GST28_SCHMA Loading...

Glutathione S-transferase class-mu 28 kDa isozyme

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.

AlphaFold DB , UniProt , Accession P09792, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene GST28, Length 211 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
1M59.1Low89.9Confident74 Ų7442.5 Ų42.537%0.36525%0.245SC..  0-37.10-52.4-74.8-73.100111.5G3 E4 I6 V29M1-G3 PolarHBondContact O-N 3.14Å; M1-G3 VanDerWaalsContact O-N 3.11Å; M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 3.15Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-I6 HydrophobicContact CE-CD1 3.3Å; M1-I6 HydrophobicContact SD-CD1 4.13Å; M1-V29 HydrophobicContact CE-CB 4.26Å; M1-V29 HydrophobicContact CE-CG1 3.4Å; M1-V29 VanDerWaalsContact CE-CG1 3.4Å; M1-V29 HydrophobicContact CE-CG2 3.86Å
2A65.2Low90.5Very high109 Ų10946.1 Ų46.190%0.90126%0.262SS*.THydrogen-bonded Turntrans-57.4119.8153.200000107.1
3G83.3Confident91Very high24 Ų2442.5 Ų42.525%0.24724%0.242CC..THydrogen-bonded Turntrans90.816.8-179.100000117.5M1 D60 D61M1-G3 PolarHBondContact O-N 3.14Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-D60 CarbonylContact O-C 3.56Å; G3-D60 WeakPolarHBondContact O-CA 3.43Å; G3-D61 WeakPolarHBondContact CA-OD1 3.47Å; G3-D61 WeakPolarHBondContact CA-OD2 3.37Å; G3-D61 PolarHBondContact O-N 3.12Å; G3-D61 VanDerWaalsContact O-N 3.07Å; G3-D61 VanDerWaalsContact O-OD1 3.12Å
4E92.3Very high91.4Very high65 Ų6540.3 Ų40.330%0.30423%0.228SC..EExtended strand (participates in β ladder)trans-120.9123.9175.8-69.2172.6118.900110.2M1 V58 T59M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 3.15Å; M1-E4 PolarHBondContact O-N 3.47Å; E4-V58 HydrophobicContact CB-CG1 4.02Å; E4-V58 HydrophobicContact CG-CG1 4.21Å; E4-T59 WeakPolarHBondContact CA-O 3.48Å
5H97.3Very high91.8Very high97 Ų9738.3 Ų38.345%0.44922%0.22SC..EExtended strand (participates in β ladder)trans-91.9114.8169.8179-94.8000110E32 V58 T59H5-E32 IonicContact CE1-OE2 3.59Å; H5-E32 PolarHBondContact CE1-OE2 3.15Å; H5-E32 IonicContact NE2-OE2 2.56Å; H5-V58 WeakPolarHBondContact O-CA 3.42Å; H5-T59 PolarHBondContact N-O 3.3Å; H5-T59 PolarHBondContact O-N 3.24Å
6I98.5Very high92.2Very high4 Ų439.5 Ų39.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-103.4125-177.3-59.4178000109.3M1 V8 L24 V29 Y31 E32 V56 V58 M78M1-I6 HydrophobicContact CE-CD1 3.3Å; M1-I6 HydrophobicContact SD-CD1 4.13Å; I6-V8 HydrophobicContact CG2-CG2 4.42Å; I6-L24 HydrophobicContact CD1-CD2 4.08Å; I6-L24 HydrophobicContact CG2-CD1 4.18Å; I6-V29 HydrophobicContact CD1-CG1 3.92Å; I6-Y31 CarbonylContact O-C 3.56Å; I6-Y31 VanDerWaalsContact O-CA 3.26Å; I6-Y31 WeakPolarHBondContact O-CA 3.39Å; I6-Y31 WeakPolarHBondContact O-CB 3.48Å; I6-E32 PolarHBondContact O-N 3.26Å; I6-V56 HydrophobicContact CG2-CG1 3.79Å; I6-V58 HydrophobicContact CG1-CG1 4.36Å; I6-V58 HydrophobicContact CG1-CG2 4.33Å; I6-M78 HydrophobicContact CG2-CE 4.17Å
7K98.6Very high92.6Very high36 Ų3637.2 Ų37.216%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-118.8116.8174.1179.6-165.4-74.7-90.60109.6I9 E32 E34 V56 K57K7-I9 HydrophobicContact CD-CD1 3.95Å; K7-I9 HydrophobicContact CD-CG1 3.97Å; K7-I9 HydrophobicContact CG-CD1 4.44Å; K7-I9 HydrophobicContact CG-CG1 3.93Å; K7-E32 CarbonylContact C-O 3.49Å; K7-E32 WeakPolarHBondContact CA-O 3.45Å; K7-E32 HydrophobicContact CB-CB 4.27Å; K7-E32 WeakPolarHBondContact CE-OE2 3.48Å; K7-E32 HydrophobicContact CG-CB 4.26Å; K7-E32 HydrophobicContact CG-CG 4.36Å; K7-E32 IonicContact NZ-OE1 3.74Å; K7-E32 PolarHBondContact NZ-OE1 3.46Å; K7-E32 IonicContact NZ-OE2 3.16Å; K7-E32 PolarHBondContact NZ-OE2 3.42Å; K7-E34 HydrophobicContact CD-CB 4.37Å; K7-E34 VanDerWaalsContact CD-OE2 3.23Å; K7-E34 WeakPolarHBondContact CD-OE2 3.28Å; K7-E34 WeakPolarHBondContact CE-OE2 3.14Å; K7-E34 HydrophobicContact CG-CB 4.03Å; K7-E34 IonicContact NZ-OE2 2.97Å; K7-E34 PolarHBondContact NZ-OE2 2.64Å; K7-V56 WeakPolarHBondContact O-CA 3.41Å; K7-K57 HydrophobicContact CB-CB 4.39Å; K7-K57 PolarHBondContact N-O 3.36Å; K7-K57 PolarHBondContact O-N 3.37Å
8V98.8Very high92.9Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-93.1114.8176-179.10000108.1I6 A17 I20 R21 L24 Y31 E32 E34 V56I6-V8 HydrophobicContact CG2-CG2 4.42Å; V8-A17 HydrophobicContact CG1-CB 4.34Å; V8-I20 HydrophobicContact CG1-CG2 4.42Å; V8-I20 HydrophobicContact CG2-CG2 3.98Å; V8-R21 HydrophobicContact CG1-CG 4.43Å; V8-L24 HydrophobicContact CG2-CD1 3.75Å; V8-Y31 HydrophobicContact CB-CD2 4.04Å; V8-Y31 HydrophobicContact CB-CE2 4.3Å; V8-Y31 HydrophobicContact CG2-CD2 3.6Å; V8-Y31 HydrophobicContact CG2-CE2 4.11Å; V8-Y31 HydrophobicContact CG2-CG 4.31Å; V8-E32 PolarHBondContact N-O 2.94Å; V8-E34 PolarHBondContact O-N 3.33Å; V8-V56 HydrophobicContact CG1-CG2 4.47Å; V8-V56 HydrophobicContact CG2-CG2 4.15Å
9I98.8Very high93.3Very high4 Ų433.7 Ų33.72%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-106.9117.7-175.7-47.6179.7000108.9K7 E34 I36 I48 L53 P54 A55 W67K7-I9 HydrophobicContact CD-CD1 3.95Å; K7-I9 HydrophobicContact CD-CG1 3.97Å; K7-I9 HydrophobicContact CG-CD1 4.44Å; K7-I9 HydrophobicContact CG-CG1 3.93Å; I9-E34 WeakPolarHBondContact CA-O 3.38Å; I9-E34 HydrophobicContact CG1-CB 4.22Å; I9-E34 HydrophobicContact CG2-CG 4.47Å; I9-I36 HydrophobicContact CG2-CD1 4.27Å; I9-I36 HydrophobicContact CG2-CG1 3.82Å; I9-I48 HydrophobicContact CD1-CD1 4.05Å; I9-I48 HydrophobicContact CG2-CD1 4.42Å; I9-L53 HydrophobicContact CB-CD2 4.33Å; I9-L53 HydrophobicContact CG2-CD2 3.9Å; I9-P54 WeakPolarHBondContact O-CA 3.34Å; I9-A55 WeakPolarHBondContact CB-O 3.42Å; I9-A55 PolarHBondContact N-O 2.99Å; I9-A55 PolarHBondContact O-N 3.42Å; I9-A55 VanDerWaalsContact O-N 3.12Å; I9-W67 HydrophobicContact CD1-CH2 3.79Å; I9-W67 HydrophobicContact CD1-CZ3 3.76Å
10Y98.7Very high93.5Very high21 Ų2132 Ų328%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-151.3172.6177.5-161.5-125.7000111.9R16 A17 E34 R35 I36 L53 P54 F211Y10-R16 HydrophobicContact CE2-CB 4.3Å; Y10-R16 PolarHBondContact OH-N 2.89Å; Y10-A17 HydrophobicContact CD1-CB 3.49Å; Y10-A17 VanDerWaalsContact CD1-CB 3.49Å; Y10-A17 HydrophobicContact CD2-CB 4.05Å; Y10-A17 HydrophobicContact CE1-CB 4.16Å; Y10-A17 HydrophobicContact CG-CB 3.42Å; Y10-A17 VanDerWaalsContact CG-CB 3.42Å; Y10-E34 PolarHBondContact N-O 2.78Å; Y10-R35 CarbonylContact O-C 3.58Å; Y10-R35 WeakPolarHBondContact O-CA 3.32Å; Y10-I36 PolarHBondContact O-N 2.73Å; Y10-L53 HydrophobicContact CD2-CB 3.75Å; Y10-L53 HydrophobicContact CE2-CB 4.15Å; Y10-P54 HydrophobicContact CD2-CB 3.55Å; Y10-P54 HydrophobicContact CD2-CG 4.15Å; Y10-P54 HydrophobicContact CE2-CB 4.17Å; Y10-P54 HydrophobicContact CE2-CG 4.27Å; Y10-P54 HydrophobicContact CG-CB 4.23Å; Y10-F211 HydrophobicContact CE1-CE2 4.34Å
11F98.2Very high93.8Very high34 Ų3430.5 Ų30.515%0.14917%0.17CC..EExtended strand (participates in β ladder)trans-63162.5166.5-64.9-68.6000111.1G13 I36 F38 W41 L53 F211F11-G13 PolarHBondContact O-N 3.01Å; F11-I36 WeakPolarHBondContact CA-O 3.45Å; F11-F38 AromaticContact CD1-CD1 3.98Å; F11-F38 HydrophobicContact CD1-CD1 3.98Å; F11-F38 AromaticContact CD1-CE1 3.92Å; F11-F38 HydrophobicContact CD1-CE1 3.92Å; F11-F38 AromaticContact CE1-CD1 3.89Å; F11-F38 HydrophobicContact CE1-CD1 3.89Å; F11-F38 HydrophobicContact CE1-CE1 4.03Å; F11-F38 HydrophobicContact CG-CE1 4.18Å; F11-F38 HydrophobicContact CZ-CE1 4.41Å; F11-W41 HydrophobicContact CE1-CB 3.78Å; F11-W41 AromaticContact CE1-CD1 3.98Å; F11-W41 HydrophobicContact CE1-CD2 4.07Å; F11-W41 AromaticContact CE1-CG 3.66Å; F11-W41 HydrophobicContact CE1-CG 3.66Å; F11-W41 HydrophobicContact CZ-CB 4.45Å; F11-W41 AromaticContact CZ-CD1 3.83Å; F11-W41 AromaticContact CZ-CD2 3.96Å; F11-W41 HydrophobicContact CZ-CD2 3.96Å; F11-W41 AromaticContact CZ-CG 3.83Å; F11-W41 HydrophobicContact CZ-CG 3.83Å; F11-W41 AromaticContact CZ-NE1 3.93Å; F11-L53 HydrophobicContact CD2-CD1 4.4Å; F11-L53 HydrophobicContact CE1-CD1 4.4Å; F11-L53 HydrophobicContact CE2-CD1 4.26Å; F11-L53 HydrophobicContact CZ-CD1 4.26Å; F11-F211 HydrophobicContact CB-CE2 4.34Å; F11-F211 HydrophobicContact CB-CZ 4.06Å
12D97Very high95.7Very high85 Ų8527 Ų2746%0.45515%0.153SC..SBendtrans-70.875.9172.9-170.116.4000112R35 I36D12-R35 HydrophobicContact CB-CB 4.18Å; D12-R35 WeakPolarHBondContact OD1-CD 3.5Å; D12-R35 IonicContact OD1-CZ 3.73Å; D12-R35 IonicContact OD1-NE 3.5Å; D12-R35 IonicContact OD1-NH1 3.27Å; D12-R35 PolarHBondContact OD1-NH1 3.49Å; D12-I36 PolarHBondContact N-O 2.75Å
13G96.6Very high97.3Very high0 Ų021.8 Ų21.80%011%0.11CC..SBendtrans-164.8167-179.200000111.1F11 R21F11-G13 PolarHBondContact O-N 3.01Å; G13-R21 PolarHBondContact O-NH1 2.83Å; G13-R21 PolarHBondContact O-NH2 3.3Å
14R97.8Very high98Very high11 Ų1120.6 Ų20.64%0.04210%0.098CC..SBendtrans-67.2-70.4168.5-69.8164.2-69145-11.6108.5A17 E18 R21 H169 D172 T209 F211R14-A17 PolarHBondContact O-N 3.38Å; R14-E18 WeakPolarHBondContact CA-OE2 3.4Å; R14-E18 HydrophobicContact CB-CB 3.96Å; R14-E18 HydrophobicContact CB-CG 3.91Å; R14-E18 HydrophobicContact CG-CG 4.14Å; R14-E18 PolarHBondContact O-N 3.11Å; R14-R21 PolarHBondContact O-NH1 3.16Å; R14-H169 PolarHBondContact NH1-CD2 2.74Å; R14-H169 VanDerWaalsContact NH1-CD2 3.28Å; R14-D172 IonicContact CZ-OD2 2.75Å; R14-D172 IonicContact NH1-OD2 2.75Å; R14-D172 PolarHBondContact NH1-OD2 2.94Å; R14-D172 VanDerWaalsContact NH2-CG 3.32Å; R14-D172 IonicContact NH2-OD1 2.64Å; R14-D172 PolarHBondContact NH2-OD1 3.43Å; R14-D172 IonicContact NH2-OD2 2.73Å; R14-D172 PolarHBondContact NH2-OD2 2.99Å; R14-T209 PolarHBondContact NH2-O 3.3Å; R14-T209 VanDerWaalsContact NH2-O 3.15Å; R14-F211 PolarHBondContact N-O 2.94Å; R14-F211 PolarHBondContact NE-O 2.94Å
15G97.2Very high98.3Very high11 Ų1118.5 Ų18.511%0.1139%0.09CC..G310 helixtrans39.4-139.7178.100000113.7A17 E18 F211G15-A17 VanDerWaalsContact C-N 3.26Å; G15-A17 PolarHBondContact O-N 3.47Å; G15-E18 PolarHBondContact O-N 3.33Å; G15-F211 WeakPolarHBondContact CA-OXT 3.14Å; G15-F211 PolarHBondContact N-OXT 3.07Å
16R98.4Very high98.4Very high57 Ų5714.4 Ų14.422%0.2157%0.073CC..G310 helixtrans-71.1-16.7-174.7-58.5-59-65.4169.1-5.1114Y10 P54 S71 E103Y10-R16 HydrophobicContact CE2-CB 4.3Å; Y10-R16 PolarHBondContact OH-N 2.89Å; R16-P54 HydrophobicContact CB-CG 4.3Å; R16-S71 WeakPolarHBondContact O-CB 3.03Å; R16-S71 PolarHBondContact O-OG 3.34Å; R16-E103 IonicContact CZ-OE1 3.88Å; R16-E103 IonicContact CZ-OE2 2.66Å; R16-E103 IonicContact NH1-OE1 2.75Å; R16-E103 PolarHBondContact NH1-OE1 3.35Å; R16-E103 IonicContact NH1-OE2 3.7Å; R16-E103 PolarHBondContact NH1-OE2 2.98Å; R16-E103 IonicContact NH2-OE1 3.27Å; R16-E103 IonicContact NH2-OE2 3.88Å; R16-E103 PolarHBondContact NH2-OE2 3.27Å
17A98.7Very high98.4Very high0 Ų015.6 Ų15.60%08%0.083CC..G310 helixtrans-83.7-16.3179.200000113.3V8 Y10 R14 G15 S19 I20 R21 P54V8-A17 HydrophobicContact CG1-CB 4.34Å; Y10-A17 HydrophobicContact CD1-CB 3.49Å; Y10-A17 VanDerWaalsContact CD1-CB 3.49Å; Y10-A17 HydrophobicContact CD2-CB 4.05Å; Y10-A17 HydrophobicContact CE1-CB 4.16Å; Y10-A17 HydrophobicContact CG-CB 3.42Å; Y10-A17 VanDerWaalsContact CG-CB 3.42Å; R14-A17 PolarHBondContact O-N 3.38Å; G15-A17 VanDerWaalsContact C-N 3.26Å; G15-A17 PolarHBondContact O-N 3.47Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.07Å; A17-I20 WeakPolarHBondContact O-CB 3.45Å; A17-I20 PolarHBondContact O-N 3.17Å; A17-R21 PolarHBondContact O-N 3.05Å; A17-P54 HydrophobicContact CB-CB 4.03Å; A17-P54 HydrophobicContact CB-CG 4.47Å
18E98.7Very high98.3Very high0 Ų015.8 Ų15.80%010%0.096CC..Hα-helixtrans-63-37-170.5-161.161.9-16900113.2R14 G15 I20 R21 M22 A165 Y202 R206R14-E18 WeakPolarHBondContact CA-OE2 3.4Å; R14-E18 HydrophobicContact CB-CB 3.96Å; R14-E18 HydrophobicContact CB-CG 3.91Å; R14-E18 HydrophobicContact CG-CG 4.14Å; R14-E18 PolarHBondContact O-N 3.11Å; G15-E18 PolarHBondContact O-N 3.33Å; E18-I20 VanDerWaalsContact C-N 3.28Å; E18-I20 PolarHBondContact O-N 3.08Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE2-CZ 2.71Å; E18-R21 IonicContact OE2-NH1 2.84Å; E18-R21 PolarHBondContact OE2-NH1 3.15Å; E18-M22 HydrophobicContact CG-CE 3.47Å; E18-M22 VanDerWaalsContact CG-CE 3.47Å; E18-M22 HydrophobicContact CG-CG 4.33Å; E18-M22 HydrophobicContact CG-SD 4.25Å; E18-M22 WeakPolarHBondContact O-CB 3.46Å; E18-M22 VanDerWaalsContact O-CG 3.27Å; E18-M22 WeakPolarHBondContact O-CG 3.25Å; E18-M22 PolarHBondContact O-N 3.22Å; E18-A165 HydrophobicContact CB-CB 4.47Å; E18-A165 HydrophobicContact CG-CB 4.45Å; E18-Y202 WeakPolarHBondContact OE1-CE1 3.33Å; E18-Y202 PolarHBondContact OE1-OH 3.07Å; E18-Y202 PolarHBondContact OE2-OH 2.79Å; E18-R206 WeakPolarHBondContact OE1-CD 3.05Å; E18-R206 IonicContact OE1-CZ 3.91Å; E18-R206 IonicContact OE1-NE 3.32Å; E18-R206 IonicContact OE1-NH1 2.76Å; E18-R206 PolarHBondContact OE1-NH1 2.9Å
19S98.7Very high98.3Very high8 Ų816.9 Ų16.96%0.05610%0.102CC..Hα-helixtrans-61.6-35.7173.957.70000112.6A17 T23 L72A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.07Å; S19-T23 VanDerWaalsContact O-CB 3.31Å; S19-T23 WeakPolarHBondContact O-CB 3.28Å; S19-T23 PolarHBondContact O-N 3.18Å; S19-T23 PolarHBondContact O-OG1 2.88Å; S19-L72 WeakPolarHBondContact OG-CD2 3.49Å
20I98.9Very high98.2Very high0 Ų024 Ų240%014%0.14CC..Hα-helixtrans-68.4-50.7176.7-57.5171.6000109.5V8 A17 E18 M22 T23 L24 P54 V56 I74 A75 M78V8-I20 HydrophobicContact CG1-CG2 4.42Å; V8-I20 HydrophobicContact CG2-CG2 3.98Å; A17-I20 WeakPolarHBondContact O-CB 3.45Å; A17-I20 PolarHBondContact O-N 3.17Å; E18-I20 VanDerWaalsContact C-N 3.28Å; E18-I20 PolarHBondContact O-N 3.08Å; I20-M22 PolarHBondContact O-N 2.95Å; I20-T23 PolarHBondContact O-N 3Å; I20-L24 HydrophobicContact CG2-CD1 4.06Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.14Å; I20-P54 HydrophobicContact CD1-CB 4.37Å; I20-P54 HydrophobicContact CD1-CG 4.24Å; I20-V56 HydrophobicContact CD1-CG2 4.15Å; I20-V56 HydrophobicContact CG2-CG2 4.12Å; I20-I74 HydrophobicContact CD1-CB 3.97Å; I20-I74 HydrophobicContact CD1-CD1 3.97Å; I20-I74 HydrophobicContact CD1-CG2 3.97Å; I20-I74 HydrophobicContact CG1-CB 4.26Å; I20-I74 HydrophobicContact CG1-CG2 4.15Å; I20-I74 HydrophobicContact CG2-CG2 4.13Å; I20-A75 HydrophobicContact CG1-CB 4.26Å; I20-M78 HydrophobicContact CG2-CE 4.24Å; I20-M78 HydrophobicContact CG2-SD 3.75Å
21R98.8Very high98.2Very high0 Ų025.6 Ų25.60%015%0.147CC..Hα-helixtrans-55.7-51.8178.6-66-173.5-170.9115.1-1.5111.2V8 G13 R14 A17 E18 T23 L24 V25 Y31 D33 Y202V8-R21 HydrophobicContact CG1-CG 4.43Å; G13-R21 PolarHBondContact O-NH1 2.83Å; G13-R21 PolarHBondContact O-NH2 3.3Å; R14-R21 PolarHBondContact O-NH1 3.16Å; A17-R21 PolarHBondContact O-N 3.05Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE2-CZ 2.71Å; E18-R21 IonicContact OE2-NH1 2.84Å; E18-R21 PolarHBondContact OE2-NH1 3.15Å; R21-T23 VanDerWaalsContact C-N 3.29Å; R21-T23 PolarHBondContact O-N 3.15Å; R21-L24 PolarHBondContact O-N 3.19Å; R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.26Å; R21-V25 WeakPolarHBondContact O-CG2 3.49Å; R21-V25 PolarHBondContact O-N 3.32Å; R21-Y31 WeakPolarHBondContact CB-OH 3.37Å; R21-Y31 HydrophobicContact CG-CE2 4.05Å; R21-D33 IonicContact CZ-OD1 3.17Å; R21-D33 IonicContact NE-OD1 3.23Å; R21-D33 PolarHBondContact NE-OD1 2.99Å; R21-D33 IonicContact NE-OD2 2.8Å; R21-D33 PolarHBondContact NE-OD2 3.3Å; R21-D33 IonicContact NH2-OD1 2.8Å; R21-D33 PolarHBondContact NH2-OD1 3.17Å; R21-Y202 WeakPolarHBondContact CD-OH 3.44Å
22M98.8Very high98.2Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-62.4-36.1179.3-69.6-177.5-177.300112.3E18 I20 V25 A26 L161 I164 A165 L199 Y202 L203 R206E18-M22 HydrophobicContact CG-CE 3.47Å; E18-M22 VanDerWaalsContact CG-CE 3.47Å; E18-M22 HydrophobicContact CG-CG 4.33Å; E18-M22 HydrophobicContact CG-SD 4.25Å; E18-M22 WeakPolarHBondContact O-CB 3.46Å; E18-M22 VanDerWaalsContact O-CG 3.27Å; E18-M22 WeakPolarHBondContact O-CG 3.25Å; E18-M22 PolarHBondContact O-N 3.22Å; I20-M22 PolarHBondContact O-N 2.95Å; M22-V25 PolarHBondContact O-N 2.94Å; M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.5Å; M22-A26 PolarHBondContact O-N 3.47Å; M22-L161 HydrophobicContact CB-CB 4.1Å; M22-L161 HydrophobicContact CB-CD1 4.04Å; M22-L161 HydrophobicContact CB-CD2 4.22Å; M22-L161 HydrophobicContact CB-CG 4.34Å; M22-L161 HydrophobicContact SD-CB 4.33Å; M22-I164 HydrophobicContact CE-CD1 3.77Å; M22-I164 HydrophobicContact CE-CG1 4.03Å; M22-I164 HydrophobicContact SD-CD1 3.6Å; M22-I164 HydrophobicContact SD-CG1 3.8Å; M22-A165 HydrophobicContact CE-CB 4.48Å; M22-L199 HydrophobicContact CB-CD1 3.95Å; M22-L199 HydrophobicContact CG-CD1 3.89Å; M22-L199 HydrophobicContact SD-CD1 4.48Å; M22-Y202 HydrophobicContact CG-CD1 4.49Å; M22-Y202 HydrophobicContact CG-CE1 3.97Å; M22-L203 HydrophobicContact CE-CD2 3.66Å; M22-R206 VanDerWaalsContact CE-NH1 3.3Å
23T98.9Very high98.3Very high0 Ų025.9 Ų25.90%015%0.147CC..Hα-helixtrans-64.7-46.9177.6-60.70000110.9S19 I20 R21 A26 A27 M78 A79 L158 L161S19-T23 VanDerWaalsContact O-CB 3.31Å; S19-T23 WeakPolarHBondContact O-CB 3.28Å; S19-T23 PolarHBondContact O-N 3.18Å; S19-T23 PolarHBondContact O-OG1 2.88Å; I20-T23 PolarHBondContact O-N 3Å; R21-T23 VanDerWaalsContact C-N 3.29Å; R21-T23 PolarHBondContact O-N 3.15Å; T23-A26 PolarHBondContact O-N 3.5Å; T23-A27 VanDerWaalsContact O-CB 3.27Å; T23-A27 WeakPolarHBondContact O-CB 3.4Å; T23-A27 PolarHBondContact O-N 3.24Å; T23-M78 HydrophobicContact CG2-CB 3.74Å; T23-A79 HydrophobicContact CG2-CB 4Å; T23-L158 WeakPolarHBondContact OG1-CD1 3.17Å; T23-L161 WeakPolarHBondContact OG1-CD1 3.26Å
24L98.7Very high98.4Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-61.9-45.2176.2-68167.3000111.5I6 V8 I20 R21 A27 G28 V29 Y31 M78I6-L24 HydrophobicContact CD1-CD2 4.08Å; I6-L24 HydrophobicContact CG2-CD1 4.18Å; V8-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CD1 4.06Å; I20-L24 WeakPolarHBondContact O-CG 3.33Å; I20-L24 PolarHBondContact O-N 3.14Å; R21-L24 PolarHBondContact O-N 3.19Å; L24-A27 CarbonylContact O-C 3.37Å; L24-A27 PolarHBondContact O-N 3.22Å; L24-G28 PolarHBondContact O-N 3.19Å; L24-V29 HydrophobicContact CB-CB 4.41Å; L24-V29 HydrophobicContact CD2-CB 3.89Å; L24-V29 HydrophobicContact CD2-CG1 3.64Å; L24-V29 PolarHBondContact O-N 3.41Å; L24-Y31 HydrophobicContact CB-CD1 3.87Å; L24-Y31 HydrophobicContact CB-CE1 4.21Å; L24-Y31 HydrophobicContact CD1-CD1 3.9Å; L24-Y31 HydrophobicContact CD1-CD2 4.23Å; L24-Y31 HydrophobicContact CD1-CG 3.74Å; L24-M78 HydrophobicContact CD1-CE 4.28Å; L24-M78 HydrophobicContact CD1-SD 4.05Å; L24-M78 HydrophobicContact CD2-CE 4.03Å; L24-M78 HydrophobicContact CD2-SD 3.57Å; L24-M78 VanDerWaalsContact CD2-SD 3.57Å; L24-M78 HydrophobicContact CG-CE 4.44Å; L24-M78 HydrophobicContact CG-SD 3.71Å
25V98.7Very high98.4Very high20 Ų2030.8 Ų30.812%0.12117%0.168CC..Hα-helixtrans-59.5-49.8176.8166.30000111.8R21 M22 A27 G28 Y31 R198 L199 Y202R21-V25 WeakPolarHBondContact O-CB 3.34Å; R21-V25 VanDerWaalsContact O-CG2 3.26Å; R21-V25 WeakPolarHBondContact O-CG2 3.49Å; R21-V25 PolarHBondContact O-N 3.32Å; M22-V25 PolarHBondContact O-N 2.94Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 2.68Å; V25-G28 PolarHBondContact O-N 3.45Å; V25-Y31 HydrophobicContact CG2-CE1 4.11Å; V25-R198 HydrophobicContact CG1-CB 4.08Å; V25-R198 WeakPolarHBondContact O-CB 3.47Å; V25-R198 WeakPolarHBondContact O-CD 3.47Å; V25-L199 HydrophobicContact CG1-CD1 4.3Å; V25-Y202 HydrophobicContact CB-CG 4.5Å; V25-Y202 HydrophobicContact CG1-CG 4.07Å; V25-Y202 HydrophobicContact CG2-CD1 4.47Å; V25-Y202 HydrophobicContact CG2-CD2 3.79Å; V25-Y202 HydrophobicContact CG2-CE2 4.28Å; V25-Y202 HydrophobicContact CG2-CG 3.91Å
26A98.6Very high98.4Very high12 Ų1230.8 Ų30.810%0.09917%0.165CC..Hα-helixtrans-61.9-41.1-179.800000111.3M22 T23 G28 M84 V156 L161 R198M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.5Å; M22-A26 PolarHBondContact O-N 3.47Å; T23-A26 PolarHBondContact O-N 3.5Å; A26-G28 PolarHBondContact O-N 3.38Å; A26-M84 HydrophobicContact CB-CE 3.67Å; A26-M84 HydrophobicContact CB-SD 4.19Å; A26-V156 HydrophobicContact CB-CG1 4.49Å; A26-L161 HydrophobicContact CB-CD1 4.45Å; A26-R198 PolarHBondContact O-NH1 3.06Å
27A98.3Very high98.4Very high28 Ų2829.7 Ų29.723%0.23117%0.167CC..Hα-helixtrans-69-13.9175.400000114.2T23 L24 V25 V29 H82T23-A27 VanDerWaalsContact O-CB 3.27Å; T23-A27 WeakPolarHBondContact O-CB 3.4Å; T23-A27 PolarHBondContact O-N 3.24Å; L24-A27 CarbonylContact O-C 3.37Å; L24-A27 PolarHBondContact O-N 3.22Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 2.68Å; A27-V29 HydrophobicContact CB-CG2 3.91Å; A27-H82 HydrophobicContact CB-CB 3.76Å; A27-H82 VanDerWaalsContact CB-CG 3.45Å
28G97.9Very high98.3Very high41 Ų4135.6 Ų35.642%0.42319%0.192SC..THydrogen-bonded Turntrans7035.3-174.900000113L24 V25 A26L24-G28 PolarHBondContact O-N 3.19Å; V25-G28 PolarHBondContact O-N 3.45Å; A26-G28 PolarHBondContact O-N 3.38Å
29V97.8Very high98.2Very high23 Ų2342.9 Ų42.914%0.13923%0.226CC..  trans-101.8123.9178176.10000109.4M1 I6 L24 A27 H82M1-V29 HydrophobicContact CE-CB 4.26Å; M1-V29 HydrophobicContact CE-CG1 3.4Å; M1-V29 VanDerWaalsContact CE-CG1 3.4Å; M1-V29 HydrophobicContact CE-CG2 3.86Å; I6-V29 HydrophobicContact CD1-CG1 3.92Å; L24-V29 HydrophobicContact CB-CB 4.41Å; L24-V29 HydrophobicContact CD2-CB 3.89Å; L24-V29 HydrophobicContact CD2-CG1 3.64Å; L24-V29 PolarHBondContact O-N 3.41Å; A27-V29 HydrophobicContact CB-CG2 3.91Å; V29-H82 VanDerWaalsContact CG2-CE1 3.45Å; V29-H82 WeakPolarHBondContact CG2-CE1 3.48Å; V29-H82 WeakPolarHBondContact CG2-NE2 3.39Å
30D97.3Very high98.2Very high154 Ų15445.6 Ų45.682%0.82424%0.24SC*.  trans-70.4144173.7-65.9-45.1000111.5
31Y98.3Very high98.2Very high54 Ų5447.6 Ų47.621%0.21225%0.248CC..  trans-153.3157.2177.371.6-78.8000110.9I6 V8 R21 L24 V25 D33I6-Y31 CarbonylContact O-C 3.56Å; I6-Y31 VanDerWaalsContact O-CA 3.26Å; I6-Y31 WeakPolarHBondContact O-CA 3.39Å; I6-Y31 WeakPolarHBondContact O-CB 3.48Å; V8-Y31 HydrophobicContact CB-CD2 4.04Å; V8-Y31 HydrophobicContact CB-CE2 4.3Å; V8-Y31 HydrophobicContact CG2-CD2 3.6Å; V8-Y31 HydrophobicContact CG2-CE2 4.11Å; V8-Y31 HydrophobicContact CG2-CG 4.31Å; R21-Y31 WeakPolarHBondContact CB-OH 3.37Å; R21-Y31 HydrophobicContact CG-CE2 4.05Å; L24-Y31 HydrophobicContact CB-CD1 3.87Å; L24-Y31 HydrophobicContact CB-CE1 4.21Å; L24-Y31 HydrophobicContact CD1-CD1 3.9Å; L24-Y31 HydrophobicContact CD1-CD2 4.23Å; L24-Y31 HydrophobicContact CD1-CG 3.74Å; V25-Y31 HydrophobicContact CG2-CE1 4.11Å; Y31-D33 HydrophobicContact CD2-CB 4.38Å; Y31-D33 HydrophobicContact CE2-CB 3.73Å
32E98.5Very high98.1Very high73 Ų7351.8 Ų51.834%0.34128%0.275SS..EExtended strand (participates in β ladder)trans-88.6123.1168.4-174-171.2170.600109.7H5 I6 K7 V8H5-E32 IonicContact CE1-OE2 3.59Å; H5-E32 PolarHBondContact CE1-OE2 3.15Å; H5-E32 IonicContact NE2-OE2 2.56Å; I6-E32 PolarHBondContact O-N 3.26Å; K7-E32 CarbonylContact C-O 3.49Å; K7-E32 WeakPolarHBondContact CA-O 3.45Å; K7-E32 HydrophobicContact CB-CB 4.27Å; K7-E32 WeakPolarHBondContact CE-OE2 3.48Å; K7-E32 HydrophobicContact CG-CB 4.26Å; K7-E32 HydrophobicContact CG-CG 4.36Å; K7-E32 IonicContact NZ-OE1 3.74Å; K7-E32 PolarHBondContact NZ-OE1 3.46Å; K7-E32 IonicContact NZ-OE2 3.16Å; K7-E32 PolarHBondContact NZ-OE2 3.42Å; V8-E32 PolarHBondContact N-O 2.94Å
33D98.4Very high98.1Very high51 Ų5159 Ų5927%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-92.693174.4-166.624000109.6R21 Y31 R35R21-D33 IonicContact CZ-OD1 3.17Å; R21-D33 IonicContact NE-OD1 3.23Å; R21-D33 PolarHBondContact NE-OD1 2.99Å; R21-D33 IonicContact NE-OD2 2.8Å; R21-D33 PolarHBondContact NE-OD2 3.3Å; R21-D33 IonicContact NH2-OD1 2.8Å; R21-D33 PolarHBondContact NH2-OD1 3.17Å; Y31-D33 HydrophobicContact CD2-CB 4.38Å; Y31-D33 HydrophobicContact CE2-CB 3.73Å; D33-R35 PolarHBondContact O-N 3.37Å; D33-R35 IonicContact OD2-CZ 3.71Å; D33-R35 IonicContact OD2-NE 3.2Å; D33-R35 PolarHBondContact OD2-NE 2.89Å; D33-R35 IonicContact OD2-NH2 3.75Å; D33-R35 PolarHBondContact OD2-NH2 2.93Å
34E98.4Very high98Very high53 Ų5360.7 Ų60.725%0.24832%0.315CS..EExtended strand (participates in β ladder)trans-87.1102.5179.1-172.8174.3120.600110.1K7 V8 I9 Y10 I36K7-E34 HydrophobicContact CD-CB 4.37Å; K7-E34 VanDerWaalsContact CD-OE2 3.23Å; K7-E34 WeakPolarHBondContact CD-OE2 3.28Å; K7-E34 WeakPolarHBondContact CE-OE2 3.14Å; K7-E34 HydrophobicContact CG-CB 4.03Å; K7-E34 IonicContact NZ-OE2 2.97Å; K7-E34 PolarHBondContact NZ-OE2 2.64Å; V8-E34 PolarHBondContact O-N 3.33Å; I9-E34 WeakPolarHBondContact CA-O 3.38Å; I9-E34 HydrophobicContact CG1-CB 4.22Å; I9-E34 HydrophobicContact CG2-CG 4.47Å; Y10-E34 PolarHBondContact N-O 2.78Å; E34-I36 HydrophobicContact CG-CD1 3.81Å
35R98.3Very high98Very high62 Ų6265.1 Ų65.123%0.23433%0.334CS..EExtended strand (participates in β ladder)trans-95.9114.3-179-69.4172.2175.1-102.6-8.6111.1Y10 D12 D33Y10-R35 CarbonylContact O-C 3.58Å; Y10-R35 WeakPolarHBondContact O-CA 3.32Å; D12-R35 HydrophobicContact CB-CB 4.18Å; D12-R35 WeakPolarHBondContact OD1-CD 3.5Å; D12-R35 IonicContact OD1-CZ 3.73Å; D12-R35 IonicContact OD1-NE 3.5Å; D12-R35 IonicContact OD1-NH1 3.27Å; D12-R35 PolarHBondContact OD1-NH1 3.49Å; D33-R35 PolarHBondContact O-N 3.37Å; D33-R35 IonicContact OD2-CZ 3.71Å; D33-R35 IonicContact OD2-NE 3.2Å; D33-R35 PolarHBondContact OD2-NE 2.89Å; D33-R35 IonicContact OD2-NH2 3.75Å; D33-R35 PolarHBondContact OD2-NH2 2.93Å
36I98.2Very high98Very high10 Ų1069.3 Ų69.35%0.05136%0.362CS..EExtended strand (participates in β ladder)trans-92.2126.6-177.6-55.2-48.2000110.4I9 Y10 F11 D12 E34 W41 I44 L53I9-I36 HydrophobicContact CG2-CD1 4.27Å; I9-I36 HydrophobicContact CG2-CG1 3.82Å; Y10-I36 PolarHBondContact O-N 2.73Å; F11-I36 WeakPolarHBondContact CA-O 3.45Å; D12-I36 PolarHBondContact N-O 2.75Å; E34-I36 HydrophobicContact CG-CD1 3.81Å; I36-W41 HydrophobicContact CG2-CB 4.23Å; I36-I44 HydrophobicContact CD1-CD1 3.51Å; I36-I44 HydrophobicContact CG1-CD1 4.19Å; I36-I44 HydrophobicContact CG2-CD1 3.79Å; I36-L53 HydrophobicContact CB-CD1 4.49Å; I36-L53 HydrophobicContact CG1-CD1 4.44Å
37S97.4Very high98Very high35 Ų3573.2 Ų73.225%0.24539%0.385CS..  trans-68.8151.5172.3780000110.9Q39 D40 W41S37-Q39 PolarHBondContact O-N 3.12Å; S37-Q39 PolarHBondContact OG-N 3.3Å; S37-D40 PolarHBondContact O-N 3.05Å; S37-D40 WeakPolarHBondContact OG-CB 3.46Å; S37-D40 PolarHBondContact OG-N 3.08Å; S37-D40 PolarHBondContact OG-OD2 2.88Å; S37-W41 PolarHBondContact O-N 3.16Å; S37-W41 VanDerWaalsContact O-N 3.08Å
38F96.4Very high98Very high124 Ų12472.2 Ų72.254%0.54438%0.375SS..THydrogen-bonded Turntrans-60.5-29.5173.2-72.9-68.7000112.2F11 F211F11-F38 AromaticContact CD1-CD1 3.98Å; F11-F38 HydrophobicContact CD1-CD1 3.98Å; F11-F38 AromaticContact CD1-CE1 3.92Å; F11-F38 HydrophobicContact CD1-CE1 3.92Å; F11-F38 AromaticContact CE1-CD1 3.89Å; F11-F38 HydrophobicContact CE1-CD1 3.89Å; F11-F38 HydrophobicContact CE1-CE1 4.03Å; F11-F38 HydrophobicContact CG-CE1 4.18Å; F11-F38 HydrophobicContact CZ-CE1 4.41Å; F38-F211 HydrophobicContact CE2-CE1 4.12Å; F38-F211 HydrophobicContact CE2-CZ 4.35Å; F38-F211 AromaticContact CZ-CE1 3.95Å; F38-F211 HydrophobicContact CZ-CE1 3.95Å; F38-F211 AromaticContact CZ-CZ 3.94Å; F38-F211 HydrophobicContact CZ-CZ 3.94Å
39Q97.7Very high97.9Very high152 Ų15272.6 Ų72.671%0.7137%0.37SS*.THydrogen-bonded Turntrans-70.8-35.8178.4-63.381.24.800112.8S37 P42S37-Q39 PolarHBondContact O-N 3.12Å; S37-Q39 PolarHBondContact OG-N 3.3Å; Q39-P42 WeakPolarHBondContact O-CD 3.35Å
40D97.9Very high97.9Very high65 Ų6574.8 Ų74.835%0.34840%0.398SS..THydrogen-bonded Turntrans-88-18-179.5-67.6-48000113.3S37 P42 K43 I44S37-D40 PolarHBondContact O-N 3.05Å; S37-D40 WeakPolarHBondContact OG-CB 3.46Å; S37-D40 PolarHBondContact OG-N 3.08Å; S37-D40 PolarHBondContact OG-OD2 2.88Å; D40-P42 VanDerWaalsContact C-CD 3.47Å; D40-K43 WeakPolarHBondContact O-CB 3.46Å; D40-K43 PolarHBondContact O-N 3.11Å; D40-K43 IonicContact OD1-NZ 3.2Å; D40-K43 PolarHBondContact OD1-NZ 3.09Å; D40-I44 HydrophobicContact CB-CD1 4.19Å; D40-I44 PolarHBondContact O-N 3.11Å
41W98.3Very high98Very high42 Ų4268.1 Ų68.116%0.15937%0.365CS..Hα-helixtrans-50.6-44.1-179.6172.4-128.1000114.9F11 I36 S37 K43 I44 K45 I48 G51 L53F11-W41 HydrophobicContact CE1-CB 3.78Å; F11-W41 AromaticContact CE1-CD1 3.98Å; F11-W41 HydrophobicContact CE1-CD2 4.07Å; F11-W41 AromaticContact CE1-CG 3.66Å; F11-W41 HydrophobicContact CE1-CG 3.66Å; F11-W41 HydrophobicContact CZ-CB 4.45Å; F11-W41 AromaticContact CZ-CD1 3.83Å; F11-W41 AromaticContact CZ-CD2 3.96Å; F11-W41 HydrophobicContact CZ-CD2 3.96Å; F11-W41 AromaticContact CZ-CG 3.83Å; F11-W41 HydrophobicContact CZ-CG 3.83Å; F11-W41 AromaticContact CZ-NE1 3.93Å; I36-W41 HydrophobicContact CG2-CB 4.23Å; S37-W41 PolarHBondContact O-N 3.16Å; S37-W41 VanDerWaalsContact O-N 3.08Å; W41-K43 PolarHBondContact O-N 3.32Å; W41-K43 VanDerWaalsContact O-N 3.16Å; W41-I44 HydrophobicContact CE3-CB 4.45Å; W41-I44 PolarHBondContact O-N 3.29Å; W41-I44 VanDerWaalsContact O-N 3.11Å; W41-K45 HydrophobicContact CD2-CB 3.93Å; W41-K45 HydrophobicContact CE3-CB 3.9Å; W41-K45 HydrophobicContact CH2-CB 3.55Å; W41-K45 HydrophobicContact CH2-CD 4.39Å; W41-K45 HydrophobicContact CH2-CG 3.61Å; W41-K45 HydrophobicContact CZ2-CB 3.58Å; W41-K45 HydrophobicContact CZ2-CD 3.69Å; W41-K45 HydrophobicContact CZ2-CG 3.42Å; W41-K45 VanDerWaalsContact CZ2-CG 3.42Å; W41-K45 VanDerWaalsContact CZ3-CA 3.4Å; W41-K45 HydrophobicContact CZ3-CB 3.71Å; W41-K45 HydrophobicContact CZ3-CG 4.3Å; W41-K45 WeakPolarHBondContact O-CB 3.49Å; W41-K45 PolarHBondContact O-N 2.74Å; W41-I48 HydrophobicContact CZ3-CG1 4.23Å; W41-G51 WeakPolarHBondContact CZ2-O 3.09Å; W41-L53 HydrophobicContact CE3-CD1 3.96Å; W41-L53 HydrophobicContact CE3-CG 4.42Å; W41-L53 HydrophobicContact CH2-CD1 4.34Å; W41-L53 HydrophobicContact CH2-CG 3.92Å; W41-L53 HydrophobicContact CZ3-CD1 3.78Å; W41-L53 HydrophobicContact CZ3-CD2 4.21Å; W41-L53 HydrophobicContact CZ3-CG 3.76Å
42P98.2Very high98Very high89 Ų8973.8 Ų73.858%0.57839%0.387SS*.Hα-helixtrans-57.6-31.2177.3-26.135.9000114Q39 D40 P46Q39-P42 WeakPolarHBondContact O-CD 3.35Å; D40-P42 VanDerWaalsContact C-CD 3.47Å; P42-P46 WeakPolarHBondContact O-CD 3.29Å
43K98.1Very high98Very high150 Ų15071.6 Ų71.665%0.65238%0.377SS*.Hα-helixtrans-78.8-33.6178.5-55.3172.9-167.1153.80112.1D40 W41 P46D40-K43 WeakPolarHBondContact O-CB 3.46Å; D40-K43 PolarHBondContact O-N 3.11Å; D40-K43 IonicContact OD1-NZ 3.2Å; D40-K43 PolarHBondContact OD1-NZ 3.09Å; W41-K43 PolarHBondContact O-N 3.32Å; W41-K43 VanDerWaalsContact O-N 3.16Å; K43-P46 WeakPolarHBondContact O-CD 3.46Å
44I97.8Very high98Very high37 Ų3769.7 Ų69.719%0.1937%0.367CS..Hα-helixtrans-88.2-32.5-175-63.8175.5000111.5I36 D40 W41 P46 T47 I48I36-I44 HydrophobicContact CD1-CD1 3.51Å; I36-I44 HydrophobicContact CG1-CD1 4.19Å; I36-I44 HydrophobicContact CG2-CD1 3.79Å; D40-I44 HydrophobicContact CB-CD1 4.19Å; D40-I44 PolarHBondContact O-N 3.11Å; W41-I44 HydrophobicContact CE3-CB 4.45Å; W41-I44 PolarHBondContact O-N 3.29Å; W41-I44 VanDerWaalsContact O-N 3.11Å; I44-P46 VanDerWaalsContact C-N 3.31Å; I44-P46 VanDerWaalsContact O-N 3.12Å; I44-T47 PolarHBondContact O-N 3.48Å; I44-T47 PolarHBondContact O-OG1 2.66Å; I44-I48 HydrophobicContact CG2-CD1 4.3Å; I44-I48 HydrophobicContact CG2-CG1 4.1Å
45K98.3Very high98Very high92 Ų9267.1 Ų67.140%0.436%0.355SS..G310 helixtrans-47-43.1-179-179.4179.4178.780.50114.6W41 T47 I48 G51W41-K45 HydrophobicContact CD2-CB 3.93Å; W41-K45 HydrophobicContact CE3-CB 3.9Å; W41-K45 HydrophobicContact CH2-CB 3.55Å; W41-K45 HydrophobicContact CH2-CD 4.39Å; W41-K45 HydrophobicContact CH2-CG 3.61Å; W41-K45 HydrophobicContact CZ2-CB 3.58Å; W41-K45 HydrophobicContact CZ2-CD 3.69Å; W41-K45 HydrophobicContact CZ2-CG 3.42Å; W41-K45 VanDerWaalsContact CZ2-CG 3.42Å; W41-K45 VanDerWaalsContact CZ3-CA 3.4Å; W41-K45 HydrophobicContact CZ3-CB 3.71Å; W41-K45 HydrophobicContact CZ3-CG 4.3Å; W41-K45 WeakPolarHBondContact O-CB 3.49Å; W41-K45 PolarHBondContact O-N 2.74Å; K45-T47 PolarHBondContact O-N 3.38Å; K45-I48 PolarHBondContact O-N 3.21Å; K45-G51 PolarHBondContact NZ-O 3.38Å
46P98.2Very high98Very high108 Ų10864.2 Ų64.270%0.70134%0.344SS*.G310 helixtrans-66.9-18.8178.9-21.134.9000114.6P42 K43 I44P42-P46 WeakPolarHBondContact O-CD 3.29Å; K43-P46 WeakPolarHBondContact O-CD 3.46Å; I44-P46 VanDerWaalsContact C-N 3.31Å; I44-P46 VanDerWaalsContact O-N 3.12Å
47T97.5Very high98.1Very high94 Ų9466.8 Ų66.858%0.57736%0.355SS*.G310 helixtrans-89.7-13.7-179760000113I44 K45I44-T47 PolarHBondContact O-N 3.48Å; I44-T47 PolarHBondContact O-OG1 2.66Å; K45-T47 PolarHBondContact O-N 3.38Å
48I98.3Very high98.1Very high7 Ų765.8 Ų65.84%0.03635%0.348CS..SBendtrans-92.2125.2-179.3-57-59.8000110.1I9 W41 I44 K45 G50 G51 R52 L53 A55 W67I9-I48 HydrophobicContact CD1-CD1 4.05Å; I9-I48 HydrophobicContact CG2-CD1 4.42Å; W41-I48 HydrophobicContact CZ3-CG1 4.23Å; I44-I48 HydrophobicContact CG2-CD1 4.3Å; I44-I48 HydrophobicContact CG2-CG1 4.1Å; K45-I48 PolarHBondContact O-N 3.21Å; I48-G50 PolarHBondContact O-N 2.96Å; I48-G51 WeakPolarHBondContact O-CA 3.42Å; I48-G51 PolarHBondContact O-N 2.84Å; I48-R52 WeakPolarHBondContact CG2-O 3.23Å; I48-L53 HydrophobicContact CD1-CD2 4.41Å; I48-L53 HydrophobicContact CG1-CD2 4.16Å; I48-L53 HydrophobicContact CG2-CD2 4.2Å; I48-A55 HydrophobicContact CG2-CB 3.76Å; I48-W67 HydrophobicContact CD1-CH2 3.84Å; I48-W67 HydrophobicContact CD1-CZ3 3.95Å
49P97.7Very high98.2Very high49 Ų4961.6 Ų61.632%0.31833%0.332SS..G310 helixtrans-54.8128.7174.4-27.537000112.1G51 W67 L69P49-G51 PolarHBondContact O-N 3.25Å; P49-W67 HydrophobicContact CG-CB 3.94Å; P49-W67 HydrophobicContact CG-CD2 3.79Å; P49-W67 HydrophobicContact CG-CE3 4.31Å; P49-W67 HydrophobicContact CG-CG 3.61Å; P49-L69 HydrophobicContact CB-CD1 4.22Å; P49-L69 WeakPolarHBondContact O-CD1 3.35Å; P49-L69 WeakPolarHBondContact O-CD2 3.41Å
50G97.5Very high98Very high70 Ų7056.7 Ų56.772%0.72231%0.311SS*.G310 helixtrans72.8-2.3-175.500000115I48 R52I48-G50 PolarHBondContact O-N 2.96Å; G50-R52 VanDerWaalsContact C-N 3.27Å; G50-R52 PolarHBondContact O-N 3.08Å
51G98.2Very high97.8Very high13 Ų1359.9 Ų59.913%0.13433%0.328CS..G310 helixtrans60.929.3172.500000114.6W41 K45 I48 P49W41-G51 WeakPolarHBondContact CZ2-O 3.09Å; K45-G51 PolarHBondContact NZ-O 3.38Å; I48-G51 WeakPolarHBondContact O-CA 3.42Å; I48-G51 PolarHBondContact O-N 2.84Å; P49-G51 PolarHBondContact O-N 3.25Å
52R98.4Very high97.7Very high174 Ų17465.2 Ų65.266%0.65735%0.354SS*.  trans-136.6155.2178.2-62.5-166.7-58.6152.25.6110.9I48 G50I48-R52 WeakPolarHBondContact CG2-O 3.23Å; G50-R52 VanDerWaalsContact C-N 3.27Å; G50-R52 PolarHBondContact O-N 3.08Å
53L98.5Very high97.5Very high26 Ų2663.2 Ų63.214%0.13635%0.35CS..SBendtrans-115.1153.4176.3-61.8179.4000110I9 Y10 F11 I36 W41 I48 A55I9-L53 HydrophobicContact CB-CD2 4.33Å; I9-L53 HydrophobicContact CG2-CD2 3.9Å; Y10-L53 HydrophobicContact CD2-CB 3.75Å; Y10-L53 HydrophobicContact CE2-CB 4.15Å; F11-L53 HydrophobicContact CD2-CD1 4.4Å; F11-L53 HydrophobicContact CE1-CD1 4.4Å; F11-L53 HydrophobicContact CE2-CD1 4.26Å; F11-L53 HydrophobicContact CZ-CD1 4.26Å; I36-L53 HydrophobicContact CB-CD1 4.49Å; I36-L53 HydrophobicContact CG1-CD1 4.44Å; W41-L53 HydrophobicContact CE3-CD1 3.96Å; W41-L53 HydrophobicContact CE3-CG 4.42Å; W41-L53 HydrophobicContact CH2-CD1 4.34Å; W41-L53 HydrophobicContact CH2-CG 3.92Å; W41-L53 HydrophobicContact CZ3-CD1 3.78Å; W41-L53 HydrophobicContact CZ3-CD2 4.21Å; W41-L53 HydrophobicContact CZ3-CG 3.76Å; I48-L53 HydrophobicContact CD1-CD2 4.41Å; I48-L53 HydrophobicContact CG1-CD2 4.16Å; I48-L53 HydrophobicContact CG2-CD2 4.2Å; L53-A55 HydrophobicContact CD2-CB 4.3Å
54P98.7Very high97.4Very high11 Ų1162 Ų627%0.07135%0.346CS..  cis-74.8153.20.730.8-32.8000113.1I9 Y10 R16 A17 I20 S71I9-P54 WeakPolarHBondContact O-CA 3.34Å; Y10-P54 HydrophobicContact CD2-CB 3.55Å; Y10-P54 HydrophobicContact CD2-CG 4.15Å; Y10-P54 HydrophobicContact CE2-CB 4.17Å; Y10-P54 HydrophobicContact CE2-CG 4.27Å; Y10-P54 HydrophobicContact CG-CB 4.23Å; R16-P54 HydrophobicContact CB-CG 4.3Å; A17-P54 HydrophobicContact CB-CB 4.03Å; A17-P54 HydrophobicContact CB-CG 4.47Å; I20-P54 HydrophobicContact CD1-CB 4.37Å; I20-P54 HydrophobicContact CD1-CG 4.24Å; P54-S71 VanDerWaalsContact CG-CB 3.41Å
55A98.8Very high97.3Very high0 Ų063.4 Ų63.40%036%0.357CS..EExtended strand (participates in β ladder)trans-129.8144.6168.300000108.4I9 I48 L53 W67 L69I9-A55 WeakPolarHBondContact CB-O 3.42Å; I9-A55 PolarHBondContact N-O 2.99Å; I9-A55 PolarHBondContact O-N 3.42Å; I9-A55 VanDerWaalsContact O-N 3.12Å; I48-A55 HydrophobicContact CG2-CB 3.76Å; L53-A55 HydrophobicContact CD2-CB 4.3Å; A55-W67 HydrophobicContact CB-CE3 4.19Å; A55-W67 HydrophobicContact CB-CZ3 4.04Å; A55-L69 HydrophobicContact CB-CD2 3.78Å
56V98.8Very high97.3Very high0 Ų064.3 Ų64.30%036%0.361CS..EExtended strand (participates in β ladder)trans-115.1128.2172.8175.40000109I6 K7 V8 I20 V58 W67 M68 I74 M78I6-V56 HydrophobicContact CG2-CG1 3.79Å; K7-V56 WeakPolarHBondContact O-CA 3.41Å; V8-V56 HydrophobicContact CG1-CG2 4.47Å; V8-V56 HydrophobicContact CG2-CG2 4.15Å; I20-V56 HydrophobicContact CD1-CG2 4.15Å; I20-V56 HydrophobicContact CG2-CG2 4.12Å; V56-V58 HydrophobicContact CG1-CG2 3.92Å; V56-W67 WeakPolarHBondContact O-CA 3.47Å; V56-M68 HydrophobicContact CB-CB 4.36Å; V56-M68 PolarHBondContact N-O 2.73Å; V56-M68 PolarHBondContact O-N 3.06Å; V56-I74 HydrophobicContact CB-CD1 4.27Å; V56-I74 HydrophobicContact CB-CG2 4.39Å; V56-I74 HydrophobicContact CG2-CD1 3.97Å; V56-I74 HydrophobicContact CG2-CG2 3.93Å; V56-M78 HydrophobicContact CG1-CE 4.01Å
57K98.6Very high97.3Very high64 Ų6463.2 Ų63.228%0.27834%0.342SS..EExtended strand (participates in β ladder)trans-105.3117.1173.8-171.1-174-178.2-1770108.1K7 V65 W67K7-K57 HydrophobicContact CB-CB 4.39Å; K7-K57 PolarHBondContact N-O 3.36Å; K7-K57 PolarHBondContact O-N 3.37Å; K57-V65 HydrophobicContact CD-CG1 4.18Å; K57-V65 VanDerWaalsContact CE-CG1 3.46Å; K57-V65 HydrophobicContact CG-CG1 3.65Å; K57-W67 HydrophobicContact CB-CD2 4.37Å; K57-W67 HydrophobicContact CB-CE3 4.04Å; K57-W67 HydrophobicContact CB-CH2 4.01Å; K57-W67 HydrophobicContact CB-CZ2 4.33Å; K57-W67 HydrophobicContact CB-CZ3 3.86Å; K57-W67 HydrophobicContact CD-CH2 4.01Å; K57-W67 HydrophobicContact CD-CZ2 3.78Å; K57-W67 HydrophobicContact CG-CD2 4.33Å; K57-W67 HydrophobicContact CG-CE3 4.47Å; K57-W67 HydrophobicContact CG-CH2 4.18Å; K57-W67 HydrophobicContact CG-CZ2 4Å; K57-W67 HydrophobicContact CG-CZ3 4.41Å
58V98.4Very high97.4Very high15 Ų1559.9 Ų59.99%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-108.4122.6175.3-174.20000108E4 H5 I6 V56 V65 K66 M68E4-V58 HydrophobicContact CB-CG1 4.02Å; E4-V58 HydrophobicContact CG-CG1 4.21Å; H5-V58 WeakPolarHBondContact O-CA 3.42Å; I6-V58 HydrophobicContact CG1-CG1 4.36Å; I6-V58 HydrophobicContact CG1-CG2 4.33Å; V56-V58 HydrophobicContact CG1-CG2 3.92Å; V58-V65 WeakPolarHBondContact O-CA 3.41Å; V58-K66 HydrophobicContact CB-CB 4.49Å; V58-K66 PolarHBondContact N-O 3.38Å; V58-K66 PolarHBondContact O-N 3.24Å; V58-M68 HydrophobicContact CG2-SD 4.35Å
59T98Very high97.4Very high35 Ų3563.1 Ų63.122%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-111.1124.3174.4-51.80000108.7E4 H5 H64 V65E4-T59 WeakPolarHBondContact CA-O 3.48Å; H5-T59 PolarHBondContact N-O 3.3Å; H5-T59 PolarHBondContact O-N 3.24Å; T59-H64 WeakPolarHBondContact CA-O 3.42Å; T59-V65 HydrophobicContact CG2-CG2 4.38Å
60D94.8Very high97.4Very high49 Ų4965.6 Ų65.626%0.26235%0.345SS..EExtended strand (participates in β ladder)trans-80.8171.6173.972.411.5000112G3 H62 G63 H64G3-D60 CarbonylContact O-C 3.56Å; G3-D60 WeakPolarHBondContact O-CA 3.43Å; D60-H62 PolarHBondContact O-N 3.04Å; D60-H62 VanDerWaalsContact O-N 3.07Å; D60-H62 WeakPolarHBondContact OD1-CA 3.35Å; D60-H62 WeakPolarHBondContact OD1-CB 3.38Å; D60-H62 PolarHBondContact OD1-N 3.43Å; D60-G63 PolarHBondContact O-N 3.26Å; D60-G63 PolarHBondContact OD1-N 2.88Å; D60-H64 PolarHBondContact N-O 2.85Å; D60-H64 WeakPolarHBondContact OD1-CB 3.38Å; D60-H64 IonicContact OD1-CG 2.69Å; D60-H64 PolarHBondContact OD1-N 3.03Å; D60-H64 IonicContact OD1-ND1 3.7Å; D60-H64 WeakPolarHBondContact OD2-CB 3.36Å; D60-H64 IonicContact OD2-CG 3.54Å; D60-H64 IonicContact OD2-ND1 2.77Å; D60-H64 PolarHBondContact OD2-ND1 2.99Å
61D93.4Very high97.5Very high132 Ų13262.3 Ų62.371%0.70631%0.311SS*.THydrogen-bonded Turntrans-60.2-15.4177.4-71.4-25000114.2G3G3-D61 WeakPolarHBondContact CA-OD1 3.47Å; G3-D61 WeakPolarHBondContact CA-OD2 3.37Å; G3-D61 PolarHBondContact O-N 3.12Å; G3-D61 VanDerWaalsContact O-N 3.07Å; G3-D61 VanDerWaalsContact O-OD1 3.12Å
62H94.6Very high97.5Very high154 Ų15462.2 Ų62.271%0.71331%0.308SS*.THydrogen-bonded Turntrans-93.3-0.1176.2-56.4-54.4000112.7D60 H64D60-H62 PolarHBondContact O-N 3.04Å; D60-H62 VanDerWaalsContact O-N 3.07Å; D60-H62 WeakPolarHBondContact OD1-CA 3.35Å; D60-H62 WeakPolarHBondContact OD1-CB 3.38Å; D60-H62 PolarHBondContact OD1-N 3.43Å; H62-H64 VanDerWaalsContact C-N 3.31Å
63G94Very high97.5Very high48 Ų4856.4 Ų56.450%0.49530%0.297SS..  trans808-177.600000114D60 V65D60-G63 PolarHBondContact O-N 3.26Å; D60-G63 PolarHBondContact OD1-N 2.88Å; G63-V65 PolarHBondContact O-N 2.95Å
64H96Very high97.6Very high124 Ų12455.2 Ų55.257%0.57429%0.291SS*.  trans-72131.8173.6-53.5127.5000110.1T59 D60 H62T59-H64 WeakPolarHBondContact CA-O 3.42Å; D60-H64 PolarHBondContact N-O 2.85Å; D60-H64 WeakPolarHBondContact OD1-CB 3.38Å; D60-H64 IonicContact OD1-CG 2.69Å; D60-H64 PolarHBondContact OD1-N 3.03Å; D60-H64 IonicContact OD1-ND1 3.7Å; D60-H64 WeakPolarHBondContact OD2-CB 3.36Å; D60-H64 IonicContact OD2-CG 3.54Å; D60-H64 IonicContact OD2-ND1 2.77Å; D60-H64 PolarHBondContact OD2-ND1 2.99Å; H62-H64 VanDerWaalsContact C-N 3.31Å
65V97.5Very high97.6Very high67 Ų6754.7 Ų54.741%0.40629%0.287SS..EExtended strand (participates in β ladder)trans-104.1122.9-1781760000110K57 V58 T59 G63K57-V65 HydrophobicContact CD-CG1 4.18Å; K57-V65 VanDerWaalsContact CE-CG1 3.46Å; K57-V65 HydrophobicContact CG-CG1 3.65Å; V58-V65 WeakPolarHBondContact O-CA 3.41Å; T59-V65 HydrophobicContact CG2-CG2 4.38Å; G63-V65 PolarHBondContact O-N 2.95Å
66K97.8Very high97.6Very high111 Ų11158 Ų5848%0.48330%0.3SS..EExtended strand (participates in β ladder)trans-106.9125.9166.7-176.6178.2179.5-1800109.9V58 M68V58-K66 HydrophobicContact CB-CB 4.49Å; V58-K66 PolarHBondContact N-O 3.38Å; V58-K66 PolarHBondContact O-N 3.24Å; K66-M68 HydrophobicContact CG-CG 4.37Å
67W98.5Very high97.6Very high84 Ų8462.1 Ų62.132%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-94.2138.4169.5-73.498000110.6I9 I48 P49 A55 V56 K57I9-W67 HydrophobicContact CD1-CH2 3.79Å; I9-W67 HydrophobicContact CD1-CZ3 3.76Å; I48-W67 HydrophobicContact CD1-CH2 3.84Å; I48-W67 HydrophobicContact CD1-CZ3 3.95Å; P49-W67 HydrophobicContact CG-CB 3.94Å; P49-W67 HydrophobicContact CG-CD2 3.79Å; P49-W67 HydrophobicContact CG-CE3 4.31Å; P49-W67 HydrophobicContact CG-CG 3.61Å; A55-W67 HydrophobicContact CB-CE3 4.19Å; A55-W67 HydrophobicContact CB-CZ3 4.04Å; V56-W67 WeakPolarHBondContact O-CA 3.47Å; K57-W67 HydrophobicContact CB-CD2 4.37Å; K57-W67 HydrophobicContact CB-CE3 4.04Å; K57-W67 HydrophobicContact CB-CH2 4.01Å; K57-W67 HydrophobicContact CB-CZ2 4.33Å; K57-W67 HydrophobicContact CB-CZ3 3.86Å; K57-W67 HydrophobicContact CD-CH2 4.01Å; K57-W67 HydrophobicContact CD-CZ2 3.78Å; K57-W67 HydrophobicContact CG-CD2 4.33Å; K57-W67 HydrophobicContact CG-CE3 4.47Å; K57-W67 HydrophobicContact CG-CH2 4.18Å; K57-W67 HydrophobicContact CG-CZ2 4Å; K57-W67 HydrophobicContact CG-CZ3 4.41Å
68M98.7Very high97.6Very high25 Ų2559.3 Ų59.312%0.12330%0.304CS..EExtended strand (participates in β ladder)trans-126.7135.4174.3-49.9-174.658.900109.5V56 V58 K66 I74 Y77V56-M68 HydrophobicContact CB-CB 4.36Å; V56-M68 PolarHBondContact N-O 2.73Å; V56-M68 PolarHBondContact O-N 3.06Å; V58-M68 HydrophobicContact CG2-SD 4.35Å; K66-M68 HydrophobicContact CG-CG 4.37Å; M68-I74 HydrophobicContact CB-CD1 4.01Å; M68-I74 HydrophobicContact CB-CG1 3.78Å; M68-I74 HydrophobicContact CE-CG1 4.42Å; M68-I74 HydrophobicContact CE-CG2 4.49Å; M68-I74 WeakPolarHBondContact O-CD1 3.5Å; M68-Y77 HydrophobicContact CE-CD1 3.52Å; M68-Y77 HydrophobicContact CE-CE1 3.93Å; M68-Y77 HydrophobicContact CE-CG 3.89Å; M68-Y77 HydrophobicContact SD-CD1 4.27Å; M68-Y77 HydrophobicContact SD-CE1 4.22Å
69L98.6Very high97.6Very high74 Ų7458.6 Ų58.639%0.38730%0.299SS..EExtended strand (participates in β ladder)trans-125.2169-177.9-54.5178000109.7P49 A55P49-L69 HydrophobicContact CB-CD1 4.22Å; P49-L69 WeakPolarHBondContact O-CD1 3.35Å; P49-L69 WeakPolarHBondContact O-CD2 3.41Å; A55-L69 HydrophobicContact CB-CD2 3.78Å
70E98.5Very high97.6Very high101 Ų10164.3 Ų64.347%0.47232%0.321SS..SBendtrans68.1108.4-176.9-170.653-10500113.2L72 A73 I74E70-L72 PolarHBondContact O-N 2.73Å; E70-A73 HydrophobicContact CB-CB 3.94Å; E70-A73 HydrophobicContact CG-CB 3.99Å; E70-A73 WeakPolarHBondContact O-CB 3.27Å; E70-A73 PolarHBondContact O-N 3.28Å; E70-I74 WeakPolarHBondContact O-CG1 3.46Å; E70-I74 PolarHBondContact O-N 3.45Å
71S98.8Very high97.8Very high2 Ų265.9 Ų65.91%0.01433%0.326CS..Hα-helixtrans-62.1-47.2-159.163.50000113.3R16 P54 A73 I74 A75R16-S71 WeakPolarHBondContact O-CB 3.03Å; R16-S71 PolarHBondContact O-OG 3.34Å; P54-S71 VanDerWaalsContact CG-CB 3.41Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-I74 PolarHBondContact O-N 3.44Å; S71-A75 WeakPolarHBondContact O-CB 3.3Å; S71-A75 PolarHBondContact O-N 3.02Å
72L98.8Very high98Very high11 Ų1162 Ų626%0.05830%0.303CS..Hα-helixtrans-81.4-14.2-180-67.1-178.5000113.3S19 E70 A75 R76 I99 E103 V162S19-L72 WeakPolarHBondContact OG-CD2 3.49Å; E70-L72 PolarHBondContact O-N 2.73Å; L72-A75 HydrophobicContact CD2-CB 4.3Å; L72-R76 VanDerWaalsContact CB-NH1 3.26Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 3.2Å; L72-R76 PolarHBondContact O-NH1 3.43Å; L72-I99 HydrophobicContact CD1-CG2 4.26Å; L72-E103 HydrophobicContact CD1-CG 3.62Å; L72-E103 VanDerWaalsContact CD1-OE2 3.27Å; L72-E103 WeakPolarHBondContact CD1-OE2 3.44Å; L72-V162 HydrophobicContact CD2-CG2 3.92Å
73A98.9Very high98.2Very high52 Ų5262.1 Ų62.143%0.4330%0.304SS..Hα-helixtrans-70.9-43.8166.400000110.1E70 S71 R76 Y77E70-A73 HydrophobicContact CB-CB 3.94Å; E70-A73 HydrophobicContact CG-CB 3.99Å; E70-A73 WeakPolarHBondContact O-CB 3.27Å; E70-A73 PolarHBondContact O-N 3.28Å; S71-A73 VanDerWaalsContact C-N 3.34Å; A73-R76 PolarHBondContact O-N 3.03Å; A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 3.26Å
74I98.8Very high98.4Very high1 Ų160.3 Ų60.31%0.00528%0.282CS..Hα-helixtrans-62.5-48.7174.4-59.3165.6000110.6I20 V56 M68 E70 S71 R76 Y77 M78I20-I74 HydrophobicContact CD1-CB 3.97Å; I20-I74 HydrophobicContact CD1-CD1 3.97Å; I20-I74 HydrophobicContact CD1-CG2 3.97Å; I20-I74 HydrophobicContact CG1-CB 4.26Å; I20-I74 HydrophobicContact CG1-CG2 4.15Å; I20-I74 HydrophobicContact CG2-CG2 4.13Å; V56-I74 HydrophobicContact CB-CD1 4.27Å; V56-I74 HydrophobicContact CB-CG2 4.39Å; V56-I74 HydrophobicContact CG2-CD1 3.97Å; V56-I74 HydrophobicContact CG2-CG2 3.93Å; M68-I74 HydrophobicContact CB-CD1 4.01Å; M68-I74 HydrophobicContact CB-CG1 3.78Å; M68-I74 HydrophobicContact CE-CG1 4.42Å; M68-I74 HydrophobicContact CE-CG2 4.49Å; M68-I74 WeakPolarHBondContact O-CD1 3.5Å; E70-I74 WeakPolarHBondContact O-CG1 3.46Å; E70-I74 PolarHBondContact O-N 3.45Å; S71-I74 PolarHBondContact O-N 3.44Å; I74-R76 PolarHBondContact O-N 3.17Å; I74-Y77 WeakPolarHBondContact O-CB 3.48Å; I74-Y77 PolarHBondContact O-N 2.76Å; I74-M78 HydrophobicContact CG2-CE 3.76Å; I74-M78 HydrophobicContact CG2-CG 4.42Å; I74-M78 HydrophobicContact CG2-SD 3.97Å; I74-M78 WeakPolarHBondContact O-CG 3.37Å; I74-M78 PolarHBondContact O-N 3.25Å
75A98.9Very high98.6Very high0 Ų055 Ų550%026%0.258CS..Hα-helixtrans-60.3-44.2179.900000111.5I20 S71 L72 Y77 M78 A79 L158I20-A75 HydrophobicContact CG1-CB 4.26Å; S71-A75 WeakPolarHBondContact O-CB 3.3Å; S71-A75 PolarHBondContact O-N 3.02Å; L72-A75 HydrophobicContact CD2-CB 4.3Å; A75-Y77 PolarHBondContact O-N 2.8Å; A75-M78 PolarHBondContact O-N 2.79Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.2Å; A75-L158 HydrophobicContact CB-CD1 3.86Å; A75-L158 HydrophobicContact CB-CD2 4.15Å
76R98.9Very high98.6Very high69 Ų6953 Ų5326%0.2625%0.251SS..Hα-helixtrans-59.8-43.9173.3-78.6176.3178.590.3-2.4112.6L72 A73 I74 A79 K80 M85 E96 L158L72-R76 VanDerWaalsContact CB-NH1 3.26Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 3.2Å; L72-R76 PolarHBondContact O-NH1 3.43Å; A73-R76 PolarHBondContact O-N 3.03Å; I74-R76 PolarHBondContact O-N 3.17Å; R76-A79 PolarHBondContact O-N 3.34Å; R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.48Å; R76-K80 PolarHBondContact O-N 3.23Å; R76-M85 HydrophobicContact CG-CE 4.1Å; R76-M85 HydrophobicContact CG-SD 4.35Å; R76-E96 WeakPolarHBondContact CD-OE1 3.48Å; R76-E96 IonicContact CZ-OE1 2.82Å; R76-E96 IonicContact CZ-OE2 2.74Å; R76-E96 VanDerWaalsContact CZ-OE2 3.27Å; R76-E96 VanDerWaalsContact NE-CD 3.32Å; R76-E96 IonicContact NE-OE1 3.59Å; R76-E96 PolarHBondContact NE-OE1 2.8Å; R76-E96 IonicContact NE-OE2 3.85Å; R76-E96 PolarHBondContact NE-OE2 3.26Å; R76-E96 IonicContact NH2-OE1 3.37Å; R76-E96 IonicContact NH2-OE2 3Å; R76-E96 PolarHBondContact NH2-OE2 3.16Å; R76-L158 HydrophobicContact CB-CD2 4.33Å; R76-L158 HydrophobicContact CG-CD2 3.65Å
77Y98.7Very high98.6Very high86 Ų8653.6 Ų53.634%0.33726%0.255SS..Hα-helixtrans-60.6-47.9177.6171.9-99000112.1M68 A73 I74 A75 K80 K81M68-Y77 HydrophobicContact CE-CD1 3.52Å; M68-Y77 HydrophobicContact CE-CE1 3.93Å; M68-Y77 HydrophobicContact CE-CG 3.89Å; M68-Y77 HydrophobicContact SD-CD1 4.27Å; M68-Y77 HydrophobicContact SD-CE1 4.22Å; A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 3.26Å; I74-Y77 WeakPolarHBondContact O-CB 3.48Å; I74-Y77 PolarHBondContact O-N 2.76Å; A75-Y77 PolarHBondContact O-N 2.8Å; Y77-K80 PolarHBondContact O-N 3.4Å; Y77-K81 HydrophobicContact CD1-CD 4.39Å; Y77-K81 HydrophobicContact CE1-CD 3.71Å; Y77-K81 HydrophobicContact CE2-CD 4.4Å; Y77-K81 VanDerWaalsContact CZ-CE 3.45Å; Y77-K81 PolarHBondContact O-N 2.98Å; Y77-K81 WeakPolarHBondContact OH-CE 3.44Å; Y77-K81 PolarHBondContact OH-NZ 3.49Å
78M98.5Very high98.6Very high5 Ų552.7 Ų52.73%0.02526%0.259CS..Hα-helixtrans-65.8-46.3178.5-68.9179.2172.100110.9I6 I20 T23 L24 V56 I74 A75 K80 K81 H82I6-M78 HydrophobicContact CG2-CE 4.17Å; I20-M78 HydrophobicContact CG2-CE 4.24Å; I20-M78 HydrophobicContact CG2-SD 3.75Å; T23-M78 HydrophobicContact CG2-CB 3.74Å; L24-M78 HydrophobicContact CD1-CE 4.28Å; L24-M78 HydrophobicContact CD1-SD 4.05Å; L24-M78 HydrophobicContact CD2-CE 4.03Å; L24-M78 HydrophobicContact CD2-SD 3.57Å; L24-M78 VanDerWaalsContact CD2-SD 3.57Å; L24-M78 HydrophobicContact CG-CE 4.44Å; L24-M78 HydrophobicContact CG-SD 3.71Å; V56-M78 HydrophobicContact CG1-CE 4.01Å; I74-M78 HydrophobicContact CG2-CE 3.76Å; I74-M78 HydrophobicContact CG2-CG 4.42Å; I74-M78 HydrophobicContact CG2-SD 3.97Å; I74-M78 WeakPolarHBondContact O-CG 3.37Å; I74-M78 PolarHBondContact O-N 3.25Å; A75-M78 PolarHBondContact O-N 2.79Å; M78-K80 VanDerWaalsContact C-N 3.34Å; M78-K80 PolarHBondContact O-N 3.3Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 2.77Å; M78-K81 VanDerWaalsContact O-N 3.16Å; M78-H82 PolarHBondContact O-CD2 2.71Å; M78-H82 PolarHBondContact O-N 2.94Å; M78-H82 VanDerWaalsContact O-N 3.1Å
79A98.8Very high98.6Very high0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-58.6-45.4177.200000111.4T23 A75 R76 K81 H82 H83 M84 M85 L158T23-A79 HydrophobicContact CG2-CB 4Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 3.2Å; R76-A79 PolarHBondContact O-N 3.34Å; A79-K81 PolarHBondContact O-N 2.96Å; A79-H82 CarbonylContact O-C 3.55Å; A79-H82 PolarHBondContact O-N 2.71Å; A79-H82 VanDerWaalsContact O-N 3.09Å; A79-H83 PolarHBondContact O-N 2.8Å; A79-H83 VanDerWaalsContact O-N 3.07Å; A79-M84 HydrophobicContact CB-CB 3.9Å; A79-M84 PolarHBondContact O-N 3.46Å; A79-M85 HydrophobicContact CB-CG 3.73Å; A79-M85 HydrophobicContact CB-SD 3.81Å; A79-L158 HydrophobicContact CB-CB 3.86Å; A79-L158 HydrophobicContact CB-CD2 4.22Å; A79-L158 HydrophobicContact CB-CG 4.45Å
80K98.8Very high98.6Very high155 Ų15560.9 Ų60.967%0.67430%0.299SS*.Hα-helixtrans-60.4-44176-171.4-175.5-171.1-56.30111.8R76 Y77 M78 H82 H83 M85R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.48Å; R76-K80 PolarHBondContact O-N 3.23Å; Y77-K80 PolarHBondContact O-N 3.4Å; M78-K80 VanDerWaalsContact C-N 3.34Å; M78-K80 PolarHBondContact O-N 3.3Å; K80-H82 PolarHBondContact O-N 2.75Å; K80-H83 PolarHBondContact O-N 3.13Å; K80-M85 HydrophobicContact CB-CG 4.06Å
81K97.7Very high98.6Very high82 Ų8258.3 Ų58.336%0.35729%0.287SS..Hα-helixtrans-59.6-26.9176-92-171.5156.6-176.40113.1Y77 M78 A79Y77-K81 HydrophobicContact CD1-CD 4.39Å; Y77-K81 HydrophobicContact CE1-CD 3.71Å; Y77-K81 HydrophobicContact CE2-CD 4.4Å; Y77-K81 VanDerWaalsContact CZ-CE 3.45Å; Y77-K81 PolarHBondContact O-N 2.98Å; Y77-K81 WeakPolarHBondContact OH-CE 3.44Å; Y77-K81 PolarHBondContact OH-NZ 3.49Å; M78-K81 WeakPolarHBondContact O-CB 3.48Å; M78-K81 PolarHBondContact O-N 2.77Å; M78-K81 VanDerWaalsContact O-N 3.16Å; A79-K81 PolarHBondContact O-N 2.96Å
82H98.3Very high98.6Very high50 Ų5063.8 Ų63.823%0.23131%0.309CS..THydrogen-bonded Turntrans-110.919.3-176.7-65.8-71.8000113.6A27 V29 M78 A79 K80 M84A27-H82 HydrophobicContact CB-CB 3.76Å; A27-H82 VanDerWaalsContact CB-CG 3.45Å; V29-H82 VanDerWaalsContact CG2-CE1 3.45Å; V29-H82 WeakPolarHBondContact CG2-CE1 3.48Å; V29-H82 WeakPolarHBondContact CG2-NE2 3.39Å; M78-H82 PolarHBondContact O-CD2 2.71Å; M78-H82 PolarHBondContact O-N 2.94Å; M78-H82 VanDerWaalsContact O-N 3.1Å; A79-H82 CarbonylContact O-C 3.55Å; A79-H82 PolarHBondContact O-N 2.71Å; A79-H82 VanDerWaalsContact O-N 3.09Å; K80-H82 PolarHBondContact O-N 2.75Å; H82-M84 VanDerWaalsContact C-N 3.33Å; H82-M84 HydrophobicContact CB-CG 4.41Å; H82-M84 HydrophobicContact CB-SD 4.36Å; H82-M84 WeakPolarHBondContact O-CG 3.44Å; H82-M84 PolarHBondContact O-N 3.42Å
83H98.5Very high98.6Very high157 Ų15770.1 Ų70.173%0.72733%0.333SS*.THydrogen-bonded Turntrans59.837.2176.9-47.393.9000114.1A79 K80A79-H83 PolarHBondContact O-N 2.8Å; A79-H83 VanDerWaalsContact O-N 3.07Å; K80-H83 PolarHBondContact O-N 3.13Å
84M98.9Very high98.6Very high10 Ų1069.4 Ų69.45%0.04933%0.325CS..  trans-112.125.5-178.6-58.8178.263.200112.5A26 A79 H82 V156 T157 L158 L161A26-M84 HydrophobicContact CB-CE 3.67Å; A26-M84 HydrophobicContact CB-SD 4.19Å; A79-M84 HydrophobicContact CB-CB 3.9Å; A79-M84 PolarHBondContact O-N 3.46Å; H82-M84 VanDerWaalsContact C-N 3.33Å; H82-M84 HydrophobicContact CB-CG 4.41Å; H82-M84 HydrophobicContact CB-SD 4.36Å; H82-M84 WeakPolarHBondContact O-CG 3.44Å; H82-M84 PolarHBondContact O-N 3.42Å; M84-V156 HydrophobicContact CE-CB 4.2Å; M84-V156 HydrophobicContact CE-CG1 3.59Å; M84-T157 CarbonylContact O-C 3.31Å; M84-T157 VanDerWaalsContact O-CA 3.27Å; M84-T157 WeakPolarHBondContact O-CA 3.38Å; M84-T157 WeakPolarHBondContact O-CB 3.45Å; M84-L158 PolarHBondContact O-N 3.17Å; M84-L161 HydrophobicContact CE-CD1 3.76Å; M84-L161 HydrophobicContact CE-CG 4.46Å
85M98.9Very high98.6Very high13 Ų1369.4 Ų69.46%0.06432%0.324CS..SBendtrans-121.922.9179.7-72.3-59.9-59.800112.7R76 A79 K80 Y92 V95 E96 L158R76-M85 HydrophobicContact CG-CE 4.1Å; R76-M85 HydrophobicContact CG-SD 4.35Å; A79-M85 HydrophobicContact CB-CG 3.73Å; A79-M85 HydrophobicContact CB-SD 3.81Å; K80-M85 HydrophobicContact CB-CG 4.06Å; M85-Y92 HydrophobicContact CB-CD2 4.37Å; M85-Y92 HydrophobicContact CE-CD2 3.89Å; M85-Y92 HydrophobicContact CE-CE2 3.6Å; M85-Y92 WeakPolarHBondContact O-CA 3.46Å; M85-Y92 WeakPolarHBondContact O-CB 3.46Å; M85-Y92 WeakPolarHBondContact O-CD2 3.28Å; M85-V95 HydrophobicContact CE-CG1 3.78Å; M85-V95 HydrophobicContact SD-CG1 3.98Å; M85-E96 HydrophobicContact CE-CG 4.4Å; M85-E96 VanDerWaalsContact CE-OE1 3.26Å; M85-E96 WeakPolarHBondContact CE-OE1 3.46Å; M85-L158 HydrophobicContact SD-CB 3.69Å; M85-L158 HydrophobicContact SD-CD2 3.79Å; M85-L158 HydrophobicContact SD-CG 4.4Å
86G98.3Very high98.6Very high24 Ų2471.2 Ų71.225%0.24733%0.333CS..  trans87.7153.7-173.200000113
87E98Very high98.6Very high125 Ų12570.9 Ų70.958%0.58433%0.333SS*.SBendtrans-97.5-14.8179.2-56.8-163.6149.800112.7E91 K155E87-E91 PolarHBondContact N-OE2 3.45Å; E87-K155 IonicContact OE1-NZ 3.59Å; E87-K155 PolarHBondContact OE1-NZ 2.75Å; E87-K155 IonicContact OE2-NZ 2.69Å; E87-K155 PolarHBondContact OE2-NZ 2.82Å; E87-K155 VanDerWaalsContact OE2-NZ 3.16Å
88T98.4Very high98.6Very high64 Ų6466.9 Ų66.939%0.39332%0.318SS..SBendtrans-130.4167.7173.781.90000111.4E90 E91 Y92T88-E90 WeakPolarHBondContact CB-OE2 3.46Å; T88-E90 PolarHBondContact O-N 3.29Å; T88-E90 PolarHBondContact OG1-N 3.13Å; T88-E90 PolarHBondContact OG1-OE2 2.88Å; T88-E91 PolarHBondContact O-N 3.02Å; T88-E91 PolarHBondContact OG1-N 2.89Å; T88-Y92 WeakPolarHBondContact O-CB 3.43Å; T88-Y92 PolarHBondContact O-N 3.13Å
89D98.6Very high98.6Very high136 Ų13666.7 Ų66.773%0.72732%0.317SS*.Hα-helixtrans-63-33.2176.1-71.6-14.4000111.7Y92 Y93D89-Y92 PolarHBondContact O-N 3.35Å; D89-Y93 WeakPolarHBondContact O-CB 3.22Å; D89-Y93 PolarHBondContact O-N 3.06Å
90E98.6Very high98.6Very high135 Ų13568.2 Ų68.263%0.63133%0.333SS*.Hα-helixtrans-69.2-39.6175.2-60.475.1-162.900112.3T88 S94T88-E90 WeakPolarHBondContact CB-OE2 3.46Å; T88-E90 PolarHBondContact O-N 3.29Å; T88-E90 PolarHBondContact OG1-N 3.13Å; T88-E90 PolarHBondContact OG1-OE2 2.88Å; E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.45Å; E90-S94 PolarHBondContact O-OG 2.8Å
91E98.7Very high98.6Very high48 Ų4862 Ų6222%0.22431%0.306CS..Hα-helixtrans-67.1-42.8172.8-71.9-167.6167.500111E87 T88 Y93 S94 V95 V152E87-E91 PolarHBondContact N-OE2 3.45Å; T88-E91 PolarHBondContact O-N 3.02Å; T88-E91 PolarHBondContact OG1-N 2.89Å; E91-Y93 VanDerWaalsContact C-N 3.34Å; E91-Y93 PolarHBondContact O-N 2.78Å; E91-S94 CarbonylContact O-C 3.6Å; E91-S94 WeakPolarHBondContact O-CA 3.35Å; E91-S94 WeakPolarHBondContact O-CB 3.48Å; E91-S94 PolarHBondContact O-N 2.84Å; E91-V95 WeakPolarHBondContact O-CG2 2.89Å; E91-V95 PolarHBondContact O-N 3.23Å; E91-V152 HydrophobicContact CB-CG1 3.82Å; E91-V152 HydrophobicContact CG-CG1 3.92Å
92Y98.8Very high98.7Very high117 Ų11758 Ų5846%0.45929%0.289SS..Hα-helixtrans-57.7-46.2174.7171.5-105000111.7M85 T88 D89 S94 V95 E96M85-Y92 HydrophobicContact CB-CD2 4.37Å; M85-Y92 HydrophobicContact CE-CD2 3.89Å; M85-Y92 HydrophobicContact CE-CE2 3.6Å; M85-Y92 WeakPolarHBondContact O-CA 3.46Å; M85-Y92 WeakPolarHBondContact O-CB 3.46Å; M85-Y92 WeakPolarHBondContact O-CD2 3.28Å; T88-Y92 WeakPolarHBondContact O-CB 3.43Å; T88-Y92 PolarHBondContact O-N 3.13Å; D89-Y92 PolarHBondContact O-N 3.35Å; Y92-S94 VanDerWaalsContact C-N 3.29Å; Y92-S94 PolarHBondContact O-N 3.37Å; Y92-V95 PolarHBondContact O-N 3.07Å; Y92-E96 HydrophobicContact CD2-CG 4.25Å; Y92-E96 HydrophobicContact CE1-CG 4.13Å; Y92-E96 HydrophobicContact CE2-CG 3.73Å; Y92-E96 WeakPolarHBondContact O-CG 3.36Å; Y92-E96 PolarHBondContact O-N 2.7Å
93Y98.8Very high98.7Very high144 Ų14457.9 Ų57.957%0.56529%0.289SS*.Hα-helixtrans-56.5-44.2172.1163.4-102.1000111.8D89 E91 V95 E96 K97D89-Y93 WeakPolarHBondContact O-CB 3.22Å; D89-Y93 PolarHBondContact O-N 3.06Å; E91-Y93 VanDerWaalsContact C-N 3.34Å; E91-Y93 PolarHBondContact O-N 2.78Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.1Å; Y93-E96 PolarHBondContact O-N 3.11Å; Y93-K97 HydrophobicContact CE1-CD 4.34Å; Y93-K97 VanDerWaalsContact O-CB 3.28Å; Y93-K97 WeakPolarHBondContact O-CB 3.34Å; Y93-K97 PolarHBondContact O-N 2.81Å
94S98.8Very high98.7Very high37 Ų3754.6 Ų54.626%0.25928%0.276SS..Hα-helixtrans-65.4-38.4-179.6-610000112.3E90 E91 Y92 L98E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.45Å; E90-S94 PolarHBondContact O-OG 2.8Å; E91-S94 CarbonylContact O-C 3.6Å; E91-S94 WeakPolarHBondContact O-CA 3.35Å; E91-S94 WeakPolarHBondContact O-CB 3.48Å; E91-S94 PolarHBondContact O-N 2.84Å; Y92-S94 VanDerWaalsContact C-N 3.29Å; Y92-S94 PolarHBondContact O-N 3.37Å; S94-L98 PolarHBondContact O-N 2.73Å; S94-L98 VanDerWaalsContact O-N 3.17Å
95V98.9Very high98.7Very high0 Ų054.2 Ų54.20%027%0.274CS..Hα-helixtrans-61.5-53173.4168.50000109.7M85 E91 Y92 Y93 K97 L98 I99 V152 T157 A159M85-V95 HydrophobicContact CE-CG1 3.78Å; M85-V95 HydrophobicContact SD-CG1 3.98Å; E91-V95 WeakPolarHBondContact O-CG2 2.89Å; E91-V95 PolarHBondContact O-N 3.23Å; Y92-V95 PolarHBondContact O-N 3.07Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.1Å; V95-K97 PolarHBondContact O-N 3.19Å; V95-L98 PolarHBondContact O-N 2.84Å; V95-I99 HydrophobicContact CG1-CD1 3.77Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 2.94Å; V95-V152 HydrophobicContact CB-CG2 4.48Å; V95-V152 HydrophobicContact CG2-CB 4.02Å; V95-V152 HydrophobicContact CG2-CG1 4.27Å; V95-V152 HydrophobicContact CG2-CG2 3.73Å; V95-T157 HydrophobicContact CG2-CG2 3.85Å; V95-A159 HydrophobicContact CB-CB 4.4Å; V95-A159 HydrophobicContact CG1-CB 4.07Å
96E98.9Very high98.7Very high39 Ų3954.1 Ų54.118%0.18227%0.274CS..Hα-helixtrans-63.8-38.9-178.6-73.1-65.5173.800112.7R76 M85 Y92 Y93 L98 I99 G100R76-E96 WeakPolarHBondContact CD-OE1 3.48Å; R76-E96 IonicContact CZ-OE1 2.82Å; R76-E96 IonicContact CZ-OE2 2.74Å; R76-E96 VanDerWaalsContact CZ-OE2 3.27Å; R76-E96 VanDerWaalsContact NE-CD 3.32Å; R76-E96 IonicContact NE-OE1 3.59Å; R76-E96 PolarHBondContact NE-OE1 2.8Å; R76-E96 IonicContact NE-OE2 3.85Å; R76-E96 PolarHBondContact NE-OE2 3.26Å; R76-E96 IonicContact NH2-OE1 3.37Å; R76-E96 IonicContact NH2-OE2 3Å; R76-E96 PolarHBondContact NH2-OE2 3.16Å; M85-E96 HydrophobicContact CE-CG 4.4Å; M85-E96 VanDerWaalsContact CE-OE1 3.26Å; M85-E96 WeakPolarHBondContact CE-OE1 3.46Å; Y92-E96 HydrophobicContact CD2-CG 4.25Å; Y92-E96 HydrophobicContact CE1-CG 4.13Å; Y92-E96 HydrophobicContact CE2-CG 3.73Å; Y92-E96 WeakPolarHBondContact O-CG 3.36Å; Y92-E96 PolarHBondContact O-N 2.7Å; Y93-E96 PolarHBondContact O-N 3.11Å; E96-L98 PolarHBondContact O-N 3.32Å; E96-I99 PolarHBondContact O-N 3.5Å; E96-G100 PolarHBondContact O-N 3.38Å
97K98.9Very high98.7Very high61 Ų6158.2 Ų58.227%0.26529%0.286SS..Hα-helixtrans-56.8-49.3174.3174.1176.357.259.90111.2Y93 V95 G100 Q101 S142Y93-K97 HydrophobicContact CE1-CD 4.34Å; Y93-K97 VanDerWaalsContact O-CB 3.28Å; Y93-K97 WeakPolarHBondContact O-CB 3.34Å; Y93-K97 PolarHBondContact O-N 2.81Å; V95-K97 PolarHBondContact O-N 3.19Å; K97-G100 PolarHBondContact O-N 2.97Å; K97-Q101 WeakPolarHBondContact O-CG 3.4Å; K97-Q101 PolarHBondContact O-N 3.13Å; K97-S142 PolarHBondContact NZ-OG 2.85Å
98L98.9Very high98.8Very high2 Ų252.6 Ų52.61%0.0126%0.26CS..Hα-helixtrans-71.3-34.2-178-169.763.6000111.9S94 V95 E96 G100 Q101 A102 I139 L143 A151 A159 L163S94-L98 PolarHBondContact O-N 2.73Å; S94-L98 VanDerWaalsContact O-N 3.17Å; V95-L98 PolarHBondContact O-N 2.84Å; E96-L98 PolarHBondContact O-N 3.32Å; L98-G100 VanDerWaalsContact C-N 3.35Å; L98-Q101 PolarHBondContact O-N 3.29Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.05Å; L98-I139 HydrophobicContact CD1-CB 4.37Å; L98-I139 HydrophobicContact CD1-CG1 4.1Å; L98-I139 HydrophobicContact CD1-CG2 4.2Å; L98-L143 HydrophobicContact CD2-CD2 4.08Å; L98-A151 HydrophobicContact CD2-CB 3.44Å; L98-A151 VanDerWaalsContact CD2-CB 3.44Å; L98-A159 HydrophobicContact CB-CB 4.09Å; L98-A159 HydrophobicContact CD2-CB 4.09Å; L98-A159 HydrophobicContact CG-CB 4.43Å; L98-L163 HydrophobicContact CD2-CD2 4.22Å
99I98.9Very high98.8Very high1 Ų150 Ų501%0.00524%0.243CC..Hα-helixtrans-60-46.2171.3-67.5168000110.4L72 V95 E96 Q101 A102 E103 L158 A159 V162L72-I99 HydrophobicContact CD1-CG2 4.26Å; V95-I99 HydrophobicContact CG1-CD1 3.77Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 2.94Å; E96-I99 PolarHBondContact O-N 3.5Å; I99-Q101 PolarHBondContact O-N 2.77Å; I99-A102 PolarHBondContact O-N 3.13Å; I99-E103 HydrophobicContact CG2-CG 4.28Å; I99-E103 WeakPolarHBondContact O-CB 3.32Å; I99-E103 WeakPolarHBondContact O-CG 3.33Å; I99-E103 PolarHBondContact O-N 3.04Å; I99-L158 HydrophobicContact CD1-CB 4.15Å; I99-L158 HydrophobicContact CD1-CD2 3.77Å; I99-L158 HydrophobicContact CD1-CG 3.79Å; I99-A159 HydrophobicContact CG1-CB 4.29Å; I99-V162 HydrophobicContact CG1-CB 4.44Å; I99-V162 HydrophobicContact CG1-CG2 4.27Å; I99-V162 HydrophobicContact CG2-CG1 4.47Å
100G98.8Very high98.7Very high33 Ų3348.7 Ų48.734%0.3423%0.232SC..Hα-helixtrans-59.2-46.1177.100000112.7E96 K97 L98 A102 E103 D104E96-G100 PolarHBondContact O-N 3.38Å; K97-G100 PolarHBondContact O-N 2.97Å; L98-G100 VanDerWaalsContact C-N 3.35Å; G100-A102 PolarHBondContact O-N 3.43Å; G100-E103 PolarHBondContact O-N 3.45Å; G100-D104 PolarHBondContact O-N 3.37Å
101Q98.9Very high98.7Very high23 Ų2345.7 Ų45.711%0.10722%0.217CC..Hα-helixtrans-62.5-40.2176.6-69.7171.5-11.800112.7K97 L98 I99 D104 V105 I139 S142K97-Q101 WeakPolarHBondContact O-CG 3.4Å; K97-Q101 PolarHBondContact O-N 3.13Å; L98-Q101 PolarHBondContact O-N 3.29Å; I99-Q101 PolarHBondContact O-N 2.77Å; Q101-D104 PolarHBondContact O-N 3.35Å; Q101-V105 PolarHBondContact O-N 2.93Å; Q101-I139 HydrophobicContact CB-CG1 3.96Å; Q101-S142 PolarHBondContact NE2-OG 2.84Å; Q101-S142 PolarHBondContact OE1-OG 3.36Å
102A98.9Very high98.7Very high0 Ų043.5 Ų43.50%021%0.207CC..Hα-helixtrans-67.3-40.1175.700000111.5L98 I99 G100 D104 V105 E106 V162 V166L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.05Å; I99-A102 PolarHBondContact O-N 3.13Å; G100-A102 PolarHBondContact O-N 3.43Å; A102-D104 VanDerWaalsContact C-N 3.31Å; A102-D104 PolarHBondContact O-N 3.36Å; A102-V105 WeakPolarHBondContact O-CB 3.39Å; A102-V105 PolarHBondContact O-N 3.45Å; A102-V105 VanDerWaalsContact O-N 3.13Å; A102-E106 PolarHBondContact O-N 2.88Å; A102-V162 HydrophobicContact CB-CG1 3.79Å; A102-V166 HydrophobicContact CB-CB 4.46Å; A102-V166 HydrophobicContact CB-CG2 4.13Å; A102-V166 WeakPolarHBondContact O-CG1 3.48Å
103E98.8Very high98.6Very high47 Ų4740.1 Ų40.122%0.2220%0.197CC..Hα-helixtrans-65.4-31.7175.8-76.6-71.5103.200112.9R16 L72 I99 G100 V105 E106 H107R16-E103 IonicContact CZ-OE1 3.88Å; R16-E103 IonicContact CZ-OE2 2.66Å; R16-E103 IonicContact NH1-OE1 2.75Å; R16-E103 PolarHBondContact NH1-OE1 3.35Å; R16-E103 IonicContact NH1-OE2 3.7Å; R16-E103 PolarHBondContact NH1-OE2 2.98Å; R16-E103 IonicContact NH2-OE1 3.27Å; R16-E103 IonicContact NH2-OE2 3.88Å; R16-E103 PolarHBondContact NH2-OE2 3.27Å; L72-E103 HydrophobicContact CD1-CG 3.62Å; L72-E103 VanDerWaalsContact CD1-OE2 3.27Å; L72-E103 WeakPolarHBondContact CD1-OE2 3.44Å; I99-E103 HydrophobicContact CG2-CG 4.28Å; I99-E103 WeakPolarHBondContact O-CB 3.32Å; I99-E103 WeakPolarHBondContact O-CG 3.33Å; I99-E103 PolarHBondContact O-N 3.04Å; G100-E103 PolarHBondContact O-N 3.45Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 PolarHBondContact O-N 3.13Å; E103-E106 WeakPolarHBondContact O-CB 3.46Å; E103-E106 PolarHBondContact O-N 2.98Å; E103-H107 WeakPolarHBondContact O-CB 3.25Å; E103-H107 PolarHBondContact O-N 3.27Å
104D98.8Very high98.3Very high88 Ų8842.3 Ų42.347%0.47121%0.214SC..Hα-helixtrans-64.5-36.9172.1-76.8-19.7000111.6G100 Q101 A102 E108 L135G100-D104 PolarHBondContact O-N 3.37Å; Q101-D104 PolarHBondContact O-N 3.35Å; A102-D104 VanDerWaalsContact C-N 3.31Å; A102-D104 PolarHBondContact O-N 3.36Å; D104-E108 PolarHBondContact O-N 3.18Å; D104-L135 HydrophobicContact CB-CD1 3.98Å; D104-L135 HydrophobicContact CB-CD2 3.72Å; D104-L135 HydrophobicContact CB-CG 4.49Å
105V98.8Very high98.1Very high1 Ų144.6 Ų44.61%0.00622%0.22CC..Hα-helixtrans-69.2-43.1173.4177.70000110.5Q101 A102 E103 H107 E108 Y109 L135 L136 I139 V166 V170Q101-V105 PolarHBondContact O-N 2.93Å; A102-V105 WeakPolarHBondContact O-CB 3.39Å; A102-V105 PolarHBondContact O-N 3.45Å; A102-V105 VanDerWaalsContact O-N 3.13Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 PolarHBondContact O-N 3.13Å; V105-H107 VanDerWaalsContact C-N 3.25Å; V105-H107 PolarHBondContact O-N 3.4Å; V105-E108 WeakPolarHBondContact O-CB 3.37Å; V105-E108 PolarHBondContact O-N 3.36Å; V105-Y109 PolarHBondContact O-N 3.34Å; V105-L135 HydrophobicContact CG2-CB 3.43Å; V105-L135 VanDerWaalsContact CG2-CB 3.43Å; V105-L135 HydrophobicContact CG2-CD1 3.9Å; V105-L135 HydrophobicContact CG2-CG 4.27Å; V105-L136 HydrophobicContact CG2-CD2 4.42Å; V105-I139 HydrophobicContact CG2-CD1 3.9Å; V105-V166 HydrophobicContact CB-CG1 3.58Å; V105-V166 HydrophobicContact CG1-CG1 3.49Å; V105-V166 VanDerWaalsContact CG1-CG1 3.49Å; V105-V170 HydrophobicContact CG1-CG2 3.56Å
106E98.6Very high98Very high12 Ų1248.8 Ų48.86%0.05625%0.247CC..Hα-helixtrans-59.4-37.9176.4-175.763.4-174.400111.9A102 E103 E108 Y109 H110 V166 H169A102-E106 PolarHBondContact O-N 2.88Å; E103-E106 WeakPolarHBondContact O-CB 3.46Å; E103-E106 PolarHBondContact O-N 2.98Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.25Å; E106-Y109 WeakPolarHBondContact O-CB 3.42Å; E106-Y109 PolarHBondContact O-N 3.38Å; E106-H110 WeakPolarHBondContact O-CB 3.27Å; E106-H110 PolarHBondContact O-N 3.2Å; E106-V166 HydrophobicContact CB-CG2 3.96Å; E106-H169 VanDerWaalsContact CD-ND1 3.33Å; E106-H169 IonicContact OE1-CE1 2.74Å; E106-H169 PolarHBondContact OE1-CE1 2.66Å; E106-H169 IonicContact OE1-ND1 3.63Å; E106-H169 PolarHBondContact OE1-ND1 3.06Å; E106-H169 IonicContact OE2-CE1 2.66Å; E106-H169 IonicContact OE2-CG 2.73Å; E106-H169 IonicContact OE2-ND1 3.03Å; E106-H169 PolarHBondContact OE2-ND1 3.06Å
107H98.5Very high97.9Very high110 Ų11052.4 Ų52.451%0.50926%0.264SS..Hα-helixtrans-60.8-39.2174.4177.475.8000112E103 V105 H110E103-H107 WeakPolarHBondContact O-CB 3.25Å; E103-H107 PolarHBondContact O-N 3.27Å; V105-H107 VanDerWaalsContact C-N 3.25Å; V105-H107 PolarHBondContact O-N 3.4Å; H107-H110 PolarHBondContact O-N 2.86Å
108E98.7Very high97.9Very high7 Ų757.5 Ų57.53%0.03329%0.288CS..Hα-helixtrans-67.5-44.4174.5-61.7-60.6135.400111.3D104 V105 E106 H110 K111 I127 K131 V132 L135D104-E108 PolarHBondContact O-N 3.18Å; V105-E108 WeakPolarHBondContact O-CB 3.37Å; V105-E108 PolarHBondContact O-N 3.36Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.25Å; E108-H110 VanDerWaalsContact C-N 3.3Å; E108-H110 PolarHBondContact O-N 2.82Å; E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 3.23Å; E108-K111 IonicContact OE1-NZ 2.89Å; E108-K111 PolarHBondContact OE1-NZ 3.26Å; E108-K111 IonicContact OE2-NZ 3.37Å; E108-K111 PolarHBondContact OE2-NZ 3.3Å; E108-I127 HydrophobicContact CB-CB 4.27Å; E108-I127 HydrophobicContact CB-CD1 4.35Å; E108-I127 HydrophobicContact CB-CG2 4.33Å; E108-I127 VanDerWaalsContact O-CD1 3.23Å; E108-I127 WeakPolarHBondContact O-CD1 3.46Å; E108-I127 WeakPolarHBondContact OE2-CG2 3.26Å; E108-K131 VanDerWaalsContact CD-CD 3.43Å; E108-K131 HydrophobicContact CG-CB 4.05Å; E108-K131 HydrophobicContact CG-CD 4.28Å; E108-K131 WeakPolarHBondContact OE1-CD 3.44Å; E108-K131 IonicContact OE1-NZ 3.61Å; E108-K131 PolarHBondContact OE1-NZ 3.37Å; E108-V132 HydrophobicContact CB-CG2 3.97Å; E108-L135 HydrophobicContact CG-CD1 4.18Å
109Y98.5Very high97.8Very high10 Ų1061.3 Ų61.34%0.03931%0.306CS..Hα-helixtrans-56.4-43.5173.4166.8-103.1000112V105 E106 K111 T112 L113 H169 L173 F211V105-Y109 PolarHBondContact O-N 3.34Å; E106-Y109 WeakPolarHBondContact O-CB 3.42Å; E106-Y109 PolarHBondContact O-N 3.38Å; Y109-K111 PolarHBondContact O-N 3.36Å; Y109-K111 VanDerWaalsContact O-N 3.09Å; Y109-T112 WeakPolarHBondContact O-CB 3.42Å; Y109-T112 WeakPolarHBondContact O-CG2 3.48Å; Y109-T112 PolarHBondContact O-N 3.07Å; Y109-T112 PolarHBondContact O-OG1 3.18Å; Y109-L113 HydrophobicContact CE1-CD1 4.01Å; Y109-L113 HydrophobicContact CE1-CD2 3.92Å; Y109-L113 HydrophobicContact CE1-CG 4.17Å; Y109-L113 HydrophobicContact CE2-CD2 4.49Å; Y109-H169 HydrophobicContact CD1-CB 3.89Å; Y109-H169 AromaticContact CD1-CG 3.85Å; Y109-H169 AromaticContact CD1-ND1 3.69Å; Y109-H169 HydrophobicContact CD2-CB 3.67Å; Y109-H169 HydrophobicContact CE1-CB 3.95Å; Y109-H169 AromaticContact CE1-CD2 3.9Å; Y109-H169 AromaticContact CE1-CE1 3.92Å; Y109-H169 AromaticContact CE1-CG 3.57Å; Y109-H169 AromaticContact CE1-ND1 3.57Å; Y109-H169 HydrophobicContact CE2-CB 3.72Å; Y109-H169 HydrophobicContact CG-CB 3.75Å; Y109-H169 AromaticContact CZ-CD2 3.78Å; Y109-H169 AromaticContact CZ-CG 3.69Å; Y109-L173 HydrophobicContact CD2-CD1 3.86Å; Y109-L173 HydrophobicContact CD2-CD2 4.06Å; Y109-L173 HydrophobicContact CD2-CG 3.85Å; Y109-L173 HydrophobicContact CE2-CD2 4.05Å; Y109-L173 HydrophobicContact CE2-CG 4.17Å; Y109-F211 WeakPolarHBondContact OH-CB 3.37Å
110H97.6Very high97.8Very high108 Ų10864.7 Ų64.750%0.532%0.321SS..Hα-helixtrans-59.1-27.4-176.4-160.381.8000113.2E106 H107 E108 T112 L113E106-H110 WeakPolarHBondContact O-CB 3.27Å; E106-H110 PolarHBondContact O-N 3.2Å; H107-H110 PolarHBondContact O-N 2.86Å; E108-H110 VanDerWaalsContact C-N 3.3Å; E108-H110 PolarHBondContact O-N 2.82Å; H110-T112 PolarHBondContact O-N 3.46Å; H110-T112 VanDerWaalsContact O-N 3.17Å; H110-L113 PolarHBondContact O-N 2.88Å; H110-L113 VanDerWaalsContact O-N 3.15Å
111K98.2Very high97.7Very high72 Ų7268.5 Ų68.531%0.31333%0.33SS..THydrogen-bonded Turntrans-61.7-22.7176.3-61174.2-171.9173.30113E108 Y109 I123 I127E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 3.23Å; E108-K111 IonicContact OE1-NZ 2.89Å; E108-K111 PolarHBondContact OE1-NZ 3.26Å; E108-K111 IonicContact OE2-NZ 3.37Å; E108-K111 PolarHBondContact OE2-NZ 3.3Å; Y109-K111 PolarHBondContact O-N 3.36Å; Y109-K111 VanDerWaalsContact O-N 3.09Å; K111-I123 HydrophobicContact CB-CG2 3.71Å; K111-I123 WeakPolarHBondContact O-CD1 3.31Å; K111-I127 HydrophobicContact CD-CG2 4.37Å
112T98.2Very high97.7Very high1 Ų174.5 Ų74.51%0.00636%0.356CS..THydrogen-bonded Turntrans-85.6-14.4-179.273.80000113.3Y109 H110 I123 I127 L173Y109-T112 WeakPolarHBondContact O-CB 3.42Å; Y109-T112 WeakPolarHBondContact O-CG2 3.48Å; Y109-T112 PolarHBondContact O-N 3.07Å; Y109-T112 PolarHBondContact O-OG1 3.18Å; H110-T112 PolarHBondContact O-N 3.46Å; H110-T112 VanDerWaalsContact O-N 3.17Å; T112-I123 HydrophobicContact CG2-CG2 3.97Å; T112-I127 HydrophobicContact CG2-CD1 3.71Å; T112-L173 HydrophobicContact CG2-CD1 3.93Å; T112-L173 HydrophobicContact CG2-CD2 4.04Å
113L96.4Very high97.7Very high46 Ų4675.7 Ų75.724%0.24136%0.362CS..THydrogen-bonded Turntrans-77.3146.3-175-61.5-177.2000111.7Y109 H110 K115Y109-L113 HydrophobicContact CE1-CD1 4.01Å; Y109-L113 HydrophobicContact CE1-CD2 3.92Å; Y109-L113 HydrophobicContact CE1-CG 4.17Å; Y109-L113 HydrophobicContact CE2-CD2 4.49Å; H110-L113 PolarHBondContact O-N 2.88Å; H110-L113 VanDerWaalsContact O-N 3.15Å; L113-K115 WeakPolarHBondContact O-CG 3.33Å; L113-K115 PolarHBondContact O-N 3.16Å; L113-K115 VanDerWaalsContact O-N 3.16Å
114M93.4Very high97.7Very high191 Ų19174.4 Ų74.494%0.94136%0.357SS*.THydrogen-bonded Turntrans57.229.2174.7-56.3161.259.800113.8
115K95.6Very high97.7Very high84 Ų8477.4 Ų77.437%0.36537%0.366SS..  trans-104.6148.9175.7-59.7-54.8-167143.30111.4L113 E119 K120 I123L113-K115 WeakPolarHBondContact O-CG 3.33Å; L113-K115 PolarHBondContact O-N 3.16Å; L113-K115 VanDerWaalsContact O-N 3.16Å; K115-E119 HydrophobicContact CB-CB 4.4Å; K115-E119 IonicContact NZ-OE1 3.19Å; K115-E119 PolarHBondContact NZ-OE1 3.47Å; K115-K120 HydrophobicContact CB-CB 4.15Å; K115-I123 HydrophobicContact CG-CD1 4.23Å
116P96.8Very high97.7Very high88 Ų8883.7 Ų83.757%0.57140%0.395SS*.  trans-55151163.8-21.933.6000111.1E118 E119 K120P116-E118 VanDerWaalsContact C-N 3.33Å; P116-E118 PolarHBondContact O-N 3.27Å; P116-E119 PolarHBondContact O-N 2.82Å; P116-E119 VanDerWaalsContact O-N 3.14Å; P116-K120 WeakPolarHBondContact O-CB 3.1Å; P116-K120 PolarHBondContact O-N 3.39Å
117Q96.3Very high97.7Very high115 Ų11583.4 Ų83.454%0.53739%0.394SS..Hα-helixtrans-55.2-43.4-171.6-176.561.123.400113.6K120 E121Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.74Å; Q117-E121 PolarHBondContact NE2-OE1 3.46Å; Q117-E121 WeakPolarHBondContact O-CG 3.36Å; Q117-E121 PolarHBondContact O-N 2.97Å
118E97.4Very high97.7Very high168 Ų16878.8 Ų78.879%0.78537%0.373SS*.Hα-helixtrans-63.4-44.2179.5-173.8-175.9172.600112.5P116 E121 K122P116-E118 VanDerWaalsContact C-N 3.33Å; P116-E118 PolarHBondContact O-N 3.27Å; E118-E121 PolarHBondContact O-N 2.68Å; E118-K122 PolarHBondContact O-N 3.34Å; E118-K122 VanDerWaalsContact O-N 3.15Å
119E97.9Very high97.7Very high82 Ų8284.5 Ų84.538%0.38340%0.404SS..Hα-helixtrans-67.7-40.2176.9-169.9-173.616400110.8K115 P116 E121 K122 I123K115-E119 HydrophobicContact CB-CB 4.4Å; K115-E119 IonicContact NZ-OE1 3.19Å; K115-E119 PolarHBondContact NZ-OE1 3.47Å; P116-E119 PolarHBondContact O-N 2.82Å; P116-E119 VanDerWaalsContact O-N 3.14Å; E119-E121 PolarHBondContact O-N 2.85Å; E119-K122 PolarHBondContact O-N 3.44Å; E119-I123 HydrophobicContact CG-CD1 3.94Å; E119-I123 WeakPolarHBondContact O-CG1 3.36Å; E119-I123 PolarHBondContact O-N 2.89Å
120K98.1Very high97.7Very high72 Ų7285.7 Ų85.731%0.31342%0.419SS..Hα-helixtrans-56.6-50.3174.8-177.2178.8177.4-177.40110.9K115 P116 Q117 K122 I123 T124K115-K120 HydrophobicContact CB-CB 4.15Å; P116-K120 WeakPolarHBondContact O-CB 3.1Å; P116-K120 PolarHBondContact O-N 3.39Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.74Å; K120-K122 VanDerWaalsContact C-N 3.35Å; K120-K122 PolarHBondContact O-N 3.24Å; K120-I123 PolarHBondContact O-N 3.42Å; K120-T124 WeakPolarHBondContact O-CB 3.46Å; K120-T124 PolarHBondContact O-N 3.05Å; K120-T124 PolarHBondContact O-OG1 3.33Å
121E98Very high97.7Very high113 Ų11386.1 Ų86.153%0.52842%0.42SS..Hα-helixtrans-60.5-42.2179.5-75.6174.4-168.300112.4Q117 E118 E119 T124 K125Q117-E121 PolarHBondContact NE2-OE1 3.46Å; Q117-E121 WeakPolarHBondContact O-CG 3.36Å; Q117-E121 PolarHBondContact O-N 2.97Å; E118-E121 PolarHBondContact O-N 2.68Å; E119-E121 PolarHBondContact O-N 2.85Å; E121-T124 PolarHBondContact O-N 2.91Å; E121-K125 WeakPolarHBondContact O-CB 3.23Å; E121-K125 PolarHBondContact O-N 3.37Å
122K98.5Very high97.7Very high150 Ų15082.9 Ų82.965%0.65241%0.405SS*.Hα-helixtrans-60.3-50.3175.7-178.1-175.4173.4-172.50111.6E118 E119 K120 K125 E126E118-K122 PolarHBondContact O-N 3.34Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E119-K122 PolarHBondContact O-N 3.44Å; K120-K122 VanDerWaalsContact C-N 3.35Å; K120-K122 PolarHBondContact O-N 3.24Å; K122-K125 PolarHBondContact O-N 3.38Å; K122-E126 PolarHBondContact O-N 3.49Å
123I98.6Very high97.8Very high25 Ų2584.3 Ų84.313%0.12842%0.415CS..Hα-helixtrans-64.2-44.2179.9-65.1169.9000110.3K111 T112 K115 E119 K120 K125 E126 I127K111-I123 HydrophobicContact CB-CG2 3.71Å; K111-I123 WeakPolarHBondContact O-CD1 3.31Å; T112-I123 HydrophobicContact CG2-CG2 3.97Å; K115-I123 HydrophobicContact CG-CD1 4.23Å; E119-I123 HydrophobicContact CG-CD1 3.94Å; E119-I123 WeakPolarHBondContact O-CG1 3.36Å; E119-I123 PolarHBondContact O-N 2.89Å; K120-I123 PolarHBondContact O-N 3.42Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 2.84Å; I123-E126 WeakPolarHBondContact O-CB 2.97Å; I123-E126 PolarHBondContact O-N 2.99Å; I123-E126 VanDerWaalsContact O-N 3.11Å; I123-I127 HydrophobicContact CG2-CG2 4.21Å; I123-I127 WeakPolarHBondContact O-CG1 3.37Å; I123-I127 PolarHBondContact O-N 3.3Å
124T98.7Very high97.9Very high19 Ų1986.3 Ų86.312%0.11743%0.429CS..Hα-helixtrans-54.9-47.8176.2-68.60000111K120 E121 E126 I127 L128 L173K120-T124 WeakPolarHBondContact O-CB 3.46Å; K120-T124 PolarHBondContact O-N 3.05Å; K120-T124 PolarHBondContact O-OG1 3.33Å; E121-T124 PolarHBondContact O-N 2.91Å; T124-E126 VanDerWaalsContact C-N 3.34Å; T124-E126 PolarHBondContact O-N 2.95Å; T124-I127 WeakPolarHBondContact O-CG1 3.38Å; T124-L128 HydrophobicContact CG2-CD1 3.67Å; T124-L128 HydrophobicContact CG2-CG 4.25Å; T124-L128 VanDerWaalsContact O-CB 3.28Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 VanDerWaalsContact O-CG 3.25Å; T124-L128 WeakPolarHBondContact O-CG 3.43Å; T124-L128 PolarHBondContact O-N 3.45Å; T124-L173 HydrophobicContact CG2-CB 3.95Å; T124-L173 HydrophobicContact CG2-CD1 4.49Å
125K98.5Very high98.1Very high152 Ų15278.1 Ų78.166%0.66139%0.389SS*.Hα-helixtrans-62.6-40.3177.3-171.7176.8-179.51780112.2E121 K122 I123 N129E121-K125 WeakPolarHBondContact O-CB 3.23Å; E121-K125 PolarHBondContact O-N 3.37Å; K122-K125 PolarHBondContact O-N 3.38Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 2.84Å; K125-N129 WeakPolarHBondContact O-CB 3.4Å; K125-N129 PolarHBondContact O-N 2.92Å; K125-N129 PolarHBondContact O-ND2 3.47Å
126E98.6Very high98.3Very high133 Ų13374.1 Ų74.162%0.62137%0.371SS*.Hα-helixtrans-63.6-50.5179.2-173.8-179.1151.900111.9K122 I123 T124 N129 G130K122-E126 PolarHBondContact O-N 3.49Å; I123-E126 WeakPolarHBondContact O-CB 2.97Å; I123-E126 PolarHBondContact O-N 2.99Å; I123-E126 VanDerWaalsContact O-N 3.11Å; T124-E126 VanDerWaalsContact C-N 3.34Å; T124-E126 PolarHBondContact O-N 2.95Å; E126-N129 PolarHBondContact O-N 3.32Å; E126-G130 WeakPolarHBondContact O-CA 3.43Å; E126-G130 PolarHBondContact O-N 3.06Å
127I98.7Very high98.4Very high5 Ų574.2 Ų74.23%0.02637%0.367CS..Hα-helixtrans-71-38.6-175.768.2179.9000112.2E108 K111 T112 I123 T124 N129 G130 K131 V132 L173E108-I127 HydrophobicContact CB-CB 4.27Å; E108-I127 HydrophobicContact CB-CD1 4.35Å; E108-I127 HydrophobicContact CB-CG2 4.33Å; E108-I127 VanDerWaalsContact O-CD1 3.23Å; E108-I127 WeakPolarHBondContact O-CD1 3.46Å; E108-I127 WeakPolarHBondContact OE2-CG2 3.26Å; K111-I127 HydrophobicContact CD-CG2 4.37Å; T112-I127 HydrophobicContact CG2-CD1 3.71Å; I123-I127 HydrophobicContact CG2-CG2 4.21Å; I123-I127 WeakPolarHBondContact O-CG1 3.37Å; I123-I127 PolarHBondContact O-N 3.3Å; T124-I127 WeakPolarHBondContact O-CG1 3.38Å; I127-N129 VanDerWaalsContact C-N 3.31Å; I127-N129 PolarHBondContact O-N 2.87Å; I127-G130 CarbonylContact O-C 3.59Å; I127-G130 PolarHBondContact O-N 3.23Å; I127-G130 VanDerWaalsContact O-N 3.15Å; I127-K131 PolarHBondContact O-N 3.29Å; I127-V132 HydrophobicContact CB-CG2 4.1Å; I127-V132 HydrophobicContact CG1-CG2 4.21Å; I127-V132 WeakPolarHBondContact O-CB 3.45Å; I127-V132 WeakPolarHBondContact O-CG2 3.27Å; I127-V132 PolarHBondContact O-N 3.2Å; I127-L173 HydrophobicContact CD1-CD1 3.77Å
128L98.6Very high98.5Very high13 Ų1373 Ų737%0.06836%0.362CS..Hα-helixtrans-71.9-23.6-179.7-68.4-174.5000112.8T124 V132 P133 V170 L173 D174 F177T124-L128 HydrophobicContact CG2-CD1 3.67Å; T124-L128 HydrophobicContact CG2-CG 4.25Å; T124-L128 VanDerWaalsContact O-CB 3.28Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 VanDerWaalsContact O-CG 3.25Å; T124-L128 WeakPolarHBondContact O-CG 3.43Å; T124-L128 PolarHBondContact O-N 3.45Å; L128-V132 HydrophobicContact CD2-CB 4.26Å; L128-V132 HydrophobicContact CD2-CG1 4.04Å; L128-V132 HydrophobicContact CD2-CG2 4.33Å; L128-P133 VanDerWaalsContact O-CD 3.28Å; L128-P133 WeakPolarHBondContact O-CD 3.32Å; L128-P133 WeakPolarHBondContact O-CG 3.21Å; L128-V170 HydrophobicContact CD2-CG1 4.33Å; L128-L173 HydrophobicContact CD1-CB 4.27Å; L128-D174 HydrophobicContact CD1-CB 3.66Å; L128-F177 HydrophobicContact CB-CD2 4.28Å; L128-F177 HydrophobicContact CB-CE2 3.73Å; L128-F177 HydrophobicContact CB-CZ 4.31Å; L128-F177 HydrophobicContact CD1-CD2 4.19Å; L128-F177 HydrophobicContact CD1-CE2 4.47Å; L128-F177 HydrophobicContact CD2-CD1 4.41Å; L128-F177 HydrophobicContact CD2-CD2 4.03Å; L128-F177 HydrophobicContact CD2-CE1 4.25Å; L128-F177 HydrophobicContact CD2-CE2 3.88Å; L128-F177 HydrophobicContact CD2-CG 4.3Å; L128-F177 HydrophobicContact CD2-CZ 3.98Å; L128-F177 HydrophobicContact CG-CD2 4.4Å; L128-F177 HydrophobicContact CG-CE2 4.22Å; L128-F177 WeakPolarHBondContact O-CE2 3.47Å; L128-F177 WeakPolarHBondContact O-CZ 3.46Å
129N98.5Very high98.6Very high127 Ų12765 Ų6568%0.67933%0.325SS*.THydrogen-bonded Turntrans-98.51.3171.2-66.4-66.5000113.2K125 E126 I127K125-N129 WeakPolarHBondContact O-CB 3.4Å; K125-N129 PolarHBondContact O-N 2.92Å; K125-N129 PolarHBondContact O-ND2 3.47Å; E126-N129 PolarHBondContact O-N 3.32Å; I127-N129 VanDerWaalsContact C-N 3.31Å; I127-N129 PolarHBondContact O-N 2.87Å
130G98.5Very high98.6Very high35 Ų3561.2 Ų61.236%0.36131%0.308SS..THydrogen-bonded Turntrans-119-107.5-174.500000112.1E126 I127 P133E126-G130 WeakPolarHBondContact O-CA 3.43Å; E126-G130 PolarHBondContact O-N 3.06Å; I127-G130 CarbonylContact O-C 3.59Å; I127-G130 PolarHBondContact O-N 3.23Å; I127-G130 VanDerWaalsContact O-N 3.15Å; G130-P133 WeakPolarHBondContact O-CD 3.49Å
131K98.4Very high98.6Very high118 Ų11863.2 Ų63.251%0.51332%0.318SS..Hα-helixtrans-72.8-32.2-171.6-74.3179.1173.6-169.80114.3E108 I127 V134 L135E108-K131 VanDerWaalsContact CD-CD 3.43Å; E108-K131 HydrophobicContact CG-CB 4.05Å; E108-K131 HydrophobicContact CG-CD 4.28Å; E108-K131 WeakPolarHBondContact OE1-CD 3.44Å; E108-K131 IonicContact OE1-NZ 3.61Å; E108-K131 PolarHBondContact OE1-NZ 3.37Å; I127-K131 PolarHBondContact O-N 3.29Å; K131-V134 WeakPolarHBondContact O-CB 3.14Å; K131-V134 PolarHBondContact O-N 3.05Å; K131-V134 VanDerWaalsContact O-N 3.12Å; K131-L135 HydrophobicContact CB-CD1 4.31Å; K131-L135 WeakPolarHBondContact O-CG 3.45Å; K131-L135 PolarHBondContact O-N 2.87Å
132V98.7Very high98.7Very high3 Ų358.5 Ų58.52%0.01830%0.298CS..Hα-helixtrans-59-49.6-175.71740000111.4E108 I127 L128 V134 L135 L136 V170 F177E108-V132 HydrophobicContact CB-CG2 3.97Å; I127-V132 HydrophobicContact CB-CG2 4.1Å; I127-V132 HydrophobicContact CG1-CG2 4.21Å; I127-V132 WeakPolarHBondContact O-CB 3.45Å; I127-V132 WeakPolarHBondContact O-CG2 3.27Å; I127-V132 PolarHBondContact O-N 3.2Å; L128-V132 HydrophobicContact CD2-CB 4.26Å; L128-V132 HydrophobicContact CD2-CG1 4.04Å; L128-V132 HydrophobicContact CD2-CG2 4.33Å; V132-V134 VanDerWaalsContact C-N 3.31Å; V132-V134 PolarHBondContact O-N 3.39Å; V132-L135 PolarHBondContact O-N 2.85Å; V132-L136 HydrophobicContact CG1-CD1 4.26Å; V132-L136 HydrophobicContact CG1-CG 4.17Å; V132-L136 WeakPolarHBondContact O-CG 3.11Å; V132-L136 PolarHBondContact O-N 2.69Å; V132-V170 HydrophobicContact CG1-CG1 4.27Å; V132-V170 HydrophobicContact CG1-CG2 4.3Å; V132-F177 HydrophobicContact CG1-CE1 3.71Å; V132-F177 HydrophobicContact CG1-CZ 4.04Å
133P98.7Very high98.7Very high32 Ų3252.3 Ų52.321%0.20827%0.272CS..Hα-helixtrans-55.1-40.6173.7-25.529.9000114.7L128 G130 N137 F177L128-P133 VanDerWaalsContact O-CD 3.28Å; L128-P133 WeakPolarHBondContact O-CD 3.32Å; L128-P133 WeakPolarHBondContact O-CG 3.21Å; G130-P133 WeakPolarHBondContact O-CD 3.49Å; P133-N137 PolarHBondContact O-N 3.25Å; P133-N137 PolarHBondContact O-ND2 3.45Å; P133-F177 HydrophobicContact CG-CZ 4Å
134V98.8Very high98.7Very high87 Ų8756.5 Ų56.553%0.52729%0.289SS..Hα-helixtrans-63.9-47179.9177.80000110.3K131 V132 N137 M138K131-V134 WeakPolarHBondContact O-CB 3.14Å; K131-V134 PolarHBondContact O-N 3.05Å; K131-V134 VanDerWaalsContact O-N 3.12Å; V132-V134 VanDerWaalsContact C-N 3.31Å; V132-V134 PolarHBondContact O-N 3.39Å; V134-N137 WeakPolarHBondContact O-CB 3.45Å; V134-N137 PolarHBondContact O-N 3.48Å; V134-M138 WeakPolarHBondContact O-CG 3.48Å; V134-M138 PolarHBondContact O-N 2.87Å; V134-M138 VanDerWaalsContact O-N 3.13Å
135L98.8Very high98.7Very high19 Ų1958.5 Ų58.510%0.09931%0.314CS..Hα-helixtrans-68.1-39.3179.5-66.4167.6000112D104 V105 E108 K131 V132 N137 M138 I139D104-L135 HydrophobicContact CB-CD1 3.98Å; D104-L135 HydrophobicContact CB-CD2 3.72Å; D104-L135 HydrophobicContact CB-CG 4.49Å; V105-L135 HydrophobicContact CG2-CB 3.43Å; V105-L135 VanDerWaalsContact CG2-CB 3.43Å; V105-L135 HydrophobicContact CG2-CD1 3.9Å; V105-L135 HydrophobicContact CG2-CG 4.27Å; E108-L135 HydrophobicContact CG-CD1 4.18Å; K131-L135 HydrophobicContact CB-CD1 4.31Å; K131-L135 WeakPolarHBondContact O-CG 3.45Å; K131-L135 PolarHBondContact O-N 2.87Å; V132-L135 PolarHBondContact O-N 2.85Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.4Å; L135-M138 HydrophobicContact CD2-SD 4.32Å; L135-M138 WeakPolarHBondContact O-CB 3.35Å; L135-M138 PolarHBondContact O-N 2.9Å; L135-M138 VanDerWaalsContact O-N 3.13Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.34Å
136L98.8Very high98.7Very high0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-62.7-35.7173.8-69.6-167.3000112.1V105 V132 I139 C140 I167 F177 Y182 I185V105-L136 HydrophobicContact CG2-CD2 4.42Å; V132-L136 HydrophobicContact CG1-CD1 4.26Å; V132-L136 HydrophobicContact CG1-CG 4.17Å; V132-L136 WeakPolarHBondContact O-CG 3.11Å; V132-L136 PolarHBondContact O-N 2.69Å; L136-I139 HydrophobicContact CD2-CD1 4.19Å; L136-I139 PolarHBondContact O-N 2.99Å; L136-C140 PolarHBondContact O-N 3.12Å; L136-I167 HydrophobicContact CD2-CD1 3.6Å; L136-F177 HydrophobicContact CD1-CD1 4.09Å; L136-F177 HydrophobicContact CD1-CE1 3.64Å; L136-Y182 HydrophobicContact CB-CD1 4.01Å; L136-Y182 HydrophobicContact CB-CE1 3.58Å; L136-Y182 HydrophobicContact CD1-CD2 4.07Å; L136-Y182 HydrophobicContact CD1-CE1 4.2Å; L136-Y182 HydrophobicContact CD1-CE2 3.73Å; L136-Y182 HydrophobicContact CD1-CG 4.45Å; L136-I185 HydrophobicContact CB-CD1 4.41Å; L136-I185 HydrophobicContact CD2-CD1 3.98Å
137N98.7Very high98.6Very high90 Ų9052 Ų5248%0.48130%0.297SS..Hα-helixtrans-64.6-41.4172.4-73-21.2000111.7P133 V134 L135 I139 C140 E141 Y182P133-N137 PolarHBondContact O-N 3.25Å; P133-N137 PolarHBondContact O-ND2 3.45Å; V134-N137 WeakPolarHBondContact O-CB 3.45Å; V134-N137 PolarHBondContact O-N 3.48Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.4Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.39Å; N137-C140 WeakPolarHBondContact O-CB 3.36Å; N137-C140 PolarHBondContact O-N 2.85Å; N137-E141 WeakPolarHBondContact O-CG 3.49Å; N137-E141 PolarHBondContact O-N 3.34Å; N137-Y182 WeakPolarHBondContact OD1-CE1 3.26Å
138M98.8Very high98.6Very high89 Ų8952.9 Ų52.944%0.43831%0.307SS..Hα-helixtrans-62-39.4174.9-64.8178.771.700112.2V134 L135 E141 S142V134-M138 WeakPolarHBondContact O-CG 3.48Å; V134-M138 PolarHBondContact O-N 2.87Å; V134-M138 VanDerWaalsContact O-N 3.13Å; L135-M138 HydrophobicContact CD2-SD 4.32Å; L135-M138 WeakPolarHBondContact O-CB 3.35Å; L135-M138 PolarHBondContact O-N 2.9Å; L135-M138 VanDerWaalsContact O-N 3.13Å; M138-E141 PolarHBondContact O-N 3.29Å; M138-S142 PolarHBondContact O-N 2.91Å; M138-S142 PolarHBondContact O-OG 3Å
139I98.9Very high98.6Very high0 Ų058.3 Ų58.30%033%0.33CS..Hα-helixtrans-62.8-47.6173.5-73.6168.2000110.5L98 Q101 V105 L135 L136 N137 E141 S142 L143 L163 I185L98-I139 HydrophobicContact CD1-CB 4.37Å; L98-I139 HydrophobicContact CD1-CG1 4.1Å; L98-I139 HydrophobicContact CD1-CG2 4.2Å; Q101-I139 HydrophobicContact CB-CG1 3.96Å; V105-I139 HydrophobicContact CG2-CD1 3.9Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 3.34Å; L136-I139 HydrophobicContact CD2-CD1 4.19Å; L136-I139 PolarHBondContact O-N 2.99Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.39Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.65Å; I139-S142 WeakPolarHBondContact O-CB 3.44Å; I139-S142 PolarHBondContact O-N 3.17Å; I139-S142 VanDerWaalsContact O-N 3.16Å; I139-L143 HydrophobicContact CG2-CD1 4.11Å; I139-L143 HydrophobicContact CG2-CG 4.4Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 2.86Å; I139-L163 HydrophobicContact CD1-CD1 4.1Å; I139-L163 HydrophobicContact CG2-CD1 3.65Å; I139-L163 HydrophobicContact CG2-CD2 4.18Å; I139-I185 HydrophobicContact CG2-CD1 4.11Å; I139-I185 HydrophobicContact CG2-CG1 4.19Å
140C98.8Very high98.6Very high4 Ų452.4 Ų52.43%0.02730%0.299CS..Hα-helixtrans-55.9-45.3175.5-81.70000112L136 N137 L143 K144 E184L136-C140 PolarHBondContact O-N 3.12Å; N137-C140 WeakPolarHBondContact O-CB 3.36Å; N137-C140 PolarHBondContact O-N 2.85Å; C140-L143 PolarHBondContact O-N 2.97Å; C140-K144 WeakPolarHBondContact O-CG 3.49Å; C140-K144 PolarHBondContact O-N 3.43Å; C140-E184 HydrophobicContact CB-CB 4.43Å; C140-E184 PolarHBondContact SG-OE2 3.37Å
141E98.8Very high98.6Very high114 Ų11451 Ų5153%0.53328%0.284SS..Hα-helixtrans-65.3-38.6177-66.6-52.7121.600112.4N137 M138 I139 L143 K144 G145N137-E141 WeakPolarHBondContact O-CG 3.49Å; N137-E141 PolarHBondContact O-N 3.34Å; M138-E141 PolarHBondContact O-N 3.29Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.65Å; E141-L143 PolarHBondContact O-N 3.04Å; E141-K144 PolarHBondContact O-N 3.3Å; E141-K144 IonicContact OE1-NZ 3.19Å; E141-K144 PolarHBondContact OE1-NZ 3.33Å; E141-G145 PolarHBondContact O-N 3.06Å; E141-G145 VanDerWaalsContact O-N 3.11Å
142S98.8Very high98.7Very high14 Ų1446 Ų4610%0.09826%0.263CS..Hα-helixtrans-61.4-42.4172.2-77.80000112.6K97 Q101 M138 I139 G145K97-S142 PolarHBondContact NZ-OG 2.85Å; Q101-S142 PolarHBondContact NE2-OG 2.84Å; Q101-S142 PolarHBondContact OE1-OG 3.36Å; M138-S142 PolarHBondContact O-N 2.91Å; M138-S142 PolarHBondContact O-OG 3Å; I139-S142 WeakPolarHBondContact O-CB 3.44Å; I139-S142 PolarHBondContact O-N 3.17Å; I139-S142 VanDerWaalsContact O-N 3.16Å; S142-G145 PolarHBondContact O-N 2.69Å
143L98.8Very high98.6Very high19 Ų1946.1 Ų46.110%0.09927%0.265CS..Hα-helixtrans-65-40.9177.7-69.4174.5000111.7L98 I139 C140 E141 G145 S146 A151 L163 E184 I185 H188L98-L143 HydrophobicContact CD2-CD2 4.08Å; I139-L143 HydrophobicContact CG2-CD1 4.11Å; I139-L143 HydrophobicContact CG2-CG 4.4Å; I139-L143 WeakPolarHBondContact O-CG 3.34Å; I139-L143 PolarHBondContact O-N 2.86Å; C140-L143 PolarHBondContact O-N 2.97Å; E141-L143 PolarHBondContact O-N 3.04Å; L143-G145 PolarHBondContact O-N 2.99Å; L143-S146 WeakPolarHBondContact O-CB 3.33Å; L143-S146 PolarHBondContact O-N 2.64Å; L143-S146 VanDerWaalsContact O-N 3.15Å; L143-A151 HydrophobicContact CD2-CB 4.22Å; L143-L163 HydrophobicContact CD1-CD2 4.07Å; L143-L163 HydrophobicContact CD2-CD2 3.91Å; L143-L163 HydrophobicContact CG-CD2 4.37Å; L143-E184 HydrophobicContact CB-CB 4.34Å; L143-E184 HydrophobicContact CD1-CB 4.17Å; L143-I185 HydrophobicContact CD1-CG1 4.03Å; L143-H188 HydrophobicContact CD1-CB 4.01Å; L143-H188 HydrophobicContact CD2-CB 4.25Å
144K98.7Very high98.6Very high113 Ų11348.7 Ų48.749%0.49128%0.277SS..Hα-helixtrans-61.8-29.7173.8-70.8173-170.8168.70112.8C140 E141 S146 E184C140-K144 WeakPolarHBondContact O-CG 3.49Å; C140-K144 PolarHBondContact O-N 3.43Å; E141-K144 PolarHBondContact O-N 3.3Å; E141-K144 IonicContact OE1-NZ 3.19Å; E141-K144 PolarHBondContact OE1-NZ 3.33Å; K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å; K144-E184 HydrophobicContact CD-CG 4.48Å; K144-E184 VanDerWaalsContact CE-CD 3.45Å; K144-E184 WeakPolarHBondContact CE-OE1 3.42Å; K144-E184 HydrophobicContact CG-CG 3.92Å; K144-E184 IonicContact NZ-OE1 2.73Å
145G98.2Very high98.6Very high62 Ų6250.4 Ų50.464%0.63928%0.277SS*.THydrogen-bonded Turntrans-78.3-4.8177.500000114.8E141 S142 L143E141-G145 PolarHBondContact O-N 3.06Å; E141-G145 VanDerWaalsContact O-N 3.11Å; S142-G145 PolarHBondContact O-N 2.69Å; L143-G145 PolarHBondContact O-N 2.99Å
146S98.6Very high98.6Very high24 Ų2450.7 Ų50.717%0.16828%0.28CS..  trans-65.8142.6176.7-173.60000111.5L143 K144 G148 L150 A151 G153L143-S146 WeakPolarHBondContact O-CB 3.33Å; L143-S146 PolarHBondContact O-N 2.64Å; L143-S146 VanDerWaalsContact O-N 3.15Å; K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å; S146-G148 PolarHBondContact O-N 2.97Å; S146-G148 PolarHBondContact OG-N 3.43Å; S146-G148 PolarHBondContact OG-O 3.15Å; S146-L150 WeakPolarHBondContact CB-O 3.29Å; S146-L150 PolarHBondContact OG-O 3.21Å; S146-A151 WeakPolarHBondContact CB-O 3.34Å; S146-A151 PolarHBondContact OG-O 3.32Å; S146-G153 PolarHBondContact OG-N 3.4Å
147T98.1Very high98.6Very high125 Ų12551 Ų5177%0.76728%0.281SS*.SBendtrans-77-8.5175.153.10000113.3
148G98Very high98.6Very high23 Ų2346.7 Ų46.724%0.23726%0.258CS..SBendtrans-141.9-158.4-178.700000112.8S146 G153S146-G148 PolarHBondContact O-N 2.97Å; S146-G148 PolarHBondContact OG-N 3.43Å; S146-G148 PolarHBondContact OG-O 3.15Å; G148-G153 CarbonylContact C-O 3.55Å; G148-G153 VanDerWaalsContact C-O 3.31Å; G148-G153 WeakPolarHBondContact CA-O 3.28Å
149K98.4Very high98.6Very high127 Ų12742.4 Ų42.455%0.55224%0.238SC*.SBendtrans-84.3-15.7-173.1-68.3177.6-149.371.50115G153 D154 N191K149-G153 PolarHBondContact N-O 2.77Å; K149-D154 WeakPolarHBondContact CG-OD1 3.17Å; K149-D154 PolarHBondContact N-OD1 3.38Å; K149-D154 IonicContact NZ-OD1 3.59Å; K149-D154 PolarHBondContact NZ-OD1 3.19Å; K149-N191 HydrophobicContact CB-CB 4.29Å; K149-N191 WeakPolarHBondContact O-CB 3.48Å; K149-N191 PolarHBondContact O-ND2 2.82Å
150L98.8Very high98.6Very high3 Ų342.4 Ų42.42%0.01624%0.238CC..SBendtrans-104.2-175.3-178.6-61.9-174.3000110.4S146 V152 G153 K155 V156 N191 L192S146-L150 WeakPolarHBondContact CB-O 3.29Å; S146-L150 PolarHBondContact OG-O 3.21Å; L150-V152 PolarHBondContact O-N 3.11Å; L150-G153 PolarHBondContact N-O 3.5Å; L150-K155 VanDerWaalsContact CD1-C 3.47Å; L150-V156 HydrophobicContact CD1-CB 4.5Å; L150-V156 HydrophobicContact CD1-CG2 3.92Å; L150-N191 HydrophobicContact CD2-CB 3.88Å; L150-L192 HydrophobicContact CD2-CB 4.11Å
151A98.8Very high98.6Very high6 Ų642.2 Ų42.25%0.0524%0.236CC..SBendtrans-55.9-39.7-178.100000113.2L98 L143 S146 A159 D160L98-A151 HydrophobicContact CD2-CB 3.44Å; L98-A151 VanDerWaalsContact CD2-CB 3.44Å; L143-A151 HydrophobicContact CD2-CB 4.22Å; S146-A151 WeakPolarHBondContact CB-O 3.34Å; S146-A151 PolarHBondContact OG-O 3.32Å; A151-A159 HydrophobicContact CB-CB 4.09Å; A151-D160 WeakPolarHBondContact CB-OD1 3.48Å; A151-D160 PolarHBondContact N-OD1 3.23Å
152V98.8Very high98.7Very high11 Ų1137 Ų377%0.06721%0.212CC..SBendtrans-140105.2176.3-176.40000108.3E91 V95 L150 T157E91-V152 HydrophobicContact CB-CG1 3.82Å; E91-V152 HydrophobicContact CG-CG1 3.92Å; V95-V152 HydrophobicContact CB-CG2 4.48Å; V95-V152 HydrophobicContact CG2-CB 4.02Å; V95-V152 HydrophobicContact CG2-CG1 4.27Å; V95-V152 HydrophobicContact CG2-CG2 3.73Å; L150-V152 PolarHBondContact O-N 3.11Å; V152-T157 HydrophobicContact CB-CG2 4.31Å
153G98.5Very high98.7Very high6 Ų636.3 Ų36.36%0.06221%0.207CC..THydrogen-bonded Turntrans71.8-151.7-17800000113.3S146 G148 K149 L150S146-G153 PolarHBondContact OG-N 3.4Å; G148-G153 CarbonylContact C-O 3.55Å; G148-G153 VanDerWaalsContact C-O 3.31Å; G148-G153 WeakPolarHBondContact CA-O 3.28Å; K149-G153 PolarHBondContact N-O 2.77Å; L150-G153 PolarHBondContact N-O 3.5Å
154D98.5Very high98.6Very high87 Ų8735.5 Ų35.547%0.46520%0.203SC..THydrogen-bonded Turntrans-106.3-1.3-179.7-76.3-66.8000113.5K149K149-D154 WeakPolarHBondContact CG-OD1 3.17Å; K149-D154 PolarHBondContact N-OD1 3.38Å; K149-D154 IonicContact NZ-OD1 3.59Å; K149-D154 PolarHBondContact NZ-OD1 3.19Å
155K98.5Very high98.6Very high123 Ų12330.6 Ų30.654%0.53518%0.184SC..SBendtrans-105146.5-179.7-66.3177.3-174.7166.50110.8E87 L150 T157E87-K155 IonicContact OE1-NZ 3.59Å; E87-K155 PolarHBondContact OE1-NZ 2.75Å; E87-K155 IonicContact OE2-NZ 2.69Å; E87-K155 PolarHBondContact OE2-NZ 2.82Å; E87-K155 VanDerWaalsContact OE2-NZ 3.16Å; L150-K155 VanDerWaalsContact CD1-C 3.47Å; K155-T157 PolarHBondContact O-N 3.37Å
156V98.8Very high98.7Very high25 Ų2527.9 Ų27.915%0.15216%0.155CC..  trans-65.8127.7179.4-175.10000109.7A26 M84 L150 D160 L161 L192A26-V156 HydrophobicContact CB-CG1 4.49Å; M84-V156 HydrophobicContact CE-CB 4.2Å; M84-V156 HydrophobicContact CE-CG1 3.59Å; L150-V156 HydrophobicContact CD1-CB 4.5Å; L150-V156 HydrophobicContact CD1-CG2 3.92Å; V156-D160 HydrophobicContact CG1-CB 4.38Å; V156-L161 HydrophobicContact CG1-CD2 3.94Å; V156-L161 HydrophobicContact CG1-CG 4.43Å; V156-L192 HydrophobicContact CG1-CD1 3.91Å; V156-L192 HydrophobicContact CG2-CD1 3.92Å
157T98.9Very high98.7Very high5 Ų527 Ų273%0.03115%0.148CC..  trans-118.2169.8173.565.40000110.9M84 V95 V152 K155 A159 D160M84-T157 CarbonylContact O-C 3.31Å; M84-T157 VanDerWaalsContact O-CA 3.27Å; M84-T157 WeakPolarHBondContact O-CA 3.38Å; M84-T157 WeakPolarHBondContact O-CB 3.45Å; V95-T157 HydrophobicContact CG2-CG2 3.85Å; V152-T157 HydrophobicContact CB-CG2 4.31Å; K155-T157 PolarHBondContact O-N 3.37Å; T157-A159 PolarHBondContact O-N 3.46Å; T157-A159 PolarHBondContact OG1-N 3.31Å; T157-D160 PolarHBondContact N-OD2 2.75Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 3.03Å; T157-D160 PolarHBondContact OG1-OD2 2.83Å
158L98.9Very high98.7Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-59-31173.6-17958.5000112.4T23 A75 R76 A79 M84 M85 I99 D160 L161 V162T23-L158 WeakPolarHBondContact OG1-CD1 3.17Å; A75-L158 HydrophobicContact CB-CD1 3.86Å; A75-L158 HydrophobicContact CB-CD2 4.15Å; R76-L158 HydrophobicContact CB-CD2 4.33Å; R76-L158 HydrophobicContact CG-CD2 3.65Å; A79-L158 HydrophobicContact CB-CB 3.86Å; A79-L158 HydrophobicContact CB-CD2 4.22Å; A79-L158 HydrophobicContact CB-CG 4.45Å; M84-L158 PolarHBondContact O-N 3.17Å; M85-L158 HydrophobicContact SD-CB 3.69Å; M85-L158 HydrophobicContact SD-CD2 3.79Å; M85-L158 HydrophobicContact SD-CG 4.4Å; I99-L158 HydrophobicContact CD1-CB 4.15Å; I99-L158 HydrophobicContact CD1-CD2 3.77Å; I99-L158 HydrophobicContact CD1-CG 3.79Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 2.87Å; L158-L161 PolarHBondContact O-N 3.46Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L158-V162 HydrophobicContact CD1-CG2 3.95Å; L158-V162 HydrophobicContact CG-CG2 4.04Å; L158-V162 WeakPolarHBondContact O-CG2 3.27Å; L158-V162 PolarHBondContact O-N 2.69Å
159A98.9Very high98.7Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-60.2-39178.500000112.3V95 L98 I99 A151 T157 L161 L163V95-A159 HydrophobicContact CB-CB 4.4Å; V95-A159 HydrophobicContact CG1-CB 4.07Å; L98-A159 HydrophobicContact CB-CB 4.09Å; L98-A159 HydrophobicContact CD2-CB 4.09Å; L98-A159 HydrophobicContact CG-CB 4.43Å; I99-A159 HydrophobicContact CG1-CB 4.29Å; A151-A159 HydrophobicContact CB-CB 4.09Å; T157-A159 PolarHBondContact O-N 3.46Å; T157-A159 PolarHBondContact OG1-N 3.31Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 2.94Å; A159-L163 WeakPolarHBondContact O-CB 3.47Å; A159-L163 PolarHBondContact O-N 3.28Å
160D98.9Very high98.7Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-60.1-43175.5-62.9-70.7000112.1A151 V156 T157 L158 I164 H188 L192A151-D160 WeakPolarHBondContact CB-OD1 3.48Å; A151-D160 PolarHBondContact N-OD1 3.23Å; V156-D160 HydrophobicContact CG1-CB 4.38Å; T157-D160 PolarHBondContact N-OD2 2.75Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 3.03Å; T157-D160 PolarHBondContact OG1-OD2 2.83Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 2.87Å; D160-I164 PolarHBondContact O-N 3.15Å; D160-H188 IonicContact OD1-CD2 3.36Å; D160-H188 IonicContact OD1-CE1 3.49Å; D160-H188 IonicContact OD1-NE2 2.86Å; D160-H188 PolarHBondContact OD1-NE2 3.24Å; D160-L192 HydrophobicContact CB-CD1 3.82Å; D160-L192 HydrophobicContact CB-CD2 4.01Å; D160-L192 HydrophobicContact CB-CG 4.5Å
161L98.9Very high98.7Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-73.4-43.6-174.6-51-176.9000111.7M22 T23 A26 M84 V156 L158 A159 L163 I164 A165 L199M22-L161 HydrophobicContact CB-CB 4.1Å; M22-L161 HydrophobicContact CB-CD1 4.04Å; M22-L161 HydrophobicContact CB-CD2 4.22Å; M22-L161 HydrophobicContact CB-CG 4.34Å; M22-L161 HydrophobicContact SD-CB 4.33Å; T23-L161 WeakPolarHBondContact OG1-CD1 3.26Å; A26-L161 HydrophobicContact CB-CD1 4.45Å; M84-L161 HydrophobicContact CE-CD1 3.76Å; M84-L161 HydrophobicContact CE-CG 4.46Å; V156-L161 HydrophobicContact CG1-CD2 3.94Å; V156-L161 HydrophobicContact CG1-CG 4.43Å; L158-L161 PolarHBondContact O-N 3.46Å; L158-L161 VanDerWaalsContact O-N 3.15Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 2.94Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-I164 VanDerWaalsContact O-CG1 3.28Å; L161-I164 WeakPolarHBondContact O-CG1 3.39Å; L161-A165 PolarHBondContact O-N 3.43Å; L161-L199 HydrophobicContact CD2-CD1 4.33Å; L161-L199 HydrophobicContact CD2-CD2 3.63Å
162V98.9Very high98.6Very high4 Ų420 Ų202%0.02411%0.107CC..Hα-helixtrans-63.8-43.1175.4175.90000109.9L72 I99 A102 L158 I164 A165 V166L72-V162 HydrophobicContact CD2-CG2 3.92Å; I99-V162 HydrophobicContact CG1-CB 4.44Å; I99-V162 HydrophobicContact CG1-CG2 4.27Å; I99-V162 HydrophobicContact CG2-CG1 4.47Å; A102-V162 HydrophobicContact CB-CG1 3.79Å; L158-V162 HydrophobicContact CD1-CG2 3.95Å; L158-V162 HydrophobicContact CG-CG2 4.04Å; L158-V162 WeakPolarHBondContact O-CG2 3.27Å; L158-V162 PolarHBondContact O-N 2.69Å; V162-I164 PolarHBondContact O-N 3.49Å; V162-A165 PolarHBondContact O-N 3.38Å; V162-V166 HydrophobicContact CG1-CG2 4.35Å; V162-V166 WeakPolarHBondContact O-CG2 3.27Å; V162-V166 PolarHBondContact O-N 2.96Å
163L98.9Very high98.6Very high0 Ų020.9 Ų20.90%011%0.111CC..Hα-helixtrans-58.8-50.1179.7177.257.9000111.7L98 I139 L143 A159 L161 A165 V166 I167L98-L163 HydrophobicContact CD2-CD2 4.22Å; I139-L163 HydrophobicContact CD1-CD1 4.1Å; I139-L163 HydrophobicContact CG2-CD1 3.65Å; I139-L163 HydrophobicContact CG2-CD2 4.18Å; L143-L163 HydrophobicContact CD1-CD2 4.07Å; L143-L163 HydrophobicContact CD2-CD2 3.91Å; L143-L163 HydrophobicContact CG-CD2 4.37Å; A159-L163 WeakPolarHBondContact O-CB 3.47Å; A159-L163 PolarHBondContact O-N 3.28Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 2.97Å; L163-V166 PolarHBondContact O-N 3.07Å; L163-I167 HydrophobicContact CD1-CD1 4.19Å; L163-I167 HydrophobicContact CD1-CG1 3.77Å; L163-I167 HydrophobicContact CG-CG1 4.31Å; L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 3.07Å
164I98.6Very high98.6Very high1 Ų124 Ų241%0.00513%0.126CC..Hα-helixtrans-65.3-33.6-179.661.1166.3000113.1M22 D160 L161 V162 I167 D168 R189 L192 L199 L203M22-I164 HydrophobicContact CE-CD1 3.77Å; M22-I164 HydrophobicContact CE-CG1 4.03Å; M22-I164 HydrophobicContact SD-CD1 3.6Å; M22-I164 HydrophobicContact SD-CG1 3.8Å; D160-I164 PolarHBondContact O-N 3.15Å; L161-I164 VanDerWaalsContact O-CG1 3.28Å; L161-I164 WeakPolarHBondContact O-CG1 3.39Å; V162-I164 PolarHBondContact O-N 3.49Å; I164-I167 PolarHBondContact O-N 3.28Å; I164-D168 PolarHBondContact O-N 2.91Å; I164-R189 PolarHBondContact O-NH2 3.07Å; I164-L192 HydrophobicContact CD1-CD2 3.86Å; I164-L192 HydrophobicContact CG1-CD2 4.28Å; I164-L192 HydrophobicContact CG2-CD2 3.67Å; I164-L199 HydrophobicContact CD1-CD2 4Å; I164-L203 HydrophobicContact CD1-CD1 3.81Å
165A98.7Very high98.5Very high11 Ų1128.8 Ų28.89%0.09114%0.143CC..Hα-helixtrans-63.3-45176.900000111.3E18 M22 L161 V162 L163 D168 H169E18-A165 HydrophobicContact CB-CB 4.47Å; E18-A165 HydrophobicContact CG-CB 4.45Å; M22-A165 HydrophobicContact CE-CB 4.48Å; L161-A165 PolarHBondContact O-N 3.43Å; V162-A165 PolarHBondContact O-N 3.38Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 2.97Å; A165-D168 PolarHBondContact O-N 3.29Å; A165-H169 PolarHBondContact O-N 3.07Å
166V98.6Very high98.5Very high4 Ų424.5 Ų24.52%0.02413%0.134CC..Hα-helixtrans-68.8-40.5178.6170.80000111.8A102 V105 E106 V162 L163 D168 H169 V170A102-V166 HydrophobicContact CB-CB 4.46Å; A102-V166 HydrophobicContact CB-CG2 4.13Å; A102-V166 WeakPolarHBondContact O-CG1 3.48Å; V105-V166 HydrophobicContact CB-CG1 3.58Å; V105-V166 HydrophobicContact CG1-CG1 3.49Å; V105-V166 VanDerWaalsContact CG1-CG1 3.49Å; E106-V166 HydrophobicContact CB-CG2 3.96Å; V162-V166 HydrophobicContact CG1-CG2 4.35Å; V162-V166 WeakPolarHBondContact O-CG2 3.27Å; V162-V166 PolarHBondContact O-N 2.96Å; L163-V166 PolarHBondContact O-N 3.07Å; V166-D168 VanDerWaalsContact C-N 3.3Å; V166-D168 PolarHBondContact O-N 3.2Å; V166-H169 WeakPolarHBondContact O-CB 3.36Å; V166-H169 PolarHBondContact O-N 2.87Å; V166-V170 PolarHBondContact O-N 3.46Å
167I98.7Very high98.5Very high5 Ų524.1 Ų24.13%0.02613%0.131CC..Hα-helixtrans-64.5-37.5176.5-65.3-59.6000111.2L136 L163 I164 H169 V170 T171 L178 I185L136-I167 HydrophobicContact CD2-CD1 3.6Å; L163-I167 HydrophobicContact CD1-CD1 4.19Å; L163-I167 HydrophobicContact CD1-CG1 3.77Å; L163-I167 HydrophobicContact CG-CG1 4.31Å; L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 3.07Å; I164-I167 PolarHBondContact O-N 3.28Å; I167-H169 VanDerWaalsContact C-N 3.31Å; I167-H169 PolarHBondContact O-N 3.32Å; I167-V170 PolarHBondContact O-N 3.26Å; I167-T171 PolarHBondContact O-N 2.82Å; I167-T171 PolarHBondContact O-OG1 3.35Å; I167-L178 HydrophobicContact CG2-CD2 3.71Å; I167-I185 HydrophobicContact CD1-CD1 3.97Å; I167-I185 HydrophobicContact CD1-CG2 3.95Å; I167-I185 HydrophobicContact CG1-CG2 3.83Å; I167-I185 HydrophobicContact CG2-CG2 4.09Å
168D98.4Very high98.5Very high17 Ų1724.3 Ų24.39%0.09113%0.131CC..Hα-helixtrans-58-45.1173.3-68.8-6.1000110.4I164 A165 V166 V170 T171 D172 R189 R206I164-D168 PolarHBondContact O-N 2.91Å; A165-D168 PolarHBondContact O-N 3.29Å; V166-D168 VanDerWaalsContact C-N 3.3Å; V166-D168 PolarHBondContact O-N 3.2Å; D168-V170 PolarHBondContact O-N 3.17Å; D168-T171 WeakPolarHBondContact CA-OG1 3.47Å; D168-T171 CarbonylContact O-C 3.32Å; D168-T171 PolarHBondContact O-N 2.84Å; D168-T171 VanDerWaalsContact O-N 3.12Å; D168-T171 PolarHBondContact O-OG1 3.37Å; D168-D172 VanDerWaalsContact O-CG 3.3Å; D168-D172 PolarHBondContact O-N 3.01Å; D168-R189 IonicContact OD1-CZ 3.59Å; D168-R189 IonicContact OD1-NH1 2.71Å; D168-R189 PolarHBondContact OD1-NH1 2.97Å; D168-R189 IonicContact OD1-NH2 3.65Å; D168-R189 PolarHBondContact OD1-NH2 2.98Å; D168-R206 IonicContact OD2-CZ 3.72Å; D168-R206 IonicContact OD2-NH1 2.77Å; D168-R206 IonicContact OD2-NH2 2.96Å; D168-R206 PolarHBondContact OD2-NH2 3.38Å
169H98.6Very high98.4Very high3 Ų329.2 Ų29.21%0.01416%0.162CC..Hα-helixtrans-61.6-39.1176.3-70.2161.8000114R14 E106 Y109 A165 V166 I167 T171 D172 L173 F211R14-H169 PolarHBondContact NH1-CD2 2.74Å; R14-H169 VanDerWaalsContact NH1-CD2 3.28Å; E106-H169 VanDerWaalsContact CD-ND1 3.33Å; E106-H169 IonicContact OE1-CE1 2.74Å; E106-H169 PolarHBondContact OE1-CE1 2.66Å; E106-H169 IonicContact OE1-ND1 3.63Å; E106-H169 PolarHBondContact OE1-ND1 3.06Å; E106-H169 IonicContact OE2-CE1 2.66Å; E106-H169 IonicContact OE2-CG 2.73Å; E106-H169 IonicContact OE2-ND1 3.03Å; E106-H169 PolarHBondContact OE2-ND1 3.06Å; Y109-H169 HydrophobicContact CD1-CB 3.89Å; Y109-H169 AromaticContact CD1-CG 3.85Å; Y109-H169 AromaticContact CD1-ND1 3.69Å; Y109-H169 HydrophobicContact CD2-CB 3.67Å; Y109-H169 HydrophobicContact CE1-CB 3.95Å; Y109-H169 AromaticContact CE1-CD2 3.9Å; Y109-H169 AromaticContact CE1-CE1 3.92Å; Y109-H169 AromaticContact CE1-CG 3.57Å; Y109-H169 AromaticContact CE1-ND1 3.57Å; Y109-H169 HydrophobicContact CE2-CB 3.72Å; Y109-H169 HydrophobicContact CG-CB 3.75Å; Y109-H169 AromaticContact CZ-CD2 3.78Å; Y109-H169 AromaticContact CZ-CG 3.69Å; A165-H169 PolarHBondContact O-N 3.07Å; V166-H169 WeakPolarHBondContact O-CB 3.36Å; V166-H169 PolarHBondContact O-N 2.87Å; I167-H169 VanDerWaalsContact C-N 3.31Å; I167-H169 PolarHBondContact O-N 3.32Å; H169-T171 VanDerWaalsContact C-N 3.3Å; H169-T171 PolarHBondContact O-N 2.92Å; H169-D172 WeakPolarHBondContact CA-OD2 3.45Å; H169-D172 IonicContact CD2-OD2 3.34Å; H169-D172 WeakPolarHBondContact O-CB 3.35Å; H169-D172 PolarHBondContact O-N 3.31Å; H169-L173 PolarHBondContact O-N 2.89Å; H169-F211 PolarHBondContact NE2-OXT 2.75Å
170V98.6Very high98.4Very high3 Ų333.4 Ų33.42%0.01821%0.205CC..Hα-helixtrans-60.7-43.7173.2174.10000110.3V105 L128 V132 V166 I167 D168 D172 L173 D174 F177 L178V105-V170 HydrophobicContact CG1-CG2 3.56Å; L128-V170 HydrophobicContact CD2-CG1 4.33Å; V132-V170 HydrophobicContact CG1-CG1 4.27Å; V132-V170 HydrophobicContact CG1-CG2 4.3Å; V166-V170 PolarHBondContact O-N 3.46Å; I167-V170 PolarHBondContact O-N 3.26Å; D168-V170 PolarHBondContact O-N 3.17Å; V170-D172 VanDerWaalsContact C-N 3.29Å; V170-D172 PolarHBondContact O-N 3.43Å; V170-L173 WeakPolarHBondContact O-CB 3.26Å; V170-L173 PolarHBondContact O-N 2.94Å; V170-D174 PolarHBondContact O-N 3.37Å; V170-F177 HydrophobicContact CG1-CB 4.41Å; V170-F177 HydrophobicContact CG1-CD1 3.51Å; V170-F177 HydrophobicContact CG1-CE1 4.09Å; V170-F177 HydrophobicContact CG1-CG 4.17Å; V170-L178 HydrophobicContact CG1-CD1 4.03Å
171T98.2Very high98.4Very high41 Ų4139 Ų3925%0.25223%0.229SC..Hα-helixtrans-72.7-18.4178.757.70000114.4I167 D168 H169 L173 D174 K175 L178I167-T171 PolarHBondContact O-N 2.82Å; I167-T171 PolarHBondContact O-OG1 3.35Å; D168-T171 WeakPolarHBondContact CA-OG1 3.47Å; D168-T171 CarbonylContact O-C 3.32Å; D168-T171 PolarHBondContact O-N 2.84Å; D168-T171 VanDerWaalsContact O-N 3.12Å; D168-T171 PolarHBondContact O-OG1 3.37Å; H169-T171 VanDerWaalsContact C-N 3.3Å; H169-T171 PolarHBondContact O-N 2.92Å; T171-L173 VanDerWaalsContact C-N 3.33Å; T171-D174 CarbonylContact O-C 3.57Å; T171-K175 WeakPolarHBondContact O-CA 3.49Å; T171-K175 WeakPolarHBondContact O-CG 3.48Å; T171-K175 PolarHBondContact O-N 3.17Å; T171-L178 HydrophobicContact CG2-CD1 3.89Å
172D97.4Very high98.4Very high73 Ų7340.3 Ų40.339%0.3923%0.234SC..Hα-helixtrans-69.7-32.8169.5-66.5-45.9000112R14 D168 H169 V170R14-D172 IonicContact CZ-OD2 2.75Å; R14-D172 IonicContact NH1-OD2 2.75Å; R14-D172 PolarHBondContact NH1-OD2 2.94Å; R14-D172 VanDerWaalsContact NH2-CG 3.32Å; R14-D172 IonicContact NH2-OD1 2.64Å; R14-D172 PolarHBondContact NH2-OD1 3.43Å; R14-D172 IonicContact NH2-OD2 2.73Å; R14-D172 PolarHBondContact NH2-OD2 2.99Å; D168-D172 VanDerWaalsContact O-CG 3.3Å; D168-D172 PolarHBondContact O-N 3.01Å; H169-D172 WeakPolarHBondContact CA-OD2 3.45Å; H169-D172 IonicContact CD2-OD2 3.34Å; H169-D172 WeakPolarHBondContact O-CB 3.35Å; H169-D172 PolarHBondContact O-N 3.31Å; V170-D172 VanDerWaalsContact C-N 3.29Å; V170-D172 PolarHBondContact O-N 3.43Å
173L98Very high98.3Very high31 Ų3144.2 Ų44.216%0.16226%0.259CS..Hα-helixtrans-75.9-42.8176.3-62.2-174.9000112Y109 T112 T124 I127 L128 H169 V170 T171Y109-L173 HydrophobicContact CD2-CD1 3.86Å; Y109-L173 HydrophobicContact CD2-CD2 4.06Å; Y109-L173 HydrophobicContact CD2-CG 3.85Å; Y109-L173 HydrophobicContact CE2-CD2 4.05Å; Y109-L173 HydrophobicContact CE2-CG 4.17Å; T112-L173 HydrophobicContact CG2-CD1 3.93Å; T112-L173 HydrophobicContact CG2-CD2 4.04Å; T124-L173 HydrophobicContact CG2-CB 3.95Å; T124-L173 HydrophobicContact CG2-CD1 4.49Å; I127-L173 HydrophobicContact CD1-CD1 3.77Å; L128-L173 HydrophobicContact CD1-CB 4.27Å; H169-L173 PolarHBondContact O-N 2.89Å; V170-L173 WeakPolarHBondContact O-CB 3.26Å; V170-L173 PolarHBondContact O-N 2.94Å; T171-L173 VanDerWaalsContact C-N 3.33Å
174D98.2Very high98.3Very high70 Ų7046.7 Ų46.737%0.37427%0.271SS..  trans-146.9107.6174.5174.110.2000110.2L128 V170 T171 G176 F177L128-D174 HydrophobicContact CD1-CB 3.66Å; V170-D174 PolarHBondContact O-N 3.37Å; T171-D174 CarbonylContact O-C 3.57Å; D174-G176 PolarHBondContact O-N 3.47Å; D174-G176 VanDerWaalsContact O-N 3.14Å; D174-G176 PolarHBondContact OD1-N 2.93Å; D174-F177 HydrophobicContact CB-CB 4.01Å; D174-F177 VanDerWaalsContact O-CB 3.29Å; D174-F177 WeakPolarHBondContact O-CB 3.44Å; D174-F177 PolarHBondContact O-N 2.81Å; D174-F177 VanDerWaalsContact O-N 3.08Å
175K97.6Very high98.3Very high188 Ų18846.9 Ų46.982%0.81727%0.272SS*.THydrogen-bonded Turntrans-60.5-24.9-179.5-66.3-178.1179.3-179.80113.1T171T171-K175 WeakPolarHBondContact O-CA 3.49Å; T171-K175 WeakPolarHBondContact O-CG 3.48Å; T171-K175 PolarHBondContact O-N 3.17Å
176G97.9Very high98.3Very high34 Ų3450.8 Ų50.835%0.35129%0.288SS..THydrogen-bonded Turntrans-92.9-2.5-179.500000114D174 L178 T179D174-G176 PolarHBondContact O-N 3.47Å; D174-G176 VanDerWaalsContact O-N 3.14Å; D174-G176 PolarHBondContact OD1-N 2.93Å; G176-L178 VanDerWaalsContact C-N 3.27Å; G176-L178 PolarHBondContact O-N 3.44Å; G176-T179 WeakPolarHBondContact CA-OG1 3.45Å; G176-T179 WeakPolarHBondContact O-CB 3.36Å; G176-T179 PolarHBondContact O-N 3.46Å; G176-T179 PolarHBondContact O-OG1 3.26Å
177F98.5Very high98.3Very high17 Ų1755 Ų558%0.07531%0.306CS..THydrogen-bonded Turntrans-60-37.8-167.9-166.8-107.6000113.2L128 V132 P133 L136 V170 D174 Y182L128-F177 HydrophobicContact CB-CD2 4.28Å; L128-F177 HydrophobicContact CB-CE2 3.73Å; L128-F177 HydrophobicContact CB-CZ 4.31Å; L128-F177 HydrophobicContact CD1-CD2 4.19Å; L128-F177 HydrophobicContact CD1-CE2 4.47Å; L128-F177 HydrophobicContact CD2-CD1 4.41Å; L128-F177 HydrophobicContact CD2-CD2 4.03Å; L128-F177 HydrophobicContact CD2-CE1 4.25Å; L128-F177 HydrophobicContact CD2-CE2 3.88Å; L128-F177 HydrophobicContact CD2-CG 4.3Å; L128-F177 HydrophobicContact CD2-CZ 3.98Å; L128-F177 HydrophobicContact CG-CD2 4.4Å; L128-F177 HydrophobicContact CG-CE2 4.22Å; L128-F177 WeakPolarHBondContact O-CE2 3.47Å; L128-F177 WeakPolarHBondContact O-CZ 3.46Å; V132-F177 HydrophobicContact CG1-CE1 3.71Å; V132-F177 HydrophobicContact CG1-CZ 4.04Å; P133-F177 HydrophobicContact CG-CZ 4Å; L136-F177 HydrophobicContact CD1-CD1 4.09Å; L136-F177 HydrophobicContact CD1-CE1 3.64Å; V170-F177 HydrophobicContact CG1-CB 4.41Å; V170-F177 HydrophobicContact CG1-CD1 3.51Å; V170-F177 HydrophobicContact CG1-CE1 4.09Å; V170-F177 HydrophobicContact CG1-CG 4.17Å; D174-F177 HydrophobicContact CB-CB 4.01Å; D174-F177 VanDerWaalsContact O-CB 3.29Å; D174-F177 WeakPolarHBondContact O-CB 3.44Å; D174-F177 PolarHBondContact O-N 2.81Å; D174-F177 VanDerWaalsContact O-N 3.08Å; F177-Y182 HydrophobicContact CE1-CE2 4.39Å
178L98.5Very high98.4Very high9 Ų955 Ų555%0.04731%0.306CS..THydrogen-bonded Turntrans-92.2-3.4179-78.479.3000113.3I167 V170 T171 G176 G180 K181 Y182 I185 H186I167-L178 HydrophobicContact CG2-CD2 3.71Å; V170-L178 HydrophobicContact CG1-CD1 4.03Å; T171-L178 HydrophobicContact CG2-CD1 3.89Å; G176-L178 VanDerWaalsContact C-N 3.27Å; G176-L178 PolarHBondContact O-N 3.44Å; L178-G180 PolarHBondContact O-N 2.84Å; L178-G180 VanDerWaalsContact O-N 3.16Å; L178-K181 PolarHBondContact O-N 3.46Å; L178-K181 VanDerWaalsContact O-N 3.11Å; L178-K181 VanDerWaalsContact O-O 3.04Å; L178-Y182 HydrophobicContact CG-CD2 4.14Å; L178-I185 HydrophobicContact CD2-CB 4.47Å; L178-I185 HydrophobicContact CD2-CG2 3.83Å; L178-H186 PolarHBondContact O-NE2 2.94Å
179T98.3Very high98.4Very high103 Ų10357.3 Ų57.363%0.63231%0.314SS*.THydrogen-bonded Turntrans-63.6119-175.7-59.20000111G176 K181G176-T179 WeakPolarHBondContact CA-OG1 3.45Å; G176-T179 WeakPolarHBondContact O-CB 3.36Å; G176-T179 PolarHBondContact O-N 3.46Å; G176-T179 PolarHBondContact O-OG1 3.26Å; T179-K181 PolarHBondContact O-N 3.01Å
180G98Very high98.4Very high88 Ų8862.6 Ų62.691%0.90734%0.338SS*.THydrogen-bonded Turntrans69.712.3-178.900000114.8L178L178-G180 PolarHBondContact O-N 2.84Å; L178-G180 VanDerWaalsContact O-N 3.16Å
181K98.3Very high98.4Very high116 Ų11663.7 Ų63.750%0.50434%0.344SS..  trans-130.4165.2-178.2-60.2177.1-170.8169.30110.5L178 T179 H186L178-K181 PolarHBondContact O-N 3.46Å; L178-K181 VanDerWaalsContact O-N 3.11Å; L178-K181 VanDerWaalsContact O-O 3.04Å; T179-K181 PolarHBondContact O-N 3.01Å; K181-H186 PolarHBondContact O-CD2 2.98Å; K181-H186 PolarHBondContact O-NE2 2.81Å; K181-H186 VanDerWaalsContact O-NE2 3.08Å
182Y98.6Very high98.4Very high28 Ų2861.7 Ų61.711%0.1133%0.332CS..  trans51.755174.1-48.3-73.6000114.3L136 N137 F177 L178 E184 I185 H186L136-Y182 HydrophobicContact CB-CD1 4.01Å; L136-Y182 HydrophobicContact CB-CE1 3.58Å; L136-Y182 HydrophobicContact CD1-CD2 4.07Å; L136-Y182 HydrophobicContact CD1-CE1 4.2Å; L136-Y182 HydrophobicContact CD1-CE2 3.73Å; L136-Y182 HydrophobicContact CD1-CG 4.45Å; N137-Y182 WeakPolarHBondContact OD1-CE1 3.26Å; F177-Y182 HydrophobicContact CE1-CE2 4.39Å; L178-Y182 HydrophobicContact CG-CD2 4.14Å; Y182-E184 PolarHBondContact O-N 3.05Å; Y182-E184 VanDerWaalsContact O-N 3.13Å; Y182-I185 HydrophobicContact CD1-CD1 4.49Å; Y182-I185 HydrophobicContact CG-CD1 4.29Å; Y182-I185 PolarHBondContact O-N 2.84Å; Y182-H186 PolarHBondContact O-CD2 3.34Å; Y182-H186 VanDerWaalsContact O-CD2 3.32Å; Y182-H186 PolarHBondContact O-N 2.9Å
183P98.6Very high98.5Very high86 Ų8661 Ų6156%0.55833%0.328SS*.Hα-helixtrans-57.2-29.2-176.525-34.1000113.2H186 K187P183-H186 PolarHBondContact O-N 3.02Å; P183-K187 VanDerWaalsContact O-CB 3.3Å; P183-K187 WeakPolarHBondContact O-CB 3.47Å; P183-K187 PolarHBondContact O-N 3.34Å
184E98.7Very high98.5Very high53 Ų5363.5 Ų63.525%0.24835%0.353CS..Hα-helixtrans-64.2-38.8176.4-60.176.8-169.700112.2C140 L143 K144 Y182 K187 H188C140-E184 HydrophobicContact CB-CB 4.43Å; C140-E184 PolarHBondContact SG-OE2 3.37Å; L143-E184 HydrophobicContact CB-CB 4.34Å; L143-E184 HydrophobicContact CD1-CB 4.17Å; K144-E184 HydrophobicContact CD-CG 4.48Å; K144-E184 VanDerWaalsContact CE-CD 3.45Å; K144-E184 WeakPolarHBondContact CE-OE1 3.42Å; K144-E184 HydrophobicContact CG-CG 3.92Å; K144-E184 IonicContact NZ-OE1 2.73Å; Y182-E184 PolarHBondContact O-N 3.05Å; Y182-E184 VanDerWaalsContact O-N 3.13Å; E184-K187 PolarHBondContact O-N 3.47Å; E184-H188 VanDerWaalsContact O-CB 3.26Å; E184-H188 WeakPolarHBondContact O-CB 3.36Å; E184-H188 PolarHBondContact O-N 3.33Å
185I98.8Very high98.5Very high4 Ų463.1 Ų63.12%0.02136%0.355CS..Hα-helixtrans-70.9-41.3178.4-62.8178.4000110.4L136 I139 L143 I167 L178 Y182 K187 H188 R189L136-I185 HydrophobicContact CB-CD1 4.41Å; L136-I185 HydrophobicContact CD2-CD1 3.98Å; I139-I185 HydrophobicContact CG2-CD1 4.11Å; I139-I185 HydrophobicContact CG2-CG1 4.19Å; L143-I185 HydrophobicContact CD1-CG1 4.03Å; I167-I185 HydrophobicContact CD1-CD1 3.97Å; I167-I185 HydrophobicContact CD1-CG2 3.95Å; I167-I185 HydrophobicContact CG1-CG2 3.83Å; I167-I185 HydrophobicContact CG2-CG2 4.09Å; L178-I185 HydrophobicContact CD2-CB 4.47Å; L178-I185 HydrophobicContact CD2-CG2 3.83Å; Y182-I185 HydrophobicContact CD1-CD1 4.49Å; Y182-I185 HydrophobicContact CG-CD1 4.29Å; Y182-I185 PolarHBondContact O-N 2.84Å; I185-K187 VanDerWaalsContact C-N 3.34Å; I185-H188 PolarHBondContact O-N 3.5Å; I185-R189 PolarHBondContact O-N 3.43Å; I185-R189 VanDerWaalsContact O-N 3.13Å
186H98.7Very high98.5Very high94 Ų9454.5 Ų54.544%0.43532%0.319SS..Hα-helixtrans-60.6-46173.1-70.5-69.5000111.1L178 K181 Y182 P183 R189 E190L178-H186 PolarHBondContact O-NE2 2.94Å; K181-H186 PolarHBondContact O-CD2 2.98Å; K181-H186 PolarHBondContact O-NE2 2.81Å; K181-H186 VanDerWaalsContact O-NE2 3.08Å; Y182-H186 PolarHBondContact O-CD2 3.34Å; Y182-H186 VanDerWaalsContact O-CD2 3.32Å; Y182-H186 PolarHBondContact O-N 2.9Å; P183-H186 PolarHBondContact O-N 3.02Å; H186-R189 PolarHBondContact O-N 3Å; H186-E190 PolarHBondContact O-N 3.3Å
187K98.7Very high98.6Very high91 Ų9157.6 Ų57.640%0.39633%0.333SS..Hα-helixtrans-67.7-37.6-179.4-169.151.4167.8175.30112.3P183 E184 I185 E190 N191P183-K187 VanDerWaalsContact O-CB 3.3Å; P183-K187 WeakPolarHBondContact O-CB 3.47Å; P183-K187 PolarHBondContact O-N 3.34Å; E184-K187 PolarHBondContact O-N 3.47Å; I185-K187 VanDerWaalsContact C-N 3.34Å; K187-E190 VanDerWaalsContact CD-OE2 3.25Å; K187-E190 WeakPolarHBondContact CD-OE2 3.48Å; K187-E190 IonicContact NZ-OE1 3.06Å; K187-E190 PolarHBondContact NZ-OE1 2.9Å; K187-E190 IonicContact NZ-OE2 2.74Å; K187-E190 PolarHBondContact NZ-OE2 3.44Å; K187-E190 PolarHBondContact O-N 3.5Å; K187-N191 WeakPolarHBondContact CE-OD1 3.49Å; K187-N191 WeakPolarHBondContact O-CB 3.42Å; K187-N191 PolarHBondContact O-N 3.39Å; K187-N191 PolarHBondContact O-ND2 3.06Å
188H98.8Very high98.6Very high7 Ų763.8 Ų63.83%0.03236%0.356CS..Hα-helixtrans-55.7-51.8172.1167.7-94.9000111.3L143 D160 E184 I185 E190 N191 L192L143-H188 HydrophobicContact CD1-CB 4.01Å; L143-H188 HydrophobicContact CD2-CB 4.25Å; D160-H188 IonicContact OD1-CD2 3.36Å; D160-H188 IonicContact OD1-CE1 3.49Å; D160-H188 IonicContact OD1-NE2 2.86Å; D160-H188 PolarHBondContact OD1-NE2 3.24Å; E184-H188 VanDerWaalsContact O-CB 3.26Å; E184-H188 WeakPolarHBondContact O-CB 3.36Å; E184-H188 PolarHBondContact O-N 3.33Å; I185-H188 PolarHBondContact O-N 3.5Å; H188-E190 PolarHBondContact O-N 3.48Å; H188-N191 PolarHBondContact O-N 3.27Å; H188-L192 WeakPolarHBondContact O-CB 3.49Å; H188-L192 PolarHBondContact O-N 2.87Å
189R98.7Very high98.6Very high64 Ų6463.4 Ų63.424%0.24235%0.354CS..Hα-helixtrans-60.4-45.8178.6-175.4176.5-65.4-105.82111.6I164 D168 I185 H186 N191 L192 L193I164-R189 PolarHBondContact O-NH2 3.07Å; D168-R189 IonicContact OD1-CZ 3.59Å; D168-R189 IonicContact OD1-NH1 2.71Å; D168-R189 PolarHBondContact OD1-NH1 2.97Å; D168-R189 IonicContact OD1-NH2 3.65Å; D168-R189 PolarHBondContact OD1-NH2 2.98Å; I185-R189 PolarHBondContact O-N 3.43Å; I185-R189 VanDerWaalsContact O-N 3.13Å; H186-R189 PolarHBondContact O-N 3Å; R189-N191 PolarHBondContact O-N 3.49Å; R189-L192 PolarHBondContact O-N 3.03Å; R189-L193 HydrophobicContact CG-CD1 4.31Å; R189-L193 HydrophobicContact CG-CG 4.45Å; R189-L193 WeakPolarHBondContact O-CG 3.49Å; R189-L193 PolarHBondContact O-N 3.47Å
190E98.7Very high98.6Very high115 Ų11560 Ų6054%0.53734%0.336SS..Hα-helixtrans-56-51.2176.5-171.6-161146.600111.4H186 K187 H188 L192 L193 A194H186-E190 PolarHBondContact O-N 3.3Å; K187-E190 VanDerWaalsContact CD-OE2 3.25Å; K187-E190 WeakPolarHBondContact CD-OE2 3.48Å; K187-E190 IonicContact NZ-OE1 3.06Å; K187-E190 PolarHBondContact NZ-OE1 2.9Å; K187-E190 IonicContact NZ-OE2 2.74Å; K187-E190 PolarHBondContact NZ-OE2 3.44Å; K187-E190 PolarHBondContact O-N 3.5Å; H188-E190 PolarHBondContact O-N 3.48Å; E190-L192 PolarHBondContact O-N 3.5Å; E190-L193 PolarHBondContact O-N 3.05Å; E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 3.01Å
191N98.8Very high98.6Very high25 Ų2563 Ų6313%0.13432%0.324CS..Hα-helixtrans-63.1-41179.9-67.6-16.8000111.6K149 L150 K187 H188 R189 A194 S195K149-N191 HydrophobicContact CB-CB 4.29Å; K149-N191 WeakPolarHBondContact O-CB 3.48Å; K149-N191 PolarHBondContact O-ND2 2.82Å; L150-N191 HydrophobicContact CD2-CB 3.88Å; K187-N191 WeakPolarHBondContact CE-OD1 3.49Å; K187-N191 WeakPolarHBondContact O-CB 3.42Å; K187-N191 PolarHBondContact O-N 3.39Å; K187-N191 PolarHBondContact O-ND2 3.06Å; H188-N191 PolarHBondContact O-N 3.27Å; R189-N191 PolarHBondContact O-N 3.49Å; N191-A194 PolarHBondContact O-N 3.46Å; N191-S195 WeakPolarHBondContact O-CB 3.42Å; N191-S195 PolarHBondContact O-N 2.87Å; N191-S195 PolarHBondContact O-OG 3.26Å; N191-S195 VanDerWaalsContact O-OG 3.07Å
192L98.8Very high98.6Very high0 Ų059.1 Ų59.10%031%0.307CS..Hα-helixtrans-62.4-45.5179.3176.660.7000112.1L150 V156 D160 I164 H188 R189 E190 A194 S195 S196 L199L150-L192 HydrophobicContact CD2-CB 4.11Å; V156-L192 HydrophobicContact CG1-CD1 3.91Å; V156-L192 HydrophobicContact CG2-CD1 3.92Å; D160-L192 HydrophobicContact CB-CD1 3.82Å; D160-L192 HydrophobicContact CB-CD2 4.01Å; D160-L192 HydrophobicContact CB-CG 4.5Å; I164-L192 HydrophobicContact CD1-CD2 3.86Å; I164-L192 HydrophobicContact CG1-CD2 4.28Å; I164-L192 HydrophobicContact CG2-CD2 3.67Å; H188-L192 WeakPolarHBondContact O-CB 3.49Å; H188-L192 PolarHBondContact O-N 2.87Å; R189-L192 PolarHBondContact O-N 3.03Å; E190-L192 PolarHBondContact O-N 3.5Å; L192-A194 VanDerWaalsContact C-N 3.32Å; L192-S195 PolarHBondContact O-N 2.85Å; L192-S196 PolarHBondContact O-N 3.39Å; L192-L199 HydrophobicContact CD1-CD2 4.01Å; L192-L199 HydrophobicContact CD2-CD2 3.78Å; L192-L199 HydrophobicContact CG-CD2 3.82Å
193L98.6Very high98.6Very high59 Ų5959.3 Ų59.331%0.30931%0.309SS..Hα-helixtrans-68.5-33.7178.5-60.4-174.2000111.8R189 E190 A200 L203R189-L193 HydrophobicContact CG-CD1 4.31Å; R189-L193 HydrophobicContact CG-CG 4.45Å; R189-L193 WeakPolarHBondContact O-CG 3.49Å; R189-L193 PolarHBondContact O-N 3.47Å; E190-L193 PolarHBondContact O-N 3.05Å; L193-A200 HydrophobicContact CB-CB 4.25Å; L193-A200 HydrophobicContact CD2-CB 4.4Å; L193-L203 HydrophobicContact CD2-CD1 3.56Å
194A98.5Very high98.5Very high82 Ų8259.5 Ų59.568%0.67831%0.313SS*.Hα-helixtrans-67.4-38.6172.500000112.3E190 N191 L192E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 3.01Å; N191-A194 PolarHBondContact O-N 3.46Å; L192-A194 VanDerWaalsContact C-N 3.32Å
195S98.3Very high98.5Very high62 Ų6262.4 Ų62.443%0.43433%0.33SS..Hα-helixtrans-77.8-21.3-179.8-67.30000114N191 L192N191-S195 WeakPolarHBondContact O-CB 3.42Å; N191-S195 PolarHBondContact O-N 2.87Å; N191-S195 PolarHBondContact O-OG 3.26Å; N191-S195 VanDerWaalsContact O-OG 3.07Å; L192-S195 PolarHBondContact O-N 2.85Å
196S98.4Very high98.3Very high8 Ų864.5 Ų64.56%0.05634%0.338CS..  trans-131.290-178.5-172.50000112.8L192 R198 L199 A200L192-S196 PolarHBondContact O-N 3.39Å; S196-R198 PolarHBondContact O-N 2.89Å; S196-L199 PolarHBondContact O-N 3.14Å; S196-L199 WeakPolarHBondContact OG-CB 3.48Å; S196-L199 PolarHBondContact OG-N 3.21Å; S196-A200 PolarHBondContact O-N 3.1Å
197P98.3Very high98.1Very high98 Ų9863.3 Ų63.364%0.63634%0.338SS*.Hα-helixtrans-57.8-32175.5-26.334.7000113.6K201P197-K201 WeakPolarHBondContact O-CB 3.03Å; P197-K201 PolarHBondContact O-N 2.82Å
198R98.5Very high98Very high148 Ų14864.1 Ų64.156%0.55836%0.362SS*.Hα-helixtrans-63.1-46.3175.3-64.9-173-171.51034.2111.1V25 A26 S196 K201 Y202V25-R198 HydrophobicContact CG1-CB 4.08Å; V25-R198 WeakPolarHBondContact O-CB 3.47Å; V25-R198 WeakPolarHBondContact O-CD 3.47Å; A26-R198 PolarHBondContact O-NH1 3.06Å; S196-R198 PolarHBondContact O-N 2.89Å; R198-K201 PolarHBondContact O-N 2.83Å; R198-Y202 WeakPolarHBondContact O-CB 3.47Å; R198-Y202 PolarHBondContact O-N 3.42Å
199L98.4Very high97.8Very high0 Ų064.6 Ų64.60%037%0.366CS..Hα-helixtrans-70.1-40.3-179.8-165.767.9000111.3M22 V25 L161 I164 L192 S196 K201 Y202 L203M22-L199 HydrophobicContact CB-CD1 3.95Å; M22-L199 HydrophobicContact CG-CD1 3.89Å; M22-L199 HydrophobicContact SD-CD1 4.48Å; V25-L199 HydrophobicContact CG1-CD1 4.3Å; L161-L199 HydrophobicContact CD2-CD1 4.33Å; L161-L199 HydrophobicContact CD2-CD2 3.63Å; I164-L199 HydrophobicContact CD1-CD2 4Å; L192-L199 HydrophobicContact CD1-CD2 4.01Å; L192-L199 HydrophobicContact CD2-CD2 3.78Å; L192-L199 HydrophobicContact CG-CD2 3.82Å; S196-L199 PolarHBondContact O-N 3.14Å; S196-L199 WeakPolarHBondContact OG-CB 3.48Å; S196-L199 PolarHBondContact OG-N 3.21Å; L199-K201 PolarHBondContact O-N 3.16Å; L199-Y202 HydrophobicContact CD1-CD1 4.22Å; L199-Y202 PolarHBondContact O-N 3.44Å; L199-L203 HydrophobicContact CD1-CD1 4.47Å; L199-L203 HydrophobicContact CD2-CD1 4.48Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.37Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.32Å
200A98.5Very high97.5Very high32 Ų3266.7 Ų66.726%0.26439%0.387SS..Hα-helixtrans-57.3-48173.400000112L193 S196 S204L193-A200 HydrophobicContact CB-CB 4.25Å; L193-A200 HydrophobicContact CD2-CB 4.4Å; S196-A200 PolarHBondContact O-N 3.1Å; A200-S204 WeakPolarHBondContact O-CB 3.5Å; A200-S204 PolarHBondContact O-N 3.09Å; A200-S204 VanDerWaalsContact O-N 3.07Å; A200-S204 PolarHBondContact O-OG 2.77Å
201K98.6Very high97.1Very high150 Ų15063 Ų6365%0.65237%0.369SS*.Hα-helixtrans-63.6-40.9175.8-177.1-179178-175.90112.3P197 R198 L199 S204 N205P197-K201 WeakPolarHBondContact O-CB 3.03Å; P197-K201 PolarHBondContact O-N 2.82Å; R198-K201 PolarHBondContact O-N 2.83Å; L199-K201 PolarHBondContact O-N 3.16Å; K201-S204 PolarHBondContact O-OG 3.29Å; K201-S204 VanDerWaalsContact O-OG 3.1Å; K201-N205 PolarHBondContact O-N 3.11Å; K201-N205 PolarHBondContact O-ND2 2.81Å
202Y98.5Very high97Very high36 Ų3664.9 Ų64.914%0.14138%0.381CS..Hα-helixtrans-62.5-51.5178167-104.3000110.9E18 R21 M22 V25 R198 L199 S204 N205 R206E18-Y202 WeakPolarHBondContact OE1-CE1 3.33Å; E18-Y202 PolarHBondContact OE1-OH 3.07Å; E18-Y202 PolarHBondContact OE2-OH 2.79Å; R21-Y202 WeakPolarHBondContact CD-OH 3.44Å; M22-Y202 HydrophobicContact CG-CD1 4.49Å; M22-Y202 HydrophobicContact CG-CE1 3.97Å; V25-Y202 HydrophobicContact CB-CG 4.5Å; V25-Y202 HydrophobicContact CG1-CG 4.07Å; V25-Y202 HydrophobicContact CG2-CD1 4.47Å; V25-Y202 HydrophobicContact CG2-CD2 3.79Å; V25-Y202 HydrophobicContact CG2-CE2 4.28Å; V25-Y202 HydrophobicContact CG2-CG 3.91Å; R198-Y202 WeakPolarHBondContact O-CB 3.47Å; R198-Y202 PolarHBondContact O-N 3.42Å; L199-Y202 HydrophobicContact CD1-CD1 4.22Å; L199-Y202 PolarHBondContact O-N 3.44Å; Y202-S204 VanDerWaalsContact C-N 3.32Å; Y202-S204 PolarHBondContact O-N 3.23Å; Y202-N205 CarbonylContact O-C 3.52Å; Y202-N205 PolarHBondContact O-N 3.16Å; Y202-N205 VanDerWaalsContact O-N 3.13Å; Y202-R206 WeakPolarHBondContact O-CB 2.96Å; Y202-R206 PolarHBondContact O-N 3Å
203L98Very high97Very high32 Ų3268.3 Ų68.317%0.16840%0.401CS..Hα-helixtrans-65.9-33.3-176.5-67.2170.5000112.8M22 I164 L193 L199 N205M22-L203 HydrophobicContact CE-CD2 3.66Å; I164-L203 HydrophobicContact CD1-CD1 3.81Å; L193-L203 HydrophobicContact CD2-CD1 3.56Å; L199-L203 HydrophobicContact CD1-CD1 4.47Å; L199-L203 HydrophobicContact CD2-CD1 4.48Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.37Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.32Å; L203-N205 VanDerWaalsContact C-N 3.29Å; L203-N205 PolarHBondContact O-N 2.56Å
204S97.6Very high96.9Very high90 Ų9068.8 Ų68.863%0.62941%0.406SS*.Hα-helixtrans-70.4-24.4175.974.30000113.5A200 K201 Y202A200-S204 WeakPolarHBondContact O-CB 3.5Å; A200-S204 PolarHBondContact O-N 3.09Å; A200-S204 VanDerWaalsContact O-N 3.07Å; A200-S204 PolarHBondContact O-OG 2.77Å; K201-S204 PolarHBondContact O-OG 3.29Å; K201-S204 VanDerWaalsContact O-OG 3.1Å; Y202-S204 VanDerWaalsContact C-N 3.32Å; Y202-S204 PolarHBondContact O-N 3.23Å
205N97.4Very high96.8Very high114 Ų11468 Ų6861%0.6139%0.39SS*.Hα-helixtrans-105.6-4.7-178.7-65.7-50.1000113.1K201 Y202 L203K201-N205 PolarHBondContact O-N 3.11Å; K201-N205 PolarHBondContact O-ND2 2.81Å; Y202-N205 CarbonylContact O-C 3.52Å; Y202-N205 PolarHBondContact O-N 3.16Å; Y202-N205 VanDerWaalsContact O-N 3.13Å; L203-N205 VanDerWaalsContact C-N 3.29Å; L203-N205 PolarHBondContact O-N 2.56Å
206R95.1Very high96.7Very high47 Ų4768.4 Ų68.418%0.17739%0.388CS..SBendtrans-65.2133-176.7-173.8177.665.7180-1.4109.8E18 M22 D168 Y202E18-R206 WeakPolarHBondContact OE1-CD 3.05Å; E18-R206 IonicContact OE1-CZ 3.91Å; E18-R206 IonicContact OE1-NE 3.32Å; E18-R206 IonicContact OE1-NH1 2.76Å; E18-R206 PolarHBondContact OE1-NH1 2.9Å; M22-R206 VanDerWaalsContact CE-NH1 3.3Å; D168-R206 IonicContact OD2-CZ 3.72Å; D168-R206 IonicContact OD2-NH1 2.77Å; D168-R206 IonicContact OD2-NH2 2.96Å; D168-R206 PolarHBondContact OD2-NH2 3.38Å; Y202-R206 WeakPolarHBondContact O-CB 2.96Å; Y202-R206 PolarHBondContact O-N 3Å
207P95.6Very high96.6Very high69 Ų6972.4 Ų72.445%0.44841%0.41SS..PPolyproline II helixtrans-62.2141.2176.725.7-34.4000111.4T209P207-T209 PolarHBondContact O-N 2.83Å
208A95.8Very high96.4Very high108 Ų10870.6 Ų70.689%0.89339%0.394SS*.PPolyproline II helixtrans-69126.1172.800000109.8
209T95.5Very high96.3Very high18 Ų1864.6 Ų64.611%0.1138%0.381CS..  trans-135.9146.4-17641.50000110.4R14 P207 F211R14-T209 PolarHBondContact NH2-O 3.3Å; R14-T209 VanDerWaalsContact NH2-O 3.15Å; P207-T209 PolarHBondContact O-N 2.83Å; T209-F211 PolarHBondContact O-N 3.03Å; T209-F211 PolarHBondContact OG1-O 3.07Å
210P90.9Very high96.1Very high108 Ų10870 Ų7070%0.70141%0.413SS*.  trans-72.3-10.2-171.527.4-33.5000114.7
211F91.7Very high95.9Very high36 Ų3673.5 Ų73.516%0.15843%0.426CS..  trans-154.60175.963-90.6000108.9Y10 F11 R14 G15 F38 Y109 H169 T209Y10-F211 HydrophobicContact CE1-CE2 4.34Å; F11-F211 HydrophobicContact CB-CE2 4.34Å; F11-F211 HydrophobicContact CB-CZ 4.06Å; R14-F211 PolarHBondContact N-O 2.94Å; R14-F211 PolarHBondContact NE-O 2.94Å; G15-F211 WeakPolarHBondContact CA-OXT 3.14Å; G15-F211 PolarHBondContact N-OXT 3.07Å; F38-F211 HydrophobicContact CE2-CE1 4.12Å; F38-F211 HydrophobicContact CE2-CZ 4.35Å; F38-F211 AromaticContact CZ-CE1 3.95Å; F38-F211 HydrophobicContact CZ-CE1 3.95Å; F38-F211 AromaticContact CZ-CZ 3.94Å; F38-F211 HydrophobicContact CZ-CZ 3.94Å; Y109-F211 WeakPolarHBondContact OH-CB 3.37Å; H169-F211 PolarHBondContact NE2-OXT 2.75Å; T209-F211 PolarHBondContact O-N 3.03Å; T209-F211 PolarHBondContact OG1-O 3.07Å

Retrieved 211 of 211 residues in 116 ms (Link to these results)

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