A0A5K4FAQ2_SCHMA Loading...

Glutathione transferase

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 A0A5K4FAQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, 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
1M38.3Very low86.4Confident238 Ų23858.9 Ų58.9100%1.17233%0.329SS*.  0126.70-69-162.6-72.500106G3M1-G3 PolarHBondContact O-N 2.85Å
2A50.8Low87.1Confident81 Ų8161.2 Ų61.267%0.66934%0.34SS*.  trans-58.4134.2169.500000107.2D61A2-D61 HydrophobicContact CB-CB 4.39Å; A2-D61 WeakPolarHBondContact CB-OD1 3.36Å; A2-D61 WeakPolarHBondContact CB-OD2 3.42Å
3G82.2Confident87.7Confident48 Ų4856.5 Ų56.550%0.49531%0.313SS..  trans-151149.1-160.400000109.8M1 H5 D61M1-G3 PolarHBondContact O-N 2.85Å; G3-H5 PolarHBondContact O-N 3.3Å; G3-D61 PolarHBondContact N-OD1 3.16Å; G3-D61 PolarHBondContact N-OD2 2.89Å
4E91.8Very high88.3Confident90 Ų9053.6 Ų53.642%0.42130%0.295SS..  trans-52.7129.2-178.7-61.6174.1142.900111.3I6 V58 T59 K81E4-I6 PolarHBondContact O-N 3.4Å; E4-V58 HydrophobicContact CB-CG1 3.76Å; E4-V58 HydrophobicContact CG-CG1 4.11Å; E4-T59 CarbonylContact C-O 3.58Å; E4-T59 WeakPolarHBondContact CA-O 3.43Å; E4-K81 IonicContact OE2-NZ 3.91Å; E4-K81 PolarHBondContact OE2-NZ 3.34Å
5H97.2Very high88.8Confident91 Ų9150.6 Ų50.642%0.42128%0.282SS..EExtended strand (participates in β ladder)trans-84.4111.8169.6179.8-94.2000109.6G3 E32 V58 T59G3-H5 PolarHBondContact O-N 3.3Å; H5-E32 IonicContact CE1-OE2 3.99Å; H5-E32 PolarHBondContact CE1-OE2 2.79Å; H5-E32 IonicContact NE2-OE2 2.87Å; H5-V58 WeakPolarHBondContact O-CA 3.35Å; H5-T59 PolarHBondContact N-O 3.32Å; H5-T59 PolarHBondContact O-N 3.22Å
6I98.4Very high89.3Confident7 Ų752.6 Ų52.64%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-99.3125.8-179.6-58.6176.7000109.5E4 V8 L24 V29 Y31 E32 V56 V58 M78E4-I6 PolarHBondContact O-N 3.4Å; I6-V8 HydrophobicContact CG2-CG2 4.43Å; I6-L24 HydrophobicContact CD1-CD2 4.01Å; I6-L24 HydrophobicContact CG2-CD1 4.06Å; I6-V29 HydrophobicContact CD1-CG1 3.75Å; I6-Y31 CarbonylContact O-C 3.28Å; I6-Y31 VanDerWaalsContact O-CA 3.26Å; I6-Y31 WeakPolarHBondContact O-CA 3.43Å; I6-Y31 WeakPolarHBondContact O-CB 3.45Å; I6-E32 PolarHBondContact O-N 3.44Å; I6-V56 HydrophobicContact CG2-CG1 3.84Å; I6-V58 HydrophobicContact CG1-CG1 4.38Å; I6-V58 HydrophobicContact CG1-CG2 4.41Å; I6-M78 HydrophobicContact CD1-CE 4.4Å
7K98.6Very high89.9Confident35 Ų3549.5 Ų49.515%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-120.4117.3174.6173.4-174.1-76.2-1040109.6I9 E32 E34 V56 K57K7-I9 HydrophobicContact CD-CD1 4.06Å; K7-I9 HydrophobicContact CD-CG1 4.13Å; K7-I9 HydrophobicContact CG-CD1 4.28Å; K7-I9 HydrophobicContact CG-CG1 3.82Å; K7-E32 CarbonylContact C-O 3.57Å; K7-E32 WeakPolarHBondContact CA-O 3.39Å; K7-E32 HydrophobicContact CB-CB 4.32Å; K7-E32 VanDerWaalsContact CE-CD 3.49Å; K7-E32 WeakPolarHBondContact CE-OE2 3.42Å; K7-E32 HydrophobicContact CG-CB 4.44Å; K7-E32 IonicContact NZ-OE1 2.69Å; K7-E32 PolarHBondContact NZ-OE1 2.83Å; K7-E32 IonicContact NZ-OE2 3.98Å; K7-E32 PolarHBondContact NZ-OE2 2.88Å; K7-E34 WeakPolarHBondContact CD-OE2 3.26Å; K7-E34 WeakPolarHBondContact CE-OE2 3.31Å; K7-E34 HydrophobicContact CG-CB 4.14Å; K7-E34 IonicContact NZ-OE2 2.92Å; K7-E34 PolarHBondContact NZ-OE2 2.86Å; K7-V56 WeakPolarHBondContact O-CA 3.46Å; K7-K57 HydrophobicContact CB-CB 4.36Å; K7-K57 PolarHBondContact N-O 3.32Å; K7-K57 PolarHBondContact O-N 3.37Å
8V98.8Very high90.3Very high0 Ų046.8 Ų46.80%025%0.252CS..EExtended strand (participates in β ladder)trans-94.2113.9176.7-178.30000108.1I6 A17 I20 R21 L24 Y31 E32 E34 V56I6-V8 HydrophobicContact CG2-CG2 4.43Å; V8-A17 HydrophobicContact CG1-CB 4.32Å; V8-I20 HydrophobicContact CG1-CG2 4.41Å; V8-I20 HydrophobicContact CG2-CG2 4Å; V8-R21 HydrophobicContact CG1-CG 4.41Å; V8-L24 HydrophobicContact CG2-CD1 3.69Å; V8-Y31 HydrophobicContact CB-CD2 4.08Å; V8-Y31 HydrophobicContact CB-CE2 4.37Å; V8-Y31 HydrophobicContact CG2-CD2 3.62Å; V8-Y31 HydrophobicContact CG2-CE2 4.15Å; V8-Y31 HydrophobicContact CG2-CG 4.29Å; V8-E32 PolarHBondContact N-O 3.44Å; V8-E34 PolarHBondContact O-N 2.98Å; V8-V56 HydrophobicContact CB-CG2 4.5Å; V8-V56 HydrophobicContact CG1-CG2 4.43Å; V8-V56 HydrophobicContact CG2-CG2 4.14Å
9I98.7Very high90.8Very high4 Ų444.8 Ų44.82%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-106.4117.9-175.9-47.4179.5000108.7K7 E34 I36 I48 L53 P54 A55 W67K7-I9 HydrophobicContact CD-CD1 4.06Å; K7-I9 HydrophobicContact CD-CG1 4.13Å; K7-I9 HydrophobicContact CG-CD1 4.28Å; K7-I9 HydrophobicContact CG-CG1 3.82Å; I9-E34 WeakPolarHBondContact CA-O 3.43Å; I9-E34 HydrophobicContact CG1-CB 4.23Å; I9-I36 HydrophobicContact CG2-CD1 4.11Å; I9-I36 HydrophobicContact CG2-CG1 3.78Å; I9-I48 HydrophobicContact CD1-CD1 4.08Å; I9-I48 HydrophobicContact CG2-CD1 4.39Å; I9-L53 HydrophobicContact CB-CD2 4.3Å; I9-L53 HydrophobicContact CG2-CD2 3.87Å; I9-P54 WeakPolarHBondContact O-CA 3.31Å; I9-A55 WeakPolarHBondContact CA-O 3.29Å; I9-A55 WeakPolarHBondContact CB-O 3.34Å; I9-A55 PolarHBondContact N-O 2.98Å; I9-A55 PolarHBondContact O-N 3.31Å; I9-W67 HydrophobicContact CD1-CH2 3.83Å; I9-W67 HydrophobicContact CD1-CZ3 3.76Å
10Y98.5Very high91.2Very high20 Ų2042.6 Ų42.68%0.07823%0.23CC..EExtended strand (participates in β ladder)trans-151.4172.3177-162.9-128.8000111.9R14 R16 A17 E34 R35 I36 L53 P54 F211Y10-R14 WeakPolarHBondContact CE1-O 3.48Å; Y10-R16 HydrophobicContact CE2-CB 4.38Å; Y10-R16 PolarHBondContact OH-N 3.43Å; Y10-R16 VanDerWaalsContact OH-N 3.07Å; Y10-A17 HydrophobicContact CD1-CB 3.45Å; Y10-A17 VanDerWaalsContact CD1-CB 3.45Å; Y10-A17 HydrophobicContact CD2-CB 4.14Å; Y10-A17 HydrophobicContact CE1-CB 4.14Å; Y10-A17 HydrophobicContact CG-CB 3.45Å; Y10-A17 VanDerWaalsContact CG-CB 3.45Å; Y10-E34 PolarHBondContact N-O 3.28Å; Y10-E34 VanDerWaalsContact N-O 3.08Å; Y10-R35 CarbonylContact O-C 3.55Å; Y10-R35 WeakPolarHBondContact O-CA 3.35Å; Y10-I36 PolarHBondContact O-N 3.29Å; Y10-L53 HydrophobicContact CD2-CB 3.78Å; Y10-L53 HydrophobicContact CE2-CB 4.2Å; Y10-P54 HydrophobicContact CD2-CB 3.55Å; Y10-P54 HydrophobicContact CD2-CG 4.14Å; Y10-P54 HydrophobicContact CE2-CB 4.16Å; Y10-P54 HydrophobicContact CE2-CG 4.25Å; Y10-P54 HydrophobicContact CG-CB 4.18Å; Y10-F211 HydrophobicContact CE1-CE2 4.1Å
11F97.2Very high91.5Very high34 Ų3440.5 Ų40.515%0.14922%0.219CC..EExtended strand (participates in β ladder)trans-62.5162.1165.8-65-65.9000110.8G13 I36 F38 W41 L53 F211F11-G13 PolarHBondContact O-N 3.08Å; F11-I36 WeakPolarHBondContact CA-O 3.42Å; F11-F38 HydrophobicContact CD1-CD1 4.37Å; F11-F38 HydrophobicContact CD1-CE1 4.25Å; F11-F38 HydrophobicContact CE1-CD1 4.18Å; F11-F38 HydrophobicContact CE1-CE1 4.21Å; F11-W41 HydrophobicContact CE1-CB 3.86Å; F11-W41 AromaticContact CE1-CD1 3.91Å; F11-W41 AromaticContact CE1-CD2 3.98Å; F11-W41 HydrophobicContact CE1-CD2 3.98Å; F11-W41 AromaticContact CE1-CG 3.63Å; F11-W41 HydrophobicContact CE1-CG 3.63Å; F11-W41 AromaticContact CZ-CD1 3.79Å; F11-W41 AromaticContact CZ-CD2 3.97Å; F11-W41 HydrophobicContact CZ-CD2 3.97Å; F11-W41 AromaticContact CZ-CE2 3.97Å; F11-W41 AromaticContact CZ-CG 3.87Å; F11-W41 HydrophobicContact CZ-CG 3.87Å; F11-W41 AromaticContact CZ-NE1 3.81Å; F11-L53 HydrophobicContact CD1-CD1 4.48Å; F11-L53 HydrophobicContact CD2-CD1 4.46Å; F11-L53 HydrophobicContact CE1-CD1 4.35Å; F11-L53 HydrophobicContact CE2-CB 4.47Å; F11-L53 HydrophobicContact CE2-CD1 4.34Å; F11-L53 HydrophobicContact CZ-CD1 4.28Å; F11-F211 HydrophobicContact CB-CZ 4.09Å
12D95.4Very high94.4Very high86 Ų8629.2 Ų29.246%0.4616%0.163SC..SBendtrans-69.975.8172.5-170.819.1000111.7R35 I36D12-R35 HydrophobicContact CB-CB 4.21Å; D12-R35 VanDerWaalsContact OD1-CD 3.31Å; D12-R35 WeakPolarHBondContact OD1-CD 3.37Å; D12-R35 IonicContact OD1-CZ 3.81Å; D12-R35 IonicContact OD1-NE 3.72Å; D12-R35 IonicContact OD1-NH1 3.85Å; D12-R35 PolarHBondContact OD1-NH1 3.44Å; D12-I36 PolarHBondContact N-O 2.85Å
13G94.2Very high96.7Very high0 Ų025.3 Ų25.30%013%0.132CC..SBendtrans-160.4163.2-177.100000111.1F11 R21 F211F11-G13 PolarHBondContact O-N 3.08Å; G13-R21 PolarHBondContact O-NH1 3.33Å; G13-R21 PolarHBondContact O-NH2 2.96Å; G13-R21 VanDerWaalsContact O-NH2 3.14Å; G13-F211 WeakPolarHBondContact CA-O 3.47Å
14R96Very high97.5Very high16 Ų1623 Ų236%0.0611%0.108CC..SBendtrans-66.6-71.6164.3-69.6167-74.1145.9-7.3107.2Y10 A17 E18 R21 D168 H169 D172 T209 F211Y10-R14 WeakPolarHBondContact CE1-O 3.48Å; R14-A17 PolarHBondContact O-N 3.48Å; R14-E18 HydrophobicContact CB-CB 3.94Å; R14-E18 HydrophobicContact CB-CG 3.88Å; R14-E18 HydrophobicContact CG-CG 4.11Å; R14-E18 PolarHBondContact O-N 2.87Å; R14-R21 PolarHBondContact O-NH1 3.17Å; R14-D168 VanDerWaalsContact NH1-CB 3.34Å; R14-H169 PolarHBondContact NH1-CD2 2.9Å; R14-D172 IonicContact CZ-OD2 2.8Å; R14-D172 IonicContact NH1-OD2 2.97Å; R14-D172 PolarHBondContact NH1-OD2 3.01Å; R14-D172 VanDerWaalsContact NH2-CG 3.34Å; R14-D172 IonicContact NH2-OD1 3.41Å; R14-D172 PolarHBondContact NH2-OD1 2.97Å; R14-D172 IonicContact NH2-OD2 3.19Å; R14-D172 PolarHBondContact NH2-OD2 2.83Å; R14-T209 PolarHBondContact N-OG1 3.45Å; R14-F211 WeakPolarHBondContact CB-OXT 3.4Å; R14-F211 PolarHBondContact N-O 3.4Å
15G95.8Very high97.8Very high9 Ų919.8 Ų19.89%0.0939%0.094CC..G310 helixtrans38.5-142.2177.900000114A17 E18 F211G15-A17 PolarHBondContact O-N 3.14Å; G15-E18 PolarHBondContact O-N 2.93Å; G15-F211 PolarHBondContact N-OXT 3.15Å
16R97.9Very high97.9Very high82 Ų8216.1 Ų16.131%0.3098%0.079SC..G310 helixtrans-69.4-15.5-174.3-69.6-176.7177-94.4-1.2114.7Y10 P54 S71 H110Y10-R16 HydrophobicContact CE2-CB 4.38Å; Y10-R16 PolarHBondContact OH-N 3.43Å; Y10-R16 VanDerWaalsContact OH-N 3.07Å; R16-P54 HydrophobicContact CB-CG 4.17Å; R16-S71 WeakPolarHBondContact O-CB 3.35Å; R16-H110 VanDerWaalsContact CZ-CE1 3.45Å; R16-H110 PolarHBondContact NH2-CE1 3.48Å; R16-H110 PolarHBondContact NH2-ND1 2.73Å
17A98.3Very high97.8Very high0 Ų017.1 Ų17.10%09%0.089CC..G310 helixtrans-84.8-15.417800000113.3V8 Y10 R14 G15 S19 I20 R21 P54V8-A17 HydrophobicContact CG1-CB 4.32Å; Y10-A17 HydrophobicContact CD1-CB 3.45Å; Y10-A17 VanDerWaalsContact CD1-CB 3.45Å; Y10-A17 HydrophobicContact CD2-CB 4.14Å; Y10-A17 HydrophobicContact CE1-CB 4.14Å; Y10-A17 HydrophobicContact CG-CB 3.45Å; Y10-A17 VanDerWaalsContact CG-CB 3.45Å; R14-A17 PolarHBondContact O-N 3.48Å; G15-A17 PolarHBondContact O-N 3.14Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.41Å; A17-I20 WeakPolarHBondContact O-CB 3.27Å; A17-I20 PolarHBondContact O-N 3.25Å; A17-R21 PolarHBondContact O-N 3.35Å; A17-P54 HydrophobicContact CB-CB 4.05Å
18E98.4Very high97.8Very high1 Ų117.4 Ų17.41%0.00510%0.102CC..Hα-helixtrans-63.9-36-170.1-161.463.7-177.900112.8R14 G15 I20 R21 M22 A165 Y202 R206R14-E18 HydrophobicContact CB-CB 3.94Å; R14-E18 HydrophobicContact CB-CG 3.88Å; R14-E18 HydrophobicContact CG-CG 4.11Å; R14-E18 PolarHBondContact O-N 2.87Å; G15-E18 PolarHBondContact O-N 2.93Å; E18-I20 VanDerWaalsContact C-N 3.32Å; E18-I20 PolarHBondContact O-N 3.37Å; E18-R21 PolarHBondContact O-N 3.49Å; E18-R21 IonicContact OE2-CZ 3.23Å; E18-R21 IonicContact OE2-NH1 3.51Å; E18-R21 PolarHBondContact OE2-NH1 3.14Å; E18-M22 HydrophobicContact CG-CE 3.92Å; E18-M22 HydrophobicContact CG-CG 4.42Å; E18-M22 HydrophobicContact CG-SD 4.38Å; E18-M22 WeakPolarHBondContact O-CB 3.37Å; E18-M22 VanDerWaalsContact O-CG 3.32Å; E18-M22 WeakPolarHBondContact O-CG 2.83Å; E18-M22 PolarHBondContact O-N 3.27Å; E18-A165 HydrophobicContact CB-CB 4.45Å; E18-Y202 WeakPolarHBondContact OE1-CE1 3.39Å; E18-Y202 PolarHBondContact OE1-OH 2.83Å; E18-Y202 PolarHBondContact OE2-OH 3.12Å; E18-R206 VanDerWaalsContact OE1-CD 3.31Å; E18-R206 WeakPolarHBondContact OE1-CD 3.27Å; E18-R206 IonicContact OE1-CZ 3.03Å; E18-R206 IonicContact OE1-NE 3.83Å; E18-R206 IonicContact OE1-NH1 3.17Å; E18-R206 PolarHBondContact OE1-NH1 3.24Å
19S98.4Very high97.7Very high9 Ų919 Ų196%0.06311%0.111CC..Hα-helixtrans-63.6-36.3174.458.80000112.3A17 T23A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.41Å; S19-T23 VanDerWaalsContact O-CB 3.3Å; S19-T23 WeakPolarHBondContact O-CB 3.34Å; S19-T23 PolarHBondContact O-N 3.5Å; S19-T23 PolarHBondContact O-OG1 3.15Å
20I98.8Very high97.6Very high0 Ų025.9 Ų25.90%015%0.148CC..Hα-helixtrans-66.5-50.6174.7-57.6169.1000109.9V8 A17 E18 M22 T23 L24 P54 V56 I74 A75V8-I20 HydrophobicContact CG1-CG2 4.41Å; V8-I20 HydrophobicContact CG2-CG2 4Å; A17-I20 WeakPolarHBondContact O-CB 3.27Å; A17-I20 PolarHBondContact O-N 3.25Å; E18-I20 VanDerWaalsContact C-N 3.32Å; E18-I20 PolarHBondContact O-N 3.37Å; I20-M22 PolarHBondContact O-N 2.86Å; I20-T23 WeakPolarHBondContact O-CB 3.47Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 VanDerWaalsContact O-N 3.16Å; I20-L24 HydrophobicContact CG2-CD1 4.05Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 3.01Å; I20-P54 HydrophobicContact CD1-CB 4.44Å; I20-P54 HydrophobicContact CD1-CG 4.37Å; I20-V56 HydrophobicContact CD1-CG2 4.18Å; I20-V56 HydrophobicContact CG2-CG2 4.13Å; I20-I74 HydrophobicContact CD1-CB 3.9Å; I20-I74 HydrophobicContact CD1-CD1 3.95Å; I20-I74 HydrophobicContact CD1-CG2 3.86Å; I20-I74 HydrophobicContact CG1-CB 4.19Å; I20-I74 HydrophobicContact CG1-CG2 4.03Å; I20-I74 HydrophobicContact CG2-CG2 4.09Å; I20-A75 HydrophobicContact CG1-CB 4.2Å
21R98.7Very high97.6Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-56.1-51.7179.2-66-173-168.9112.7-2.2111V8 G13 R14 A17 E18 T23 L24 V25 Y31 D33 Y202V8-R21 HydrophobicContact CG1-CG 4.41Å; G13-R21 PolarHBondContact O-NH1 3.33Å; G13-R21 PolarHBondContact O-NH2 2.96Å; G13-R21 VanDerWaalsContact O-NH2 3.14Å; R14-R21 PolarHBondContact O-NH1 3.17Å; A17-R21 PolarHBondContact O-N 3.35Å; E18-R21 PolarHBondContact O-N 3.49Å; E18-R21 IonicContact OE2-CZ 3.23Å; E18-R21 IonicContact OE2-NH1 3.51Å; E18-R21 PolarHBondContact OE2-NH1 3.14Å; R21-T23 VanDerWaalsContact C-N 3.28Å; R21-T23 PolarHBondContact O-N 3.1Å; R21-L24 PolarHBondContact O-N 3.41Å; R21-V25 WeakPolarHBondContact O-CB 3.1Å; R21-V25 VanDerWaalsContact O-CG2 3.28Å; R21-V25 WeakPolarHBondContact O-CG2 3.34Å; R21-V25 PolarHBondContact O-N 3.46Å; R21-Y31 HydrophobicContact CG-CE2 4.09Å; R21-D33 IonicContact CZ-OD1 2.87Å; R21-D33 IonicContact CZ-OD2 3.92Å; R21-D33 IonicContact NE-OD1 3.89Å; R21-D33 PolarHBondContact NE-OD1 2.83Å; R21-D33 IonicContact NE-OD2 2.74Å; R21-D33 PolarHBondContact NE-OD2 2.82Å; R21-D33 IonicContact NH2-OD1 2.66Å; R21-D33 PolarHBondContact NH2-OD1 3.45Å; R21-Y202 VanDerWaalsContact CD-OH 3.31Å; R21-Y202 WeakPolarHBondContact CD-OH 3.42Å
22M98.8Very high97.7Very high0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-62.5-34.9179.3-71.2-169.1-65.100112.5E18 I20 V25 A26 L161 I164 A165 L199 Y202 L203E18-M22 HydrophobicContact CG-CE 3.92Å; E18-M22 HydrophobicContact CG-CG 4.42Å; E18-M22 HydrophobicContact CG-SD 4.38Å; E18-M22 WeakPolarHBondContact O-CB 3.37Å; E18-M22 VanDerWaalsContact O-CG 3.32Å; E18-M22 WeakPolarHBondContact O-CG 2.83Å; E18-M22 PolarHBondContact O-N 3.27Å; I20-M22 PolarHBondContact O-N 2.86Å; M22-V25 PolarHBondContact O-N 2.95Å; M22-A26 VanDerWaalsContact O-CB 3.26Å; M22-A26 WeakPolarHBondContact O-CB 3.27Å; M22-A26 PolarHBondContact O-N 2.75Å; M22-L161 HydrophobicContact CB-CB 4.16Å; M22-L161 HydrophobicContact CB-CD1 4.19Å; M22-L161 HydrophobicContact CB-CD2 4.24Å; M22-L161 HydrophobicContact CB-CG 4.42Å; M22-L161 HydrophobicContact CE-CB 4.17Å; M22-L161 WeakPolarHBondContact CE-O 3.26Å; M22-I164 HydrophobicContact SD-CG2 4.32Å; M22-A165 HydrophobicContact CE-CB 3.88Å; M22-L199 HydrophobicContact CB-CD1 3.83Å; M22-L199 HydrophobicContact CG-CD1 3.77Å; M22-L199 HydrophobicContact SD-CD1 4.11Å; M22-Y202 HydrophobicContact CG-CD1 4.22Å; M22-Y202 HydrophobicContact CG-CE1 3.81Å; M22-L203 HydrophobicContact SD-CD2 3.96Å
23T98.8Very high97.8Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-65.1-46.9176.6-59.80000110.8S19 I20 R21 V25 A26 A27 M78 A79 M84 L158 L161S19-T23 VanDerWaalsContact O-CB 3.3Å; S19-T23 WeakPolarHBondContact O-CB 3.34Å; S19-T23 PolarHBondContact O-N 3.5Å; S19-T23 PolarHBondContact O-OG1 3.15Å; I20-T23 WeakPolarHBondContact O-CB 3.47Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 VanDerWaalsContact O-N 3.16Å; R21-T23 VanDerWaalsContact C-N 3.28Å; R21-T23 PolarHBondContact O-N 3.1Å; T23-V25 PolarHBondContact O-N 3.11Å; T23-A26 PolarHBondContact O-N 2.64Å; T23-A27 WeakPolarHBondContact O-CB 3.31Å; T23-A27 PolarHBondContact O-N 3.44Å; T23-M78 HydrophobicContact CG2-CB 3.76Å; T23-A79 HydrophobicContact CG2-CB 3.97Å; T23-M84 HydrophobicContact CG2-CE 3.6Å; T23-M84 WeakPolarHBondContact O-CE 3.49Å; T23-L158 WeakPolarHBondContact OG1-CD1 3.43Å; T23-L161 WeakPolarHBondContact OG1-CD1 3.31Å
24L98.6Very high98Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-62.9-43.8177.3-64.6169.1000111.2I6 V8 I20 R21 A27 G28 V29 Y31 M78I6-L24 HydrophobicContact CD1-CD2 4.01Å; I6-L24 HydrophobicContact CG2-CD1 4.06Å; V8-L24 HydrophobicContact CG2-CD1 3.69Å; I20-L24 HydrophobicContact CG2-CD1 4.05Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 3.01Å; R21-L24 PolarHBondContact O-N 3.41Å; L24-A27 PolarHBondContact O-N 3.35Å; L24-G28 PolarHBondContact O-N 3.22Å; L24-V29 HydrophobicContact CB-CB 4.41Å; L24-V29 HydrophobicContact CD2-CB 4.07Å; L24-V29 HydrophobicContact CD2-CG1 3.86Å; L24-V29 PolarHBondContact O-N 3.39Å; L24-Y31 HydrophobicContact CB-CD1 3.8Å; L24-Y31 HydrophobicContact CB-CE1 4.15Å; L24-Y31 HydrophobicContact CB-CG 4.5Å; L24-Y31 HydrophobicContact CD1-CD1 3.88Å; L24-Y31 HydrophobicContact CD1-CD2 4.24Å; L24-Y31 HydrophobicContact CD1-CG 3.73Å; L24-Y31 HydrophobicContact CG-CD1 4.49Å; L24-M78 HydrophobicContact CD2-CG 4.28Å; L24-M78 HydrophobicContact CD2-SD 4.32Å
25V98.5Very high98Very high21 Ų2132.7 Ų32.713%0.12718%0.176CC..Hα-helixtrans-59.8-48.8175.9167.50000112R21 M22 T23 A27 G28 Y31 R198 L199 Y202R21-V25 WeakPolarHBondContact O-CB 3.1Å; R21-V25 VanDerWaalsContact O-CG2 3.28Å; R21-V25 WeakPolarHBondContact O-CG2 3.34Å; R21-V25 PolarHBondContact O-N 3.46Å; M22-V25 PolarHBondContact O-N 2.95Å; T23-V25 PolarHBondContact O-N 3.11Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 2.98Å; V25-G28 PolarHBondContact O-N 2.86Å; V25-Y31 HydrophobicContact CG2-CE1 4.06Å; V25-R198 HydrophobicContact CG1-CB 4.09Å; V25-R198 VanDerWaalsContact O-CD 3.22Å; V25-R198 WeakPolarHBondContact O-CD 3.48Å; V25-L199 HydrophobicContact CG1-CD1 4.35Å; V25-Y202 HydrophobicContact CB-CG 4.48Å; V25-Y202 HydrophobicContact CG1-CG 4.08Å; V25-Y202 HydrophobicContact CG2-CD2 3.7Å; V25-Y202 HydrophobicContact CG2-CE2 4.17Å; V25-Y202 HydrophobicContact CG2-CG 3.9Å
26A98.3Very high98.1Very high14 Ų1432.8 Ų32.812%0.11617%0.174CC..Hα-helixtrans-61.7-41.3-179.900000111.1M22 T23 G28 M84 V156 L161 R198M22-A26 VanDerWaalsContact O-CB 3.26Å; M22-A26 WeakPolarHBondContact O-CB 3.27Å; M22-A26 PolarHBondContact O-N 2.75Å; T23-A26 PolarHBondContact O-N 2.64Å; A26-G28 PolarHBondContact O-N 2.62Å; A26-M84 HydrophobicContact CB-CE 4.47Å; A26-M84 HydrophobicContact CB-SD 3.86Å; A26-V156 HydrophobicContact CB-CG1 4.28Å; A26-L161 HydrophobicContact CB-CD1 4.37Å; A26-R198 PolarHBondContact O-NH1 3.19Å
27A97.7Very high98Very high29 Ų2930.9 Ų30.924%0.2417%0.174CC..Hα-helixtrans-67.9-16.1175.200000113.9T23 L24 V25 V29 H82 M84T23-A27 WeakPolarHBondContact O-CB 3.31Å; T23-A27 PolarHBondContact O-N 3.44Å; L24-A27 PolarHBondContact O-N 3.35Å; V25-A27 VanDerWaalsContact C-N 3.3Å; V25-A27 PolarHBondContact O-N 2.98Å; A27-V29 HydrophobicContact CB-CG2 3.78Å; A27-H82 HydrophobicContact CB-CB 3.76Å; A27-M84 HydrophobicContact CB-CE 3.83Å
28G97.4Very high97.9Very high40 Ų4037.6 Ų37.641%0.41220%0.203SC..THydrogen-bonded Turntrans70.234.9-172.700000112.8L24 V25 A26L24-G28 PolarHBondContact O-N 3.22Å; V25-G28 PolarHBondContact O-N 2.86Å; A26-G28 PolarHBondContact O-N 2.62Å
29V97.3Very high97.8Very high33 Ų3345.8 Ų45.820%0.224%0.242CC..  trans-100.4124.6178.2177.10000109.4I6 L24 A27 H82I6-V29 HydrophobicContact CD1-CG1 3.75Å; L24-V29 HydrophobicContact CB-CB 4.41Å; L24-V29 HydrophobicContact CD2-CB 4.07Å; L24-V29 HydrophobicContact CD2-CG1 3.86Å; L24-V29 PolarHBondContact O-N 3.39Å; A27-V29 HydrophobicContact CB-CG2 3.78Å; V29-H82 VanDerWaalsContact CG2-CE1 3.49Å; V29-H82 WeakPolarHBondContact CG2-CE1 3.4Å
30D97Very high97.7Very high150 Ų15049.2 Ų49.280%0.80226%0.259SS*.  trans-70.8143175.3-65.2-39.9000111.1
31Y98.1Very high97.7Very high57 Ų5751.1 Ų51.122%0.22427%0.266CS..  trans-152.9155.7177.571.3-80.8000111.5I6 V8 R21 L24 V25 D33I6-Y31 CarbonylContact O-C 3.28Å; I6-Y31 VanDerWaalsContact O-CA 3.26Å; I6-Y31 WeakPolarHBondContact O-CA 3.43Å; I6-Y31 WeakPolarHBondContact O-CB 3.45Å; V8-Y31 HydrophobicContact CB-CD2 4.08Å; V8-Y31 HydrophobicContact CB-CE2 4.37Å; V8-Y31 HydrophobicContact CG2-CD2 3.62Å; V8-Y31 HydrophobicContact CG2-CE2 4.15Å; V8-Y31 HydrophobicContact CG2-CG 4.29Å; R21-Y31 HydrophobicContact CG-CE2 4.09Å; L24-Y31 HydrophobicContact CB-CD1 3.8Å; L24-Y31 HydrophobicContact CB-CE1 4.15Å; L24-Y31 HydrophobicContact CB-CG 4.5Å; L24-Y31 HydrophobicContact CD1-CD1 3.88Å; L24-Y31 HydrophobicContact CD1-CD2 4.24Å; L24-Y31 HydrophobicContact CD1-CG 3.73Å; L24-Y31 HydrophobicContact CG-CD1 4.49Å; V25-Y31 HydrophobicContact CG2-CE1 4.06Å; Y31-D33 HydrophobicContact CD2-CB 4.39Å; Y31-D33 HydrophobicContact CE2-CB 3.78Å
32E98.3Very high97.7Very high78 Ų7855.6 Ų55.636%0.36430%0.295SS..EExtended strand (participates in β ladder)trans-88.2123.7168.4-172.1-172.915900109.8H5 I6 K7 V8H5-E32 IonicContact CE1-OE2 3.99Å; H5-E32 PolarHBondContact CE1-OE2 2.79Å; H5-E32 IonicContact NE2-OE2 2.87Å; I6-E32 PolarHBondContact O-N 3.44Å; K7-E32 CarbonylContact C-O 3.57Å; K7-E32 WeakPolarHBondContact CA-O 3.39Å; K7-E32 HydrophobicContact CB-CB 4.32Å; K7-E32 VanDerWaalsContact CE-CD 3.49Å; K7-E32 WeakPolarHBondContact CE-OE2 3.42Å; K7-E32 HydrophobicContact CG-CB 4.44Å; K7-E32 IonicContact NZ-OE1 2.69Å; K7-E32 PolarHBondContact NZ-OE1 2.83Å; K7-E32 IonicContact NZ-OE2 3.98Å; K7-E32 PolarHBondContact NZ-OE2 2.88Å; V8-E32 PolarHBondContact N-O 3.44Å
33D98Very high97.6Very high50 Ų5063.6 Ų63.627%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-93.294.3174.5-165.321000109.6R21 Y31 R35R21-D33 IonicContact CZ-OD1 2.87Å; R21-D33 IonicContact CZ-OD2 3.92Å; R21-D33 IonicContact NE-OD1 3.89Å; R21-D33 PolarHBondContact NE-OD1 2.83Å; R21-D33 IonicContact NE-OD2 2.74Å; R21-D33 PolarHBondContact NE-OD2 2.82Å; R21-D33 IonicContact NH2-OD1 2.66Å; R21-D33 PolarHBondContact NH2-OD1 3.45Å; Y31-D33 HydrophobicContact CD2-CB 4.39Å; Y31-D33 HydrophobicContact CE2-CB 3.78Å; D33-R35 PolarHBondContact O-N 3.27Å; D33-R35 IonicContact OD2-CZ 3.3Å; D33-R35 IonicContact OD2-NE 2.8Å; D33-R35 PolarHBondContact OD2-NE 2.84Å; D33-R35 IonicContact OD2-NH2 3.74Å; D33-R35 PolarHBondContact OD2-NH2 2.88Å
34E98Very high97.6Very high51 Ų5165.4 Ų65.424%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-88.8101179.1-172.6175.3142.200110.1K7 V8 I9 Y10 I36K7-E34 WeakPolarHBondContact CD-OE2 3.26Å; K7-E34 WeakPolarHBondContact CE-OE2 3.31Å; K7-E34 HydrophobicContact CG-CB 4.14Å; K7-E34 IonicContact NZ-OE2 2.92Å; K7-E34 PolarHBondContact NZ-OE2 2.86Å; V8-E34 PolarHBondContact O-N 2.98Å; I9-E34 WeakPolarHBondContact CA-O 3.43Å; I9-E34 HydrophobicContact CG1-CB 4.23Å; Y10-E34 PolarHBondContact N-O 3.28Å; Y10-E34 VanDerWaalsContact N-O 3.08Å; E34-I36 HydrophobicContact CG-CD1 3.8Å; E34-I36 WeakPolarHBondContact OE1-CD1 3.32Å
35R97.6Very high97.6Very high62 Ų6270.2 Ų70.223%0.23436%0.36CS..EExtended strand (participates in β ladder)trans-94.9114.5-178.6-63.1-179.1172.5-129.7-2.7111Y10 D12 D33Y10-R35 CarbonylContact O-C 3.55Å; Y10-R35 WeakPolarHBondContact O-CA 3.35Å; D12-R35 HydrophobicContact CB-CB 4.21Å; D12-R35 VanDerWaalsContact OD1-CD 3.31Å; D12-R35 WeakPolarHBondContact OD1-CD 3.37Å; D12-R35 IonicContact OD1-CZ 3.81Å; D12-R35 IonicContact OD1-NE 3.72Å; D12-R35 IonicContact OD1-NH1 3.85Å; D12-R35 PolarHBondContact OD1-NH1 3.44Å; D33-R35 PolarHBondContact O-N 3.27Å; D33-R35 IonicContact OD2-CZ 3.3Å; D33-R35 IonicContact OD2-NE 2.8Å; D33-R35 PolarHBondContact OD2-NE 2.84Å; D33-R35 IonicContact OD2-NH2 3.74Å; D33-R35 PolarHBondContact OD2-NH2 2.88Å
36I97.6Very high97.5Very high11 Ų1174.5 Ų74.56%0.05639%0.388CS..EExtended strand (participates in β ladder)trans-93126.4-176.5-50.6-57.1000110I9 Y10 F11 D12 E34 D40 W41 I44 L53I9-I36 HydrophobicContact CG2-CD1 4.11Å; I9-I36 HydrophobicContact CG2-CG1 3.78Å; Y10-I36 PolarHBondContact O-N 3.29Å; F11-I36 WeakPolarHBondContact CA-O 3.42Å; D12-I36 PolarHBondContact N-O 2.85Å; E34-I36 HydrophobicContact CG-CD1 3.8Å; E34-I36 WeakPolarHBondContact OE1-CD1 3.32Å; I36-D40 HydrophobicContact CG2-CB 4.27Å; I36-W41 HydrophobicContact CG2-CB 4.25Å; I36-W41 HydrophobicContact CG2-CE3 4.28Å; I36-I44 HydrophobicContact CD1-CG1 4.39Å; I36-I44 HydrophobicContact CD1-CG2 4.31Å; I36-I44 HydrophobicContact CG2-CB 4.4Å; I36-I44 HydrophobicContact CG2-CG1 4.23Å; I36-L53 HydrophobicContact CB-CD1 4.45Å; I36-L53 HydrophobicContact CG1-CD1 4.3Å
37S96Very high97.5Very high43 Ų4378 Ų7830%0.30141%0.409SS..  trans-72.2154.6172.881.60000111.2Q39 D40 W41S37-Q39 PolarHBondContact O-N 3.11Å; S37-Q39 PolarHBondContact OG-N 3.12Å; S37-D40 PolarHBondContact O-N 2.88Å; S37-D40 WeakPolarHBondContact OG-CB 3.42Å; S37-D40 PolarHBondContact OG-N 2.66Å; S37-D40 PolarHBondContact OG-OD2 2.89Å; S37-W41 PolarHBondContact O-N 3.25Å
38F94.5Very high97.5Very high140 Ų14077 Ų7761%0.61440%0.399SS*.THydrogen-bonded Turntrans-59.9-29.7173-75.2-72.8000112.7F11 P42 F211F11-F38 HydrophobicContact CD1-CD1 4.37Å; F11-F38 HydrophobicContact CD1-CE1 4.25Å; F11-F38 HydrophobicContact CE1-CD1 4.18Å; F11-F38 HydrophobicContact CE1-CE1 4.21Å; F38-P42 WeakPolarHBondContact O-CD 3.44Å; F38-F211 HydrophobicContact CZ-CE1 4.5Å
39Q97.1Very high97.4Very high174 Ų17477.3 Ų77.381%0.81339%0.394SS*.THydrogen-bonded Turntrans-70.2-39176.8179.1177.8-16.800112.1S37 P42S37-Q39 PolarHBondContact O-N 3.11Å; S37-Q39 PolarHBondContact OG-N 3.12Å; Q39-P42 WeakPolarHBondContact O-CD 3.48Å
40D97.2Very high97.4Very high81 Ų8179.1 Ų79.143%0.43342%0.419SS..THydrogen-bonded Turntrans-81-22.9-179.4-63.9-47.9000112.6I36 S37 P42 K43 I44I36-D40 HydrophobicContact CG2-CB 4.27Å; S37-D40 PolarHBondContact O-N 2.88Å; S37-D40 WeakPolarHBondContact OG-CB 3.42Å; S37-D40 PolarHBondContact OG-N 2.66Å; S37-D40 PolarHBondContact OG-OD2 2.89Å; D40-P42 VanDerWaalsContact C-CD 3.5Å; D40-K43 WeakPolarHBondContact O-CB 3.44Å; D40-K43 PolarHBondContact O-N 3.37Å; D40-I44 HydrophobicContact CB-CG1 4.48Å; D40-I44 PolarHBondContact O-N 3.49Å; D40-I44 VanDerWaalsContact O-N 3.12Å
41W97.9Very high97.4Very high39 Ų3972.7 Ų72.715%0.14839%0.389CS..Hα-helixtrans-52.9-43.6-174.5177.7-129.4000115.1F11 I36 S37 K43 I44 K45 I48 G51 L53F11-W41 HydrophobicContact CE1-CB 3.86Å; F11-W41 AromaticContact CE1-CD1 3.91Å; F11-W41 AromaticContact CE1-CD2 3.98Å; F11-W41 HydrophobicContact CE1-CD2 3.98Å; F11-W41 AromaticContact CE1-CG 3.63Å; F11-W41 HydrophobicContact CE1-CG 3.63Å; F11-W41 AromaticContact CZ-CD1 3.79Å; F11-W41 AromaticContact CZ-CD2 3.97Å; F11-W41 HydrophobicContact CZ-CD2 3.97Å; F11-W41 AromaticContact CZ-CE2 3.97Å; F11-W41 AromaticContact CZ-CG 3.87Å; F11-W41 HydrophobicContact CZ-CG 3.87Å; F11-W41 AromaticContact CZ-NE1 3.81Å; I36-W41 HydrophobicContact CG2-CB 4.25Å; I36-W41 HydrophobicContact CG2-CE3 4.28Å; S37-W41 PolarHBondContact O-N 3.25Å; W41-K43 PolarHBondContact O-N 2.89Å; W41-I44 HydrophobicContact CE3-CB 4.26Å; W41-I44 HydrophobicContact CE3-CG2 4.43Å; W41-I44 HydrophobicContact CZ3-CG2 4.3Å; W41-I44 PolarHBondContact O-N 2.99Å; W41-I44 VanDerWaalsContact O-N 3.15Å; W41-K45 HydrophobicContact CD2-CB 3.99Å; W41-K45 HydrophobicContact CE3-CB 4.05Å; W41-K45 HydrophobicContact CH2-CB 3.71Å; W41-K45 HydrophobicContact CH2-CG 3.81Å; W41-K45 HydrophobicContact CZ2-CB 3.66Å; W41-K45 HydrophobicContact CZ2-CD 3.79Å; W41-K45 HydrophobicContact CZ2-CG 3.53Å; W41-K45 HydrophobicContact CZ3-CB 3.9Å; W41-K45 VanDerWaalsContact O-CB 3.27Å; W41-K45 WeakPolarHBondContact O-CB 3.34Å; W41-K45 PolarHBondContact O-N 3.21Å; W41-I48 HydrophobicContact CH2-CG1 4.3Å; W41-I48 HydrophobicContact CZ3-CG1 4Å; W41-G51 WeakPolarHBondContact CZ2-O 3.17Å; W41-L53 HydrophobicContact CE3-CD1 3.83Å; W41-L53 HydrophobicContact CE3-CG 4.36Å; W41-L53 HydrophobicContact CH2-CD1 4.06Å; W41-L53 HydrophobicContact CH2-CD2 4.25Å; W41-L53 HydrophobicContact CH2-CG 3.66Å; W41-L53 HydrophobicContact CZ2-CG 4.38Å; W41-L53 HydrophobicContact CZ3-CD1 3.58Å; W41-L53 HydrophobicContact CZ3-CD2 4.08Å; W41-L53 HydrophobicContact CZ3-CG 3.64Å
42P98.2Very high97.4Very high94 Ų9478.8 Ų78.861%0.6141%0.411SS*.Hα-helixtrans-56.9-33.1176.5-26.235.9000113.9F38 Q39 D40 P46F38-P42 WeakPolarHBondContact O-CD 3.44Å; Q39-P42 WeakPolarHBondContact O-CD 3.48Å; D40-P42 VanDerWaalsContact C-CD 3.5Å; P42-P46 WeakPolarHBondContact O-CD 3.28Å
43K98.1Very high97.4Very high168 Ų16876.2 Ų76.273%0.7340%0.4SS*.Hα-helixtrans-78.1-37.5177.8-179.9-175.3174.3-172.70112.1D40 W41 P46D40-K43 WeakPolarHBondContact O-CB 3.44Å; D40-K43 PolarHBondContact O-N 3.37Å; W41-K43 PolarHBondContact O-N 2.89Å; K43-P46 WeakPolarHBondContact O-CD 3.41Å
44I97.6Very high97.4Very high39 Ų3974.2 Ų74.220%0.239%0.39CS..Hα-helixtrans-80.7-35.2-176.8-59.5-60.5000111.9I36 D40 W41 P46 T47 I48I36-I44 HydrophobicContact CD1-CG1 4.39Å; I36-I44 HydrophobicContact CD1-CG2 4.31Å; I36-I44 HydrophobicContact CG2-CB 4.4Å; I36-I44 HydrophobicContact CG2-CG1 4.23Å; D40-I44 HydrophobicContact CB-CG1 4.48Å; D40-I44 PolarHBondContact O-N 3.49Å; D40-I44 VanDerWaalsContact O-N 3.12Å; W41-I44 HydrophobicContact CE3-CB 4.26Å; W41-I44 HydrophobicContact CE3-CG2 4.43Å; W41-I44 HydrophobicContact CZ3-CG2 4.3Å; W41-I44 PolarHBondContact O-N 2.99Å; W41-I44 VanDerWaalsContact O-N 3.15Å; I44-P46 VanDerWaalsContact C-CD 3.42Å; I44-P46 VanDerWaalsContact O-N 3.17Å; I44-T47 WeakPolarHBondContact O-CB 3.35Å; I44-T47 PolarHBondContact O-N 2.88Å; I44-T47 PolarHBondContact O-OG1 3.32Å; I44-I48 HydrophobicContact CG2-CD1 4.25Å; I44-I48 HydrophobicContact CG2-CG1 4.1Å
45K98.3Very high97.5Very high101 Ų10171.8 Ų71.844%0.43938%0.378SS..G310 helixtrans-48.4-43.8-175.4-179176.4-177.8-1800115W41 T47 I48 G51W41-K45 HydrophobicContact CD2-CB 3.99Å; W41-K45 HydrophobicContact CE3-CB 4.05Å; W41-K45 HydrophobicContact CH2-CB 3.71Å; W41-K45 HydrophobicContact CH2-CG 3.81Å; W41-K45 HydrophobicContact CZ2-CB 3.66Å; W41-K45 HydrophobicContact CZ2-CD 3.79Å; W41-K45 HydrophobicContact CZ2-CG 3.53Å; W41-K45 HydrophobicContact CZ3-CB 3.9Å; W41-K45 VanDerWaalsContact O-CB 3.27Å; W41-K45 WeakPolarHBondContact O-CB 3.34Å; W41-K45 PolarHBondContact O-N 3.21Å; K45-T47 PolarHBondContact O-N 3.43Å; K45-I48 PolarHBondContact O-N 2.94Å; K45-G51 VanDerWaalsContact CE-O 3.26Å; K45-G51 WeakPolarHBondContact CE-O 3.39Å
46P98.1Very high97.5Very high110 Ų11068.9 Ų68.971%0.71437%0.367SS*.G310 helixtrans-63.9-19.3178.5-2234.8000114.3P42 K43 I44P42-P46 WeakPolarHBondContact O-CD 3.28Å; K43-P46 WeakPolarHBondContact O-CD 3.41Å; I44-P46 VanDerWaalsContact C-CD 3.42Å; I44-P46 VanDerWaalsContact O-N 3.17Å
47T96.8Very high97.6Very high88 Ų8871.5 Ų71.554%0.5438%0.378SS..G310 helixtrans-87.7-14.3179.674.60000113.2I44 K45I44-T47 WeakPolarHBondContact O-CB 3.35Å; I44-T47 PolarHBondContact O-N 2.88Å; I44-T47 PolarHBondContact O-OG1 3.32Å; K45-T47 PolarHBondContact O-N 3.43Å
48I97.9Very high97.7Very high7 Ų769.9 Ų69.94%0.03637%0.367CS..SBendtrans-93.7124.3-177.5-57.3-58.9000109.6I9 W41 I44 K45 G50 G51 R52 L53 A55 W67I9-I48 HydrophobicContact CD1-CD1 4.08Å; I9-I48 HydrophobicContact CG2-CD1 4.39Å; W41-I48 HydrophobicContact CH2-CG1 4.3Å; W41-I48 HydrophobicContact CZ3-CG1 4Å; I44-I48 HydrophobicContact CG2-CD1 4.25Å; I44-I48 HydrophobicContact CG2-CG1 4.1Å; K45-I48 PolarHBondContact O-N 2.94Å; I48-G50 PolarHBondContact O-N 3.15Å; I48-G51 WeakPolarHBondContact O-CA 3.29Å; I48-G51 PolarHBondContact O-N 3.16Å; I48-R52 WeakPolarHBondContact CG2-O 3.26Å; I48-L53 HydrophobicContact CD1-CD2 4.38Å; I48-L53 HydrophobicContact CG1-CD2 4.17Å; I48-L53 HydrophobicContact CG2-CD2 4.17Å; I48-A55 HydrophobicContact CG2-CB 3.82Å; I48-W67 HydrophobicContact CD1-CH2 3.82Å; I48-W67 HydrophobicContact CD1-CZ3 3.9Å
49P96.8Very high97.8Very high47 Ų4764.8 Ų64.831%0.30535%0.347SS..G310 helixtrans-54.5129.5174.1-27.737.3000111.8G51 W67 L69P49-G51 PolarHBondContact O-N 3.13Å; P49-W67 HydrophobicContact CG-CB 3.92Å; P49-W67 HydrophobicContact CG-CD2 3.75Å; P49-W67 HydrophobicContact CG-CE3 4.23Å; P49-W67 HydrophobicContact CG-CG 3.6Å; P49-L69 HydrophobicContact CB-CD1 4.15Å; P49-L69 VanDerWaalsContact O-CD1 3.3Å; P49-L69 WeakPolarHBondContact O-CD1 3.3Å; P49-L69 WeakPolarHBondContact O-CD2 3.45Å
50G96.4Very high97.7Very high71 Ų7158.9 Ų58.973%0.73232%0.321SS*.G310 helixtrans71.6-1.7-175.900000115.3I48 R52I48-G50 PolarHBondContact O-N 3.15Å; G50-R52 VanDerWaalsContact C-N 3.26Å; G50-R52 PolarHBondContact O-N 3.44Å
51G97.6Very high97.5Very high16 Ų1659.6 Ų59.617%0.16533%0.325CS..G310 helixtrans60.729.1172.900000114.6W41 K45 I48 P49W41-G51 WeakPolarHBondContact CZ2-O 3.17Å; K45-G51 VanDerWaalsContact CE-O 3.26Å; K45-G51 WeakPolarHBondContact CE-O 3.39Å; I48-G51 WeakPolarHBondContact O-CA 3.29Å; I48-G51 PolarHBondContact O-N 3.16Å; P49-G51 PolarHBondContact O-N 3.13Å
52R97.7Very high97.4Very high185 Ų18565 Ų6570%0.69835%0.352SS*.  trans-135153.4178.9-64.3-165.4-60.9158.13.4111.2I48 G50I48-R52 WeakPolarHBondContact CG2-O 3.26Å; G50-R52 VanDerWaalsContact C-N 3.26Å; G50-R52 PolarHBondContact O-N 3.44Å
53L98.1Very high97.1Very high24 Ų2462.8 Ų62.813%0.12635%0.346CS..SBendtrans-115.8152.6175-63.6179.6000110I9 Y10 F11 I36 W41 I48 A55I9-L53 HydrophobicContact CB-CD2 4.3Å; I9-L53 HydrophobicContact CG2-CD2 3.87Å; Y10-L53 HydrophobicContact CD2-CB 3.78Å; Y10-L53 HydrophobicContact CE2-CB 4.2Å; F11-L53 HydrophobicContact CD1-CD1 4.48Å; F11-L53 HydrophobicContact CD2-CD1 4.46Å; F11-L53 HydrophobicContact CE1-CD1 4.35Å; F11-L53 HydrophobicContact CE2-CB 4.47Å; F11-L53 HydrophobicContact CE2-CD1 4.34Å; F11-L53 HydrophobicContact CZ-CD1 4.28Å; I36-L53 HydrophobicContact CB-CD1 4.45Å; I36-L53 HydrophobicContact CG1-CD1 4.3Å; W41-L53 HydrophobicContact CE3-CD1 3.83Å; W41-L53 HydrophobicContact CE3-CG 4.36Å; W41-L53 HydrophobicContact CH2-CD1 4.06Å; W41-L53 HydrophobicContact CH2-CD2 4.25Å; W41-L53 HydrophobicContact CH2-CG 3.66Å; W41-L53 HydrophobicContact CZ2-CG 4.38Å; W41-L53 HydrophobicContact CZ3-CD1 3.58Å; W41-L53 HydrophobicContact CZ3-CD2 4.08Å; W41-L53 HydrophobicContact CZ3-CG 3.64Å; I48-L53 HydrophobicContact CD1-CD2 4.38Å; I48-L53 HydrophobicContact CG1-CD2 4.17Å; I48-L53 HydrophobicContact CG2-CD2 4.17Å; L53-A55 HydrophobicContact CD2-CB 4.15Å
54P98.5Very high97.1Very high8 Ų860.6 Ų60.65%0.05234%0.338CS..  cis-75.2153.72.629.3-31.1000113.7I9 Y10 R16 A17 I20I9-P54 WeakPolarHBondContact O-CA 3.31Å; Y10-P54 HydrophobicContact CD2-CB 3.55Å; Y10-P54 HydrophobicContact CD2-CG 4.14Å; Y10-P54 HydrophobicContact CE2-CB 4.16Å; Y10-P54 HydrophobicContact CE2-CG 4.25Å; Y10-P54 HydrophobicContact CG-CB 4.18Å; R16-P54 HydrophobicContact CB-CG 4.17Å; A17-P54 HydrophobicContact CB-CB 4.05Å; I20-P54 HydrophobicContact CD1-CB 4.44Å; I20-P54 HydrophobicContact CD1-CG 4.37Å
55A98.7Very high97Very high0 Ų062 Ų620%035%0.348CS..EExtended strand (participates in β ladder)trans-131.6144.1169.900000108.8I9 I48 L53 W67 M68 L69I9-A55 WeakPolarHBondContact CA-O 3.29Å; I9-A55 WeakPolarHBondContact CB-O 3.34Å; I9-A55 PolarHBondContact N-O 2.98Å; I9-A55 PolarHBondContact O-N 3.31Å; I48-A55 HydrophobicContact CG2-CB 3.82Å; L53-A55 HydrophobicContact CD2-CB 4.15Å; A55-W67 HydrophobicContact CB-CE3 4.26Å; A55-W67 HydrophobicContact CB-CZ3 4.09Å; A55-M68 WeakPolarHBondContact CA-O 3.42Å; A55-L69 HydrophobicContact CB-CD2 3.74Å
56V98.8Very high97Very high0 Ų062.1 Ų62.10%035%0.349CS..EExtended strand (participates in β ladder)trans-115.5130172.4173.50000109I6 K7 V8 I20 V58 M68 I74 M78I6-V56 HydrophobicContact CG2-CG1 3.84Å; K7-V56 WeakPolarHBondContact O-CA 3.46Å; V8-V56 HydrophobicContact CB-CG2 4.5Å; V8-V56 HydrophobicContact CG1-CG2 4.43Å; V8-V56 HydrophobicContact CG2-CG2 4.14Å; I20-V56 HydrophobicContact CD1-CG2 4.18Å; I20-V56 HydrophobicContact CG2-CG2 4.13Å; V56-V58 HydrophobicContact CG1-CG2 3.91Å; V56-M68 HydrophobicContact CB-CB 4.33Å; V56-M68 PolarHBondContact N-O 2.81Å; V56-M68 PolarHBondContact O-N 3.3Å; V56-I74 HydrophobicContact CB-CD1 4.29Å; V56-I74 HydrophobicContact CB-CG2 4.32Å; V56-I74 HydrophobicContact CG2-CD1 4.03Å; V56-I74 HydrophobicContact CG2-CG2 3.87Å; V56-M78 HydrophobicContact CG1-CE 4.48Å
57K98.5Very high97Very high66 Ų6661 Ų6129%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-107.5116.1173.9-171.3-173.6-178.9-175.40108.3K7 V65 W67K7-K57 HydrophobicContact CB-CB 4.36Å; K7-K57 PolarHBondContact N-O 3.32Å; K7-K57 PolarHBondContact O-N 3.37Å; K57-V65 HydrophobicContact CD-CG1 4.15Å; K57-V65 VanDerWaalsContact CE-CG1 3.41Å; K57-V65 HydrophobicContact CG-CG1 3.65Å; K57-W67 HydrophobicContact CB-CD2 4.41Å; K57-W67 HydrophobicContact CB-CE3 4.09Å; K57-W67 HydrophobicContact CB-CH2 4.12Å; K57-W67 HydrophobicContact CB-CZ2 4.42Å; K57-W67 HydrophobicContact CB-CZ3 3.95Å; K57-W67 HydrophobicContact CD-CH2 4.07Å; K57-W67 HydrophobicContact CD-CZ2 3.83Å; K57-W67 HydrophobicContact CG-CD2 4.35Å; K57-W67 HydrophobicContact CG-CH2 4.27Å; K57-W67 HydrophobicContact CG-CZ2 4.09Å; K57-W67 HydrophobicContact CG-CZ3 4.47Å
58V98.1Very high97.1Very high9 Ų958 Ų586%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-106.4123.7175.6-173.20000107.9E4 H5 I6 V56 V65 K66 M68 M78E4-V58 HydrophobicContact CB-CG1 3.76Å; E4-V58 HydrophobicContact CG-CG1 4.11Å; H5-V58 WeakPolarHBondContact O-CA 3.35Å; I6-V58 HydrophobicContact CG1-CG1 4.38Å; I6-V58 HydrophobicContact CG1-CG2 4.41Å; V56-V58 HydrophobicContact CG1-CG2 3.91Å; V58-V65 WeakPolarHBondContact O-CA 3.31Å; V58-K66 HydrophobicContact CB-CB 4.43Å; V58-K66 PolarHBondContact N-O 3.31Å; V58-K66 PolarHBondContact O-N 2.98Å; V58-M68 HydrophobicContact CG2-SD 4.24Å; V58-M78 HydrophobicContact CG2-CE 4.49Å
59T97.9Very high97.1Very high34 Ų3461.1 Ų61.121%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-113.7121.5176.2-48.60000108.7E4 H5 H64 V65E4-T59 CarbonylContact C-O 3.58Å; E4-T59 WeakPolarHBondContact CA-O 3.43Å; H5-T59 PolarHBondContact N-O 3.32Å; H5-T59 PolarHBondContact O-N 3.22Å; T59-H64 WeakPolarHBondContact CA-O 3.23Å; T59-V65 HydrophobicContact CG2-CG2 4.26Å
60D94.8Very high97.2Very high49 Ų4963.1 Ų63.126%0.26233%0.332SS..  trans-79.2174.7176.375.59.1000111.8H62 G63 H64D60-H62 PolarHBondContact O-N 3.19Å; D60-H62 VanDerWaalsContact O-N 3.14Å; D60-H62 VanDerWaalsContact OD1-CA 3.32Å; D60-H62 WeakPolarHBondContact OD1-CA 3.17Å; D60-H62 WeakPolarHBondContact OD1-CB 3.5Å; D60-H62 PolarHBondContact OD1-N 3.12Å; D60-G63 PolarHBondContact O-N 3.42Å; D60-G63 PolarHBondContact OD1-N 3.1Å; D60-H64 PolarHBondContact N-O 2.99Å; D60-H64 WeakPolarHBondContact OD1-CB 3.41Å; D60-H64 IonicContact OD1-CG 3.47Å; D60-H64 PolarHBondContact OD1-N 3.15Å; D60-H64 IonicContact OD1-ND1 2.67Å; D60-H64 WeakPolarHBondContact OD2-CB 3.46Å; D60-H64 IonicContact OD2-CG 2.82Å; D60-H64 IonicContact OD2-ND1 2.67Å; D60-H64 PolarHBondContact OD2-ND1 3.24Å
61D93.2Very high97.3Very high96 Ų9659.9 Ų59.951%0.51330%0.298SS..THydrogen-bonded Turntrans-65.7-14.5-179.4-62.9-37.9000113.7A2 G3A2-D61 HydrophobicContact CB-CB 4.39Å; A2-D61 WeakPolarHBondContact CB-OD1 3.36Å; A2-D61 WeakPolarHBondContact CB-OD2 3.42Å; G3-D61 PolarHBondContact N-OD1 3.16Å; G3-D61 PolarHBondContact N-OD2 2.89Å
62H94.4Very high97.3Very high154 Ų15459.8 Ų59.871%0.71329%0.294SS*.THydrogen-bonded Turntrans-92.80.2175.2-57.7-60000112.3D60 H64D60-H62 PolarHBondContact O-N 3.19Å; D60-H62 VanDerWaalsContact O-N 3.14Å; D60-H62 VanDerWaalsContact OD1-CA 3.32Å; D60-H62 WeakPolarHBondContact OD1-CA 3.17Å; D60-H62 WeakPolarHBondContact OD1-CB 3.5Å; D60-H62 PolarHBondContact OD1-N 3.12Å; H62-H64 VanDerWaalsContact C-N 3.29Å
63G93.9Very high97.4Very high47 Ų4753.4 Ų53.449%0.48528%0.281SS..  trans79.18.8-17700000113.8D60D60-G63 PolarHBondContact O-N 3.42Å; D60-G63 PolarHBondContact OD1-N 3.1Å
64H96.2Very high97.4Very high122 Ų12252.3 Ų52.357%0.56528%0.275SS*.  trans-71.2133.4173.1-52.9126.7000110T59 D60 H62T59-H64 WeakPolarHBondContact CA-O 3.23Å; D60-H64 PolarHBondContact N-O 2.99Å; D60-H64 WeakPolarHBondContact OD1-CB 3.41Å; D60-H64 IonicContact OD1-CG 3.47Å; D60-H64 PolarHBondContact OD1-N 3.15Å; D60-H64 IonicContact OD1-ND1 2.67Å; D60-H64 WeakPolarHBondContact OD2-CB 3.46Å; D60-H64 IonicContact OD2-CG 2.82Å; D60-H64 IonicContact OD2-ND1 2.67Å; D60-H64 PolarHBondContact OD2-ND1 3.24Å; H62-H64 VanDerWaalsContact C-N 3.29Å
65V97Very high97.4Very high68 Ų6852 Ų5241%0.41227%0.273SS..EExtended strand (participates in β ladder)trans-105.4122.6-177.4175.20000109.9K57 V58 T59K57-V65 HydrophobicContact CD-CG1 4.15Å; K57-V65 VanDerWaalsContact CE-CG1 3.41Å; K57-V65 HydrophobicContact CG-CG1 3.65Å; V58-V65 WeakPolarHBondContact O-CA 3.31Å; T59-V65 HydrophobicContact CG2-CG2 4.26Å
66K97.4Very high97.5Very high104 Ų10455.2 Ų55.245%0.45229%0.285SS..EExtended strand (participates in β ladder)trans-105.5125.2166.3-178.4-179.9177.4-178.30109.6V58 M68V58-K66 HydrophobicContact CB-CB 4.43Å; V58-K66 PolarHBondContact N-O 3.31Å; V58-K66 PolarHBondContact O-N 2.98Å; K66-M68 HydrophobicContact CD-CG 4.47Å; K66-M68 HydrophobicContact CG-CG 4.29Å
67W98.4Very high97.5Very high86 Ų8659.8 Ų59.833%0.32630%0.303SS..EExtended strand (participates in β ladder)trans-94.2137.9169.2-73.997.8000110.4I9 I48 P49 A55 K57I9-W67 HydrophobicContact CD1-CH2 3.83Å; I9-W67 HydrophobicContact CD1-CZ3 3.76Å; I48-W67 HydrophobicContact CD1-CH2 3.82Å; I48-W67 HydrophobicContact CD1-CZ3 3.9Å; P49-W67 HydrophobicContact CG-CB 3.92Å; P49-W67 HydrophobicContact CG-CD2 3.75Å; P49-W67 HydrophobicContact CG-CE3 4.23Å; P49-W67 HydrophobicContact CG-CG 3.6Å; A55-W67 HydrophobicContact CB-CE3 4.26Å; A55-W67 HydrophobicContact CB-CZ3 4.09Å; K57-W67 HydrophobicContact CB-CD2 4.41Å; K57-W67 HydrophobicContact CB-CE3 4.09Å; K57-W67 HydrophobicContact CB-CH2 4.12Å; K57-W67 HydrophobicContact CB-CZ2 4.42Å; K57-W67 HydrophobicContact CB-CZ3 3.95Å; K57-W67 HydrophobicContact CD-CH2 4.07Å; K57-W67 HydrophobicContact CD-CZ2 3.83Å; K57-W67 HydrophobicContact CG-CD2 4.35Å; K57-W67 HydrophobicContact CG-CH2 4.27Å; K57-W67 HydrophobicContact CG-CZ2 4.09Å; K57-W67 HydrophobicContact CG-CZ3 4.47Å
68M98.6Very high97.5Very high24 Ų2456.8 Ų56.812%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-126.4135174.6-48.6-174.459.500109.3A55 V56 V58 K66 I74 Y77 M78A55-M68 WeakPolarHBondContact CA-O 3.42Å; V56-M68 HydrophobicContact CB-CB 4.33Å; V56-M68 PolarHBondContact N-O 2.81Å; V56-M68 PolarHBondContact O-N 3.3Å; V58-M68 HydrophobicContact CG2-SD 4.24Å; K66-M68 HydrophobicContact CD-CG 4.47Å; K66-M68 HydrophobicContact CG-CG 4.29Å; M68-I74 HydrophobicContact CB-CD1 4.07Å; M68-I74 HydrophobicContact CB-CG1 3.77Å; M68-I74 HydrophobicContact CE-CG1 4.48Å; M68-I74 WeakPolarHBondContact O-CD1 3.38Å; M68-Y77 HydrophobicContact CE-CD1 3.51Å; M68-Y77 HydrophobicContact CE-CD2 4.38Å; M68-Y77 HydrophobicContact CE-CE1 3.96Å; M68-Y77 HydrophobicContact CE-CG 3.73Å; M68-Y77 HydrophobicContact SD-CD1 4.21Å; M68-Y77 HydrophobicContact SD-CE1 4.2Å; M68-M78 HydrophobicContact SD-CE 4.05Å
69L98.2Very high97.5Very high74 Ų7456.3 Ų56.339%0.38729%0.287SS..EExtended strand (participates in β ladder)trans-125.4169.3-179.1-55.9177.8000109.5P49 A55P49-L69 HydrophobicContact CB-CD1 4.15Å; P49-L69 VanDerWaalsContact O-CD1 3.3Å; P49-L69 WeakPolarHBondContact O-CD1 3.3Å; P49-L69 WeakPolarHBondContact O-CD2 3.45Å; A55-L69 HydrophobicContact CB-CD2 3.74Å
70E98.3Very high97.5Very high88 Ų8861.5 Ų61.541%0.41131%0.307SS..  trans66.8106.7-174.9-177.138.5-123.400113.4L72 A73 I74E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.08Å; E70-L72 VanDerWaalsContact O-N 3.17Å; E70-L72 PolarHBondContact OE1-N 2.69Å; E70-A73 HydrophobicContact CB-CB 4.05Å; E70-A73 HydrophobicContact CG-CB 3.99Å; E70-A73 WeakPolarHBondContact O-CB 3.32Å; E70-A73 PolarHBondContact O-N 2.86Å; E70-A73 VanDerWaalsContact O-N 3.08Å; E70-I74 VanDerWaalsContact O-CG1 3.32Å; E70-I74 WeakPolarHBondContact O-CG1 3.13Å; E70-I74 PolarHBondContact O-N 3.38Å
71S98.7Very high97.7Very high4 Ų463.5 Ų63.53%0.02831%0.313CS..Hα-helixtrans-50.4-49.2-167.8330000113.2R16 I74 A75R16-S71 WeakPolarHBondContact O-CB 3.35Å; S71-I74 PolarHBondContact O-N 2.89Å; S71-A75 WeakPolarHBondContact O-CB 3.13Å; S71-A75 PolarHBondContact O-N 3.29Å
72L98.8Very high97.9Very high13 Ų1361.6 Ų61.67%0.06830%0.301CS..Hα-helixtrans-85.6-16.9-172.7-82.8-168000113E70 A75 R76 I99 E103 V162E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 3.08Å; E70-L72 VanDerWaalsContact O-N 3.17Å; E70-L72 PolarHBondContact OE1-N 2.69Å; L72-A75 HydrophobicContact CD2-CB 4.29Å; L72-R76 WeakPolarHBondContact O-CB 3.41Å; L72-R76 VanDerWaalsContact O-CG 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.49Å; L72-R76 PolarHBondContact O-N 2.77Å; L72-R76 VanDerWaalsContact O-N 3.12Å; L72-R76 PolarHBondContact O-NH1 3.4Å; L72-I99 HydrophobicContact CD1-CG2 4.23Å; L72-E103 HydrophobicContact CD1-CG 3.48Å; L72-E103 VanDerWaalsContact CD1-CG 3.48Å; L72-E103 VanDerWaalsContact CD1-OE2 3.26Å; L72-E103 WeakPolarHBondContact CD1-OE2 3.44Å; L72-V162 HydrophobicContact CD2-CG2 3.89Å
73A98.9Very high98.1Very high52 Ų5261.5 Ų61.543%0.4330%0.301SS..Hα-helixtrans-71.2-43.2165.600000110.4E70 R76 Y77E70-A73 HydrophobicContact CB-CB 4.05Å; E70-A73 HydrophobicContact CG-CB 3.99Å; E70-A73 WeakPolarHBondContact O-CB 3.32Å; E70-A73 PolarHBondContact O-N 2.86Å; E70-A73 VanDerWaalsContact O-N 3.08Å; A73-R76 PolarHBondContact O-N 3.45Å; A73-Y77 WeakPolarHBondContact O-CB 3.46Å; A73-Y77 PolarHBondContact O-N 2.83Å
74I98.8Very high98.3Very high1 Ų159.8 Ų59.81%0.00528%0.28CS..Hα-helixtrans-62.9-48.7175.5-59.8164.4000110.5I20 V56 M68 E70 S71 R76 Y77 M78I20-I74 HydrophobicContact CD1-CB 3.9Å; I20-I74 HydrophobicContact CD1-CD1 3.95Å; I20-I74 HydrophobicContact CD1-CG2 3.86Å; I20-I74 HydrophobicContact CG1-CB 4.19Å; I20-I74 HydrophobicContact CG1-CG2 4.03Å; I20-I74 HydrophobicContact CG2-CG2 4.09Å; V56-I74 HydrophobicContact CB-CD1 4.29Å; V56-I74 HydrophobicContact CB-CG2 4.32Å; V56-I74 HydrophobicContact CG2-CD1 4.03Å; V56-I74 HydrophobicContact CG2-CG2 3.87Å; M68-I74 HydrophobicContact CB-CD1 4.07Å; M68-I74 HydrophobicContact CB-CG1 3.77Å; M68-I74 HydrophobicContact CE-CG1 4.48Å; M68-I74 WeakPolarHBondContact O-CD1 3.38Å; E70-I74 VanDerWaalsContact O-CG1 3.32Å; E70-I74 WeakPolarHBondContact O-CG1 3.13Å; E70-I74 PolarHBondContact O-N 3.38Å; S71-I74 PolarHBondContact O-N 2.89Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.5Å; I74-Y77 WeakPolarHBondContact O-CB 3.43Å; I74-Y77 PolarHBondContact O-N 3.41Å; I74-M78 HydrophobicContact CG2-CE 4.46Å; I74-M78 HydrophobicContact CG2-CG 4.32Å; I74-M78 WeakPolarHBondContact O-CG 3.33Å; I74-M78 PolarHBondContact O-N 3.43Å
75A98.9Very high98.4Very high0 Ų054.4 Ų54.40%026%0.255CS..Hα-helixtrans-60.2-43.4179.900000111.4I20 S71 L72 M78 A79 L158I20-A75 HydrophobicContact CG1-CB 4.2Å; S71-A75 WeakPolarHBondContact O-CB 3.13Å; S71-A75 PolarHBondContact O-N 3.29Å; L72-A75 HydrophobicContact CD2-CB 4.29Å; A75-M78 PolarHBondContact O-N 2.84Å; A75-A79 WeakPolarHBondContact O-CB 3.26Å; A75-A79 PolarHBondContact O-N 3.15Å; A75-L158 HydrophobicContact CB-CD1 3.81Å; A75-L158 HydrophobicContact CB-CD2 4.11Å
76R98.9Very high98.5Very high69 Ų6951.8 Ų51.826%0.2624%0.242SC..Hα-helixtrans-60.4-44.3173-79.7179.1179.881.5-3.8112.8L72 A73 I74 A79 K80 M85 E96 I99 L158L72-R76 WeakPolarHBondContact O-CB 3.41Å; L72-R76 VanDerWaalsContact O-CG 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.49Å; L72-R76 PolarHBondContact O-N 2.77Å; L72-R76 VanDerWaalsContact O-N 3.12Å; L72-R76 PolarHBondContact O-NH1 3.4Å; A73-R76 PolarHBondContact O-N 3.45Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.5Å; R76-A79 PolarHBondContact O-N 2.9Å; R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.34Å; R76-K80 PolarHBondContact O-N 2.8Å; R76-M85 HydrophobicContact CG-CE 4.04Å; R76-M85 HydrophobicContact CG-SD 4.32Å; R76-E96 WeakPolarHBondContact CD-OE1 3.48Å; R76-E96 IonicContact CZ-OE1 3.71Å; R76-E96 IonicContact CZ-OE2 3.35Å; R76-E96 VanDerWaalsContact NE-CD 3.29Å; R76-E96 IonicContact NE-OE1 3.87Å; R76-E96 PolarHBondContact NE-OE1 2.93Å; R76-E96 IonicContact NE-OE2 2.86Å; R76-E96 PolarHBondContact NE-OE2 2.89Å; R76-E96 IonicContact NH2-OE2 2.84Å; R76-E96 PolarHBondContact NH2-OE2 3.36Å; R76-I99 VanDerWaalsContact NH2-CG2 3.31Å; R76-L158 HydrophobicContact CB-CD2 4.29Å; R76-L158 HydrophobicContact CG-CD2 3.63Å
77Y98.7Very high98.5Very high95 Ų9553 Ų5337%0.37325%0.25SC..Hα-helixtrans-59.7-49.4177.5171.3-92.8000111.6M68 A73 I74 K80 K81M68-Y77 HydrophobicContact CE-CD1 3.51Å; M68-Y77 HydrophobicContact CE-CD2 4.38Å; M68-Y77 HydrophobicContact CE-CE1 3.96Å; M68-Y77 HydrophobicContact CE-CG 3.73Å; M68-Y77 HydrophobicContact SD-CD1 4.21Å; M68-Y77 HydrophobicContact SD-CE1 4.2Å; A73-Y77 WeakPolarHBondContact O-CB 3.46Å; A73-Y77 PolarHBondContact O-N 2.83Å; I74-Y77 WeakPolarHBondContact O-CB 3.43Å; I74-Y77 PolarHBondContact O-N 3.41Å; Y77-K80 PolarHBondContact O-N 2.74Å; Y77-K81 WeakPolarHBondContact O-CB 3.3Å; Y77-K81 PolarHBondContact O-N 3.4Å
78M98.5Very high98.5Very high3 Ų352 Ų522%0.01525%0.253CS..Hα-helixtrans-65.5-44179.2-63.2-56-178.300110.7I6 T23 L24 V56 V58 M68 I74 A75 K80 K81 H82I6-M78 HydrophobicContact CD1-CE 4.4Å; T23-M78 HydrophobicContact CG2-CB 3.76Å; L24-M78 HydrophobicContact CD2-CG 4.28Å; L24-M78 HydrophobicContact CD2-SD 4.32Å; V56-M78 HydrophobicContact CG1-CE 4.48Å; V58-M78 HydrophobicContact CG2-CE 4.49Å; M68-M78 HydrophobicContact SD-CE 4.05Å; I74-M78 HydrophobicContact CG2-CE 4.46Å; I74-M78 HydrophobicContact CG2-CG 4.32Å; I74-M78 WeakPolarHBondContact O-CG 3.33Å; I74-M78 PolarHBondContact O-N 3.43Å; A75-M78 PolarHBondContact O-N 2.84Å; M78-K80 VanDerWaalsContact C-N 3.34Å; M78-K80 PolarHBondContact O-N 3.21Å; M78-K81 PolarHBondContact O-N 3.13Å; M78-H82 PolarHBondContact O-CD2 2.83Å; M78-H82 PolarHBondContact O-N 3.42Å; M78-H82 VanDerWaalsContact O-N 3.12Å
79A98.8Very high98.5Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-60.6-44.1177.500000111.6T23 A75 R76 H82 H83 M84 M85 L158T23-A79 HydrophobicContact CG2-CB 3.97Å; A75-A79 WeakPolarHBondContact O-CB 3.26Å; A75-A79 PolarHBondContact O-N 3.15Å; R76-A79 PolarHBondContact O-N 2.9Å; A79-H82 CarbonylContact O-C 3.53Å; A79-H82 PolarHBondContact O-N 3.49Å; A79-H82 VanDerWaalsContact O-N 3.15Å; A79-H83 PolarHBondContact O-N 3.36Å; A79-H83 VanDerWaalsContact O-N 3.08Å; A79-M84 HydrophobicContact CB-CB 3.93Å; A79-M84 PolarHBondContact O-N 3.44Å; A79-M85 HydrophobicContact CB-CG 3.72Å; A79-M85 HydrophobicContact CB-SD 3.78Å; A79-L158 HydrophobicContact CB-CB 3.79Å; A79-L158 HydrophobicContact CB-CD2 4.17Å; A79-L158 HydrophobicContact CB-CG 4.39Å
80K98.7Very high98.5Very high143 Ų14360.2 Ų60.262%0.62229%0.294SS*.Hα-helixtrans-63.1-43.3176.7-179.155.3177.2169.90111.9R76 Y77 M78 H82 H83 M85R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.34Å; R76-K80 PolarHBondContact O-N 2.8Å; Y77-K80 PolarHBondContact O-N 2.74Å; M78-K80 VanDerWaalsContact C-N 3.34Å; M78-K80 PolarHBondContact O-N 3.21Å; K80-H82 PolarHBondContact O-N 3.42Å; K80-H83 PolarHBondContact O-N 3.47Å; K80-M85 HydrophobicContact CB-CG 4.02Å; K80-M85 HydrophobicContact CD-CB 4.36Å
81K97.5Very high98.5Very high91 Ų9158.6 Ų58.640%0.39629%0.286SS..Hα-helixtrans-59.1-26.7176.1-172176.8178.8-178.30112.4E4 Y77 M78E4-K81 IonicContact OE2-NZ 3.91Å; E4-K81 PolarHBondContact OE2-NZ 3.34Å; Y77-K81 WeakPolarHBondContact O-CB 3.3Å; Y77-K81 PolarHBondContact O-N 3.4Å; M78-K81 PolarHBondContact O-N 3.13Å
82H98.1Very high98.5Very high55 Ų5563.7 Ų63.726%0.25531%0.305SS..THydrogen-bonded Turntrans-114.724.2-176.5-62.8-66.6000113.9A27 V29 M78 A79 K80 M84A27-H82 HydrophobicContact CB-CB 3.76Å; V29-H82 VanDerWaalsContact CG2-CE1 3.49Å; V29-H82 WeakPolarHBondContact CG2-CE1 3.4Å; M78-H82 PolarHBondContact O-CD2 2.83Å; M78-H82 PolarHBondContact O-N 3.42Å; M78-H82 VanDerWaalsContact O-N 3.12Å; A79-H82 CarbonylContact O-C 3.53Å; A79-H82 PolarHBondContact O-N 3.49Å; A79-H82 VanDerWaalsContact O-N 3.15Å; K80-H82 PolarHBondContact O-N 3.42Å; H82-M84 VanDerWaalsContact C-N 3.3Å; H82-M84 HydrophobicContact CB-CE 3.72Å; H82-M84 PolarHBondContact O-N 2.89Å
83H98.4Very high98.5Very high153 Ų15370.2 Ų70.271%0.70833%0.33SS*.THydrogen-bonded Turntrans59.333174.2-49.6-78.8000115.1A79 K80A79-H83 PolarHBondContact O-N 3.36Å; A79-H83 VanDerWaalsContact O-N 3.08Å; K80-H83 PolarHBondContact O-N 3.47Å
84M98.8Very high98.5Very high11 Ų1169.6 Ų69.65%0.05432%0.323CS..  trans-109.626.4-180-65.9-172.2-79.900112.8T23 A26 A27 A79 H82 V156 T157 L158T23-M84 HydrophobicContact CG2-CE 3.6Å; T23-M84 WeakPolarHBondContact O-CE 3.49Å; A26-M84 HydrophobicContact CB-CE 4.47Å; A26-M84 HydrophobicContact CB-SD 3.86Å; A27-M84 HydrophobicContact CB-CE 3.83Å; A79-M84 HydrophobicContact CB-CB 3.93Å; A79-M84 PolarHBondContact O-N 3.44Å; H82-M84 VanDerWaalsContact C-N 3.3Å; H82-M84 HydrophobicContact CB-CE 3.72Å; H82-M84 PolarHBondContact O-N 2.89Å; M84-V156 WeakPolarHBondContact CG-O 3.46Å; M84-V156 HydrophobicContact SD-CG1 4.27Å; M84-T157 CarbonylContact O-C 3.33Å; M84-T157 VanDerWaalsContact O-CA 3.29Å; M84-T157 WeakPolarHBondContact O-CA 3.48Å; M84-L158 PolarHBondContact O-N 3.08Å
85M98.8Very high98.5Very high8 Ų869.5 Ų69.54%0.03932%0.322CS..SBendtrans-122.426.1178.5-71-60.1-60.300112.4R76 A79 K80 Y92 V95 E96 L158R76-M85 HydrophobicContact CG-CE 4.04Å; R76-M85 HydrophobicContact CG-SD 4.32Å; A79-M85 HydrophobicContact CB-CG 3.72Å; A79-M85 HydrophobicContact CB-SD 3.78Å; K80-M85 HydrophobicContact CB-CG 4.02Å; K80-M85 HydrophobicContact CD-CB 4.36Å; M85-Y92 HydrophobicContact CB-CD2 4.39Å; M85-Y92 HydrophobicContact CE-CD2 3.96Å; M85-Y92 HydrophobicContact CE-CE2 3.58Å; M85-Y92 WeakPolarHBondContact O-CA 3.2Å; M85-Y92 WeakPolarHBondContact O-CD2 3.48Å; M85-V95 HydrophobicContact CE-CG1 3.77Å; M85-V95 HydrophobicContact SD-CG1 3.95Å; M85-E96 HydrophobicContact CE-CG 4.4Å; M85-E96 VanDerWaalsContact CE-OE1 3.31Å; M85-E96 WeakPolarHBondContact CE-OE1 3.36Å; M85-L158 HydrophobicContact SD-CB 3.64Å; M85-L158 HydrophobicContact SD-CD2 3.77Å; M85-L158 HydrophobicContact SD-CG 4.35Å
86G98.2Very high98.5Very high14 Ų1471.3 Ų71.314%0.14433%0.331CS..  trans80.6154.2-17200000113.2
87E97.2Very high98.5Very high130 Ų13071.3 Ų71.361%0.60733%0.333SS*.SBendtrans-98.2-18.4178.2-64.3-173.2-178.400112.7E91 K155E87-E91 PolarHBondContact N-OE2 2.93Å; E87-K155 IonicContact OE1-NZ 3.54Å; E87-K155 PolarHBondContact OE1-NZ 2.99Å; E87-K155 IonicContact OE2-NZ 3.53Å
88T98.1Very high98.5Very high65 Ų6567 Ų6740%0.39932%0.316SS..SBendtrans-123.2166.917483.80000111.7E90 E91 Y92T88-E90 VanDerWaalsContact C-N 3.26Å; T88-E90 WeakPolarHBondContact CB-OE2 3.5Å; T88-E90 PolarHBondContact O-N 3Å; T88-E90 PolarHBondContact OG1-N 3.48Å; T88-E90 PolarHBondContact OG1-OE2 3.3Å; T88-E91 PolarHBondContact O-N 3.3Å; T88-E91 PolarHBondContact OG1-N 3.36Å; T88-Y92 WeakPolarHBondContact O-CB 3.29Å; T88-Y92 PolarHBondContact O-N 3.28Å
89D98.6Very high98.5Very high135 Ų13566.9 Ų66.972%0.72232%0.315SS*.Hα-helixtrans-63.3-33.9176.2-71.5-12.8000111.6Y92 Y93D89-Y92 PolarHBondContact O-N 2.89Å; D89-Y93 WeakPolarHBondContact O-CB 3.41Å; D89-Y93 PolarHBondContact O-N 2.96Å
90E98.5Very high98.5Very high135 Ų13568.5 Ų68.563%0.63133%0.332SS*.Hα-helixtrans-68.3-40.4175.5-6175.8-164.700112.3T88 S94T88-E90 VanDerWaalsContact C-N 3.26Å; T88-E90 WeakPolarHBondContact CB-OE2 3.5Å; T88-E90 PolarHBondContact O-N 3Å; T88-E90 PolarHBondContact OG1-N 3.48Å; T88-E90 PolarHBondContact OG1-OE2 3.3Å; E90-S94 WeakPolarHBondContact O-CB 3.26Å; E90-S94 PolarHBondContact O-N 3.18Å; E90-S94 PolarHBondContact O-OG 3.45Å
91E98.7Very high98.5Very high54 Ų5462.8 Ų62.825%0.25231%0.308SS..Hα-helixtrans-67.3-42.9173.1-70.1-169.4160.900111E87 T88 Y93 S94 V95 V152E87-E91 PolarHBondContact N-OE2 2.93Å; T88-E91 PolarHBondContact O-N 3.3Å; T88-E91 PolarHBondContact OG1-N 3.36Å; E91-Y93 PolarHBondContact O-N 3.12Å; E91-S94 WeakPolarHBondContact O-CB 3.3Å; E91-S94 PolarHBondContact O-N 2.83Å; E91-S94 VanDerWaalsContact O-N 3.08Å; E91-V95 WeakPolarHBondContact O-CG2 3.44Å; E91-V95 PolarHBondContact O-N 3.47Å; E91-V152 HydrophobicContact CB-CG1 3.82Å; E91-V152 HydrophobicContact CG-CG1 3.93Å
92Y98.8Very high98.6Very high110 Ų11058.5 Ų58.543%0.43129%0.289SS..Hα-helixtrans-57.7-47.3175.2173.2-109000111.5M85 T88 D89 S94 V95 E96M85-Y92 HydrophobicContact CB-CD2 4.39Å; M85-Y92 HydrophobicContact CE-CD2 3.96Å; M85-Y92 HydrophobicContact CE-CE2 3.58Å; M85-Y92 WeakPolarHBondContact O-CA 3.2Å; M85-Y92 WeakPolarHBondContact O-CD2 3.48Å; T88-Y92 WeakPolarHBondContact O-CB 3.29Å; T88-Y92 PolarHBondContact O-N 3.28Å; D89-Y92 PolarHBondContact O-N 2.89Å; Y92-S94 VanDerWaalsContact C-N 3.28Å; Y92-S94 PolarHBondContact O-N 3.46Å; Y92-V95 PolarHBondContact O-N 3.38Å; Y92-E96 HydrophobicContact CD2-CG 4.1Å; Y92-E96 HydrophobicContact CE1-CG 4Å; Y92-E96 HydrophobicContact CE2-CG 3.51Å; Y92-E96 VanDerWaalsContact CE2-OE1 3.27Å; Y92-E96 WeakPolarHBondContact CE2-OE1 3.47Å; Y92-E96 VanDerWaalsContact CZ-CG 3.44Å; Y92-E96 WeakPolarHBondContact O-CG 2.95Å; Y92-E96 PolarHBondContact O-N 3.08Å; Y92-E96 PolarHBondContact OH-OE1 3.31Å
93Y98.8Very high98.6Very high150 Ų15057.3 Ų57.359%0.58828%0.284SS*.Hα-helixtrans-55.7-45173.1166-99.4000111.6D89 E91 V95 E96 K97D89-Y93 WeakPolarHBondContact O-CB 3.41Å; D89-Y93 PolarHBondContact O-N 2.96Å; E91-Y93 PolarHBondContact O-N 3.12Å; Y93-V95 PolarHBondContact O-N 3.4Å; Y93-E96 PolarHBondContact O-N 3.45Å; Y93-K97 HydrophobicContact CE1-CD 4.28Å; Y93-K97 VanDerWaalsContact O-CB 3.27Å; Y93-K97 WeakPolarHBondContact O-CB 3.49Å; Y93-K97 PolarHBondContact O-N 3.03Å
94S98.8Very high98.7Very high39 Ų3953.8 Ų53.827%0.27327%0.27SS..Hα-helixtrans-65.6-38.9-179.1-59.80000112.1E90 E91 Y92 L98E90-S94 WeakPolarHBondContact O-CB 3.26Å; E90-S94 PolarHBondContact O-N 3.18Å; E90-S94 PolarHBondContact O-OG 3.45Å; E91-S94 WeakPolarHBondContact O-CB 3.3Å; E91-S94 PolarHBondContact O-N 2.83Å; E91-S94 VanDerWaalsContact O-N 3.08Å; Y92-S94 VanDerWaalsContact C-N 3.28Å; Y92-S94 PolarHBondContact O-N 3.46Å; S94-L98 PolarHBondContact O-N 2.81Å; S94-L98 VanDerWaalsContact O-N 3.11Å
95V98.9Very high98.7Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-61.7-52.1174168.40000109.7M85 E91 Y92 Y93 K97 L98 I99 V152 T157 A159M85-V95 HydrophobicContact CE-CG1 3.77Å; M85-V95 HydrophobicContact SD-CG1 3.95Å; E91-V95 WeakPolarHBondContact O-CG2 3.44Å; E91-V95 PolarHBondContact O-N 3.47Å; Y92-V95 PolarHBondContact O-N 3.38Å; Y93-V95 PolarHBondContact O-N 3.4Å; V95-K97 PolarHBondContact O-N 3.29Å; V95-L98 PolarHBondContact O-N 3.14Å; V95-I99 HydrophobicContact CG1-CD1 3.77Å; V95-I99 VanDerWaalsContact O-CG1 3.32Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.38Å; V95-V152 HydrophobicContact CB-CG2 4.46Å; V95-V152 HydrophobicContact CG2-CB 4Å; V95-V152 HydrophobicContact CG2-CG1 4.3Å; V95-V152 HydrophobicContact CG2-CG2 3.7Å; V95-T157 HydrophobicContact CG2-CG2 3.8Å; V95-A159 HydrophobicContact CB-CB 4.37Å; V95-A159 HydrophobicContact CG1-CB 4.03Å; V95-A159 HydrophobicContact CG2-CB 4.49Å
96E98.9Very high98.6Very high38 Ų3853.4 Ų53.418%0.17827%0.268CS..Hα-helixtrans-64.4-38.8-178.5-70.3-69-176.400112.6R76 M85 Y92 Y93 L98 I99 G100R76-E96 WeakPolarHBondContact CD-OE1 3.48Å; R76-E96 IonicContact CZ-OE1 3.71Å; R76-E96 IonicContact CZ-OE2 3.35Å; R76-E96 VanDerWaalsContact NE-CD 3.29Å; R76-E96 IonicContact NE-OE1 3.87Å; R76-E96 PolarHBondContact NE-OE1 2.93Å; R76-E96 IonicContact NE-OE2 2.86Å; R76-E96 PolarHBondContact NE-OE2 2.89Å; R76-E96 IonicContact NH2-OE2 2.84Å; R76-E96 PolarHBondContact NH2-OE2 3.36Å; M85-E96 HydrophobicContact CE-CG 4.4Å; M85-E96 VanDerWaalsContact CE-OE1 3.31Å; M85-E96 WeakPolarHBondContact CE-OE1 3.36Å; Y92-E96 HydrophobicContact CD2-CG 4.1Å; Y92-E96 HydrophobicContact CE1-CG 4Å; Y92-E96 HydrophobicContact CE2-CG 3.51Å; Y92-E96 VanDerWaalsContact CE2-OE1 3.27Å; Y92-E96 WeakPolarHBondContact CE2-OE1 3.47Å; Y92-E96 VanDerWaalsContact CZ-CG 3.44Å; Y92-E96 WeakPolarHBondContact O-CG 2.95Å; Y92-E96 PolarHBondContact O-N 3.08Å; Y92-E96 PolarHBondContact OH-OE1 3.31Å; Y93-E96 PolarHBondContact O-N 3.45Å; E96-L98 PolarHBondContact O-N 3.05Å; E96-I99 PolarHBondContact O-N 2.98Å; E96-G100 PolarHBondContact O-N 2.71Å
97K98.8Very high98.6Very high69 Ų6957.1 Ų57.130%0.328%0.281SS..Hα-helixtrans-57.8-49.7174.5-179.2-170.3621580110.7Y93 V95 G100 Q101 S142Y93-K97 HydrophobicContact CE1-CD 4.28Å; Y93-K97 VanDerWaalsContact O-CB 3.27Å; Y93-K97 WeakPolarHBondContact O-CB 3.49Å; Y93-K97 PolarHBondContact O-N 3.03Å; V95-K97 PolarHBondContact O-N 3.29Å; K97-G100 PolarHBondContact O-N 3.08Å; K97-Q101 WeakPolarHBondContact O-CG 3.44Å; K97-Q101 PolarHBondContact O-N 3.45Å; K97-S142 WeakPolarHBondContact CE-OG 3.4Å; K97-S142 PolarHBondContact NZ-OG 3.05Å; K97-S142 VanDerWaalsContact NZ-OG 3.11Å
98L98.9Very high98.7Very high3 Ų351.6 Ų51.62%0.01626%0.256CS..Hα-helixtrans-69.7-34.8-178.1-164.364000111.9S94 V95 E96 G100 Q101 A102 I139 L143 A151 A159 L163S94-L98 PolarHBondContact O-N 2.81Å; S94-L98 VanDerWaalsContact O-N 3.11Å; V95-L98 PolarHBondContact O-N 3.14Å; E96-L98 PolarHBondContact O-N 3.05Å; L98-G100 VanDerWaalsContact C-N 3.35Å; L98-Q101 VanDerWaalsContact CD1-OE1 3.31Å; L98-Q101 PolarHBondContact O-N 2.73Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.41Å; L98-I139 HydrophobicContact CD1-CB 4.5Å; L98-I139 HydrophobicContact CD1-CG1 4.38Å; L98-I139 HydrophobicContact CD1-CG2 4.17Å; L98-L143 HydrophobicContact CD2-CD2 4.09Å; L98-A151 HydrophobicContact CD2-CB 3.44Å; L98-A151 VanDerWaalsContact CD2-CB 3.44Å; L98-A159 HydrophobicContact CB-CB 4.03Å; L98-A159 HydrophobicContact CD2-CB 4.09Å; L98-A159 HydrophobicContact CG-CB 4.45Å; L98-L163 HydrophobicContact CD2-CD2 4.14Å
99I98.9Very high98.7Very high1 Ų149 Ų491%0.00524%0.238CC..Hα-helixtrans-60.4-45.8171.1-67.5167.2000110.3L72 R76 V95 E96 Q101 A102 E103 L158 A159 V162L72-I99 HydrophobicContact CD1-CG2 4.23Å; R76-I99 VanDerWaalsContact NH2-CG2 3.31Å; V95-I99 HydrophobicContact CG1-CD1 3.77Å; V95-I99 VanDerWaalsContact O-CG1 3.32Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.38Å; E96-I99 PolarHBondContact O-N 2.98Å; I99-Q101 PolarHBondContact O-N 3.45Å; I99-A102 PolarHBondContact O-N 3.29Å; I99-E103 HydrophobicContact CG2-CG 4.29Å; I99-E103 WeakPolarHBondContact O-CB 3.36Å; I99-E103 WeakPolarHBondContact O-CG 3.44Å; I99-E103 PolarHBondContact O-N 2.98Å; I99-L158 HydrophobicContact CD1-CB 4.12Å; I99-L158 HydrophobicContact CD1-CD2 3.76Å; I99-L158 HydrophobicContact CD1-CG 3.77Å; I99-A159 HydrophobicContact CG1-CB 4.25Å; I99-V162 HydrophobicContact CG1-CB 4.43Å; I99-V162 HydrophobicContact CG1-CG2 4.25Å; I99-V162 HydrophobicContact CG2-CG1 4.45Å
100G98.8Very high98.6Very high34 Ų3444.5 Ų44.535%0.35121%0.213SC..Hα-helixtrans-59.3-45.8176.800000112.6E96 K97 L98 A102 E103 D104E96-G100 PolarHBondContact O-N 2.71Å; K97-G100 PolarHBondContact O-N 3.08Å; L98-G100 VanDerWaalsContact C-N 3.35Å; G100-A102 PolarHBondContact O-N 3.41Å; G100-E103 PolarHBondContact O-N 3.01Å; G100-D104 PolarHBondContact O-N 2.93Å
101Q98.9Very high98.6Very high24 Ų2442.4 Ų42.411%0.11220%0.202CC..Hα-helixtrans-62.8-40.4176.5-69.9172.8-24.900112.6K97 L98 I99 D104 V105 I139 S142K97-Q101 WeakPolarHBondContact O-CG 3.44Å; K97-Q101 PolarHBondContact O-N 3.45Å; L98-Q101 VanDerWaalsContact CD1-OE1 3.31Å; L98-Q101 PolarHBondContact O-N 2.73Å; I99-Q101 PolarHBondContact O-N 3.45Å; Q101-D104 PolarHBondContact O-N 3.47Å; Q101-V105 PolarHBondContact O-N 3.42Å; Q101-I139 HydrophobicContact CB-CG1 3.92Å; Q101-S142 VanDerWaalsContact CD-OG 3.29Å; Q101-S142 PolarHBondContact NE2-OG 3.47Å; Q101-S142 VanDerWaalsContact NE2-OG 3.1Å; Q101-S142 VanDerWaalsContact OE1-CB 3.3Å; Q101-S142 PolarHBondContact OE1-OG 3.01Å
102A98.8Very high98.6Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-67.3-41.5175.800000111.3L98 I99 G100 D104 V105 E106 V162 V166L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.41Å; I99-A102 PolarHBondContact O-N 3.29Å; G100-A102 PolarHBondContact O-N 3.41Å; A102-D104 VanDerWaalsContact C-N 3.3Å; A102-D104 PolarHBondContact O-N 3.03Å; A102-V105 WeakPolarHBondContact O-CB 3.4Å; A102-V105 PolarHBondContact O-N 2.92Å; A102-V105 VanDerWaalsContact O-N 3.14Å; A102-E106 PolarHBondContact O-N 3.5Å; A102-V162 HydrophobicContact CB-CG1 3.8Å; A102-V166 HydrophobicContact CB-CB 4.45Å; A102-V166 HydrophobicContact CB-CG2 4.04Å; A102-V166 WeakPolarHBondContact O-CG1 3.31Å
103E98.8Very high98.4Very high31 Ų3137.1 Ų37.115%0.14518%0.183CC..Hα-helixtrans-65.2-32.2175.8-75.7-64.1102.300112.6L72 I99 G100 V105 E106 H107L72-E103 HydrophobicContact CD1-CG 3.48Å; L72-E103 VanDerWaalsContact CD1-CG 3.48Å; L72-E103 VanDerWaalsContact CD1-OE2 3.26Å; L72-E103 WeakPolarHBondContact CD1-OE2 3.44Å; I99-E103 HydrophobicContact CG2-CG 4.29Å; I99-E103 WeakPolarHBondContact O-CB 3.36Å; I99-E103 WeakPolarHBondContact O-CG 3.44Å; I99-E103 PolarHBondContact O-N 2.98Å; G100-E103 PolarHBondContact O-N 3.01Å; E103-V105 VanDerWaalsContact C-N 3.3Å; E103-V105 PolarHBondContact O-N 3.43Å; E103-E106 CarbonylContact O-C 3.34Å; E103-E106 WeakPolarHBondContact O-CB 3.29Å; E103-E106 PolarHBondContact O-N 3.34Å; E103-H107 PolarHBondContact O-N 3.32Å; E103-H107 PolarHBondContact O-ND1 3.06Å
104D98.8Very high98.1Very high79 Ų7939 Ų3942%0.42220%0.199SC..Hα-helixtrans-63.1-37.5172.9-76.3-20.7000111.9G100 Q101 A102 H107 E108 L135G100-D104 PolarHBondContact O-N 2.93Å; Q101-D104 PolarHBondContact O-N 3.47Å; A102-D104 VanDerWaalsContact C-N 3.3Å; A102-D104 PolarHBondContact O-N 3.03Å; D104-H107 IonicContact OD1-ND1 2.75Å; D104-E108 PolarHBondContact O-N 3.07Å; D104-L135 HydrophobicContact CB-CD1 4.12Å; D104-L135 HydrophobicContact CB-CD2 3.76Å
105V98.8Very high97.9Very high0 Ų041.1 Ų41.10%020%0.203CC..Hα-helixtrans-66.7-45.2171.1173.90000110.2Q101 A102 E103 H107 E108 Y109 L135 F136 I139 V166 V170Q101-V105 PolarHBondContact O-N 3.42Å; A102-V105 WeakPolarHBondContact O-CB 3.4Å; A102-V105 PolarHBondContact O-N 2.92Å; A102-V105 VanDerWaalsContact O-N 3.14Å; E103-V105 VanDerWaalsContact C-N 3.3Å; E103-V105 PolarHBondContact O-N 3.43Å; V105-H107 PolarHBondContact O-N 3.4Å; V105-E108 WeakPolarHBondContact O-CA 3.3Å; V105-E108 WeakPolarHBondContact O-CB 3.42Å; V105-E108 PolarHBondContact O-N 2.81Å; V105-Y109 PolarHBondContact O-N 2.63Å; V105-L135 HydrophobicContact CG2-CB 3.49Å; V105-L135 VanDerWaalsContact CG2-CB 3.49Å; V105-L135 HydrophobicContact CG2-CD1 4.04Å; V105-L135 HydrophobicContact CG2-CG 4.38Å; V105-F136 HydrophobicContact CB-CE2 4.48Å; V105-F136 HydrophobicContact CG1-CD2 4.38Å; V105-F136 HydrophobicContact CG1-CE2 3.65Å; V105-F136 HydrophobicContact CG2-CD2 3.98Å; V105-F136 HydrophobicContact CG2-CE2 3.98Å; V105-I139 HydrophobicContact CG2-CD1 3.79Å; V105-V166 HydrophobicContact CB-CG1 3.53Å; V105-V166 HydrophobicContact CG1-CG1 3.34Å; V105-V166 HydrophobicContact CG2-CG1 4.4Å; V105-V170 HydrophobicContact CG1-CG2 3.62Å
106E98.3Very high97.8Very high10 Ų1045.3 Ų45.35%0.04723%0.231CC..Hα-helixtrans-59.9-35.5-179.5-167.864.9-174.500111.5A102 E103 E108 Y109 H110 V166 H169A102-E106 PolarHBondContact O-N 3.5Å; E103-E106 CarbonylContact O-C 3.34Å; E103-E106 WeakPolarHBondContact O-CB 3.29Å; E103-E106 PolarHBondContact O-N 3.34Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 3.42Å; E106-Y109 PolarHBondContact O-N 3.13Å; E106-H110 VanDerWaalsContact CG-CE1 3.47Å; E106-H110 WeakPolarHBondContact CG-CE1 3.49Å; E106-H110 WeakPolarHBondContact O-CB 3.37Å; E106-H110 VanDerWaalsContact O-CG 3.28Å; E106-H110 PolarHBondContact O-N 3.17Å; E106-H110 PolarHBondContact O-ND1 2.95Å; E106-H110 IonicContact OE1-CE1 2.71Å; E106-H110 IonicContact OE1-NE2 2.73Å; E106-V166 HydrophobicContact CB-CG2 3.96Å; E106-V166 HydrophobicContact CG-CG2 4.38Å; E106-H169 IonicContact OE1-CE1 2.9Å; E106-H169 PolarHBondContact OE1-CE1 3.05Å; E106-H169 IonicContact OE1-ND1 3.86Å; E106-H169 PolarHBondContact OE1-ND1 3.14Å; E106-H169 IonicContact OE2-CE1 2.74Å; E106-H169 IonicContact OE2-CG 3.6Å; E106-H169 IonicContact OE2-ND1 3.47Å; E106-H169 PolarHBondContact OE2-ND1 3.41Å
107H98.5Very high97.6Very high93 Ų9349.3 Ų49.343%0.43125%0.249SC..Hα-helixtrans-63.3-34.2172.2-70.1137.7000113E103 D104 V105E103-H107 PolarHBondContact O-N 3.32Å; E103-H107 PolarHBondContact O-ND1 3.06Å; D104-H107 IonicContact OD1-ND1 2.75Å; V105-H107 PolarHBondContact O-N 3.4Å
108E98.7Very high97.6Very high14 Ų1454 Ų547%0.06527%0.272CS..Hα-helixtrans-70.6-44.9172.9-62.4-61.5134.300110.9D104 V105 E106 H110 K111 I127 K131 V132 L135D104-E108 PolarHBondContact O-N 3.07Å; V105-E108 WeakPolarHBondContact O-CA 3.3Å; V105-E108 WeakPolarHBondContact O-CB 3.42Å; V105-E108 PolarHBondContact O-N 2.81Å; E106-E108 VanDerWaalsContact C-N 3.31Å; E106-E108 PolarHBondContact O-N 3.42Å; E108-H110 VanDerWaalsContact C-N 3.33Å; E108-H110 PolarHBondContact O-N 2.91Å; E108-K111 WeakPolarHBondContact O-CB 3.24Å; E108-K111 PolarHBondContact O-N 3.42Å; E108-K111 IonicContact OE1-NZ 3.45Å; E108-K111 PolarHBondContact OE1-NZ 2.97Å; E108-K111 IonicContact OE2-NZ 3.65Å; E108-K111 PolarHBondContact OE2-NZ 3.12Å; E108-I127 HydrophobicContact CB-CB 4.31Å; E108-I127 HydrophobicContact CB-CD1 4.37Å; E108-I127 HydrophobicContact CB-CG2 4.37Å; E108-I127 VanDerWaalsContact O-CD1 3.3Å; E108-I127 WeakPolarHBondContact O-CD1 3.31Å; E108-I127 WeakPolarHBondContact OE2-CG2 3.43Å; E108-K131 HydrophobicContact CG-CB 4.01Å; E108-K131 HydrophobicContact CG-CD 4.38Å; E108-K131 WeakPolarHBondContact OE1-CD 3.39Å; E108-K131 IonicContact OE1-NZ 2.62Å; E108-V132 HydrophobicContact CB-CG2 3.91Å; E108-V132 HydrophobicContact CG-CG2 4.46Å; E108-L135 HydrophobicContact CG-CD1 4.04Å
109Y98.2Very high97.5Very high9 Ų957.7 Ų57.74%0.03529%0.289CS..Hα-helixtrans-56.2-45.4174.1168.2-103.4000112.1V105 E106 K111 T112 L113 H169 L173 F211V105-Y109 PolarHBondContact O-N 2.63Å; E106-Y109 PolarHBondContact O-N 3.13Å; Y109-K111 PolarHBondContact O-N 3.47Å; Y109-T112 WeakPolarHBondContact O-CB 3.45Å; Y109-T112 WeakPolarHBondContact O-CG2 3.38Å; Y109-T112 PolarHBondContact O-N 3.2Å; Y109-T112 PolarHBondContact O-OG1 3.18Å; Y109-L113 HydrophobicContact CE1-CD1 4.1Å; Y109-L113 HydrophobicContact CE1-CD2 3.85Å; Y109-L113 HydrophobicContact CE1-CG 4.14Å; Y109-L113 HydrophobicContact CE2-CD2 4.44Å; Y109-H169 HydrophobicContact CD1-CB 3.9Å; Y109-H169 AromaticContact CD1-CG 3.91Å; Y109-H169 AromaticContact CD1-ND1 3.78Å; Y109-H169 HydrophobicContact CD2-CB 3.65Å; Y109-H169 HydrophobicContact CE1-CB 3.94Å; Y109-H169 AromaticContact CE1-CD2 3.99Å; Y109-H169 AromaticContact CE1-CG 3.63Å; Y109-H169 AromaticContact CE1-ND1 3.68Å; Y109-H169 HydrophobicContact CE2-CB 3.67Å; Y109-H169 HydrophobicContact CG-CB 3.76Å; Y109-H169 AromaticContact CZ-CD2 3.87Å; Y109-H169 AromaticContact CZ-CG 3.74Å; Y109-L173 HydrophobicContact CD2-CD1 3.84Å; Y109-L173 HydrophobicContact CD2-CD2 4.14Å; Y109-L173 HydrophobicContact CD2-CG 3.91Å; Y109-L173 HydrophobicContact CE2-CD2 4.05Å; Y109-L173 HydrophobicContact CE2-CG 4.15Å; Y109-F211 WeakPolarHBondContact OH-CB 3.4Å
110H97.1Very high97.5Very high42 Ų4261 Ų6119%0.19430%0.303CS..Hα-helixtrans-57.6-24.9-178.5-80.1132.6000113.9R16 E106 E108 T112 L113R16-H110 VanDerWaalsContact CZ-CE1 3.45Å; R16-H110 PolarHBondContact NH2-CE1 3.48Å; R16-H110 PolarHBondContact NH2-ND1 2.73Å; E106-H110 VanDerWaalsContact CG-CE1 3.47Å; E106-H110 WeakPolarHBondContact CG-CE1 3.49Å; E106-H110 WeakPolarHBondContact O-CB 3.37Å; E106-H110 VanDerWaalsContact O-CG 3.28Å; E106-H110 PolarHBondContact O-N 3.17Å; E106-H110 PolarHBondContact O-ND1 2.95Å; E106-H110 IonicContact OE1-CE1 2.71Å; E106-H110 IonicContact OE1-NE2 2.73Å; E108-H110 VanDerWaalsContact C-N 3.33Å; E108-H110 PolarHBondContact O-N 2.91Å; H110-T112 PolarHBondContact O-N 3.48Å; H110-L113 PolarHBondContact O-N 3.4Å
111K98Very high97.5Very high91 Ų9163.7 Ų63.740%0.39631%0.307SS..THydrogen-bonded Turntrans-63.7-22.6175.6-61.2174.9-171.3170.90112.8E108 Y109 I123 I127E108-K111 WeakPolarHBondContact O-CB 3.24Å; E108-K111 PolarHBondContact O-N 3.42Å; E108-K111 IonicContact OE1-NZ 3.45Å; E108-K111 PolarHBondContact OE1-NZ 2.97Å; E108-K111 IonicContact OE2-NZ 3.65Å; E108-K111 PolarHBondContact OE2-NZ 3.12Å; Y109-K111 PolarHBondContact O-N 3.47Å; K111-I123 HydrophobicContact CB-CG2 3.73Å; K111-I123 WeakPolarHBondContact O-CD1 3.41Å; K111-I127 HydrophobicContact CD-CG2 4.37Å
112T97.6Very high97.4Very high1 Ų169.8 Ų69.81%0.00633%0.333CS..THydrogen-bonded Turntrans-85.2-14-179.274.30000113.4Y109 H110 I123 I127 L173Y109-T112 WeakPolarHBondContact O-CB 3.45Å; Y109-T112 WeakPolarHBondContact O-CG2 3.38Å; Y109-T112 PolarHBondContact O-N 3.2Å; Y109-T112 PolarHBondContact O-OG1 3.18Å; H110-T112 PolarHBondContact O-N 3.48Å; T112-I123 HydrophobicContact CG2-CG2 3.95Å; T112-I127 HydrophobicContact CG2-CD1 3.67Å; T112-L173 HydrophobicContact CG2-CD1 3.9Å; T112-L173 HydrophobicContact CG2-CD2 4.08Å
113L94.8Very high97.4Very high52 Ų5270.9 Ų70.927%0.27234%0.339SS..THydrogen-bonded Turntrans-78.3147.9-173.9-63.9-168000112.6Y109 H110 K115Y109-L113 HydrophobicContact CE1-CD1 4.1Å; Y109-L113 HydrophobicContact CE1-CD2 3.85Å; Y109-L113 HydrophobicContact CE1-CG 4.14Å; Y109-L113 HydrophobicContact CE2-CD2 4.44Å; H110-L113 PolarHBondContact O-N 3.4Å; L113-K115 WeakPolarHBondContact O-CG 3.22Å; L113-K115 PolarHBondContact O-N 3.22Å
114M92.2Very high97.4Very high188 Ų18870.3 Ų70.393%0.92634%0.337SS*.THydrogen-bonded Turntrans54.733.8175.8-55.7-178.369.300113.6
115K95.1Very high97.4Very high85 Ų8573 Ų7337%0.3735%0.346SS..  trans-107.2149.1176.3-62.9-54-167.4153.90111.5L113 E119 K120 I123L113-K115 WeakPolarHBondContact O-CG 3.22Å; L113-K115 PolarHBondContact O-N 3.22Å; K115-E119 HydrophobicContact CB-CB 4.4Å; K115-E119 WeakPolarHBondContact CE-OE1 3.39Å; K115-E119 IonicContact NZ-OE1 2.84Å; K115-E119 PolarHBondContact NZ-OE1 3.43Å; K115-E119 IonicContact NZ-OE2 3.05Å; K115-K120 HydrophobicContact CB-CB 4.13Å; K115-I123 HydrophobicContact CG-CD1 4.23Å
116P96.7Very high97.4Very high88 Ų8879.2 Ų79.257%0.57138%0.375SS*.  trans-54.9150163.4-2132.9000110.7E118 E119 K120P116-E118 VanDerWaalsContact C-N 3.32Å; P116-E118 PolarHBondContact O-N 3.4Å; P116-E119 PolarHBondContact O-N 3.33Å; P116-E119 VanDerWaalsContact O-N 3.14Å; P116-K120 PolarHBondContact O-N 2.67Å
117Q95.9Very high97.4Very high121 Ų12179 Ų7957%0.56537%0.374SS*.Hα-helixtrans-55.1-43.4-171.5-177612200113.5K120 E121Q117-K120 WeakPolarHBondContact O-CB 3.28Å; Q117-K120 PolarHBondContact O-N 2.97Å; Q117-E121 PolarHBondContact NE2-OE1 3.1Å; Q117-E121 WeakPolarHBondContact O-CG 3.49Å; Q117-E121 PolarHBondContact O-N 3.4Å
118E97.7Very high97.4Very high167 Ų16775.2 Ų75.278%0.7836%0.357SS*.Hα-helixtrans-63-45179.4-173.2-172.6169.900112.3P116 E121 K122P116-E118 VanDerWaalsContact C-N 3.32Å; P116-E118 PolarHBondContact O-N 3.4Å; E118-E121 PolarHBondContact O-N 2.87Å; E118-K122 PolarHBondContact O-N 3.04Å; E118-K122 VanDerWaalsContact O-N 3.1Å
119E98.1Very high97.4Very high82 Ų8281.2 Ų81.238%0.38339%0.389SS..Hα-helixtrans-66.5-41177.3-170.1-174.1164.900110.7K115 P116 E121 K122 I123K115-E119 HydrophobicContact CB-CB 4.4Å; K115-E119 WeakPolarHBondContact CE-OE1 3.39Å; K115-E119 IonicContact NZ-OE1 2.84Å; K115-E119 PolarHBondContact NZ-OE1 3.43Å; K115-E119 IonicContact NZ-OE2 3.05Å; P116-E119 PolarHBondContact O-N 3.33Å; P116-E119 VanDerWaalsContact O-N 3.14Å; E119-E121 PolarHBondContact O-N 3.4Å; E119-K122 PolarHBondContact O-N 2.94Å; E119-I123 HydrophobicContact CG-CD1 3.93Å; E119-I123 WeakPolarHBondContact O-CG1 3.38Å; E119-I123 PolarHBondContact O-N 3.08Å
120K97.8Very high97.4Very high69 Ų6982.4 Ų82.430%0.340%0.404SS..Hα-helixtrans-56.8-49.1174.6-176.7176.7179.1-178.40111K115 P116 Q117 K122 I123 T124K115-K120 HydrophobicContact CB-CB 4.13Å; P116-K120 PolarHBondContact O-N 2.67Å; Q117-K120 WeakPolarHBondContact O-CB 3.28Å; Q117-K120 PolarHBondContact O-N 2.97Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.31Å; K120-I123 PolarHBondContact O-N 3.25Å; K120-T124 WeakPolarHBondContact O-CB 3.44Å; K120-T124 PolarHBondContact O-N 3.08Å; K120-T124 PolarHBondContact O-OG1 3.09Å
121E98Very high97.5Very high92 Ų9286.2 Ų86.243%0.4342%0.42SS..Hα-helixtrans-62.3-39.8179.7-75.2175.8-164.900112.8Q117 E118 E119 K125Q117-E121 PolarHBondContact NE2-OE1 3.1Å; Q117-E121 WeakPolarHBondContact O-CG 3.49Å; Q117-E121 PolarHBondContact O-N 3.4Å; E118-E121 PolarHBondContact O-N 2.87Å; E119-E121 PolarHBondContact O-N 3.4Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.42Å
122K98.5Very high97.5Very high151 Ų15182 Ų8266%0.65740%0.402SS*.Hα-helixtrans-62.4-49.9175.4-177.5-176.6173.9-174.50111.3E118 E119 K120 K125 E126E118-K122 PolarHBondContact O-N 3.04Å; E118-K122 VanDerWaalsContact O-N 3.1Å; E119-K122 PolarHBondContact O-N 2.94Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K120-K122 PolarHBondContact O-N 3.31Å; K122-K125 PolarHBondContact O-N 3.02Å; K122-E126 PolarHBondContact O-N 3.21Å
123I98.6Very high97.6Very high24 Ų2483.4 Ų83.412%0.12341%0.411CS..Hα-helixtrans-63.8-42.9179.6-64.5169.1000110.3K111 T112 K115 E119 K120 K125 E126 I127K111-I123 HydrophobicContact CB-CG2 3.73Å; K111-I123 WeakPolarHBondContact O-CD1 3.41Å; T112-I123 HydrophobicContact CG2-CG2 3.95Å; K115-I123 HydrophobicContact CG-CD1 4.23Å; E119-I123 HydrophobicContact CG-CD1 3.93Å; E119-I123 WeakPolarHBondContact O-CG1 3.38Å; E119-I123 PolarHBondContact O-N 3.08Å; K120-I123 PolarHBondContact O-N 3.25Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.17Å; I123-E126 WeakPolarHBondContact O-CB 3.43Å; I123-E126 PolarHBondContact O-N 2.87Å; I123-E126 VanDerWaalsContact O-N 3.12Å; I123-I127 HydrophobicContact CG2-CG2 4.19Å; I123-I127 PolarHBondContact O-N 3.32Å
124T98.5Very high97.7Very high18 Ų1885.1 Ų85.111%0.1142%0.424CS..Hα-helixtrans-55.1-48.8175.7-67.50000111.2K120 E126 I127 L128 L173K120-T124 WeakPolarHBondContact O-CB 3.44Å; K120-T124 PolarHBondContact O-N 3.08Å; K120-T124 PolarHBondContact O-OG1 3.09Å; T124-E126 VanDerWaalsContact C-N 3.31Å; T124-E126 PolarHBondContact O-N 3.31Å; T124-I127 WeakPolarHBondContact O-CG1 3.32Å; T124-I127 PolarHBondContact O-N 3.46Å; T124-L128 HydrophobicContact CG2-CD1 3.61Å; T124-L128 HydrophobicContact CG2-CG 4.18Å; T124-L128 VanDerWaalsContact O-CB 3.31Å; T124-L128 WeakPolarHBondContact O-CB 3.37Å; T124-L128 VanDerWaalsContact O-CG 3.24Å; T124-L128 WeakPolarHBondContact O-CG 3.48Å; T124-L128 PolarHBondContact O-N 2.94Å; T124-L173 HydrophobicContact CG2-CB 3.93Å
125K98.5Very high98Very high137 Ų13777.1 Ų77.160%0.59639%0.385SS*.Hα-helixtrans-61.2-40.4177.1-73.7172.7-177169.80112E121 K122 I123 N129E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.42Å; K122-K125 PolarHBondContact O-N 3.02Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.17Å; K125-N129 WeakPolarHBondContact O-CB 3.42Å; K125-N129 PolarHBondContact O-N 3.29Å; K125-N129 PolarHBondContact O-ND2 3.17Å
126E98.6Very high98.2Very high130 Ų13073.1 Ų73.161%0.60737%0.367SS*.Hα-helixtrans-63.3-51178.9-174.2-177.6154.300111.9K122 I123 T124 N129 G130K122-E126 PolarHBondContact O-N 3.21Å; I123-E126 WeakPolarHBondContact O-CB 3.43Å; I123-E126 PolarHBondContact O-N 2.87Å; I123-E126 VanDerWaalsContact O-N 3.12Å; T124-E126 VanDerWaalsContact C-N 3.31Å; T124-E126 PolarHBondContact O-N 3.31Å; E126-N129 PolarHBondContact O-N 3.05Å; E126-G130 WeakPolarHBondContact O-CA 3.32Å; E126-G130 PolarHBondContact O-N 3.23Å
127I98.7Very high98.3Very high5 Ų573.2 Ų73.23%0.02636%0.363CS..Hα-helixtrans-71.3-38-175.268.9177.9000112.2E108 K111 T112 I123 T124 N129 G130 K131 V132 L173E108-I127 HydrophobicContact CB-CB 4.31Å; E108-I127 HydrophobicContact CB-CD1 4.37Å; E108-I127 HydrophobicContact CB-CG2 4.37Å; E108-I127 VanDerWaalsContact O-CD1 3.3Å; E108-I127 WeakPolarHBondContact O-CD1 3.31Å; E108-I127 WeakPolarHBondContact OE2-CG2 3.43Å; K111-I127 HydrophobicContact CD-CG2 4.37Å; T112-I127 HydrophobicContact CG2-CD1 3.67Å; I123-I127 HydrophobicContact CG2-CG2 4.19Å; I123-I127 PolarHBondContact O-N 3.32Å; T124-I127 WeakPolarHBondContact O-CG1 3.32Å; T124-I127 PolarHBondContact O-N 3.46Å; I127-N129 VanDerWaalsContact C-N 3.33Å; I127-N129 PolarHBondContact O-N 3.46Å; I127-G130 CarbonylContact O-C 3.5Å; I127-G130 PolarHBondContact O-N 3Å; I127-G130 VanDerWaalsContact O-N 3.15Å; I127-K131 PolarHBondContact O-N 2.98Å; I127-V132 HydrophobicContact CB-CG2 4.02Å; I127-V132 HydrophobicContact CD1-CG2 4.39Å; I127-V132 HydrophobicContact CG1-CG2 4.13Å; I127-V132 WeakPolarHBondContact O-CB 3.3Å; I127-V132 WeakPolarHBondContact O-CG2 3.49Å; I127-V132 PolarHBondContact O-N 3.4Å; I127-L173 HydrophobicContact CD1-CD1 3.76Å
128L98.6Very high98.4Very high14 Ų1471.5 Ų71.57%0.07336%0.356CS..Hα-helixtrans-73.3-23.9-179.4-65.3-175000112.8T124 V132 P133 V170 L173 D174 F177T124-L128 HydrophobicContact CG2-CD1 3.61Å; T124-L128 HydrophobicContact CG2-CG 4.18Å; T124-L128 VanDerWaalsContact O-CB 3.31Å; T124-L128 WeakPolarHBondContact O-CB 3.37Å; T124-L128 VanDerWaalsContact O-CG 3.24Å; T124-L128 WeakPolarHBondContact O-CG 3.48Å; T124-L128 PolarHBondContact O-N 2.94Å; L128-V132 HydrophobicContact CD2-CB 4.23Å; L128-V132 HydrophobicContact CD2-CG1 4.04Å; L128-V132 HydrophobicContact CD2-CG2 4.31Å; L128-P133 WeakPolarHBondContact O-CD 3.43Å; L128-P133 WeakPolarHBondContact O-CG 3.37Å; L128-V170 HydrophobicContact CD2-CG1 4.17Å; L128-L173 HydrophobicContact CD1-CB 4.28Å; L128-D174 HydrophobicContact CD1-CB 3.56Å; L128-F177 HydrophobicContact CB-CD2 4.25Å; L128-F177 HydrophobicContact CB-CE2 4.03Å; L128-F177 HydrophobicContact CD1-CD2 4.38Å; L128-F177 HydrophobicContact CD2-CD2 3.91Å; L128-F177 HydrophobicContact CD2-CE2 3.92Å; L128-F177 HydrophobicContact CD2-CG 4.36Å; L128-F177 HydrophobicContact CD2-CZ 4.36Å; L128-F177 HydrophobicContact CG-CD2 4.41Å; L128-F177 HydrophobicContact CG-CE2 4.48Å; L128-F177 WeakPolarHBondContact O-CE2 3.33Å
129N98.3Very high98.5Very high139 Ų13963.6 Ų63.674%0.74332%0.319SS*.THydrogen-bonded Turntrans-97.92.8170.2-64.5-65.7000113.1K125 E126 I127K125-N129 WeakPolarHBondContact O-CB 3.42Å; K125-N129 PolarHBondContact O-N 3.29Å; K125-N129 PolarHBondContact O-ND2 3.17Å; E126-N129 PolarHBondContact O-N 3.05Å; I127-N129 VanDerWaalsContact C-N 3.33Å; I127-N129 PolarHBondContact O-N 3.46Å
130G98.3Very high98.5Very high35 Ų3559.9 Ų59.936%0.36130%0.302SS..THydrogen-bonded Turntrans-119.3-108.8-174.100000112E126 I127 P133E126-G130 WeakPolarHBondContact O-CA 3.32Å; E126-G130 PolarHBondContact O-N 3.23Å; I127-G130 CarbonylContact O-C 3.5Å; I127-G130 PolarHBondContact O-N 3Å; I127-G130 VanDerWaalsContact O-N 3.15Å; G130-P133 WeakPolarHBondContact O-CD 3.36Å
131K98.3Very high98.6Very high122 Ų12262 Ų6253%0.5331%0.313SS..Hα-helixtrans-74.2-31.7-171.4-74.1-179.9171.7-167.50114.3E108 I127 V134 L135E108-K131 HydrophobicContact CG-CB 4.01Å; E108-K131 HydrophobicContact CG-CD 4.38Å; E108-K131 WeakPolarHBondContact OE1-CD 3.39Å; E108-K131 IonicContact OE1-NZ 2.62Å; I127-K131 PolarHBondContact O-N 2.98Å; K131-V134 WeakPolarHBondContact O-CB 3.47Å; K131-V134 PolarHBondContact O-N 3.15Å; K131-V134 VanDerWaalsContact O-N 3.1Å; K131-L135 HydrophobicContact CB-CD1 4.31Å; K131-L135 WeakPolarHBondContact O-CG 3.47Å; K131-L135 PolarHBondContact O-N 2.67Å
132V98.7Very high98.6Very high2 Ų258.1 Ų58.11%0.01230%0.296CS..Hα-helixtrans-59-47.6-174.5175.10000111.7E108 I127 L128 V134 L135 F136 V170 F177E108-V132 HydrophobicContact CB-CG2 3.91Å; E108-V132 HydrophobicContact CG-CG2 4.46Å; I127-V132 HydrophobicContact CB-CG2 4.02Å; I127-V132 HydrophobicContact CD1-CG2 4.39Å; I127-V132 HydrophobicContact CG1-CG2 4.13Å; I127-V132 WeakPolarHBondContact O-CB 3.3Å; I127-V132 WeakPolarHBondContact O-CG2 3.49Å; I127-V132 PolarHBondContact O-N 3.4Å; L128-V132 HydrophobicContact CD2-CB 4.23Å; L128-V132 HydrophobicContact CD2-CG1 4.04Å; L128-V132 HydrophobicContact CD2-CG2 4.31Å; V132-V134 VanDerWaalsContact C-N 3.33Å; V132-V134 PolarHBondContact O-N 3.36Å; V132-L135 PolarHBondContact O-N 2.92Å; V132-F136 HydrophobicContact CG1-CD2 3.76Å; V132-F136 HydrophobicContact CG1-CE2 3.74Å; V132-F136 WeakPolarHBondContact O-CB 3.08Å; V132-F136 VanDerWaalsContact O-CD2 3.3Å; V132-F136 WeakPolarHBondContact O-CD2 3.44Å; V132-F136 PolarHBondContact O-N 3.19Å; V132-V170 HydrophobicContact CG1-CG1 4.14Å; V132-V170 HydrophobicContact CG1-CG2 4.21Å; V132-F177 HydrophobicContact CB-CZ 4.35Å; V132-F177 HydrophobicContact CG1-CE1 3.74Å; V132-F177 HydrophobicContact CG1-CZ 3.66Å
133P98.7Very high98.6Very high31 Ų3151.9 Ų51.920%0.20127%0.27CS..Hα-helixtrans-57.5-40.2173.6-25.632.2000114.6L128 G130 F136 N137 F177L128-P133 WeakPolarHBondContact O-CD 3.43Å; L128-P133 WeakPolarHBondContact O-CG 3.37Å; G130-P133 WeakPolarHBondContact O-CD 3.36Å; P133-F136 PolarHBondContact O-N 3.49Å; P133-N137 PolarHBondContact O-N 3.12Å; P133-N137 PolarHBondContact O-ND2 2.8Å; P133-F177 HydrophobicContact CG-CE2 4.24Å; P133-F177 HydrophobicContact CG-CZ 3.93Å
134V98.7Very high98.6Very high88 Ų8856 Ų5653%0.53329%0.287SS..Hα-helixtrans-63.3-46.6179.4178.20000110.4K131 V132 N137 M138K131-V134 WeakPolarHBondContact O-CB 3.47Å; K131-V134 PolarHBondContact O-N 3.15Å; K131-V134 VanDerWaalsContact O-N 3.1Å; V132-V134 VanDerWaalsContact C-N 3.33Å; V132-V134 PolarHBondContact O-N 3.36Å; V134-N137 PolarHBondContact O-N 3.04Å; V134-M138 PolarHBondContact O-N 2.9Å; V134-M138 VanDerWaalsContact O-N 3.13Å
135L98.7Very high98.6Very high20 Ų2058 Ų5811%0.10531%0.311CS..Hα-helixtrans-67.5-38.6179-64.7168.4000111.7D104 V105 E108 K131 V132 N137 M138 I139D104-L135 HydrophobicContact CB-CD1 4.12Å; D104-L135 HydrophobicContact CB-CD2 3.76Å; V105-L135 HydrophobicContact CG2-CB 3.49Å; V105-L135 VanDerWaalsContact CG2-CB 3.49Å; V105-L135 HydrophobicContact CG2-CD1 4.04Å; V105-L135 HydrophobicContact CG2-CG 4.38Å; E108-L135 HydrophobicContact CG-CD1 4.04Å; K131-L135 HydrophobicContact CB-CD1 4.31Å; K131-L135 WeakPolarHBondContact O-CG 3.47Å; K131-L135 PolarHBondContact O-N 2.67Å; V132-L135 PolarHBondContact O-N 2.92Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.5Å; L135-M138 HydrophobicContact CD2-SD 4.36Å; L135-M138 WeakPolarHBondContact O-CB 3.48Å; L135-M138 PolarHBondContact O-N 3.04Å; L135-M138 VanDerWaalsContact O-N 3.16Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.05Å
136F98.7Very high98.6Very high1 Ų152.7 Ų52.70%0.00429%0.291CS..Hα-helixtrans-62.5-38.6174.1-92.1-123.7000112.2V105 V132 P133 I139 C140 V170 F177 L178 Y182 I185V105-F136 HydrophobicContact CB-CE2 4.48Å; V105-F136 HydrophobicContact CG1-CD2 4.38Å; V105-F136 HydrophobicContact CG1-CE2 3.65Å; V105-F136 HydrophobicContact CG2-CD2 3.98Å; V105-F136 HydrophobicContact CG2-CE2 3.98Å; V132-F136 HydrophobicContact CG1-CD2 3.76Å; V132-F136 HydrophobicContact CG1-CE2 3.74Å; V132-F136 WeakPolarHBondContact O-CB 3.08Å; V132-F136 VanDerWaalsContact O-CD2 3.3Å; V132-F136 WeakPolarHBondContact O-CD2 3.44Å; V132-F136 PolarHBondContact O-N 3.19Å; P133-F136 PolarHBondContact O-N 3.49Å; F136-I139 PolarHBondContact O-N 3.19Å; F136-C140 PolarHBondContact O-N 2.86Å; F136-C140 PolarHBondContact O-SG 3.06Å; F136-V170 HydrophobicContact CE2-CB 4.38Å; F136-V170 HydrophobicContact CE2-CG1 4.29Å; F136-V170 HydrophobicContact CE2-CG2 3.81Å; F136-V170 HydrophobicContact CZ-CB 3.9Å; F136-V170 HydrophobicContact CZ-CG1 3.83Å; F136-V170 HydrophobicContact CZ-CG2 3.81Å; F136-F177 HydrophobicContact CD1-CE1 4.09Å; F136-F177 HydrophobicContact CE1-CD1 4.43Å; F136-F177 HydrophobicContact CE1-CE1 4.19Å; F136-F177 HydrophobicContact CG-CE1 4.3Å; F136-F177 HydrophobicContact CZ-CE1 4.47Å; F136-L178 HydrophobicContact CE1-CD1 4.06Å; F136-L178 HydrophobicContact CE1-CD2 4.22Å; F136-L178 HydrophobicContact CE1-CG 4.16Å; F136-Y182 HydrophobicContact CB-CD1 4.02Å; F136-Y182 HydrophobicContact CB-CE1 3.65Å; F136-Y182 HydrophobicContact CB-CE2 4.4Å; F136-Y182 HydrophobicContact CD1-CD1 4.4Å; F136-Y182 AromaticContact CD1-CD2 3.85Å; F136-Y182 HydrophobicContact CD1-CD2 3.85Å; F136-Y182 HydrophobicContact CD1-CE1 4.48Å; F136-Y182 AromaticContact CD1-CE2 3.93Å; F136-Y182 HydrophobicContact CD1-CE2 3.93Å; F136-Y182 HydrophobicContact CD1-CG 4.09Å; F136-I185 HydrophobicContact CB-CD1 4.47Å; F136-I185 HydrophobicContact CD1-CD1 3.34Å; F136-I185 HydrophobicContact CE1-CD1 3.69Å; F136-I185 HydrophobicContact CG-CD1 4.08Å
137N98.7Very high98.5Very high89 Ų8952.4 Ų52.448%0.47630%0.298SS..Hα-helixtrans-62.9-42.3173.1-72.2-28.1000111.3P133 V134 L135 I139 C140 E141P133-N137 PolarHBondContact O-N 3.12Å; P133-N137 PolarHBondContact O-ND2 2.8Å; V134-N137 PolarHBondContact O-N 3.04Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.5Å; N137-I139 VanDerWaalsContact C-N 3.32Å; N137-I139 PolarHBondContact O-N 3Å; N137-C140 PolarHBondContact O-N 3.49Å; N137-E141 WeakPolarHBondContact O-CG 3.42Å; N137-E141 PolarHBondContact O-N 2.85Å
138M98.5Very high98.5Very high86 Ų8653.4 Ų53.442%0.42431%0.31SS..Hα-helixtrans-61.6-39.8175.2-67.7175.462.900112.5V134 L135 E141 S142V134-M138 PolarHBondContact O-N 2.9Å; V134-M138 VanDerWaalsContact O-N 3.13Å; L135-M138 HydrophobicContact CD2-SD 4.36Å; L135-M138 WeakPolarHBondContact O-CB 3.48Å; L135-M138 PolarHBondContact O-N 3.04Å; L135-M138 VanDerWaalsContact O-N 3.16Å; M138-E141 PolarHBondContact O-N 3.5Å; M138-S142 PolarHBondContact O-N 3.42Å; M138-S142 PolarHBondContact O-OG 3.25Å
139I98.9Very high98.4Very high1 Ų159.4 Ų59.41%0.00534%0.335CS..Hα-helixtrans-63.3-45.8173.7-70.2168.1000110.4L98 Q101 V105 L135 F136 N137 E141 S142 L143 L163 I185L98-I139 HydrophobicContact CD1-CB 4.5Å; L98-I139 HydrophobicContact CD1-CG1 4.38Å; L98-I139 HydrophobicContact CD1-CG2 4.17Å; Q101-I139 HydrophobicContact CB-CG1 3.92Å; V105-I139 HydrophobicContact CG2-CD1 3.79Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.05Å; F136-I139 PolarHBondContact O-N 3.19Å; N137-I139 VanDerWaalsContact C-N 3.32Å; N137-I139 PolarHBondContact O-N 3Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 2.93Å; I139-S142 WeakPolarHBondContact O-CB 3.33Å; I139-S142 PolarHBondContact O-N 3.33Å; I139-S142 VanDerWaalsContact O-N 3.15Å; I139-L143 HydrophobicContact CG2-CD1 4.02Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 WeakPolarHBondContact O-CG 3.12Å; I139-L143 PolarHBondContact O-N 3.02Å; I139-L163 HydrophobicContact CD1-CD1 4.17Å; I139-L163 HydrophobicContact CG2-CD1 3.68Å; I139-L163 HydrophobicContact CG2-CD2 4.13Å; I139-I185 HydrophobicContact CG2-CD1 4.16Å; I139-I185 HydrophobicContact CG2-CG1 4.21Å
140C98.8Very high98.5Very high4 Ų452.9 Ų52.93%0.02730%0.301CS..Hα-helixtrans-59.4-43.1177.6-66.50000111.7F136 N137 S142 L143 K144 E184F136-C140 PolarHBondContact O-N 2.86Å; F136-C140 PolarHBondContact O-SG 3.06Å; N137-C140 PolarHBondContact O-N 3.49Å; C140-S142 PolarHBondContact O-N 2.93Å; C140-L143 PolarHBondContact O-N 3.25Å; C140-K144 WeakPolarHBondContact O-CG 3.36Å; C140-K144 PolarHBondContact O-N 3.34Å; C140-E184 HydrophobicContact CB-CB 4.21Å; C140-E184 HydrophobicContact CB-CG 4.28Å
141E98.8Very high98.5Very high113 Ų11351.5 Ų51.553%0.52829%0.286SS..Hα-helixtrans-64.3-38.4175.3-66.5-51.7127.200112.4N137 M138 I139 K144 G145N137-E141 WeakPolarHBondContact O-CG 3.42Å; N137-E141 PolarHBondContact O-N 2.85Å; M138-E141 PolarHBondContact O-N 3.5Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 2.93Å; E141-K144 PolarHBondContact O-N 3.16Å; E141-K144 IonicContact OE1-NZ 3.88Å; E141-K144 PolarHBondContact OE1-NZ 3.45Å; E141-G145 PolarHBondContact O-N 3.34Å; E141-G145 VanDerWaalsContact O-N 3.14Å
142S98.7Very high98.5Very high11 Ų1146.1 Ų46.18%0.07726%0.263CS..Hα-helixtrans-63.9-41.2172.6-76.20000112.7K97 Q101 M138 I139 C140 G145 S146K97-S142 WeakPolarHBondContact CE-OG 3.4Å; K97-S142 PolarHBondContact NZ-OG 3.05Å; K97-S142 VanDerWaalsContact NZ-OG 3.11Å; Q101-S142 VanDerWaalsContact CD-OG 3.29Å; Q101-S142 PolarHBondContact NE2-OG 3.47Å; Q101-S142 VanDerWaalsContact NE2-OG 3.1Å; Q101-S142 VanDerWaalsContact OE1-CB 3.3Å; Q101-S142 PolarHBondContact OE1-OG 3.01Å; M138-S142 PolarHBondContact O-N 3.42Å; M138-S142 PolarHBondContact O-OG 3.25Å; I139-S142 WeakPolarHBondContact O-CB 3.33Å; I139-S142 PolarHBondContact O-N 3.33Å; I139-S142 VanDerWaalsContact O-N 3.15Å; C140-S142 PolarHBondContact O-N 2.93Å; S142-G145 PolarHBondContact O-N 2.99Å; S142-S146 PolarHBondContact O-N 2.89Å
143L98.8Very high98.5Very high19 Ų1946.3 Ų46.310%0.09927%0.266CS..Hα-helixtrans-64.4-40.7177-69.8172000111.8L98 I139 C140 G145 S146 A151 L163 E184 I185 H188L98-L143 HydrophobicContact CD2-CD2 4.09Å; I139-L143 HydrophobicContact CG2-CD1 4.02Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 WeakPolarHBondContact O-CG 3.12Å; I139-L143 PolarHBondContact O-N 3.02Å; C140-L143 PolarHBondContact O-N 3.25Å; L143-G145 PolarHBondContact O-N 2.88Å; L143-S146 VanDerWaalsContact O-CB 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.38Å; L143-S146 PolarHBondContact O-N 2.83Å; L143-S146 VanDerWaalsContact O-N 3.14Å; L143-A151 HydrophobicContact CD2-CB 4.46Å; L143-L163 HydrophobicContact CD1-CD2 4.1Å; L143-L163 HydrophobicContact CD2-CD2 3.92Å; L143-L163 HydrophobicContact CG-CD2 4.39Å; L143-E184 HydrophobicContact CB-CB 4.18Å; L143-E184 HydrophobicContact CD1-CB 4.09Å; L143-I185 HydrophobicContact CD1-CG1 3.91Å; L143-H188 HydrophobicContact CD1-CB 4.07Å; L143-H188 HydrophobicContact CD2-CB 4.21Å
144K98.5Very high98.5Very high111 Ų11149.6 Ų49.648%0.48328%0.281SS..Hα-helixtrans-60.8-32.1173.1-71.2172.7-171.2168.50112.7C140 E141 S146 E184C140-K144 WeakPolarHBondContact O-CG 3.36Å; C140-K144 PolarHBondContact O-N 3.34Å; E141-K144 PolarHBondContact O-N 3.16Å; E141-K144 IonicContact OE1-NZ 3.88Å; E141-K144 PolarHBondContact OE1-NZ 3.45Å; K144-S146 VanDerWaalsContact C-N 3.26Å; K144-S146 PolarHBondContact O-N 3.03Å; K144-E184 HydrophobicContact CD-CG 4.42Å; K144-E184 VanDerWaalsContact CE-CD 3.4Å; K144-E184 WeakPolarHBondContact CE-OE1 3.45Å; K144-E184 HydrophobicContact CG-CG 3.79Å; K144-E184 IonicContact NZ-OE1 3.55Å
145G97.6Very high98.4Very high61 Ų6151.6 Ų51.663%0.62928%0.283SS*.THydrogen-bonded Turntrans-78.1-4.2178.100000114.6E141 S142 L143E141-G145 PolarHBondContact O-N 3.34Å; E141-G145 VanDerWaalsContact O-N 3.14Å; S142-G145 PolarHBondContact O-N 2.99Å; L143-G145 PolarHBondContact O-N 2.88Å
146S98.4Very high98.4Very high25 Ų2551.7 Ų51.718%0.17528%0.284CS..  trans-65.4142.5176.2-174.20000111.1S142 L143 K144 G148 L150 A151 G153S142-S146 PolarHBondContact O-N 2.89Å; L143-S146 VanDerWaalsContact O-CB 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.38Å; L143-S146 PolarHBondContact O-N 2.83Å; L143-S146 VanDerWaalsContact O-N 3.14Å; K144-S146 VanDerWaalsContact C-N 3.26Å; K144-S146 PolarHBondContact O-N 3.03Å; S146-G148 PolarHBondContact O-N 3.25Å; S146-G148 PolarHBondContact OG-N 2.82Å; S146-G148 PolarHBondContact OG-O 3.43Å; S146-L150 VanDerWaalsContact CB-O 3.26Å; S146-L150 WeakPolarHBondContact CB-O 3.32Å; S146-L150 PolarHBondContact OG-O 3.3Å; S146-A151 PolarHBondContact OG-O 3.23Å; S146-G153 PolarHBondContact OG-N 2.66Å; S146-G153 VanDerWaalsContact OG-N 3.15Å
147T97.6Very high98.4Very high123 Ų12352 Ų5276%0.75529%0.286SS*.SBendtrans-77.2-8.5175.4530000113.2
148G97.6Very high98.4Very high26 Ų2647.7 Ų47.727%0.26826%0.263SS..SBendtrans-142-158.5-178.900000112.7S146 G153 D154S146-G148 PolarHBondContact O-N 3.25Å; S146-G148 PolarHBondContact OG-N 2.82Å; S146-G148 PolarHBondContact OG-O 3.43Å; G148-G153 CarbonylContact C-O 3.59Å; G148-G153 WeakPolarHBondContact CA-O 3.42Å; G148-D154 WeakPolarHBondContact CA-OD1 3.48Å
149K98.1Very high98.5Very high140 Ų14043.7 Ų43.761%0.60924%0.244SC*.SBendtrans-84.8-16-172.7-68.1170.4-1731540114.6G153 D154 N191K149-G153 PolarHBondContact N-O 3.4Å; K149-D154 PolarHBondContact N-OD1 3.07Å; K149-N191 HydrophobicContact CB-CB 4.32Å; K149-N191 WeakPolarHBondContact O-CB 3.38Å; K149-N191 PolarHBondContact O-ND2 2.9Å
150L98.7Very high98.5Very high3 Ų343.6 Ų43.62%0.01624%0.243CC..SBendtrans-104.6-174.6-178-62.1-175.8000110.5S146 V152 G153 K155 V156 N191 L192S146-L150 VanDerWaalsContact CB-O 3.26Å; S146-L150 WeakPolarHBondContact CB-O 3.32Å; S146-L150 PolarHBondContact OG-O 3.3Å; L150-V152 PolarHBondContact O-N 2.87Å; L150-G153 PolarHBondContact N-O 3.21Å; L150-K155 VanDerWaalsContact CD1-C 3.42Å; L150-V156 HydrophobicContact CD1-CG2 4.04Å; L150-N191 HydrophobicContact CD2-CB 3.92Å; L150-L192 HydrophobicContact CD2-CB 4.08Å; L150-L192 HydrophobicContact CD2-CD1 4.44Å
151A98.6Very high98.5Very high5 Ų543.4 Ų43.44%0.04124%0.242CC..SBendtrans-52.9-42.6179.900000112.7L98 L143 S146 A159 D160L98-A151 HydrophobicContact CD2-CB 3.44Å; L98-A151 VanDerWaalsContact CD2-CB 3.44Å; L143-A151 HydrophobicContact CD2-CB 4.46Å; S146-A151 PolarHBondContact OG-O 3.23Å; A151-A159 HydrophobicContact CB-CB 3.95Å; A151-D160 HydrophobicContact CB-CB 4.47Å; A151-D160 WeakPolarHBondContact CB-OD1 3.35Å; A151-D160 PolarHBondContact N-OD1 3.47Å
152V98.7Very high98.5Very high10 Ų1038.2 Ų38.26%0.06122%0.218CC..SBendtrans-140.8109.1176.5-177.60000108.3E91 V95 L150 T157E91-V152 HydrophobicContact CB-CG1 3.82Å; E91-V152 HydrophobicContact CG-CG1 3.93Å; V95-V152 HydrophobicContact CB-CG2 4.46Å; V95-V152 HydrophobicContact CG2-CB 4Å; V95-V152 HydrophobicContact CG2-CG1 4.3Å; V95-V152 HydrophobicContact CG2-CG2 3.7Å; L150-V152 PolarHBondContact O-N 2.87Å; V152-T157 HydrophobicContact CB-CG2 4.33Å
153G98.2Very high98.5Very high6 Ų637.7 Ų37.76%0.06221%0.214CC..THydrogen-bonded Turntrans68.7-149.1-178.600000113S146 G148 K149 L150S146-G153 PolarHBondContact OG-N 2.66Å; S146-G153 VanDerWaalsContact OG-N 3.15Å; G148-G153 CarbonylContact C-O 3.59Å; G148-G153 WeakPolarHBondContact CA-O 3.42Å; K149-G153 PolarHBondContact N-O 3.4Å; L150-G153 PolarHBondContact N-O 3.21Å
154D98.2Very high98.4Very high100 Ų10036.8 Ų36.854%0.53521%0.209SC..THydrogen-bonded Turntrans-110.31.3-176-74.3-49.1000113.9G148 K149G148-D154 WeakPolarHBondContact CA-OD1 3.48Å; K149-D154 PolarHBondContact N-OD1 3.07Å
155K98Very high98.4Very high129 Ų12932 Ų3256%0.56119%0.19SC*.SBendtrans-109.1147.6179.1-64.9-178.3-173.3173.40110.6E87 L150 T157E87-K155 IonicContact OE1-NZ 3.54Å; E87-K155 PolarHBondContact OE1-NZ 2.99Å; E87-K155 IonicContact OE2-NZ 3.53Å; L150-K155 VanDerWaalsContact CD1-C 3.42Å; K155-T157 PolarHBondContact O-N 3.13Å
156V98.7Very high98.5Very high23 Ų2329.1 Ų29.114%0.13916%0.161CC..  trans-62.3130.3177.8179.50000109.5A26 M84 L150 L161 L192A26-V156 HydrophobicContact CB-CG1 4.28Å; M84-V156 WeakPolarHBondContact CG-O 3.46Å; M84-V156 HydrophobicContact SD-CG1 4.27Å; L150-V156 HydrophobicContact CD1-CG2 4.04Å; V156-L161 HydrophobicContact CG1-CD2 3.9Å; V156-L161 HydrophobicContact CG1-CG 4.36Å; V156-L192 HydrophobicContact CG1-CD1 4.11Å; V156-L192 HydrophobicContact CG2-CD1 3.83Å
157T98.9Very high98.4Very high6 Ų628 Ų284%0.03715%0.153CC..  trans-122.3167.2173.963.30000110.5M84 V95 V152 K155 A159 D160M84-T157 CarbonylContact O-C 3.33Å; M84-T157 VanDerWaalsContact O-CA 3.29Å; M84-T157 WeakPolarHBondContact O-CA 3.48Å; V95-T157 HydrophobicContact CG2-CG2 3.8Å; V152-T157 HydrophobicContact CB-CG2 4.33Å; K155-T157 PolarHBondContact O-N 3.13Å; T157-A159 PolarHBondContact O-N 2.8Å; T157-D160 PolarHBondContact N-OD2 3.03Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.87Å; T157-D160 VanDerWaalsContact O-N 3.15Å; T157-D160 PolarHBondContact OG1-OD2 3.44Å
158L98.9Very high98.4Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-58.4-30.8173.7-179.358.4000112.3T23 A75 R76 A79 M84 M85 I99 D160 L161 V162T23-L158 WeakPolarHBondContact OG1-CD1 3.43Å; A75-L158 HydrophobicContact CB-CD1 3.81Å; A75-L158 HydrophobicContact CB-CD2 4.11Å; R76-L158 HydrophobicContact CB-CD2 4.29Å; R76-L158 HydrophobicContact CG-CD2 3.63Å; A79-L158 HydrophobicContact CB-CB 3.79Å; A79-L158 HydrophobicContact CB-CD2 4.17Å; A79-L158 HydrophobicContact CB-CG 4.39Å; M84-L158 PolarHBondContact O-N 3.08Å; M85-L158 HydrophobicContact SD-CB 3.64Å; M85-L158 HydrophobicContact SD-CD2 3.77Å; M85-L158 HydrophobicContact SD-CG 4.35Å; I99-L158 HydrophobicContact CD1-CB 4.12Å; I99-L158 HydrophobicContact CD1-CD2 3.76Å; I99-L158 HydrophobicContact CD1-CG 3.77Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 2.73Å; L158-L161 VanDerWaalsContact O-N 3.13Å; L158-V162 HydrophobicContact CD1-CG2 3.92Å; L158-V162 HydrophobicContact CG-CG2 4.02Å; L158-V162 WeakPolarHBondContact O-CG2 3.43Å; L158-V162 PolarHBondContact O-N 3.15Å
159A98.9Very high98.4Very high1 Ų121.5 Ų21.51%0.00811%0.107CC..Hα-helixtrans-59.6-40.2177.300000112.2V95 L98 I99 A151 T157 L161 L163V95-A159 HydrophobicContact CB-CB 4.37Å; V95-A159 HydrophobicContact CG1-CB 4.03Å; V95-A159 HydrophobicContact CG2-CB 4.49Å; L98-A159 HydrophobicContact CB-CB 4.03Å; L98-A159 HydrophobicContact CD2-CB 4.09Å; L98-A159 HydrophobicContact CG-CB 4.45Å; I99-A159 HydrophobicContact CG1-CB 4.25Å; A151-A159 HydrophobicContact CB-CB 3.95Å; T157-A159 PolarHBondContact O-N 2.8Å; A159-L161 VanDerWaalsContact C-N 3.3Å; A159-L161 PolarHBondContact O-N 3.11Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.34Å
160D98.9Very high98.4Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-59.4-43.7174.9-63-72.3000111.8A151 T157 L158 I164 H188 L192A151-D160 HydrophobicContact CB-CB 4.47Å; A151-D160 WeakPolarHBondContact CB-OD1 3.35Å; A151-D160 PolarHBondContact N-OD1 3.47Å; T157-D160 PolarHBondContact N-OD2 3.03Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.87Å; T157-D160 VanDerWaalsContact O-N 3.15Å; T157-D160 PolarHBondContact OG1-OD2 3.44Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.42Å; D160-I164 WeakPolarHBondContact O-CG1 3.44Å; D160-I164 PolarHBondContact O-N 3.39Å; D160-I164 VanDerWaalsContact O-N 3.1Å; D160-H188 IonicContact OD1-CD2 2.8Å; D160-H188 PolarHBondContact OD1-CD2 3.39Å; D160-H188 IonicContact OD1-CE1 2.64Å; D160-H188 IonicContact OD1-NE2 3.16Å; D160-H188 PolarHBondContact OD1-NE2 2.91Å; D160-L192 HydrophobicContact CB-CD1 3.8Å; D160-L192 HydrophobicContact CB-CD2 4.01Å; D160-L192 HydrophobicContact CB-CG 4.48Å
161L98.8Very high98.3Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-72.5-46.6-174-49.9-177.8000110.9M22 T23 A26 V156 L158 A159 L163 I164 A165 L199M22-L161 HydrophobicContact CB-CB 4.16Å; M22-L161 HydrophobicContact CB-CD1 4.19Å; M22-L161 HydrophobicContact CB-CD2 4.24Å; M22-L161 HydrophobicContact CB-CG 4.42Å; M22-L161 HydrophobicContact CE-CB 4.17Å; M22-L161 WeakPolarHBondContact CE-O 3.26Å; T23-L161 WeakPolarHBondContact OG1-CD1 3.31Å; A26-L161 HydrophobicContact CB-CD1 4.37Å; V156-L161 HydrophobicContact CG1-CD2 3.9Å; V156-L161 HydrophobicContact CG1-CG 4.36Å; L158-L161 PolarHBondContact O-N 2.73Å; L158-L161 VanDerWaalsContact O-N 3.13Å; A159-L161 VanDerWaalsContact C-N 3.3Å; A159-L161 PolarHBondContact O-N 3.11Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.21Å; L161-I164 PolarHBondContact O-N 3.29Å; L161-A165 PolarHBondContact O-N 3.14Å; L161-L199 HydrophobicContact CD2-CD1 4.26Å; L161-L199 HydrophobicContact CD2-CD2 3.57Å
162V98.9Very high98.2Very high3 Ų319.9 Ų19.92%0.01811%0.106CC..Hα-helixtrans-60.7-43175.5176.60000110.1L72 I99 A102 L158 I164 A165 V166L72-V162 HydrophobicContact CD2-CG2 3.89Å; I99-V162 HydrophobicContact CG1-CB 4.43Å; I99-V162 HydrophobicContact CG1-CG2 4.25Å; I99-V162 HydrophobicContact CG2-CG1 4.45Å; A102-V162 HydrophobicContact CB-CG1 3.8Å; L158-V162 HydrophobicContact CD1-CG2 3.92Å; L158-V162 HydrophobicContact CG-CG2 4.02Å; L158-V162 WeakPolarHBondContact O-CG2 3.43Å; L158-V162 PolarHBondContact O-N 3.15Å; V162-I164 PolarHBondContact O-N 3.13Å; V162-A165 PolarHBondContact O-N 3.13Å; V162-V166 HydrophobicContact CG1-CG2 4.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 3.23Å; V162-V166 VanDerWaalsContact O-N 3.08Å
163L98.8Very high98.1Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-59.7-44.2178.9178.556.1000112.2L98 I139 L143 A159 L161 A165 V166 I167L98-L163 HydrophobicContact CD2-CD2 4.14Å; I139-L163 HydrophobicContact CD1-CD1 4.17Å; I139-L163 HydrophobicContact CG2-CD1 3.68Å; I139-L163 HydrophobicContact CG2-CD2 4.13Å; L143-L163 HydrophobicContact CD1-CD2 4.1Å; L143-L163 HydrophobicContact CD2-CD2 3.92Å; L143-L163 HydrophobicContact CG-CD2 4.39Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.34Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.21Å; L163-A165 PolarHBondContact O-N 3.16Å; L163-V166 PolarHBondContact O-N 3.33Å; L163-I167 HydrophobicContact CD1-CD1 3.63Å; L163-I167 HydrophobicContact CD1-CG1 3.91Å; L163-I167 HydrophobicContact CD2-CD1 4.43Å; L163-I167 HydrophobicContact CG-CD1 3.6Å; L163-I167 HydrophobicContact CG-CG1 4.38Å; L163-I167 VanDerWaalsContact O-CD1 3.29Å; L163-I167 WeakPolarHBondContact O-CD1 3.35Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.97Å
164I98.1Very high98.1Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-60.4-45.9175.9-68.8-60.1000112.2M22 D160 L161 V162 V166 I167 D168 R189 L192 L203M22-I164 HydrophobicContact SD-CG2 4.32Å; D160-I164 WeakPolarHBondContact O-CG1 3.44Å; D160-I164 PolarHBondContact O-N 3.39Å; D160-I164 VanDerWaalsContact O-N 3.1Å; L161-I164 PolarHBondContact O-N 3.29Å; V162-I164 PolarHBondContact O-N 3.13Å; I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 2.99Å; I164-I167 PolarHBondContact O-N 3.37Å; I164-D168 VanDerWaalsContact O-CG 3.3Å; I164-D168 PolarHBondContact O-N 3.37Å; I164-R189 HydrophobicContact CD1-CB 3.88Å; I164-R189 HydrophobicContact CD1-CG 3.89Å; I164-L192 HydrophobicContact CD1-CD2 3.98Å; I164-L192 HydrophobicContact CG1-CD2 3.37Å; I164-L203 HydrophobicContact CG2-CD1 4.12Å; I164-L203 HydrophobicContact CG2-CD2 4.43Å
165A98.1Very high98Very high10 Ų1028 Ų288%0.08314%0.138CC..Hα-helixtrans-57.3-47-179.900000111.3E18 M22 L161 V162 L163 D168 H169E18-A165 HydrophobicContact CB-CB 4.45Å; M22-A165 HydrophobicContact CE-CB 3.88Å; L161-A165 PolarHBondContact O-N 3.14Å; V162-A165 PolarHBondContact O-N 3.13Å; L163-A165 PolarHBondContact O-N 3.16Å; A165-D168 PolarHBondContact O-N 2.83Å; A165-H169 PolarHBondContact O-N 2.7Å; A165-H169 VanDerWaalsContact O-N 3.15Å
166V98.3Very high98Very high2 Ų223.5 Ų23.51%0.01213%0.129CC..Hα-helixtrans-66.2-42.1-179.91710000112A102 V105 E106 V162 L163 I164 D168 H169 V170A102-V166 HydrophobicContact CB-CB 4.45Å; A102-V166 HydrophobicContact CB-CG2 4.04Å; A102-V166 WeakPolarHBondContact O-CG1 3.31Å; V105-V166 HydrophobicContact CB-CG1 3.53Å; V105-V166 HydrophobicContact CG1-CG1 3.34Å; V105-V166 HydrophobicContact CG2-CG1 4.4Å; E106-V166 HydrophobicContact CB-CG2 3.96Å; E106-V166 HydrophobicContact CG-CG2 4.38Å; V162-V166 HydrophobicContact CG1-CG2 4.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 3.23Å; V162-V166 VanDerWaalsContact O-N 3.08Å; L163-V166 PolarHBondContact O-N 3.33Å; I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 2.99Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.93Å; V166-H169 PolarHBondContact O-N 3.06Å; V166-V170 PolarHBondContact O-N 3.23Å; V166-V170 VanDerWaalsContact O-N 3.09Å
167I98Very high97.9Very high2 Ų222.9 Ų22.91%0.0113%0.125CC..Hα-helixtrans-61.7-43.7176.4-68.5157000110.5L163 I164 H169 V170 T171 L178 I185L163-I167 HydrophobicContact CD1-CD1 3.63Å; L163-I167 HydrophobicContact CD1-CG1 3.91Å; L163-I167 HydrophobicContact CD2-CD1 4.43Å; L163-I167 HydrophobicContact CG-CD1 3.6Å; L163-I167 HydrophobicContact CG-CG1 4.38Å; L163-I167 VanDerWaalsContact O-CD1 3.29Å; L163-I167 WeakPolarHBondContact O-CD1 3.35Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.97Å; I164-I167 PolarHBondContact O-N 3.37Å; I167-H169 VanDerWaalsContact C-N 3.31Å; I167-H169 PolarHBondContact O-N 3.05Å; I167-V170 PolarHBondContact O-N 2.98Å; I167-T171 HydrophobicContact CG2-CG2 4.48Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 3.46Å; I167-L178 HydrophobicContact CG2-CD2 3.85Å; I167-I185 HydrophobicContact CD1-CG2 3.36Å; I167-I185 HydrophobicContact CG1-CG2 3.88Å; I167-I185 HydrophobicContact CG2-CG2 4.34Å
168D97.1Very high97.9Very high11 Ų1123.1 Ų23.16%0.05913%0.126CC..Hα-helixtrans-59.1-45.1178.8-69.4-34.7000110.6R14 I164 A165 V166 V170 T171 D172 R189 R206R14-D168 VanDerWaalsContact NH1-CB 3.34Å; I164-D168 VanDerWaalsContact O-CG 3.3Å; I164-D168 PolarHBondContact O-N 3.37Å; A165-D168 PolarHBondContact O-N 2.83Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.93Å; D168-V170 VanDerWaalsContact C-N 3.34Å; D168-V170 PolarHBondContact O-N 2.84Å; D168-T171 WeakPolarHBondContact CA-OG1 3.39Å; D168-T171 CarbonylContact O-C 3.58Å; D168-T171 PolarHBondContact O-N 3.4Å; D168-T171 VanDerWaalsContact O-N 3.11Å; D168-T171 PolarHBondContact O-OG1 3.33Å; D168-D172 PolarHBondContact O-N 2.98Å; D168-D172 VanDerWaalsContact O-OD2 3.09Å; D168-R189 IonicContact OD1-CZ 2.89Å; D168-R189 VanDerWaalsContact OD1-CZ 3.23Å; D168-R189 IonicContact OD1-NH1 2.77Å; D168-R189 PolarHBondContact OD1-NH1 3.45Å; D168-R189 IonicContact OD1-NH2 2.88Å; D168-R189 PolarHBondContact OD1-NH2 3.28Å; D168-R206 IonicContact OD1-NH2 3.59Å; D168-R206 IonicContact OD2-CZ 2.74Å; D168-R206 IonicContact OD2-NH1 2.66Å; D168-R206 PolarHBondContact OD2-NH1 2.66Å; D168-R206 IonicContact OD2-NH2 3.94Å; D168-R206 PolarHBondContact OD2-NH2 3.32Å
169H97.9Very high97.9Very high1 Ų128 Ų281%0.00516%0.155CC..Hα-helixtrans-59-41.2176.2-70.1161.6000113.4R14 E106 Y109 A165 V166 I167 D172 L173 F211R14-H169 PolarHBondContact NH1-CD2 2.9Å; E106-H169 IonicContact OE1-CE1 2.9Å; E106-H169 PolarHBondContact OE1-CE1 3.05Å; E106-H169 IonicContact OE1-ND1 3.86Å; E106-H169 PolarHBondContact OE1-ND1 3.14Å; E106-H169 IonicContact OE2-CE1 2.74Å; E106-H169 IonicContact OE2-CG 3.6Å; E106-H169 IonicContact OE2-ND1 3.47Å; E106-H169 PolarHBondContact OE2-ND1 3.41Å; Y109-H169 HydrophobicContact CD1-CB 3.9Å; Y109-H169 AromaticContact CD1-CG 3.91Å; Y109-H169 AromaticContact CD1-ND1 3.78Å; Y109-H169 HydrophobicContact CD2-CB 3.65Å; Y109-H169 HydrophobicContact CE1-CB 3.94Å; Y109-H169 AromaticContact CE1-CD2 3.99Å; Y109-H169 AromaticContact CE1-CG 3.63Å; Y109-H169 AromaticContact CE1-ND1 3.68Å; Y109-H169 HydrophobicContact CE2-CB 3.67Å; Y109-H169 HydrophobicContact CG-CB 3.76Å; Y109-H169 AromaticContact CZ-CD2 3.87Å; Y109-H169 AromaticContact CZ-CG 3.74Å; A165-H169 PolarHBondContact O-N 2.7Å; A165-H169 VanDerWaalsContact O-N 3.15Å; V166-H169 PolarHBondContact O-N 3.06Å; I167-H169 VanDerWaalsContact C-N 3.31Å; I167-H169 PolarHBondContact O-N 3.05Å; H169-D172 WeakPolarHBondContact CA-OD2 3.4Å; H169-D172 IonicContact CD2-OD2 3.98Å; H169-D172 WeakPolarHBondContact O-CB 3.42Å; H169-D172 PolarHBondContact O-N 2.81Å; H169-L173 PolarHBondContact O-N 3.47Å; H169-F211 PolarHBondContact NE2-OXT 3.33Å; H169-F211 VanDerWaalsContact NE2-OXT 3.13Å
170V98.2Very high97.8Very high2 Ų232.1 Ų32.11%0.01220%0.198CC..Hα-helixtrans-65.3-40.61751720000111.1V105 L128 V132 F136 V166 I167 D168 D172 L173 D174 F177 L178V105-V170 HydrophobicContact CG1-CG2 3.62Å; L128-V170 HydrophobicContact CD2-CG1 4.17Å; V132-V170 HydrophobicContact CG1-CG1 4.14Å; V132-V170 HydrophobicContact CG1-CG2 4.21Å; F136-V170 HydrophobicContact CE2-CB 4.38Å; F136-V170 HydrophobicContact CE2-CG1 4.29Å; F136-V170 HydrophobicContact CE2-CG2 3.81Å; F136-V170 HydrophobicContact CZ-CB 3.9Å; F136-V170 HydrophobicContact CZ-CG1 3.83Å; F136-V170 HydrophobicContact CZ-CG2 3.81Å; V166-V170 PolarHBondContact O-N 3.23Å; V166-V170 VanDerWaalsContact O-N 3.09Å; I167-V170 PolarHBondContact O-N 2.98Å; D168-V170 VanDerWaalsContact C-N 3.34Å; D168-V170 PolarHBondContact O-N 2.84Å; V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 3.02Å; V170-L173 WeakPolarHBondContact O-CB 3.36Å; V170-L173 PolarHBondContact O-N 2.9Å; V170-L173 VanDerWaalsContact O-N 3.16Å; V170-D174 PolarHBondContact O-N 3.49Å; V170-D174 VanDerWaalsContact O-N 3.13Å; V170-F177 HydrophobicContact CG1-CB 4.41Å; V170-F177 HydrophobicContact CG1-CD1 3.46Å; V170-F177 VanDerWaalsContact CG1-CD1 3.46Å; V170-F177 HydrophobicContact CG1-CE1 3.93Å; V170-F177 HydrophobicContact CG1-CG 4.02Å; V170-L178 HydrophobicContact CG1-CD1 4.37Å
171T96.9Very high97.8Very high36 Ų3637.5 Ų37.522%0.22122%0.221CC..Hα-helixtrans-69.7-22176.356.30000114.1I167 D168 L173 D174 K175 L178I167-T171 HydrophobicContact CG2-CG2 4.48Å; I167-T171 PolarHBondContact O-N 3.4Å; I167-T171 PolarHBondContact O-OG1 3.46Å; D168-T171 WeakPolarHBondContact CA-OG1 3.39Å; D168-T171 CarbonylContact O-C 3.58Å; D168-T171 PolarHBondContact O-N 3.4Å; D168-T171 VanDerWaalsContact O-N 3.11Å; D168-T171 PolarHBondContact O-OG1 3.33Å; T171-L173 VanDerWaalsContact C-N 3.32Å; T171-D174 CarbonylContact O-C 3.55Å; T171-D174 VanDerWaalsContact O-C 3.28Å; T171-K175 WeakPolarHBondContact O-CA 3.48Å; T171-K175 WeakPolarHBondContact O-CG 3.47Å; T171-K175 PolarHBondContact O-N 2.92Å; T171-K175 VanDerWaalsContact O-N 3.13Å; T171-L178 HydrophobicContact CG2-CD1 3.56Å
172D95.6Very high97.7Very high76 Ų7638.6 Ų38.641%0.40623%0.226SC..Hα-helixtrans-70.1-31.8171.1-64.2-46.2000112.1R14 D168 H169 V170R14-D172 IonicContact CZ-OD2 2.8Å; R14-D172 IonicContact NH1-OD2 2.97Å; R14-D172 PolarHBondContact NH1-OD2 3.01Å; R14-D172 VanDerWaalsContact NH2-CG 3.34Å; R14-D172 IonicContact NH2-OD1 3.41Å; R14-D172 PolarHBondContact NH2-OD1 2.97Å; R14-D172 IonicContact NH2-OD2 3.19Å; R14-D172 PolarHBondContact NH2-OD2 2.83Å; D168-D172 PolarHBondContact O-N 2.98Å; D168-D172 VanDerWaalsContact O-OD2 3.09Å; H169-D172 WeakPolarHBondContact CA-OD2 3.4Å; H169-D172 IonicContact CD2-OD2 3.98Å; H169-D172 WeakPolarHBondContact O-CB 3.42Å; H169-D172 PolarHBondContact O-N 2.81Å; V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 3.02Å
173L97Very high97.7Very high29 Ų2942.5 Ų42.515%0.15225%0.251CS..Hα-helixtrans-74.5-43.2175.4-61.7-175.3000111.8Y109 T112 T124 I127 L128 H169 V170 T171Y109-L173 HydrophobicContact CD2-CD1 3.84Å; Y109-L173 HydrophobicContact CD2-CD2 4.14Å; Y109-L173 HydrophobicContact CD2-CG 3.91Å; Y109-L173 HydrophobicContact CE2-CD2 4.05Å; Y109-L173 HydrophobicContact CE2-CG 4.15Å; T112-L173 HydrophobicContact CG2-CD1 3.9Å; T112-L173 HydrophobicContact CG2-CD2 4.08Å; T124-L173 HydrophobicContact CG2-CB 3.93Å; I127-L173 HydrophobicContact CD1-CD1 3.76Å; L128-L173 HydrophobicContact CD1-CB 4.28Å; H169-L173 PolarHBondContact O-N 3.47Å; V170-L173 WeakPolarHBondContact O-CB 3.36Å; V170-L173 PolarHBondContact O-N 2.9Å; V170-L173 VanDerWaalsContact O-N 3.16Å; T171-L173 VanDerWaalsContact C-N 3.32Å
174D97.6Very high97.7Very high71 Ų7144.9 Ų44.938%0.3826%0.262SS..  trans-148.3107.6174.8176.77.9000110.7L128 V170 T171 G176 F177L128-D174 HydrophobicContact CD1-CB 3.56Å; V170-D174 PolarHBondContact O-N 3.49Å; V170-D174 VanDerWaalsContact O-N 3.13Å; T171-D174 CarbonylContact O-C 3.55Å; T171-D174 VanDerWaalsContact O-C 3.28Å; D174-G176 PolarHBondContact O-N 2.84Å; D174-G176 VanDerWaalsContact O-N 3.14Å; D174-G176 WeakPolarHBondContact OD1-CA 3.49Å; D174-G176 PolarHBondContact OD1-N 3.29Å; D174-F177 HydrophobicContact CB-CB 4.09Å; D174-F177 VanDerWaalsContact O-CB 3.29Å; D174-F177 WeakPolarHBondContact O-CB 3.39Å; D174-F177 PolarHBondContact O-N 3.08Å
175K96.2Very high97.7Very high185 Ų18545 Ų4580%0.80426%0.263SS*.THydrogen-bonded Turntrans-60.9-23.4178.9-65.1-175178.9-176.90113.1T171T171-K175 WeakPolarHBondContact O-CA 3.48Å; T171-K175 WeakPolarHBondContact O-CG 3.47Å; T171-K175 PolarHBondContact O-N 2.92Å; T171-K175 VanDerWaalsContact O-N 3.13Å
176G97.4Very high97.8Very high35 Ų3548.8 Ų48.836%0.36128%0.279SS..THydrogen-bonded Turntrans-89.7-5.7178.900000114.2D174 L178 T179D174-G176 PolarHBondContact O-N 2.84Å; D174-G176 VanDerWaalsContact O-N 3.14Å; D174-G176 WeakPolarHBondContact OD1-CA 3.49Å; D174-G176 PolarHBondContact OD1-N 3.29Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.04Å; G176-T179 WeakPolarHBondContact O-CB 3.47Å; G176-T179 PolarHBondContact O-N 3.2Å; G176-T179 PolarHBondContact O-OG1 2.83Å
177F98.3Very high97.8Very high11 Ų1153.1 Ų53.15%0.04830%0.297CS..THydrogen-bonded Turntrans-59.2-38.7-169.5-174.7-102.1000113.3L128 V132 P133 F136 V170 D174 Y182L128-F177 HydrophobicContact CB-CD2 4.25Å; L128-F177 HydrophobicContact CB-CE2 4.03Å; L128-F177 HydrophobicContact CD1-CD2 4.38Å; L128-F177 HydrophobicContact CD2-CD2 3.91Å; L128-F177 HydrophobicContact CD2-CE2 3.92Å; L128-F177 HydrophobicContact CD2-CG 4.36Å; L128-F177 HydrophobicContact CD2-CZ 4.36Å; L128-F177 HydrophobicContact CG-CD2 4.41Å; L128-F177 HydrophobicContact CG-CE2 4.48Å; L128-F177 WeakPolarHBondContact O-CE2 3.33Å; V132-F177 HydrophobicContact CB-CZ 4.35Å; V132-F177 HydrophobicContact CG1-CE1 3.74Å; V132-F177 HydrophobicContact CG1-CZ 3.66Å; P133-F177 HydrophobicContact CG-CE2 4.24Å; P133-F177 HydrophobicContact CG-CZ 3.93Å; F136-F177 HydrophobicContact CD1-CE1 4.09Å; F136-F177 HydrophobicContact CE1-CD1 4.43Å; F136-F177 HydrophobicContact CE1-CE1 4.19Å; F136-F177 HydrophobicContact CG-CE1 4.3Å; F136-F177 HydrophobicContact CZ-CE1 4.47Å; V170-F177 HydrophobicContact CG1-CB 4.41Å; V170-F177 HydrophobicContact CG1-CD1 3.46Å; V170-F177 VanDerWaalsContact CG1-CD1 3.46Å; V170-F177 HydrophobicContact CG1-CE1 3.93Å; V170-F177 HydrophobicContact CG1-CG 4.02Å; D174-F177 HydrophobicContact CB-CB 4.09Å; D174-F177 VanDerWaalsContact O-CB 3.29Å; D174-F177 WeakPolarHBondContact O-CB 3.39Å; D174-F177 PolarHBondContact O-N 3.08Å; F177-Y182 HydrophobicContact CD1-CE2 4.23Å; F177-Y182 AromaticContact CE1-CE2 3.77Å; F177-Y182 HydrophobicContact CE1-CE2 3.77Å; F177-Y182 HydrophobicContact CZ-CE2 4.33Å
178L97.9Very high97.8Very high11 Ų1153.2 Ų53.26%0.05830%0.298CS..THydrogen-bonded Turntrans-90.3-5.8-179.9-74.884.7000113.2F136 I167 V170 T171 G176 G180 K181 Y182 I185 H186F136-L178 HydrophobicContact CE1-CD1 4.06Å; F136-L178 HydrophobicContact CE1-CD2 4.22Å; F136-L178 HydrophobicContact CE1-CG 4.16Å; I167-L178 HydrophobicContact CG2-CD2 3.85Å; V170-L178 HydrophobicContact CG1-CD1 4.37Å; T171-L178 HydrophobicContact CG2-CD1 3.56Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.04Å; L178-G180 PolarHBondContact O-N 3.31Å; L178-G180 VanDerWaalsContact O-N 3.17Å; L178-K181 PolarHBondContact O-N 2.87Å; L178-K181 VanDerWaalsContact O-N 3.08Å; L178-Y182 HydrophobicContact CG-CD2 4.25Å; L178-I185 HydrophobicContact CD2-CG2 3.64Å; L178-H186 PolarHBondContact O-NE2 2.84Å
179T98Very high97.9Very high102 Ų10256.2 Ų56.263%0.62631%0.308SS*.THydrogen-bonded Turntrans-64.4118.9-174.5-61.50000111G176 K181G176-T179 WeakPolarHBondContact O-CB 3.47Å; G176-T179 PolarHBondContact O-N 3.2Å; G176-T179 PolarHBondContact O-OG1 2.83Å; T179-K181 PolarHBondContact O-N 2.9Å
180G97.7Very high97.9Very high88 Ų8861.4 Ų61.491%0.90733%0.333SS*.THydrogen-bonded Turntrans69.313.5-178.400000114.5L178L178-G180 PolarHBondContact O-N 3.31Å; L178-G180 VanDerWaalsContact O-N 3.17Å
181K98.1Very high97.9Very high112 Ų11262.6 Ų62.649%0.48734%0.339SS..  trans-130.5162.3-177.8-60.7177.8-171.9170.50110.6L178 T179 H186L178-K181 PolarHBondContact O-N 2.87Å; L178-K181 VanDerWaalsContact O-N 3.08Å; T179-K181 PolarHBondContact O-N 2.9Å; K181-H186 PolarHBondContact O-CD2 3.35Å; K181-H186 PolarHBondContact O-NE2 3.22Å
182Y98.4Very high98Very high24 Ų2460.9 Ų60.99%0.09433%0.328CS..  trans51.556.3172.7-43-67.3000114.2F136 F177 L178 E184 I185 H186F136-Y182 HydrophobicContact CB-CD1 4.02Å; F136-Y182 HydrophobicContact CB-CE1 3.65Å; F136-Y182 HydrophobicContact CB-CE2 4.4Å; F136-Y182 HydrophobicContact CD1-CD1 4.4Å; F136-Y182 AromaticContact CD1-CD2 3.85Å; F136-Y182 HydrophobicContact CD1-CD2 3.85Å; F136-Y182 HydrophobicContact CD1-CE1 4.48Å; F136-Y182 AromaticContact CD1-CE2 3.93Å; F136-Y182 HydrophobicContact CD1-CE2 3.93Å; F136-Y182 HydrophobicContact CD1-CG 4.09Å; F177-Y182 HydrophobicContact CD1-CE2 4.23Å; F177-Y182 AromaticContact CE1-CE2 3.77Å; F177-Y182 HydrophobicContact CE1-CE2 3.77Å; F177-Y182 HydrophobicContact CZ-CE2 4.33Å; L178-Y182 HydrophobicContact CG-CD2 4.25Å; Y182-E184 PolarHBondContact O-N 2.92Å; Y182-E184 VanDerWaalsContact O-N 3.12Å; Y182-I185 HydrophobicContact CG-CD1 4.39Å; Y182-I185 WeakPolarHBondContact O-CB 3.41Å; Y182-I185 PolarHBondContact O-N 3.26Å; Y182-H186 PolarHBondContact O-CD2 2.83Å; Y182-H186 VanDerWaalsContact O-CD2 3.3Å; Y182-H186 PolarHBondContact O-N 2.8Å
183P98.4Very high98.1Very high85 Ų8560 Ų6055%0.55232%0.323SS*.Hα-helixtrans-56.9-29.6-176.724.2-33.2000113.3I185 H186 K187P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.98Å; P183-H186 PolarHBondContact O-N 2.84Å; P183-K187 WeakPolarHBondContact O-CB 3.36Å; P183-K187 PolarHBondContact O-N 2.81Å
184E98.7Very high98.2Very high50 Ų5062.5 Ų62.523%0.23435%0.348CS..Hα-helixtrans-62.2-40.6175.8-63.272.3-163.500112C140 L143 K144 Y182 K187 H188C140-E184 HydrophobicContact CB-CB 4.21Å; C140-E184 HydrophobicContact CB-CG 4.28Å; L143-E184 HydrophobicContact CB-CB 4.18Å; L143-E184 HydrophobicContact CD1-CB 4.09Å; K144-E184 HydrophobicContact CD-CG 4.42Å; K144-E184 VanDerWaalsContact CE-CD 3.4Å; K144-E184 WeakPolarHBondContact CE-OE1 3.45Å; K144-E184 HydrophobicContact CG-CG 3.79Å; K144-E184 IonicContact NZ-OE1 3.55Å; Y182-E184 PolarHBondContact O-N 2.92Å; Y182-E184 VanDerWaalsContact O-N 3.12Å; E184-K187 PolarHBondContact O-N 2.86Å; E184-H188 VanDerWaalsContact O-CB 3.29Å; E184-H188 WeakPolarHBondContact O-CB 3.47Å; E184-H188 PolarHBondContact O-N 2.89Å
185I98.7Very high98.2Very high2 Ų262 Ų621%0.0135%0.35CS..Hα-helixtrans-69.1-41.7178.2-71.2177.6000110.8F136 I139 L143 I167 L178 Y182 P183 K187 H188 R189F136-I185 HydrophobicContact CB-CD1 4.47Å; F136-I185 HydrophobicContact CD1-CD1 3.34Å; F136-I185 HydrophobicContact CE1-CD1 3.69Å; F136-I185 HydrophobicContact CG-CD1 4.08Å; I139-I185 HydrophobicContact CG2-CD1 4.16Å; I139-I185 HydrophobicContact CG2-CG1 4.21Å; L143-I185 HydrophobicContact CD1-CG1 3.91Å; I167-I185 HydrophobicContact CD1-CG2 3.36Å; I167-I185 HydrophobicContact CG1-CG2 3.88Å; I167-I185 HydrophobicContact CG2-CG2 4.34Å; L178-I185 HydrophobicContact CD2-CG2 3.64Å; Y182-I185 HydrophobicContact CG-CD1 4.39Å; Y182-I185 WeakPolarHBondContact O-CB 3.41Å; Y182-I185 PolarHBondContact O-N 3.26Å; P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.98Å; I185-K187 VanDerWaalsContact C-N 3.35Å; I185-H188 PolarHBondContact O-N 2.82Å; I185-R189 PolarHBondContact O-N 2.64Å; I185-R189 VanDerWaalsContact O-N 3.13Å
186H98.5Very high98.3Very high90 Ų9053.6 Ų53.642%0.41732%0.315SS..Hα-helixtrans-61.4-46.1174.1-69.8-72.1000111.2L178 K181 Y182 P183 H188 R189 E190L178-H186 PolarHBondContact O-NE2 2.84Å; K181-H186 PolarHBondContact O-CD2 3.35Å; K181-H186 PolarHBondContact O-NE2 3.22Å; Y182-H186 PolarHBondContact O-CD2 2.83Å; Y182-H186 VanDerWaalsContact O-CD2 3.3Å; Y182-H186 PolarHBondContact O-N 2.8Å; P183-H186 PolarHBondContact O-N 2.84Å; H186-H188 VanDerWaalsContact C-N 3.35Å; H186-H188 PolarHBondContact O-N 2.57Å; H186-R189 PolarHBondContact O-N 2.8Å; H186-E190 PolarHBondContact O-N 3.14Å; H186-E190 VanDerWaalsContact O-N 3.08Å
187K98.5Very high98.3Very high92 Ų9256.8 Ų56.840%0.433%0.329SS..Hα-helixtrans-65.4-38.7179.6-165.273-154.9162.90111.9P183 E184 I185 E190 N191P183-K187 WeakPolarHBondContact O-CB 3.36Å; P183-K187 PolarHBondContact O-N 2.81Å; E184-K187 PolarHBondContact O-N 2.86Å; I185-K187 VanDerWaalsContact C-N 3.35Å; K187-E190 IonicContact NZ-OE1 3.91Å; K187-E190 PolarHBondContact NZ-OE1 3.22Å; K187-E190 IonicContact NZ-OE2 3.74Å; K187-E190 PolarHBondContact NZ-OE2 3.17Å; K187-E190 PolarHBondContact O-N 3.06Å; K187-N191 VanDerWaalsContact CE-OD1 3.31Å; K187-N191 WeakPolarHBondContact CE-OD1 3.5Å; K187-N191 WeakPolarHBondContact O-CB 2.93Å; K187-N191 PolarHBondContact O-N 2.89Å; K187-N191 PolarHBondContact O-ND2 3.3Å
188H98.8Very high98.3Very high5 Ų563.3 Ų63.32%0.02335%0.353CS..Hα-helixtrans-56.4-51.9173.5168.6-94.6000111.4L143 D160 E184 I185 H186 E190 N191 L192L143-H188 HydrophobicContact CD1-CB 4.07Å; L143-H188 HydrophobicContact CD2-CB 4.21Å; D160-H188 IonicContact OD1-CD2 2.8Å; D160-H188 PolarHBondContact OD1-CD2 3.39Å; D160-H188 IonicContact OD1-CE1 2.64Å; D160-H188 IonicContact OD1-NE2 3.16Å; D160-H188 PolarHBondContact OD1-NE2 2.91Å; E184-H188 VanDerWaalsContact O-CB 3.29Å; E184-H188 WeakPolarHBondContact O-CB 3.47Å; E184-H188 PolarHBondContact O-N 2.89Å; I185-H188 PolarHBondContact O-N 2.82Å; H186-H188 VanDerWaalsContact C-N 3.35Å; H186-H188 PolarHBondContact O-N 2.57Å; H188-E190 PolarHBondContact O-N 3.3Å; H188-N191 PolarHBondContact O-N 3.19Å; H188-L192 VanDerWaalsContact O-CB 3.31Å; H188-L192 WeakPolarHBondContact O-CB 3.47Å; H188-L192 PolarHBondContact O-N 3.47Å
189R98.5Very high98.3Very high73 Ų7362.8 Ų62.828%0.27535%0.351SS..Hα-helixtrans-59-46.7178.2-180176.4-68.3-129.7-3.4111.5I164 D168 I185 H186 N191 L192 L193I164-R189 HydrophobicContact CD1-CB 3.88Å; I164-R189 HydrophobicContact CD1-CG 3.89Å; D168-R189 IonicContact OD1-CZ 2.89Å; D168-R189 VanDerWaalsContact OD1-CZ 3.23Å; D168-R189 IonicContact OD1-NH1 2.77Å; D168-R189 PolarHBondContact OD1-NH1 3.45Å; D168-R189 IonicContact OD1-NH2 2.88Å; D168-R189 PolarHBondContact OD1-NH2 3.28Å; I185-R189 PolarHBondContact O-N 2.64Å; I185-R189 VanDerWaalsContact O-N 3.13Å; H186-R189 PolarHBondContact O-N 2.8Å; R189-N191 PolarHBondContact O-N 3.43Å; R189-L192 PolarHBondContact O-N 3.1Å; R189-L193 HydrophobicContact CG-CD1 4.26Å; R189-L193 HydrophobicContact CG-CG 4.45Å; R189-L193 VanDerWaalsContact O-CG 3.3Å; R189-L193 WeakPolarHBondContact O-CG 3.17Å; R189-L193 PolarHBondContact O-N 2.93Å
190E98.5Very high98.3Very high111 Ų11159.5 Ų59.552%0.51933%0.333SS..Hα-helixtrans-57.3-50.8177.6-172.1-164151.100111.4H186 K187 H188 L192 L193 A194H186-E190 PolarHBondContact O-N 3.14Å; H186-E190 VanDerWaalsContact O-N 3.08Å; K187-E190 IonicContact NZ-OE1 3.91Å; K187-E190 PolarHBondContact NZ-OE1 3.22Å; K187-E190 IonicContact NZ-OE2 3.74Å; K187-E190 PolarHBondContact NZ-OE2 3.17Å; K187-E190 PolarHBondContact O-N 3.06Å; H188-E190 PolarHBondContact O-N 3.3Å; E190-L192 PolarHBondContact O-N 3.4Å; E190-L193 PolarHBondContact O-N 2.74Å; E190-A194 WeakPolarHBondContact O-CB 3.39Å; E190-A194 PolarHBondContact O-N 3.19Å
191N98.7Very high98.3Very high27 Ų2762.2 Ų62.214%0.14432%0.32CS..Hα-helixtrans-63.6-40.5-179-69.6-16.3000111.9K149 L150 K187 H188 R189 A194 S195K149-N191 HydrophobicContact CB-CB 4.32Å; K149-N191 WeakPolarHBondContact O-CB 3.38Å; K149-N191 PolarHBondContact O-ND2 2.9Å; L150-N191 HydrophobicContact CD2-CB 3.92Å; K187-N191 VanDerWaalsContact CE-OD1 3.31Å; K187-N191 WeakPolarHBondContact CE-OD1 3.5Å; K187-N191 WeakPolarHBondContact O-CB 2.93Å; K187-N191 PolarHBondContact O-N 2.89Å; K187-N191 PolarHBondContact O-ND2 3.3Å; H188-N191 PolarHBondContact O-N 3.19Å; R189-N191 PolarHBondContact O-N 3.43Å; N191-A194 PolarHBondContact O-N 3.33Å; N191-S195 VanDerWaalsContact O-CB 3.28Å; N191-S195 WeakPolarHBondContact O-CB 3.42Å; N191-S195 PolarHBondContact O-N 2.86Å; N191-S195 PolarHBondContact O-OG 3.05Å
192L98.7Very high98.3Very high0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-63.6-46.4179.2176.762.1000111.7L150 V156 D160 I164 H188 R189 E190 A194 S195 S196 L199L150-L192 HydrophobicContact CD2-CB 4.08Å; L150-L192 HydrophobicContact CD2-CD1 4.44Å; V156-L192 HydrophobicContact CG1-CD1 4.11Å; V156-L192 HydrophobicContact CG2-CD1 3.83Å; D160-L192 HydrophobicContact CB-CD1 3.8Å; D160-L192 HydrophobicContact CB-CD2 4.01Å; D160-L192 HydrophobicContact CB-CG 4.48Å; I164-L192 HydrophobicContact CD1-CD2 3.98Å; I164-L192 HydrophobicContact CG1-CD2 3.37Å; H188-L192 VanDerWaalsContact O-CB 3.31Å; H188-L192 WeakPolarHBondContact O-CB 3.47Å; H188-L192 PolarHBondContact O-N 3.47Å; R189-L192 PolarHBondContact O-N 3.1Å; E190-L192 PolarHBondContact O-N 3.4Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.97Å; L192-S195 PolarHBondContact O-N 3.4Å; L192-S195 VanDerWaalsContact O-N 3.16Å; L192-S196 PolarHBondContact O-N 2.84Å; L192-L199 HydrophobicContact CD1-CD2 3.96Å; L192-L199 HydrophobicContact CD2-CD2 3.74Å; L192-L199 HydrophobicContact CG-CD2 3.78Å
193L98.2Very high98.2Very high57 Ų5758.7 Ų58.730%0.29831%0.306SS..Hα-helixtrans-65.3-36.8178.1-65.8-172.6000111.8R189 E190 S195 A200 L203R189-L193 HydrophobicContact CG-CD1 4.26Å; R189-L193 HydrophobicContact CG-CG 4.45Å; R189-L193 VanDerWaalsContact O-CG 3.3Å; R189-L193 WeakPolarHBondContact O-CG 3.17Å; R189-L193 PolarHBondContact O-N 2.93Å; E190-L193 PolarHBondContact O-N 2.74Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-A200 HydrophobicContact CB-CB 4.26Å; L193-A200 HydrophobicContact CD2-CB 4.15Å; L193-L203 HydrophobicContact CD2-CD1 3.66Å
194A98.3Very high98.2Very high81 Ų8158.8 Ų58.867%0.66931%0.309SS*.Hα-helixtrans-67-33.7173.400000112.5E190 N191 L192E190-A194 WeakPolarHBondContact O-CB 3.39Å; E190-A194 PolarHBondContact O-N 3.19Å; N191-A194 PolarHBondContact O-N 3.33Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.97Å
195S97.8Very high98.1Very high60 Ų6061.6 Ų61.642%0.4233%0.326SS..Hα-helixtrans-83.1-20.4-177.2-56.30000113.5N191 L192 L193N191-S195 VanDerWaalsContact O-CB 3.28Å; N191-S195 WeakPolarHBondContact O-CB 3.42Å; N191-S195 PolarHBondContact O-N 2.86Å; N191-S195 PolarHBondContact O-OG 3.05Å; L192-S195 PolarHBondContact O-N 3.4Å; L192-S195 VanDerWaalsContact O-N 3.16Å; L193-S195 VanDerWaalsContact C-N 3.32Å
196S97.8Very high97.9Very high10 Ų1063.8 Ų63.87%0.0733%0.334CS..  trans-132.891.8179.8-174.40000112.2L192 R198 L199 A200L192-S196 PolarHBondContact O-N 2.84Å; S196-R198 PolarHBondContact O-N 2.78Å; S196-L199 PolarHBondContact O-N 3.3Å; S196-L199 WeakPolarHBondContact OG-CB 3.31Å; S196-L199 PolarHBondContact OG-N 2.8Å; S196-A200 PolarHBondContact O-N 3.08Å
197P97.7Very high97.6Very high101 Ų10162.9 Ų62.966%0.65634%0.335SS*.Hα-helixtrans-57.6-31.8175.5-26.535000113.4K201P197-K201 WeakPolarHBondContact O-CB 3.32Å; P197-K201 PolarHBondContact O-N 3.19Å
198R97.8Very high97.3Very high149 Ų14963.7 Ų63.756%0.56236%0.36SS*.Hα-helixtrans-63.3-47.8174.9-65.3-173.9-174116.11.6111V25 A26 S196 K201 Y202V25-R198 HydrophobicContact CG1-CB 4.09Å; V25-R198 VanDerWaalsContact O-CD 3.22Å; V25-R198 WeakPolarHBondContact O-CD 3.48Å; A26-R198 PolarHBondContact O-NH1 3.19Å; S196-R198 PolarHBondContact O-N 2.78Å; R198-K201 PolarHBondContact O-N 2.78Å; R198-Y202 WeakPolarHBondContact O-CB 3.41Å; R198-Y202 PolarHBondContact O-N 3.44Å
199L97.8Very high97Very high0 Ų064.3 Ų64.30%036%0.364CS..Hα-helixtrans-69-39-179.7-165.868.8000111.3M22 V25 L161 L192 S196 K201 Y202 L203M22-L199 HydrophobicContact CB-CD1 3.83Å; M22-L199 HydrophobicContact CG-CD1 3.77Å; M22-L199 HydrophobicContact SD-CD1 4.11Å; V25-L199 HydrophobicContact CG1-CD1 4.35Å; L161-L199 HydrophobicContact CD2-CD1 4.26Å; L161-L199 HydrophobicContact CD2-CD2 3.57Å; L192-L199 HydrophobicContact CD1-CD2 3.96Å; L192-L199 HydrophobicContact CD2-CD2 3.74Å; L192-L199 HydrophobicContact CG-CD2 3.78Å; S196-L199 PolarHBondContact O-N 3.3Å; S196-L199 WeakPolarHBondContact OG-CB 3.31Å; S196-L199 PolarHBondContact OG-N 2.8Å; L199-K201 PolarHBondContact O-N 2.8Å; L199-Y202 HydrophobicContact CD1-CD1 4.39Å; L199-Y202 PolarHBondContact O-N 3.23Å; L199-L203 HydrophobicContact CD1-CD1 4.41Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 HydrophobicContact CD2-CD1 4.31Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 HydrophobicContact CG-CG 4.27Å; L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 3.14Å
200A98.2Very high96.4Very high32 Ų3266 Ų6626%0.26438%0.384SS..Hα-helixtrans-58.2-48.1173.200000112.4L193 S196 Y202 S204L193-A200 HydrophobicContact CB-CB 4.26Å; L193-A200 HydrophobicContact CD2-CB 4.15Å; S196-A200 PolarHBondContact O-N 3.08Å; A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 2.74Å; A200-S204 WeakPolarHBondContact O-CB 3.46Å; A200-S204 PolarHBondContact O-N 2.69Å; A200-S204 PolarHBondContact O-OG 2.67Å
201K98.4Very high95.6Very high146 Ų14662.3 Ų62.364%0.63537%0.366SS*.Hα-helixtrans-63-39.3175.6-176.3-179.7178.5-175.90112.4P197 R198 L199 S204 N205P197-K201 WeakPolarHBondContact O-CB 3.32Å; P197-K201 PolarHBondContact O-N 3.19Å; R198-K201 PolarHBondContact O-N 2.78Å; L199-K201 PolarHBondContact O-N 2.8Å; K201-S204 PolarHBondContact O-OG 3.19Å; K201-N205 VanDerWaalsContact O-CB 3.3Å; K201-N205 WeakPolarHBondContact O-CB 3.37Å; K201-N205 PolarHBondContact O-N 3.02Å; K201-N205 PolarHBondContact O-ND2 2.87Å
202Y98.3Very high95.4Very high32 Ų3264.1 Ų64.113%0.12538%0.377CS..Hα-helixtrans-66.2-51.3178170.9-98.2000111.5E18 R21 M22 V25 R198 L199 A200 S204 N205 R206E18-Y202 WeakPolarHBondContact OE1-CE1 3.39Å; E18-Y202 PolarHBondContact OE1-OH 2.83Å; E18-Y202 PolarHBondContact OE2-OH 3.12Å; R21-Y202 VanDerWaalsContact CD-OH 3.31Å; R21-Y202 WeakPolarHBondContact CD-OH 3.42Å; M22-Y202 HydrophobicContact CG-CD1 4.22Å; M22-Y202 HydrophobicContact CG-CE1 3.81Å; V25-Y202 HydrophobicContact CB-CG 4.48Å; V25-Y202 HydrophobicContact CG1-CG 4.08Å; V25-Y202 HydrophobicContact CG2-CD2 3.7Å; V25-Y202 HydrophobicContact CG2-CE2 4.17Å; V25-Y202 HydrophobicContact CG2-CG 3.9Å; R198-Y202 WeakPolarHBondContact O-CB 3.41Å; R198-Y202 PolarHBondContact O-N 3.44Å; L199-Y202 HydrophobicContact CD1-CD1 4.39Å; L199-Y202 PolarHBondContact O-N 3.23Å; A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 2.74Å; Y202-S204 VanDerWaalsContact C-N 3.27Å; Y202-S204 PolarHBondContact O-N 3.15Å; Y202-N205 PolarHBondContact O-N 3.18Å; Y202-N205 VanDerWaalsContact O-N 3.08Å; Y202-R206 HydrophobicContact CE1-CB 4.38Å; Y202-R206 HydrophobicContact CE2-CB 4.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.41Å; Y202-R206 PolarHBondContact O-N 3.19Å
203L97.2Very high95.3Very high30 Ų3067.4 Ų67.416%0.15740%0.397CS..Hα-helixtrans-65.5-29.2-177.8-69.8173.5000112.7M22 I164 L193 L199 R206M22-L203 HydrophobicContact SD-CD2 3.96Å; I164-L203 HydrophobicContact CG2-CD1 4.12Å; I164-L203 HydrophobicContact CG2-CD2 4.43Å; L193-L203 HydrophobicContact CD2-CD1 3.66Å; L199-L203 HydrophobicContact CD1-CD1 4.41Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 HydrophobicContact CD2-CD1 4.31Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 HydrophobicContact CG-CG 4.27Å; L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 3.14Å; L203-R206 VanDerWaalsContact CD2-CZ 3.47Å; L203-R206 VanDerWaalsContact CD2-NH1 3.3Å
204S96.7Very high95.1Very high86 Ų8668 Ų6860%0.60140%0.403SS*.Hα-helixtrans-74.3-26.1173.972.30000113.8A200 K201 Y202A200-S204 WeakPolarHBondContact O-CB 3.46Å; A200-S204 PolarHBondContact O-N 2.69Å; A200-S204 PolarHBondContact O-OG 2.67Å; K201-S204 PolarHBondContact O-OG 3.19Å; Y202-S204 VanDerWaalsContact C-N 3.27Å; Y202-S204 PolarHBondContact O-N 3.15Å
205N96.7Very high94.9Very high110 Ų11067.2 Ų67.259%0.58839%0.387SS*.Hα-helixtrans-111.1-11.7-171.2-64.2-12.9000113.8K201 Y202K201-N205 VanDerWaalsContact O-CB 3.3Å; K201-N205 WeakPolarHBondContact O-CB 3.37Å; K201-N205 PolarHBondContact O-N 3.02Å; K201-N205 PolarHBondContact O-ND2 2.87Å; Y202-N205 PolarHBondContact O-N 3.18Å; Y202-N205 VanDerWaalsContact O-N 3.08Å
206R94.3Very high94.7Very high48 Ų4867.7 Ų67.718%0.18139%0.385CS..SBendtrans-61.6147.5-177.468.3174.6-179-173.2-3.3110.7E18 D168 Y202 L203E18-R206 VanDerWaalsContact OE1-CD 3.31Å; E18-R206 WeakPolarHBondContact OE1-CD 3.27Å; E18-R206 IonicContact OE1-CZ 3.03Å; E18-R206 IonicContact OE1-NE 3.83Å; E18-R206 IonicContact OE1-NH1 3.17Å; E18-R206 PolarHBondContact OE1-NH1 3.24Å; D168-R206 IonicContact OD1-NH2 3.59Å; D168-R206 IonicContact OD2-CZ 2.74Å; D168-R206 IonicContact OD2-NH1 2.66Å; D168-R206 PolarHBondContact OD2-NH1 2.66Å; D168-R206 IonicContact OD2-NH2 3.94Å; D168-R206 PolarHBondContact OD2-NH2 3.32Å; Y202-R206 HydrophobicContact CE1-CB 4.38Å; Y202-R206 HydrophobicContact CE2-CB 4.32Å; Y202-R206 WeakPolarHBondContact O-CB 3.41Å; Y202-R206 PolarHBondContact O-N 3.19Å; L203-R206 VanDerWaalsContact CD2-CZ 3.47Å; L203-R206 VanDerWaalsContact CD2-NH1 3.3Å
207P92.8Very high94.5Very high70 Ų7071.5 Ų71.546%0.45541%0.406SS..PPolyproline II helixtrans-58.6142.9178.2-23.633.9000112.4T209P207-T209 HydrophobicContact CB-CG2 4.44Å
208A92.3Very high94.3Very high110 Ų11069.4 Ų69.491%0.90939%0.388SS*.PPolyproline II helixtrans-74.3124.416800000109.5
209T92.9Very high94Very high18 Ų1863.3 Ų63.311%0.1138%0.375CS..  trans-130.9154.3-176.854.90000111.1R14 P207 F211R14-T209 PolarHBondContact N-OG1 3.45Å; P207-T209 HydrophobicContact CB-CG2 4.44Å; T209-F211 WeakPolarHBondContact CB-O 3.45Å; T209-F211 PolarHBondContact O-N 3Å; T209-F211 PolarHBondContact OG1-O 2.97Å
210P84.8Confident93.7Very high108 Ų10868.6 Ų68.670%0.70141%0.406SS*.  trans-66.4-17.1-176.124.2-33.4000114.7
211F82.3Confident93.3Very high33 Ų3371.9 Ų71.915%0.14542%0.419CS..  trans-153.90174.663.3-89000108.9Y10 F11 G13 R14 G15 F38 Y109 H169 T209Y10-F211 HydrophobicContact CE1-CE2 4.1Å; F11-F211 HydrophobicContact CB-CZ 4.09Å; G13-F211 WeakPolarHBondContact CA-O 3.47Å; R14-F211 WeakPolarHBondContact CB-OXT 3.4Å; R14-F211 PolarHBondContact N-O 3.4Å; G15-F211 PolarHBondContact N-OXT 3.15Å; F38-F211 HydrophobicContact CZ-CE1 4.5Å; Y109-F211 WeakPolarHBondContact OH-CB 3.4Å; H169-F211 PolarHBondContact NE2-OXT 3.33Å; H169-F211 VanDerWaalsContact NE2-OXT 3.13Å; T209-F211 WeakPolarHBondContact CB-O 3.45Å; T209-F211 PolarHBondContact O-N 3Å; T209-F211 PolarHBondContact OG1-O 2.97Å

Retrieved 211 of 211 residues in 86.9 ms (Link to these results)

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