A0A077ZL63_TRITR Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB , UniProt , Accession A0A077ZL63, Species TRITR (Trichuris trichiura, Whipworm), 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
1M95.8Very high98.2Very high50 Ų5074.6 Ų74.625%0.24638%0.382CS..  0162.3070.4-72.2-16900110.7L3 R51 P57 E59 D70 D73M1-L3 PolarHBondContact O-N 2.98Å; M1-R51 HydrophobicContact CE-CB 3.29Å; M1-R51 HydrophobicContact CE-CG 4.41Å; M1-R51 PolarHBondContact SD-NH2 3.17Å; M1-R51 VanDerWaalsContact SD-NH2 3.44Å; M1-P57 HydrophobicContact CE-CB 4.23Å; M1-P57 HydrophobicContact CG-CG 4.39Å; M1-E59 HydrophobicContact CE-CB 4.37Å; M1-E59 HydrophobicContact CE-CG 3.58Å; M1-E59 HydrophobicContact SD-CG 4.25Å; M1-D70 PolarHBondContact N-OD1 2.85Å; M1-D70 WeakPolarHBondContact O-CA 3.39Å; M1-D70 WeakPolarHBondContact O-CB 3.32Å; M1-D73 WeakPolarHBondContact CA-OD2 3.43Å; M1-D73 PolarHBondContact N-OD2 2.96Å
2K98.2Very high98.1Very high139 Ų13975.7 Ų75.760%0.60439%0.389SS*.PPolyproline II helixtrans-62.9130.2174.1-166.8-17783.1178.20111.6A77K2-A77 HydrophobicContact CD-CB 3.49Å; K2-A77 VanDerWaalsContact CD-CB 3.49Å; K2-A77 HydrophobicContact CG-CB 3.89Å
3L98.8Very high97.7Very high4 Ų480.9 Ų80.92%0.02141%0.41CS..PPolyproline II helixtrans-85.2160.1175.8-60.7178.4000112.2M1 V48 M50 R51 D70 L71 T74M1-L3 PolarHBondContact O-N 2.98Å; L3-V48 HydrophobicContact CB-CB 4.46Å; L3-V48 HydrophobicContact CD1-CB 3.94Å; L3-V48 HydrophobicContact CD1-CG1 4.47Å; L3-V48 HydrophobicContact CD1-CG2 4.04Å; L3-M50 HydrophobicContact CD1-SD 4.11Å; L3-R51 HydrophobicContact CD2-CB 4.45Å; L3-D70 HydrophobicContact CD1-CB 3.96Å; L3-D70 HydrophobicContact CD2-CB 3.75Å; L3-D70 HydrophobicContact CG-CB 3.82Å; L3-L71 HydrophobicContact CD1-CD2 4.19Å; L3-T74 PolarHBondContact N-OG1 2.72Å
4N98.8Very high97.4Very high52 Ų5283.1 Ų83.128%0.27842%0.418SS..PPolyproline II helixtrans-68.8137.1160.4176.864.1000109.4L29 D49 L55 S56N4-L29 WeakPolarHBondContact ND2-CD2 3.16Å; N4-D49 HydrophobicContact CB-CB 4.23Å; N4-D49 PolarHBondContact ND2-OD2 2.96Å; N4-D49 PolarHBondContact O-N 2.85Å; N4-L55 HydrophobicContact CB-CB 4.24Å; N4-S56 PolarHBondContact N-OG 2.88Å
5I98.8Very high97.2Very high49 Ų4988.3 Ų88.325%0.25145%0.447SS..EExtended strand (participates in β ladder)trans-136.4160.9-175.270.2169.3000112.4A7 I46 Q47 V48 T74 L78I5-A7 HydrophobicContact CD1-CB 4.35Å; I5-I46 HydrophobicContact CB-CG2 4.17Å; I5-I46 HydrophobicContact CD1-CG2 4.35Å; I5-I46 HydrophobicContact CG2-CG2 4.14Å; I5-Q47 CarbonylContact C-O 3.58Å; I5-Q47 WeakPolarHBondContact CA-O 3.29Å; I5-V48 HydrophobicContact CG2-CB 4.48Å; I5-V48 HydrophobicContact CG2-CG1 3.92Å; I5-T74 HydrophobicContact CG2-CG2 3.64Å; I5-L78 HydrophobicContact CD1-CD1 3.72Å; I5-L78 HydrophobicContact CD1-CD2 3.49Å; I5-L78 VanDerWaalsContact CD1-CD2 3.49Å; I5-L78 HydrophobicContact CD1-CG 4.09Å
6R98.7Very high97.2Very high111 Ų11187.3 Ų87.342%0.41944%0.444SS..EExtended strand (participates in β ladder)trans-121.8116.9157-172.7-178-56.6137.5-1.3108.9L29 D30 Q47R6-L29 HydrophobicContact CB-CD1 4.06Å; R6-L29 HydrophobicContact CB-CD2 4.43Å; R6-L29 VanDerWaalsContact NH2-CD1 3.25Å; R6-D30 IonicContact CZ-OD1 3.15Å; R6-D30 IonicContact NH1-OD1 2.65Å; R6-D30 PolarHBondContact NH1-OD1 2.76Å; R6-D30 IonicContact NH2-OD1 2.75Å; R6-D30 PolarHBondContact NH2-OD1 2.67Å; R6-D30 IonicContact NH2-OD2 3.92Å; R6-Q47 HydrophobicContact CB-CB 4.37Å; R6-Q47 PolarHBondContact N-O 2.83Å; R6-Q47 PolarHBondContact O-N 3.48Å
7A98.5Very high97.2Very high65 Ų6584 Ų8454%0.53743%0.43SS..EExtended strand (participates in β ladder)trans-102.5140.317700000110.9I5 I45I5-A7 HydrophobicContact CD1-CB 4.35Å; A7-I45 CarbonylContact C-O 3.47Å; A7-I45 VanDerWaalsContact CA-O 3.29Å; A7-I45 WeakPolarHBondContact CA-O 3.31Å
8Q98.5Very high97.3Very high105 Ų10580.5 Ų80.549%0.49141%0.414SS..EExtended strand (participates in β ladder)trans-139.8126.8174.9-158.9172.643.900110.1V40 I45Q8-V40 HydrophobicContact CB-CG2 4.05Å; Q8-V40 HydrophobicContact CG-CG2 3.83Å; Q8-I45 PolarHBondContact N-O 3.05Å; Q8-I45 PolarHBondContact O-N 3.27Å
9T98.3Very high97.4Very high103 Ų10376.3 Ų76.363%0.63239%0.392SS*.  trans-71144177.4-51.60000110.6V40 N44T9-V40 WeakPolarHBondContact O-CG2 3.48Å; T9-N44 WeakPolarHBondContact CA-OD1 3.32Å
10A98.2Very high97.5Very high14 Ų1472.7 Ų72.712%0.11637%0.374CS..  trans-54.3137.8176.100000111.5N12 V40 H43 N44A10-N12 VanDerWaalsContact C-N 3.3Å; A10-N12 WeakPolarHBondContact CB-O 3.21Å; A10-V40 CarbonylContact C-O 3.58Å; A10-V40 VanDerWaalsContact CA-O 3.31Å; A10-V40 WeakPolarHBondContact CA-O 3.42Å; A10-H43 WeakPolarHBondContact CA-O 3.42Å; A10-H43 VanDerWaalsContact CB-C 3.47Å; A10-N44 PolarHBondContact N-OD1 3.32Å
11Q97.9Very high97.5Very high129 Ų12969.3 Ų69.360%0.60336%0.357SS*.SBendtrans-70.4-30.5176.4-57-171.4133.200111.6V40 N41Q11-V40 HydrophobicContact CG-CG1 4.4Å; Q11-V40 PolarHBondContact N-O 3.36Å; Q11-N41 PolarHBondContact NE2-OD1 3.2Å
12N97.1Very high97.7Very high87 Ų8767 Ų6747%0.46535%0.345SS..SBendtrans-128.6136.3172.9-53-80.6000109.5A10 H14 N41A10-N12 VanDerWaalsContact C-N 3.3Å; A10-N12 WeakPolarHBondContact CB-O 3.21Å; N12-H14 PolarHBondContact O-CD2 3.46Å; N12-H14 PolarHBondContact O-N 3.05Å; N12-N41 WeakPolarHBondContact CB-O 3.46Å; N12-N41 PolarHBondContact N-O 3.46Å; N12-N41 PolarHBondContact ND2-O 3.48Å
13Q92.8Very high97.7Very high144 Ų14460.4 Ų60.467%0.67332%0.317SS*.  trans-80.7116177.8-76.4-65.4-36.600110.6
14H93.2Very high97.7Very high111 Ų11160.3 Ų60.351%0.51432%0.317SS..  trans-120.75.2179.5-76.9-87.9000113.9N12 N16 D42N12-H14 PolarHBondContact O-CD2 3.46Å; N12-H14 PolarHBondContact O-N 3.05Å; H14-N16 VanDerWaalsContact CB-ND2 3.34Å; H14-N16 WeakPolarHBondContact CB-ND2 3.23Å; H14-N16 PolarHBondContact O-N 3.29Å; H14-D42 HydrophobicContact CB-CB 4.35Å
15N94Very high97.7Very high161 Ų16158.4 Ų58.486%0.86131%0.307SS*.  trans55.629.3-175.6-161.338.1000113.9
16N97.4Very high97.7Very high73 Ų7356.2 Ų56.239%0.3930%0.295SS..PPolyproline II helixtrans-81.8149.8172.4-63.2-38.6000110.4H14 D42 H43H14-N16 VanDerWaalsContact CB-ND2 3.34Å; H14-N16 WeakPolarHBondContact CB-ND2 3.23Å; H14-N16 PolarHBondContact O-N 3.29Å; N16-D42 PolarHBondContact ND2-O 3.47Å; N16-H43 WeakPolarHBondContact CB-CD2 3.21Å; N16-H43 WeakPolarHBondContact CB-NE2 3.32Å; N16-H43 PolarHBondContact ND2-CE1 3.01Å; N16-H43 PolarHBondContact ND2-NE2 3.28Å
17S97.9Very high97.6Very high31 Ų3150.9 Ų50.922%0.21728%0.275CS..PPolyproline II helixtrans-58.5144.4168.8-74.20000111.1H43 D107S17-H43 PolarHBondContact O-CD2 3.43Å; S17-D107 WeakPolarHBondContact CB-OD2 3.38Å; S17-D107 PolarHBondContact OG-OD2 2.99Å
18P98.7Very high97.6Very high21 Ų2148.3 Ų48.314%0.13625%0.253CS..PPolyproline II helixtrans-59.6153.4174.325.9-33.9000111.1N44 I46 I80 A83 T84P18-N44 CarbonylContact C-O 3.55Å; P18-N44 VanDerWaalsContact CA-O 3.31Å; P18-N44 WeakPolarHBondContact CA-O 3.42Å; P18-N44 HydrophobicContact CB-CB 4.02Å; P18-I46 HydrophobicContact CB-CD1 3.73Å; P18-I80 HydrophobicContact CB-CD1 4.49Å; P18-I80 HydrophobicContact CG-CD1 4.2Å; P18-I80 HydrophobicContact CG-CG2 3.63Å; P18-A83 HydrophobicContact CG-CB 4Å; P18-A83 CarbonylContact O-C 3.57Å; P18-A83 WeakPolarHBondContact O-CA 2.98Å; P18-A83 WeakPolarHBondContact O-CB 3.3Å; P18-T84 PolarHBondContact O-N 3.31Å
19I98.9Very high97.6Very high0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-108.3124.9176.7-63.8176.6000110.1L21 L39 H43 N44 I45 I46 T84 I86 L252I19-L21 HydrophobicContact CG2-CD2 3.59Å; I19-L21 HydrophobicContact CG2-CG 4.16Å; I19-L39 HydrophobicContact CD1-CB 4.18Å; I19-L39 HydrophobicContact CD1-CD1 4.06Å; I19-L39 HydrophobicContact CD1-CD2 4.1Å; I19-L39 HydrophobicContact CD1-CG 4.34Å; I19-L39 HydrophobicContact CG2-CD1 4.45Å; I19-H43 HydrophobicContact CD1-CB 3.85Å; I19-H43 VanDerWaalsContact CD1-CD2 3.48Å; I19-H43 WeakPolarHBondContact CD1-CD2 3.41Å; I19-H43 VanDerWaalsContact CD1-CG 3.5Å; I19-H43 HydrophobicContact CG1-CB 4.01Å; I19-N44 PolarHBondContact N-O 3.04Å; I19-I45 HydrophobicContact CB-CD1 3.85Å; I19-I45 HydrophobicContact CD1-CD1 4.44Å; I19-I45 HydrophobicContact CG2-CD1 4.44Å; I19-I45 WeakPolarHBondContact O-CA 3.38Å; I19-I46 PolarHBondContact O-N 2.98Å; I19-T84 CarbonylContact C-O 3.53Å; I19-T84 VanDerWaalsContact CA-O 3.31Å; I19-T84 WeakPolarHBondContact CA-O 3.35Å; I19-T84 HydrophobicContact CG1-CG2 4.02Å; I19-I86 HydrophobicContact CG2-CD1 3.79Å; I19-I86 HydrophobicContact CG2-CG1 3.96Å; I19-L252 HydrophobicContact CD1-CD1 3.94Å
20V98.9Very high97.6Very high4 Ų442.4 Ų42.42%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-98.5122.9170.4-1730000109.8V22 I46 V48 L75 A83 T84 F85 I86V20-V22 HydrophobicContact CG1-CG2 4.08Å; V20-I46 CarbonylContact C-O 3.46Å; V20-I46 VanDerWaalsContact CA-O 3.29Å; V20-I46 WeakPolarHBondContact CA-O 3.33Å; V20-I46 HydrophobicContact CG2-CB 4.26Å; V20-I46 HydrophobicContact CG2-CD1 4.46Å; V20-V48 HydrophobicContact CG1-CG1 3.85Å; V20-L75 HydrophobicContact CG2-CD2 3.93Å; V20-A83 HydrophobicContact CG2-CB 3.9Å; V20-T84 PolarHBondContact N-O 3.09Å; V20-F85 HydrophobicContact CB-CD1 3.65Å; V20-F85 HydrophobicContact CB-CE1 3.68Å; V20-F85 HydrophobicContact CB-CG 4.39Å; V20-F85 HydrophobicContact CB-CZ 4.45Å; V20-F85 HydrophobicContact CG1-CD1 4Å; V20-F85 HydrophobicContact CG1-CE1 3.86Å; V20-F85 HydrophobicContact CG2-CD1 4.25Å; V20-F85 HydrophobicContact CG2-CE1 3.85Å; V20-F85 HydrophobicContact CG2-CZ 4.17Å; V20-I86 PolarHBondContact O-N 3.07Å
21L98.9Very high97.5Very high3 Ų342.5 Ų42.52%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-104.1122.5-180-58.8-180000110.4I19 L32 A36 L39 I45 I46 Q47 V48 I86I19-L21 HydrophobicContact CG2-CD2 3.59Å; I19-L21 HydrophobicContact CG2-CG 4.16Å; L21-L32 HydrophobicContact CB-CB 4.04Å; L21-L32 HydrophobicContact CB-CD2 4.12Å; L21-L32 HydrophobicContact CD1-CB 4.26Å; L21-L32 HydrophobicContact CD2-CD2 4.38Å; L21-A36 HydrophobicContact CD1-CB 3.49Å; L21-A36 VanDerWaalsContact CD1-CB 3.49Å; L21-L39 HydrophobicContact CD2-CD1 4.36Å; L21-I45 HydrophobicContact CD1-CG2 3.85Å; L21-I45 HydrophobicContact CG-CG2 4.31Å; L21-I46 PolarHBondContact N-O 3.11Å; L21-Q47 HydrophobicContact CB-CG 4.33Å; L21-Q47 HydrophobicContact CD1-CG 4.03Å; L21-V48 PolarHBondContact O-N 3.41Å; L21-I86 WeakPolarHBondContact CA-O 3.35Å; L21-I86 HydrophobicContact CD2-CB 3.69Å; L21-I86 HydrophobicContact CD2-CD1 3.96Å; L21-I86 HydrophobicContact CD2-CG1 4.12Å; L21-I86 HydrophobicContact CD2-CG2 4.24Å
22V98.9Very high97.5Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-122.6116.5-169.7-164.70000111V20 V48 M50 L71 F85 I86 G87 H88 V95V20-V22 HydrophobicContact CG1-CG2 4.08Å; V22-V48 HydrophobicContact CB-CG2 4.4Å; V22-V48 HydrophobicContact CG1-CG2 4.14Å; V22-V48 HydrophobicContact CG2-CG2 4.15Å; V22-M50 HydrophobicContact CG1-CE 4.24Å; V22-M50 HydrophobicContact CG1-CG 3.89Å; V22-M50 HydrophobicContact CG1-SD 3.29Å; V22-M50 WeakPolarHBondContact CG1-SD 3.23Å; V22-L71 HydrophobicContact CG2-CD2 4.11Å; V22-F85 HydrophobicContact CG2-CD1 4.42Å; V22-I86 PolarHBondContact N-O 3.17Å; V22-G87 WeakPolarHBondContact O-CA 3.33Å; V22-H88 PolarHBondContact O-N 3.01Å; V22-V95 HydrophobicContact CB-CG2 4.13Å; V22-V95 HydrophobicContact CG2-CG2 3.69Å
23H98.8Very high97.5Very high1 Ų132.6 Ų32.61%0.00517%0.172CC..  trans-82.3164.3-173.371.776.1000114.2G27 S28 N31 L32 V48 M50 H53 G91H23-G27 PolarHBondContact CE1-O 3.33Å; H23-G27 VanDerWaalsContact CE1-O 3.32Å; H23-S28 WeakPolarHBondContact CB-O 3.48Å; H23-S28 PolarHBondContact CD2-O 2.92Å; H23-N31 HydrophobicContact CB-CB 4.19Å; H23-L32 HydrophobicContact CB-CD1 3.98Å; H23-V48 PolarHBondContact CD2-O 3.41Å; H23-V48 VanDerWaalsContact CD2-O 3.24Å; H23-M50 PolarHBondContact NE2-N 2.89Å; H23-H53 VanDerWaalsContact CE1-CB 3.47Å; H23-H53 WeakPolarHBondContact CE1-CB 3.21Å; H23-H53 AromaticContact CE1-CD2 3.68Å; H23-H53 AromaticContact CE1-CG 3.54Å; H23-G91 VanDerWaalsContact O-CA 3.24Å; H23-G91 WeakPolarHBondContact O-CA 3.38Å; H23-G91 PolarHBondContact O-N 3.2Å
24G98.5Very high97.8Very high3 Ų327.5 Ų27.53%0.03115%0.151CC..  trans-82.4179.6175.500000114.8G27 H88G24-G27 PolarHBondContact O-N 2.98Å; G24-G27 VanDerWaalsContact O-N 3.13Å; G24-H88 VanDerWaalsContact CA-O 3.28Å; G24-H88 WeakPolarHBondContact CA-O 3.19Å; G24-H88 PolarHBondContact N-O 3.42Å
25L98.5Very high98Very high12 Ų1222.2 Ų22.26%0.06313%0.127CC..THydrogen-bonded Turntrans-54.2140178.4-178.162.3000111.8G27 M90 F161 L178 Y182 I185L25-G27 PolarHBondContact O-N 2.81Å; L25-M90 HydrophobicContact CB-CB 4.39Å; L25-M90 HydrophobicContact CB-SD 4.35Å; L25-M90 HydrophobicContact CD1-SD 4.24Å; L25-F161 WeakPolarHBondContact O-CZ 3.4Å; L25-L178 HydrophobicContact CD1-CD1 3.92Å; L25-L178 HydrophobicContact CD1-CD2 4.03Å; L25-L178 HydrophobicContact CD1-CG 4.4Å; L25-Y182 HydrophobicContact CD2-CD2 4.38Å; L25-Y182 HydrophobicContact CD2-CE2 4.04Å; L25-I185 HydrophobicContact CD1-CD1 4.03Å; L25-I185 HydrophobicContact CD1-CG2 4.11Å; L25-I185 HydrophobicContact CD2-CG2 4.09Å; L25-I185 HydrophobicContact CG-CG2 4.46Å
26F98.3Very high98.2Very high2 Ų214.7 Ų14.71%0.0099%0.087CC..THydrogen-bonded Turntrans64-2-175.8-51-59.3000116H53 H124 I127 F128 I131 F161 L162 S165 F173 L178F26-H53 PolarHBondContact N-CD2 3.47Å; F26-H53 PolarHBondContact N-NE2 2.88Å; F26-H124 HydrophobicContact CE2-CB 4.22Å; F26-H124 AromaticContact CE2-CD2 3.66Å; F26-I127 HydrophobicContact CD2-CG2 3.95Å; F26-I127 HydrophobicContact CE2-CG2 3.57Å; F26-I127 HydrophobicContact CZ-CG2 4.08Å; F26-F128 HydrophobicContact CE1-CD1 4.47Å; F26-F128 AromaticContact CE1-CE1 3.89Å; F26-F128 HydrophobicContact CE1-CE1 3.89Å; F26-F128 HydrophobicContact CE1-CZ 4.12Å; F26-F128 HydrophobicContact CZ-CD1 4.21Å; F26-F128 HydrophobicContact CZ-CD2 4.44Å; F26-F128 AromaticContact CZ-CE1 3.75Å; F26-F128 HydrophobicContact CZ-CE1 3.75Å; F26-F128 HydrophobicContact CZ-CE2 4Å; F26-F128 AromaticContact CZ-CZ 3.63Å; F26-F128 HydrophobicContact CZ-CZ 3.63Å; F26-I131 HydrophobicContact CD1-CD1 3.97Å; F26-I131 HydrophobicContact CE1-CD1 3.8Å; F26-I131 HydrophobicContact CG-CD1 4.47Å; F26-I131 HydrophobicContact CZ-CD1 4.15Å; F26-F161 HydrophobicContact CB-CE1 4.06Å; F26-F161 HydrophobicContact CB-CZ 4.49Å; F26-L162 HydrophobicContact CB-CD2 3.41Å; F26-L162 VanDerWaalsContact CB-CD2 3.41Å; F26-L162 HydrophobicContact CD2-CD2 3.9Å; F26-L162 HydrophobicContact CG-CD2 3.78Å; F26-S165 PolarHBondContact O-OG 2.92Å; F26-F173 HydrophobicContact CB-CD1 4.03Å; F26-F173 HydrophobicContact CB-CE1 3.87Å; F26-F173 HydrophobicContact CD1-CD1 4.17Å; F26-F173 HydrophobicContact CD1-CD2 4.1Å; F26-F173 HydrophobicContact CD1-CE1 4.14Å; F26-F173 HydrophobicContact CD1-CE2 4.1Å; F26-F173 HydrophobicContact CD1-CG 4.15Å; F26-F173 HydrophobicContact CD1-CZ 4.11Å; F26-F173 HydrophobicContact CG-CE1 4.44Å; F26-F173 WeakPolarHBondContact O-CD1 3.47Å; F26-L178 HydrophobicContact CD1-CD1 3.79Å; F26-L178 HydrophobicContact CE1-CB 4.48Å; F26-L178 HydrophobicContact CE1-CD1 3.79Å
27G97.9Very high98.3Very high0 Ų019.2 Ų19.20%010%0.098CC..  trans-77.4-173.5176.800000113.7H23 G24 L25 N31 H53H23-G27 PolarHBondContact CE1-O 3.33Å; H23-G27 VanDerWaalsContact CE1-O 3.32Å; G24-G27 PolarHBondContact O-N 2.98Å; G24-G27 VanDerWaalsContact O-N 3.13Å; L25-G27 PolarHBondContact O-N 2.81Å; G27-N31 WeakPolarHBondContact CA-OD1 3.4Å; G27-H53 PolarHBondContact O-CD2 3.41Å
28S98.5Very high98.3Very high10 Ų1020.1 Ų20.17%0.0710%0.101CC..  trans-142.8174.9167.969.50000109.3H23 D30 N31 D49H23-S28 WeakPolarHBondContact CB-O 3.48Å; H23-S28 PolarHBondContact CD2-O 2.92Å; S28-D30 PolarHBondContact O-N 2.83Å; S28-N31 PolarHBondContact N-OD1 3.33Å; S28-N31 WeakPolarHBondContact O-CB 3.44Å; S28-N31 PolarHBondContact O-N 3.4Å; S28-N31 PolarHBondContact O-OD1 3.25Å; S28-N31 VanDerWaalsContact O-OD1 3.09Å; S28-D49 WeakPolarHBondContact CA-OD1 3.32Å; S28-D49 WeakPolarHBondContact CB-OD1 3.41Å
29L98.3Very high98.3Very high11 Ų1119.1 Ų19.16%0.0589%0.094CC..THydrogen-bonded Turntrans-55.3-22.1178.865.378000113.2N4 R6 N31 Q47 V48 D49N4-L29 WeakPolarHBondContact ND2-CD2 3.16Å; R6-L29 HydrophobicContact CB-CD1 4.06Å; R6-L29 HydrophobicContact CB-CD2 4.43Å; R6-L29 VanDerWaalsContact NH2-CD1 3.25Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.44Å; L29-Q47 HydrophobicContact CB-CB 3.95Å; L29-Q47 HydrophobicContact CD1-CB 4.29Å; L29-Q47 PolarHBondContact O-NE2 2.99Å; L29-V48 VanDerWaalsContact CB-C 3.45Å; L29-V48 WeakPolarHBondContact CB-O 3.32Å; L29-D49 WeakPolarHBondContact CB-OD1 3.35Å; L29-D49 HydrophobicContact CD2-CB 4.42Å; L29-D49 WeakPolarHBondContact CD2-OD2 3.45Å; L29-D49 WeakPolarHBondContact CG-OD1 3.29Å; L29-D49 PolarHBondContact N-OD1 3.5Å
30D97.8Very high98.3Very high74 Ų7419.3 Ų19.340%0.39610%0.096SC..THydrogen-bonded Turntrans-71-19.8177.6-75.2-22.7000113.9R6 S28 L32 G33R6-D30 IonicContact CZ-OD1 3.15Å; R6-D30 IonicContact NH1-OD1 2.65Å; R6-D30 PolarHBondContact NH1-OD1 2.76Å; R6-D30 IonicContact NH2-OD1 2.75Å; R6-D30 PolarHBondContact NH2-OD1 2.67Å; R6-D30 IonicContact NH2-OD2 3.92Å; S28-D30 PolarHBondContact O-N 2.83Å; D30-L32 PolarHBondContact O-N 2.95Å; D30-G33 PolarHBondContact O-N 3.01Å
31N97.2Very high98.3Very high15 Ų1522 Ų228%0.0811%0.109CC..THydrogen-bonded Turntrans-65.6-37.4-171.1-78.991000113.9H23 G27 S28 L29 G33 F161 H237H23-N31 HydrophobicContact CB-CB 4.19Å; G27-N31 WeakPolarHBondContact CA-OD1 3.4Å; S28-N31 PolarHBondContact N-OD1 3.33Å; S28-N31 WeakPolarHBondContact O-CB 3.44Å; S28-N31 PolarHBondContact O-N 3.4Å; S28-N31 PolarHBondContact O-OD1 3.25Å; S28-N31 VanDerWaalsContact O-OD1 3.09Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.44Å; N31-G33 VanDerWaalsContact C-N 3.27Å; N31-F161 WeakPolarHBondContact ND2-CD2 3.47Å; N31-F161 WeakPolarHBondContact ND2-CE2 3.48Å; N31-H237 PolarHBondContact O-CD2 3.24Å
32L97.9Very high98.3Very high2 Ų223 Ų231%0.0112%0.115CC..THydrogen-bonded Turntrans-90.89.5174.1-77.972.6000112.1L21 H23 D30 V34 L35 A36 I86 H88L21-L32 HydrophobicContact CB-CB 4.04Å; L21-L32 HydrophobicContact CB-CD2 4.12Å; L21-L32 HydrophobicContact CD1-CB 4.26Å; L21-L32 HydrophobicContact CD2-CD2 4.38Å; H23-L32 HydrophobicContact CB-CD1 3.98Å; D30-L32 PolarHBondContact O-N 2.95Å; L32-V34 PolarHBondContact O-N 3.11Å; L32-V34 VanDerWaalsContact O-N 3.1Å; L32-L35 HydrophobicContact CD2-CD1 4.42Å; L32-L35 HydrophobicContact CG-CD1 4.44Å; L32-L35 WeakPolarHBondContact O-CB 3.46Å; L32-L35 PolarHBondContact O-N 3.22Å; L32-A36 PolarHBondContact O-N 2.84Å; L32-I86 HydrophobicContact CD2-CG2 4.3Å; L32-H88 HydrophobicContact CD1-CB 4.12Å
33G97Very high98.2Very high6 Ų623.6 Ų23.66%0.06212%0.118CC..Hα-helixtrans-59.8-24.4-178.700000114D30 N31 L35 A36 R37D30-G33 PolarHBondContact O-N 3.01Å; N31-G33 VanDerWaalsContact C-N 3.27Å; G33-L35 VanDerWaalsContact C-N 3.31Å; G33-A36 PolarHBondContact O-N 2.81Å; G33-R37 WeakPolarHBondContact O-CG 3.42Å; G33-R37 PolarHBondContact O-N 2.79Å; G33-R37 VanDerWaalsContact O-N 3.08Å; G33-R37 PolarHBondContact O-NH1 3.45Å
34V97.5Very high98.2Very high38 Ų3826.6 Ų26.623%0.2313%0.134CC..Hα-helixtrans-65-35.5172.367.10000112.6L32 H237 P241L32-V34 PolarHBondContact O-N 3.11Å; L32-V34 VanDerWaalsContact O-N 3.1Å; V34-H237 WeakPolarHBondContact CG1-O 3.19Å; V34-P241 HydrophobicContact CG1-CB 4.35Å; V34-P241 HydrophobicContact CG2-CB 3.57Å; V34-P241 HydrophobicContact CG2-CG 4.17Å
35L98.7Very high98.3Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-77-42.3174.3-51.7-178.4000110.3L32 G33 R37 D38 L39 I86 I112 H237 V244 L245 I248L32-L35 HydrophobicContact CD2-CD1 4.42Å; L32-L35 HydrophobicContact CG-CD1 4.44Å; L32-L35 WeakPolarHBondContact O-CB 3.46Å; L32-L35 PolarHBondContact O-N 3.22Å; G33-L35 VanDerWaalsContact C-N 3.31Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 3.19Å; L35-D38 PolarHBondContact O-N 2.89Å; L35-D38 VanDerWaalsContact O-N 3.1Å; L35-L39 HydrophobicContact CB-CD1 4.12Å; L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 2.85Å; L35-I86 HydrophobicContact CD1-CG2 4.3Å; L35-I112 HydrophobicContact CD1-CD1 3.75Å; L35-H237 HydrophobicContact CD1-CB 4.22Å; L35-H237 HydrophobicContact CD2-CB 4.28Å; L35-H237 HydrophobicContact CG-CB 4.35Å; L35-V244 HydrophobicContact CD1-CG1 4.27Å; L35-V244 HydrophobicContact CD2-CB 4.43Å; L35-V244 HydrophobicContact CD2-CG1 3.9Å; L35-L245 HydrophobicContact CB-CD2 4.34Å; L35-L245 HydrophobicContact CD2-CD2 3.84Å; L35-L245 HydrophobicContact CD2-CG 3.8Å; L35-I248 HydrophobicContact CD1-CD1 4.01Å; L35-I248 HydrophobicContact CD2-CD1 4.42Å
36A98.6Very high98.3Very high3 Ų326.3 Ų26.33%0.02513%0.132CC..Hα-helixtrans-51.8-46.6177.800000112.6L21 L32 G33 D38 L39 V40 I45 Q47L21-A36 HydrophobicContact CD1-CB 3.49Å; L21-A36 VanDerWaalsContact CD1-CB 3.49Å; L32-A36 PolarHBondContact O-N 2.84Å; G33-A36 PolarHBondContact O-N 2.81Å; A36-D38 PolarHBondContact O-N 3.21Å; A36-L39 PolarHBondContact O-N 2.84Å; A36-V40 WeakPolarHBondContact O-CB 3.45Å; A36-V40 PolarHBondContact O-N 3.46Å; A36-I45 HydrophobicContact CB-CG2 3.98Å; A36-Q47 HydrophobicContact CB-CG 4.2Å
37R98.4Very high98.3Very high167 Ų16726.8 Ų26.863%0.6313%0.134SC*.Hα-helixtrans-62.3-29-178.7-76-172.6-60.1-90.27.3113.9G33 L35G33-R37 WeakPolarHBondContact O-CG 3.42Å; G33-R37 PolarHBondContact O-N 2.79Å; G33-R37 VanDerWaalsContact O-N 3.08Å; G33-R37 PolarHBondContact O-NH1 3.45Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 3.19Å
38D98.5Very high98.3Very high50 Ų5026.8 Ų26.827%0.26713%0.134SC..Hα-helixtrans-85.3-45.8175.2179.8-88.7000111.3L35 A36 V40 N41 L245 R249L35-D38 PolarHBondContact O-N 2.89Å; L35-D38 VanDerWaalsContact O-N 3.1Å; A36-D38 PolarHBondContact O-N 3.21Å; D38-V40 VanDerWaalsContact C-N 3.31Å; D38-V40 PolarHBondContact O-N 3.46Å; D38-N41 WeakPolarHBondContact O-CB 3.35Å; D38-N41 PolarHBondContact O-N 2.82Å; D38-N41 PolarHBondContact O-ND2 3.17Å; D38-L245 HydrophobicContact CB-CD1 3.55Å; D38-L245 HydrophobicContact CB-CD2 3.78Å; D38-L245 HydrophobicContact CB-CG 4.31Å; D38-R249 PolarHBondContact O-NH2 3.14Å; D38-R249 IonicContact OD1-CZ 3.29Å; D38-R249 IonicContact OD1-NE 3.58Å; D38-R249 PolarHBondContact OD1-NE 3.45Å; D38-R249 IonicContact OD1-NH2 4Å; D38-R249 PolarHBondContact OD1-NH2 2.96Å
39L98.6Very high98.4Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-70.9-24.3-174.4-65169.3000113.1I19 L21 L35 A36 N41 D42 H43 I45 I86 L245 I248 L252I19-L39 HydrophobicContact CD1-CB 4.18Å; I19-L39 HydrophobicContact CD1-CD1 4.06Å; I19-L39 HydrophobicContact CD1-CD2 4.1Å; I19-L39 HydrophobicContact CD1-CG 4.34Å; I19-L39 HydrophobicContact CG2-CD1 4.45Å; L21-L39 HydrophobicContact CD2-CD1 4.36Å; L35-L39 HydrophobicContact CB-CD1 4.12Å; L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 2.84Å; L39-N41 PolarHBondContact O-N 2.63Å; L39-N41 VanDerWaalsContact O-N 3.13Å; L39-D42 PolarHBondContact O-N 2.62Å; L39-D42 VanDerWaalsContact O-OD1 3.05Å; L39-H43 WeakPolarHBondContact O-CB 3.35Å; L39-H43 PolarHBondContact O-N 2.88Å; L39-H43 PolarHBondContact O-ND1 3.49Å; L39-I45 HydrophobicContact CB-CD1 3.67Å; L39-I86 HydrophobicContact CD1-CD1 3.74Å; L39-L245 HydrophobicContact CD2-CD2 4.36Å; L39-L245 HydrophobicContact CG-CD2 4.18Å; L39-I248 HydrophobicContact CD2-CG2 4.12Å; L39-L252 HydrophobicContact CD2-CD1 4.22Å
40V98.5Very high98.4Very high5 Ų526 Ų263%0.0313%0.129CC..THydrogen-bonded Turntrans-65.6-12.9176.175.50000113.3Q8 T9 A10 Q11 A36 D38 D42 H43 I45Q8-V40 HydrophobicContact CB-CG2 4.05Å; Q8-V40 HydrophobicContact CG-CG2 3.83Å; T9-V40 WeakPolarHBondContact O-CG2 3.48Å; A10-V40 CarbonylContact C-O 3.58Å; A10-V40 VanDerWaalsContact CA-O 3.31Å; A10-V40 WeakPolarHBondContact CA-O 3.42Å; Q11-V40 HydrophobicContact CG-CG1 4.4Å; Q11-V40 PolarHBondContact N-O 3.36Å; A36-V40 WeakPolarHBondContact O-CB 3.45Å; A36-V40 PolarHBondContact O-N 3.46Å; D38-V40 VanDerWaalsContact C-N 3.31Å; D38-V40 PolarHBondContact O-N 3.46Å; V40-D42 PolarHBondContact O-N 3.2Å; V40-H43 WeakPolarHBondContact CA-O 3.35Å; V40-I45 HydrophobicContact CB-CG1 3.72Å; V40-I45 HydrophobicContact CG2-CG1 4.05Å
41N98.3Very high98.4Very high59 Ų5923.3 Ų23.332%0.31611%0.113SC..THydrogen-bonded Turntrans-58.1-34175-76.5-54.5000112.7Q11 N12 D38 L39Q11-N41 PolarHBondContact NE2-OD1 3.2Å; N12-N41 WeakPolarHBondContact CB-O 3.46Å; N12-N41 PolarHBondContact N-O 3.46Å; N12-N41 PolarHBondContact ND2-O 3.48Å; D38-N41 WeakPolarHBondContact O-CB 3.35Å; D38-N41 PolarHBondContact O-N 2.82Å; D38-N41 PolarHBondContact O-ND2 3.17Å; L39-N41 PolarHBondContact O-N 2.63Å; L39-N41 VanDerWaalsContact O-N 3.13Å
42D98.4Very high98.5Very high25 Ų2522.6 Ų22.613%0.13411%0.11CC..THydrogen-bonded Turntrans-140.33.7-170.455.7-13.8000114.4H14 N16 L39 V40 R249H14-D42 HydrophobicContact CB-CB 4.35Å; N16-D42 PolarHBondContact ND2-O 3.47Å; L39-D42 PolarHBondContact O-N 2.62Å; L39-D42 VanDerWaalsContact O-OD1 3.05Å; V40-D42 PolarHBondContact O-N 3.2Å; D42-R249 IonicContact OD1-CZ 2.83Å; D42-R249 IonicContact OD1-NH1 2.7Å; D42-R249 PolarHBondContact OD1-NH1 3.43Å; D42-R249 IonicContact OD1-NH2 3.21Å; D42-R249 PolarHBondContact OD1-NH2 3.14Å; D42-R249 IonicContact OD2-CZ 2.63Å; D42-R249 IonicContact OD2-NH1 3.7Å; D42-R249 PolarHBondContact OD2-NH1 2.68Å; D42-R249 IonicContact OD2-NH2 3.66Å
43H98.7Very high98.6Very high13 Ų1322.5 Ų22.56%0.0611%0.109CC..SBendtrans-135.6145.5177.6-5975.1000111.4A10 N16 S17 I19 L39 V40 I45A10-H43 WeakPolarHBondContact CA-O 3.42Å; A10-H43 VanDerWaalsContact CB-C 3.47Å; N16-H43 WeakPolarHBondContact CB-CD2 3.21Å; N16-H43 WeakPolarHBondContact CB-NE2 3.32Å; N16-H43 PolarHBondContact ND2-CE1 3.01Å; N16-H43 PolarHBondContact ND2-NE2 3.28Å; S17-H43 PolarHBondContact O-CD2 3.43Å; I19-H43 HydrophobicContact CD1-CB 3.85Å; I19-H43 VanDerWaalsContact CD1-CD2 3.48Å; I19-H43 WeakPolarHBondContact CD1-CD2 3.41Å; I19-H43 VanDerWaalsContact CD1-CG 3.5Å; I19-H43 HydrophobicContact CG1-CB 4.01Å; L39-H43 WeakPolarHBondContact O-CB 3.35Å; L39-H43 PolarHBondContact O-N 2.88Å; L39-H43 PolarHBondContact O-ND1 3.49Å; V40-H43 WeakPolarHBondContact CA-O 3.35Å; H43-I45 HydrophobicContact CB-CD1 3.97Å
44N98.6Very high98.6Very high64 Ų6422.6 Ų22.634%0.34211%0.11SC..  trans-68.6131.2162.2-71.9-18.3000108T9 A10 P18 I19T9-N44 WeakPolarHBondContact CA-OD1 3.32Å; A10-N44 PolarHBondContact N-OD1 3.32Å; P18-N44 CarbonylContact C-O 3.55Å; P18-N44 VanDerWaalsContact CA-O 3.31Å; P18-N44 WeakPolarHBondContact CA-O 3.42Å; P18-N44 HydrophobicContact CB-CB 4.02Å; I19-N44 PolarHBondContact N-O 3.04Å
45I98.8Very high98.7Very high2 Ų226 Ų261%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-111135.3-176.2-56.5-56.2000110.7A7 Q8 I19 L21 A36 L39 V40 H43 Q47A7-I45 CarbonylContact C-O 3.47Å; A7-I45 VanDerWaalsContact CA-O 3.29Å; A7-I45 WeakPolarHBondContact CA-O 3.31Å; Q8-I45 PolarHBondContact N-O 3.05Å; Q8-I45 PolarHBondContact O-N 3.27Å; I19-I45 HydrophobicContact CB-CD1 3.85Å; I19-I45 HydrophobicContact CD1-CD1 4.44Å; I19-I45 HydrophobicContact CG2-CD1 4.44Å; I19-I45 WeakPolarHBondContact O-CA 3.38Å; L21-I45 HydrophobicContact CD1-CG2 3.85Å; L21-I45 HydrophobicContact CG-CG2 4.31Å; A36-I45 HydrophobicContact CB-CG2 3.98Å; L39-I45 HydrophobicContact CB-CD1 3.67Å; V40-I45 HydrophobicContact CB-CG1 3.72Å; V40-I45 HydrophobicContact CG2-CG1 4.05Å; H43-I45 HydrophobicContact CB-CD1 3.97Å; I45-Q47 HydrophobicContact CG2-CG 4.03Å
46I98.9Very high98.7Very high7 Ų726.5 Ų26.54%0.03613%0.13CC..EExtended strand (participates in β ladder)trans-123.3110.6170.7-56.785.7000107.8I5 P18 I19 V20 L21 V48 L78 I80I5-I46 HydrophobicContact CB-CG2 4.17Å; I5-I46 HydrophobicContact CD1-CG2 4.35Å; I5-I46 HydrophobicContact CG2-CG2 4.14Å; P18-I46 HydrophobicContact CB-CD1 3.73Å; I19-I46 PolarHBondContact O-N 2.98Å; V20-I46 CarbonylContact C-O 3.46Å; V20-I46 VanDerWaalsContact CA-O 3.29Å; V20-I46 WeakPolarHBondContact CA-O 3.33Å; V20-I46 HydrophobicContact CG2-CB 4.26Å; V20-I46 HydrophobicContact CG2-CD1 4.46Å; L21-I46 PolarHBondContact N-O 3.11Å; I46-V48 HydrophobicContact CG2-CG1 3.96Å; I46-L78 HydrophobicContact CG1-CD1 4.03Å; I46-L78 HydrophobicContact CG2-CD1 4.07Å; I46-I80 HydrophobicContact CD1-CD1 3.88Å; I46-I80 HydrophobicContact CG1-CD1 4.31Å
47Q98.8Very high98.7Very high11 Ų1129.2 Ų29.25%0.05115%0.147CC..EExtended strand (participates in β ladder)trans-95.3125.3170.5-59.9175.2-10200108.4I5 R6 L21 L29 A36 I45I5-Q47 CarbonylContact C-O 3.58Å; I5-Q47 WeakPolarHBondContact CA-O 3.29Å; R6-Q47 HydrophobicContact CB-CB 4.37Å; R6-Q47 PolarHBondContact N-O 2.83Å; R6-Q47 PolarHBondContact O-N 3.48Å; L21-Q47 HydrophobicContact CB-CG 4.33Å; L21-Q47 HydrophobicContact CD1-CG 4.03Å; L29-Q47 HydrophobicContact CB-CB 3.95Å; L29-Q47 HydrophobicContact CD1-CB 4.29Å; L29-Q47 PolarHBondContact O-NE2 2.99Å; A36-Q47 HydrophobicContact CB-CG 4.2Å; I45-Q47 HydrophobicContact CG2-CG 4.03Å
48V98.9Very high98.7Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-108.6140.6-178.1-53.20000111.2L3 I5 V20 L21 V22 H23 L29 I46 M50 L71 T74L3-V48 HydrophobicContact CB-CB 4.46Å; L3-V48 HydrophobicContact CD1-CB 3.94Å; L3-V48 HydrophobicContact CD1-CG1 4.47Å; L3-V48 HydrophobicContact CD1-CG2 4.04Å; I5-V48 HydrophobicContact CG2-CB 4.48Å; I5-V48 HydrophobicContact CG2-CG1 3.92Å; V20-V48 HydrophobicContact CG1-CG1 3.85Å; L21-V48 PolarHBondContact O-N 3.41Å; V22-V48 HydrophobicContact CB-CG2 4.4Å; V22-V48 HydrophobicContact CG1-CG2 4.14Å; V22-V48 HydrophobicContact CG2-CG2 4.15Å; H23-V48 PolarHBondContact CD2-O 3.41Å; H23-V48 VanDerWaalsContact CD2-O 3.24Å; L29-V48 VanDerWaalsContact CB-C 3.45Å; L29-V48 WeakPolarHBondContact CB-O 3.32Å; I46-V48 HydrophobicContact CG2-CG1 3.96Å; V48-M50 HydrophobicContact CG2-SD 4.05Å; V48-L71 HydrophobicContact CG2-CD2 4.23Å; V48-T74 HydrophobicContact CG1-CG2 4.38Å
49D98.9Very high98.7Very high5 Ų529.8 Ų29.83%0.02715%0.149CC..PPolyproline II helixtrans-82.8124158.7-80.2-37000107.1N4 S28 L29 L55 S56N4-D49 HydrophobicContact CB-CB 4.23Å; N4-D49 PolarHBondContact ND2-OD2 2.96Å; N4-D49 PolarHBondContact O-N 2.85Å; S28-D49 WeakPolarHBondContact CA-OD1 3.32Å; S28-D49 WeakPolarHBondContact CB-OD1 3.41Å; L29-D49 WeakPolarHBondContact CB-OD1 3.35Å; L29-D49 HydrophobicContact CD2-CB 4.42Å; L29-D49 WeakPolarHBondContact CD2-OD2 3.45Å; L29-D49 WeakPolarHBondContact CG-OD1 3.29Å; L29-D49 PolarHBondContact N-OD1 3.5Å; D49-L55 PolarHBondContact OD2-N 3.07Å; D49-S56 WeakPolarHBondContact CB-OG 3.46Å; D49-S56 WeakPolarHBondContact O-CB 3.31Å; D49-S56 PolarHBondContact O-OG 2.83Å
50M98.9Very high98.6Very high0 Ų034 Ų340%018%0.176CC..PPolyproline II helixtrans-65155.9174.1-68.7-57.5-71.900110.5L3 V22 H23 V48 N52 H53 S56 M67 L71 M90 A94L3-M50 HydrophobicContact CD1-SD 4.11Å; V22-M50 HydrophobicContact CG1-CE 4.24Å; V22-M50 HydrophobicContact CG1-CG 3.89Å; V22-M50 HydrophobicContact CG1-SD 3.29Å; V22-M50 WeakPolarHBondContact CG1-SD 3.23Å; H23-M50 PolarHBondContact NE2-N 2.89Å; V48-M50 HydrophobicContact CG2-SD 4.05Å; M50-N52 PolarHBondContact O-N 2.9Å; M50-H53 WeakPolarHBondContact O-CA 3.26Å; M50-H53 WeakPolarHBondContact O-CB 3.34Å; M50-H53 PolarHBondContact O-N 3.27Å; M50-S56 VanDerWaalsContact O-CB 3.31Å; M50-S56 WeakPolarHBondContact O-CB 3.29Å; M50-M67 HydrophobicContact CE-CB 3.63Å; M50-M67 HydrophobicContact CE-CG 3.68Å; M50-M67 HydrophobicContact CE-SD 3.72Å; M50-L71 HydrophobicContact SD-CD2 4.45Å; M50-M90 HydrophobicContact CB-CE 3.9Å; M50-M90 HydrophobicContact CG-CE 3.95Å; M50-A94 HydrophobicContact CE-CB 3.76Å
51R98.8Very high98.6Very high17 Ų1736.8 Ų36.86%0.06419%0.193CC..THydrogen-bonded Turntrans-46.4144.7169.762.1164.366.7-160.7-2.6110.7M1 L3 H53 V61 M62 A66 M67 D70M1-R51 HydrophobicContact CE-CB 3.29Å; M1-R51 HydrophobicContact CE-CG 4.41Å; M1-R51 PolarHBondContact SD-NH2 3.17Å; M1-R51 VanDerWaalsContact SD-NH2 3.44Å; L3-R51 HydrophobicContact CD2-CB 4.45Å; R51-H53 PolarHBondContact O-N 3.43Å; R51-H53 VanDerWaalsContact O-N 3.16Å; R51-H53 PolarHBondContact O-ND1 3.23Å; R51-V61 WeakPolarHBondContact CD-O 3.32Å; R51-V61 PolarHBondContact NH1-O 2.74Å; R51-M62 VanDerWaalsContact CD-SD 3.57Å; R51-M62 HydrophobicContact CG-CE 4.04Å; R51-M62 HydrophobicContact CG-SD 3.51Å; R51-M62 VanDerWaalsContact CG-SD 3.51Å; R51-M62 WeakPolarHBondContact O-CE 3.36Å; R51-A66 PolarHBondContact NH2-O 3.25Å; R51-M67 HydrophobicContact CG-CG 3.99Å; R51-D70 IonicContact CZ-OD1 2.77Å; R51-D70 IonicContact CZ-OD2 2.82Å; R51-D70 VanDerWaalsContact CZ-OD2 3.26Å; R51-D70 IonicContact NE-OD1 3.85Å; R51-D70 IonicContact NE-OD2 2.66Å; R51-D70 PolarHBondContact NE-OD2 2.78Å; R51-D70 IonicContact NH2-OD1 3.23Å; R51-D70 PolarHBondContact NH2-OD1 3.46Å; R51-D70 IonicContact NH2-OD2 3.94Å; R51-D70 PolarHBondContact NH2-OD2 3.09Å
52N98.8Very high98.7Very high1 Ų134 Ų341%0.00518%0.178CC..THydrogen-bonded Turntrans61.714.7-176.3-64.3-53.4000115.6M50 P57 R58 E59 M62 F173 N174 L178M50-N52 PolarHBondContact O-N 2.9Å; N52-P57 PolarHBondContact N-O 3.23Å; N52-P57 VanDerWaalsContact N-O 3.07Å; N52-R58 WeakPolarHBondContact OD1-CA 3.25Å; N52-E59 PolarHBondContact ND2-O 2.62Å; N52-E59 PolarHBondContact OD1-N 2.93Å; N52-E59 PolarHBondContact OD1-O 3.3Å; N52-E59 VanDerWaalsContact OD1-O 3.11Å; N52-M62 HydrophobicContact CB-SD 4.14Å; N52-M62 PolarHBondContact ND2-SD 2.91Å; N52-M62 VanDerWaalsContact ND2-SD 3.36Å; N52-F173 CarbonylContact O-C 3.54Å; N52-F173 WeakPolarHBondContact O-CA 3.48Å; N52-F173 WeakPolarHBondContact O-CB 3.38Å; N52-N174 HydrophobicContact CB-CB 3.79Å; N52-N174 PolarHBondContact O-N 2.53Å; N52-N174 PolarHBondContact OD1-ND2 3.24Å; N52-L178 HydrophobicContact CB-CD2 4.15Å
53H98.8Very high98.7Very high0 Ų035.4 Ų35.40%019%0.186CC..SBendtrans-132.4160.3176.1-63.877.5000111.7H23 F26 G27 M50 R51 L55 S56H23-H53 VanDerWaalsContact CE1-CB 3.47Å; H23-H53 WeakPolarHBondContact CE1-CB 3.21Å; H23-H53 AromaticContact CE1-CD2 3.68Å; H23-H53 AromaticContact CE1-CG 3.54Å; F26-H53 PolarHBondContact N-CD2 3.47Å; F26-H53 PolarHBondContact N-NE2 2.88Å; G27-H53 PolarHBondContact O-CD2 3.41Å; M50-H53 WeakPolarHBondContact O-CA 3.26Å; M50-H53 WeakPolarHBondContact O-CB 3.34Å; M50-H53 PolarHBondContact O-N 3.27Å; R51-H53 PolarHBondContact O-N 3.43Å; R51-H53 VanDerWaalsContact O-N 3.16Å; R51-H53 PolarHBondContact O-ND1 3.23Å; H53-L55 PolarHBondContact O-N 2.7Å; H53-S56 WeakPolarHBondContact O-CB 3.27Å; H53-S56 PolarHBondContact O-N 2.78Å
54G98.3Very high98.7Very high8 Ų835.1 Ų35.18%0.08218%0.184CC..THydrogen-bonded Turntrans52.2-121.5174.800000113.4R172G54-R172 PolarHBondContact N-O 3.09Å; G54-R172 VanDerWaalsContact O-O 3.13Å
55L98.4Very high98.7Very high109 Ų10934.6 Ų34.657%0.57118%0.184SC*.THydrogen-bonded Turntrans-109.912.3175.7-64.1174.5000112.9N4 D49 H53N4-L55 HydrophobicContact CB-CB 4.24Å; D49-L55 PolarHBondContact OD2-N 3.07Å; H53-L55 PolarHBondContact O-N 2.7Å
56S98.8Very high98.7Very high11 Ų1135.5 Ų35.58%0.07719%0.192CC..SBendtrans-72.8158.8175.5-91.20000112.1N4 D49 M50 H53N4-S56 PolarHBondContact N-OG 2.88Å; D49-S56 WeakPolarHBondContact CB-OG 3.46Å; D49-S56 WeakPolarHBondContact O-CB 3.31Å; D49-S56 PolarHBondContact O-OG 2.83Å; M50-S56 VanDerWaalsContact O-CB 3.31Å; M50-S56 WeakPolarHBondContact O-CB 3.29Å; H53-S56 WeakPolarHBondContact O-CB 3.27Å; H53-S56 PolarHBondContact O-N 2.78Å
57P98.5Very high98.7Very high59 Ų5935.1 Ų35.138%0.38319%0.19SC..PPolyproline II helixtrans-54.8150175.7-25.334.8000113.2M1 N52M1-P57 HydrophobicContact CE-CB 4.23Å; M1-P57 HydrophobicContact CG-CG 4.39Å; N52-P57 PolarHBondContact N-O 3.23Å; N52-P57 VanDerWaalsContact N-O 3.07Å
58R98.5Very high98.7Very high152 Ų15234.6 Ų34.657%0.57419%0.188SC*.PPolyproline II helixtrans-95.8130.5176-63.6175.7-171.8-122.8-1.3108.7N52 N174N52-R58 WeakPolarHBondContact OD1-CA 3.25Å; R58-N174 HydrophobicContact CG-CB 4.42Å
59E98.4Very high98.7Very high77 Ų7738 Ų3836%0.3620%0.204SC..  trans-139.6138-177.9-78.8-65.8157.300109M1 N52 V61 V177M1-E59 HydrophobicContact CE-CB 4.37Å; M1-E59 HydrophobicContact CE-CG 3.58Å; M1-E59 HydrophobicContact SD-CG 4.25Å; N52-E59 PolarHBondContact ND2-O 2.62Å; N52-E59 PolarHBondContact OD1-N 2.93Å; N52-E59 PolarHBondContact OD1-O 3.3Å; N52-E59 VanDerWaalsContact OD1-O 3.11Å; E59-V61 PolarHBondContact O-N 2.98Å; E59-V177 WeakPolarHBondContact O-CG1 3.42Å
60P98.3Very high98.7Very high88 Ų8837.9 Ų37.957%0.57120%0.203SC*.SBendtrans-66-24.9177.526.5-33.6000112.9Q181P60-Q181 WeakPolarHBondContact O-CG 3.35Å
61V98.6Very high98.7Very high64 Ų6438 Ų3839%0.38820%0.203SC..  trans-85.2125.1-179.21790000111.1R51 E59 N63 A66R51-V61 WeakPolarHBondContact CD-O 3.32Å; R51-V61 PolarHBondContact NH1-O 2.74Å; E59-V61 PolarHBondContact O-N 2.98Å; V61-N63 WeakPolarHBondContact CG1-ND2 3.42Å; V61-A66 HydrophobicContact CG1-CB 4.15Å
62M98.6Very high98.7Very high0 Ų037.7 Ų37.70%020%0.203CC..  trans-136.776.5177.4-162.876.9179.900112R51 N52 M67 M90 V177 L178 Q181 H184 I185R51-M62 VanDerWaalsContact CD-SD 3.57Å; R51-M62 HydrophobicContact CG-CE 4.04Å; R51-M62 HydrophobicContact CG-SD 3.51Å; R51-M62 VanDerWaalsContact CG-SD 3.51Å; R51-M62 WeakPolarHBondContact O-CE 3.36Å; N52-M62 HydrophobicContact CB-SD 4.14Å; N52-M62 PolarHBondContact ND2-SD 2.91Å; N52-M62 VanDerWaalsContact ND2-SD 3.36Å; M62-M67 HydrophobicContact CE-CE 4.32Å; M62-M67 HydrophobicContact CE-SD 3.72Å; M62-M67 HydrophobicContact CG-CE 4.46Å; M62-M67 HydrophobicContact SD-SD 4.46Å; M62-M90 HydrophobicContact CE-CE 4.14Å; M62-M90 HydrophobicContact CE-SD 3.67Å; M62-V177 HydrophobicContact CB-CG1 4.37Å; M62-L178 HydrophobicContact CE-CD2 4.12Å; M62-Q181 HydrophobicContact CB-CB 3.56Å; M62-Q181 HydrophobicContact CB-CG 3.74Å; M62-Q181 HydrophobicContact CG-CB 4.44Å; M62-H184 WeakPolarHBondContact O-CB 3.35Å; M62-I185 HydrophobicContact CG-CD1 3.89Å; M62-I185 HydrophobicContact CG-CG1 3.91Å
63N98.6Very high98.7Very high56 Ų5640 Ų4030%0.29922%0.215SC..  trans-127.8165.5173.562.545.7000111.1V61 A66 M67V61-N63 WeakPolarHBondContact CG1-ND2 3.42Å; N63-A66 PolarHBondContact O-N 3.36Å; N63-A66 WeakPolarHBondContact OD1-CB 3.41Å; N63-A66 PolarHBondContact OD1-N 3.47Å; N63-M67 WeakPolarHBondContact O-CE 3.46Å; N63-M67 WeakPolarHBondContact O-CG 3.43Å; N63-M67 PolarHBondContact O-N 3.36Å
64Y98.9Very high98.7Very high7 Ų740.1 Ų40.13%0.02722%0.217CC..Hα-helixtrans-68.7-38.9-173.5-62.7-64000115.4A66 M67 A68 M90 K93 H184 I185 G187 W188Y64-A66 VanDerWaalsContact C-N 3.29Å; Y64-A66 PolarHBondContact O-N 2.88Å; Y64-M67 HydrophobicContact CD1-CE 3.44Å; Y64-M67 VanDerWaalsContact CD1-CE 3.44Å; Y64-M67 HydrophobicContact CD1-SD 4.48Å; Y64-M67 HydrophobicContact CE1-CE 3.53Å; Y64-M67 HydrophobicContact CG-CE 4.21Å; Y64-M67 PolarHBondContact O-N 3.45Å; Y64-A68 WeakPolarHBondContact O-CB 3.5Å; Y64-A68 PolarHBondContact O-N 3.1Å; Y64-M90 HydrophobicContact CE1-CG 4.3Å; Y64-K93 HydrophobicContact CD1-CB 3.7Å; Y64-K93 HydrophobicContact CE1-CB 3.23Å; Y64-K93 HydrophobicContact CE1-CD 4.04Å; Y64-K93 HydrophobicContact CE1-CG 4.27Å; Y64-K93 HydrophobicContact CE2-CB 4.21Å; Y64-K93 HydrophobicContact CE2-CD 3.76Å; Y64-K93 HydrophobicContact CG-CB 4.36Å; Y64-K93 WeakPolarHBondContact OH-CD 3.49Å; Y64-H184 VanDerWaalsContact CE2-O 3.23Å; Y64-H184 WeakPolarHBondContact CE2-O 3.39Å; Y64-I185 PolarHBondContact OH-O 3.34Å; Y64-G187 VanDerWaalsContact CE2-O 3.29Å; Y64-G187 WeakPolarHBondContact CE2-O 3.44Å; Y64-W188 HydrophobicContact CD1-CZ3 4.3Å; Y64-W188 AromaticContact CD2-CE3 3.46Å; Y64-W188 HydrophobicContact CD2-CE3 3.46Å; Y64-W188 VanDerWaalsContact CD2-CE3 3.46Å; Y64-W188 AromaticContact CD2-CZ3 3.68Å; Y64-W188 HydrophobicContact CD2-CZ3 3.68Å; Y64-W188 AromaticContact CE2-CE3 3.7Å; Y64-W188 HydrophobicContact CE2-CE3 3.7Å; Y64-W188 HydrophobicContact CE2-CZ3 4.18Å; Y64-W188 HydrophobicContact CG-CE3 4.04Å; Y64-W188 AromaticContact CG-CZ3 3.75Å; Y64-W188 HydrophobicContact CG-CZ3 3.75Å
65P98.7Very high98.7Very high53 Ų5340 Ų4034%0.34421%0.214SC..Hα-helixtrans-57.2-42.8172.6-27.736000112.5A68 Q69 E189P65-A68 PolarHBondContact O-N 3.24Å; P65-Q69 PolarHBondContact O-N 3.08Å; P65-E189 WeakPolarHBondContact CG-OE2 3.25Å
66A98.8Very high98.7Very high20 Ų2038.8 Ų38.817%0.16521%0.208CC..Hα-helixtrans-67.8-41.1177.900000112R51 V61 N63 Y64 A68 Q69 D70R51-A66 PolarHBondContact NH2-O 3.25Å; V61-A66 HydrophobicContact CG1-CB 4.15Å; N63-A66 PolarHBondContact O-N 3.36Å; N63-A66 WeakPolarHBondContact OD1-CB 3.41Å; N63-A66 PolarHBondContact OD1-N 3.47Å; Y64-A66 VanDerWaalsContact C-N 3.29Å; Y64-A66 PolarHBondContact O-N 2.88Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-Q69 PolarHBondContact O-N 3.16Å; A66-D70 VanDerWaalsContact O-CG 3.31Å; A66-D70 PolarHBondContact O-N 2.93Å; A66-D70 VanDerWaalsContact O-N 3.12Å
67M98.9Very high98.7Very high0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-64.1-37173.8-77.2-172.6-90.200112.9M50 R51 M62 N63 Y64 D70 L71 M90 A94M50-M67 HydrophobicContact CE-CB 3.63Å; M50-M67 HydrophobicContact CE-CG 3.68Å; M50-M67 HydrophobicContact CE-SD 3.72Å; R51-M67 HydrophobicContact CG-CG 3.99Å; M62-M67 HydrophobicContact CE-CE 4.32Å; M62-M67 HydrophobicContact CE-SD 3.72Å; M62-M67 HydrophobicContact CG-CE 4.46Å; M62-M67 HydrophobicContact SD-SD 4.46Å; N63-M67 WeakPolarHBondContact O-CE 3.46Å; N63-M67 WeakPolarHBondContact O-CG 3.43Å; N63-M67 PolarHBondContact O-N 3.36Å; Y64-M67 HydrophobicContact CD1-CE 3.44Å; Y64-M67 VanDerWaalsContact CD1-CE 3.44Å; Y64-M67 HydrophobicContact CD1-SD 4.48Å; Y64-M67 HydrophobicContact CE1-CE 3.53Å; Y64-M67 HydrophobicContact CG-CE 4.21Å; Y64-M67 PolarHBondContact O-N 3.45Å; M67-D70 WeakPolarHBondContact O-CB 3.5Å; M67-D70 PolarHBondContact O-N 2.85Å; M67-L71 PolarHBondContact O-N 2.84Å; M67-M90 HydrophobicContact CE-CG 4.38Å; M67-M90 HydrophobicContact SD-CE 4.48Å; M67-M90 HydrophobicContact SD-CG 4.17Å; M67-M90 HydrophobicContact SD-SD 4.24Å; M67-A94 HydrophobicContact CB-CB 3.84Å; M67-A94 HydrophobicContact SD-CB 4.42Å
68A98.9Very high98.7Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-65.5-42.3174.400000111.2Y64 P65 A66 D70 L71 V72 A97 L98 L101Y64-A68 WeakPolarHBondContact O-CB 3.5Å; Y64-A68 PolarHBondContact O-N 3.1Å; P65-A68 PolarHBondContact O-N 3.24Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A68-D70 PolarHBondContact O-N 3.35Å; A68-L71 WeakPolarHBondContact O-CB 3.38Å; A68-L71 PolarHBondContact O-N 3.37Å; A68-V72 PolarHBondContact O-N 3.21Å; A68-V72 VanDerWaalsContact O-N 3.16Å; A68-A97 HydrophobicContact CB-CB 4.17Å; A68-L98 HydrophobicContact CB-CB 4.17Å; A68-L98 HydrophobicContact CB-CD1 4.3Å; A68-L101 HydrophobicContact CB-CB 4.41Å; A68-L101 HydrophobicContact CB-CD2 3.73Å
69Q98.9Very high98.7Very high72 Ų7242.4 Ų42.434%0.33624%0.236SC..Hα-helixtrans-60.1-35175-17361.35500111.9P65 A66 L71 V72 D73 L101P65-Q69 PolarHBondContact O-N 3.08Å; A66-Q69 PolarHBondContact O-N 3.16Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 2.77Å; Q69-V72 WeakPolarHBondContact O-CB 3.19Å; Q69-V72 PolarHBondContact O-N 2.82Å; Q69-D73 PolarHBondContact NE2-OD1 3.35Å; Q69-D73 VanDerWaalsContact O-CG 3.25Å; Q69-D73 PolarHBondContact O-N 3.22Å; Q69-L101 HydrophobicContact CB-CD2 4.02Å
70D98.9Very high98.7Very high1 Ų140 Ų401%0.00523%0.226CC..Hα-helixtrans-63.5-35.5175.5-62.3-12.9000113.1M1 L3 R51 A66 M67 A68 T74M1-D70 PolarHBondContact N-OD1 2.85Å; M1-D70 WeakPolarHBondContact O-CA 3.39Å; M1-D70 WeakPolarHBondContact O-CB 3.32Å; L3-D70 HydrophobicContact CD1-CB 3.96Å; L3-D70 HydrophobicContact CD2-CB 3.75Å; L3-D70 HydrophobicContact CG-CB 3.82Å; R51-D70 IonicContact CZ-OD1 2.77Å; R51-D70 IonicContact CZ-OD2 2.82Å; R51-D70 VanDerWaalsContact CZ-OD2 3.26Å; R51-D70 IonicContact NE-OD1 3.85Å; R51-D70 IonicContact NE-OD2 2.66Å; R51-D70 PolarHBondContact NE-OD2 2.78Å; R51-D70 IonicContact NH2-OD1 3.23Å; R51-D70 PolarHBondContact NH2-OD1 3.46Å; R51-D70 IonicContact NH2-OD2 3.94Å; R51-D70 PolarHBondContact NH2-OD2 3.09Å; A66-D70 VanDerWaalsContact O-CG 3.31Å; A66-D70 PolarHBondContact O-N 2.93Å; A66-D70 VanDerWaalsContact O-N 3.12Å; M67-D70 WeakPolarHBondContact O-CB 3.5Å; M67-D70 PolarHBondContact O-N 2.85Å; A68-D70 PolarHBondContact O-N 3.35Å; D70-T74 WeakPolarHBondContact O-CB 3.44Å; D70-T74 PolarHBondContact O-N 3.02Å; D70-T74 PolarHBondContact O-OG1 3.17Å
71L98.9Very high98.7Very high2 Ų242.4 Ų42.41%0.0123%0.234CC..Hα-helixtrans-66.1-42.6175-61177000110.3L3 V22 V48 M50 M67 A68 Q69 T74 L75 F85 V95 L98L3-L71 HydrophobicContact CD1-CD2 4.19Å; V22-L71 HydrophobicContact CG2-CD2 4.11Å; V48-L71 HydrophobicContact CG2-CD2 4.23Å; M50-L71 HydrophobicContact SD-CD2 4.45Å; M67-L71 PolarHBondContact O-N 2.84Å; A68-L71 WeakPolarHBondContact O-CB 3.38Å; A68-L71 PolarHBondContact O-N 3.37Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 2.77Å; L71-T74 PolarHBondContact O-N 3.04Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.21Å; L71-F85 HydrophobicContact CB-CE1 4.09Å; L71-F85 HydrophobicContact CD1-CD1 4.24Å; L71-F85 HydrophobicContact CD1-CE1 4.03Å; L71-F85 HydrophobicContact CD2-CE1 4.39Å; L71-F85 HydrophobicContact CG-CE1 4.4Å; L71-V95 HydrophobicContact CD1-CG2 4.2Å; L71-L98 HydrophobicContact CB-CD1 4.49Å; L71-L98 HydrophobicContact CB-CD2 4.24Å; L71-L98 HydrophobicContact CD1-CD2 4.15Å
72V98.9Very high98.7Very high12 Ų1243.4 Ų43.47%0.07323%0.233CC..Hα-helixtrans-58.9-54.4173.9177.30000110.8A68 Q69 T74 L75 D76 L98 L101 A102A68-V72 PolarHBondContact O-N 3.21Å; A68-V72 VanDerWaalsContact O-N 3.16Å; Q69-V72 WeakPolarHBondContact O-CB 3.19Å; Q69-V72 PolarHBondContact O-N 2.82Å; V72-T74 PolarHBondContact O-N 3.4Å; V72-L75 PolarHBondContact O-N 3.06Å; V72-D76 PolarHBondContact O-N 3.17Å; V72-L98 HydrophobicContact CG2-CD1 3.49Å; V72-L98 VanDerWaalsContact CG2-CD1 3.49Å; V72-L101 HydrophobicContact CG2-CD2 4.39Å; V72-A102 HydrophobicContact CG2-CB 3.74Å
73D98.9Very high98.8Very high48 Ų4843.4 Ų43.426%0.25723%0.233SC..Hα-helixtrans-60.2-33.1-179.1-66.4-5.6000112M1 Q69 A77M1-D73 WeakPolarHBondContact CA-OD2 3.43Å; M1-D73 PolarHBondContact N-OD2 2.96Å; Q69-D73 PolarHBondContact NE2-OD1 3.35Å; Q69-D73 VanDerWaalsContact O-CG 3.25Å; Q69-D73 PolarHBondContact O-N 3.22Å; D73-A77 WeakPolarHBondContact O-CB 3.38Å; D73-A77 PolarHBondContact O-N 2.85Å
74T98.9Very high98.8Very high4 Ų441 Ų413%0.02522%0.22CC..Hα-helixtrans-71.8-41.2176.6-60.20000111.6L3 I5 V48 D70 L71 V72 A77 L78L3-T74 PolarHBondContact N-OG1 2.72Å; I5-T74 HydrophobicContact CG2-CG2 3.64Å; V48-T74 HydrophobicContact CG1-CG2 4.38Å; D70-T74 WeakPolarHBondContact O-CB 3.44Å; D70-T74 PolarHBondContact O-N 3.02Å; D70-T74 PolarHBondContact O-OG1 3.17Å; L71-T74 PolarHBondContact O-N 3.04Å; V72-T74 PolarHBondContact O-N 3.4Å; T74-A77 PolarHBondContact O-N 3.28Å; T74-L78 HydrophobicContact CG2-CD1 4.3Å; T74-L78 WeakPolarHBondContact O-CG 3.47Å; T74-L78 PolarHBondContact O-N 2.73Å
75L98.8Very high98.8Very high4 Ų440.7 Ų40.72%0.02122%0.219CC..Hα-helixtrans-63.4-43.3173-71-170.1000111.7V20 L71 V72 A77 L78 Q79 I80 A83 F85 R105V20-L75 HydrophobicContact CG2-CD2 3.93Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.21Å; V72-L75 PolarHBondContact O-N 3.06Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.33Å; L75-L78 CarbonylContact O-C 3.52Å; L75-L78 PolarHBondContact O-N 3.33Å; L75-L78 VanDerWaalsContact O-N 3.07Å; L75-Q79 PolarHBondContact O-N 2.84Å; L75-I80 HydrophobicContact CB-CB 4.41Å; L75-I80 HydrophobicContact CD2-CB 3.97Å; L75-I80 HydrophobicContact CD2-CD1 4.25Å; L75-I80 HydrophobicContact CD2-CG2 3.86Å; L75-I80 PolarHBondContact O-N 3.21Å; L75-A83 HydrophobicContact CD1-CB 4.44Å; L75-A83 HydrophobicContact CD2-CB 4.11Å; L75-F85 HydrophobicContact CD1-CE2 4.27Å; L75-F85 HydrophobicContact CD1-CZ 3.79Å; L75-F85 HydrophobicContact CD2-CZ 4.46Å; L75-F85 HydrophobicContact CG-CZ 4.26Å; L75-R105 HydrophobicContact CD1-CB 4.18Å
76D98.7Very high98.8Very high84 Ų8438.1 Ų38.145%0.44920%0.202SC..Hα-helixtrans-61.1-43.2178.7-68.6-10.5000111.2V72 L78 Q79 R105V72-D76 PolarHBondContact O-N 3.17Å; D76-L78 PolarHBondContact O-N 2.99Å; D76-Q79 PolarHBondContact O-N 3.34Å; D76-Q79 VanDerWaalsContact O-N 3.07Å; D76-R105 IonicContact OD1-CZ 3.21Å; D76-R105 IonicContact OD1-NH1 3.58Å; D76-R105 PolarHBondContact OD1-NH1 2.73Å; D76-R105 IonicContact OD1-NH2 3.58Å; D76-R105 PolarHBondContact OD1-NH2 2.88Å; D76-R105 IonicContact OD2-NH1 3.97Å
77A98.7Very high98.8Very high57 Ų5737.2 Ų37.247%0.47120%0.195SC..Hα-helixtrans-64.2-23.5176.200000113.8K2 D73 T74 L75K2-A77 HydrophobicContact CD-CB 3.49Å; K2-A77 VanDerWaalsContact CD-CB 3.49Å; K2-A77 HydrophobicContact CG-CB 3.89Å; D73-A77 WeakPolarHBondContact O-CB 3.38Å; D73-A77 PolarHBondContact O-N 2.85Å; T74-A77 PolarHBondContact O-N 3.28Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.33Å
78L98.5Very high98.8Very high60 Ų6037.4 Ų37.431%0.31420%0.195SC..THydrogen-bonded Turntrans-97.70.1176.1-63170.9000113.2I5 I46 T74 L75 D76 I80I5-L78 HydrophobicContact CD1-CD1 3.72Å; I5-L78 HydrophobicContact CD1-CD2 3.49Å; I5-L78 VanDerWaalsContact CD1-CD2 3.49Å; I5-L78 HydrophobicContact CD1-CG 4.09Å; I46-L78 HydrophobicContact CG1-CD1 4.03Å; I46-L78 HydrophobicContact CG2-CD1 4.07Å; T74-L78 HydrophobicContact CG2-CD1 4.3Å; T74-L78 WeakPolarHBondContact O-CG 3.47Å; T74-L78 PolarHBondContact O-N 2.73Å; L75-L78 CarbonylContact O-C 3.52Å; L75-L78 PolarHBondContact O-N 3.33Å; L75-L78 VanDerWaalsContact O-N 3.07Å; D76-L78 PolarHBondContact O-N 2.99Å; L78-I80 VanDerWaalsContact C-N 3.28Å; L78-I80 HydrophobicContact CB-CD1 3.8Å; L78-I80 HydrophobicContact CB-CG1 3.95Å; L78-I80 HydrophobicContact CD1-CD1 4.04Å; L78-I80 PolarHBondContact O-N 3.17Å
79Q98.6Very high98.8Very high181 Ų18137.9 Ų37.985%0.84620%0.199SC*.THydrogen-bonded Turntrans55.642.4-175.6-52.2-179.4-59.600112.4L75 D76L75-Q79 PolarHBondContact O-N 2.84Å; D76-Q79 PolarHBondContact O-N 3.34Å; D76-Q79 VanDerWaalsContact O-N 3.07Å
80I98.6Very high98.8Very high28 Ų2834.6 Ų34.614%0.14418%0.184CC..  trans-103.4115.8177.4-64.6171.8000109.2P18 I46 L75 L78 A83 R105P18-I80 HydrophobicContact CB-CD1 4.49Å; P18-I80 HydrophobicContact CG-CD1 4.2Å; P18-I80 HydrophobicContact CG-CG2 3.63Å; I46-I80 HydrophobicContact CD1-CD1 3.88Å; I46-I80 HydrophobicContact CG1-CD1 4.31Å; L75-I80 HydrophobicContact CB-CB 4.41Å; L75-I80 HydrophobicContact CD2-CB 3.97Å; L75-I80 HydrophobicContact CD2-CD1 4.25Å; L75-I80 HydrophobicContact CD2-CG2 3.86Å; L75-I80 PolarHBondContact O-N 3.21Å; L78-I80 VanDerWaalsContact C-N 3.28Å; L78-I80 HydrophobicContact CB-CD1 3.8Å; L78-I80 HydrophobicContact CB-CG1 3.95Å; L78-I80 HydrophobicContact CD1-CD1 4.04Å; L78-I80 PolarHBondContact O-N 3.17Å; I80-A83 HydrophobicContact CG2-CB 4.21Å; I80-R105 PolarHBondContact O-NH2 2.81Å
81D98.6Very high98.8Very high137 Ų13734.5 Ų34.573%0.73318%0.183SC*.SBendtrans-69.7-44.9179.4-61.4-50.6000112.2R105D81-R105 WeakPolarHBondContact O-CD 3.48Å; D81-R105 PolarHBondContact O-NE 3.44Å
82K98.7Very high98.8Very high86 Ų8634.4 Ų34.437%0.37418%0.183SC..  trans-147.6140.5-175.5-163.2176.264.9152.20111.5R105 D107K82-R105 WeakPolarHBondContact CA-O 3.45Å; K82-D107 HydrophobicContact CD-CB 4.17Å; K82-D107 WeakPolarHBondContact CE-OD1 3.37Å; K82-D107 HydrophobicContact CG-CB 4.09Å; K82-D107 IonicContact NZ-OD1 3.04Å; K82-D107 PolarHBondContact NZ-OD1 3.33Å
83A98.9Very high98.8Very high0 Ų033.9 Ų33.90%018%0.18CC..EExtended strand (participates in β ladder)trans-139.6155.6-179.100000112.6P18 V20 L75 I80 F85 R105 I106 D107P18-A83 HydrophobicContact CG-CB 4Å; P18-A83 CarbonylContact O-C 3.57Å; P18-A83 WeakPolarHBondContact O-CA 2.98Å; P18-A83 WeakPolarHBondContact O-CB 3.3Å; V20-A83 HydrophobicContact CG2-CB 3.9Å; L75-A83 HydrophobicContact CD1-CB 4.44Å; L75-A83 HydrophobicContact CD2-CB 4.11Å; I80-A83 HydrophobicContact CG2-CB 4.21Å; A83-F85 HydrophobicContact CB-CE2 4.01Å; A83-F85 HydrophobicContact CB-CZ 4.39Å; A83-F85 WeakPolarHBondContact O-CD2 3.32Å; A83-R105 PolarHBondContact N-O 3.25Å; A83-I106 CarbonylContact O-C 3.44Å; A83-I106 WeakPolarHBondContact O-CA 3.42Å; A83-D107 PolarHBondContact O-N 3.29Å
84T98.9Very high98.8Very high4 Ų431.6 Ų31.63%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-80.6138.6163.6-76.50000109.5P18 I19 V20 I86 K108 L252P18-T84 PolarHBondContact O-N 3.31Å; I19-T84 CarbonylContact C-O 3.53Å; I19-T84 VanDerWaalsContact CA-O 3.31Å; I19-T84 WeakPolarHBondContact CA-O 3.35Å; I19-T84 HydrophobicContact CG1-CG2 4.02Å; V20-T84 PolarHBondContact N-O 3.09Å; T84-I86 HydrophobicContact CG2-CG1 4.44Å; T84-K108 CarbonylContact C-O 3.58Å; T84-K108 WeakPolarHBondContact CA-O 3.37Å; T84-K108 HydrophobicContact CG2-CB 3.96Å; T84-K108 WeakPolarHBondContact OG1-CB 3.47Å; T84-K108 PolarHBondContact OG1-N 3.03Å; T84-L252 HydrophobicContact CG2-CD2 3.94Å
85F98.9Very high98.8Very high1 Ų131.4 Ų31.40%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-117.3132.8-179.5-73.1-94.2000111.8V20 V22 L71 L75 A83 V95 L98 I106 K108 L109 V110V20-F85 HydrophobicContact CB-CD1 3.65Å; V20-F85 HydrophobicContact CB-CE1 3.68Å; V20-F85 HydrophobicContact CB-CG 4.39Å; V20-F85 HydrophobicContact CB-CZ 4.45Å; V20-F85 HydrophobicContact CG1-CD1 4Å; V20-F85 HydrophobicContact CG1-CE1 3.86Å; V20-F85 HydrophobicContact CG2-CD1 4.25Å; V20-F85 HydrophobicContact CG2-CE1 3.85Å; V20-F85 HydrophobicContact CG2-CZ 4.17Å; V22-F85 HydrophobicContact CG2-CD1 4.42Å; L71-F85 HydrophobicContact CB-CE1 4.09Å; L71-F85 HydrophobicContact CD1-CD1 4.24Å; L71-F85 HydrophobicContact CD1-CE1 4.03Å; L71-F85 HydrophobicContact CD2-CE1 4.39Å; L71-F85 HydrophobicContact CG-CE1 4.4Å; L75-F85 HydrophobicContact CD1-CE2 4.27Å; L75-F85 HydrophobicContact CD1-CZ 3.79Å; L75-F85 HydrophobicContact CD2-CZ 4.46Å; L75-F85 HydrophobicContact CG-CZ 4.26Å; A83-F85 HydrophobicContact CB-CE2 4.01Å; A83-F85 HydrophobicContact CB-CZ 4.39Å; A83-F85 WeakPolarHBondContact O-CD2 3.32Å; F85-V95 HydrophobicContact CB-CB 4.28Å; F85-V95 HydrophobicContact CB-CG1 3.44Å; F85-V95 VanDerWaalsContact CB-CG1 3.44Å; F85-V95 HydrophobicContact CB-CG2 3.81Å; F85-V95 HydrophobicContact CD1-CG2 4.01Å; F85-V95 HydrophobicContact CG-CG1 4.29Å; F85-V95 HydrophobicContact CG-CG2 4.29Å; F85-L98 HydrophobicContact CD1-CD2 4.19Å; F85-L98 HydrophobicContact CD2-CD2 4.04Å; F85-L98 HydrophobicContact CE1-CD2 3.73Å; F85-L98 HydrophobicContact CE2-CD2 3.55Å; F85-L98 HydrophobicContact CG-CD2 4.32Å; F85-L98 HydrophobicContact CZ-CD2 3.37Å; F85-I106 HydrophobicContact CD2-CB 4.47Å; F85-I106 HydrophobicContact CD2-CG1 4.11Å; F85-I106 HydrophobicContact CD2-CG2 4.21Å; F85-I106 HydrophobicContact CE2-CG1 4.11Å; F85-K108 PolarHBondContact N-O 3.45Å; F85-L109 WeakPolarHBondContact O-CA 3.5Å; F85-V110 PolarHBondContact O-N 3.14Å
86I98.9Very high98.8Very high0 Ų031.2 Ų31.20%017%0.165CC..EExtended strand (participates in β ladder)trans-126110.8175-51.7-176.7000108.1I19 V20 L21 V22 L32 L35 L39 T84 V110 I112 I248I19-I86 HydrophobicContact CG2-CD1 3.79Å; I19-I86 HydrophobicContact CG2-CG1 3.96Å; V20-I86 PolarHBondContact O-N 3.07Å; L21-I86 WeakPolarHBondContact CA-O 3.35Å; L21-I86 HydrophobicContact CD2-CB 3.69Å; L21-I86 HydrophobicContact CD2-CD1 3.96Å; L21-I86 HydrophobicContact CD2-CG1 4.12Å; L21-I86 HydrophobicContact CD2-CG2 4.24Å; V22-I86 PolarHBondContact N-O 3.17Å; L32-I86 HydrophobicContact CD2-CG2 4.3Å; L35-I86 HydrophobicContact CD1-CG2 4.3Å; L39-I86 HydrophobicContact CD1-CD1 3.74Å; T84-I86 HydrophobicContact CG2-CG1 4.44Å; I86-V110 WeakPolarHBondContact CA-O 3.43Å; I86-V110 HydrophobicContact CB-CB 4.19Å; I86-V110 HydrophobicContact CD1-CG2 4.41Å; I86-V110 HydrophobicContact CG1-CB 3.95Å; I86-V110 HydrophobicContact CG1-CG2 3.99Å; I86-V110 HydrophobicContact CG2-CB 3.98Å; I86-V110 HydrophobicContact CG2-CG1 4.1Å; I86-I112 HydrophobicContact CG2-CD1 3.82Å; I86-I112 HydrophobicContact CG2-CG1 4.31Å; I86-I248 HydrophobicContact CD1-CD1 4.17Å; I86-I248 HydrophobicContact CD1-CG2 3.98Å; I86-I248 HydrophobicContact CG2-CD1 4.45Å
87G98.9Very high98.8Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-119.3137.4-176.700000112.8V22 V110 I112V22-G87 WeakPolarHBondContact O-CA 3.33Å; G87-V110 PolarHBondContact N-O 2.96Å; G87-I112 PolarHBondContact O-N 3Å
88H98.9Very high98.8Very high4 Ų425 Ų252%0.01913%0.125CC..EExtended strand (participates in β ladder)trans-102.5134171.2171.8-115.6000110.9V22 G24 L32 M90 G91 G92 I112 H234 W235 H237V22-H88 PolarHBondContact O-N 3.01Å; G24-H88 VanDerWaalsContact CA-O 3.28Å; G24-H88 WeakPolarHBondContact CA-O 3.19Å; G24-H88 PolarHBondContact N-O 3.42Å; L32-H88 HydrophobicContact CD1-CB 4.12Å; H88-M90 PolarHBondContact O-N 3.33Å; H88-G91 WeakPolarHBondContact O-CA 3.41Å; H88-G91 PolarHBondContact O-N 2.89Å; H88-G92 PolarHBondContact O-N 2.84Å; H88-I112 HydrophobicContact CB-CB 4.28Å; H88-I112 PolarHBondContact CD2-O 3.27Å; H88-H234 AromaticContact CE1-CD2 3.95Å; H88-H234 AromaticContact CE1-NE2 3.7Å; H88-H234 AromaticContact NE2-CD2 3.93Å; H88-H234 AromaticContact NE2-CE1 3.77Å; H88-H234 AromaticContact NE2-NE2 3.68Å; H88-H234 PolarHBondContact NE2-O 3.45Å; H88-W235 AromaticContact CE1-CD1 3.7Å; H88-W235 AromaticContact CE1-NE1 3.95Å; H88-H237 AromaticContact CD2-CE1 3.67Å; H88-H237 AromaticContact CD2-ND1 3.89Å; H88-H237 AromaticContact CE1-CE1 3.85Å; H88-H237 AromaticContact CG-CE1 3.46Å; H88-H237 VanDerWaalsContact CG-CE1 3.46Å; H88-H237 AromaticContact CG-ND1 3.99Å; H88-H237 AromaticContact ND1-CE1 3.59Å; H88-H237 AromaticContact NE2-CE1 3.89Å
89S98.6Very high98.8Very high11 Ų1122.5 Ų22.58%0.07711%0.112CC..THydrogen-bonded Turntrans52.1-122.9172-167.20000112.2G91 G92 K93 I112 I114 H234S89-G91 PolarHBondContact O-N 3.3Å; S89-G92 WeakPolarHBondContact O-CA 3.32Å; S89-G92 PolarHBondContact O-N 3.09Å; S89-K93 PolarHBondContact O-N 3.43Å; S89-I112 PolarHBondContact N-O 3.23Å; S89-I112 VanDerWaalsContact N-O 3.09Å; S89-I114 WeakPolarHBondContact O-CG1 3.21Å; S89-H234 VanDerWaalsContact CB-NE2 3.33Å; S89-H234 WeakPolarHBondContact CB-NE2 3.48Å; S89-H234 PolarHBondContact OG-CE1 3.28Å; S89-H234 VanDerWaalsContact OG-CE1 3.3Å; S89-H234 PolarHBondContact OG-NE2 3.22Å
90M98.7Very high98.8Very high2 Ų216.3 Ų16.31%0.019%0.092CC..Hα-helixtrans-46.8-43.4171.7-177.7-167.676.800113.3L25 M50 M62 Y64 M67 H88 G92 K93 A94 I185L25-M90 HydrophobicContact CB-CB 4.39Å; L25-M90 HydrophobicContact CB-SD 4.35Å; L25-M90 HydrophobicContact CD1-SD 4.24Å; M50-M90 HydrophobicContact CB-CE 3.9Å; M50-M90 HydrophobicContact CG-CE 3.95Å; M62-M90 HydrophobicContact CE-CE 4.14Å; M62-M90 HydrophobicContact CE-SD 3.67Å; Y64-M90 HydrophobicContact CE1-CG 4.3Å; M67-M90 HydrophobicContact CE-CG 4.38Å; M67-M90 HydrophobicContact SD-CE 4.48Å; M67-M90 HydrophobicContact SD-CG 4.17Å; M67-M90 HydrophobicContact SD-SD 4.24Å; H88-M90 PolarHBondContact O-N 3.33Å; M90-G92 VanDerWaalsContact C-N 3.32Å; M90-G92 PolarHBondContact O-N 2.81Å; M90-K93 PolarHBondContact O-N 2.81Å; M90-A94 PolarHBondContact O-N 2.91Å; M90-I185 HydrophobicContact CB-CG2 4.48Å; M90-I185 HydrophobicContact CG-CG2 4.1Å; M90-I185 HydrophobicContact SD-CG2 4.08Å
91G98.9Very high98.8Very high0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-65.8-35177.100000112.6H23 H88 S89 A94 V95H23-G91 VanDerWaalsContact O-CA 3.24Å; H23-G91 WeakPolarHBondContact O-CA 3.38Å; H23-G91 PolarHBondContact O-N 3.2Å; H88-G91 WeakPolarHBondContact O-CA 3.41Å; H88-G91 PolarHBondContact O-N 2.89Å; S89-G91 PolarHBondContact O-N 3.3Å; G91-A94 PolarHBondContact O-N 2.86Å; G91-V95 VanDerWaalsContact O-CG2 3.27Å; G91-V95 WeakPolarHBondContact O-CG2 3.45Å; G91-V95 PolarHBondContact O-N 2.91Å
92G98.8Very high98.8Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-66.3-38.7171.700000112.3H88 S89 M90 V95 M96H88-G92 PolarHBondContact O-N 2.84Å; S89-G92 WeakPolarHBondContact O-CA 3.32Å; S89-G92 PolarHBondContact O-N 3.09Å; M90-G92 VanDerWaalsContact C-N 3.32Å; M90-G92 PolarHBondContact O-N 2.81Å; G92-V95 PolarHBondContact O-N 2.85Å; G92-M96 VanDerWaalsContact O-CG 3.3Å; G92-M96 WeakPolarHBondContact O-CG 3.38Å; G92-M96 PolarHBondContact O-N 3.12Å
93K98.9Very high98.8Very high1 Ų111.4 Ų11.40%0.0048%0.075CC..Hα-helixtrans-65.2-39.5171.6-86.9-180173.5-175.50113.1Y64 S89 M90 V95 M96 A97 I114 A115 V117 V186 G187 W188Y64-K93 HydrophobicContact CD1-CB 3.7Å; Y64-K93 HydrophobicContact CE1-CB 3.23Å; Y64-K93 HydrophobicContact CE1-CD 4.04Å; Y64-K93 HydrophobicContact CE1-CG 4.27Å; Y64-K93 HydrophobicContact CE2-CB 4.21Å; Y64-K93 HydrophobicContact CE2-CD 3.76Å; Y64-K93 HydrophobicContact CG-CB 4.36Å; Y64-K93 WeakPolarHBondContact OH-CD 3.49Å; S89-K93 PolarHBondContact O-N 3.43Å; M90-K93 PolarHBondContact O-N 2.81Å; K93-V95 VanDerWaalsContact C-N 3.32Å; K93-V95 PolarHBondContact O-N 2.83Å; K93-M96 HydrophobicContact CB-CE 4.24Å; K93-M96 HydrophobicContact CG-CE 3.64Å; K93-M96 PolarHBondContact O-N 2.83Å; K93-A97 WeakPolarHBondContact O-CB 3.44Å; K93-A97 PolarHBondContact O-N 3.47Å; K93-I114 HydrophobicContact CD-CD1 4.16Å; K93-I114 HydrophobicContact CD-CG1 4.26Å; K93-I114 HydrophobicContact CG-CD1 4.21Å; K93-I114 HydrophobicContact CG-CG1 3.77Å; K93-A115 WeakPolarHBondContact CE-O 3.39Å; K93-V117 WeakPolarHBondContact CE-O 3.29Å; K93-V117 PolarHBondContact NZ-O 3.48Å; K93-V186 PolarHBondContact NZ-O 3.33Å; K93-G187 PolarHBondContact NZ-O 2.82Å; K93-W188 HydrophobicContact CB-CE3 4.07Å; K93-W188 HydrophobicContact CB-CZ3 3.65Å; K93-W188 HydrophobicContact CD-CE3 3.81Å; K93-W188 HydrophobicContact CD-CZ3 4.27Å; K93-W188 HydrophobicContact CG-CE3 3.75Å; K93-W188 HydrophobicContact CG-CZ3 3.74Å; K93-W188 WeakPolarHBondContact O-CH2 3.33Å; K93-W188 VanDerWaalsContact O-CZ3 3.32Å; K93-W188 WeakPolarHBondContact O-CZ3 3.36Å
94A98.9Very high98.8Very high0 Ų018.2 Ų18.20%011%0.111CC..Hα-helixtrans-61.1-42.1173.100000111.9M50 M67 M90 G91 A97 L98M50-A94 HydrophobicContact CE-CB 3.76Å; M67-A94 HydrophobicContact CB-CB 3.84Å; M67-A94 HydrophobicContact SD-CB 4.42Å; M90-A94 PolarHBondContact O-N 2.91Å; G91-A94 PolarHBondContact O-N 2.86Å; A94-A97 PolarHBondContact O-N 3.37Å; A94-L98 PolarHBondContact O-N 3.12Å
95V98.9Very high98.8Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-65.4-39.91751680000111.9V22 L71 F85 G91 G92 K93 L98 L109V22-V95 HydrophobicContact CB-CG2 4.13Å; V22-V95 HydrophobicContact CG2-CG2 3.69Å; L71-V95 HydrophobicContact CD1-CG2 4.2Å; F85-V95 HydrophobicContact CB-CB 4.28Å; F85-V95 HydrophobicContact CB-CG1 3.44Å; F85-V95 VanDerWaalsContact CB-CG1 3.44Å; F85-V95 HydrophobicContact CB-CG2 3.81Å; F85-V95 HydrophobicContact CD1-CG2 4.01Å; F85-V95 HydrophobicContact CG-CG1 4.29Å; F85-V95 HydrophobicContact CG-CG2 4.29Å; G91-V95 VanDerWaalsContact O-CG2 3.27Å; G91-V95 WeakPolarHBondContact O-CG2 3.45Å; G91-V95 PolarHBondContact O-N 2.91Å; G92-V95 PolarHBondContact O-N 2.85Å; K93-V95 VanDerWaalsContact C-N 3.32Å; K93-V95 PolarHBondContact O-N 2.83Å; V95-L98 VanDerWaalsContact O-CB 3.32Å; V95-L98 WeakPolarHBondContact O-CB 3.34Å; V95-L98 PolarHBondContact O-N 3.29Å; V95-L109 HydrophobicContact CG1-CD1 3.64Å; V95-L109 HydrophobicContact CG1-CD2 4.44Å; V95-L109 HydrophobicContact CG1-CG 3.61Å
96M98.9Very high98.8Very high0 Ų020.4 Ų20.40%012%0.12CC..Hα-helixtrans-65.3-40.4174-71.5-175-63.900111.5G92 K93 L98 T99 A111 I114 P116 W188 I191 F200 F221G92-M96 VanDerWaalsContact O-CG 3.3Å; G92-M96 WeakPolarHBondContact O-CG 3.38Å; G92-M96 PolarHBondContact O-N 3.12Å; K93-M96 HydrophobicContact CB-CE 4.24Å; K93-M96 HydrophobicContact CG-CE 3.64Å; K93-M96 PolarHBondContact O-N 2.83Å; M96-L98 PolarHBondContact O-N 3.08Å; M96-T99 PolarHBondContact O-N 2.77Å; M96-T99 VanDerWaalsContact O-N 3.17Å; M96-T99 PolarHBondContact O-OG1 3Å; M96-A111 HydrophobicContact SD-CB 4.49Å; M96-I114 HydrophobicContact CE-CG1 4.32Å; M96-I114 HydrophobicContact CE-CG2 4.2Å; M96-P116 HydrophobicContact CE-CB 3.84Å; M96-P116 HydrophobicContact SD-CB 3.75Å; M96-P116 HydrophobicContact SD-CG 4.02Å; M96-W188 HydrophobicContact CB-CH2 3.77Å; M96-W188 HydrophobicContact CB-CZ2 4.27Å; M96-I191 WeakPolarHBondContact O-CD1 3.42Å; M96-F200 HydrophobicContact SD-CE1 3.71Å; M96-F200 HydrophobicContact SD-CZ 3.84Å; M96-F221 HydrophobicContact CB-CE2 3.93Å; M96-F221 HydrophobicContact CB-CZ 3.63Å; M96-F221 HydrophobicContact CG-CE1 4.36Å; M96-F221 HydrophobicContact CG-CE2 3.67Å; M96-F221 HydrophobicContact CG-CZ 3.44Å; M96-F221 VanDerWaalsContact CG-CZ 3.44Å; M96-F221 HydrophobicContact SD-CD2 4.31Å; M96-F221 HydrophobicContact SD-CE2 3.58Å; M96-F221 VanDerWaalsContact SD-CE2 3.58Å; M96-F221 HydrophobicContact SD-CZ 4.01Å
97A98.9Very high98.8Very high8 Ų823 Ų237%0.06613%0.134CC..Hα-helixtrans-66.5-27.1176.800000112.8A68 K93 A94 T99 A100 L101 W188A68-A97 HydrophobicContact CB-CB 4.17Å; K93-A97 WeakPolarHBondContact O-CB 3.44Å; K93-A97 PolarHBondContact O-N 3.47Å; A94-A97 PolarHBondContact O-N 3.37Å; A97-T99 PolarHBondContact O-N 3.22Å; A97-A100 PolarHBondContact O-N 3.23Å; A97-L101 PolarHBondContact O-N 3.04Å; A97-W188 HydrophobicContact CB-CH2 4.05Å; A97-W188 HydrophobicContact CB-CZ3 4.31Å
98L98.9Very high98.8Very high1 Ų124.5 Ų24.51%0.00514%0.14CC..Hα-helixtrans-60.9-30.1174.1-173.664.5000112.4A68 L71 V72 F85 A94 V95 M96 A100 L101 A102 I106A68-L98 HydrophobicContact CB-CB 4.17Å; A68-L98 HydrophobicContact CB-CD1 4.3Å; L71-L98 HydrophobicContact CB-CD1 4.49Å; L71-L98 HydrophobicContact CB-CD2 4.24Å; L71-L98 HydrophobicContact CD1-CD2 4.15Å; V72-L98 HydrophobicContact CG2-CD1 3.49Å; V72-L98 VanDerWaalsContact CG2-CD1 3.49Å; F85-L98 HydrophobicContact CD1-CD2 4.19Å; F85-L98 HydrophobicContact CD2-CD2 4.04Å; F85-L98 HydrophobicContact CE1-CD2 3.73Å; F85-L98 HydrophobicContact CE2-CD2 3.55Å; F85-L98 HydrophobicContact CG-CD2 4.32Å; F85-L98 HydrophobicContact CZ-CD2 3.37Å; A94-L98 PolarHBondContact O-N 3.12Å; V95-L98 VanDerWaalsContact O-CB 3.32Å; V95-L98 WeakPolarHBondContact O-CB 3.34Å; V95-L98 PolarHBondContact O-N 3.29Å; M96-L98 PolarHBondContact O-N 3.08Å; L98-A100 PolarHBondContact O-N 3.13Å; L98-L101 PolarHBondContact O-N 3.49Å; L98-A102 HydrophobicContact CD1-CB 4.14Å; L98-A102 CarbonylContact O-C 3.58Å; L98-A102 PolarHBondContact O-N 3.32Å; L98-I106 HydrophobicContact CB-CD1 3.98Å; L98-I106 HydrophobicContact CD2-CD1 3.95Å; L98-I106 HydrophobicContact CD2-CG1 3.79Å; L98-I106 HydrophobicContact CG-CD1 3.75Å; L98-I106 HydrophobicContact CG-CG1 3.99Å
99T98.9Very high98.8Very high9 Ų924.3 Ų24.36%0.05514%0.139CC..Hα-helixtrans-66.6-27.4178.772.40000112.3M96 A97 P103 I106 L109 I191 W194 F221M96-T99 PolarHBondContact O-N 2.77Å; M96-T99 VanDerWaalsContact O-N 3.17Å; M96-T99 PolarHBondContact O-OG1 3Å; A97-T99 PolarHBondContact O-N 3.22Å; T99-P103 WeakPolarHBondContact O-CB 3.48Å; T99-P103 WeakPolarHBondContact O-CD 3.39Å; T99-I106 HydrophobicContact CG2-CD1 3.56Å; T99-L109 HydrophobicContact CG2-CD1 3.52Å; T99-I191 WeakPolarHBondContact OG1-CD1 3.46Å; T99-W194 HydrophobicContact CG2-CB 4.37Å; T99-W194 HydrophobicContact CG2-CD2 3.79Å; T99-W194 HydrophobicContact CG2-CE3 4.21Å; T99-W194 HydrophobicContact CG2-CG 3.89Å; T99-F221 HydrophobicContact CG2-CE1 4.09Å; T99-F221 HydrophobicContact CG2-CZ 4.34Å
100A98.8Very high98.8Very high50 Ų5023.8 Ų23.841%0.41314%0.136SC..Hα-helixtrans-82.3-32.9175.100000112.4A97 L98 I191A97-A100 PolarHBondContact O-N 3.23Å; L98-A100 PolarHBondContact O-N 3.13Å; A100-I191 HydrophobicContact CB-CB 3.91Å; A100-I191 HydrophobicContact CB-CG2 3.75Å
101L98.7Very high98.8Very high78 Ų7823.7 Ų23.741%0.40814%0.135SC..Hα-helixtrans-84.4-46.4-174.5-178.464000112.9A68 Q69 V72 A97 L98A68-L101 HydrophobicContact CB-CB 4.41Å; A68-L101 HydrophobicContact CB-CD2 3.73Å; Q69-L101 HydrophobicContact CB-CD2 4.02Å; V72-L101 HydrophobicContact CG2-CD2 4.39Å; A97-L101 PolarHBondContact O-N 3.04Å; L98-L101 PolarHBondContact O-N 3.49Å
102A98.7Very high98.8Very high19 Ų1923.7 Ų23.716%0.15714%0.135CC..  trans-149.962.9-171.600000111.2V72 L98 D104 R105V72-A102 HydrophobicContact CG2-CB 3.74Å; L98-A102 HydrophobicContact CD1-CB 4.14Å; L98-A102 CarbonylContact O-C 3.58Å; L98-A102 PolarHBondContact O-N 3.32Å; A102-D104 PolarHBondContact O-N 2.94Å; A102-D104 VanDerWaalsContact O-N 3.17Å; A102-R105 HydrophobicContact CB-CB 4.38Å; A102-R105 HydrophobicContact CB-CG 3.7Å; A102-R105 WeakPolarHBondContact O-CB 3.46Å; A102-R105 PolarHBondContact O-N 3.34Å
103P98.7Very high98.8Very high52 Ų5223.7 Ų23.734%0.33814%0.135SC..G310 helixtrans-56.5-34.2-174.920.9-32.1000113.4T99 R105 I106T99-P103 WeakPolarHBondContact O-CB 3.48Å; T99-P103 WeakPolarHBondContact O-CD 3.39Å; P103-R105 PolarHBondContact O-N 2.94Å; P103-R105 VanDerWaalsContact O-N 3.07Å; P103-I106 PolarHBondContact O-N 3.44Å; P103-I106 VanDerWaalsContact O-N 3.09Å
104D98.6Very high98.8Very high142 Ų14223.8 Ų23.876%0.75914%0.136SC*.G310 helixtrans-64.5-13.7-179.6-60.9-36.3000113.6A102A102-D104 PolarHBondContact O-N 2.94Å; A102-D104 VanDerWaalsContact O-N 3.17Å
105R98.8Very high98.8Very high42 Ų4223.8 Ų23.816%0.15814%0.136CC..G310 helixtrans-89.6-5.6179.2-50.2-57.5-62.8-83.32.8113L75 D76 I80 D81 K82 A83 A102 P103L75-R105 HydrophobicContact CD1-CB 4.18Å; D76-R105 IonicContact OD1-CZ 3.21Å; D76-R105 IonicContact OD1-NH1 3.58Å; D76-R105 PolarHBondContact OD1-NH1 2.73Å; D76-R105 IonicContact OD1-NH2 3.58Å; D76-R105 PolarHBondContact OD1-NH2 2.88Å; D76-R105 IonicContact OD2-NH1 3.97Å; I80-R105 PolarHBondContact O-NH2 2.81Å; D81-R105 WeakPolarHBondContact O-CD 3.48Å; D81-R105 PolarHBondContact O-NE 3.44Å; K82-R105 WeakPolarHBondContact CA-O 3.45Å; A83-R105 PolarHBondContact N-O 3.25Å; A102-R105 HydrophobicContact CB-CB 4.38Å; A102-R105 HydrophobicContact CB-CG 3.7Å; A102-R105 WeakPolarHBondContact O-CB 3.46Å; A102-R105 PolarHBondContact O-N 3.34Å; P103-R105 PolarHBondContact O-N 2.94Å; P103-R105 VanDerWaalsContact O-N 3.07Å
106I98.9Very high98.8Very high10 Ų1023.8 Ų23.85%0.05114%0.136CC..EExtended strand (participates in β ladder)trans-109.6128.7-175.1-53.8175.4000110.1A83 F85 L98 T99 P103 W194A83-I106 CarbonylContact O-C 3.44Å; A83-I106 WeakPolarHBondContact O-CA 3.42Å; F85-I106 HydrophobicContact CD2-CB 4.47Å; F85-I106 HydrophobicContact CD2-CG1 4.11Å; F85-I106 HydrophobicContact CD2-CG2 4.21Å; F85-I106 HydrophobicContact CE2-CG1 4.11Å; L98-I106 HydrophobicContact CB-CD1 3.98Å; L98-I106 HydrophobicContact CD2-CD1 3.95Å; L98-I106 HydrophobicContact CD2-CG1 3.79Å; L98-I106 HydrophobicContact CG-CD1 3.75Å; L98-I106 HydrophobicContact CG-CG1 3.99Å; T99-I106 HydrophobicContact CG2-CD1 3.56Å; P103-I106 PolarHBondContact O-N 3.44Å; P103-I106 VanDerWaalsContact O-N 3.09Å; I106-W194 HydrophobicContact CB-CZ2 4.39Å; I106-W194 HydrophobicContact CG2-CH2 4.13Å; I106-W194 HydrophobicContact CG2-CZ2 3.86Å
107D98.7Very high98.8Very high55 Ų5524 Ų2429%0.29414%0.137SC..EExtended strand (participates in β ladder)trans-92-62.9171.7-170.143.4000111.6S17 K82 A83S17-D107 WeakPolarHBondContact CB-OD2 3.38Å; S17-D107 PolarHBondContact OG-OD2 2.99Å; K82-D107 HydrophobicContact CD-CB 4.17Å; K82-D107 WeakPolarHBondContact CE-OD1 3.37Å; K82-D107 HydrophobicContact CG-CB 4.09Å; K82-D107 IonicContact NZ-OD1 3.04Å; K82-D107 PolarHBondContact NZ-OD1 3.33Å; A83-D107 PolarHBondContact O-N 3.29Å
108K98.8Very high98.8Very high30 Ų3026.1 Ų26.113%0.1315%0.148CC..EExtended strand (participates in β ladder)trans-130.7156174.5-66.6-171.4176.7-172.40110.9T84 F85 Y251 L252 D254T84-K108 CarbonylContact C-O 3.58Å; T84-K108 WeakPolarHBondContact CA-O 3.37Å; T84-K108 HydrophobicContact CG2-CB 3.96Å; T84-K108 WeakPolarHBondContact OG1-CB 3.47Å; T84-K108 PolarHBondContact OG1-N 3.03Å; F85-K108 PolarHBondContact N-O 3.45Å; K108-Y251 HydrophobicContact CB-CE1 3.69Å; K108-Y251 WeakPolarHBondContact CB-OH 3.32Å; K108-Y251 HydrophobicContact CD-CE1 4.16Å; K108-Y251 HydrophobicContact CG-CE1 4.32Å; K108-Y251 PolarHBondContact NZ-O 3.15Å; K108-L252 HydrophobicContact CB-CD2 4.27Å; K108-L252 HydrophobicContact CD-CD2 3.76Å; K108-L252 PolarHBondContact NZ-O 2.85Å; K108-D254 PolarHBondContact NZ-OXT 3.3Å
109L98.9Very high98.7Very high0 Ų026.7 Ų26.70%015%0.15CC..EExtended strand (participates in β ladder)trans-129.5128.1-176.2-172.7153.4000111.2F85 V95 T99 A111 W194 A198 L199 F221 Y251F85-L109 WeakPolarHBondContact O-CA 3.5Å; V95-L109 HydrophobicContact CG1-CD1 3.64Å; V95-L109 HydrophobicContact CG1-CD2 4.44Å; V95-L109 HydrophobicContact CG1-CG 3.61Å; T99-L109 HydrophobicContact CG2-CD1 3.52Å; L109-A111 HydrophobicContact CD2-CB 4.24Å; L109-W194 HydrophobicContact CB-CH2 3.75Å; L109-W194 HydrophobicContact CB-CZ3 3.65Å; L109-W194 HydrophobicContact CD1-CZ3 4.24Å; L109-W194 HydrophobicContact CG-CZ3 4.49Å; L109-A198 HydrophobicContact CD2-CB 4.21Å; L109-L199 PolarHBondContact O-N 3.44Å; L109-F221 HydrophobicContact CD1-CE1 4.07Å; L109-Y251 PolarHBondContact N-OH 3.35Å; L109-Y251 VanDerWaalsContact O-CE1 3.29Å; L109-Y251 WeakPolarHBondContact O-CE1 3.31Å; L109-Y251 PolarHBondContact O-OH 3.3Å
110V99Very high98.5Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-123.2123.2170.4-175.20000110.1F85 I86 G87 I112 L199 I201 I248 Y251F85-V110 PolarHBondContact O-N 3.14Å; I86-V110 WeakPolarHBondContact CA-O 3.43Å; I86-V110 HydrophobicContact CB-CB 4.19Å; I86-V110 HydrophobicContact CD1-CG2 4.41Å; I86-V110 HydrophobicContact CG1-CB 3.95Å; I86-V110 HydrophobicContact CG1-CG2 3.99Å; I86-V110 HydrophobicContact CG2-CB 3.98Å; I86-V110 HydrophobicContact CG2-CG1 4.1Å; G87-V110 PolarHBondContact N-O 2.96Å; V110-I112 HydrophobicContact CG1-CG1 4.19Å; V110-L199 CarbonylContact C-O 3.56Å; V110-L199 VanDerWaalsContact CA-O 3.29Å; V110-L199 WeakPolarHBondContact CA-O 3.42Å; V110-L199 HydrophobicContact CG1-CB 4.47Å; V110-L199 HydrophobicContact CG1-CD2 4.05Å; V110-L199 HydrophobicContact CG1-CG 4.31Å; V110-L199 HydrophobicContact CG2-CB 4.22Å; V110-L199 HydrophobicContact CG2-CD2 4.13Å; V110-I201 HydrophobicContact CG1-CD1 3.67Å; V110-I201 HydrophobicContact CG1-CG1 4.13Å; V110-I248 HydrophobicContact CG1-CG1 4.16Å; V110-I248 HydrophobicContact CG2-CG1 4.46Å; V110-Y251 HydrophobicContact CG2-CD1 3.83Å; V110-Y251 HydrophobicContact CG2-CE1 3.85Å
111A98.9Very high98.3Very high0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-110.7113.7174.100000110.2M96 L109 I114 L199 F200 I201M96-A111 HydrophobicContact SD-CB 4.49Å; L109-A111 HydrophobicContact CD2-CB 4.24Å; A111-I114 HydrophobicContact CB-CG2 3.86Å; A111-L199 PolarHBondContact N-O 3.26Å; A111-F200 HydrophobicContact CB-CD1 3.71Å; A111-F200 HydrophobicContact CB-CE1 3.72Å; A111-F200 HydrophobicContact CB-CG 4.35Å; A111-F200 HydrophobicContact CB-CZ 4.37Å; A111-F200 CarbonylContact O-C 3.23Å; A111-F200 WeakPolarHBondContact O-CA 3.47Å; A111-I201 PolarHBondContact O-N 3.26Å
112I98.9Very high98.1Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-94.6117.8-178.7-50.7176.6000109.1L35 I86 G87 H88 S89 V110 I114 V236 V244L35-I112 HydrophobicContact CD1-CD1 3.75Å; I86-I112 HydrophobicContact CG2-CD1 3.82Å; I86-I112 HydrophobicContact CG2-CG1 4.31Å; G87-I112 PolarHBondContact O-N 3Å; H88-I112 HydrophobicContact CB-CB 4.28Å; H88-I112 PolarHBondContact CD2-O 3.27Å; S89-I112 PolarHBondContact N-O 3.23Å; S89-I112 VanDerWaalsContact N-O 3.09Å; V110-I112 HydrophobicContact CG1-CG1 4.19Å; I112-I114 PolarHBondContact O-N 2.94Å; I112-V236 HydrophobicContact CG2-CB 4.04Å; I112-V236 HydrophobicContact CG2-CG2 4.19Å; I112-V244 HydrophobicContact CD1-CG1 4.24Å
113D98.8Very high97.8Very high0 Ų038.5 Ų38.50%019%0.187CC..SBendtrans46.653.5176.4-156.758.9000115.3I201 P202 G203 S206 Y208 H234 V236D113-I201 PolarHBondContact N-O 3.31Å; D113-P202 WeakPolarHBondContact OD1-CA 3.34Å; D113-G203 PolarHBondContact OD1-N 2.86Å; D113-S206 VanDerWaalsContact CG-OG 3.27Å; D113-S206 WeakPolarHBondContact OD1-CB 3.33Å; D113-S206 PolarHBondContact OD1-OG 3.16Å; D113-S206 VanDerWaalsContact OD2-CB 3.29Å; D113-S206 WeakPolarHBondContact OD2-CB 3.35Å; D113-S206 PolarHBondContact OD2-OG 2.94Å; D113-Y208 VanDerWaalsContact O-CB 3.31Å; D113-Y208 WeakPolarHBondContact O-CB 3.36Å; D113-H234 PolarHBondContact O-CE1 3.09Å; D113-H234 VanDerWaalsContact OD2-CA 3.32Å; D113-H234 WeakPolarHBondContact OD2-CA 3.38Å; D113-H234 IonicContact OD2-CE1 2.77Å; D113-H234 IonicContact OD2-CG 2.73Å; D113-H234 IonicContact OD2-ND1 3.22Å; D113-H234 PolarHBondContact OD2-ND1 3Å; D113-V236 HydrophobicContact CB-CG2 3.74Å
114I98.8Very high97.6Very high3 Ų337 Ų372%0.01518%0.175CC..  trans-155.4135.7-179.6-168.274.9000111.7S89 K93 M96 A111 I112 Y119 F200 Y208 V209S89-I114 WeakPolarHBondContact O-CG1 3.21Å; K93-I114 HydrophobicContact CD-CD1 4.16Å; K93-I114 HydrophobicContact CD-CG1 4.26Å; K93-I114 HydrophobicContact CG-CD1 4.21Å; K93-I114 HydrophobicContact CG-CG1 3.77Å; M96-I114 HydrophobicContact CE-CG1 4.32Å; M96-I114 HydrophobicContact CE-CG2 4.2Å; A111-I114 HydrophobicContact CB-CG2 3.86Å; I112-I114 PolarHBondContact O-N 2.94Å; I114-Y119 HydrophobicContact CD1-CE2 3.72Å; I114-Y119 WeakPolarHBondContact CD1-OH 3.35Å; I114-F200 WeakPolarHBondContact O-CD1 3.39Å; I114-Y208 HydrophobicContact CD1-CD1 4.08Å; I114-V209 VanDerWaalsContact N-CG2 3.33Å
115A98.8Very high97.5Very high0 Ų033.5 Ų33.50%016%0.156CC..  trans-104.4151.6167.500000111.7K93 V117 Y119 Y208 V209 Y213 L217K93-A115 WeakPolarHBondContact CE-O 3.39Å; A115-V117 HydrophobicContact CB-CG1 4.41Å; A115-V117 HydrophobicContact CB-CG2 4.01Å; A115-V117 PolarHBondContact O-N 2.62Å; A115-Y119 PolarHBondContact N-OH 2.99Å; A115-Y119 PolarHBondContact O-OH 3.07Å; A115-Y119 VanDerWaalsContact O-OH 3.09Å; A115-Y208 WeakPolarHBondContact CB-O 3.49Å; A115-Y208 PolarHBondContact N-O 2.66Å; A115-V209 HydrophobicContact CB-CG1 4.42Å; A115-Y213 HydrophobicContact CB-CG 4.5Å; A115-L217 HydrophobicContact CB-CD1 4.31Å
116P98.8Very high97.5Very high0 Ų038 Ų380%018%0.179CC..SBendtrans-7967.5175.933.6-35.6000111M96 W188 L217 Q220 F221M96-P116 HydrophobicContact CE-CB 3.84Å; M96-P116 HydrophobicContact SD-CB 3.75Å; M96-P116 HydrophobicContact SD-CG 4.02Å; P116-W188 HydrophobicContact CB-CD2 4.35Å; P116-W188 HydrophobicContact CB-CH2 4.48Å; P116-W188 HydrophobicContact CB-CZ2 3.62Å; P116-W188 PolarHBondContact O-NE1 2.73Å; P116-W188 VanDerWaalsContact O-NE1 3.07Å; P116-L217 HydrophobicContact CG-CB 4.4Å; P116-L217 HydrophobicContact CG-CG 4.45Å; P116-Q220 HydrophobicContact CG-CB 4.39Å; P116-Q220 PolarHBondContact O-NE2 3.07Å; P116-F221 HydrophobicContact CB-CE2 4.31Å; P116-F221 HydrophobicContact CG-CD2 4.09Å; P116-F221 HydrophobicContact CG-CE2 4.14Å
117V98.7Very high97.4Very high4 Ų438.5 Ų38.52%0.02418%0.181CC..SBendtrans-139.1154.1-177.2-62.40000111.7K93 A115 Y119 W188 Y213 D216K93-V117 WeakPolarHBondContact CE-O 3.29Å; K93-V117 PolarHBondContact NZ-O 3.48Å; A115-V117 HydrophobicContact CB-CG1 4.41Å; A115-V117 HydrophobicContact CB-CG2 4.01Å; A115-V117 PolarHBondContact O-N 2.62Å; V117-Y119 HydrophobicContact CG2-CD1 3.89Å; V117-Y119 HydrophobicContact CG2-CE1 3.57Å; V117-Y119 HydrophobicContact CG2-CE2 4.39Å; V117-Y119 HydrophobicContact CG2-CG 4.43Å; V117-W188 WeakPolarHBondContact O-CB 3.23Å; V117-Y213 HydrophobicContact CB-CD1 4.23Å; V117-Y213 HydrophobicContact CG1-CD1 4.09Å; V117-Y213 HydrophobicContact CG1-CG 4.31Å; V117-Y213 HydrophobicContact CG2-CD1 3.74Å; V117-Y213 HydrophobicContact CG2-CD2 4.39Å; V117-Y213 HydrophobicContact CG2-CE1 4.07Å; V117-Y213 HydrophobicContact CG2-CG 3.92Å; V117-D216 HydrophobicContact CG1-CB 3.71Å
118D98.2Very high97.4Very high54 Ų5435.9 Ų35.929%0.28917%0.168SC..  trans-77118.9162.3-174-20000107.7H120 G187 W188D118-H120 PolarHBondContact O-CD2 3.38Å; D118-H120 PolarHBondContact O-N 2.93Å; D118-H120 IonicContact OD1-CE1 3.82Å; D118-H120 IonicContact OD1-CG 3.37Å; D118-H120 PolarHBondContact OD1-N 3.47Å; D118-H120 IonicContact OD1-ND1 2.78Å; D118-H120 PolarHBondContact OD1-ND1 3.03Å; D118-H120 IonicContact OD2-CE1 3.18Å; D118-H120 PolarHBondContact OD2-CE1 3.33Å; D118-H120 IonicContact OD2-ND1 3.78Å; D118-H120 PolarHBondContact OD2-ND1 3.21Å; D118-H120 IonicContact OD2-NE2 2.77Å; D118-G187 VanDerWaalsContact CG-CA 3.45Å; D118-G187 WeakPolarHBondContact OD1-CA 3.49Å; D118-W188 HydrophobicContact CB-CB 4.43Å
119Y97.7Very high97.3Very high12 Ų1236.6 Ų36.65%0.04718%0.179CC..  trans-74.8-15-178.5-67.7-72.4000113.1I114 A115 V117 V121 R123 V186 Y208 Y213I114-Y119 HydrophobicContact CD1-CE2 3.72Å; I114-Y119 WeakPolarHBondContact CD1-OH 3.35Å; A115-Y119 PolarHBondContact N-OH 2.99Å; A115-Y119 PolarHBondContact O-OH 3.07Å; A115-Y119 VanDerWaalsContact O-OH 3.09Å; V117-Y119 HydrophobicContact CG2-CD1 3.89Å; V117-Y119 HydrophobicContact CG2-CE1 3.57Å; V117-Y119 HydrophobicContact CG2-CE2 4.39Å; V117-Y119 HydrophobicContact CG2-CG 4.43Å; Y119-V121 WeakPolarHBondContact O-CG2 3.25Å; Y119-V121 PolarHBondContact O-N 2.85Å; Y119-R123 VanDerWaalsContact CD1-NH2 3.32Å; Y119-V186 WeakPolarHBondContact CD2-O 3.38Å; Y119-V186 PolarHBondContact N-O 2.91Å; Y119-V186 VanDerWaalsContact N-O 3.17Å; Y119-Y208 HydrophobicContact CE1-CD1 4.16Å; Y119-Y208 HydrophobicContact CE2-CD1 4.07Å; Y119-Y208 HydrophobicContact CE2-CE1 4.4Å; Y119-Y208 AromaticContact CZ-CD1 3.75Å; Y119-Y208 PolarHBondContact OH-O 2.62Å; Y119-Y213 HydrophobicContact CD1-CE1 4.48Å; Y119-Y213 AromaticContact CD1-CE2 3.97Å; Y119-Y213 HydrophobicContact CD1-CE2 3.97Å; Y119-Y213 AromaticContact CD1-CZ 3.81Å; Y119-Y213 HydrophobicContact CE1-CD2 4.25Å; Y119-Y213 AromaticContact CE1-CE2 3.82Å; Y119-Y213 HydrophobicContact CE1-CE2 3.82Å
120H95.3Very high97.3Very high152 Ų15236.6 Ų36.670%0.70418%0.179SC*.  trans50.330.3179.7-62.6-55000114.7D118D118-H120 PolarHBondContact O-CD2 3.38Å; D118-H120 PolarHBondContact O-N 2.93Å; D118-H120 IonicContact OD1-CE1 3.82Å; D118-H120 IonicContact OD1-CG 3.37Å; D118-H120 PolarHBondContact OD1-N 3.47Å; D118-H120 IonicContact OD1-ND1 2.78Å; D118-H120 PolarHBondContact OD1-ND1 3.03Å; D118-H120 IonicContact OD2-CE1 3.18Å; D118-H120 PolarHBondContact OD2-CE1 3.33Å; D118-H120 IonicContact OD2-ND1 3.78Å; D118-H120 PolarHBondContact OD2-ND1 3.21Å; D118-H120 IonicContact OD2-NE2 2.77Å
121V94.6Very high97.3Very high67 Ų6736.6 Ų36.641%0.40618%0.179SC..SBendtrans-139.7151.8179.6-66.60000111.4Y119 R123Y119-V121 WeakPolarHBondContact O-CG2 3.25Å; Y119-V121 PolarHBondContact O-N 2.85Å; V121-R123 HydrophobicContact CG2-CG 3.73Å; V121-R123 VanDerWaalsContact CG2-NE 3.26Å
122R93.9Very high97.2Very high113 Ų11339.4 Ų39.443%0.42619%0.194SC..  trans-92.8120166.1-60.5-172.264.2883.7109.1D125 Y182R122-D125 IonicContact CZ-OD1 3.49Å; R122-D125 IonicContact NE-OD1 2.78Å; R122-D125 PolarHBondContact NE-OD1 3.33Å; R122-D125 IonicContact NE-OD2 2.77Å; R122-D125 PolarHBondContact NE-OD2 2.91Å; R122-D125 VanDerWaalsContact NE-OD2 3.14Å; R122-D125 IonicContact NH2-OD1 3.36Å; R122-D125 PolarHBondContact NH2-OD1 3.39Å; R122-Y182 HydrophobicContact CB-CE1 4.33Å; R122-Y182 HydrophobicContact CG-CE1 4.26Å
123R92.1Very high97.2Very high73 Ų7340.5 Ų40.528%0.27520%0.203SC..  trans-114.5-5.4-177.2-66.2-177.2-173.7179.93.2114Y119 V121 Y182 Y208Y119-R123 VanDerWaalsContact CD1-NH2 3.32Å; V121-R123 HydrophobicContact CG2-CG 3.73Å; V121-R123 VanDerWaalsContact CG2-NE 3.26Å; R123-Y182 PolarHBondContact N-OH 3.18Å; R123-Y208 VanDerWaalsContact NH1-CD1 3.28Å; R123-Y208 VanDerWaalsContact NH1-CD2 3.32Å
124H95.5Very high97.2Very high20 Ų2040.6 Ų40.69%0.09320%0.203CC..  trans-126.815.1-166.5-61.386.9000112.8F26 I127 F128 Y182F26-H124 HydrophobicContact CE2-CB 4.22Å; F26-H124 AromaticContact CE2-CD2 3.66Å; H124-I127 HydrophobicContact CB-CB 4.33Å; H124-I127 WeakPolarHBondContact O-CB 3.37Å; H124-I127 PolarHBondContact O-N 3.03Å; H124-F128 HydrophobicContact CB-CD2 4.15Å; H124-F128 HydrophobicContact CB-CE2 4.18Å; H124-F128 WeakPolarHBondContact O-CD2 3.24Å; H124-F128 PolarHBondContact O-N 2.97Å; H124-Y182 HydrophobicContact CB-CE2 3.72Å; H124-Y182 VanDerWaalsContact CB-OH 3.25Å; H124-Y182 WeakPolarHBondContact CB-OH 3.36Å; H124-Y182 AromaticContact CG-CE2 3.84Å; H124-Y182 VanDerWaalsContact CG-OH 3.3Å; H124-Y182 PolarHBondContact N-OH 3.34Å; H124-Y182 AromaticContact ND1-CE2 3.54Å; H124-Y182 AromaticContact ND1-CZ 3.54Å; H124-Y182 PolarHBondContact ND1-OH 2.8Å
125D96.4Very high97.1Very high69 Ų6943.7 Ų43.737%0.36923%0.225SC..Hα-helixtrans-63.8-43.5-176.6-72-11.9000112.3R122 I127 F128 A129R122-D125 IonicContact CZ-OD1 3.49Å; R122-D125 IonicContact NE-OD1 2.78Å; R122-D125 PolarHBondContact NE-OD1 3.33Å; R122-D125 IonicContact NE-OD2 2.77Å; R122-D125 PolarHBondContact NE-OD2 2.91Å; R122-D125 VanDerWaalsContact NE-OD2 3.14Å; R122-D125 IonicContact NH2-OD1 3.36Å; R122-D125 PolarHBondContact NH2-OD1 3.39Å; D125-I127 VanDerWaalsContact C-N 3.3Å; D125-I127 PolarHBondContact O-N 2.88Å; D125-F128 PolarHBondContact O-N 2.81Å; D125-A129 WeakPolarHBondContact O-CB 3.27Å; D125-A129 PolarHBondContact O-N 2.82Å
126E97.1Very high97Very high137 Ų13751.7 Ų51.764%0.6426%0.263SS*.Hα-helixtrans-66.8-32.9174.5-63.3179.2148.200112A129 A130 L153E126-A129 PolarHBondContact O-N 3.28Å; E126-A130 WeakPolarHBondContact O-CB 3.29Å; E126-A130 PolarHBondContact O-N 2.98Å; E126-L153 HydrophobicContact CB-CD2 3.87Å
127I97.8Very high96.9Very high19 Ų1953.6 Ų53.610%0.09728%0.276CS..Hα-helixtrans-66.4-45.7173.8-71.8169.9000110.6F26 H124 D125 A129 A130 I131 L153 V158 L162F26-I127 HydrophobicContact CD2-CG2 3.95Å; F26-I127 HydrophobicContact CE2-CG2 3.57Å; F26-I127 HydrophobicContact CZ-CG2 4.08Å; H124-I127 HydrophobicContact CB-CB 4.33Å; H124-I127 WeakPolarHBondContact O-CB 3.37Å; H124-I127 PolarHBondContact O-N 3.03Å; D125-I127 VanDerWaalsContact C-N 3.3Å; D125-I127 PolarHBondContact O-N 2.88Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A130 PolarHBondContact O-N 3.13Å; I127-I131 HydrophobicContact CG2-CD1 3.69Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CB 3.28Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.43Å; I127-I131 PolarHBondContact O-N 2.94Å; I127-L153 HydrophobicContact CG1-CD1 4.13Å; I127-L153 HydrophobicContact CG1-CD2 3.92Å; I127-V158 HydrophobicContact CD1-CG1 4.02Å; I127-V158 HydrophobicContact CG1-CG1 4.42Å; I127-L162 HydrophobicContact CG1-CD1 4.36Å; I127-L162 HydrophobicContact CG2-CD1 3.77Å; I127-L162 HydrophobicContact CG2-CD2 4.11Å
128F98.2Very high96.8Very high1 Ų160.9 Ų60.90%0.00432%0.315CS..Hα-helixtrans-62.7-41.4175-81.9-67.7000111.7F26 H124 D125 A130 I131 N132 V175 L178 W179 Y182F26-F128 HydrophobicContact CE1-CD1 4.47Å; F26-F128 AromaticContact CE1-CE1 3.89Å; F26-F128 HydrophobicContact CE1-CE1 3.89Å; F26-F128 HydrophobicContact CE1-CZ 4.12Å; F26-F128 HydrophobicContact CZ-CD1 4.21Å; F26-F128 HydrophobicContact CZ-CD2 4.44Å; F26-F128 AromaticContact CZ-CE1 3.75Å; F26-F128 HydrophobicContact CZ-CE1 3.75Å; F26-F128 HydrophobicContact CZ-CE2 4Å; F26-F128 AromaticContact CZ-CZ 3.63Å; F26-F128 HydrophobicContact CZ-CZ 3.63Å; H124-F128 HydrophobicContact CB-CD2 4.15Å; H124-F128 HydrophobicContact CB-CE2 4.18Å; H124-F128 WeakPolarHBondContact O-CD2 3.24Å; H124-F128 PolarHBondContact O-N 2.97Å; D125-F128 PolarHBondContact O-N 2.81Å; F128-A130 VanDerWaalsContact C-N 3.32Å; F128-A130 PolarHBondContact O-N 2.9Å; F128-I131 PolarHBondContact O-N 3.05Å; F128-N132 WeakPolarHBondContact O-CB 3.4Å; F128-N132 VanDerWaalsContact O-CG 3.27Å; F128-N132 PolarHBondContact O-N 2.85Å; F128-N132 PolarHBondContact O-ND2 3.26Å; F128-V175 HydrophobicContact CD1-CG1 4.44Å; F128-L178 HydrophobicContact CE1-CB 4.29Å; F128-L178 HydrophobicContact CZ-CB 4.33Å; F128-W179 HydrophobicContact CB-CE3 3.83Å; F128-W179 HydrophobicContact CB-CZ3 3.72Å; F128-W179 HydrophobicContact CD1-CB 4.45Å; F128-W179 AromaticContact CD1-CE3 3.77Å; F128-W179 HydrophobicContact CD1-CE3 3.77Å; F128-W179 AromaticContact CD2-CE3 3.63Å; F128-W179 HydrophobicContact CD2-CE3 3.63Å; F128-W179 AromaticContact CD2-CZ3 3.84Å; F128-W179 HydrophobicContact CD2-CZ3 3.84Å; F128-W179 HydrophobicContact CE1-CB 3.96Å; F128-W179 HydrophobicContact CE1-CE3 4.15Å; F128-W179 HydrophobicContact CE2-CE3 4.03Å; F128-W179 AromaticContact CG-CE3 3.49Å; F128-W179 HydrophobicContact CG-CE3 3.49Å; F128-W179 VanDerWaalsContact CG-CE3 3.49Å; F128-W179 AromaticContact CG-CZ3 3.81Å; F128-W179 HydrophobicContact CG-CZ3 3.81Å; F128-W179 HydrophobicContact CZ-CB 4.31Å; F128-W179 HydrophobicContact CZ-CE3 4.27Å; F128-Y182 AromaticContact CE2-CD2 3.56Å; F128-Y182 HydrophobicContact CE2-CD2 3.56Å; F128-Y182 AromaticContact CE2-CE2 3.79Å; F128-Y182 HydrophobicContact CE2-CE2 3.79Å; F128-Y182 HydrophobicContact CE2-CG 4.16Å; F128-Y182 AromaticContact CZ-CD2 3.96Å; F128-Y182 HydrophobicContact CZ-CD2 3.96Å; F128-Y182 HydrophobicContact CZ-CE2 4.5Å
129A97.9Very high96.8Very high44 Ų4458.6 Ų58.636%0.36430%0.304SS..Hα-helixtrans-58.4-45173.500000111.2D125 E126 I127 I131 N132 A133D125-A129 WeakPolarHBondContact O-CB 3.27Å; D125-A129 PolarHBondContact O-N 2.82Å; E126-A129 PolarHBondContact O-N 3.28Å; I127-A129 VanDerWaalsContact C-N 3.34Å; A129-I131 PolarHBondContact O-N 3.14Å; A129-N132 PolarHBondContact O-N 3.48Å; A129-A133 VanDerWaalsContact O-CB 3.3Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 2.98Å
130A98.5Very high96.8Very high0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-62.5-42.6176.900000113.6E126 I127 F128 V134 M149 H152 L153E126-A130 WeakPolarHBondContact O-CB 3.29Å; E126-A130 PolarHBondContact O-N 2.98Å; I127-A130 PolarHBondContact O-N 3.13Å; F128-A130 VanDerWaalsContact C-N 3.32Å; F128-A130 PolarHBondContact O-N 2.9Å; A130-V134 WeakPolarHBondContact O-CG2 3.44Å; A130-V134 PolarHBondContact O-N 3.1Å; A130-M149 HydrophobicContact CB-CB 4.38Å; A130-M149 HydrophobicContact CB-CE 4.13Å; A130-M149 HydrophobicContact CB-CG 4.25Å; A130-H152 HydrophobicContact CB-CB 3.77Å; A130-L153 HydrophobicContact CB-CD1 3.95Å; A130-L153 HydrophobicContact CB-CG 4.03Å
131I98.2Very high97Very high0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-63.3-47.7177.4-73.9166.5000110.6F26 I127 F128 A129 V134 S135 L162 W171 F173 V175F26-I131 HydrophobicContact CD1-CD1 3.97Å; F26-I131 HydrophobicContact CE1-CD1 3.8Å; F26-I131 HydrophobicContact CG-CD1 4.47Å; F26-I131 HydrophobicContact CZ-CD1 4.15Å; I127-I131 HydrophobicContact CG2-CD1 3.69Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CB 3.28Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.43Å; I127-I131 PolarHBondContact O-N 2.94Å; F128-I131 PolarHBondContact O-N 3.05Å; A129-I131 PolarHBondContact O-N 3.14Å; I131-V134 PolarHBondContact O-N 3.4Å; I131-S135 PolarHBondContact O-N 3.28Å; I131-S135 VanDerWaalsContact O-N 3.08Å; I131-S135 PolarHBondContact O-OG 3.29Å; I131-L162 HydrophobicContact CD1-CD2 4.48Å; I131-W171 HydrophobicContact CB-CZ2 4.32Å; I131-W171 HydrophobicContact CG1-CH2 4.41Å; I131-W171 HydrophobicContact CG1-CZ2 4.11Å; I131-W171 HydrophobicContact CG2-CD2 4.31Å; I131-W171 HydrophobicContact CG2-CG 4.29Å; I131-W171 HydrophobicContact CG2-CZ2 4.39Å; I131-W171 PolarHBondContact O-NE1 2.98Å; I131-W171 VanDerWaalsContact O-NE1 3.08Å; I131-F173 HydrophobicContact CD1-CE2 3.76Å; I131-F173 HydrophobicContact CD1-CZ 3.69Å; I131-F173 HydrophobicContact CG1-CE2 4.23Å; I131-F173 HydrophobicContact CG1-CZ 4.07Å; I131-F173 HydrophobicContact CG2-CE2 3.91Å; I131-F173 HydrophobicContact CG2-CZ 4.5Å; I131-V175 HydrophobicContact CG2-CB 4.34Å; I131-V175 HydrophobicContact CG2-CG1 3.84Å; I131-V175 HydrophobicContact CG2-CG2 3.49Å; I131-V175 VanDerWaalsContact CG2-CG2 3.49Å
132N97.6Very high97.1Very high59 Ų5962 Ų6232%0.31632%0.316SS..Hα-helixtrans-65.2-43179.6-70.3-25.8000111.4F128 A129 V134 S135 E136F128-N132 WeakPolarHBondContact O-CB 3.4Å; F128-N132 VanDerWaalsContact O-CG 3.27Å; F128-N132 PolarHBondContact O-N 2.85Å; F128-N132 PolarHBondContact O-ND2 3.26Å; A129-N132 PolarHBondContact O-N 3.48Å; N132-V134 VanDerWaalsContact C-N 3.25Å; N132-V134 PolarHBondContact O-N 2.83Å; N132-S135 CarbonylContact O-C 3.54Å; N132-S135 WeakPolarHBondContact O-CA 3.5Å; N132-S135 WeakPolarHBondContact O-CB 3.45Å; N132-S135 PolarHBondContact O-N 3.1Å; N132-E136 WeakPolarHBondContact O-CB 3.44Å; N132-E136 WeakPolarHBondContact O-CG 3.41Å; N132-E136 PolarHBondContact O-N 2.93Å
133A98.2Very high97.4Very high23 Ų2364.4 Ų64.419%0.1933%0.332CS..Hα-helixtrans-59.8-35.5177.100000112.7A129 S137 I148 H152A129-A133 VanDerWaalsContact O-CB 3.3Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 2.98Å; A133-S137 WeakPolarHBondContact O-CB 3.29Å; A133-S137 PolarHBondContact O-N 3.08Å; A133-I148 HydrophobicContact CB-CG2 3.73Å; A133-H152 WeakPolarHBondContact CB-NE2 3.31Å
134V98.3Very high97.7Very high2 Ų265.3 Ų65.31%0.01234%0.339CS..Hα-helixtrans-67.3-46.2171.9171.20000110.9A130 I131 N132 E136 S137 A139 A145 I148 M149 F166 W171A130-V134 WeakPolarHBondContact O-CG2 3.44Å; A130-V134 PolarHBondContact O-N 3.1Å; I131-V134 PolarHBondContact O-N 3.4Å; N132-V134 VanDerWaalsContact C-N 3.25Å; N132-V134 PolarHBondContact O-N 2.83Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.38Å; V134-S137 WeakPolarHBondContact O-CB 3.31Å; V134-S137 PolarHBondContact O-N 3.43Å; V134-S137 VanDerWaalsContact O-N 3.14Å; V134-S137 PolarHBondContact O-OG 3.48Å; V134-A139 HydrophobicContact CG1-CB 4.44Å; V134-A145 HydrophobicContact CG1-CB 3.67Å; V134-A145 HydrophobicContact CG2-CB 4Å; V134-I148 HydrophobicContact CG2-CB 4.08Å; V134-I148 HydrophobicContact CG2-CG2 4.07Å; V134-M149 HydrophobicContact CG2-CG 3.62Å; V134-M149 HydrophobicContact CG2-SD 4.4Å; V134-F166 HydrophobicContact CG1-CD2 4.24Å; V134-F166 HydrophobicContact CG1-CE2 3.61Å; V134-F166 HydrophobicContact CG1-CZ 3.83Å; V134-W171 HydrophobicContact CB-CZ2 3.76Å; V134-W171 HydrophobicContact CG1-CZ2 3.76Å; V134-W171 HydrophobicContact CG2-CZ2 4.06Å
135S96.5Very high97.8Very high68 Ų6864.4 Ų64.448%0.47634%0.335SS..Hα-helixtrans-63.9-30.2179.1-700000114.2I131 N132 S137 W171I131-S135 PolarHBondContact O-N 3.28Å; I131-S135 VanDerWaalsContact O-N 3.08Å; I131-S135 PolarHBondContact O-OG 3.29Å; N132-S135 CarbonylContact O-C 3.54Å; N132-S135 WeakPolarHBondContact O-CA 3.5Å; N132-S135 WeakPolarHBondContact O-CB 3.45Å; N132-S135 PolarHBondContact O-N 3.1Å; S135-S137 VanDerWaalsContact C-N 3.27Å; S135-W171 PolarHBondContact OG-NE1 2.98Å; S135-W171 VanDerWaalsContact OG-NE1 3.13Å
136E97Very high97.9Very high168 Ų16861.2 Ų61.279%0.78532%0.318SS*.THydrogen-bonded Turntrans-82.7-5.2177.2-69.8174.6178.900113N132 V134N132-E136 WeakPolarHBondContact O-CB 3.44Å; N132-E136 WeakPolarHBondContact O-CG 3.41Å; N132-E136 PolarHBondContact O-N 2.93Å; V134-E136 VanDerWaalsContact C-N 3.29Å; V134-E136 PolarHBondContact O-N 3.38Å
137S97.2Very high98Very high40 Ų4057.3 Ų57.328%0.2831%0.309SS..SBendtrans-100.5172.9-179.279.40000112.8A133 V134 S135 A139 I148A133-S137 WeakPolarHBondContact O-CB 3.29Å; A133-S137 PolarHBondContact O-N 3.08Å; V134-S137 WeakPolarHBondContact O-CB 3.31Å; V134-S137 PolarHBondContact O-N 3.43Å; V134-S137 VanDerWaalsContact O-N 3.14Å; V134-S137 PolarHBondContact O-OG 3.48Å; S135-S137 VanDerWaalsContact C-N 3.27Å; S137-A139 PolarHBondContact O-N 2.86Å; S137-A139 VanDerWaalsContact OG-CB 3.25Å; S137-A139 WeakPolarHBondContact OG-CB 3.35Å; S137-A139 PolarHBondContact OG-N 2.69Å; S137-A139 VanDerWaalsContact OG-N 3.14Å; S137-I148 VanDerWaalsContact CB-CD1 3.45Å; S137-I148 WeakPolarHBondContact OG-CD1 3.36Å
138D97.5Very high98Very high157 Ų15757.9 Ų57.984%0.8431%0.312SS*.  trans-8415171.6-60.8-50.6000113.5Q140D138-Q140 PolarHBondContact O-N 2.77Å
139A98Very high98Very high7 Ų757.9 Ų57.96%0.05831%0.312CS..  trans-64.9123.1-177.300000111.6V134 S137 Q144 A145 I148V134-A139 HydrophobicContact CG1-CB 4.44Å; S137-A139 PolarHBondContact O-N 2.86Å; S137-A139 VanDerWaalsContact OG-CB 3.25Å; S137-A139 WeakPolarHBondContact OG-CB 3.35Å; S137-A139 PolarHBondContact OG-N 2.69Å; S137-A139 VanDerWaalsContact OG-N 3.14Å; A139-Q144 HydrophobicContact CB-CB 3.77Å; A139-A145 HydrophobicContact CB-CB 4.45Å; A139-I148 HydrophobicContact CB-CD1 4.01Å
140Q97.9Very high98.1Very high122 Ų12261.3 Ų61.357%0.5732%0.316SS*.  trans-110.1-22.3177.8-65.1-60.1-52.900112.4D138D138-Q140 PolarHBondContact O-N 2.77Å
141T98.2Very high98Very high66 Ų6668.3 Ų68.341%0.40535%0.349SS..SBendtrans-112.5153.9-176.766.50000111.2Q143 Q144 A145T141-Q143 PolarHBondContact O-N 3.22Å; T141-Q144 PolarHBondContact O-N 3.16Å; T141-Q144 VanDerWaalsContact O-N 3.15Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.49Å; T141-Q144 PolarHBondContact OG1-N 3.25Å; T141-Q144 PolarHBondContact OG1-OE1 3.01Å; T141-A145 PolarHBondContact O-N 3.01Å
142R98.1Very high98Very high113 Ų11371.6 Ų71.643%0.42636%0.364SS..Hα-helixtrans-57.1-31.9172.3-69-178.6-179.7-174.4-5.7112.7A146 L163 K164 F166R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.12Å; R142-L163 WeakPolarHBondContact CD-O 3.45Å; R142-L163 HydrophobicContact CG-CB 4.41Å; R142-L163 PolarHBondContact NE-O 2.9Å; R142-L163 PolarHBondContact NH2-O 3.13Å; R142-K164 PolarHBondContact NH2-O 3.24Å; R142-F166 HydrophobicContact CG-CB 4.47Å; R142-F166 HydrophobicContact CG-CD1 4.17Å; R142-F166 PolarHBondContact NE-O 2.93Å; R142-F166 PolarHBondContact NH2-O 2.91Å
143Q98.2Very high98Very high165 Ų16569 Ų6977%0.77135%0.35SS*.Hα-helixtrans-66.2-44.5177.8-173.3-179.817.800111.7T141 A147T141-Q143 PolarHBondContact O-N 3.22Å; Q143-A147 PolarHBondContact O-N 3Å
144Q98.6Very high98Very high92 Ų9275.2 Ų75.243%0.4338%0.38SS..Hα-helixtrans-65.5-47.5175.6-70.9162.2-37.800111A139 T141 A146 A147 I148A139-Q144 HydrophobicContact CB-CB 3.77Å; T141-Q144 PolarHBondContact O-N 3.16Å; T141-Q144 VanDerWaalsContact O-N 3.15Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.49Å; T141-Q144 PolarHBondContact OG1-N 3.25Å; T141-Q144 PolarHBondContact OG1-OE1 3.01Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.32Å; Q144-A147 WeakPolarHBondContact O-CB 3.37Å; Q144-A147 PolarHBondContact O-N 3.4Å; Q144-A147 VanDerWaalsContact O-N 3.09Å; Q144-I148 PolarHBondContact O-N 2.97Å
145A98.7Very high97.7Very high0 Ų080.4 Ų80.40%040%0.404CS..Hα-helixtrans-58.4-44176.900000111.6V134 A139 T141 A147 I148 M149 L163 F166V134-A145 HydrophobicContact CG1-CB 3.67Å; V134-A145 HydrophobicContact CG2-CB 4Å; A139-A145 HydrophobicContact CB-CB 4.45Å; T141-A145 PolarHBondContact O-N 3.01Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.81Å; A145-I148 PolarHBondContact O-N 3.36Å; A145-I148 VanDerWaalsContact O-N 3.1Å; A145-M149 VanDerWaalsContact O-CG 3.31Å; A145-M149 WeakPolarHBondContact O-CG 3.46Å; A145-M149 PolarHBondContact O-N 3.46Å; A145-L163 HydrophobicContact CB-CD2 3.54Å; A145-F166 HydrophobicContact CB-CD1 3.88Å; A145-F166 HydrophobicContact CB-CE1 3.74Å; A145-F166 HydrophobicContact CB-CG 4.42Å; A145-F166 HydrophobicContact CB-CZ 4.17Å
146A98.6Very high97.7Very high3 Ų381 Ų813%0.02540%0.399CS..Hα-helixtrans-58.3-37.117600000113R142 Q144 I148 M149 R150 I159 L163R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.12Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.32Å; A146-I148 VanDerWaalsContact C-N 3.28Å; A146-I148 PolarHBondContact O-N 2.9Å; A146-M149 PolarHBondContact O-N 3.32Å; A146-R150 VanDerWaalsContact O-CG 3.3Å; A146-R150 WeakPolarHBondContact O-CG 3.44Å; A146-R150 PolarHBondContact O-N 2.84Å; A146-R150 VanDerWaalsContact O-N 3.13Å; A146-R150 PolarHBondContact O-NH1 3.38Å; A146-I159 HydrophobicContact CB-CG2 4.31Å; A146-L163 HydrophobicContact CB-CD1 3.58Å
147A98.5Very high97.6Very high54 Ų5475.7 Ų75.745%0.44639%0.39SS..Hα-helixtrans-65.1-33.8178.600000112.3Q143 Q144 A145 Q151Q143-A147 PolarHBondContact O-N 3Å; Q144-A147 WeakPolarHBondContact O-CB 3.37Å; Q144-A147 PolarHBondContact O-N 3.4Å; Q144-A147 VanDerWaalsContact O-N 3.09Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.81Å; A147-Q151 PolarHBondContact O-NE2 3.2Å
148I98.6Very high97.5Very high32 Ų3274.5 Ų74.516%0.16438%0.381CS..Hα-helixtrans-75.4-48.5175.6-62.2165.6000110.1A133 V134 S137 A139 Q144 A145 A146 R150 Q151A133-I148 HydrophobicContact CB-CG2 3.73Å; V134-I148 HydrophobicContact CG2-CB 4.08Å; V134-I148 HydrophobicContact CG2-CG2 4.07Å; S137-I148 VanDerWaalsContact CB-CD1 3.45Å; S137-I148 WeakPolarHBondContact OG-CD1 3.36Å; A139-I148 HydrophobicContact CB-CD1 4.01Å; Q144-I148 PolarHBondContact O-N 2.97Å; A145-I148 PolarHBondContact O-N 3.36Å; A145-I148 VanDerWaalsContact O-N 3.1Å; A146-I148 VanDerWaalsContact C-N 3.28Å; A146-I148 PolarHBondContact O-N 2.9Å; I148-R150 PolarHBondContact O-N 3.18Å; I148-Q151 VanDerWaalsContact O-CB 3.26Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 WeakPolarHBondContact O-CG 3.41Å; I148-Q151 PolarHBondContact O-N 3.4Å
149M98.7Very high97.5Very high0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-59.5-33.7-177.6-65.1-176.184.300113.2A130 V134 A145 A146 Q151 H152 L153 I159 L162 L163 W171A130-M149 HydrophobicContact CB-CB 4.38Å; A130-M149 HydrophobicContact CB-CE 4.13Å; A130-M149 HydrophobicContact CB-CG 4.25Å; V134-M149 HydrophobicContact CG2-CG 3.62Å; V134-M149 HydrophobicContact CG2-SD 4.4Å; A145-M149 VanDerWaalsContact O-CG 3.31Å; A145-M149 WeakPolarHBondContact O-CG 3.46Å; A145-M149 PolarHBondContact O-N 3.46Å; A146-M149 PolarHBondContact O-N 3.32Å; M149-Q151 PolarHBondContact O-N 3.34Å; M149-Q151 VanDerWaalsContact O-N 3.17Å; M149-H152 PolarHBondContact O-N 3.16Å; M149-L153 HydrophobicContact CE-CD1 4.16Å; M149-L153 PolarHBondContact O-N 3.39Å; M149-I159 HydrophobicContact CB-CD1 4.42Å; M149-I159 HydrophobicContact CB-CG1 4.28Å; M149-I159 HydrophobicContact CB-CG2 4.05Å; M149-I159 HydrophobicContact SD-CG2 4.16Å; M149-L162 HydrophobicContact CE-CB 3.79Å; M149-L162 HydrophobicContact CE-CD1 3.36Å; M149-L162 HydrophobicContact CE-CG 4.2Å; M149-L163 HydrophobicContact SD-CD2 3.77Å; M149-L163 HydrophobicContact SD-CG 3.93Å; M149-W171 HydrophobicContact CE-CH2 4.09Å; M149-W171 HydrophobicContact SD-CH2 3.84Å; M149-W171 HydrophobicContact SD-CZ2 4.45Å
150R98.4Very high97.5Very high116 Ų11671 Ų7144%0.43836%0.359SS..THydrogen-bonded Turntrans-64.3-13.6175.6-75.3-177.8-166.4105.8-2.6114.4A146 I148 H152 E156 I159A146-R150 VanDerWaalsContact O-CG 3.3Å; A146-R150 WeakPolarHBondContact O-CG 3.44Å; A146-R150 PolarHBondContact O-N 2.84Å; A146-R150 VanDerWaalsContact O-N 3.13Å; A146-R150 PolarHBondContact O-NH1 3.38Å; I148-R150 PolarHBondContact O-N 3.18Å; R150-H152 VanDerWaalsContact C-N 3.25Å; R150-E156 IonicContact CZ-OE1 3.67Å; R150-E156 IonicContact CZ-OE2 2.73Å; R150-E156 IonicContact NE-OE1 2.69Å; R150-E156 IonicContact NE-OE2 3.26Å; R150-E156 PolarHBondContact NE-OE2 2.73Å; R150-E156 IonicContact NH2-OE1 3.06Å; R150-E156 PolarHBondContact NH2-OE1 3.2Å; R150-E156 IonicContact NH2-OE2 3.67Å; R150-E156 PolarHBondContact NH2-OE2 2.75Å; R150-I159 HydrophobicContact CB-CD1 4.33Å; R150-I159 HydrophobicContact CG-CD1 3.48Å; R150-I159 VanDerWaalsContact CG-CD1 3.48Å
151Q98.1Very high97.4Very high148 Ų14866.1 Ų66.169%0.69234%0.336SS*.THydrogen-bonded Turntrans-79.9-13.3173.3-55.4176.325.600112A147 I148 M149A147-Q151 PolarHBondContact O-NE2 3.2Å; I148-Q151 VanDerWaalsContact O-CB 3.26Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 WeakPolarHBondContact O-CG 3.41Å; I148-Q151 PolarHBondContact O-N 3.4Å; M149-Q151 PolarHBondContact O-N 3.34Å; M149-Q151 VanDerWaalsContact O-N 3.17Å
152H98.1Very high97.4Very high68 Ų6863 Ų6332%0.31532%0.317SS..THydrogen-bonded Turntrans-119.9-26.1-176.7-61.2-46.5000113.3A130 A133 M149 R150A130-H152 HydrophobicContact CB-CB 3.77Å; A133-H152 WeakPolarHBondContact CB-NE2 3.31Å; M149-H152 PolarHBondContact O-N 3.16Å; R150-H152 VanDerWaalsContact C-N 3.25Å
153L97.5Very high97.4Very high6 Ų657.8 Ų57.83%0.03130%0.297CS..  trans-127139.9-175.5-53.8176.7000110.6E126 I127 A130 M149 V158 I159 L162E126-L153 HydrophobicContact CB-CD2 3.87Å; I127-L153 HydrophobicContact CG1-CD1 4.13Å; I127-L153 HydrophobicContact CG1-CD2 3.92Å; A130-L153 HydrophobicContact CB-CD1 3.95Å; A130-L153 HydrophobicContact CB-CG 4.03Å; M149-L153 HydrophobicContact CE-CD1 4.16Å; M149-L153 PolarHBondContact O-N 3.39Å; L153-V158 HydrophobicContact CD1-CG1 4.46Å; L153-I159 HydrophobicContact CB-CD1 4.08Å; L153-I159 HydrophobicContact CB-CG1 3.95Å; L153-I159 HydrophobicContact CD1-CG1 4.08Å; L153-L162 HydrophobicContact CD1-CD1 3.98Å
154N96.5Very high97.3Very high153 Ų15354.4 Ų54.482%0.81828%0.28SS*.  trans-100-16.7178.3-70.290000112.6E156N154-E156 PolarHBondContact O-N 3.3Å
155E94Very high97.3Very high111 Ų11150.1 Ų50.152%0.51926%0.26SS..  trans-88.295-177.3-6178.1-173.400111.4G157 V158 I159E155-G157 PolarHBondContact O-N 2.77Å; E155-G157 VanDerWaalsContact O-N 3.13Å; E155-V158 HydrophobicContact CB-CB 3.96Å; E155-V158 HydrophobicContact CB-CG2 3.58Å; E155-V158 HydrophobicContact CG-CG2 4.34Å; E155-V158 WeakPolarHBondContact O-CA 3.23Å; E155-V158 WeakPolarHBondContact O-CB 3.41Å; E155-V158 PolarHBondContact O-N 2.92Å; E155-I159 PolarHBondContact O-N 3.06Å; E155-I159 VanDerWaalsContact O-N 3.14Å
156E96.4Very high97.3Very high79 Ų7950.3 Ų50.337%0.36926%0.26SS..Hα-helixtrans-54.7-36.7-179.2-172.262.9-150.800112.8R150 N154 V158 I159 Q160R150-E156 IonicContact CZ-OE1 3.67Å; R150-E156 IonicContact CZ-OE2 2.73Å; R150-E156 IonicContact NE-OE1 2.69Å; R150-E156 IonicContact NE-OE2 3.26Å; R150-E156 PolarHBondContact NE-OE2 2.73Å; R150-E156 IonicContact NH2-OE1 3.06Å; R150-E156 PolarHBondContact NH2-OE1 3.2Å; R150-E156 IonicContact NH2-OE2 3.67Å; R150-E156 PolarHBondContact NH2-OE2 2.75Å; N154-E156 PolarHBondContact O-N 3.3Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.24Å; E156-I159 PolarHBondContact O-N 2.87Å; E156-Q160 HydrophobicContact CG-CG 4.4Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 2.91Å; E156-Q160 PolarHBondContact OE1-NE2 3.07Å
157G93.7Very high97.3Very high58 Ų5851.9 Ų51.960%0.59827%0.27SS*.Hα-helixtrans-61-37175.800000113.4E155 F161E155-G157 PolarHBondContact O-N 2.77Å; E155-G157 VanDerWaalsContact O-N 3.13Å; G157-F161 VanDerWaalsContact O-CB 3.31Å; G157-F161 WeakPolarHBondContact O-CB 3.33Å; G157-F161 PolarHBondContact O-N 2.9Å
158V95Very high97.2Very high15 Ų1555.9 Ų55.99%0.09128%0.284CS..Hα-helixtrans-70.1-43.7176.8179.40000110.1I127 L153 E155 E156 Q160 F161 L162 W235I127-V158 HydrophobicContact CD1-CG1 4.02Å; I127-V158 HydrophobicContact CG1-CG1 4.42Å; L153-V158 HydrophobicContact CD1-CG1 4.46Å; E155-V158 HydrophobicContact CB-CB 3.96Å; E155-V158 HydrophobicContact CB-CG2 3.58Å; E155-V158 HydrophobicContact CG-CG2 4.34Å; E155-V158 WeakPolarHBondContact O-CA 3.23Å; E155-V158 WeakPolarHBondContact O-CB 3.41Å; E155-V158 PolarHBondContact O-N 2.92Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 3.24Å; V158-Q160 PolarHBondContact O-N 3Å; V158-F161 WeakPolarHBondContact O-CB 3.43Å; V158-F161 PolarHBondContact O-N 3.46Å; V158-L162 HydrophobicContact CG1-CD1 4.01Å; V158-L162 HydrophobicContact CG1-CG 4.4Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.19Å; V158-L162 PolarHBondContact O-N 3.07Å; V158-W235 HydrophobicContact CB-CH2 4.47Å; V158-W235 HydrophobicContact CG1-CH2 4.2Å; V158-W235 HydrophobicContact CG2-CE3 4.46Å; V158-W235 HydrophobicContact CG2-CH2 3.64Å; V158-W235 HydrophobicContact CG2-CZ3 3.56Å
159I97.9Very high97.1Very high1 Ų154.9 Ų54.91%0.00528%0.282CS..Hα-helixtrans-58-51.4176.4-63.2174.5000110.2A146 M149 R150 L153 E155 E156 F161 L162 L163A146-I159 HydrophobicContact CB-CG2 4.31Å; M149-I159 HydrophobicContact CB-CD1 4.42Å; M149-I159 HydrophobicContact CB-CG1 4.28Å; M149-I159 HydrophobicContact CB-CG2 4.05Å; M149-I159 HydrophobicContact SD-CG2 4.16Å; R150-I159 HydrophobicContact CB-CD1 4.33Å; R150-I159 HydrophobicContact CG-CD1 3.48Å; R150-I159 VanDerWaalsContact CG-CD1 3.48Å; L153-I159 HydrophobicContact CB-CD1 4.08Å; L153-I159 HydrophobicContact CB-CG1 3.95Å; L153-I159 HydrophobicContact CD1-CG1 4.08Å; E155-I159 PolarHBondContact O-N 3.06Å; E155-I159 VanDerWaalsContact O-N 3.14Å; E156-I159 PolarHBondContact O-N 2.87Å; I159-F161 VanDerWaalsContact C-N 3.29Å; I159-F161 PolarHBondContact O-N 3.13Å; I159-L162 PolarHBondContact O-N 2.98Å; I159-L163 HydrophobicContact CG2-CD1 3.69Å; I159-L163 HydrophobicContact CG2-CG 4.32Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.16Å; I159-L163 PolarHBondContact O-N 3.32Å
160Q97.2Very high97.1Very high89 Ų8961.4 Ų61.442%0.41631%0.312SS..Hα-helixtrans-64.7-33.2179.7-64.4-54.3-43.300112.5E156 V158 K164E156-Q160 HydrophobicContact CG-CG 4.4Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 2.91Å; E156-Q160 PolarHBondContact OE1-NE2 3.07Å; V158-Q160 PolarHBondContact O-N 3Å; Q160-K164 PolarHBondContact O-N 3.35Å
161F96.7Very high97.1Very high20 Ų2056.3 Ų56.39%0.08829%0.293CS..Hα-helixtrans-61.2-52.3172160.2-96.6000111.5L25 F26 N31 G157 V158 I159 L163 K164 W235L25-F161 WeakPolarHBondContact O-CZ 3.4Å; F26-F161 HydrophobicContact CB-CE1 4.06Å; F26-F161 HydrophobicContact CB-CZ 4.49Å; N31-F161 WeakPolarHBondContact ND2-CD2 3.47Å; N31-F161 WeakPolarHBondContact ND2-CE2 3.48Å; G157-F161 VanDerWaalsContact O-CB 3.31Å; G157-F161 WeakPolarHBondContact O-CB 3.33Å; G157-F161 PolarHBondContact O-N 2.9Å; V158-F161 WeakPolarHBondContact O-CB 3.43Å; V158-F161 PolarHBondContact O-N 3.46Å; I159-F161 VanDerWaalsContact C-N 3.29Å; I159-F161 PolarHBondContact O-N 3.13Å; F161-L163 PolarHBondContact O-N 2.95Å; F161-K164 WeakPolarHBondContact O-CB 3.46Å; F161-K164 PolarHBondContact O-N 2.79Å; F161-W235 AromaticContact CD1-CZ2 3.99Å; F161-W235 HydrophobicContact CD1-CZ2 3.99Å; F161-W235 AromaticContact CD2-NE1 3.55Å; F161-W235 HydrophobicContact CE1-CZ2 4Å; F161-W235 AromaticContact CE1-NE1 3.89Å; F161-W235 AromaticContact CE2-NE1 3.4Å; F161-W235 AromaticContact CG-NE1 3.88Å; F161-W235 AromaticContact CZ-NE1 3.61Å
162L97.9Very high97.1Very high1 Ų153 Ų531%0.00527%0.274CS..Hα-helixtrans-61.8-44-179.1-66.9169.9000111.2F26 I127 I131 M149 L153 V158 I159 K164 S165F26-L162 HydrophobicContact CB-CD2 3.41Å; F26-L162 VanDerWaalsContact CB-CD2 3.41Å; F26-L162 HydrophobicContact CD2-CD2 3.9Å; F26-L162 HydrophobicContact CG-CD2 3.78Å; I127-L162 HydrophobicContact CG1-CD1 4.36Å; I127-L162 HydrophobicContact CG2-CD1 3.77Å; I127-L162 HydrophobicContact CG2-CD2 4.11Å; I131-L162 HydrophobicContact CD1-CD2 4.48Å; M149-L162 HydrophobicContact CE-CB 3.79Å; M149-L162 HydrophobicContact CE-CD1 3.36Å; M149-L162 HydrophobicContact CE-CG 4.2Å; L153-L162 HydrophobicContact CD1-CD1 3.98Å; V158-L162 HydrophobicContact CG1-CD1 4.01Å; V158-L162 HydrophobicContact CG1-CG 4.4Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.19Å; V158-L162 PolarHBondContact O-N 3.07Å; I159-L162 PolarHBondContact O-N 2.98Å; L162-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact O-N 3.08Å; L162-S165 WeakPolarHBondContact O-CB 3.45Å; L162-S165 PolarHBondContact O-N 3.17Å
163L98.2Very high97.1Very high2 Ų249.8 Ų49.81%0.0126%0.259CS..Hα-helixtrans-62.9-16.3-179.6-71171.5000113.9R142 A145 A146 M149 I159 F161 S165 F166 W171R142-L163 WeakPolarHBondContact CD-O 3.45Å; R142-L163 HydrophobicContact CG-CB 4.41Å; R142-L163 PolarHBondContact NE-O 2.9Å; R142-L163 PolarHBondContact NH2-O 3.13Å; A145-L163 HydrophobicContact CB-CD2 3.54Å; A146-L163 HydrophobicContact CB-CD1 3.58Å; M149-L163 HydrophobicContact SD-CD2 3.77Å; M149-L163 HydrophobicContact SD-CG 3.93Å; I159-L163 HydrophobicContact CG2-CD1 3.69Å; I159-L163 HydrophobicContact CG2-CG 4.32Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 VanDerWaalsContact O-CG 3.25Å; I159-L163 WeakPolarHBondContact O-CG 3.16Å; I159-L163 PolarHBondContact O-N 3.32Å; F161-L163 PolarHBondContact O-N 2.95Å; L163-S165 PolarHBondContact O-N 3.19Å; L163-F166 HydrophobicContact CD2-CB 4.08Å; L163-F166 HydrophobicContact CD2-CG 4.44Å; L163-F166 PolarHBondContact O-N 3.22Å; L163-W171 HydrophobicContact CD2-CH2 4.27Å
164K97.2Very high97.1Very high95 Ų9550.5 Ų50.541%0.41326%0.263SS..THydrogen-bonded Turntrans-58.9-29.2169.4-70-173.9178.3-179.10112.3R142 Q160 F161 L162R142-K164 PolarHBondContact NH2-O 3.24Å; Q160-K164 PolarHBondContact O-N 3.35Å; F161-K164 WeakPolarHBondContact O-CB 3.46Å; F161-K164 PolarHBondContact O-N 2.79Å; L162-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact O-N 3.08Å
165S98.3Very high97.2Very high2 Ų244 Ų441%0.01423%0.228CC..THydrogen-bonded Turntrans-91.20.6176.8-64.50000113F26 L162 L163 R172 F173F26-S165 PolarHBondContact O-OG 2.92Å; L162-S165 WeakPolarHBondContact O-CB 3.45Å; L162-S165 PolarHBondContact O-N 3.17Å; L163-S165 PolarHBondContact O-N 3.19Å; S165-R172 WeakPolarHBondContact O-CB 3.44Å; S165-R172 VanDerWaalsContact O-CG 3.32Å; S165-R172 WeakPolarHBondContact O-CG 3.45Å; S165-R172 PolarHBondContact O-N 3.47Å; S165-F173 VanDerWaalsContact CB-CD1 3.48Å; S165-F173 VanDerWaalsContact CB-CE1 3.44Å
166F98.5Very high97.4Very high3 Ų343.1 Ų43.11%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-94.1113.4173.2-166-110.8000109.9V134 R142 A145 L163 G169 E170 W171V134-F166 HydrophobicContact CG1-CD2 4.24Å; V134-F166 HydrophobicContact CG1-CE2 3.61Å; V134-F166 HydrophobicContact CG1-CZ 3.83Å; R142-F166 HydrophobicContact CG-CB 4.47Å; R142-F166 HydrophobicContact CG-CD1 4.17Å; R142-F166 PolarHBondContact NE-O 2.93Å; R142-F166 PolarHBondContact NH2-O 2.91Å; A145-F166 HydrophobicContact CB-CD1 3.88Å; A145-F166 HydrophobicContact CB-CE1 3.74Å; A145-F166 HydrophobicContact CB-CG 4.42Å; A145-F166 HydrophobicContact CB-CZ 4.17Å; L163-F166 HydrophobicContact CD2-CB 4.08Å; L163-F166 HydrophobicContact CD2-CG 4.44Å; L163-F166 PolarHBondContact O-N 3.22Å; F166-G169 VanDerWaalsContact CE2-O 3.24Å; F166-G169 WeakPolarHBondContact CE2-O 3.39Å; F166-G169 VanDerWaalsContact CZ-C 3.46Å; F166-G169 WeakPolarHBondContact CZ-O 3.4Å; F166-E170 WeakPolarHBondContact CA-O 3.27Å; F166-W171 HydrophobicContact CB-CE3 3.92Å; F166-W171 HydrophobicContact CB-CH2 4.26Å; F166-W171 HydrophobicContact CB-CZ3 3.69Å; F166-W171 AromaticContact CD2-CD2 3.83Å; F166-W171 HydrophobicContact CD2-CD2 3.83Å; F166-W171 AromaticContact CD2-CE2 3.95Å; F166-W171 AromaticContact CD2-CE3 3.9Å; F166-W171 HydrophobicContact CD2-CE3 3.9Å; F166-W171 HydrophobicContact CD2-CG 4.42Å; F166-W171 HydrophobicContact CD2-CH2 4.23Å; F166-W171 HydrophobicContact CD2-CZ2 4.16Å; F166-W171 HydrophobicContact CD2-CZ3 4.11Å; F166-W171 HydrophobicContact CG-CE3 4.4Å; F166-W171 HydrophobicContact CG-CZ3 4.29Å
167V97.9Very high97.5Very high37 Ų3740.3 Ų40.322%0.22422%0.221CC..EExtended strand (participates in β ladder)trans-143.8133.8-176-172.50000108.8G169 E170 R172V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 3.25Å; V167-E170 PolarHBondContact N-O 2.76Å; V167-E170 PolarHBondContact O-N 2.81Å; V167-E170 VanDerWaalsContact O-O 3.13Å; V167-R172 HydrophobicContact CG2-CG 4.21Å
168D96.8Very high97.7Very high137 Ų13737.5 Ų37.573%0.73319%0.192SC*.THydrogen-bonded Turntrans53.740.2179.9-51.5-39.2000113.6E170D168-E170 PolarHBondContact O-N 3.15Å
169G97.1Very high97.8Very high12 Ų1242.8 Ų42.812%0.12421%0.21CC..THydrogen-bonded Turntrans76.40.8-178.700000115.2F166 V167F166-G169 VanDerWaalsContact CE2-O 3.24Å; F166-G169 WeakPolarHBondContact CE2-O 3.39Å; F166-G169 VanDerWaalsContact CZ-C 3.46Å; F166-G169 WeakPolarHBondContact CZ-O 3.4Å; V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 3.25Å
170E97.5Very high97.8Very high136 Ų13647.9 Ų47.964%0.63624%0.238SC*.EExtended strand (participates in β ladder)trans-124.7151.3-170.3-69.2-67.9154.900112.7F166 V167 D168F166-E170 WeakPolarHBondContact CA-O 3.27Å; V167-E170 PolarHBondContact N-O 2.76Å; V167-E170 PolarHBondContact O-N 2.81Å; V167-E170 VanDerWaalsContact O-O 3.13Å; D168-E170 PolarHBondContact O-N 3.15Å
171W98.5Very high97.9Very high10 Ų1045 Ų454%0.03822%0.224CC..EExtended strand (participates in β ladder)trans-82.2128.1171.8-64.3113.7000111.2I131 V134 S135 M149 L163 F166 F173 V175I131-W171 HydrophobicContact CB-CZ2 4.32Å; I131-W171 HydrophobicContact CG1-CH2 4.41Å; I131-W171 HydrophobicContact CG1-CZ2 4.11Å; I131-W171 HydrophobicContact CG2-CD2 4.31Å; I131-W171 HydrophobicContact CG2-CG 4.29Å; I131-W171 HydrophobicContact CG2-CZ2 4.39Å; I131-W171 PolarHBondContact O-NE1 2.98Å; I131-W171 VanDerWaalsContact O-NE1 3.08Å; V134-W171 HydrophobicContact CB-CZ2 3.76Å; V134-W171 HydrophobicContact CG1-CZ2 3.76Å; V134-W171 HydrophobicContact CG2-CZ2 4.06Å; S135-W171 PolarHBondContact OG-NE1 2.98Å; S135-W171 VanDerWaalsContact OG-NE1 3.13Å; M149-W171 HydrophobicContact CE-CH2 4.09Å; M149-W171 HydrophobicContact SD-CH2 3.84Å; M149-W171 HydrophobicContact SD-CZ2 4.45Å; L163-W171 HydrophobicContact CD2-CH2 4.27Å; F166-W171 HydrophobicContact CB-CE3 3.92Å; F166-W171 HydrophobicContact CB-CH2 4.26Å; F166-W171 HydrophobicContact CB-CZ3 3.69Å; F166-W171 AromaticContact CD2-CD2 3.83Å; F166-W171 HydrophobicContact CD2-CD2 3.83Å; F166-W171 AromaticContact CD2-CE2 3.95Å; F166-W171 AromaticContact CD2-CE3 3.9Å; F166-W171 HydrophobicContact CD2-CE3 3.9Å; F166-W171 HydrophobicContact CD2-CG 4.42Å; F166-W171 HydrophobicContact CD2-CH2 4.23Å; F166-W171 HydrophobicContact CD2-CZ2 4.16Å; F166-W171 HydrophobicContact CD2-CZ3 4.11Å; F166-W171 HydrophobicContact CG-CE3 4.4Å; F166-W171 HydrophobicContact CG-CZ3 4.29Å; W171-F173 VanDerWaalsContact C-N 3.28Å; W171-F173 HydrophobicContact CB-CD2 3.98Å; W171-F173 HydrophobicContact CB-CE2 3.73Å; W171-F173 HydrophobicContact CB-CZ 4.26Å; W171-F173 AromaticContact CD2-CE2 3.81Å; W171-F173 HydrophobicContact CD2-CE2 3.81Å; W171-F173 AromaticContact CD2-CZ 3.66Å; W171-F173 HydrophobicContact CD2-CZ 3.66Å; W171-F173 AromaticContact CE3-CE1 3.83Å; W171-F173 HydrophobicContact CE3-CE1 3.83Å; W171-F173 AromaticContact CE3-CE2 3.87Å; W171-F173 HydrophobicContact CE3-CE2 3.87Å; W171-F173 AromaticContact CE3-CZ 3.24Å; W171-F173 HydrophobicContact CE3-CZ 3.24Å; W171-F173 HydrophobicContact CG-CD2 4.5Å; W171-F173 AromaticContact CG-CE2 3.77Å; W171-F173 HydrophobicContact CG-CE2 3.77Å; W171-F173 HydrophobicContact CG-CZ 4.11Å; W171-F173 HydrophobicContact CZ3-CE1 4.29Å; W171-F173 AromaticContact CZ3-CZ 3.78Å; W171-F173 HydrophobicContact CZ3-CZ 3.78Å; W171-F173 PolarHBondContact O-N 3.41Å; W171-V175 HydrophobicContact CB-CG2 4.15Å; W171-V175 HydrophobicContact CG-CG2 4.26Å
172R98.4Very high98Very high78 Ų7844.1 Ų44.129%0.29422%0.22SC..SBendtrans-71.4-21.4175.5-72-69179.785.9-3.1113.4G54 S165 V167G54-R172 PolarHBondContact N-O 3.09Å; G54-R172 VanDerWaalsContact O-O 3.13Å; S165-R172 WeakPolarHBondContact O-CB 3.44Å; S165-R172 VanDerWaalsContact O-CG 3.32Å; S165-R172 WeakPolarHBondContact O-CG 3.45Å; S165-R172 PolarHBondContact O-N 3.47Å; V167-R172 HydrophobicContact CG2-CG 4.21Å
173F98.3Very high98Very high1 Ų147.6 Ų47.60%0.00424%0.243CC..SBendtrans-91.4150.8172.547-112.8000112.1F26 N52 I131 S165 W171 V175 L178F26-F173 HydrophobicContact CB-CD1 4.03Å; F26-F173 HydrophobicContact CB-CE1 3.87Å; F26-F173 HydrophobicContact CD1-CD1 4.17Å; F26-F173 HydrophobicContact CD1-CD2 4.1Å; F26-F173 HydrophobicContact CD1-CE1 4.14Å; F26-F173 HydrophobicContact CD1-CE2 4.1Å; F26-F173 HydrophobicContact CD1-CG 4.15Å; F26-F173 HydrophobicContact CD1-CZ 4.11Å; F26-F173 HydrophobicContact CG-CE1 4.44Å; F26-F173 WeakPolarHBondContact O-CD1 3.47Å; N52-F173 CarbonylContact O-C 3.54Å; N52-F173 WeakPolarHBondContact O-CA 3.48Å; N52-F173 WeakPolarHBondContact O-CB 3.38Å; I131-F173 HydrophobicContact CD1-CE2 3.76Å; I131-F173 HydrophobicContact CD1-CZ 3.69Å; I131-F173 HydrophobicContact CG1-CE2 4.23Å; I131-F173 HydrophobicContact CG1-CZ 4.07Å; I131-F173 HydrophobicContact CG2-CE2 3.91Å; I131-F173 HydrophobicContact CG2-CZ 4.5Å; S165-F173 VanDerWaalsContact CB-CD1 3.48Å; S165-F173 VanDerWaalsContact CB-CE1 3.44Å; W171-F173 VanDerWaalsContact C-N 3.28Å; W171-F173 HydrophobicContact CB-CD2 3.98Å; W171-F173 HydrophobicContact CB-CE2 3.73Å; W171-F173 HydrophobicContact CB-CZ 4.26Å; W171-F173 AromaticContact CD2-CE2 3.81Å; W171-F173 HydrophobicContact CD2-CE2 3.81Å; W171-F173 AromaticContact CD2-CZ 3.66Å; W171-F173 HydrophobicContact CD2-CZ 3.66Å; W171-F173 AromaticContact CE3-CE1 3.83Å; W171-F173 HydrophobicContact CE3-CE1 3.83Å; W171-F173 AromaticContact CE3-CE2 3.87Å; W171-F173 HydrophobicContact CE3-CE2 3.87Å; W171-F173 AromaticContact CE3-CZ 3.24Å; W171-F173 HydrophobicContact CE3-CZ 3.24Å; W171-F173 HydrophobicContact CG-CD2 4.5Å; W171-F173 AromaticContact CG-CE2 3.77Å; W171-F173 HydrophobicContact CG-CE2 3.77Å; W171-F173 HydrophobicContact CG-CZ 4.11Å; W171-F173 HydrophobicContact CZ3-CE1 4.29Å; W171-F173 AromaticContact CZ3-CZ 3.78Å; W171-F173 HydrophobicContact CZ3-CZ 3.78Å; W171-F173 PolarHBondContact O-N 3.41Å; F173-V175 HydrophobicContact CD2-CG2 3.62Å; F173-V175 HydrophobicContact CE2-CG2 3.59Å; F173-V175 PolarHBondContact O-N 3.19Å; F173-L178 HydrophobicContact CB-CD1 3.8Å; F173-L178 HydrophobicContact CD2-CD1 4.33Å; F173-L178 HydrophobicContact CG-CD1 4.24Å
174N98.2Very high98Very high20 Ų2052.2 Ų52.211%0.10726%0.264CS..  trans-83.380-175.8-169.20000111.2N52 R58 V177 L178N52-N174 HydrophobicContact CB-CB 3.79Å; N52-N174 PolarHBondContact O-N 2.53Å; N52-N174 PolarHBondContact OD1-ND2 3.24Å; R58-N174 HydrophobicContact CG-CB 4.42Å; N174-V177 HydrophobicContact CB-CB 4.34Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.31Å; N174-V177 PolarHBondContact O-N 2.96Å; N174-V177 VanDerWaalsContact O-N 3.11Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.22Å
175V97.9Very high98Very high16 Ų1648.1 Ų48.110%0.09725%0.247CC..Hα-helixtrans-48.3-49.8-173-176.20000113.5F128 I131 W171 F173 V177 L178 W179F128-V175 HydrophobicContact CD1-CG1 4.44Å; I131-V175 HydrophobicContact CG2-CB 4.34Å; I131-V175 HydrophobicContact CG2-CG1 3.84Å; I131-V175 HydrophobicContact CG2-CG2 3.49Å; I131-V175 VanDerWaalsContact CG2-CG2 3.49Å; W171-V175 HydrophobicContact CB-CG2 4.15Å; W171-V175 HydrophobicContact CG-CG2 4.26Å; F173-V175 HydrophobicContact CD2-CG2 3.62Å; F173-V175 HydrophobicContact CE2-CG2 3.59Å; F173-V175 PolarHBondContact O-N 3.19Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.36Å; V175-L178 PolarHBondContact O-N 3.41Å; V175-W179 WeakPolarHBondContact O-CB 3.02Å; V175-W179 PolarHBondContact O-N 3.46Å
176P97.7Very high98Very high93 Ų9348.8 Ų48.860%0.60425%0.251SS*.Hα-helixtrans-60.2-41.4-178.5-25.136000113.4D180P176-D180 WeakPolarHBondContact O-CB 2.98Å; P176-D180 PolarHBondContact O-N 3.38Å
177V98.5Very high98Very high20 Ų2048.8 Ų48.812%0.12125%0.252CS..Hα-helixtrans-71.8-42.4179172.40000111.2E59 M62 N174 V175 W179 D180 Q181E59-V177 WeakPolarHBondContact O-CG1 3.42Å; M62-V177 HydrophobicContact CB-CG1 4.37Å; N174-V177 HydrophobicContact CB-CB 4.34Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.31Å; N174-V177 PolarHBondContact O-N 2.96Å; N174-V177 VanDerWaalsContact O-N 3.11Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.36Å; V177-W179 PolarHBondContact O-N 3.46Å; V177-D180 PolarHBondContact O-N 2.72Å; V177-Q181 HydrophobicContact CG1-CG 3.87Å; V177-Q181 VanDerWaalsContact O-CB 3.25Å; V177-Q181 WeakPolarHBondContact O-CB 3.38Å; V177-Q181 WeakPolarHBondContact O-CG 3.36Å; V177-Q181 PolarHBondContact O-N 2.88Å
178L98.4Very high98Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-62.8-33.5178.3-64.6-173.7000111.8L25 F26 N52 M62 F128 F173 N174 V175 Y182 I185L25-L178 HydrophobicContact CD1-CD1 3.92Å; L25-L178 HydrophobicContact CD1-CD2 4.03Å; L25-L178 HydrophobicContact CD1-CG 4.4Å; F26-L178 HydrophobicContact CD1-CD1 3.79Å; F26-L178 HydrophobicContact CE1-CB 4.48Å; F26-L178 HydrophobicContact CE1-CD1 3.79Å; N52-L178 HydrophobicContact CB-CD2 4.15Å; M62-L178 HydrophobicContact CE-CD2 4.12Å; F128-L178 HydrophobicContact CE1-CB 4.29Å; F128-L178 HydrophobicContact CZ-CB 4.33Å; F173-L178 HydrophobicContact CB-CD1 3.8Å; F173-L178 HydrophobicContact CD2-CD1 4.33Å; F173-L178 HydrophobicContact CG-CD1 4.24Å; N174-L178 WeakPolarHBondContact O-CG 3.39Å; N174-L178 PolarHBondContact O-N 3.22Å; V175-L178 PolarHBondContact O-N 3.41Å; L178-Y182 WeakPolarHBondContact O-CA 3.36Å; L178-Y182 WeakPolarHBondContact O-CB 3.3Å; L178-Y182 PolarHBondContact O-N 3.36Å; L178-Y182 VanDerWaalsContact O-N 3.16Å; L178-I185 HydrophobicContact CD2-CD1 3.9Å
179W97.5Very high98.1Very high125 Ų12548.3 Ų48.347%0.47324%0.241SC..Hα-helixtrans-67.5-54.9173174.8-92.4000111.9F128 V175 V177 Q181 Y182F128-W179 HydrophobicContact CB-CE3 3.83Å; F128-W179 HydrophobicContact CB-CZ3 3.72Å; F128-W179 HydrophobicContact CD1-CB 4.45Å; F128-W179 AromaticContact CD1-CE3 3.77Å; F128-W179 HydrophobicContact CD1-CE3 3.77Å; F128-W179 AromaticContact CD2-CE3 3.63Å; F128-W179 HydrophobicContact CD2-CE3 3.63Å; F128-W179 AromaticContact CD2-CZ3 3.84Å; F128-W179 HydrophobicContact CD2-CZ3 3.84Å; F128-W179 HydrophobicContact CE1-CB 3.96Å; F128-W179 HydrophobicContact CE1-CE3 4.15Å; F128-W179 HydrophobicContact CE2-CE3 4.03Å; F128-W179 AromaticContact CG-CE3 3.49Å; F128-W179 HydrophobicContact CG-CE3 3.49Å; F128-W179 VanDerWaalsContact CG-CE3 3.49Å; F128-W179 AromaticContact CG-CZ3 3.81Å; F128-W179 HydrophobicContact CG-CZ3 3.81Å; F128-W179 HydrophobicContact CZ-CB 4.31Å; F128-W179 HydrophobicContact CZ-CE3 4.27Å; V175-W179 WeakPolarHBondContact O-CB 3.02Å; V175-W179 PolarHBondContact O-N 3.46Å; V177-W179 PolarHBondContact O-N 3.46Å; W179-Q181 VanDerWaalsContact C-N 3.33Å; W179-Q181 PolarHBondContact O-N 2.86Å; W179-Y182 VanDerWaalsContact O-CB 3.23Å; W179-Y182 WeakPolarHBondContact O-CB 3.25Å; W179-Y182 PolarHBondContact O-N 2.78Å
180D97.9Very high98.1Very high108 Ų10854.2 Ų54.258%0.57826%0.263SS*.Hα-helixtrans-60.4-43.5-177.2179.772.8000111.9P176 V177 Y182P176-D180 WeakPolarHBondContact O-CB 2.98Å; P176-D180 PolarHBondContact O-N 3.38Å; V177-D180 PolarHBondContact O-N 2.72Å; D180-Y182 VanDerWaalsContact C-N 3.32Å; D180-Y182 PolarHBondContact O-N 2.87Å
181Q98.4Very high98.2Very high29 Ų2948.8 Ų48.814%0.13624%0.239CC..THydrogen-bonded Turntrans-90.66-177.4-56.5-71.4-70.900113.4P60 M62 V177 W179 P183 H184 I185P60-Q181 WeakPolarHBondContact O-CG 3.35Å; M62-Q181 HydrophobicContact CB-CB 3.56Å; M62-Q181 HydrophobicContact CB-CG 3.74Å; M62-Q181 HydrophobicContact CG-CB 4.44Å; V177-Q181 HydrophobicContact CG1-CG 3.87Å; V177-Q181 VanDerWaalsContact O-CB 3.25Å; V177-Q181 WeakPolarHBondContact O-CB 3.38Å; V177-Q181 WeakPolarHBondContact O-CG 3.36Å; V177-Q181 PolarHBondContact O-N 2.88Å; W179-Q181 VanDerWaalsContact C-N 3.33Å; W179-Q181 PolarHBondContact O-N 2.86Å; Q181-P183 VanDerWaalsContact C-N 3.31Å; Q181-H184 WeakPolarHBondContact O-CB 3.29Å; Q181-H184 PolarHBondContact O-N 3.47Å; Q181-H184 PolarHBondContact OE1-CD2 3.42Å; Q181-I185 PolarHBondContact O-N 2.86Å
182Y98Very high98.2Very high1 Ų152.9 Ų52.90%0.00427%0.267CS..Hα-helixtrans-52.1-40.8-177.8-172.4-100.4000114.1L25 R122 R123 H124 F128 L178 W179 D180 H184 I185 V186L25-Y182 HydrophobicContact CD2-CD2 4.38Å; L25-Y182 HydrophobicContact CD2-CE2 4.04Å; R122-Y182 HydrophobicContact CB-CE1 4.33Å; R122-Y182 HydrophobicContact CG-CE1 4.26Å; R123-Y182 PolarHBondContact N-OH 3.18Å; H124-Y182 HydrophobicContact CB-CE2 3.72Å; H124-Y182 VanDerWaalsContact CB-OH 3.25Å; H124-Y182 WeakPolarHBondContact CB-OH 3.36Å; H124-Y182 AromaticContact CG-CE2 3.84Å; H124-Y182 VanDerWaalsContact CG-OH 3.3Å; H124-Y182 PolarHBondContact N-OH 3.34Å; H124-Y182 AromaticContact ND1-CE2 3.54Å; H124-Y182 AromaticContact ND1-CZ 3.54Å; H124-Y182 PolarHBondContact ND1-OH 2.8Å; F128-Y182 AromaticContact CE2-CD2 3.56Å; F128-Y182 HydrophobicContact CE2-CD2 3.56Å; F128-Y182 AromaticContact CE2-CE2 3.79Å; F128-Y182 HydrophobicContact CE2-CE2 3.79Å; F128-Y182 HydrophobicContact CE2-CG 4.16Å; F128-Y182 AromaticContact CZ-CD2 3.96Å; F128-Y182 HydrophobicContact CZ-CD2 3.96Å; F128-Y182 HydrophobicContact CZ-CE2 4.5Å; L178-Y182 WeakPolarHBondContact O-CA 3.36Å; L178-Y182 WeakPolarHBondContact O-CB 3.3Å; L178-Y182 PolarHBondContact O-N 3.36Å; L178-Y182 VanDerWaalsContact O-N 3.16Å; W179-Y182 VanDerWaalsContact O-CB 3.23Å; W179-Y182 WeakPolarHBondContact O-CB 3.25Å; W179-Y182 PolarHBondContact O-N 2.78Å; D180-Y182 VanDerWaalsContact C-N 3.32Å; D180-Y182 PolarHBondContact O-N 2.87Å; Y182-H184 PolarHBondContact O-N 2.73Å; Y182-I185 PolarHBondContact O-N 3.01Å; Y182-V186 HydrophobicContact CD1-CG1 4.16Å; Y182-V186 HydrophobicContact CD1-CG2 4.29Å; Y182-V186 HydrophobicContact CD2-CG1 4.44Å; Y182-V186 HydrophobicContact CE1-CB 4.49Å; Y182-V186 HydrophobicContact CE1-CG1 3.54Å; Y182-V186 HydrophobicContact CE1-CG2 4.14Å; Y182-V186 HydrophobicContact CE2-CG1 3.89Å; Y182-V186 VanDerWaalsContact CZ-CG1 3.43Å; Y182-V186 PolarHBondContact O-N 2.96Å
183P97.9Very high98.2Very high74 Ų7451.6 Ų51.648%0.48127%0.272SS..Hα-helixtrans-55.8-34.3174.7-26.436.8000113.6Q181 G187Q181-P183 VanDerWaalsContact C-N 3.31Å; P183-G187 WeakPolarHBondContact O-CA 3.45Å; P183-G187 PolarHBondContact O-N 2.84Å
184H98.1Very high98.2Very high99 Ų9952.1 Ų52.146%0.45827%0.274SS..Hα-helixtrans-76.7-27.6176.7-58.4-50.3000112.8M62 Y64 Q181 Y182M62-H184 WeakPolarHBondContact O-CB 3.35Å; Y64-H184 VanDerWaalsContact CE2-O 3.23Å; Y64-H184 WeakPolarHBondContact CE2-O 3.39Å; Q181-H184 WeakPolarHBondContact O-CB 3.29Å; Q181-H184 PolarHBondContact O-N 3.47Å; Q181-H184 PolarHBondContact OE1-CD2 3.42Å; Y182-H184 PolarHBondContact O-N 2.73Å
185I98.2Very high98.2Very high9 Ų956.4 Ų56.45%0.04630%0.297CS..Hα-helixtrans-80-33.1178.7-58.8169.9000112.1L25 M62 Y64 M90 L178 Q181 Y182L25-I185 HydrophobicContact CD1-CD1 4.03Å; L25-I185 HydrophobicContact CD1-CG2 4.11Å; L25-I185 HydrophobicContact CD2-CG2 4.09Å; L25-I185 HydrophobicContact CG-CG2 4.46Å; M62-I185 HydrophobicContact CG-CD1 3.89Å; M62-I185 HydrophobicContact CG-CG1 3.91Å; Y64-I185 PolarHBondContact OH-O 3.34Å; M90-I185 HydrophobicContact CB-CG2 4.48Å; M90-I185 HydrophobicContact CG-CG2 4.1Å; M90-I185 HydrophobicContact SD-CG2 4.08Å; L178-I185 HydrophobicContact CD2-CD1 3.9Å; Q181-I185 PolarHBondContact O-N 2.86Å; Y182-I185 PolarHBondContact O-N 3.01Å
186V98Very high98.3Very high17 Ų1760.4 Ų60.410%0.10332%0.315CS..Hα-helixtrans-87.5-24170.4-60.40000111.7K93 Y119 Y182K93-V186 PolarHBondContact NZ-O 3.33Å; Y119-V186 WeakPolarHBondContact CD2-O 3.38Å; Y119-V186 PolarHBondContact N-O 2.91Å; Y119-V186 VanDerWaalsContact N-O 3.17Å; Y182-V186 HydrophobicContact CD1-CG1 4.16Å; Y182-V186 HydrophobicContact CD1-CG2 4.29Å; Y182-V186 HydrophobicContact CD2-CG1 4.44Å; Y182-V186 HydrophobicContact CE1-CB 4.49Å; Y182-V186 HydrophobicContact CE1-CG1 3.54Å; Y182-V186 HydrophobicContact CE1-CG2 4.14Å; Y182-V186 HydrophobicContact CE2-CG1 3.89Å; Y182-V186 VanDerWaalsContact CZ-CG1 3.43Å; Y182-V186 PolarHBondContact O-N 2.96Å
187G98.1Very high98.3Very high3 Ų358 Ų583%0.03130%0.299CS..  trans-71.3-176177.800000114.2Y64 K93 D118 P183Y64-G187 VanDerWaalsContact CE2-O 3.29Å; Y64-G187 WeakPolarHBondContact CE2-O 3.44Å; K93-G187 PolarHBondContact NZ-O 2.82Å; D118-G187 VanDerWaalsContact CG-CA 3.45Å; D118-G187 WeakPolarHBondContact OD1-CA 3.49Å; P183-G187 WeakPolarHBondContact O-CA 3.45Å; P183-G187 PolarHBondContact O-N 2.84Å
188W98.7Very high98.3Very high35 Ų3557 Ų5713%0.13329%0.293CS..  trans-161.4144.7177.3-176.9-114.2000111.5Y64 K93 M96 A97 P116 V117 D118 I191Y64-W188 HydrophobicContact CD1-CZ3 4.3Å; Y64-W188 AromaticContact CD2-CE3 3.46Å; Y64-W188 HydrophobicContact CD2-CE3 3.46Å; Y64-W188 VanDerWaalsContact CD2-CE3 3.46Å; Y64-W188 AromaticContact CD2-CZ3 3.68Å; Y64-W188 HydrophobicContact CD2-CZ3 3.68Å; Y64-W188 AromaticContact CE2-CE3 3.7Å; Y64-W188 HydrophobicContact CE2-CE3 3.7Å; Y64-W188 HydrophobicContact CE2-CZ3 4.18Å; Y64-W188 HydrophobicContact CG-CE3 4.04Å; Y64-W188 AromaticContact CG-CZ3 3.75Å; Y64-W188 HydrophobicContact CG-CZ3 3.75Å; K93-W188 HydrophobicContact CB-CE3 4.07Å; K93-W188 HydrophobicContact CB-CZ3 3.65Å; K93-W188 HydrophobicContact CD-CE3 3.81Å; K93-W188 HydrophobicContact CD-CZ3 4.27Å; K93-W188 HydrophobicContact CG-CE3 3.75Å; K93-W188 HydrophobicContact CG-CZ3 3.74Å; K93-W188 WeakPolarHBondContact O-CH2 3.33Å; K93-W188 VanDerWaalsContact O-CZ3 3.32Å; K93-W188 WeakPolarHBondContact O-CZ3 3.36Å; M96-W188 HydrophobicContact CB-CH2 3.77Å; M96-W188 HydrophobicContact CB-CZ2 4.27Å; A97-W188 HydrophobicContact CB-CH2 4.05Å; A97-W188 HydrophobicContact CB-CZ3 4.31Å; P116-W188 HydrophobicContact CB-CD2 4.35Å; P116-W188 HydrophobicContact CB-CH2 4.48Å; P116-W188 HydrophobicContact CB-CZ2 3.62Å; P116-W188 PolarHBondContact O-NE1 2.73Å; P116-W188 VanDerWaalsContact O-NE1 3.07Å; V117-W188 WeakPolarHBondContact O-CB 3.23Å; D118-W188 HydrophobicContact CB-CB 4.43Å; W188-I191 HydrophobicContact CH2-CG2 4.46Å; W188-I191 HydrophobicContact CZ2-CD1 4.18Å; W188-I191 HydrophobicContact CZ2-CG1 4.17Å; W188-I191 HydrophobicContact CZ2-CG2 3.94Å
189E97.8Very high98.4Very high128 Ų12857.4 Ų57.460%0.59830%0.295SS*.  trans-103119.2168.2-177.8172.4-164.500107.7P65 I191P65-E189 WeakPolarHBondContact CG-OE2 3.25Å; E189-I191 PolarHBondContact O-N 3.31Å
190K98.5Very high98.4Very high136 Ų13651.6 Ų51.659%0.59127%0.273SS*.  trans-59.6133.9-179.5-78.3-173154.680.20110.1D216K190-D216 VanDerWaalsContact CE-OD1 3.23Å; K190-D216 WeakPolarHBondContact CE-OD1 3.36Å; K190-D216 WeakPolarHBondContact CE-OD2 3.32Å; K190-D216 IonicContact NZ-OD1 3.14Å; K190-D216 PolarHBondContact NZ-OD1 2.57Å; K190-D216 IonicContact NZ-OD2 2.69Å; K190-D216 PolarHBondContact NZ-OD2 2.84Å
191I98.8Very high98.5Very high23 Ų2346.4 Ų46.412%0.11825%0.246CC..  trans-105.3160.5-179.961.1171.4000112.1M96 T99 A100 W188 E189 Q220 F221M96-I191 WeakPolarHBondContact O-CD1 3.42Å; T99-I191 WeakPolarHBondContact OG1-CD1 3.46Å; A100-I191 HydrophobicContact CB-CB 3.91Å; A100-I191 HydrophobicContact CB-CG2 3.75Å; W188-I191 HydrophobicContact CH2-CG2 4.46Å; W188-I191 HydrophobicContact CZ2-CD1 4.18Å; W188-I191 HydrophobicContact CZ2-CG1 4.17Å; W188-I191 HydrophobicContact CZ2-CG2 3.94Å; E189-I191 PolarHBondContact O-N 3.31Å; I191-Q220 HydrophobicContact CG1-CB 3.97Å; I191-Q220 HydrophobicContact CG1-CG 3.99Å; I191-Q220 VanDerWaalsContact N-OE1 3.09Å; I191-F221 HydrophobicContact CD1-CE2 3.9Å; I191-F221 HydrophobicContact CD1-CZ 3.84Å
192P98.7Very high98.5Very high96 Ų9645.3 Ų45.362%0.62324%0.241SC*.  trans-59.7157.6165.9-21.534.1000111.9W194P192-W194 PolarHBondContact O-N 3.06Å
193A98.8Very high98.5Very high50 Ų5045.4 Ų45.441%0.41324%0.242SC..  trans-60.3133.7175.800000111.4Q220 P222A193-Q220 CarbonylContact C-O 3.57Å; A193-Q220 WeakPolarHBondContact CA-O 3.31Å; A193-P222 HydrophobicContact CB-CG 4.2Å
194W98.8Very high98.5Very high12 Ų1243.8 Ų43.85%0.04524%0.239CC..  trans-101.199.7168.8-171.860.9000109.2T99 I106 L109 P192 H196 A198 Q220 F221T99-W194 HydrophobicContact CG2-CB 4.37Å; T99-W194 HydrophobicContact CG2-CD2 3.79Å; T99-W194 HydrophobicContact CG2-CE3 4.21Å; T99-W194 HydrophobicContact CG2-CG 3.89Å; I106-W194 HydrophobicContact CB-CZ2 4.39Å; I106-W194 HydrophobicContact CG2-CH2 4.13Å; I106-W194 HydrophobicContact CG2-CZ2 3.86Å; L109-W194 HydrophobicContact CB-CH2 3.75Å; L109-W194 HydrophobicContact CB-CZ3 3.65Å; L109-W194 HydrophobicContact CD1-CZ3 4.24Å; L109-W194 HydrophobicContact CG-CZ3 4.49Å; P192-W194 PolarHBondContact O-N 3.06Å; W194-H196 AromaticContact CD1-ND1 3.6Å; W194-H196 HydrophobicContact CD2-CB 3.87Å; W194-H196 AromaticContact CE2-CG 3.81Å; W194-H196 AromaticContact CE2-ND1 3.54Å; W194-H196 HydrophobicContact CE3-CB 3.94Å; W194-H196 HydrophobicContact CH2-CB 3.72Å; W194-H196 HydrophobicContact CZ2-CB 3.63Å; W194-H196 AromaticContact CZ2-CG 3.92Å; W194-H196 HydrophobicContact CZ3-CB 3.87Å; W194-H196 AromaticContact NE1-CE1 3.96Å; W194-H196 AromaticContact NE1-CG 3.96Å; W194-H196 AromaticContact NE1-ND1 3.23Å; W194-H196 PolarHBondContact NE1-ND1 2.79Å; W194-H196 PolarHBondContact O-N 2.69Å; W194-A198 HydrophobicContact CE3-CB 4.16Å; W194-A198 HydrophobicContact CZ3-CB 3.86Å; W194-Q220 PolarHBondContact N-O 3.25Å; W194-F221 HydrophobicContact CB-CD1 4.29Å; W194-F221 HydrophobicContact CB-CE1 4.13Å; W194-F221 HydrophobicContact CD2-CE1 4.41Å; W194-F221 AromaticContact CE3-CD1 3.88Å; W194-F221 HydrophobicContact CE3-CD1 3.88Å; W194-F221 AromaticContact CE3-CE1 3.79Å; W194-F221 HydrophobicContact CE3-CE1 3.79Å
195D98.5Very high98.5Very high111 Ų11144.9 Ų44.959%0.59425%0.248SC*.  trans-76.453.4-177.1-65.5-55.7000112.7P222 Q223D195-P222 WeakPolarHBondContact OD1-CG 3.44Å; D195-Q223 PolarHBondContact O-OE1 3.48Å
196H98.6Very high98.5Very high99 Ų9945.3 Ų45.346%0.45825%0.252SS..SBendtrans-136151.9171.8-60.682.8000110.4W194 A198 Q223W194-H196 AromaticContact CD1-ND1 3.6Å; W194-H196 HydrophobicContact CD2-CB 3.87Å; W194-H196 AromaticContact CE2-CG 3.81Å; W194-H196 AromaticContact CE2-ND1 3.54Å; W194-H196 HydrophobicContact CE3-CB 3.94Å; W194-H196 HydrophobicContact CH2-CB 3.72Å; W194-H196 HydrophobicContact CZ2-CB 3.63Å; W194-H196 AromaticContact CZ2-CG 3.92Å; W194-H196 HydrophobicContact CZ3-CB 3.87Å; W194-H196 AromaticContact NE1-CE1 3.96Å; W194-H196 AromaticContact NE1-CG 3.96Å; W194-H196 AromaticContact NE1-ND1 3.23Å; W194-H196 PolarHBondContact NE1-ND1 2.79Å; W194-H196 PolarHBondContact O-N 2.69Å; H196-A198 PolarHBondContact O-N 3.44Å; H196-Q223 VanDerWaalsContact N-OE1 3.1Å
197P98.6Very high98.4Very high43 Ų4347.9 Ų47.928%0.27927%0.269SS..  trans-55.9124.8173.3-26.436000112.2Y251P197-Y251 HydrophobicContact CB-CE2 4.08Å; P197-Y251 PolarHBondContact O-OH 3.03Å
198A98.9Very high98.5Very high0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-123.4128.7177.800000110.3L109 W194 H196 F200 F221 Q223 A224 R225L109-A198 HydrophobicContact CD2-CB 4.21Å; W194-A198 HydrophobicContact CE3-CB 4.16Å; W194-A198 HydrophobicContact CZ3-CB 3.86Å; H196-A198 PolarHBondContact O-N 3.44Å; A198-F200 HydrophobicContact CB-CD2 4.47Å; A198-F200 HydrophobicContact CB-CE2 3.9Å; A198-F221 HydrophobicContact CB-CD1 3.69Å; A198-F221 HydrophobicContact CB-CE1 4.39Å; A198-F221 HydrophobicContact CB-CG 4.41Å; A198-Q223 PolarHBondContact N-O 3.07Å; A198-A224 CarbonylContact O-C 3.55Å; A198-A224 WeakPolarHBondContact O-CA 3.46Å; A198-R225 PolarHBondContact O-N 3.48Å
199L98.9Very high98.4Very high8 Ų848.7 Ų48.74%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-90.8125.9178178.567.3000110.8L109 V110 A111 I201 H227 A247 I248 Y251L109-L199 PolarHBondContact O-N 3.44Å; V110-L199 CarbonylContact C-O 3.56Å; V110-L199 VanDerWaalsContact CA-O 3.29Å; V110-L199 WeakPolarHBondContact CA-O 3.42Å; V110-L199 HydrophobicContact CG1-CB 4.47Å; V110-L199 HydrophobicContact CG1-CD2 4.05Å; V110-L199 HydrophobicContact CG1-CG 4.31Å; V110-L199 HydrophobicContact CG2-CB 4.22Å; V110-L199 HydrophobicContact CG2-CD2 4.13Å; A111-L199 PolarHBondContact N-O 3.26Å; L199-I201 HydrophobicContact CD1-CG1 4.4Å; L199-I201 HydrophobicContact CD2-CD1 3.78Å; L199-I201 HydrophobicContact CD2-CG1 3.94Å; L199-I201 HydrophobicContact CG-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 3.87Å; L199-H227 HydrophobicContact CD1-CB 4.26Å; L199-A247 HydrophobicContact CD2-CB 4.48Å; L199-I248 HydrophobicContact CD2-CG1 4.48Å; L199-Y251 HydrophobicContact CB-CD1 3.63Å; L199-Y251 HydrophobicContact CB-CD2 4.16Å; L199-Y251 HydrophobicContact CB-CE1 3.91Å; L199-Y251 HydrophobicContact CB-CE2 4.41Å; L199-Y251 HydrophobicContact CB-CG 3.76Å; L199-Y251 HydrophobicContact CD2-CD1 4Å; L199-Y251 HydrophobicContact CD2-CG 4.09Å; L199-Y251 HydrophobicContact CG-CD1 4.44Å; L199-Y251 HydrophobicContact CG-CG 4.43Å
200F98.9Very high98.4Very high2 Ų244 Ų441%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-109.8133.1170-71.6-100.1000109.5M96 A111 I114 A198 P202 L217 F221 A224 R225 A226 H227M96-F200 HydrophobicContact SD-CE1 3.71Å; M96-F200 HydrophobicContact SD-CZ 3.84Å; A111-F200 HydrophobicContact CB-CD1 3.71Å; A111-F200 HydrophobicContact CB-CE1 3.72Å; A111-F200 HydrophobicContact CB-CG 4.35Å; A111-F200 HydrophobicContact CB-CZ 4.37Å; A111-F200 CarbonylContact O-C 3.23Å; A111-F200 WeakPolarHBondContact O-CA 3.47Å; I114-F200 WeakPolarHBondContact O-CD1 3.39Å; A198-F200 HydrophobicContact CB-CD2 4.47Å; A198-F200 HydrophobicContact CB-CE2 3.9Å; F200-P202 WeakPolarHBondContact O-CD 3.42Å; F200-L217 HydrophobicContact CD1-CD1 3.84Å; F200-L217 HydrophobicContact CD2-CD2 4.48Å; F200-L217 HydrophobicContact CE1-CD1 3.83Å; F200-L217 HydrophobicContact CE1-CG 4.2Å; F200-L217 HydrophobicContact CE2-CD2 4.23Å; F200-L217 HydrophobicContact CG-CD1 4.27Å; F200-L217 HydrophobicContact CZ-CD1 4.25Å; F200-L217 HydrophobicContact CZ-CD2 4.35Å; F200-L217 HydrophobicContact CZ-CG 4.15Å; F200-F221 HydrophobicContact CE2-CB 4.01Å; F200-F221 HydrophobicContact CE2-CD1 4.42Å; F200-F221 HydrophobicContact CE2-CD2 4.39Å; F200-F221 HydrophobicContact CE2-CG 4.01Å; F200-F221 HydrophobicContact CZ-CB 4.25Å; F200-F221 HydrophobicContact CZ-CD1 4.43Å; F200-F221 AromaticContact CZ-CD2 3.81Å; F200-F221 HydrophobicContact CZ-CD2 3.81Å; F200-F221 HydrophobicContact CZ-CE2 4.32Å; F200-F221 AromaticContact CZ-CG 3.89Å; F200-F221 HydrophobicContact CZ-CG 3.89Å; F200-A224 HydrophobicContact CD2-CB 3.77Å; F200-A224 HydrophobicContact CE2-CB 3.72Å; F200-R225 PolarHBondContact N-O 2.93Å; F200-A226 CarbonylContact O-C 3.52Å; F200-A226 WeakPolarHBondContact O-CA 3.36Å; F200-H227 PolarHBondContact O-N 3.08Å
201I98.9Very high98.3Very high0 Ų044.2 Ų44.20%026%0.259CS..EExtended strand (participates in β ladder)trans-122.982.6-178.9-50.8178.8000109.9V110 A111 D113 L199 I229 V236 V244 A247 I248V110-I201 HydrophobicContact CG1-CD1 3.67Å; V110-I201 HydrophobicContact CG1-CG1 4.13Å; A111-I201 PolarHBondContact O-N 3.26Å; D113-I201 PolarHBondContact N-O 3.31Å; L199-I201 HydrophobicContact CD1-CG1 4.4Å; L199-I201 HydrophobicContact CD2-CD1 3.78Å; L199-I201 HydrophobicContact CD2-CG1 3.94Å; L199-I201 HydrophobicContact CG-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 3.87Å; I201-I229 HydrophobicContact CG2-CD1 4.1Å; I201-I229 HydrophobicContact CG2-CG1 3.6Å; I201-V236 HydrophobicContact CG2-CG1 4.39Å; I201-V244 HydrophobicContact CD1-CG1 4.03Å; I201-V244 HydrophobicContact CG2-CG2 4.25Å; I201-A247 HydrophobicContact CD1-CB 4.11Å; I201-I248 HydrophobicContact CD1-CD1 4.4Å; I201-I248 HydrophobicContact CD1-CG1 3.78Å
202P98.8Very high98.3Very high6 Ų649.3 Ų49.34%0.03928%0.282CS..  trans-73.5148.7176-17.533000113.1D113 F200 V209 V228 I229D113-P202 WeakPolarHBondContact OD1-CA 3.34Å; F200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-V209 HydrophobicContact CB-CB 3.86Å; P202-V209 HydrophobicContact CB-CG2 4.01Å; P202-V209 HydrophobicContact CG-CB 3.67Å; P202-V209 HydrophobicContact CG-CG1 3.92Å; P202-V209 HydrophobicContact CG-CG2 3.93Å; P202-V228 HydrophobicContact CB-CG2 4.25Å; P202-V228 HydrophobicContact CG-CG2 4.12Å; P202-V228 WeakPolarHBondContact O-CA 3.47Å; P202-I229 PolarHBondContact O-N 2.89Å
203G98.6Very high98.3Very high2 Ų246.6 Ų46.62%0.02126%0.26CS..BIsolated β-bridgetrans-79.4130.5163.400000110.6D113 N205 S206 A232D113-G203 PolarHBondContact OD1-N 2.86Å; G203-N205 PolarHBondContact O-N 3.07Å; G203-S206 VanDerWaalsContact O-CB 3.31Å; G203-S206 WeakPolarHBondContact O-CB 3.3Å; G203-S206 PolarHBondContact O-N 3.29Å; G203-A232 CarbonylContact C-O 3.53Å; G203-A232 VanDerWaalsContact C-O 3.23Å; G203-A232 VanDerWaalsContact CA-O 3.27Å; G203-A232 WeakPolarHBondContact CA-O 3.21Å
204G98Very high98.2Very high40 Ų4049.9 Ų49.941%0.41226%0.262SS..THydrogen-bonded Turntrans-64-21.1-178.600000114.4I229 A232G204-I229 PolarHBondContact N-O 2.96Å; G204-A232 PolarHBondContact N-O 3.36Å
205N97.8Very high98.2Very high123 Ų12355.2 Ų55.266%0.65829%0.291SS*.THydrogen-bonded Turntrans-103.921.4174.1-62.2-13.1000111.6G203 A232G203-N205 PolarHBondContact O-N 3.07Å; N205-A232 WeakPolarHBondContact CB-O 2.97Å; N205-A232 PolarHBondContact N-O 3.46Å
206S97.4Very high98.2Very high18 Ų1852.8 Ų52.813%0.12628%0.278CS..  trans-118.9136-177.3-175.30000111.9D113 G203 Y208D113-S206 VanDerWaalsContact CG-OG 3.27Å; D113-S206 WeakPolarHBondContact OD1-CB 3.33Å; D113-S206 PolarHBondContact OD1-OG 3.16Å; D113-S206 VanDerWaalsContact OD2-CB 3.29Å; D113-S206 WeakPolarHBondContact OD2-CB 3.35Å; D113-S206 PolarHBondContact OD2-OG 2.94Å; G203-S206 VanDerWaalsContact O-CB 3.31Å; G203-S206 WeakPolarHBondContact O-CB 3.3Å; G203-S206 PolarHBondContact O-N 3.29Å; S206-Y208 VanDerWaalsContact C-N 3.34Å; S206-Y208 VanDerWaalsContact OG-CD2 3.32Å; S206-Y208 WeakPolarHBondContact OG-CD2 3.38Å
207P97.5Very high98.2Very high71 Ų7148.7 Ų48.746%0.46126%0.26SS..SBendtrans-84.4-3.417934.4-36.2000113.7V209 S210 Y213P207-V209 VanDerWaalsContact C-N 3.28Å; P207-V209 PolarHBondContact O-N 2.66Å; P207-S210 PolarHBondContact O-N 3.43Å; P207-S210 PolarHBondContact O-OG 3.18Å; P207-Y213 WeakPolarHBondContact O-CE2 3.38Å
208Y98.4Very high98.3Very high23 Ų2349 Ų499%0.0926%0.259CS..THydrogen-bonded Turntrans-66.9-22.3-169-80.8-100000114.8D113 I114 A115 Y119 R123 S206 H234D113-Y208 VanDerWaalsContact O-CB 3.31Å; D113-Y208 WeakPolarHBondContact O-CB 3.36Å; I114-Y208 HydrophobicContact CD1-CD1 4.08Å; A115-Y208 WeakPolarHBondContact CB-O 3.49Å; A115-Y208 PolarHBondContact N-O 2.66Å; Y119-Y208 HydrophobicContact CE1-CD1 4.16Å; Y119-Y208 HydrophobicContact CE2-CD1 4.07Å; Y119-Y208 HydrophobicContact CE2-CE1 4.4Å; Y119-Y208 AromaticContact CZ-CD1 3.75Å; Y119-Y208 PolarHBondContact OH-O 2.62Å; R123-Y208 VanDerWaalsContact NH1-CD1 3.28Å; R123-Y208 VanDerWaalsContact NH1-CD2 3.32Å; S206-Y208 VanDerWaalsContact C-N 3.34Å; S206-Y208 VanDerWaalsContact OG-CD2 3.32Å; S206-Y208 WeakPolarHBondContact OG-CD2 3.38Å; Y208-H234 AromaticContact CD1-CE1 3.78Å; Y208-H234 AromaticContact CD2-CE1 3.81Å; Y208-H234 AromaticContact CD2-ND1 3.35Å; Y208-H234 VanDerWaalsContact CD2-ND1 3.35Å; Y208-H234 WeakPolarHBondContact CD2-ND1 3.22Å; Y208-H234 AromaticContact CE1-CE1 3.63Å; Y208-H234 HydrophobicContact CE2-CB 4.24Å; Y208-H234 AromaticContact CE2-CE1 3.64Å; Y208-H234 AromaticContact CE2-CG 3.67Å; Y208-H234 AromaticContact CE2-ND1 3.35Å; Y208-H234 VanDerWaalsContact CE2-ND1 3.35Å; Y208-H234 WeakPolarHBondContact CE2-ND1 3.47Å; Y208-H234 AromaticContact CG-CE1 3.86Å; Y208-H234 AromaticContact CG-ND1 3.74Å; Y208-H234 AromaticContact CZ-CE1 3.53Å; Y208-H234 AromaticContact CZ-ND1 3.75Å; Y208-H234 AromaticContact CZ-NE2 3.79Å
209V98.1Very high98.3Very high31 Ų3152.2 Ų52.219%0.18829%0.285CS..THydrogen-bonded Turntrans-131.544178.1-158.60000110.5I114 A115 P202 P207 L217I114-V209 VanDerWaalsContact N-CG2 3.33Å; A115-V209 HydrophobicContact CB-CG1 4.42Å; P202-V209 HydrophobicContact CB-CB 3.86Å; P202-V209 HydrophobicContact CB-CG2 4.01Å; P202-V209 HydrophobicContact CG-CB 3.67Å; P202-V209 HydrophobicContact CG-CG1 3.92Å; P202-V209 HydrophobicContact CG-CG2 3.93Å; P207-V209 VanDerWaalsContact C-N 3.28Å; P207-V209 PolarHBondContact O-N 2.66Å; V209-L217 HydrophobicContact CG1-CD1 3.75Å
210S96.8Very high98.3Very high31 Ų3152 Ų5222%0.21728%0.284CS..  trans-78.4164.5178.543.60000112.1P207 Q212 Y213P207-S210 PolarHBondContact O-N 3.43Å; P207-S210 PolarHBondContact O-OG 3.18Å; S210-Q212 PolarHBondContact O-N 3.41Å; S210-Q212 VanDerWaalsContact O-N 3.11Å; S210-Q212 PolarHBondContact OG-NE2 3.49Å; S210-Q212 PolarHBondContact OG-OE1 2.91Å; S210-Y213 PolarHBondContact O-N 3.31Å
211E97.3Very high98.3Very high140 Ų14052 Ų5265%0.65428%0.284SS*.G310 helixtrans-53.9-35.3-169.6-17460.9-159.200113.6Y213 R214E211-Y213 PolarHBondContact O-N 3.45Å; E211-R214 WeakPolarHBondContact O-CB 3.36Å; E211-R214 PolarHBondContact O-N 2.89Å; E211-R214 WeakPolarHBondContact OE1-CD 3.49Å; E211-R214 WeakPolarHBondContact OE2-CD 3.31Å
212Q97.9Very high98.2Very high129 Ų12954.7 Ų54.760%0.60330%0.302SS*.G310 helixtrans-63.1-15179.470.3-872100114.4S210S210-Q212 PolarHBondContact O-N 3.41Å; S210-Q212 VanDerWaalsContact O-N 3.11Å; S210-Q212 PolarHBondContact OG-NE2 3.49Å; S210-Q212 PolarHBondContact OG-OE1 2.91Å
213Y98.3Very high98.2Very high39 Ų3958.7 Ų58.715%0.15332%0.32CS..G310 helixtrans-100.9-2.3176.9-53.2-47.7000112.9A115 V117 Y119 P207 S210 E211 D215 L217A115-Y213 HydrophobicContact CB-CG 4.5Å; V117-Y213 HydrophobicContact CB-CD1 4.23Å; V117-Y213 HydrophobicContact CG1-CD1 4.09Å; V117-Y213 HydrophobicContact CG1-CG 4.31Å; V117-Y213 HydrophobicContact CG2-CD1 3.74Å; V117-Y213 HydrophobicContact CG2-CD2 4.39Å; V117-Y213 HydrophobicContact CG2-CE1 4.07Å; V117-Y213 HydrophobicContact CG2-CG 3.92Å; Y119-Y213 HydrophobicContact CD1-CE1 4.48Å; Y119-Y213 AromaticContact CD1-CE2 3.97Å; Y119-Y213 HydrophobicContact CD1-CE2 3.97Å; Y119-Y213 AromaticContact CD1-CZ 3.81Å; Y119-Y213 HydrophobicContact CE1-CD2 4.25Å; Y119-Y213 AromaticContact CE1-CE2 3.82Å; Y119-Y213 HydrophobicContact CE1-CE2 3.82Å; P207-Y213 WeakPolarHBondContact O-CE2 3.38Å; S210-Y213 PolarHBondContact O-N 3.31Å; E211-Y213 PolarHBondContact O-N 3.45Å; Y213-D215 PolarHBondContact O-N 2.87Å; Y213-L217 WeakPolarHBondContact O-CB 3.43Å; Y213-L217 PolarHBondContact O-N 2.65Å
214R98.2Very high98.3Very high120 Ų12059.9 Ų59.945%0.45333%0.329SS..Hα-helixtrans-63.4-42.3-171.4-173.1178.4-179.3-78.3-3.7112.8E211 L217 L218E211-R214 WeakPolarHBondContact O-CB 3.36Å; E211-R214 PolarHBondContact O-N 2.89Å; E211-R214 WeakPolarHBondContact OE1-CD 3.49Å; E211-R214 WeakPolarHBondContact OE2-CD 3.31Å; R214-L217 PolarHBondContact O-N 3.05Å; R214-L218 HydrophobicContact CG-CD1 4.08Å; R214-L218 HydrophobicContact CG-CG 4.46Å; R214-L218 VanDerWaalsContact CZ-CD1 3.47Å; R214-L218 VanDerWaalsContact NH1-CD1 3.32Å; R214-L218 WeakPolarHBondContact O-CG 3.2Å; R214-L218 PolarHBondContact O-N 3.41Å
215D98.5Very high98.3Very high124 Ų12463.2 Ų63.266%0.66333%0.329SS*.Hα-helixtrans-66.1-47.3-178.3-69.4-19.2000111.5Y213 L217 L218 A219Y213-D215 PolarHBondContact O-N 2.87Å; D215-L217 VanDerWaalsContact C-N 3.3Å; D215-L217 PolarHBondContact O-N 2.93Å; D215-L218 PolarHBondContact O-N 3.03Å; D215-A219 WeakPolarHBondContact O-CB 3.26Å; D215-A219 PolarHBondContact O-N 3.22Å
216D98.7Very high98.3Very high59 Ų5961 Ų6132%0.31633%0.328SS..Hα-helixtrans-62.7-37175.1-90.9-0.4000111.5V117 K190 Q220V117-D216 HydrophobicContact CG1-CB 3.71Å; K190-D216 VanDerWaalsContact CE-OD1 3.23Å; K190-D216 WeakPolarHBondContact CE-OD1 3.36Å; K190-D216 WeakPolarHBondContact CE-OD2 3.32Å; K190-D216 IonicContact NZ-OD1 3.14Å; K190-D216 PolarHBondContact NZ-OD1 2.57Å; K190-D216 IonicContact NZ-OD2 2.69Å; K190-D216 PolarHBondContact NZ-OD2 2.84Å; D216-Q220 PolarHBondContact O-N 2.97Å; D216-Q220 PolarHBondContact O-NE2 2.96Å
217L98.8Very high98.3Very high13 Ų1363.8 Ų63.87%0.06834%0.339CS..Hα-helixtrans-63.3-49.6175.6-175.7157.2000111.4A115 P116 F200 V209 Y213 R214 D215 A219 Q220 F221 A224A115-L217 HydrophobicContact CB-CD1 4.31Å; P116-L217 HydrophobicContact CG-CB 4.4Å; P116-L217 HydrophobicContact CG-CG 4.45Å; F200-L217 HydrophobicContact CD1-CD1 3.84Å; F200-L217 HydrophobicContact CD2-CD2 4.48Å; F200-L217 HydrophobicContact CE1-CD1 3.83Å; F200-L217 HydrophobicContact CE1-CG 4.2Å; F200-L217 HydrophobicContact CE2-CD2 4.23Å; F200-L217 HydrophobicContact CG-CD1 4.27Å; F200-L217 HydrophobicContact CZ-CD1 4.25Å; F200-L217 HydrophobicContact CZ-CD2 4.35Å; F200-L217 HydrophobicContact CZ-CG 4.15Å; V209-L217 HydrophobicContact CG1-CD1 3.75Å; Y213-L217 WeakPolarHBondContact O-CB 3.43Å; Y213-L217 PolarHBondContact O-N 2.65Å; R214-L217 PolarHBondContact O-N 3.05Å; D215-L217 VanDerWaalsContact C-N 3.3Å; D215-L217 PolarHBondContact O-N 2.93Å; L217-A219 VanDerWaalsContact C-N 3.35Å; L217-A219 PolarHBondContact O-N 3.49Å; L217-Q220 PolarHBondContact O-N 3.05Å; L217-F221 PolarHBondContact O-N 3.25Å; L217-A224 HydrophobicContact CD2-CB 3.46Å; L217-A224 VanDerWaalsContact CD2-CB 3.46Å
218L98.8Very high98.4Very high51 Ų5164.7 Ų64.727%0.26734%0.343SS..Hα-helixtrans-72-27-178.2-69.1178.5000113.2R214 D215 Q220 F221 P222 A224R214-L218 HydrophobicContact CG-CD1 4.08Å; R214-L218 HydrophobicContact CG-CG 4.46Å; R214-L218 VanDerWaalsContact CZ-CD1 3.47Å; R214-L218 VanDerWaalsContact NH1-CD1 3.32Å; R214-L218 WeakPolarHBondContact O-CG 3.2Å; R214-L218 PolarHBondContact O-N 3.41Å; D215-L218 PolarHBondContact O-N 3.03Å; L218-Q220 PolarHBondContact O-N 3.45Å; L218-F221 CarbonylContact O-C 3.48Å; L218-P222 VanDerWaalsContact O-CA 3.23Å; L218-P222 WeakPolarHBondContact O-CA 3.45Å; L218-A224 HydrophobicContact CD2-CB 4.07Å
219A98.8Very high98.4Very high67 Ų6764 Ų6455%0.55434%0.341SS*.Hα-helixtrans-63.7-30.6172.500000112.6D215 L217D215-A219 WeakPolarHBondContact O-CB 3.26Å; D215-A219 PolarHBondContact O-N 3.22Å; L217-A219 VanDerWaalsContact C-N 3.35Å; L217-A219 PolarHBondContact O-N 3.49Å
220Q98.8Very high98.4Very high4 Ų466.6 Ų66.62%0.01937%0.365CS..Hα-helixtrans-99-29.8-178.1-64.9170.79700112.3P116 I191 A193 W194 D216 L217 L218P116-Q220 HydrophobicContact CG-CB 4.39Å; P116-Q220 PolarHBondContact O-NE2 3.07Å; I191-Q220 HydrophobicContact CG1-CB 3.97Å; I191-Q220 HydrophobicContact CG1-CG 3.99Å; I191-Q220 VanDerWaalsContact N-OE1 3.09Å; A193-Q220 CarbonylContact C-O 3.57Å; A193-Q220 WeakPolarHBondContact CA-O 3.31Å; W194-Q220 PolarHBondContact N-O 3.25Å; D216-Q220 PolarHBondContact O-N 2.97Å; D216-Q220 PolarHBondContact O-NE2 2.96Å; L217-Q220 PolarHBondContact O-N 3.05Å; L218-Q220 PolarHBondContact O-N 3.45Å
221F98.9Very high98.4Very high0 Ų066.9 Ų66.90%037%0.374CS..  trans-129.575.3178.6-66.6-86.2000109.7M96 T99 L109 P116 I191 W194 A198 F200 L217 L218 Q223 A224M96-F221 HydrophobicContact CB-CE2 3.93Å; M96-F221 HydrophobicContact CB-CZ 3.63Å; M96-F221 HydrophobicContact CG-CE1 4.36Å; M96-F221 HydrophobicContact CG-CE2 3.67Å; M96-F221 HydrophobicContact CG-CZ 3.44Å; M96-F221 VanDerWaalsContact CG-CZ 3.44Å; M96-F221 HydrophobicContact SD-CD2 4.31Å; M96-F221 HydrophobicContact SD-CE2 3.58Å; M96-F221 VanDerWaalsContact SD-CE2 3.58Å; M96-F221 HydrophobicContact SD-CZ 4.01Å; T99-F221 HydrophobicContact CG2-CE1 4.09Å; T99-F221 HydrophobicContact CG2-CZ 4.34Å; L109-F221 HydrophobicContact CD1-CE1 4.07Å; P116-F221 HydrophobicContact CB-CE2 4.31Å; P116-F221 HydrophobicContact CG-CD2 4.09Å; P116-F221 HydrophobicContact CG-CE2 4.14Å; I191-F221 HydrophobicContact CD1-CE2 3.9Å; I191-F221 HydrophobicContact CD1-CZ 3.84Å; W194-F221 HydrophobicContact CB-CD1 4.29Å; W194-F221 HydrophobicContact CB-CE1 4.13Å; W194-F221 HydrophobicContact CD2-CE1 4.41Å; W194-F221 AromaticContact CE3-CD1 3.88Å; W194-F221 HydrophobicContact CE3-CD1 3.88Å; W194-F221 AromaticContact CE3-CE1 3.79Å; W194-F221 HydrophobicContact CE3-CE1 3.79Å; A198-F221 HydrophobicContact CB-CD1 3.69Å; A198-F221 HydrophobicContact CB-CE1 4.39Å; A198-F221 HydrophobicContact CB-CG 4.41Å; F200-F221 HydrophobicContact CE2-CB 4.01Å; F200-F221 HydrophobicContact CE2-CD1 4.42Å; F200-F221 HydrophobicContact CE2-CD2 4.39Å; F200-F221 HydrophobicContact CE2-CG 4.01Å; F200-F221 HydrophobicContact CZ-CB 4.25Å; F200-F221 HydrophobicContact CZ-CD1 4.43Å; F200-F221 AromaticContact CZ-CD2 3.81Å; F200-F221 HydrophobicContact CZ-CD2 3.81Å; F200-F221 HydrophobicContact CZ-CE2 4.32Å; F200-F221 AromaticContact CZ-CG 3.89Å; F200-F221 HydrophobicContact CZ-CG 3.89Å; L217-F221 PolarHBondContact O-N 3.25Å; L218-F221 CarbonylContact O-C 3.48Å; F221-Q223 PolarHBondContact O-N 2.99Å; F221-Q223 VanDerWaalsContact O-N 3.11Å; F221-A224 HydrophobicContact CB-CB 3.95Å; F221-A224 WeakPolarHBondContact O-CB 3.42Å; F221-A224 PolarHBondContact O-N 2.99Å
222P98.8Very high98.5Very high58 Ų5860.2 Ų60.238%0.37734%0.343SS..THydrogen-bonded Turntrans-62.6-22.5-173.723.3-33.9000113.7A193 D195 L218A193-P222 HydrophobicContact CB-CG 4.2Å; D195-P222 WeakPolarHBondContact OD1-CG 3.44Å; L218-P222 VanDerWaalsContact O-CA 3.23Å; L218-P222 WeakPolarHBondContact O-CA 3.45Å
223Q98.7Very high98.4Very high90 Ų9054.8 Ų54.842%0.42132%0.321SS..THydrogen-bonded Turntrans-104.525.2175.3-58.4-176.7-79.100112.9D195 H196 A198 F221 R225D195-Q223 PolarHBondContact O-OE1 3.48Å; H196-Q223 VanDerWaalsContact N-OE1 3.1Å; A198-Q223 PolarHBondContact N-O 3.07Å; F221-Q223 PolarHBondContact O-N 2.99Å; F221-Q223 VanDerWaalsContact O-N 3.11Å; Q223-R225 PolarHBondContact O-N 2.93Å
224A98.7Very high98.4Very high26 Ų2654 Ų5422%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-59.9134.1176.600000112A198 F200 L217 L218 F221A198-A224 CarbonylContact O-C 3.55Å; A198-A224 WeakPolarHBondContact O-CA 3.46Å; F200-A224 HydrophobicContact CD2-CB 3.77Å; F200-A224 HydrophobicContact CE2-CB 3.72Å; L217-A224 HydrophobicContact CD2-CB 3.46Å; L217-A224 VanDerWaalsContact CD2-CB 3.46Å; L218-A224 HydrophobicContact CD2-CB 4.07Å; F221-A224 HydrophobicContact CB-CB 3.95Å; F221-A224 WeakPolarHBondContact O-CB 3.42Å; F221-A224 PolarHBondContact O-N 2.99Å
225R98.4Very high98.3Very high110 Ų11050.7 Ų50.742%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-114.4115.1173.5-59.2177.7-176.8-179.40.9107.8A198 F200 Q223 D254A198-R225 PolarHBondContact O-N 3.48Å; F200-R225 PolarHBondContact N-O 2.93Å; Q223-R225 PolarHBondContact O-N 2.93Å; R225-D254 IonicContact CZ-OD2 3.79Å; R225-D254 IonicContact NH1-OD2 3.14Å; R225-D254 PolarHBondContact NH1-OD2 3.28Å
226A98.3Very high98.3Very high77 Ų7744.8 Ų44.864%0.63628%0.275SS*.EExtended strand (participates in β ladder)trans-94.8131.9177.400000111.1F200F200-A226 CarbonylContact O-C 3.52Å; F200-A226 WeakPolarHBondContact O-CA 3.36Å
227H98.4Very high98.2Very high77 Ų7742.1 Ų42.136%0.35626%0.26SS..  trans-126.291.9172-168.282.3000110.1L199 F200 A247L199-H227 HydrophobicContact CD1-CB 4.26Å; F200-H227 PolarHBondContact O-N 3.08Å; H227-A247 HydrophobicContact CB-CB 4.2Å; H227-A247 VanDerWaalsContact CD2-CB 3.45Å; H227-A247 WeakPolarHBondContact CD2-CB 3.44Å
228V98.6Very high98.1Very high89 Ų8944.8 Ų44.854%0.53928%0.284SS..  trans-73127.7-177.2-176.60000110.7P202P202-V228 HydrophobicContact CB-CG2 4.25Å; P202-V228 HydrophobicContact CG-CG2 4.12Å; P202-V228 WeakPolarHBondContact O-CA 3.47Å
229I98.7Very high98Very high9 Ų946.4 Ų46.45%0.04629%0.29CS..BIsolated β-bridgetrans-93.2104.4176.4-53.2-57.2000109.4I201 P202 G204 A232 V236 K240 A243 V244I201-I229 HydrophobicContact CG2-CD1 4.1Å; I201-I229 HydrophobicContact CG2-CG1 3.6Å; P202-I229 PolarHBondContact O-N 2.89Å; G204-I229 PolarHBondContact N-O 2.96Å; I229-A232 HydrophobicContact CB-CB 4.2Å; I229-A232 HydrophobicContact CG2-CB 3.87Å; I229-A232 PolarHBondContact O-N 2.9Å; I229-V236 HydrophobicContact CB-CG1 3.63Å; I229-V236 HydrophobicContact CG1-CG1 3.53Å; I229-V236 HydrophobicContact CG2-CG1 4Å; I229-K240 HydrophobicContact CG2-CB 3.73Å; I229-K240 HydrophobicContact CG2-CG 3.86Å; I229-A243 HydrophobicContact CD1-CB 3.92Å; I229-A243 HydrophobicContact CG2-CB 4.04Å; I229-V244 HydrophobicContact CG1-CG2 4.35Å
230A98.1Very high98Very high85 Ų8547.1 Ų47.170%0.70228%0.281SS*.THydrogen-bonded Turntrans-58.6139.7179.600000112.3A232A230-A232 VanDerWaalsContact C-N 3.28Å; A230-A232 PolarHBondContact O-N 2.81Å
231G97.6Very high97.9Very high38 Ų3848.3 Ų48.339%0.39229%0.289SS..THydrogen-bonded Turntrans65.427.3177.100000114.5K240G231-K240 PolarHBondContact O-NZ 2.77Å
232A97.9Very high97.9Very high0 Ų053.6 Ų53.60%032%0.318CS..  trans-119.1139.1173.800000111.4G203 G204 N205 I229 A230 V236 E239 K240G203-A232 CarbonylContact C-O 3.53Å; G203-A232 VanDerWaalsContact C-O 3.23Å; G203-A232 VanDerWaalsContact CA-O 3.27Å; G203-A232 WeakPolarHBondContact CA-O 3.21Å; G204-A232 PolarHBondContact N-O 3.36Å; N205-A232 WeakPolarHBondContact CB-O 2.97Å; N205-A232 PolarHBondContact N-O 3.46Å; I229-A232 HydrophobicContact CB-CB 4.2Å; I229-A232 HydrophobicContact CG2-CB 3.87Å; I229-A232 PolarHBondContact O-N 2.9Å; A230-A232 VanDerWaalsContact C-N 3.28Å; A230-A232 PolarHBondContact O-N 2.81Å; A232-V236 HydrophobicContact CB-CG1 3.93Å; A232-E239 VanDerWaalsContact CA-OE2 3.25Å; A232-E239 WeakPolarHBondContact CA-OE2 3.46Å; A232-K240 HydrophobicContact CB-CG 4.01Å
233G96.9Very high97.9Very high15 Ų1551.7 Ų51.716%0.15531%0.306CS..  trans-84.5-152.3171.200000113.1V236 E239G233-V236 VanDerWaalsContact O-CG2 3.26Å; G233-V236 WeakPolarHBondContact O-CG2 3.2Å; G233-E239 WeakPolarHBondContact CA-OE1 3.4Å; G233-E239 VanDerWaalsContact N-CD 3.31Å; G233-E239 PolarHBondContact N-OE1 3.35Å; G233-E239 VanDerWaalsContact N-OE1 3.1Å; G233-E239 PolarHBondContact N-OE2 3.28Å
234H97.1Very high97.9Very high21 Ų2147.4 Ų47.410%0.09729%0.286CS..SBendtrans-68.3-35.1-173.6-17552.6000114.1H88 S89 D113 Y208 V236H88-H234 AromaticContact CE1-CD2 3.95Å; H88-H234 AromaticContact CE1-NE2 3.7Å; H88-H234 AromaticContact NE2-CD2 3.93Å; H88-H234 AromaticContact NE2-CE1 3.77Å; H88-H234 AromaticContact NE2-NE2 3.68Å; H88-H234 PolarHBondContact NE2-O 3.45Å; S89-H234 VanDerWaalsContact CB-NE2 3.33Å; S89-H234 WeakPolarHBondContact CB-NE2 3.48Å; S89-H234 PolarHBondContact OG-CE1 3.28Å; S89-H234 VanDerWaalsContact OG-CE1 3.3Å; S89-H234 PolarHBondContact OG-NE2 3.22Å; D113-H234 PolarHBondContact O-CE1 3.09Å; D113-H234 VanDerWaalsContact OD2-CA 3.32Å; D113-H234 WeakPolarHBondContact OD2-CA 3.38Å; D113-H234 IonicContact OD2-CE1 2.77Å; D113-H234 IonicContact OD2-CG 2.73Å; D113-H234 IonicContact OD2-ND1 3.22Å; D113-H234 PolarHBondContact OD2-ND1 3Å; Y208-H234 AromaticContact CD1-CE1 3.78Å; Y208-H234 AromaticContact CD2-CE1 3.81Å; Y208-H234 AromaticContact CD2-ND1 3.35Å; Y208-H234 VanDerWaalsContact CD2-ND1 3.35Å; Y208-H234 WeakPolarHBondContact CD2-ND1 3.22Å; Y208-H234 AromaticContact CE1-CE1 3.63Å; Y208-H234 HydrophobicContact CE2-CB 4.24Å; Y208-H234 AromaticContact CE2-CE1 3.64Å; Y208-H234 AromaticContact CE2-CG 3.67Å; Y208-H234 AromaticContact CE2-ND1 3.35Å; Y208-H234 VanDerWaalsContact CE2-ND1 3.35Å; Y208-H234 WeakPolarHBondContact CE2-ND1 3.47Å; Y208-H234 AromaticContact CG-CE1 3.86Å; Y208-H234 AromaticContact CG-ND1 3.74Å; Y208-H234 AromaticContact CZ-CE1 3.53Å; Y208-H234 AromaticContact CZ-ND1 3.75Å; Y208-H234 AromaticContact CZ-NE2 3.79Å; H234-V236 PolarHBondContact O-N 3.1Å; H234-V236 VanDerWaalsContact O-N 3.12Å
235W96.1Very high97.9Very high52 Ų5246.8 Ų46.820%0.19728%0.28CS..  trans-89.958.9176.9-65.6-92.4000110.6H88 V158 F161 H237 A238 E239H88-W235 AromaticContact CE1-CD1 3.7Å; H88-W235 AromaticContact CE1-NE1 3.95Å; V158-W235 HydrophobicContact CB-CH2 4.47Å; V158-W235 HydrophobicContact CG1-CH2 4.2Å; V158-W235 HydrophobicContact CG2-CE3 4.46Å; V158-W235 HydrophobicContact CG2-CH2 3.64Å; V158-W235 HydrophobicContact CG2-CZ3 3.56Å; F161-W235 AromaticContact CD1-CZ2 3.99Å; F161-W235 HydrophobicContact CD1-CZ2 3.99Å; F161-W235 AromaticContact CD2-NE1 3.55Å; F161-W235 HydrophobicContact CE1-CZ2 4Å; F161-W235 AromaticContact CE1-NE1 3.89Å; F161-W235 AromaticContact CE2-NE1 3.4Å; F161-W235 AromaticContact CG-NE1 3.88Å; F161-W235 AromaticContact CZ-NE1 3.61Å; W235-H237 PolarHBondContact O-N 3Å; W235-H237 VanDerWaalsContact O-N 3.08Å; W235-A238 HydrophobicContact CB-CB 3.96Å; W235-A238 WeakPolarHBondContact O-CA 3.37Å; W235-A238 WeakPolarHBondContact O-CB 3.49Å; W235-A238 PolarHBondContact O-N 3.31Å; W235-E239 PolarHBondContact O-N 2.89Å; W235-E239 VanDerWaalsContact O-N 3.12Å
236V98.1Very high97.9Very high0 Ų049.4 Ų49.40%029%0.289CS..Hα-helixtrans-49.7-41.8-174.2-1670000112.7I112 D113 I201 I229 A232 G233 H234 A238 E239 K240 V244I112-V236 HydrophobicContact CG2-CB 4.04Å; I112-V236 HydrophobicContact CG2-CG2 4.19Å; D113-V236 HydrophobicContact CB-CG2 3.74Å; I201-V236 HydrophobicContact CG2-CG1 4.39Å; I229-V236 HydrophobicContact CB-CG1 3.63Å; I229-V236 HydrophobicContact CG1-CG1 3.53Å; I229-V236 HydrophobicContact CG2-CG1 4Å; A232-V236 HydrophobicContact CB-CG1 3.93Å; G233-V236 VanDerWaalsContact O-CG2 3.26Å; G233-V236 WeakPolarHBondContact O-CG2 3.2Å; H234-V236 PolarHBondContact O-N 3.1Å; H234-V236 VanDerWaalsContact O-N 3.12Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.4Å; V236-E239 PolarHBondContact O-N 3.38Å; V236-K240 PolarHBondContact O-N 2.85Å; V236-V244 HydrophobicContact CB-CG2 4.16Å; V236-V244 HydrophobicContact CG1-CG2 3.54Å
237H97.4Very high97.9Very high3 Ų346 Ų461%0.01426%0.261CS..Hα-helixtrans-70-25.3179.656.7-81.9000113.5N31 V34 L35 H88 W235 P241 V244N31-H237 PolarHBondContact O-CD2 3.24Å; V34-H237 WeakPolarHBondContact CG1-O 3.19Å; L35-H237 HydrophobicContact CD1-CB 4.22Å; L35-H237 HydrophobicContact CD2-CB 4.28Å; L35-H237 HydrophobicContact CG-CB 4.35Å; H88-H237 AromaticContact CD2-CE1 3.67Å; H88-H237 AromaticContact CD2-ND1 3.89Å; H88-H237 AromaticContact CE1-CE1 3.85Å; H88-H237 AromaticContact CG-CE1 3.46Å; H88-H237 VanDerWaalsContact CG-CE1 3.46Å; H88-H237 AromaticContact CG-ND1 3.99Å; H88-H237 AromaticContact ND1-CE1 3.59Å; H88-H237 AromaticContact NE2-CE1 3.89Å; W235-H237 PolarHBondContact O-N 3Å; W235-H237 VanDerWaalsContact O-N 3.08Å; H237-P241 WeakPolarHBondContact O-CA 3.41Å; H237-P241 WeakPolarHBondContact O-CB 3.4Å; H237-V244 HydrophobicContact CB-CG1 4.46Å
238A96.5Very high98Very high69 Ų6942.3 Ų42.357%0.5724%0.244SC*.Hα-helixtrans-80.7-35.7173.500000111.6W235 V236W235-A238 HydrophobicContact CB-CB 3.96Å; W235-A238 WeakPolarHBondContact O-CA 3.37Å; W235-A238 WeakPolarHBondContact O-CB 3.49Å; W235-A238 PolarHBondContact O-N 3.31Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.4Å
239E96.9Very high98Very high84 Ų8440.8 Ų40.839%0.39323%0.229SC..Hα-helixtrans-85.9-35.4-175.2-66.6178.6-138.600114.1A232 G233 W235 V236A232-E239 VanDerWaalsContact CA-OE2 3.25Å; A232-E239 WeakPolarHBondContact CA-OE2 3.46Å; G233-E239 WeakPolarHBondContact CA-OE1 3.4Å; G233-E239 VanDerWaalsContact N-CD 3.31Å; G233-E239 PolarHBondContact N-OE1 3.35Å; G233-E239 VanDerWaalsContact N-OE1 3.1Å; G233-E239 PolarHBondContact N-OE2 3.28Å; W235-E239 PolarHBondContact O-N 2.89Å; W235-E239 VanDerWaalsContact O-N 3.12Å; V236-E239 PolarHBondContact O-N 3.38Å
240K98.2Very high97.9Very high82 Ų8249 Ų4936%0.35726%0.259SS..  trans-140.555.5-174.5-58-66.2177.4-620111.4I229 G231 A232 V236 D242 A243 V244I229-K240 HydrophobicContact CG2-CB 3.73Å; I229-K240 HydrophobicContact CG2-CG 3.86Å; G231-K240 PolarHBondContact O-NZ 2.77Å; A232-K240 HydrophobicContact CB-CG 4.01Å; V236-K240 PolarHBondContact O-N 2.85Å; K240-D242 VanDerWaalsContact C-N 3.3Å; K240-D242 PolarHBondContact O-N 2.91Å; K240-A243 HydrophobicContact CB-CB 4.15Å; K240-A243 PolarHBondContact O-N 2.75Å; K240-A243 VanDerWaalsContact O-N 3.08Å; K240-V244 PolarHBondContact O-N 2.95Å; K240-V244 VanDerWaalsContact O-N 3.16Å
241P98.2Very high98Very high30 Ų3045.4 Ų45.420%0.19523%0.227CC..Hα-helixtrans-53.7-42.9-174.620.4-32.5000113.3V34 H237 A243 V244 L245V34-P241 HydrophobicContact CG1-CB 4.35Å; V34-P241 HydrophobicContact CG2-CB 3.57Å; V34-P241 HydrophobicContact CG2-CG 4.17Å; H237-P241 WeakPolarHBondContact O-CA 3.41Å; H237-P241 WeakPolarHBondContact O-CB 3.4Å; P241-A243 VanDerWaalsContact C-N 3.31Å; P241-A243 PolarHBondContact O-N 3.11Å; P241-V244 PolarHBondContact O-N 2.98Å; P241-L245 WeakPolarHBondContact O-CB 3.48Å; P241-L245 WeakPolarHBondContact O-CG 3.5Å; P241-L245 PolarHBondContact O-N 2.65Å
242D98.5Very high98Very high111 Ų11144.6 Ų44.659%0.59421%0.214SC*.Hα-helixtrans-63.5-36.7-178.7-55-28.1000112.6K240 R246K240-D242 VanDerWaalsContact C-N 3.3Å; K240-D242 PolarHBondContact O-N 2.91Å; D242-R246 WeakPolarHBondContact O-CG 3.5Å; D242-R246 PolarHBondContact O-N 3.35Å; D242-R246 PolarHBondContact O-NH1 3.11Å
243A98.6Very high97.9Very high17 Ų1750.9 Ų50.914%0.1425%0.247CC..Hα-helixtrans-71.4-40.2178.800000111.1I229 K240 P241 R246 A247I229-A243 HydrophobicContact CD1-CB 3.92Å; I229-A243 HydrophobicContact CG2-CB 4.04Å; K240-A243 HydrophobicContact CB-CB 4.15Å; K240-A243 PolarHBondContact O-N 2.75Å; K240-A243 VanDerWaalsContact O-N 3.08Å; P241-A243 VanDerWaalsContact C-N 3.31Å; P241-A243 PolarHBondContact O-N 3.11Å; A243-R246 PolarHBondContact O-N 2.79Å; A243-A247 PolarHBondContact O-N 3.05Å; A243-A247 VanDerWaalsContact O-N 3.17Å
244V98.8Very high97.2Very high0 Ų056.5 Ų56.50%027%0.274CS..Hα-helixtrans-61.4-47.7172.9175.50000110.7L35 I112 I201 I229 V236 H237 K240 P241 R246 A247 I248L35-V244 HydrophobicContact CD1-CG1 4.27Å; L35-V244 HydrophobicContact CD2-CB 4.43Å; L35-V244 HydrophobicContact CD2-CG1 3.9Å; I112-V244 HydrophobicContact CD1-CG1 4.24Å; I201-V244 HydrophobicContact CD1-CG1 4.03Å; I201-V244 HydrophobicContact CG2-CG2 4.25Å; I229-V244 HydrophobicContact CG1-CG2 4.35Å; V236-V244 HydrophobicContact CB-CG2 4.16Å; V236-V244 HydrophobicContact CG1-CG2 3.54Å; H237-V244 HydrophobicContact CB-CG1 4.46Å; K240-V244 PolarHBondContact O-N 2.95Å; K240-V244 VanDerWaalsContact O-N 3.16Å; P241-V244 PolarHBondContact O-N 2.98Å; V244-R246 PolarHBondContact O-N 2.85Å; V244-A247 WeakPolarHBondContact O-CB 3.24Å; V244-A247 PolarHBondContact O-N 3.38Å; V244-I248 HydrophobicContact CG1-CD1 3.66Å; V244-I248 HydrophobicContact CG1-CG1 4.37Å; V244-I248 WeakPolarHBondContact O-CG1 3.45Å; V244-I248 PolarHBondContact O-N 3.43Å
245L98.8Very high97.2Very high14 Ų1458.3 Ų58.37%0.07328%0.283CS..Hα-helixtrans-62.6-40.1179.1-77.6168.3000112.9L35 D38 L39 P241 A247 I248 R249L35-L245 HydrophobicContact CB-CD2 4.34Å; L35-L245 HydrophobicContact CD2-CD2 3.84Å; L35-L245 HydrophobicContact CD2-CG 3.8Å; D38-L245 HydrophobicContact CB-CD1 3.55Å; D38-L245 HydrophobicContact CB-CD2 3.78Å; D38-L245 HydrophobicContact CB-CG 4.31Å; L39-L245 HydrophobicContact CD2-CD2 4.36Å; L39-L245 HydrophobicContact CG-CD2 4.18Å; P241-L245 WeakPolarHBondContact O-CB 3.48Å; P241-L245 WeakPolarHBondContact O-CG 3.5Å; P241-L245 PolarHBondContact O-N 2.65Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.02Å; L245-I248 PolarHBondContact O-N 3.28Å; L245-R249 WeakPolarHBondContact O-CB 3.09Å; L245-R249 WeakPolarHBondContact O-CG 3.25Å; L245-R249 PolarHBondContact O-N 3.13Å
246R98.6Very high97.3Very high165 Ų16558.6 Ų58.662%0.62329%0.287SS*.Hα-helixtrans-60.9-42.2173.9-76-170.2-57.1-88.64.9112.2D242 A243 V244 R250D242-R246 WeakPolarHBondContact O-CG 3.5Å; D242-R246 PolarHBondContact O-N 3.35Å; D242-R246 PolarHBondContact O-NH1 3.11Å; A243-R246 PolarHBondContact O-N 2.79Å; V244-R246 PolarHBondContact O-N 2.85Å; R246-R250 WeakPolarHBondContact O-CB 3.34Å; R246-R250 PolarHBondContact O-N 2.98Å
247A98.7Very high97.3Very high5 Ų561.8 Ų61.84%0.04130%0.303CS..Hα-helixtrans-64.9-45.5177.100000111.6L199 I201 H227 A243 V244 L245 Y251L199-A247 HydrophobicContact CD2-CB 4.48Å; I201-A247 HydrophobicContact CD1-CB 4.11Å; H227-A247 HydrophobicContact CB-CB 4.2Å; H227-A247 VanDerWaalsContact CD2-CB 3.45Å; H227-A247 WeakPolarHBondContact CD2-CB 3.44Å; A243-A247 PolarHBondContact O-N 3.05Å; A243-A247 VanDerWaalsContact O-N 3.17Å; V244-A247 WeakPolarHBondContact O-CB 3.24Å; V244-A247 PolarHBondContact O-N 3.38Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.02Å; A247-Y251 PolarHBondContact O-N 3.08Å
248I98.8Very high97.2Very high0 Ų065.3 Ų65.30%032%0.32CS..Hα-helixtrans-58.2-57.3175.7-69166.6000109.9L35 L39 I86 V110 L199 I201 V244 L245 R250 Y251 L252L35-I248 HydrophobicContact CD1-CD1 4.01Å; L35-I248 HydrophobicContact CD2-CD1 4.42Å; L39-I248 HydrophobicContact CD2-CG2 4.12Å; I86-I248 HydrophobicContact CD1-CD1 4.17Å; I86-I248 HydrophobicContact CD1-CG2 3.98Å; I86-I248 HydrophobicContact CG2-CD1 4.45Å; V110-I248 HydrophobicContact CG1-CG1 4.16Å; V110-I248 HydrophobicContact CG2-CG1 4.46Å; L199-I248 HydrophobicContact CD2-CG1 4.48Å; I201-I248 HydrophobicContact CD1-CD1 4.4Å; I201-I248 HydrophobicContact CD1-CG1 3.78Å; V244-I248 HydrophobicContact CG1-CD1 3.66Å; V244-I248 HydrophobicContact CG1-CG1 4.37Å; V244-I248 WeakPolarHBondContact O-CG1 3.45Å; V244-I248 PolarHBondContact O-N 3.43Å; L245-I248 PolarHBondContact O-N 3.28Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 2.78Å; I248-Y251 WeakPolarHBondContact O-CB 3.39Å; I248-Y251 PolarHBondContact O-N 2.97Å; I248-L252 HydrophobicContact CG2-CD1 3.67Å; I248-L252 HydrophobicContact CG2-CG 3.92Å; I248-L252 WeakPolarHBondContact O-CG 3.44Å; I248-L252 PolarHBondContact O-N 2.96Å
249R98.5Very high97.3Very high56 Ų5665.1 Ų65.121%0.21131%0.305CS..Hα-helixtrans-60.5-37.5-176.4-72.8-172170.4-74.5-2.8112.8D38 D42 L245 Y251 L252 N253D38-R249 PolarHBondContact O-NH2 3.14Å; D38-R249 IonicContact OD1-CZ 3.29Å; D38-R249 IonicContact OD1-NE 3.58Å; D38-R249 PolarHBondContact OD1-NE 3.45Å; D38-R249 IonicContact OD1-NH2 4Å; D38-R249 PolarHBondContact OD1-NH2 2.96Å; D42-R249 IonicContact OD1-CZ 2.83Å; D42-R249 IonicContact OD1-NH1 2.7Å; D42-R249 PolarHBondContact OD1-NH1 3.43Å; D42-R249 IonicContact OD1-NH2 3.21Å; D42-R249 PolarHBondContact OD1-NH2 3.14Å; D42-R249 IonicContact OD2-CZ 2.63Å; D42-R249 IonicContact OD2-NH1 3.7Å; D42-R249 PolarHBondContact OD2-NH1 2.68Å; D42-R249 IonicContact OD2-NH2 3.66Å; L245-R249 WeakPolarHBondContact O-CB 3.09Å; L245-R249 WeakPolarHBondContact O-CG 3.25Å; L245-R249 PolarHBondContact O-N 3.13Å; R249-Y251 VanDerWaalsContact C-N 3.32Å; R249-Y251 PolarHBondContact O-N 3.2Å; R249-L252 PolarHBondContact O-N 3.08Å; R249-N253 WeakPolarHBondContact O-CB 3.32Å; R249-N253 PolarHBondContact O-N 3.39Å; R249-N253 PolarHBondContact O-ND2 3.33Å
250R98.4Very high97.3Very high181 Ų18163.8 Ų63.868%0.68330%0.299SS*.Hα-helixtrans-57.8-45.6173.3179.9179.4175.2-178.5-0.7111.6R246 I248R246-R250 WeakPolarHBondContact O-CB 3.34Å; R246-R250 PolarHBondContact O-N 2.98Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 2.78Å
251Y98.6Very high97.3Very high10 Ų1062.5 Ų62.54%0.03930%0.295CS..Hα-helixtrans-71.4-35.2178.3167-116.1000113.2K108 L109 V110 P197 L199 A247 I248 R249 N253 D254K108-Y251 HydrophobicContact CB-CE1 3.69Å; K108-Y251 WeakPolarHBondContact CB-OH 3.32Å; K108-Y251 HydrophobicContact CD-CE1 4.16Å; K108-Y251 HydrophobicContact CG-CE1 4.32Å; K108-Y251 PolarHBondContact NZ-O 3.15Å; L109-Y251 PolarHBondContact N-OH 3.35Å; L109-Y251 VanDerWaalsContact O-CE1 3.29Å; L109-Y251 WeakPolarHBondContact O-CE1 3.31Å; L109-Y251 PolarHBondContact O-OH 3.3Å; V110-Y251 HydrophobicContact CG2-CD1 3.83Å; V110-Y251 HydrophobicContact CG2-CE1 3.85Å; P197-Y251 HydrophobicContact CB-CE2 4.08Å; P197-Y251 PolarHBondContact O-OH 3.03Å; L199-Y251 HydrophobicContact CB-CD1 3.63Å; L199-Y251 HydrophobicContact CB-CD2 4.16Å; L199-Y251 HydrophobicContact CB-CE1 3.91Å; L199-Y251 HydrophobicContact CB-CE2 4.41Å; L199-Y251 HydrophobicContact CB-CG 3.76Å; L199-Y251 HydrophobicContact CD2-CD1 4Å; L199-Y251 HydrophobicContact CD2-CG 4.09Å; L199-Y251 HydrophobicContact CG-CD1 4.44Å; L199-Y251 HydrophobicContact CG-CG 4.43Å; A247-Y251 PolarHBondContact O-N 3.08Å; I248-Y251 WeakPolarHBondContact O-CB 3.39Å; I248-Y251 PolarHBondContact O-N 2.97Å; R249-Y251 VanDerWaalsContact C-N 3.32Å; R249-Y251 PolarHBondContact O-N 3.2Å; Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 PolarHBondContact O-N 2.95Å; Y251-D254 PolarHBondContact O-N 3.23Å
252L98.1Very high97.2Very high22 Ų2265 Ų6512%0.11530%0.302CS..Hα-helixtrans-69.3-27.2177.6-63.9-173.7000112.9I19 L39 T84 K108 I248 R249I19-L252 HydrophobicContact CD1-CD1 3.94Å; L39-L252 HydrophobicContact CD2-CD1 4.22Å; T84-L252 HydrophobicContact CG2-CD2 3.94Å; K108-L252 HydrophobicContact CB-CD2 4.27Å; K108-L252 HydrophobicContact CD-CD2 3.76Å; K108-L252 PolarHBondContact NZ-O 2.85Å; I248-L252 HydrophobicContact CG2-CD1 3.67Å; I248-L252 HydrophobicContact CG2-CG 3.92Å; I248-L252 WeakPolarHBondContact O-CG 3.44Å; I248-L252 PolarHBondContact O-N 2.96Å; R249-L252 PolarHBondContact O-N 3.08Å
253N95.3Very high97.1Very high131 Ų13161.2 Ų61.270%0.70128%0.278SS*.THydrogen-bonded Turntrans-82.6-8.3180-68.3-15.8000114.9R249 Y251R249-N253 WeakPolarHBondContact O-CB 3.32Å; R249-N253 PolarHBondContact O-N 3.39Å; R249-N253 PolarHBondContact O-ND2 3.33Å; Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 PolarHBondContact O-N 2.95Å
254D83.7Confident96.9Very high133 Ų13365.2 Ų65.271%0.71129%0.291SS*.  trans-78.60175.9-66-28.3000112.6K108 R225 Y251K108-D254 PolarHBondContact NZ-OXT 3.3Å; R225-D254 IonicContact CZ-OD2 3.79Å; R225-D254 IonicContact NH1-OD2 3.14Å; R225-D254 PolarHBondContact NH1-OD2 3.28Å; Y251-D254 PolarHBondContact O-N 3.23Å

Retrieved 254 of 254 residues in 366 ms (Link to these results)

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