196 F222 Y228 L229 N234 E235 K236 F241 I242W34-L238 HydrophobicContact CH2-CD2 3.57Å; W34-L238 HydrophobicContact CZ2-CD2 4.01Å; W34-L238 HydrophobicContact CZ3-CD2 4.25Å; F87-L238 HydrophobicContact CE2-CD1 4.17Å; F87-L238 HydrophobicContact CE2-CD2 4.04Å; F87-L238 HydrophobicContact CZ-CD1 4.36Å; F196-L238 HydrophobicContact CD2-CD1 4.41Å; F222-L238 HydrophobicContact CE1-CB 4.47Å; F222-L238 HydrophobicContact CZ-CB 4.06Å; Y228-L238 HydrophobicContact CE2-CD1 4.41Å; L229-L238 HydrophobicContact CB-CD1 4.38Å; N234-L238 VanDerWaalsContact O-CB 3.24Å; N234-L238 WeakPolarHBondContact O-CB 3.31Å; N234-L238 PolarHBondContact O-N 3.24Å; E235-L238 PolarHBondContact O-N 3.1Å; K236-L238 VanDerWaalsContact C-N 3.29Å; K236-L238 PolarHBondContact O-N 2.94Å; L238-F241 WeakPolarHBondContact O-CB 3.24Å; L238-F241 PolarHBondContact O-N 3.16Å; L238-I242 HydrophobicContact CD2-CD1 3.5Å; L238-I242 HydrophobicContact CD2-CG1 4.41Å; L238-I242 HydrophobicContact CG-CD1 4.32Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 3.31Å
239L97.4Very high94.6Very high5 Ų550.5 Ų50.53%0.02627%0.271CS..Hα-helixtrans-67-38.8178.3-68.7176.8000112.5W34 V37 L38 E235 K236 F241 I242 T243W34-L239 HydrophobicContact CB-CD2 4.24Å; W34-L239 HydrophobicContact CD2-CD2 3.52Å; W34-L239 HydrophobicContact CE3-CD2 3.65Å; W34-L239 HydrophobicContact CG-CD1 4.36Å; W34-L239 HydrophobicContact CG-CD2 3.81Å; W34-L239 HydrophobicContact CH2-CD2 4.36Å; W34-L239 HydrophobicContact CZ2-CD2 4.27Å; W34-L239 HydrophobicContact CZ3-CD2 4.08Å; V37-L239 HydrophobicContact CB-CD1 4.16Å; V37-L239 HydrophobicContact CG1-CD1 3.75Å; L38-L239 HydrophobicContact CD1-CD2 4.45Å; L38-L239 HydrophobicContact CD2-CB 4.17Å; L38-L239 HydrophobicContact CD2-CD2 3.95Å; L38-L239 HydrophobicContact CG-CD2 4.24Å; E235-L239 HydrophobicContact CG-CD1 4.02Å; E235-L239 HydrophobicContact CG-CG 4.4Å; E235-L239 WeakPolarHBondContact O-CB 3.14Å; E235-L239 VanDerWaalsContact O-CG 3.27Å; E235-L239 WeakPolarHBondContact O-CG 3.32Å; E235-L239 PolarHBondContact O-N 2.83Å; K236-L239 PolarHBondContact O-N 3.41Å; L239-F241 VanDerWaalsContact C-N 3.28Å; L239-F241 PolarHBondContact O-N 3.43Å; L239-I242 PolarHBondContact O-N 3.27Å; L239-T243 WeakPolarHBondContact O-CB 3.22Å; L239-T243 PolarHBondContact O-N 3.25Å; L239-T243 PolarHBondContact O-OG1 3.08Å
240D96.5Very high93.6Very high79 Ų7952.1 Ų52.142%0.42228%0.279SS..Hα-helixtrans-61.3-39.4173.9-75.6-12.9000111K236 K244K236-D240 WeakPolarHBondContact O-CB 3.28Å; K236-D240 VanDerWaalsContact O-CG 3.27Å; K236-D240 PolarHBondContact O-N 3.03Å; D240-K244 WeakPolarHBondContact O-CG 3.39Å; D240-K244 PolarHBondContact O-N 3.05Å
241F96.9Very high92.3Very high39 Ų3955 Ų5517%0.17130%0.296CS..Hα-helixtrans-67.5-48.6175.7-178-86.7000111.8F115 T194 F196 I237 L238 L239 T243 K244 T245F115-F241 HydrophobicContact CE1-CD1 4.27Å; F115-F241 HydrophobicContact CE1-CE1 4.07Å; T194-F241 HydrophobicContact CG2-CE1 3.69Å; T194-F241 HydrophobicContact CG2-CZ 4.01Å; F196-F241 AromaticContact CE1-CD1 3.93Å; F196-F241 HydrophobicContact CE1-CD1 3.93Å; F196-F241 HydrophobicContact CE1-CE1 4.17Å; F196-F241 HydrophobicContact CE1-CG 4.49Å; F196-F241 AromaticContact CZ-CD1 3.61Å; F196-F241 HydrophobicContact CZ-CD1 3.61Å; F196-F241 AromaticContact CZ-CE1 3.9Å; F196-F241 HydrophobicContact CZ-CE1 3.9Å; F196-F241 HydrophobicContact CZ-CG 4.5Å; I237-F241 WeakPolarHBondContact O-CB 3.49Å; I237-F241 PolarHBondContact O-N 2.94Å; L238-F241 WeakPolarHBondContact O-CB 3.24Å; L238-F241 PolarHBondContact O-N 3.16Å; L239-F241 VanDerWaalsContact C-N 3.28Å; L239-F241 PolarHBondContact O-N 3.43Å; F241-T243 VanDerWaalsContact C-N 3.28Å; F241-T243 PolarHBondContact O-N 3.32Å; F241-K244 PolarHBondContact O-N 3.31Å; F241-T245 WeakPolarHBondContact CE1-OG1 3.35Å; F241-T245 WeakPolarHBondContact O-CB 3.48Å; F241-T245 PolarHBondContact O-N 3.32Å; F241-T245 PolarHBondContact O-OG1 2.91Å
242I97.1Very high90.7Very high0 Ų058.7 Ų58.70%031%0.31CS..Hα-helixtrans-56.4-47177.5-71.1173.7000109.9L18 W34 F87 F115 L238 L239 K244 T245 L246L18-I242 HydrophobicContact CD2-CG2 4.07Å; W34-I242 HydrophobicContact CZ3-CD1 4.12Å; F87-I242 HydrophobicContact CD2-CD1 3.73Å; F87-I242 HydrophobicContact CE2-CD1 4.12Å; F115-I242 HydrophobicContact CD1-CG1 4.03Å; F115-I242 HydrophobicContact CD2-CG1 4.31Å; F115-I242 HydrophobicContact CE1-CG1 3.93Å; F115-I242 HydrophobicContact CE2-CG1 4.21Å; F115-I242 HydrophobicContact CE2-CG2 3.99Å; F115-I242 HydrophobicContact CG-CG1 4.22Å; F115-I242 HydrophobicContact CZ-CB 4.27Å; F115-I242 HydrophobicContact CZ-CG1 4.02Å; F115-I242 HydrophobicContact CZ-CG2 4.11Å; L238-I242 HydrophobicContact CD2-CD1 3.5Å; L238-I242 HydrophobicContact CD2-CG1 4.41Å; L238-I242 HydrophobicContact CG-CD1 4.32Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 3.31Å; L239-I242 PolarHBondContact O-N 3.27Å; I242-K244 PolarHBondContact O-N 3.16Å; I242-T245 PolarHBondContact O-N 3.35Å; I242-L246 HydrophobicContact CG2-CD1 3.82Å; I242-L246 HydrophobicContact CG2-CG 4.25Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 3Å
243T94.9Very high88.9Confident20 Ų2061.2 Ų61.212%0.12331%0.306CS..Hα-helixtrans-56.1-53.5-179.9-570000111.5L38 N39 L239 F241 T245 L246 E247L38-T243 WeakPolarHBondContact CD2-OG1 3.23Å; N39-T243 VanDerWaalsContact ND2-CG2 3.28Å; N39-T243 WeakPolarHBondContact ND2-CG2 3.36Å; L239-T243 WeakPolarHBondContact O-CB 3.22Å; L239-T243 PolarHBondContact O-N 3.25Å; L239-T243 PolarHBondContact O-OG1 3.08Å; F241-T243 VanDerWaalsContact C-N 3.28Å; F241-T243 PolarHBondContact O-N 3.32Å; T243-T245 VanDerWaalsContact C-N 3.3Å; T243-T245 PolarHBondContact O-N 3.16Å; T243-L246 PolarHBondContact O-N 3.4Å; T243-E247 HydrophobicContact CG2-CG 4.45Å; T243-E247 WeakPolarHBondContact O-CG 3.36Å; T243-E247 PolarHBondContact O-N 3.4Å
244K94.5Very high86.6Confident142 Ų14269.6 Ų69.662%0.61734%0.342SS*.Hα-helixtrans-61.8-38.3-179.6-71.8174.7-177.5178.50112.8D240 F241 I242 A248D240-K244 WeakPolarHBondContact O-CG 3.39Å; D240-K244 PolarHBondContact O-N 3.05Å; F241-K244 PolarHBondContact O-N 3.31Å; I242-K244 PolarHBondContact O-N 3.16Å; K244-A248 WeakPolarHBondContact O-CB 3.34Å; K244-A248 PolarHBondContact O-N 3.21Å
245T95.4Very high86.1Confident24 Ų2472.2 Ų72.215%0.14735%0.354CS..Hα-helixtrans-65.5-43.4178.4-650000111.2H113 F115 F241 I242 T243 A248 A249H113-T245 WeakPolarHBondContact CE1-CG2 3.25Å; H113-T245 WeakPolarHBondContact ND1-CG2 3.5Å; F115-T245 HydrophobicContact CE1-CG2 3.99Å; F115-T245 HydrophobicContact CZ-CG2 3.73Å; F241-T245 WeakPolarHBondContact CE1-OG1 3.35Å; F241-T245 WeakPolarHBondContact O-CB 3.48Å; F241-T245 PolarHBondContact O-N 3.32Å; F241-T245 PolarHBondContact O-OG1 2.91Å; I242-T245 PolarHBondContact O-N 3.35Å; T243-T245 VanDerWaalsContact C-N 3.3Å; T243-T245 PolarHBondContact O-N 3.16Å; T245-A248 PolarHBondContact O-N 2.64Å; T245-A249 WeakPolarHBondContact O-CB 3.49Å; T245-A249 PolarHBondContact O-N 3.12Å
246L94.1Very high85.5Confident1 Ų173.5 Ų73.51%0.00536%0.361CS..Hα-helixtrans-69.5-40.7178.3-63-179.1000112T16 V42 A85 I112 H113 F115 I242 T243 A248 A249 E250T16-L246 HydrophobicContact CG2-CD1 4.22Å; T16-L246 HydrophobicContact CG2-CD2 4.27Å; V42-L246 HydrophobicContact CG1-CD1 4.29Å; V42-L246 HydrophobicContact CG2-CD1 3.91Å; A85-L246 HydrophobicContact CB-CD2 3.48Å; A85-L246 VanDerWaalsContact CB-CD2 3.48Å; I112-L246 HydrophobicContact CD1-CD2 4.18Å; I112-L246 HydrophobicContact CG1-CD2 4.4Å; H113-L246 HydrophobicContact CB-CD2 4.37Å; F115-L246 HydrophobicContact CE2-CD2 4.09Å; F115-L246 HydrophobicContact CE2-CG 4.48Å; F115-L246 HydrophobicContact CZ-CD2 4.34Å; I242-L246 HydrophobicContact CG2-CD1 3.82Å; I242-L246 HydrophobicContact CG2-CG 4.25Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 3Å; T243-L246 PolarHBondContact O-N 3.4Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; L246-A249 PolarHBondContact O-N 3.38Å; L246-E250 WeakPolarHBondContact O-CG 3.46Å; L246-E250 PolarHBondContact O-N 3.31Å
247E90.1Very high84.8Confident85 Ų8569.8 Ų69.840%0.39735%0.348SS..Hα-helixtrans-60.1-39.2173.7-72.5172.3169.500112.1N39 T243N39-E247 PolarHBondContact ND2-OE1 3.15Å; T243-E247 HydrophobicContact CG2-CG 4.45Å; T243-E247 WeakPolarHBondContact O-CG 3.36Å; T243-E247 PolarHBondContact O-N 3.4Å
248A87.4Confident84.1Confident52 Ų5268.9 Ų68.943%0.4334%0.342SS..Hα-helixtrans-69.2-40.6176.200000112.2K244 T245 L246 E250 M251 H252K244-A248 WeakPolarHBondContact O-CB 3.34Å; K244-A248 PolarHBondContact O-N 3.21Å; T245-A248 PolarHBondContact O-N 2.64Å; L246-A248 VanDerWaalsContact C-N 3.3Å; L246-A248 PolarHBondContact O-N 2.84Å; A248-E250 VanDerWaalsContact C-N 3.35Å; A248-M251 PolarHBondContact O-N 3.1Å; A248-H252 PolarHBondContact O-CD2 3.29Å; A248-H252 VanDerWaalsContact O-CD2 3.27Å
249A82.1Confident83.2Confident15 Ų1573.2 Ų73.212%0.12436%0.363CS..Hα-helixtrans-65-37.7177.300000112I112 T245 L246 M251 H252 Y253I112-A249 HydrophobicContact CD1-CB 4Å; T245-A249 WeakPolarHBondContact O-CB 3.49Å; T245-A249 PolarHBondContact O-N 3.12Å; L246-A249 PolarHBondContact O-N 3.38Å; A249-M251 VanDerWaalsContact C-N 3.25Å; A249-M251 PolarHBondContact O-N 3.07Å; A249-H252 PolarHBondContact O-N 2.72Å; A249-Y253 WeakPolarHBondContact O-CD2 3.28Å; A249-Y253 PolarHBondContact O-N 2.68Å
250E72Confident82.2Confident36 Ų3677.7 Ų77.717%0.16839%0.386CS..Hα-helixtrans-55.6-38.5175.6-77.2167.7-163.400112.7V15 T16 L246 A248 H252 Y253 L254V15-E250 HydrophobicContact CG2-CG 4.19Å; V15-E250 VanDerWaalsContact CG2-OE1 3.23Å; V15-E250 WeakPolarHBondContact CG2-OE1 3.43Å; V15-E250 VanDerWaalsContact CG2-OE2 3.32Å; V15-E250 WeakPolarHBondContact CG2-OE2 3.36Å; T16-E250 WeakPolarHBondContact CB-OE1 3.21Å; T16-E250 WeakPolarHBondContact OG1-CG 3.38Å; T16-E250 PolarHBondContact OG1-OE1 3.27Å; L246-E250 WeakPolarHBondContact O-CG 3.46Å; L246-E250 PolarHBondContact O-N 3.31Å; A248-E250 VanDerWaalsContact C-N 3.35Å; E250-H252 PolarHBondContact O-N 2.54Å; E250-Y253 PolarHBondContact O-N 3.05Å; E250-Y253 VanDerWaalsContact O-N 3.17Å; E250-L254 PolarHBondContact O-N 3.16Å
251M66.3Low81.2Confident154 Ų15477.6 Ų77.676%0.75938%0.383SS*.Hα-helixtrans-66.5-17.2178-65.2-132.2-58.400114.1A248 A249A248-M251 PolarHBondContact O-N 3.1Å; A249-M251 VanDerWaalsContact C-N 3.25Å; A249-M251 PolarHBondContact O-N 3.07Å
252H61.7Low80Confident162 Ų16280.6 Ų80.675%0.7540%0.4SS*.Hα-helixtrans-93.1-14.3177-69.7-70.2000113.3A248 A249 E250A248-H252 PolarHBondContact O-CD2 3.29Å; A248-H252 VanDerWaalsContact O-CD2 3.27Å; A249-H252 PolarHBondContact O-N 2.72Å; E250-H252 PolarHBondContact O-N 2.54Å
253Y55.9Low78.6Confident147 Ų14787.3 Ų87.358%0.57643%0.433SS*.Hα-helixtrans-102.2-10.4-178.1-86-83.9000114.1I112 A249 E250I112-Y253 HydrophobicContact CB-CD2 4.45Å; I112-Y253 HydrophobicContact CB-CE2 3.74Å; I112-Y253 HydrophobicContact CG2-CD2 3.96Å; I112-Y253 HydrophobicContact CG2-CE1 4.15Å; I112-Y253 HydrophobicContact CG2-CE2 3.34Å; I112-Y253 VanDerWaalsContact CG2-CZ 3.45Å; A249-Y253 WeakPolarHBondContact O-CD2 3.28Å; A249-Y253 PolarHBondContact O-N 2.68Å; E250-Y253 PolarHBondContact O-N 3.05Å; E250-Y253 VanDerWaalsContact O-N 3.17Å
254L48.8Very low77.1Confident210 Ų21093.5 Ų93.5100%1.09946%0.461SS*.  trans-93.90170.5-70.2170.3000111E250E250-L254 PolarHBondContact O-N 3.16Å

Retrieved 254 of 254 residues in 168.9 ms (Link to these results)

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