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Glutathione S-transferase Mu 1

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Involved in the formation of glutathione conjugates of both prostaglandin A2 (PGA2) and prostaglandin J2 (PGJ2)1. Participates in the formation of novel hepoxilin regioisomers2.

AlphaFold DB , UniProt , Accession P09488, Species HUMAN (Homo sapiens, Human), Gene GSTM1, Length 218 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
1M81.6Confident96.8Very high209 Ų20942 Ų42100%1.0321%0.212SC*.  0143.30-70.8-176.3-71.500107.1
2P95Very high96.9Very high45 Ų4538.9 Ų38.929%0.29220%0.198SC..  trans-58.8147.1172.825.9-32.7000109.9S27 E29P2-S27 CarbonylContact C-O 3.56Å; P2-S27 WeakPolarHBondContact CA-O 3.29Å; P2-E29 HydrophobicContact CB-CG 4.13Å; P2-E29 HydrophobicContact CG-CG 3.95Å
3M98.5Very high97Very high16 Ų1640 Ų408%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-63.3153166.7-64.1-174.9-79.600109.6L21 S26 S27 Y28 E29 L63 I64 D65M3-L21 HydrophobicContact CE-CD2 3.53Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; M3-S26 VanDerWaalsContact CE-CB 3.42Å; M3-S26 WeakPolarHBondContact CE-OG 3.41Å; M3-S27 PolarHBondContact N-O 2.71Å; M3-Y28 CarbonylContact O-C 3.54Å; M3-Y28 WeakPolarHBondContact O-CA 3.29Å; M3-Y28 WeakPolarHBondContact O-CB 3.12Å; M3-E29 PolarHBondContact O-N 2.68Å; M3-L63 HydrophobicContact CB-CD1 4.18Å; M3-L63 HydrophobicContact SD-CD2 4.09Å; M3-I64 CarbonylContact C-O 3.55Å; M3-I64 VanDerWaalsContact CA-O 3.29Å; M3-I64 WeakPolarHBondContact CA-O 3.26Å; M3-D65 HydrophobicContact CG-CB 3.72Å; M3-D65 VanDerWaalsContact CG-CG 3.49Å; M3-D65 HydrophobicContact SD-CB 4Å
4I98.7Very high97.1Very high61 Ų6137.1 Ų37.131%0.31319%0.19SC..EExtended strand (participates in β ladder)trans-115115.3175.2-56.2173.6000108.8E29 K31 Y62 L63 I64I4-E29 WeakPolarHBondContact CA-O 3.34Å; I4-K31 HydrophobicContact CG2-CB 4.16Å; I4-Y62 HydrophobicContact CG2-CE2 4.24Å; I4-L63 CarbonylContact O-C 3.55Å; I4-L63 WeakPolarHBondContact O-CA 3.36Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 2.77Å; I4-I64 PolarHBondContact O-N 3.05Å
5L98.9Very high97.2Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-91.6116.9168.2173.661.2000109.2I17 R18 L21 Y28 E29 E30 K31 P61 Y62 L63L5-I17 HydrophobicContact CD1-CD1 4.44Å; L5-I17 HydrophobicContact CD1-CG2 3.87Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.98Å; L5-R18 HydrophobicContact CD2-CG 3.65Å; L5-L21 HydrophobicContact CB-CD1 4.32Å; L5-L21 HydrophobicContact CD2-CD1 4Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L5-E29 PolarHBondContact N-O 2.96Å; L5-E30 HydrophobicContact CB-CG 4.36Å; L5-E30 HydrophobicContact CD2-CG 4.39Å; L5-E30 CarbonylContact O-C 3.5Å; L5-E30 VanDerWaalsContact O-CA 3.3Å; L5-E30 WeakPolarHBondContact O-CA 3.45Å; L5-K31 PolarHBondContact O-N 3.3Å; L5-P61 HydrophobicContact CD1-CB 4.23Å; L5-Y62 WeakPolarHBondContact CA-O 3.33Å; L5-Y62 WeakPolarHBondContact CD1-O 3.47Å; L5-L63 HydrophobicContact CB-CD1 4.32Å
6G98.9Very high97.4Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-101.5124.1173.700000111.9K31 P61 Y62G6-K31 WeakPolarHBondContact CA-O 3.2Å; G6-P61 WeakPolarHBondContact O-CA 3.47Å; G6-Y62 VanDerWaalsContact CA-CZ 3.44Å; G6-Y62 PolarHBondContact N-O 3.37Å; G6-Y62 PolarHBondContact O-N 3.34Å
7Y98.9Very high97.4Very high16 Ų1630.7 Ų30.76%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-155.7172.7172.4-161.7-120.4000111.7I10 L13 A14 K31 K32 Y33 L60 P61Y7-I10 HydrophobicContact CD1-CG1 4.45Å; Y7-I10 HydrophobicContact CE1-CD1 4.34Å; Y7-I10 HydrophobicContact CE1-CG1 3.86Å; Y7-L13 HydrophobicContact CE2-CB 4.31Å; Y7-L13 PolarHBondContact OH-N 3.44Å; Y7-A14 HydrophobicContact CD1-CB 3.32Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.9Å; Y7-A14 HydrophobicContact CG-CB 3.49Å; Y7-A14 VanDerWaalsContact CG-CB 3.49Å; Y7-K31 PolarHBondContact N-O 2.55Å; Y7-K31 VanDerWaalsContact N-O 3.1Å; Y7-K32 WeakPolarHBondContact O-CA 3.46Å; Y7-Y33 WeakPolarHBondContact O-CD2 3.25Å; Y7-Y33 PolarHBondContact O-N 2.99Å; Y7-L60 HydrophobicContact CD2-CB 3.81Å; Y7-L60 HydrophobicContact CE2-CB 4.12Å; Y7-P61 HydrophobicContact CD2-CB 3.62Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.39Å; Y7-P61 HydrophobicContact CG-CB 4.27Å
8W98.7Very high97.5Very high35 Ų3529.1 Ų29.113%0.13315%0.149CC..EExtended strand (participates in β ladder)trans-61151.9165.6-61.6118.6000110.9I10 R18 Y33 R43 W46 L60W8-I10 HydrophobicContact CB-CD1 4.13Å; W8-I10 HydrophobicContact CB-CG1 3.89Å; W8-I10 PolarHBondContact O-N 3.46Å; W8-R18 PolarHBondContact O-NH2 2.91Å; W8-Y33 CarbonylContact C-O 3.59Å; W8-Y33 WeakPolarHBondContact CA-O 3.5Å; W8-R43 HydrophobicContact CH2-CB 4.04Å; W8-R43 HydrophobicContact CH2-CG 4.11Å; W8-W46 HydrophobicContact CH2-CB 3.45Å; W8-W46 VanDerWaalsContact CH2-CB 3.45Å; W8-W46 AromaticContact CH2-CD1 3.62Å; W8-W46 AromaticContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CZ2-CB 4.27Å; W8-W46 AromaticContact CZ2-CD1 3.65Å; W8-W46 HydrophobicContact CZ2-CG 4.19Å; W8-W46 HydrophobicContact CZ3-CB 3.79Å; W8-L60 HydrophobicContact CD2-CD1 3.85Å; W8-L60 VanDerWaalsContact CE2-CD1 3.48Å; W8-L60 HydrophobicContact CE3-CD1 4.39Å; W8-L60 HydrophobicContact CG-CD1 4.27Å; W8-L60 HydrophobicContact CH2-CD1 4.26Å; W8-L60 HydrophobicContact CZ2-CD1 3.72Å
9D98.5Very high97.6Very high62 Ų6227.5 Ų27.533%0.33214%0.141SC..SBendtrans-75.955.5174.4-164.320.7000112.3K32 Y33D9-K32 HydrophobicContact CB-CB 4.06Å; D9-K32 WeakPolarHBondContact OD1-CD 3.49Å; D9-K32 IonicContact OD1-NZ 2.68Å; D9-Y33 PolarHBondContact N-O 3.38Å
10I98.5Very high97.7Very high15 Ų1526.2 Ų26.28%0.07713%0.134CC..SBendtrans-141.2170.217872179.5000108.3Y7 W8 R18 L204 P207Y7-I10 HydrophobicContact CD1-CG1 4.45Å; Y7-I10 HydrophobicContact CE1-CD1 4.34Å; Y7-I10 HydrophobicContact CE1-CG1 3.86Å; W8-I10 HydrophobicContact CB-CD1 4.13Å; W8-I10 HydrophobicContact CB-CG1 3.89Å; W8-I10 PolarHBondContact O-N 3.46Å; I10-R18 PolarHBondContact O-NH1 2.96Å; I10-R18 PolarHBondContact O-NH2 3.32Å; I10-L204 WeakPolarHBondContact O-CD2 3.41Å; I10-P207 HydrophobicContact CB-CG 3.94Å; I10-P207 HydrophobicContact CG2-CG 3.6Å
11R98.6Very high97.7Very high3 Ų324.9 Ų24.91%0.01113%0.128CC..SBendtrans-58.6-69.7168.2177.2-173.3-179.7140.6-4.4111A14 H15 R18 D162 D165 P205 P207R11-A14 PolarHBondContact O-N 2.73Å; R11-H15 HydrophobicContact CG-CB 3.62Å; R11-H15 PolarHBondContact O-N 2.92Å; R11-R18 PolarHBondContact O-NH1 3.48Å; R11-D162 IonicContact CZ-OD1 3.55Å; R11-D162 IonicContact NE-OD1 3.51Å; R11-D162 PolarHBondContact NE-OD1 2.95Å; R11-D162 PolarHBondContact NH2-O 3.22Å; R11-D162 IonicContact NH2-OD1 3.99Å; R11-D162 PolarHBondContact NH2-OD1 2.79Å; R11-D165 IonicContact CZ-OD2 2.79Å; R11-D165 VanDerWaalsContact CZ-OD2 3.3Å; R11-D165 IonicContact NH1-OD2 2.69Å; R11-D165 PolarHBondContact NH1-OD2 2.95Å; R11-D165 IonicContact NH2-OD2 2.77Å; R11-D165 PolarHBondContact NH2-OD2 3.37Å; R11-P205 WeakPolarHBondContact CD-O 3.36Å; R11-P207 WeakPolarHBondContact CB-O 3.31Å; R11-P207 PolarHBondContact N-O 3.28Å
12G98Very high98.5Very high5 Ų515.8 Ų15.85%0.0528%0.082CC..G310 helixtrans40-144.1179.900000114.9A14 V208G12-A14 PolarHBondContact O-N 3.35Å; G12-V208 WeakPolarHBondContact CA-O 3.27Å; G12-V208 PolarHBondContact N-O 3.25Å
13L98.4Very high98.7Very high53 Ų5317 Ų1728%0.2778%0.081SC..G310 helixtrans-73-5.3-178.3-63.5172000114.2Y7 H108Y7-L13 HydrophobicContact CE2-CB 4.31Å; Y7-L13 PolarHBondContact OH-N 3.44Å; L13-H108 WeakPolarHBondContact CD2-NE2 3.46Å
14A98.7Very high98.7Very high0 Ų017.1 Ų17.10%08%0.084CC..G310 helixtrans-92.4-5.9-178.500000113.5Y7 R11 G12 I17 R18Y7-A14 HydrophobicContact CD1-CB 3.32Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.9Å; Y7-A14 HydrophobicContact CG-CB 3.49Å; Y7-A14 VanDerWaalsContact CG-CB 3.49Å; R11-A14 PolarHBondContact O-N 2.73Å; G12-A14 PolarHBondContact O-N 3.35Å; A14-I17 PolarHBondContact O-N 3.07Å; A14-R18 WeakPolarHBondContact O-CG 3.2Å; A14-R18 PolarHBondContact O-N 3.3Å
15H98.8Very high98.7Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-61-52-173.8-162.666.2000112.7R11 I17 R18 L19 Y161 D162 F203R11-H15 HydrophobicContact CG-CB 3.62Å; R11-H15 PolarHBondContact O-N 2.92Å; H15-I17 VanDerWaalsContact C-N 3.25Å; H15-I17 PolarHBondContact O-N 3.39Å; H15-R18 PolarHBondContact O-N 3.1Å; H15-L19 WeakPolarHBondContact O-CG 3.49Å; H15-L19 PolarHBondContact O-N 3.37Å; H15-Y161 AromaticContact NE2-CE1 3.88Å; H15-D162 WeakPolarHBondContact CB-OD1 3.47Å; H15-D162 IonicContact CD2-OD1 2.93Å; H15-D162 PolarHBondContact CD2-OD1 3.35Å; H15-D162 VanDerWaalsContact CD2-OD1 3.23Å; H15-D162 IonicContact CG-OD1 2.77Å; H15-F203 AromaticContact CE1-CE2 3.67Å
16A98.9Very high98.7Very high2 Ų220.5 Ų20.52%0.01710%0.104CC..Hα-helixtrans-59.2-36.4176.400000112.4L20 L77 F158 L159 D162A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 3.29Å; A16-L77 HydrophobicContact CB-CD1 4.17Å; A16-L77 HydrophobicContact CB-CD2 4.17Å; A16-F158 HydrophobicContact CB-CB 4.15Å; A16-L159 HydrophobicContact CB-CD2 4.05Å; A16-D162 HydrophobicContact CB-CB 4.48Å
17I98.9Very high98.6Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-66.5-48.3178.9-58168.8000110.6L5 A14 H15 L19 L20 L21 P61 I76 L77 I80L5-I17 HydrophobicContact CD1-CD1 4.44Å; L5-I17 HydrophobicContact CD1-CG2 3.87Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.98Å; A14-I17 PolarHBondContact O-N 3.07Å; H15-I17 VanDerWaalsContact C-N 3.25Å; H15-I17 PolarHBondContact O-N 3.39Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.97Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.39Å; I17-P61 HydrophobicContact CD1-CB 3.96Å; I17-P61 HydrophobicContact CD1-CG 3.61Å; I17-I76 HydrophobicContact CD1-CB 4.14Å; I17-I76 HydrophobicContact CD1-CD1 4.11Å; I17-I76 HydrophobicContact CD1-CG2 3.92Å; I17-I76 HydrophobicContact CG1-CG2 4.15Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; I17-L77 HydrophobicContact CB-CD2 4.49Å; I17-L77 HydrophobicContact CG1-CD2 3.99Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; I17-I80 HydrophobicContact CG2-CD1 4.07Å
18R98.9Very high98.6Very high1 Ų125.5 Ų25.50%0.00414%0.136CC..Hα-helixtrans-58.7-47.1177.6-68.8172.6178.7132.7-2.9111L5 W8 I10 R11 A14 H15 L20 L21 E22 E30L5-R18 HydrophobicContact CD2-CG 3.65Å; W8-R18 PolarHBondContact O-NH2 2.91Å; I10-R18 PolarHBondContact O-NH1 2.96Å; I10-R18 PolarHBondContact O-NH2 3.32Å; R11-R18 PolarHBondContact O-NH1 3.48Å; A14-R18 WeakPolarHBondContact O-CG 3.2Å; A14-R18 PolarHBondContact O-N 3.3Å; H15-R18 PolarHBondContact O-N 3.1Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.41Å; R18-L21 PolarHBondContact O-N 2.9Å; R18-E22 VanDerWaalsContact O-CG 3.28Å; R18-E22 WeakPolarHBondContact O-CG 3.25Å; R18-E22 PolarHBondContact O-N 2.9Å; R18-E30 IonicContact CZ-OE2 2.64Å; R18-E30 IonicContact NE-OE1 3.17Å; R18-E30 PolarHBondContact NE-OE1 3.1Å; R18-E30 IonicContact NE-OE2 2.88Å; R18-E30 PolarHBondContact NE-OE2 3.03Å; R18-E30 IonicContact NH2-OE2 3.02Å; R18-E30 PolarHBondContact NH2-OE2 2.55Å
19L98.9Very high98.6Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-59.6-42.5176.8-69.3166.9000111.7H15 I17 E22 Y23 F158 Y161 F188 I194 Y197 M198H15-L19 WeakPolarHBondContact O-CG 3.49Å; H15-L19 PolarHBondContact O-N 3.37Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.97Å; L19-E22 PolarHBondContact O-N 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.48Å; L19-Y23 PolarHBondContact O-N 3.03Å; L19-F158 HydrophobicContact CB-CD1 3.69Å; L19-F158 HydrophobicContact CB-CE1 4.2Å; L19-F158 WeakPolarHBondContact O-CE1 3.4Å; L19-Y161 HydrophobicContact CD1-CD1 3.54Å; L19-Y161 HydrophobicContact CD1-CE1 3.69Å; L19-F188 HydrophobicContact CB-CZ 4.44Å; L19-F188 HydrophobicContact CD1-CE1 4.06Å; L19-F188 HydrophobicContact CD1-CZ 4.24Å; L19-F188 HydrophobicContact CD2-CE1 4.36Å; L19-I194 HydrophobicContact CB-CD1 4.29Å; L19-I194 HydrophobicContact CD2-CD1 4.13Å; L19-I194 HydrophobicContact CD2-CG2 4.23Å; L19-I194 WeakPolarHBondContact O-CD1 3.39Å; L19-Y197 HydrophobicContact CD2-CD1 3.82Å; L19-Y197 HydrophobicContact CD2-CE1 3.81Å; L19-Y197 HydrophobicContact CG-CE1 4.44Å; L19-M198 HydrophobicContact CD2-CE 4.02Å
20L98.9Very high98.6Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-67.4-41.6179.6-174.662.7000112A16 I17 R18 E22 Y23 T24 L77 I80 L86 F155 F158A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 3.46Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.41Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 2.81Å; L20-Y23 PolarHBondContact O-N 3.07Å; L20-T24 HydrophobicContact CD1-CG2 4.16Å; L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L20-L77 HydrophobicContact CB-CD2 4.11Å; L20-L77 HydrophobicContact CD2-CB 4.46Å; L20-L77 HydrophobicContact CD2-CD2 3.61Å; L20-I80 HydrophobicContact CD2-CB 3.83Å; L20-I80 HydrophobicContact CD2-CD1 4.43Å; L20-I80 HydrophobicContact CD2-CG2 3.82Å; L20-I80 HydrophobicContact CG-CB 4.38Å; L20-I80 HydrophobicContact CG-CG2 3.83Å; L20-L86 HydrophobicContact CD1-CD1 3.79Å; L20-F155 HydrophobicContact CD2-CB 4.04Å; L20-F158 VanDerWaalsContact CA-CE1 3.48Å; L20-F158 HydrophobicContact CB-CD1 3.86Å; L20-F158 HydrophobicContact CB-CE1 4.11Å; L20-F158 HydrophobicContact CB-CG 4.25Å; L20-F158 HydrophobicContact CD1-CD1 4.22Å; L20-F158 HydrophobicContact CD1-CD2 3.91Å; L20-F158 HydrophobicContact CD1-CE1 3.97Å; L20-F158 HydrophobicContact CD1-CE2 3.63Å; L20-F158 HydrophobicContact CD1-CG 4.22Å; L20-F158 HydrophobicContact CD1-CZ 3.68Å
21L98.9Very high98.6Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-60.9-43.1175.4-72.6166.7000111.7M3 L5 I17 R18 T24 D25 S26 Y28 I80M3-L21 HydrophobicContact CE-CD2 3.53Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; L5-L21 HydrophobicContact CB-CD1 4.32Å; L5-L21 HydrophobicContact CD2-CD1 4Å; I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.39Å; R18-L21 PolarHBondContact O-N 2.9Å; L21-T24 PolarHBondContact O-OG1 2.88Å; L21-D25 PolarHBondContact O-N 2.75Å; L21-S26 WeakPolarHBondContact O-CB 3.39Å; L21-S26 PolarHBondContact O-N 3.18Å; L21-Y28 HydrophobicContact CB-CD1 3.83Å; L21-Y28 HydrophobicContact CB-CE1 3.75Å; L21-Y28 HydrophobicContact CB-CG 4.29Å; L21-Y28 HydrophobicContact CD1-CD1 4.26Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.45Å; L21-Y28 HydrophobicContact CD1-CE2 3.83Å; L21-Y28 HydrophobicContact CD1-CG 3.86Å; L21-Y28 HydrophobicContact CD2-CG 4.48Å; L21-Y28 HydrophobicContact CG-CD1 4.46Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; L21-I80 HydrophobicContact CD2-CD1 3.72Å; L21-I80 HydrophobicContact CD2-CG1 4.27Å; L21-I80 HydrophobicContact CG-CD1 3.94Å
22E98.8Very high98.6Very high18 Ų1835 Ų358%0.08418%0.178CC..Hα-helixtrans-67.9-41.5176.9-68.3-82.6178.200111.5R18 L19 L20 T24 D25 Y28 Y197 R202R18-E22 VanDerWaalsContact O-CG 3.28Å; R18-E22 WeakPolarHBondContact O-CG 3.25Å; R18-E22 PolarHBondContact O-N 2.9Å; L19-E22 PolarHBondContact O-N 3.22Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 2.81Å; E22-T24 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.28Å; E22-D25 PolarHBondContact O-N 2.77Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 PolarHBondContact OE1-OH 3.46Å; E22-Y197 HydrophobicContact CB-CD1 4.28Å; E22-Y197 HydrophobicContact CB-CD2 4.35Å; E22-Y197 HydrophobicContact CB-CG 3.97Å; E22-Y197 HydrophobicContact CG-CD1 3.99Å; E22-Y197 HydrophobicContact CG-CD2 3.43Å; E22-Y197 VanDerWaalsContact CG-CD2 3.43Å; E22-Y197 HydrophobicContact CG-CE1 4.28Å; E22-Y197 HydrophobicContact CG-CE2 3.78Å; E22-Y197 HydrophobicContact CG-CG 3.54Å; E22-Y197 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y197 WeakPolarHBondContact OE1-CE2 3.34Å; E22-R202 VanDerWaalsContact CD-NH2 3.34Å; E22-R202 IonicContact OE1-CZ 2.55Å; E22-R202 VanDerWaalsContact OE1-CZ 3.27Å; E22-R202 IonicContact OE1-NE 2.89Å; E22-R202 PolarHBondContact OE1-NE 2.68Å; E22-R202 IonicContact OE1-NH2 3.27Å; E22-R202 PolarHBondContact OE1-NH2 2.81Å; E22-R202 IonicContact OE2-CZ 2.75Å; E22-R202 IonicContact OE2-NH2 3.93Å; E22-R202 PolarHBondContact OE2-NH2 3.25Å
23Y98.9Very high98.7Very high69 Ų6934.9 Ų34.927%0.27118%0.175SC..Hα-helixtrans-62.5-40.5176.8-179.6-101.5000112.9L19 L20 D25 L86 I153 F158 L191 I194L19-Y23 WeakPolarHBondContact O-CB 3.48Å; L19-Y23 PolarHBondContact O-N 3.03Å; L20-Y23 PolarHBondContact O-N 3.07Å; Y23-D25 PolarHBondContact O-N 3.23Å; Y23-L86 HydrophobicContact CD1-CD1 4.27Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; Y23-I153 HydrophobicContact CE1-CG2 4.13Å; Y23-I153 HydrophobicContact CE2-CD1 4.5Å; Y23-I153 WeakPolarHBondContact OH-CG2 3.44Å; Y23-F158 HydrophobicContact CD1-CE1 4.46Å; Y23-F158 HydrophobicContact CD1-CE2 4.38Å; Y23-F158 AromaticContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD2-CZ 4.16Å; Y23-F158 HydrophobicContact CE1-CZ 4.33Å; Y23-F158 HydrophobicContact CG-CE1 4.03Å; Y23-F158 AromaticContact CG-CZ 3.5Å; Y23-F158 HydrophobicContact CG-CZ 3.5Å; Y23-F158 VanDerWaalsContact CG-CZ 3.5Å; Y23-L191 HydrophobicContact CD2-CD1 4.12Å; Y23-L191 HydrophobicContact CE2-CB 4.5Å; Y23-L191 HydrophobicContact CE2-CD1 3.88Å; Y23-L191 HydrophobicContact CE2-CD2 4.3Å; Y23-L191 HydrophobicContact CE2-CG 4.46Å; Y23-I194 HydrophobicContact CD2-CD1 4.47Å; Y23-I194 HydrophobicContact CD2-CG1 4.32Å
24T98.7Very high98.7Very high20 Ų2035.2 Ų35.212%0.12318%0.18CC..THydrogen-bonded Turntrans-82.44.6178.860.70000113.6L20 L21 E22 S26 I80 H84 L86L20-T24 HydrophobicContact CD1-CG2 4.16Å; L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 PolarHBondContact O-OG1 2.88Å; E22-T24 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.28Å; T24-S26 PolarHBondContact O-N 3.37Å; T24-S26 PolarHBondContact OG1-OG 3.33Å; T24-I80 HydrophobicContact CG2-CG2 4.3Å; T24-H84 HydrophobicContact CG2-CB 3.98Å; T24-L86 HydrophobicContact CG2-CD1 3.74Å
25D98.1Very high98.6Very high112 Ų11235.9 Ų35.960%0.59918%0.183SC*.THydrogen-bonded Turntrans53.835.8-177.3-149.131.9000112.3L21 E22 Y23 K193L21-D25 PolarHBondContact O-N 2.75Å; E22-D25 PolarHBondContact O-N 2.77Å; Y23-D25 PolarHBondContact O-N 3.23Å; D25-K193 IonicContact OD1-NZ 3.47Å; D25-K193 PolarHBondContact OD1-NZ 2.91Å; D25-K193 IonicContact OD2-NZ 2.8Å; D25-K193 PolarHBondContact OD2-NZ 3.27Å
26S98.4Very high98.6Very high20 Ų2036.9 Ų36.914%0.1419%0.194CC..  trans-67.2138-176.7-75.30000111.4M3 L21 T24 Y28M3-S26 VanDerWaalsContact CE-CB 3.42Å; M3-S26 WeakPolarHBondContact CE-OG 3.41Å; L21-S26 WeakPolarHBondContact O-CB 3.39Å; L21-S26 PolarHBondContact O-N 3.18Å; T24-S26 PolarHBondContact O-N 3.37Å; T24-S26 PolarHBondContact OG1-OG 3.33Å; S26-Y28 WeakPolarHBondContact O-CD1 3.34Å; S26-Y28 PolarHBondContact O-N 3Å
27S98.2Very high98.5Very high86 Ų8642.2 Ų42.260%0.60122%0.222SC*.  trans-76.8107.8167.2-176.10000109.4P2 M3P2-S27 CarbonylContact C-O 3.56Å; P2-S27 WeakPolarHBondContact CA-O 3.29Å; M3-S27 PolarHBondContact N-O 2.71Å
28Y98.8Very high98.4Very high34 Ų3445.2 Ų45.213%0.13325%0.247CC..EExtended strand (participates in β ladder)trans-146157.5-179.883.5-75.7000113.2M3 L5 L21 E22 S26 E30M3-Y28 CarbonylContact O-C 3.54Å; M3-Y28 WeakPolarHBondContact O-CA 3.29Å; M3-Y28 WeakPolarHBondContact O-CB 3.12Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L21-Y28 HydrophobicContact CB-CD1 3.83Å; L21-Y28 HydrophobicContact CB-CE1 3.75Å; L21-Y28 HydrophobicContact CB-CG 4.29Å; L21-Y28 HydrophobicContact CD1-CD1 4.26Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.45Å; L21-Y28 HydrophobicContact CD1-CE2 3.83Å; L21-Y28 HydrophobicContact CD1-CG 3.86Å; L21-Y28 HydrophobicContact CD2-CG 4.48Å; L21-Y28 HydrophobicContact CG-CD1 4.46Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 PolarHBondContact OE1-OH 3.46Å; S26-Y28 WeakPolarHBondContact O-CD1 3.34Å; S26-Y28 PolarHBondContact O-N 3Å; Y28-E30 HydrophobicContact CD2-CG 4.06Å; Y28-E30 HydrophobicContact CE2-CG 3.5Å; Y28-E30 PolarHBondContact OH-OE1 2.95Å
29E98.4Very high98.3Very high123 Ų12350.4 Ų50.458%0.57528%0.28SS*.EExtended strand (participates in β ladder)trans-120.8156.1168.8-68.1-178-176.700109.7P2 M3 I4 L5P2-E29 HydrophobicContact CB-CG 4.13Å; P2-E29 HydrophobicContact CG-CG 3.95Å; M3-E29 PolarHBondContact O-N 2.68Å; I4-E29 WeakPolarHBondContact CA-O 3.34Å; L5-E29 PolarHBondContact N-O 2.96Å
30E98.5Very high98.3Very high47 Ų4757 Ų5722%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-110.4125175.9-66.5-167.3-144.100111.8L5 R18 Y28 K32L5-E30 HydrophobicContact CB-CG 4.36Å; L5-E30 HydrophobicContact CD2-CG 4.39Å; L5-E30 CarbonylContact O-C 3.5Å; L5-E30 VanDerWaalsContact O-CA 3.3Å; L5-E30 WeakPolarHBondContact O-CA 3.45Å; R18-E30 IonicContact CZ-OE2 2.64Å; R18-E30 IonicContact NE-OE1 3.17Å; R18-E30 PolarHBondContact NE-OE1 3.1Å; R18-E30 IonicContact NE-OE2 2.88Å; R18-E30 PolarHBondContact NE-OE2 3.03Å; R18-E30 IonicContact NH2-OE2 3.02Å; R18-E30 PolarHBondContact NH2-OE2 2.55Å; Y28-E30 HydrophobicContact CD2-CG 4.06Å; Y28-E30 HydrophobicContact CE2-CG 3.5Å; Y28-E30 PolarHBondContact OH-OE1 2.95Å; E30-K32 HydrophobicContact CB-CG 4.11Å; E30-K32 PolarHBondContact O-N 3.31Å; E30-K32 WeakPolarHBondContact OE2-CE 3.5Å
31K98.5Very high98.2Very high76 Ų7660 Ų6033%0.3333%0.327SS..EExtended strand (participates in β ladder)trans-90.198.8162.2179.767.5172.6-1630108.1I4 L5 G6 Y7 Y33 E49I4-K31 HydrophobicContact CG2-CB 4.16Å; L5-K31 PolarHBondContact O-N 3.3Å; G6-K31 WeakPolarHBondContact CA-O 3.2Å; Y7-K31 PolarHBondContact N-O 2.55Å; Y7-K31 VanDerWaalsContact N-O 3.1Å; K31-Y33 HydrophobicContact CD-CE1 4.33Å; K31-Y33 VanDerWaalsContact CE-CE1 3.4Å; K31-Y33 HydrophobicContact CG-CD2 4.41Å; K31-Y33 HydrophobicContact CG-CE1 3.95Å; K31-Y33 HydrophobicContact CG-CE2 3.72Å; K31-Y33 VanDerWaalsContact CG-CZ 3.46Å; K31-E49 WeakPolarHBondContact CE-OE1 3.46Å; K31-E49 VanDerWaalsContact CE-OE2 3.29Å; K31-E49 WeakPolarHBondContact CE-OE2 3.48Å; K31-E49 IonicContact NZ-OE1 3.55Å; K31-E49 PolarHBondContact NZ-OE1 3.26Å; K31-E49 IonicContact NZ-OE2 3.86Å
32K98.6Very high98.2Very high70 Ų7063.8 Ų63.830%0.30435%0.347SS..EExtended strand (participates in β ladder)trans-90.6116.1177.8-68.1175.2165.4-159.20109.9Y7 D9 E30Y7-K32 WeakPolarHBondContact O-CA 3.46Å; D9-K32 HydrophobicContact CB-CB 4.06Å; D9-K32 WeakPolarHBondContact OD1-CD 3.49Å; D9-K32 IonicContact OD1-NZ 2.68Å; E30-K32 HydrophobicContact CB-CG 4.11Å; E30-K32 PolarHBondContact O-N 3.31Å; E30-K32 WeakPolarHBondContact OE2-CE 3.5Å
33Y98.7Very high98.2Very high1 Ų167.6 Ų67.60%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-90.5127.5173.9-61.7-76.6000109.6Y7 W8 D9 K31 Q45 W46 E49 L60 Y62Y7-Y33 WeakPolarHBondContact O-CD2 3.25Å; Y7-Y33 PolarHBondContact O-N 2.99Å; W8-Y33 CarbonylContact C-O 3.59Å; W8-Y33 WeakPolarHBondContact CA-O 3.5Å; D9-Y33 PolarHBondContact N-O 3.38Å; K31-Y33 HydrophobicContact CD-CE1 4.33Å; K31-Y33 VanDerWaalsContact CE-CE1 3.4Å; K31-Y33 HydrophobicContact CG-CD2 4.41Å; K31-Y33 HydrophobicContact CG-CE1 3.95Å; K31-Y33 HydrophobicContact CG-CE2 3.72Å; K31-Y33 VanDerWaalsContact CG-CZ 3.46Å; Y33-Q45 HydrophobicContact CD1-CB 4.07Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.29Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.46Å; Y33-W46 HydrophobicContact CD1-CB 3.93Å; Y33-W46 HydrophobicContact CD2-CE3 4.28Å; Y33-W46 HydrophobicContact CE1-CB 4.4Å; Y33-W46 HydrophobicContact CE1-CE3 4.06Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.18Å; Y33-W46 HydrophobicContact CG-CB 3.97Å; Y33-W46 AromaticContact CZ-CE3 3.59Å; Y33-E49 PolarHBondContact OH-OE2 2.74Å; Y33-L60 HydrophobicContact CD2-CD1 4.06Å; Y33-L60 HydrophobicContact CD2-CD2 3.89Å; Y33-L60 HydrophobicContact CE2-CD2 3.78Å; Y33-Y62 AromaticContact CE2-CE1 3.8Å; Y33-Y62 HydrophobicContact CE2-CE1 3.8Å; Y33-Y62 PolarHBondContact OH-OH 3.06Å
34T98.3Very high98.1Very high61 Ų6166.3 Ų66.337%0.37436%0.362SS..PPolyproline II helixtrans-95.4127.3177-520000110
35M98.2Very high98.1Very high14 Ų1469.5 Ų69.57%0.06938%0.375CS..PPolyproline II helixtrans-80.9135.8169.2-175.3178.9-67.400109.8Y41 D42 R43 K211 M212M35-Y41 HydrophobicContact SD-CD1 4.1Å; M35-Y41 HydrophobicContact SD-CG 4.47Å; M35-D42 CarbonylContact C-O 3.55Å; M35-D42 WeakPolarHBondContact CA-O 3.35Å; M35-R43 HydrophobicContact CE-CG 4.4Å; M35-K211 WeakPolarHBondContact O-CD 3.17Å; M35-K211 VanDerWaalsContact O-CE 3.31Å; M35-K211 WeakPolarHBondContact O-CE 3.34Å; M35-K211 PolarHBondContact O-NZ 2.88Å; M35-K211 HydrophobicContact SD-CB 4.3Å; M35-M212 HydrophobicContact SD-CG 4.05Å; M35-M212 HydrophobicContact SD-SD 4.35Å
36G97.9Very high98.1Very high21 Ų2164.7 Ų64.722%0.21635%0.349CS..PPolyproline II helixtrans-61.3165.7172.900000112.7Y41 D42 K211G36-Y41 WeakPolarHBondContact O-CA 3.45Å; G36-D42 PolarHBondContact N-O 3.25Å; G36-K211 VanDerWaalsContact O-CD 3.31Å; G36-K211 WeakPolarHBondContact O-CD 3.34Å
37D97.8Very high98.1Very high114 Ų11468.2 Ų68.261%0.6137%0.366SS*.PPolyproline II helixtrans-76.4166177.7-66.1-47.9000112.4D40 Y41 K211D37-D40 PolarHBondContact O-N 2.92Å; D37-Y41 PolarHBondContact O-N 3.23Å; D37-K211 WeakPolarHBondContact OD1-CE 3.46Å; D37-K211 IonicContact OD1-NZ 3.43Å; D37-K211 PolarHBondContact OD1-NZ 3.11Å; D37-K211 IonicContact OD2-NZ 3.21Å
38A96.6Very high98.2Very high63 Ų6368.9 Ų68.952%0.52136%0.362SS..THydrogen-bonded Turntrans-62.8150.9172.700000111.1Y41A38-Y41 HydrophobicContact CB-CE1 3.83Å; A38-Y41 HydrophobicContact CB-CE2 4.17Å; A38-Y41 WeakPolarHBondContact CB-OH 3.46Å
39P96.6Very high98.1Very high109 Ų10970.1 Ų70.171%0.70837%0.369SS*.THydrogen-bonded Turncis-85.3-10.42.334.5-35000114.3Y41P39-Y41 WeakPolarHBondContact O-CD2 3.25Å
40D97.6Very high98.1Very high139 Ų13966.7 Ų66.774%0.74335%0.353SS*.THydrogen-bonded Turntrans-80.1-30.9-167-62.4-21.7000113.1D37 D42D37-D40 PolarHBondContact O-N 2.92Å; D40-D42 PolarHBondContact O-N 3.34Å
41Y97.7Very high98.1Very high64 Ų6471.8 Ų71.825%0.25137%0.374SS..  trans49.145.3-177.8-58.8-72.9000112.8M35 G36 D37 A38 P39 R43 K211 M212M35-Y41 HydrophobicContact SD-CD1 4.1Å; M35-Y41 HydrophobicContact SD-CG 4.47Å; G36-Y41 WeakPolarHBondContact O-CA 3.45Å; D37-Y41 PolarHBondContact O-N 3.23Å; A38-Y41 HydrophobicContact CB-CE1 3.83Å; A38-Y41 HydrophobicContact CB-CE2 4.17Å; A38-Y41 WeakPolarHBondContact CB-OH 3.46Å; P39-Y41 WeakPolarHBondContact O-CD2 3.25Å; Y41-R43 VanDerWaalsContact O-CG 3.25Å; Y41-R43 WeakPolarHBondContact O-CG 3.26Å; Y41-R43 PolarHBondContact O-N 2.78Å; Y41-K211 HydrophobicContact CD1-CB 4.03Å; Y41-K211 HydrophobicContact CE1-CB 3.96Å; Y41-M212 HydrophobicContact CD1-CG 3.53Å; Y41-M212 HydrophobicContact CD2-CG 3.92Å; Y41-M212 HydrophobicContact CD2-SD 4.47Å; Y41-M212 HydrophobicContact CE1-CB 4.42Å; Y41-M212 HydrophobicContact CE1-CG 3.7Å; Y41-M212 HydrophobicContact CE2-CG 4.08Å; Y41-M212 HydrophobicContact CG-CG 3.63Å; Y41-M212 HydrophobicContact CG-SD 4.28Å
42D98.4Very high98.1Very high78 Ų7876 Ų7642%0.41739%0.393SS..  trans-48.6131.4-173.1175.848.3000112.2M35 G36 D40 S44M35-D42 CarbonylContact C-O 3.55Å; M35-D42 WeakPolarHBondContact CA-O 3.35Å; G36-D42 PolarHBondContact N-O 3.25Å; D40-D42 PolarHBondContact O-N 3.34Å; D42-S44 VanDerWaalsContact OD1-CB 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.3Å; D42-S44 PolarHBondContact OD1-N 2.84Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 WeakPolarHBondContact OD2-CB 3.45Å; D42-S44 PolarHBondContact OD2-N 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å
43R98.5Very high98.1Very high99 Ų9974.5 Ų74.537%0.37439%0.388SS..  trans-116.412.2-179.8-58.9-171.1-175.2-178.3-3.5112W8 M35 Y41 Q45 W46 L47 M212W8-R43 HydrophobicContact CH2-CB 4.04Å; W8-R43 HydrophobicContact CH2-CG 4.11Å; M35-R43 HydrophobicContact CE-CG 4.4Å; Y41-R43 VanDerWaalsContact O-CG 3.25Å; Y41-R43 WeakPolarHBondContact O-CG 3.26Å; Y41-R43 PolarHBondContact O-N 2.78Å; R43-Q45 VanDerWaalsContact C-N 3.26Å; R43-Q45 PolarHBondContact O-N 2.78Å; R43-W46 PolarHBondContact O-N 3.47Å; R43-L47 HydrophobicContact CB-CD1 3.89Å; R43-L47 HydrophobicContact CB-CG 3.98Å; R43-L47 WeakPolarHBondContact O-CG 3.15Å; R43-L47 PolarHBondContact O-N 3.46Å; R43-M212 PolarHBondContact NH2-SD 3.1Å
44S98.4Very high98Very high41 Ų4176.8 Ų76.829%0.28741%0.412SS..Hα-helixtrans-54-39.7-172.667.20000113D42 W46 L47 N48D42-S44 VanDerWaalsContact OD1-CB 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.3Å; D42-S44 PolarHBondContact OD1-N 2.84Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 WeakPolarHBondContact OD2-CB 3.45Å; D42-S44 PolarHBondContact OD2-N 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å; S44-W46 VanDerWaalsContact C-N 3.25Å; S44-W46 PolarHBondContact O-N 3.24Å; S44-L47 PolarHBondContact O-N 3.14Å; S44-N48 WeakPolarHBondContact O-CB 3.29Å; S44-N48 PolarHBondContact O-N 3.14Å; S44-N48 PolarHBondContact O-ND2 3.45Å
45Q98.4Very high98Very high87 Ų8774.6 Ų74.641%0.40740%0.397SS..Hα-helixtrans-52.7-43.6177.5-66.1-168.85.400112.4Y33 R43Y33-Q45 HydrophobicContact CD1-CB 4.07Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.29Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.46Å; R43-Q45 VanDerWaalsContact C-N 3.26Å; R43-Q45 PolarHBondContact O-N 2.78Å
46W98.6Very high98.1Very high11 Ų1180.1 Ų80.14%0.04243%0.427CS..Hα-helixtrans-78.3-50.5175.7167.6-135.3000111.6W8 Y33 R43 S44 N48 E49 K50 L53 L55 L60 Y62W8-W46 HydrophobicContact CH2-CB 3.45Å; W8-W46 VanDerWaalsContact CH2-CB 3.45Å; W8-W46 AromaticContact CH2-CD1 3.62Å; W8-W46 AromaticContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CZ2-CB 4.27Å; W8-W46 AromaticContact CZ2-CD1 3.65Å; W8-W46 HydrophobicContact CZ2-CG 4.19Å; W8-W46 HydrophobicContact CZ3-CB 3.79Å; Y33-W46 HydrophobicContact CD1-CB 3.93Å; Y33-W46 HydrophobicContact CD2-CE3 4.28Å; Y33-W46 HydrophobicContact CE1-CB 4.4Å; Y33-W46 HydrophobicContact CE1-CE3 4.06Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.18Å; Y33-W46 HydrophobicContact CG-CB 3.97Å; Y33-W46 AromaticContact CZ-CE3 3.59Å; R43-W46 PolarHBondContact O-N 3.47Å; S44-W46 VanDerWaalsContact C-N 3.25Å; S44-W46 PolarHBondContact O-N 3.24Å; W46-N48 PolarHBondContact O-N 2.84Å; W46-N48 VanDerWaalsContact O-N 3.15Å; W46-E49 PolarHBondContact O-N 3.27Å; W46-K50 HydrophobicContact CD2-CB 4.04Å; W46-K50 HydrophobicContact CE3-CB 4.17Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.9Å; W46-K50 HydrophobicContact CZ2-CB 3.8Å; W46-K50 HydrophobicContact CZ2-CD 3.87Å; W46-K50 HydrophobicContact CZ2-CG 3.46Å; W46-K50 VanDerWaalsContact CZ2-CG 3.46Å; W46-K50 HydrophobicContact CZ3-CB 4.13Å; W46-K50 WeakPolarHBondContact O-CB 3.34Å; W46-K50 PolarHBondContact O-N 2.9Å; W46-L53 HydrophobicContact CH2-CD1 4.46Å; W46-L53 HydrophobicContact CZ3-CD1 3.84Å; W46-L55 HydrophobicContact CH2-CD1 4.16Å; W46-L60 HydrophobicContact CB-CD1 4.41Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.26Å; W46-L60 HydrophobicContact CD2-CG 4.01Å; W46-L60 HydrophobicContact CE3-CD1 4.34Å; W46-L60 HydrophobicContact CE3-CD2 4.1Å; W46-L60 HydrophobicContact CE3-CG 4.35Å; W46-L60 HydrophobicContact CG-CD1 3.77Å; W46-L60 HydrophobicContact CH2-CD2 4.08Å; W46-L60 HydrophobicContact CH2-CG 4.24Å; W46-L60 HydrophobicContact CZ2-CD1 4.47Å; W46-L60 HydrophobicContact CZ2-CD2 4.23Å; W46-L60 HydrophobicContact CZ2-CG 3.87Å; W46-L60 HydrophobicContact CZ3-CD2 4.02Å; W46-L60 HydrophobicContact CZ3-CG 4.46Å; W46-Y62 HydrophobicContact CH2-CD1 4.18Å; W46-Y62 HydrophobicContact CH2-CE1 4.29Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.79Å; W46-Y62 HydrophobicContact CZ3-CE1 3.79Å
47L98.4Very high98.1Very high94 Ų9486.8 Ų86.849%0.49245%0.451SS..Hα-helixtrans-61.3-29.3-172.7-65.4179.3000112.8R43 S44 E49 K50R43-L47 HydrophobicContact CB-CD1 3.89Å; R43-L47 HydrophobicContact CB-CG 3.98Å; R43-L47 WeakPolarHBondContact O-CG 3.15Å; R43-L47 PolarHBondContact O-N 3.46Å; S44-L47 PolarHBondContact O-N 3.14Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.11Å; L47-K50 HydrophobicContact CD2-CD 4.26Å
48N98.4Very high98.2Very high100 Ų10082.8 Ų82.854%0.53543%0.431SS..THydrogen-bonded Turntrans-71-23.8178-70.9-17.7000113.8S44 W46 K52S44-N48 WeakPolarHBondContact O-CB 3.29Å; S44-N48 PolarHBondContact O-N 3.14Å; S44-N48 PolarHBondContact O-ND2 3.45Å; W46-N48 PolarHBondContact O-N 2.84Å; W46-N48 VanDerWaalsContact O-N 3.15Å; N48-K52 WeakPolarHBondContact O-CD 3.39Å; N48-K52 VanDerWaalsContact O-CE 3.24Å; N48-K52 WeakPolarHBondContact O-CE 3.37Å; N48-K52 PolarHBondContact O-NZ 3.32Å
49E97.3Very high98.3Very high60 Ų6083.3 Ų83.328%0.2843%0.425SS..THydrogen-bonded Turntrans-109.4-20.9-179.6-66.4179.4-155.100112.9K31 Y33 W46 L47 F51 K52K31-E49 WeakPolarHBondContact CE-OE1 3.46Å; K31-E49 VanDerWaalsContact CE-OE2 3.29Å; K31-E49 WeakPolarHBondContact CE-OE2 3.48Å; K31-E49 IonicContact NZ-OE1 3.55Å; K31-E49 PolarHBondContact NZ-OE1 3.26Å; K31-E49 IonicContact NZ-OE2 3.86Å; Y33-E49 PolarHBondContact OH-OE2 2.74Å; W46-E49 PolarHBondContact O-N 3.27Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.11Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.75Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.49Å
50K98.3Very high98.4Very high52 Ų5278.8 Ų78.823%0.22640%0.395CS..THydrogen-bonded Turntrans-40.8-49.6-171.5175.8170.2-176.5-179.70114.7W46 L47 P58W46-K50 HydrophobicContact CD2-CB 4.04Å; W46-K50 HydrophobicContact CE3-CB 4.17Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.9Å; W46-K50 HydrophobicContact CZ2-CB 3.8Å; W46-K50 HydrophobicContact CZ2-CD 3.87Å; W46-K50 HydrophobicContact CZ2-CG 3.46Å; W46-K50 VanDerWaalsContact CZ2-CG 3.46Å; W46-K50 HydrophobicContact CZ3-CB 4.13Å; W46-K50 WeakPolarHBondContact O-CB 3.34Å; W46-K50 PolarHBondContact O-N 2.9Å; L47-K50 HydrophobicContact CD2-CD 4.26Å; K50-P58 WeakPolarHBondContact CE-O 3.34Å; K50-P58 HydrophobicContact CG-CB 3.7Å; K50-P58 WeakPolarHBondContact O-CB 3.49Å
51F98.5Very high98.4Very high153 Ų15372.3 Ų72.367%0.67136%0.36SS*.THydrogen-bonded Turntrans-96.28.4-175.7-59.8-77.4000114.1E49 P58E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.75Å; F51-P58 HydrophobicContact CD1-CB 4.24Å; F51-P58 HydrophobicContact CD1-CG 3.84Å; F51-P58 HydrophobicContact CE1-CB 4.27Å; F51-P58 HydrophobicContact CE1-CG 4.1Å
52K98.4Very high98.5Very high166 Ų16669.4 Ų69.472%0.72235%0.349SS*.THydrogen-bonded Turntrans-108.6-6.9-175.8-59.8177.9-176.2160.70113.6N48 E49N48-K52 WeakPolarHBondContact O-CD 3.39Å; N48-K52 VanDerWaalsContact O-CE 3.24Å; N48-K52 WeakPolarHBondContact O-CE 3.37Å; N48-K52 PolarHBondContact O-NZ 3.32Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.49Å
53L98.2Very high98.5Very high38 Ų3865.7 Ų65.720%0.19933%0.329CS..SBendtrans-86.3-8.6-177-62.2174.1000113.5W46 L55 Y62 I64 K69W46-L53 HydrophobicContact CH2-CD1 4.46Å; W46-L53 HydrophobicContact CZ3-CD1 3.84Å; L53-L55 HydrophobicContact CB-CD1 4.25Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L53-L55 HydrophobicContact CD1-CD1 4.19Å; L53-Y62 HydrophobicContact CD1-CD1 4.1Å; L53-Y62 HydrophobicContact CD1-CE1 3.42Å; L53-Y62 VanDerWaalsContact CD1-CE1 3.42Å; L53-Y62 HydrophobicContact CD1-CE2 4.28Å; L53-I64 HydrophobicContact CB-CD1 4.45Å; L53-K69 VanDerWaalsContact O-CD 3.32Å; L53-K69 WeakPolarHBondContact O-CD 3.06Å; L53-K69 VanDerWaalsContact O-CE 3.3Å; L53-K69 WeakPolarHBondContact O-CE 3.32Å
54G98.2Very high98.5Very high49 Ų4962.4 Ų62.451%0.50532%0.318SS..  trans74.222.6-177.200000114.4K69G54-K69 WeakPolarHBondContact O-CD 3.38Å
55L98.6Very high98.5Very high14 Ų1461.8 Ų61.87%0.07331%0.312CS..  trans-71.7137.1174.2-57.5168.4000109.9W46 L53 P58 Y62 K69 T71W46-L55 HydrophobicContact CH2-CD1 4.16Å; L53-L55 HydrophobicContact CB-CD1 4.25Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L53-L55 HydrophobicContact CD1-CD1 4.19Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.21Å; L55-P58 WeakPolarHBondContact O-CD 3.34Å; L55-Y62 HydrophobicContact CD1-CD1 3.91Å; L55-Y62 HydrophobicContact CD1-CG 4.05Å; L55-Y62 HydrophobicContact CD2-CG 4.23Å; L55-K69 HydrophobicContact CD2-CB 4.13Å; L55-T71 HydrophobicContact CB-CG2 4.23Å; L55-T71 HydrophobicContact CD1-CG2 4.08Å; L55-T71 HydrophobicContact CD2-CG2 3.94Å; L55-T71 HydrophobicContact CG-CG2 4.31Å
56D98.7Very high98.5Very high130 Ų13060.1 Ų60.170%0.69532%0.318SS*.SBendtrans-65.6-43.2178.1-59.3-68.1000112.2
57F98.7Very high98.4Very high162 Ų16263.6 Ų63.671%0.71135%0.349SS*.SBendtrans-12479.4175.6-58.8-80.5000110N59 T71F57-N59 WeakPolarHBondContact O-CB 3.3Å; F57-N59 PolarHBondContact O-N 3.34Å; F57-T71 WeakPolarHBondContact O-CG2 3.4Å; F57-T71 PolarHBondContact O-OG1 2.95Å
58P98.7Very high98.4Very high29 Ų2964.3 Ų64.319%0.18835%0.35CS..  trans-51.6109.5-170.4-30.336.5000114.4K50 F51 L55K50-P58 WeakPolarHBondContact CE-O 3.34Å; K50-P58 HydrophobicContact CG-CB 3.7Å; K50-P58 WeakPolarHBondContact O-CB 3.49Å; F51-P58 HydrophobicContact CD1-CB 4.24Å; F51-P58 HydrophobicContact CD1-CG 3.84Å; F51-P58 HydrophobicContact CE1-CB 4.27Å; F51-P58 HydrophobicContact CE1-CG 4.1Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.21Å; L55-P58 WeakPolarHBondContact O-CD 3.34Å
59N98.8Very high98.4Very high75 Ų7563.5 Ų63.540%0.40134%0.342SS..  trans-153.5171.7-175.7-152.3-1.2000112.1F57 T71F57-N59 WeakPolarHBondContact O-CB 3.3Å; F57-N59 PolarHBondContact O-N 3.34Å; N59-T71 HydrophobicContact CB-CG2 4.4Å
60L98.8Very high98.5Very high13 Ų1361.9 Ų61.97%0.06834%0.335CS..SBendtrans-120.4134.2173.8-66173.4000109.5Y7 W8 Y33 W46 Y62Y7-L60 HydrophobicContact CD2-CB 3.81Å; Y7-L60 HydrophobicContact CE2-CB 4.12Å; W8-L60 HydrophobicContact CD2-CD1 3.85Å; W8-L60 VanDerWaalsContact CE2-CD1 3.48Å; W8-L60 HydrophobicContact CE3-CD1 4.39Å; W8-L60 HydrophobicContact CG-CD1 4.27Å; W8-L60 HydrophobicContact CH2-CD1 4.26Å; W8-L60 HydrophobicContact CZ2-CD1 3.72Å; Y33-L60 HydrophobicContact CD2-CD1 4.06Å; Y33-L60 HydrophobicContact CD2-CD2 3.89Å; Y33-L60 HydrophobicContact CE2-CD2 3.78Å; W46-L60 HydrophobicContact CB-CD1 4.41Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.26Å; W46-L60 HydrophobicContact CD2-CG 4.01Å; W46-L60 HydrophobicContact CE3-CD1 4.34Å; W46-L60 HydrophobicContact CE3-CD2 4.1Å; W46-L60 HydrophobicContact CE3-CG 4.35Å; W46-L60 HydrophobicContact CG-CD1 3.77Å; W46-L60 HydrophobicContact CH2-CD2 4.08Å; W46-L60 HydrophobicContact CH2-CG 4.24Å; W46-L60 HydrophobicContact CZ2-CD1 4.47Å; W46-L60 HydrophobicContact CZ2-CD2 4.23Å; W46-L60 HydrophobicContact CZ2-CG 3.87Å; W46-L60 HydrophobicContact CZ3-CD2 4.02Å; W46-L60 HydrophobicContact CZ3-CG 4.46Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.76Å
61P98.9Very high98.5Very high3 Ų360.2 Ų60.22%0.01933%0.329CS..SBendcis-73.5156.1-0.530.5-33.2000113.2L5 G6 Y7 I17 I76L5-P61 HydrophobicContact CD1-CB 4.23Å; G6-P61 WeakPolarHBondContact O-CA 3.47Å; Y7-P61 HydrophobicContact CD2-CB 3.62Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.39Å; Y7-P61 HydrophobicContact CG-CB 4.27Å; I17-P61 HydrophobicContact CD1-CB 3.96Å; I17-P61 HydrophobicContact CD1-CG 3.61Å; P61-I76 HydrophobicContact CB-CD1 4.12Å; P61-I76 HydrophobicContact CG-CD1 4.11Å
62Y98.9Very high98.5Very high4 Ų458.6 Ų58.62%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-124.5153.9164.169-108.2000110.8I4 L5 G6 Y33 W46 L53 L55 L60 I64 I70I4-Y62 HydrophobicContact CG2-CE2 4.24Å; L5-Y62 WeakPolarHBondContact CA-O 3.33Å; L5-Y62 WeakPolarHBondContact CD1-O 3.47Å; G6-Y62 VanDerWaalsContact CA-CZ 3.44Å; G6-Y62 PolarHBondContact N-O 3.37Å; G6-Y62 PolarHBondContact O-N 3.34Å; Y33-Y62 AromaticContact CE2-CE1 3.8Å; Y33-Y62 HydrophobicContact CE2-CE1 3.8Å; Y33-Y62 PolarHBondContact OH-OH 3.06Å; W46-Y62 HydrophobicContact CH2-CD1 4.18Å; W46-Y62 HydrophobicContact CH2-CE1 4.29Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.79Å; W46-Y62 HydrophobicContact CZ3-CE1 3.79Å; L53-Y62 HydrophobicContact CD1-CD1 4.1Å; L53-Y62 HydrophobicContact CD1-CE1 3.42Å; L53-Y62 VanDerWaalsContact CD1-CE1 3.42Å; L53-Y62 HydrophobicContact CD1-CE2 4.28Å; L55-Y62 HydrophobicContact CD1-CD1 3.91Å; L55-Y62 HydrophobicContact CD1-CG 4.05Å; L55-Y62 HydrophobicContact CD2-CG 4.23Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.76Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.9Å; Y62-I64 HydrophobicContact CE2-CD1 3.94Å; Y62-I64 HydrophobicContact CE2-CG1 4.06Å; Y62-I70 CarbonylContact C-O 3.44Å; Y62-I70 WeakPolarHBondContact CA-O 3.47Å; Y62-I70 WeakPolarHBondContact CB-O 3.15Å
63L98.9Very high98.6Very high0 Ų051.1 Ų51.10%029%0.292CS..EExtended strand (participates in β ladder)trans-123.2129.2167.9-171.178.9000109.1M3 I4 L5 I70 I76 Y79 I80M3-L63 HydrophobicContact CB-CD1 4.18Å; M3-L63 HydrophobicContact SD-CD2 4.09Å; I4-L63 CarbonylContact O-C 3.55Å; I4-L63 WeakPolarHBondContact O-CA 3.36Å; L5-L63 HydrophobicContact CB-CD1 4.32Å; L63-I70 PolarHBondContact N-O 2.94Å; L63-I70 PolarHBondContact O-N 3.14Å; L63-I76 HydrophobicContact CB-CD1 4.21Å; L63-I76 HydrophobicContact CB-CG1 3.98Å; L63-I76 HydrophobicContact CB-CG2 3.8Å; L63-I76 HydrophobicContact CD2-CG2 4.06Å; L63-I76 HydrophobicContact CG-CG2 4.36Å; L63-Y79 HydrophobicContact CD2-CD1 3.69Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; L63-I80 HydrophobicContact CD2-CD1 4.31Å; L63-I80 HydrophobicContact CD2-CG1 4.13Å
64I98.8Very high98.6Very high29 Ų2950.7 Ų50.715%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-112122.5170-58.6176.5000108.5M3 I4 L53 Y62 H68M3-I64 CarbonylContact C-O 3.55Å; M3-I64 VanDerWaalsContact CA-O 3.29Å; M3-I64 WeakPolarHBondContact CA-O 3.26Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 2.77Å; I4-I64 PolarHBondContact O-N 3.05Å; L53-I64 HydrophobicContact CB-CD1 4.45Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.9Å; Y62-I64 HydrophobicContact CE2-CD1 3.94Å; Y62-I64 HydrophobicContact CE2-CG1 4.06Å; I64-H68 WeakPolarHBondContact CA-O 3.24Å
65D98.5Very high98.6Very high28 Ų2850.3 Ų50.315%0.1528%0.282CS..EExtended strand (participates in β ladder)trans-134.992.9178.6-177.87.3000109.5M3 A67 H68 Y79 K83M3-D65 HydrophobicContact CG-CB 3.72Å; M3-D65 VanDerWaalsContact CG-CG 3.49Å; M3-D65 HydrophobicContact SD-CB 4Å; D65-A67 PolarHBondContact O-N 2.82Å; D65-A67 VanDerWaalsContact O-N 3.1Å; D65-H68 PolarHBondContact N-O 3.48Å; D65-H68 WeakPolarHBondContact O-CB 3.48Å; D65-H68 PolarHBondContact O-N 3.41Å; D65-Y79 HydrophobicContact CB-CE1 4.14Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.49Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; D65-K83 IonicContact OD2-NZ 2.88Å; D65-K83 PolarHBondContact OD2-NZ 3.2Å
66G97.2Very high98.6Very high52 Ų5249.7 Ų49.754%0.53628%0.279SS..THydrogen-bonded Turntrans57.6-114.6-17200000111.5
67A97.3Very high98.6Very high85 Ų8543.5 Ų43.570%0.70225%0.246SC*.THydrogen-bonded Turntrans-78.6-21.6178.500000113.4D65D65-A67 PolarHBondContact O-N 2.82Å; D65-A67 VanDerWaalsContact O-N 3.1Å
68H98.6Very high98.6Very high109 Ų10936.9 Ų36.951%0.50522%0.219SC..EExtended strand (participates in β ladder)trans-79.6127.5-176.8-59.6-58.1000110.8I64 D65 I70 Y79I64-H68 WeakPolarHBondContact CA-O 3.24Å; D65-H68 PolarHBondContact N-O 3.48Å; D65-H68 WeakPolarHBondContact O-CB 3.48Å; D65-H68 PolarHBondContact O-N 3.41Å; H68-I70 HydrophobicContact CB-CD1 4.39Å; H68-I70 HydrophobicContact CB-CG1 4.42Å; H68-Y79 HydrophobicContact CB-CE2 4.46Å; H68-Y79 PolarHBondContact CD2-OH 3.34Å; H68-Y79 VanDerWaalsContact CD2-OH 3.3Å
69K98.7Very high98.6Very high82 Ų8236.6 Ų36.636%0.35722%0.215SC..EExtended strand (participates in β ladder)trans-128.6106.9-178.8-63.1-177.2-174.980.20108L53 G54 L55L53-K69 VanDerWaalsContact O-CD 3.32Å; L53-K69 WeakPolarHBondContact O-CD 3.06Å; L53-K69 VanDerWaalsContact O-CE 3.3Å; L53-K69 WeakPolarHBondContact O-CE 3.32Å; G54-K69 WeakPolarHBondContact O-CD 3.38Å; L55-K69 HydrophobicContact CD2-CB 4.13Å
70I98.9Very high98.6Very high26 Ų2633.1 Ų33.113%0.13320%0.196CC..EExtended strand (participates in β ladder)trans-122.8131.7-163.6-47.6175.9000108.8Y62 L63 H68 A75 I76 Y79Y62-I70 CarbonylContact C-O 3.44Å; Y62-I70 WeakPolarHBondContact CA-O 3.47Å; Y62-I70 WeakPolarHBondContact CB-O 3.15Å; L63-I70 PolarHBondContact N-O 2.94Å; L63-I70 PolarHBondContact O-N 3.14Å; H68-I70 HydrophobicContact CB-CD1 4.39Å; H68-I70 HydrophobicContact CB-CG1 4.42Å; I70-A75 HydrophobicContact CG2-CB 4.13Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.76Å; I70-Y79 HydrophobicContact CD1-CD1 3.55Å; I70-Y79 HydrophobicContact CD1-CD2 3.48Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.48Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.9Å; I70-Y79 HydrophobicContact CD1-CG 3.26Å
71T98.9Very high98.6Very high18 Ų1832.5 Ų32.511%0.1119%0.193CC..EExtended strand (participates in β ladder)trans-117.9173.2168.6550000109.6L55 F57 N59L55-T71 HydrophobicContact CB-CG2 4.23Å; L55-T71 HydrophobicContact CD1-CG2 4.08Å; L55-T71 HydrophobicContact CD2-CG2 3.94Å; L55-T71 HydrophobicContact CG-CG2 4.31Å; F57-T71 WeakPolarHBondContact O-CG2 3.4Å; F57-T71 PolarHBondContact O-OG1 2.95Å; N59-T71 HydrophobicContact CB-CG2 4.4Å
72Q98.8Very high98.6Very high118 Ų11839.4 Ų39.455%0.55122%0.219SC*.SBendtrans73.6119.6-170.1-56.9-70.6-3.100112.2N74 A75 I76Q72-N74 VanDerWaalsContact C-N 3.3Å; Q72-N74 PolarHBondContact O-N 3.23Å; Q72-A75 HydrophobicContact CB-CB 4.07Å; Q72-A75 PolarHBondContact O-N 2.94Å; Q72-A75 VanDerWaalsContact O-N 3.14Å; Q72-I76 WeakPolarHBondContact O-CG1 3.48Å; Q72-I76 PolarHBondContact O-N 3.47Å
73S98.8Very high98.6Very high9 Ų944.5 Ų44.56%0.06324%0.241CC..Hα-helixtrans-56.2-43.8-174.351.30000112.6I76 L77S73-I76 WeakPolarHBondContact O-CB 3.36Å; S73-I76 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 2.82Å
74N98.6Very high98.6Very high29 Ų2948.1 Ų48.116%0.15526%0.258CS..Hα-helixtrans-66.3-40.6179.9-73.415.2000111.8Q72 I76 L77 C78 E101Q72-N74 VanDerWaalsContact C-N 3.3Å; Q72-N74 PolarHBondContact O-N 3.23Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.4Å; N74-L77 PolarHBondContact O-N 2.78Å; N74-C78 VanDerWaalsContact O-CB 3.25Å; N74-C78 WeakPolarHBondContact O-CB 3.33Å; N74-C78 PolarHBondContact O-N 2.87Å; N74-E101 HydrophobicContact CB-CG 4.3Å; N74-E101 VanDerWaalsContact CB-OE1 3.29Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 WeakPolarHBondContact ND2-CG 3.43Å
75A98.9Very high98.5Very high42 Ų4253.3 Ų53.335%0.34729%0.285SS..Hα-helixtrans-64.3-38.5174.800000112.2I70 Q72 Y79I70-A75 HydrophobicContact CG2-CB 4.13Å; Q72-A75 HydrophobicContact CB-CB 4.07Å; Q72-A75 PolarHBondContact O-N 2.94Å; Q72-A75 VanDerWaalsContact O-N 3.14Å; A75-Y79 WeakPolarHBondContact O-CB 3.23Å; A75-Y79 PolarHBondContact O-N 3.02Å
76I98.9Very high98.5Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-64-48.6174.6-65.9166000110.6I17 P61 L63 I70 Q72 S73 N74 Y79 I80I17-I76 HydrophobicContact CD1-CB 4.14Å; I17-I76 HydrophobicContact CD1-CD1 4.11Å; I17-I76 HydrophobicContact CD1-CG2 3.92Å; I17-I76 HydrophobicContact CG1-CG2 4.15Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; P61-I76 HydrophobicContact CB-CD1 4.12Å; P61-I76 HydrophobicContact CG-CD1 4.11Å; L63-I76 HydrophobicContact CB-CD1 4.21Å; L63-I76 HydrophobicContact CB-CG1 3.98Å; L63-I76 HydrophobicContact CB-CG2 3.8Å; L63-I76 HydrophobicContact CD2-CG2 4.06Å; L63-I76 HydrophobicContact CG-CG2 4.36Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.76Å; Q72-I76 WeakPolarHBondContact O-CG1 3.48Å; Q72-I76 PolarHBondContact O-N 3.47Å; S73-I76 WeakPolarHBondContact O-CB 3.36Å; S73-I76 PolarHBondContact O-N 3.48Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.4Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.5Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 WeakPolarHBondContact O-CG1 3.34Å; I76-I80 PolarHBondContact O-N 3Å
77L98.9Very high98.6Very high1 Ų152 Ų521%0.00527%0.268CS..Hα-helixtrans-58.8-50.1177-74.1165.9000111.1A16 I17 L20 S73 N74 Y79 I80 A81 F155 L159A16-L77 HydrophobicContact CB-CD1 4.17Å; A16-L77 HydrophobicContact CB-CD2 4.17Å; I17-L77 HydrophobicContact CB-CD2 4.49Å; I17-L77 HydrophobicContact CG1-CD2 3.99Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; L20-L77 HydrophobicContact CB-CD2 4.11Å; L20-L77 HydrophobicContact CD2-CB 4.46Å; L20-L77 HydrophobicContact CD2-CD2 3.61Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 2.82Å; N74-L77 PolarHBondContact O-N 2.78Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 3.44Å; L77-I80 PolarHBondContact O-N 2.8Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.24Å; L77-F155 HydrophobicContact CB-CD2 3.79Å; L77-F155 HydrophobicContact CB-CE2 4.34Å; L77-F155 HydrophobicContact CB-CG 4.49Å; L77-L159 HydrophobicContact CD1-CD1 4.02Å; L77-L159 HydrophobicContact CD1-CD2 3.44Å; L77-L159 VanDerWaalsContact CD1-CD2 3.44Å; L77-L159 HydrophobicContact CD1-CG 3.7Å
78C98.7Very high98.6Very high22 Ų2248.5 Ų48.515%0.14924%0.241CC..Hα-helixtrans-57.4-39.8176-85.60000112.7N74 A81 R82 E101 F155N74-C78 VanDerWaalsContact O-CB 3.25Å; N74-C78 WeakPolarHBondContact O-CB 3.33Å; N74-C78 PolarHBondContact O-N 2.87Å; C78-A81 PolarHBondContact O-N 3.35Å; C78-R82 WeakPolarHBondContact O-CB 3.49Å; C78-R82 WeakPolarHBondContact O-CG 3.38Å; C78-R82 PolarHBondContact O-N 2.98Å; C78-E101 PolarHBondContact SG-OE1 3.26Å; C78-F155 VanDerWaalsContact SG-CZ 3.51Å
79Y98.9Very high98.6Very high24 Ų2448.5 Ų48.59%0.09424%0.241CC..Hα-helixtrans-62-49.6176.5170.7-100.1000112L63 D65 H68 I70 A75 I76 L77 A81 R82 K83L63-Y79 HydrophobicContact CD2-CD1 3.69Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; D65-Y79 HydrophobicContact CB-CE1 4.14Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.49Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; H68-Y79 HydrophobicContact CB-CE2 4.46Å; H68-Y79 PolarHBondContact CD2-OH 3.34Å; H68-Y79 VanDerWaalsContact CD2-OH 3.3Å; I70-Y79 HydrophobicContact CD1-CD1 3.55Å; I70-Y79 HydrophobicContact CD1-CD2 3.48Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.48Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.9Å; I70-Y79 HydrophobicContact CD1-CG 3.26Å; A75-Y79 WeakPolarHBondContact O-CB 3.23Å; A75-Y79 PolarHBondContact O-N 3.02Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.5Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 3.44Å; Y79-A81 VanDerWaalsContact C-N 3.35Å; Y79-R82 PolarHBondContact O-N 2.89Å; Y79-K83 HydrophobicContact CE1-CD 4.19Å; Y79-K83 VanDerWaalsContact CZ-CE 3.43Å; Y79-K83 PolarHBondContact O-N 2.87Å; Y79-K83 WeakPolarHBondContact OH-CE 3.21Å; Y79-K83 PolarHBondContact OH-NZ 2.93Å
80I98.8Very high98.6Very high2 Ų247.5 Ų47.51%0.0124%0.242CC..Hα-helixtrans-63.8-45.6177.2-59.4160.1000109.2I17 L20 L21 T24 L63 I76 L77 R82 K83 H84I17-I80 HydrophobicContact CG2-CD1 4.07Å; L20-I80 HydrophobicContact CD2-CB 3.83Å; L20-I80 HydrophobicContact CD2-CD1 4.43Å; L20-I80 HydrophobicContact CD2-CG2 3.82Å; L20-I80 HydrophobicContact CG-CB 4.38Å; L20-I80 HydrophobicContact CG-CG2 3.83Å; L21-I80 HydrophobicContact CD2-CD1 3.72Å; L21-I80 HydrophobicContact CD2-CG1 4.27Å; L21-I80 HydrophobicContact CG-CD1 3.94Å; T24-I80 HydrophobicContact CG2-CG2 4.3Å; L63-I80 HydrophobicContact CD2-CD1 4.31Å; L63-I80 HydrophobicContact CD2-CG1 4.13Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 WeakPolarHBondContact O-CG1 3.34Å; I76-I80 PolarHBondContact O-N 3Å; L77-I80 PolarHBondContact O-N 2.8Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 3.14Å; I80-K83 WeakPolarHBondContact O-CB 3.29Å; I80-K83 PolarHBondContact O-N 2.9Å; I80-H84 PolarHBondContact O-CD2 3.38Å; I80-H84 VanDerWaalsContact O-CD2 3.26Å; I80-H84 PolarHBondContact O-N 2.94Å
81A98.8Very high98.6Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-56.8-44.4-179.600000112.7L77 C78 Y79 K83 H84 N85 L86 C87 F155L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.24Å; C78-A81 PolarHBondContact O-N 3.35Å; Y79-A81 VanDerWaalsContact C-N 3.35Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.46Å; A81-H84 CarbonylContact O-C 3.44Å; A81-H84 PolarHBondContact O-N 2.89Å; A81-H84 VanDerWaalsContact O-N 3.1Å; A81-N85 PolarHBondContact O-N 2.86Å; A81-L86 HydrophobicContact CB-CB 4.06Å; A81-L86 PolarHBondContact O-N 3.37Å; A81-C87 VanDerWaalsContact CB-SG 3.55Å; A81-F155 HydrophobicContact CB-CB 3.69Å; A81-F155 HydrophobicContact CB-CD1 3.65Å; A81-F155 HydrophobicContact CB-CG 3.91Å
82R98.7Very high98.5Very high148 Ų14857.3 Ų57.356%0.55829%0.286SS*.Hα-helixtrans-63.2-34.4177.5-77.1-172.3-61.9-93.1-0.4112.8C78 Y79 I80 H84 C87C78-R82 WeakPolarHBondContact O-CB 3.49Å; C78-R82 WeakPolarHBondContact O-CG 3.38Å; C78-R82 PolarHBondContact O-N 2.98Å; Y79-R82 PolarHBondContact O-N 2.89Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 3.14Å; R82-H84 PolarHBondContact O-N 3.25Å; R82-C87 VanDerWaalsContact CG-SG 3.57Å
83K98Very high98.5Very high111 Ų11153 Ų5348%0.48327%0.266SS..Hα-helixtrans-65.2-23.1175.6-75.5-171.5162-164.70113.4D65 Y79 I80 A81D65-K83 IonicContact OD2-NZ 2.88Å; D65-K83 PolarHBondContact OD2-NZ 3.2Å; Y79-K83 HydrophobicContact CE1-CD 4.19Å; Y79-K83 VanDerWaalsContact CZ-CE 3.43Å; Y79-K83 PolarHBondContact O-N 2.87Å; Y79-K83 WeakPolarHBondContact OH-CE 3.21Å; Y79-K83 PolarHBondContact OH-NZ 2.93Å; I80-K83 WeakPolarHBondContact O-CB 3.29Å; I80-K83 PolarHBondContact O-N 2.9Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.46Å
84H98.4Very high98.5Very high76 Ų7656.7 Ų56.735%0.35228%0.281SS..THydrogen-bonded Turntrans-121.812.5-172.6-63.2-84000113.5T24 I80 A81 R82 L86T24-H84 HydrophobicContact CG2-CB 3.98Å; I80-H84 PolarHBondContact O-CD2 3.38Å; I80-H84 VanDerWaalsContact O-CD2 3.26Å; I80-H84 PolarHBondContact O-N 2.94Å; A81-H84 CarbonylContact O-C 3.44Å; A81-H84 PolarHBondContact O-N 2.89Å; A81-H84 VanDerWaalsContact O-N 3.1Å; R82-H84 PolarHBondContact O-N 3.25Å; H84-L86 HydrophobicContact CB-CD1 3.98Å; H84-L86 HydrophobicContact CB-CG 4.1Å; H84-L86 PolarHBondContact O-N 3.2Å
85N97.9Very high98.6Very high137 Ų13759.2 Ų59.273%0.73329%0.293SS*.THydrogen-bonded Turntrans55.743.3-177.7-60-42000114.2A81A81-N85 PolarHBondContact O-N 2.86Å
86L98.7Very high98.6Very high17 Ų1758.8 Ų58.89%0.08928%0.283CS..  trans-106.630.4-178.3-61.7173.1000113.1L20 Y23 T24 A81 H84 I153 T154 F155L20-L86 HydrophobicContact CD1-CD1 3.79Å; Y23-L86 HydrophobicContact CD1-CD1 4.27Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; T24-L86 HydrophobicContact CG2-CD1 3.74Å; A81-L86 HydrophobicContact CB-CB 4.06Å; A81-L86 PolarHBondContact O-N 3.37Å; H84-L86 HydrophobicContact CB-CD1 3.98Å; H84-L86 HydrophobicContact CB-CG 4.1Å; H84-L86 PolarHBondContact O-N 3.2Å; L86-I153 HydrophobicContact CD2-CG2 4.27Å; L86-T154 CarbonylContact O-C 3.45Å; L86-T154 VanDerWaalsContact O-CA 3.27Å; L86-T154 WeakPolarHBondContact O-CA 3.3Å; L86-T154 VanDerWaalsContact O-CB 3.25Å; L86-T154 WeakPolarHBondContact O-CB 3.21Å; L86-F155 WeakPolarHBondContact O-CD1 3.38Å; L86-F155 PolarHBondContact O-N 3.41Å
87C98.3Very high98.5Very high35 Ų3558.9 Ų58.924%0.23628%0.284CS..SBendtrans-105.6-1-171.8-64.10000115.4A81 R82A81-C87 VanDerWaalsContact CB-SG 3.55Å; R82-C87 VanDerWaalsContact CG-SG 3.57Å
88G97.5Very high98.5Very high12 Ų1263.1 Ų63.112%0.12431%0.306CS..  trans84.9137.5-162.700000111.1
89E98Very high98.5Very high110 Ų11066.1 Ų66.151%0.51432%0.32SS..SBendtrans-101.9-40.8-172.7-64.1177175.800111E93 K152E89-E93 PolarHBondContact N-OE2 3.44Å; E89-K152 IonicContact OE1-NZ 2.68Å; E89-K152 PolarHBondContact OE1-NZ 3.02Å; E89-K152 IonicContact OE2-NZ 2.71Å; E89-K152 PolarHBondContact OE2-NZ 2.82Å
90T98.5Very high98.5Very high61 Ų6165.2 Ų65.237%0.37432%0.316SS..SBendtrans-93.7165.9178.485.60000112.4E92 E93 K94T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 VanDerWaalsContact CB-OE2 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.81Å; T90-E92 PolarHBondContact OG1-N 3.43Å; T90-E92 PolarHBondContact OG1-OE2 3.27Å; T90-E93 PolarHBondContact N-OE2 3.35Å; T90-E93 PolarHBondContact O-N 2.86Å; T90-E93 PolarHBondContact OG1-N 3.32Å; T90-K94 VanDerWaalsContact O-CG 3.29Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3Å
91E98.7Very high98.5Very high119 Ų11966.4 Ų66.456%0.55632%0.322SS*.Hα-helixtrans-62.3-39.1175.7-17162-169.600111.6E93 K94 I95E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.48Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-I95 HydrophobicContact CG-CD1 4.11Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 2.9Å
92E98.7Very high98.5Very high130 Ų13071 Ų7161%0.60735%0.347SS*.Hα-helixtrans-63.2-40.2176.3-58.377.8-170.800111.8T90 R96T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 VanDerWaalsContact CB-OE2 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.81Å; T90-E92 PolarHBondContact OG1-N 3.43Å; T90-E92 PolarHBondContact OG1-OE2 3.27Å; E92-R96 VanDerWaalsContact O-CG 3.25Å; E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 2.93Å
93E98.8Very high98.5Very high29 Ų2967.4 Ų67.414%0.13634%0.336CS..Hα-helixtrans-66.7-42.8176.3-69-177.1151.800111.2E89 T90 E91 R96 V97 A149E89-E93 PolarHBondContact N-OE2 3.44Å; T90-E93 PolarHBondContact N-OE2 3.35Å; T90-E93 PolarHBondContact O-N 2.86Å; T90-E93 PolarHBondContact OG1-N 3.32Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.48Å; E93-R96 PolarHBondContact O-N 3.18Å; E93-V97 VanDerWaalsContact O-CG2 3.32Å; E93-V97 WeakPolarHBondContact O-CG2 3.05Å; E93-V97 PolarHBondContact O-N 3.1Å; E93-A149 HydrophobicContact CB-CB 4.34Å
94K98.8Very high98.6Very high85 Ų8562.3 Ų62.337%0.3731%0.314SS..Hα-helixtrans-62-46177-69.6168.1-167.5168.60112T90 E91 R96 V97 D98T90-K94 VanDerWaalsContact O-CG 3.29Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3Å; E91-K94 PolarHBondContact O-N 2.88Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.31Å; K94-V97 WeakPolarHBondContact O-CB 3.23Å; K94-V97 PolarHBondContact O-N 2.84Å; K94-V97 VanDerWaalsContact O-N 3.11Å; K94-D98 PolarHBondContact O-N 2.87Å
95I98.8Very high98.5Very high83 Ų8361 Ų6143%0.42631%0.309SS..Hα-helixtrans-56.1-43.5175.3-70.8165.2000110.7E91 D98 I99E91-I95 HydrophobicContact CG-CD1 4.11Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 2.9Å; I95-D98 PolarHBondContact O-N 3.14Å; I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.7Å
96R98.9Very high98.6Very high32 Ų3259.4 Ų59.412%0.12130%0.3CS..Hα-helixtrans-67.1-40.2178.8-68.4173.568.878.74.6112E92 E93 K94 L100 F141 R145 F148 A149E92-R96 VanDerWaalsContact O-CG 3.25Å; E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 2.93Å; E93-R96 PolarHBondContact O-N 3.18Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.31Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 WeakPolarHBondContact O-CG 3.35Å; R96-L100 PolarHBondContact O-N 3.12Å; R96-L100 VanDerWaalsContact O-N 3.14Å; R96-F141 HydrophobicContact CB-CE1 4.07Å; R96-F141 HydrophobicContact CB-CZ 3.94Å; R96-F141 HydrophobicContact CG-CE1 4.15Å; R96-F141 HydrophobicContact CG-CZ 3.76Å; R96-F141 VanDerWaalsContact CZ-CE1 3.48Å; R96-F141 PolarHBondContact NH1-O 3.22Å; R96-F141 PolarHBondContact NH2-O 3.47Å; R96-R145 VanDerWaalsContact CZ-CZ 3.46Å; R96-F148 PolarHBondContact NE-O 3.32Å; R96-F148 PolarHBondContact NH2-O 3.23Å; R96-A149 WeakPolarHBondContact CD-O 3.3Å; R96-A149 PolarHBondContact NE-O 2.71Å
97V98.9Very high98.5Very high3 Ų359 Ų592%0.01830%0.299CS..Hα-helixtrans-60.7-50.1174.61660000110.5E93 K94 I99 L100 E101 A149 T154 F155 V156E93-V97 VanDerWaalsContact O-CG2 3.32Å; E93-V97 WeakPolarHBondContact O-CG2 3.05Å; E93-V97 PolarHBondContact O-N 3.1Å; K94-V97 WeakPolarHBondContact O-CB 3.23Å; K94-V97 PolarHBondContact O-N 2.84Å; K94-V97 VanDerWaalsContact O-N 3.11Å; V97-I99 PolarHBondContact O-N 3.01Å; V97-L100 PolarHBondContact O-N 3.32Å; V97-E101 WeakPolarHBondContact O-CB 3.43Å; V97-E101 PolarHBondContact O-N 3.22Å; V97-A149 HydrophobicContact CG2-CB 3.89Å; V97-T154 HydrophobicContact CG2-CG2 4.31Å; V97-F155 HydrophobicContact CG1-CD1 4.36Å; V97-F155 HydrophobicContact CG1-CE1 3.4Å; V97-F155 VanDerWaalsContact CG1-CE1 3.4Å; V97-F155 HydrophobicContact CG1-CZ 3.63Å; V97-V156 HydrophobicContact CG1-CB 4.5Å; V97-V156 HydrophobicContact CG2-CB 4.47Å; V97-V156 HydrophobicContact CG2-CG1 4.27Å
98D98.8Very high98.3Very high89 Ų8958.2 Ų58.248%0.47629%0.291SS..Hα-helixtrans-63.4-43.8-176.7-65.6-13.1000111.8K94 I95 N102K94-D98 PolarHBondContact O-N 2.87Å; I95-D98 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-ND2 3.27Å
99I98.8Very high98.3Very high86 Ų8661.9 Ų61.944%0.44131%0.306SS..Hα-helixtrans-60-49.6176.3-70.9167.8000110.3I95 V97 N102 Q103I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.7Å; V97-I99 PolarHBondContact O-N 3.01Å; I99-N102 PolarHBondContact O-N 3.35Å; I99-Q103 VanDerWaalsContact O-CB 3.26Å; I99-Q103 WeakPolarHBondContact O-CB 3.26Å; I99-Q103 PolarHBondContact O-N 2.68Å
100L98.8Very high98.2Very high4 Ų459.1 Ų59.12%0.02129%0.293CS..Hα-helixtrans-73.3-33.2-174.4-75.7171.5000113.2R96 V97 N102 Q103 T104 Y138 F141 F148 V156 V160R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 WeakPolarHBondContact O-CG 3.35Å; R96-L100 PolarHBondContact O-N 3.12Å; R96-L100 VanDerWaalsContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 3.32Å; L100-N102 PolarHBondContact O-N 2.9Å; L100-Q103 PolarHBondContact O-N 3.4Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.34Å; L100-T104 PolarHBondContact O-OG1 3.16Å; L100-Y138 HydrophobicContact CD2-CD1 4.16Å; L100-Y138 HydrophobicContact CD2-CE1 3.96Å; L100-F141 HydrophobicContact CD1-CD1 3.87Å; L100-F141 HydrophobicContact CD1-CE1 3.46Å; L100-F141 VanDerWaalsContact CD1-CE1 3.46Å; L100-F141 HydrophobicContact CD1-CZ 4.46Å; L100-F141 HydrophobicContact CD2-CD1 3.98Å; L100-F141 HydrophobicContact CD2-CE1 4.08Å; L100-F141 HydrophobicContact CG-CD1 4.07Å; L100-F141 HydrophobicContact CG-CE1 3.66Å; L100-F141 HydrophobicContact CG-CZ 4.31Å; L100-F148 HydrophobicContact CD1-CB 3.47Å; L100-F148 VanDerWaalsContact CD1-CB 3.47Å; L100-F148 HydrophobicContact CD1-CD1 3.55Å; L100-F148 HydrophobicContact CD1-CG 3.8Å; L100-F148 HydrophobicContact CD2-CD1 4.26Å; L100-V156 HydrophobicContact CB-CG1 4.34Å; L100-V156 HydrophobicContact CB-CG2 3.43Å; L100-V156 VanDerWaalsContact CB-CG2 3.43Å; L100-V156 HydrophobicContact CD1-CG1 4Å; L100-V160 HydrophobicContact CD1-CG2 4.39Å; L100-V160 HydrophobicContact CD2-CG2 4.28Å
101E98.7Very high98.2Very high27 Ų2756.2 Ų56.213%0.12628%0.276CS..Hα-helixtrans-56.7-41.4174178.8177.9-130.400111N74 C78 V97 T104 F155 V156 L159N74-E101 HydrophobicContact CB-CG 4.3Å; N74-E101 VanDerWaalsContact CB-OE1 3.29Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 WeakPolarHBondContact ND2-CG 3.43Å; C78-E101 PolarHBondContact SG-OE1 3.26Å; V97-E101 WeakPolarHBondContact O-CB 3.43Å; V97-E101 PolarHBondContact O-N 3.22Å; E101-T104 PolarHBondContact O-OG1 2.88Å; E101-T104 VanDerWaalsContact O-OG1 3.12Å; E101-F155 HydrophobicContact CG-CE2 4.3Å; E101-F155 WeakPolarHBondContact OE1-CE2 3.43Å; E101-V156 HydrophobicContact CB-CG2 4.4Å; E101-L159 HydrophobicContact CB-CD1 4.39Å; E101-L159 HydrophobicContact CG-CD1 4.14Å
102N98.7Very high98.2Very high97 Ų9751.1 Ų51.152%0.51925%0.254SS..Hα-helixtrans-79.5-43.8178.2-70.1-83.1000111.9D98 I99 L100 T104 M105 D106D98-N102 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-ND2 3.27Å; I99-N102 PolarHBondContact O-N 3.35Å; L100-N102 PolarHBondContact O-N 2.9Å; N102-T104 VanDerWaalsContact C-N 3.3Å; N102-T104 PolarHBondContact O-N 3.08Å; N102-M105 WeakPolarHBondContact O-CB 3.28Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-M105 VanDerWaalsContact O-N 3.13Å; N102-D106 PolarHBondContact O-N 2.95Å
103Q98.6Very high98.1Very high73 Ų7351.1 Ų51.134%0.34126%0.256SS..Hα-helixtrans-62.2-37-179-174.158.571.600112.8I99 L100 D106 N107 Y138I99-Q103 VanDerWaalsContact O-CB 3.26Å; I99-Q103 WeakPolarHBondContact O-CB 3.26Å; I99-Q103 PolarHBondContact O-N 2.68Å; L100-Q103 PolarHBondContact O-N 3.4Å; Q103-D106 PolarHBondContact O-N 2.87Å; Q103-N107 PolarHBondContact NE2-ND2 2.69Å; Q103-N107 PolarHBondContact NE2-OD1 3.13Å; Q103-N107 PolarHBondContact O-N 2.89Å; Q103-N107 PolarHBondContact O-OD1 2.88Å; Q103-Y138 PolarHBondContact O-OH 3.29Å
104T98.4Very high98.1Very high3 Ų350.8 Ų50.82%0.01826%0.255CS..Hα-helixtrans-67.6-39.217651.80000111.6L100 E101 N102 N107 H108 Y138 L159 V160 V163L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.34Å; L100-T104 PolarHBondContact O-OG1 3.16Å; E101-T104 PolarHBondContact O-OG1 2.88Å; E101-T104 VanDerWaalsContact O-OG1 3.12Å; N102-T104 VanDerWaalsContact C-N 3.3Å; N102-T104 PolarHBondContact O-N 3.08Å; T104-N107 PolarHBondContact O-N 2.81Å; T104-H108 WeakPolarHBondContact O-CB 3.21Å; T104-H108 PolarHBondContact O-N 2.96Å; T104-Y138 HydrophobicContact CG2-CE1 4.12Å; T104-L159 HydrophobicContact CG2-CB 4.2Å; T104-V160 HydrophobicContact CG2-CB 4.35Å; T104-V160 HydrophobicContact CG2-CG2 3.6Å; T104-V163 HydrophobicContact CG2-CG2 4.17Å
105M98.1Very high98Very high50 Ų5046.7 Ų46.725%0.24624%0.237CC..Hα-helixtrans-62.4-45.3174.3-174.758.165.100111.4N102 N107 H108 M109N102-M105 WeakPolarHBondContact O-CB 3.28Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-M105 VanDerWaalsContact O-N 3.13Å; M105-N107 VanDerWaalsContact C-N 3.33Å; M105-N107 PolarHBondContact O-N 2.93Å; M105-H108 PolarHBondContact O-N 3.49Å; M105-M109 HydrophobicContact CG-CG 4.26Å; M105-M109 WeakPolarHBondContact O-CB 3.06Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.34Å; M105-M109 PolarHBondContact O-N 3.43Å; M105-M109 HydrophobicContact SD-CG 3.92Å; M105-M109 HydrophobicContact SD-SD 4.35Å
106D98.2Very high98Very high102 Ų10247 Ų4755%0.54523%0.234SC..Hα-helixtrans-57.3-45.2177.6-76.3-17.8000112N102 Q103 Q110N102-D106 PolarHBondContact O-N 2.95Å; Q103-D106 PolarHBondContact O-N 2.87Å; D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 3.28Å
107N97.3Very high98Very high10 Ų1048 Ų485%0.05324%0.241CC..Hα-helixtrans-72.9-37.3179.6-61.6152000112.9Q103 T104 M105 M109 Q110 L111 Y138 V163Q103-N107 PolarHBondContact NE2-ND2 2.69Å; Q103-N107 PolarHBondContact NE2-OD1 3.13Å; Q103-N107 PolarHBondContact O-N 2.89Å; Q103-N107 PolarHBondContact O-OD1 2.88Å; T104-N107 PolarHBondContact O-N 2.81Å; M105-N107 VanDerWaalsContact C-N 3.33Å; M105-N107 PolarHBondContact O-N 2.93Å; N107-M109 VanDerWaalsContact C-N 3.33Å; N107-Q110 PolarHBondContact O-N 3.38Å; N107-L111 PolarHBondContact O-N 2.77Å; N107-L111 VanDerWaalsContact O-N 3.1Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.46Å; N107-Y138 VanDerWaalsContact OD1-CZ 3.31Å; N107-Y138 PolarHBondContact OD1-OH 3.49Å; N107-V163 HydrophobicContact CB-CG1 4.19Å
108H95.3Very high97.9Very high17 Ų1753.5 Ų53.58%0.07928%0.277CS..Hα-helixtrans-59.9-46.4173.5-172.3103.2000110.7L13 T104 M105 L111 G112 V163L13-H108 WeakPolarHBondContact CD2-NE2 3.46Å; T104-H108 WeakPolarHBondContact O-CB 3.21Å; T104-H108 PolarHBondContact O-N 2.96Å; M105-H108 PolarHBondContact O-N 3.49Å; H108-L111 PolarHBondContact O-N 3.18Å; H108-G112 PolarHBondContact O-N 3.36Å; H108-V163 HydrophobicContact CB-CG2 4.38Å
109M96.4Very high97.9Very high90 Ų9053.9 Ų53.944%0.44328%0.276SS..Hα-helixtrans-65.2-40.3178.6-70.1-58.8-65.600111.9M105 N107 G112 M113M105-M109 HydrophobicContact CG-CG 4.26Å; M105-M109 WeakPolarHBondContact O-CB 3.06Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.34Å; M105-M109 PolarHBondContact O-N 3.43Å; M105-M109 HydrophobicContact SD-CG 3.92Å; M105-M109 HydrophobicContact SD-SD 4.35Å; N107-M109 VanDerWaalsContact C-N 3.33Å; M109-G112 PolarHBondContact O-N 3.26Å; M109-M113 VanDerWaalsContact O-CG 3.32Å; M109-M113 WeakPolarHBondContact O-CG 3.5Å; M109-M113 PolarHBondContact O-N 2.87Å
110Q97.2Very high97.9Very high52 Ų5250 Ų5024%0.24326%0.256CS..Hα-helixtrans-60.6-47.3177.4-167-173.50.400111.9D106 N107 M113 I114 Y127D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 3.28Å; N107-Q110 PolarHBondContact O-N 3.38Å; Q110-M113 PolarHBondContact O-N 2.87Å; Q110-I114 PolarHBondContact O-N 3.44Å; Q110-Y127 HydrophobicContact CB-CE2 4.48Å; Q110-Y127 HydrophobicContact CG-CD2 4.49Å; Q110-Y127 HydrophobicContact CG-CE2 3.88Å
111L97.6Very high97.8Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-64.7-43.5176.4-177.755.1000111.3N107 H108 M113 I114 C115 Y127 L166 F170 F209N107-L111 PolarHBondContact O-N 2.77Å; N107-L111 VanDerWaalsContact O-N 3.1Å; H108-L111 PolarHBondContact O-N 3.18Å; L111-M113 PolarHBondContact O-N 2.95Å; L111-I114 PolarHBondContact O-N 3.1Å; L111-I114 VanDerWaalsContact O-N 3.15Å; L111-C115 PolarHBondContact O-N 2.9Å; L111-C115 PolarHBondContact O-SG 3.3Å; L111-C115 VanDerWaalsContact O-SG 3.37Å; L111-Y127 HydrophobicContact CD1-CD1 4.41Å; L111-Y127 HydrophobicContact CD1-CE1 3.78Å; L111-L166 HydrophobicContact CD2-CD1 4.13Å; L111-L166 HydrophobicContact CD2-CD2 3.7Å; L111-L166 HydrophobicContact CD2-CG 3.51Å; L111-F170 HydrophobicContact CD1-CD1 4.14Å; L111-F170 HydrophobicContact CD1-CD2 3.98Å; L111-F170 HydrophobicContact CD1-CE1 4.19Å; L111-F170 HydrophobicContact CD1-CE2 4.04Å; L111-F170 HydrophobicContact CD1-CG 4.02Å; L111-F170 HydrophobicContact CD1-CZ 4.14Å; L111-F209 HydrophobicContact CG-CZ 4.49Å
112G97.5Very high97.8Very high11 Ų1162.4 Ų62.411%0.11331%0.312CS..Hα-helixtrans-54.4-49.1174.800000112.2H108 M109 I114 C115 Y116H108-G112 PolarHBondContact O-N 3.36Å; M109-G112 PolarHBondContact O-N 3.26Å; G112-I114 PolarHBondContact O-N 3.34Å; G112-C115 PolarHBondContact O-N 3.34Å; G112-Y116 VanDerWaalsContact O-CD2 3.29Å; G112-Y116 WeakPolarHBondContact O-CD2 3.34Å; G112-Y116 PolarHBondContact O-N 3.42Å
113M97.6Very high97.8Very high131 Ų13160.7 Ų60.765%0.64530%0.302SS*.Hα-helixtrans-54.8-38.6178.4-76.4-178.8-173.500112.5M109 Q110 L111 N117M109-M113 VanDerWaalsContact O-CG 3.32Å; M109-M113 WeakPolarHBondContact O-CG 3.5Å; M109-M113 PolarHBondContact O-N 2.87Å; Q110-M113 PolarHBondContact O-N 2.87Å; L111-M113 PolarHBondContact O-N 2.95Å; M113-N117 WeakPolarHBondContact O-CB 3.39Å; M113-N117 PolarHBondContact O-N 2.73Å
114I97.8Very high97.7Very high21 Ų2159.7 Ų59.711%0.10830%0.297CS..Hα-helixtrans-74.6-46.8179.8-65176.2000110.7Q110 L111 G112 Y116 N117 F120 L123 Y127Q110-I114 PolarHBondContact O-N 3.44Å; L111-I114 PolarHBondContact O-N 3.1Å; L111-I114 VanDerWaalsContact O-N 3.15Å; G112-I114 PolarHBondContact O-N 3.34Å; I114-Y116 PolarHBondContact O-N 3.03Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.71Å; I114-F120 HydrophobicContact CG2-CD2 3.81Å; I114-F120 HydrophobicContact CG2-CE2 4.08Å; I114-F120 WeakPolarHBondContact O-CD2 3.38Å; I114-L123 HydrophobicContact CG2-CB 4.18Å; I114-Y127 HydrophobicContact CD1-CD2 3.1Å; I114-Y127 HydrophobicContact CD1-CE2 3.84Å; I114-Y127 HydrophobicContact CD1-CG 3.52Å
115C98.4Very high97.7Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-66.7-22-177.4-67.20000114.1L111 G112 F209 V214 W215L111-C115 PolarHBondContact O-N 2.9Å; L111-C115 PolarHBondContact O-SG 3.3Å; L111-C115 VanDerWaalsContact O-SG 3.37Å; G112-C115 PolarHBondContact O-N 3.34Å; C115-F209 HydrophobicContact CB-CD2 3.71Å; C115-F209 HydrophobicContact CB-CE2 3.48Å; C115-F209 VanDerWaalsContact CB-CE2 3.48Å; C115-F209 HydrophobicContact CB-CZ 4.32Å; C115-V214 PolarHBondContact O-N 3.28Å; C115-W215 HydrophobicContact CB-CB 4.38Å; C115-W215 HydrophobicContact CB-CE3 4.28Å; C115-W215 PolarHBondContact O-N 3.21Å
116Y98.3Very high97.7Very high89 Ų8967.3 Ų67.335%0.34934%0.336SS..THydrogen-bonded Turntrans-93.7-6.4172.7-79.3-89.1000114G112 I114 F209 S210 M212 A213G112-Y116 VanDerWaalsContact O-CD2 3.29Å; G112-Y116 WeakPolarHBondContact O-CD2 3.34Å; G112-Y116 PolarHBondContact O-N 3.42Å; I114-Y116 PolarHBondContact O-N 3.03Å; Y116-F209 HydrophobicContact CE2-CB 3.86Å; Y116-F209 AromaticContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CE1 4.39Å; Y116-F209 AromaticContact CE2-CG 3.82Å; Y116-F209 HydrophobicContact CE2-CG 3.82Å; Y116-S210 VanDerWaalsContact CE1-OG 3.32Å; Y116-S210 WeakPolarHBondContact CE1-OG 3.28Å; Y116-S210 WeakPolarHBondContact OH-CB 3.49Å; Y116-S210 PolarHBondContact OH-N 2.94Å; Y116-S210 PolarHBondContact OH-OG 3.25Å; Y116-M212 HydrophobicContact CD1-CB 4.46Å; Y116-M212 HydrophobicContact CE1-CB 4.14Å; Y116-A213 HydrophobicContact CD1-CB 3.85Å; Y116-A213 HydrophobicContact CD2-CB 4.19Å; Y116-A213 HydrophobicContact CE1-CB 3.72Å; Y116-A213 HydrophobicContact CE2-CB 4.09Å; Y116-A213 HydrophobicContact CG-CB 4.1Å
117N98.3Very high97.7Very high52 Ų5262.6 Ų62.628%0.27831%0.311SS..  trans-79130.1-176.8-165-52.9000111.1M113 I114 E119 F120 L123 V214M113-N117 WeakPolarHBondContact O-CB 3.39Å; M113-N117 PolarHBondContact O-N 2.73Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.71Å; N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.1Å; N117-E119 WeakPolarHBondContact OD1-CB 3.27Å; N117-E119 PolarHBondContact OD1-N 3.44Å; N117-F120 WeakPolarHBondContact O-CB 3.44Å; N117-F120 PolarHBondContact O-N 3.1Å; N117-L123 HydrophobicContact CB-CD1 3.85Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.26Å; N117-V214 WeakPolarHBondContact O-CG2 3.43Å
118P97.9Very high97.8Very high120 Ų12064.4 Ų64.478%0.77932%0.32SS*.THydrogen-bonded Turntrans-55.9-24.4173.5-26.335.5000114.5F120P118-F120 VanDerWaalsContact C-N 3.33Å
119E97.9Very high97.9Very high97 Ų9771 Ų7145%0.45335%0.351SS..THydrogen-bonded Turntrans-93.122.9175-56.2-163.1107.100113.4N117 E121 K122 L123N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.1Å; N117-E119 WeakPolarHBondContact OD1-CB 3.27Å; N117-E119 PolarHBondContact OD1-N 3.44Å; E119-E121 VanDerWaalsContact C-N 3.27Å; E119-E121 PolarHBondContact O-N 2.9Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E119-K122 HydrophobicContact CB-CB 4.48Å; E119-K122 HydrophobicContact CB-CD 4.37Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-K122 IonicContact OE1-NZ 2.73Å; E119-K122 PolarHBondContact OE1-NZ 2.96Å; E119-L123 PolarHBondContact O-N 2.83Å
120F98.3Very high97.9Very high4 Ų470 Ų702%0.01835%0.346CS..Hα-helixtrans-41.3-49.9-179171.2-105.2000113.6I114 N117 P118 K122 L123 K124 F170 V214 W215I114-F120 HydrophobicContact CG2-CD2 3.81Å; I114-F120 HydrophobicContact CG2-CE2 4.08Å; I114-F120 WeakPolarHBondContact O-CD2 3.38Å; N117-F120 WeakPolarHBondContact O-CB 3.44Å; N117-F120 PolarHBondContact O-N 3.1Å; P118-F120 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 3.38Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-L123 VanDerWaalsContact O-N 3.1Å; F120-K124 HydrophobicContact CE1-CD 3.98Å; F120-K124 HydrophobicContact CE2-CB 4.39Å; F120-K124 HydrophobicContact CE2-CD 4.47Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.71Å; F120-K124 HydrophobicContact CZ-CG 4.37Å; F120-K124 WeakPolarHBondContact O-CB 3.49Å; F120-K124 PolarHBondContact O-N 3Å; F120-F170 AromaticContact CE2-CE2 3.68Å; F120-F170 HydrophobicContact CE2-CE2 3.68Å; F120-F170 AromaticContact CE2-CZ 3.9Å; F120-F170 HydrophobicContact CE2-CZ 3.9Å; F120-F170 AromaticContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CZ 4.05Å; F120-V214 HydrophobicContact CB-CB 4.05Å; F120-V214 HydrophobicContact CB-CG1 3.72Å; F120-V214 HydrophobicContact CD1-CG1 4.16Å; F120-V214 HydrophobicContact CG-CB 4.49Å; F120-V214 HydrophobicContact CG-CG1 4.13Å; F120-W215 HydrophobicContact CD1-CB 4.37Å; F120-W215 HydrophobicContact CD2-CB 4.23Å; F120-W215 HydrophobicContact CE1-CB 3.88Å; F120-W215 HydrophobicContact CE1-CG 4.22Å; F120-W215 HydrophobicContact CE2-CB 3.73Å; F120-W215 HydrophobicContact CE2-CG 4.17Å; F120-W215 HydrophobicContact CZ-CB 3.52Å; F120-W215 AromaticContact CZ-CD1 3.74Å; F120-W215 AromaticContact CZ-CG 3.67Å; F120-W215 HydrophobicContact CZ-CG 3.67Å
121E98Very high98Very high136 Ų13667.7 Ų67.764%0.63634%0.335SS*.Hα-helixtrans-63.9-27-177.7-65.6-59.215500113.5E119 P125E119-E121 VanDerWaalsContact C-N 3.27Å; E119-E121 PolarHBondContact O-N 2.9Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E121-P125 WeakPolarHBondContact O-CD 3.38Å
122K98.2Very high98Very high156 Ų15670.7 Ų70.768%0.67835%0.354SS*.Hα-helixtrans-80.7-32.2174.9-60.6-177.4-172168.50112.3E119 F120E119-K122 HydrophobicContact CB-CB 4.48Å; E119-K122 HydrophobicContact CB-CD 4.37Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-K122 IonicContact OE1-NZ 2.73Å; E119-K122 PolarHBondContact OE1-NZ 2.96Å; F120-K122 PolarHBondContact O-N 3.38Å
123L98.1Very high98.1Very high61 Ų6175.8 Ų75.832%0.31938%0.375SS..Hα-helixtrans-86.1-30.7-175.9-63.9175.9000112.9I114 N117 E119 F120 K126 Y127I114-L123 HydrophobicContact CG2-CB 4.18Å; N117-L123 HydrophobicContact CB-CD1 3.85Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.26Å; E119-L123 PolarHBondContact O-N 2.83Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-L123 VanDerWaalsContact O-N 3.1Å; L123-K126 PolarHBondContact O-N 3.15Å; L123-Y127 PolarHBondContact O-N 3.43Å
124K98.1Very high98.1Very high52 Ų5271.5 Ų71.523%0.22635%0.353CS..Hα-helixtrans-54-45.7-177.4176.9178.2-174.4-179.90113.8F120 K126 Y127 L128 F170F120-K124 HydrophobicContact CE1-CD 3.98Å; F120-K124 HydrophobicContact CE2-CB 4.39Å; F120-K124 HydrophobicContact CE2-CD 4.47Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.71Å; F120-K124 HydrophobicContact CZ-CG 4.37Å; F120-K124 WeakPolarHBondContact O-CB 3.49Å; F120-K124 PolarHBondContact O-N 3Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K124-Y127 PolarHBondContact O-N 3.26Å; K124-L128 HydrophobicContact CD-CD1 4.48Å; K124-L128 HydrophobicContact CG-CD1 3.95Å; K124-L128 HydrophobicContact CG-CG 4.2Å; K124-L128 WeakPolarHBondContact O-CG 3.48Å; K124-L128 PolarHBondContact O-N 3.42Å; K124-F170 HydrophobicContact CD-CZ 4.17Å; K124-F170 HydrophobicContact CG-CE1 4.35Å; K124-F170 HydrophobicContact CG-CZ 3.91Å
125P98.4Very high98.1Very high80 Ų8070.6 Ų70.652%0.51935%0.348SS..Hα-helixtrans-57.9-45.9-178.6-26.736000113.2E121 Y127 L128 E129E121-P125 WeakPolarHBondContact O-CD 3.38Å; P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 2.84Å; P125-L128 PolarHBondContact O-N 3.24Å; P125-E129 PolarHBondContact O-N 3.2Å
126K97.8Very high98.1Very high133 Ų13374.4 Ų74.458%0.57837%0.365SS*.Hα-helixtrans-63.2-40177.6-175.7178.9176.8-177.60111.7L123 K124 L128 E129 E130L123-K126 PolarHBondContact O-N 3.15Å; K124-K126 PolarHBondContact O-N 3.47Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 PolarHBondContact O-N 3.36Å; K126-E129 WeakPolarHBondContact O-CB 3.48Å; K126-E129 PolarHBondContact O-N 3.03Å; K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 IonicContact NZ-OE1 3.92Å; K126-E130 PolarHBondContact O-N 2.98Å; K126-E130 VanDerWaalsContact O-N 3.17Å
127Y98.1Very high98.1Very high3 Ų375.2 Ų75.21%0.01237%0.374CS..Hα-helixtrans-62.1-43.1176.2-170.7-98.7000112.5Q110 L111 I114 L123 K124 P125 E129 E130 L131 H167 F170Q110-Y127 HydrophobicContact CB-CE2 4.48Å; Q110-Y127 HydrophobicContact CG-CD2 4.49Å; Q110-Y127 HydrophobicContact CG-CE2 3.88Å; L111-Y127 HydrophobicContact CD1-CD1 4.41Å; L111-Y127 HydrophobicContact CD1-CE1 3.78Å; I114-Y127 HydrophobicContact CD1-CD2 3.1Å; I114-Y127 HydrophobicContact CD1-CE2 3.84Å; I114-Y127 HydrophobicContact CD1-CG 3.52Å; L123-Y127 PolarHBondContact O-N 3.43Å; K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K124-Y127 PolarHBondContact O-N 3.26Å; P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 2.84Å; Y127-E129 VanDerWaalsContact C-N 3.3Å; Y127-E129 PolarHBondContact O-N 2.91Å; Y127-E130 PolarHBondContact O-N 3.41Å; Y127-L131 HydrophobicContact CE1-CD1 4.43Å; Y127-L131 WeakPolarHBondContact O-CB 3.43Å; Y127-L131 PolarHBondContact O-N 2.87Å; Y127-H167 AromaticContact CE1-NE2 3.95Å; Y127-H167 AromaticContact CZ-NE2 3.69Å; Y127-H167 PolarHBondContact OH-NE2 3.04Å; Y127-F170 HydrophobicContact CD1-CD1 4.27Å; Y127-F170 AromaticContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CE1-CD1 4.29Å; Y127-F170 HydrophobicContact CE1-CE1 4.15Å
128L98.2Very high98.2Very high47 Ų4773.1 Ų73.125%0.24636%0.363CS..Hα-helixtrans-67.3-31178.3-68.6179.9000112.5K124 P125 K126 L131 P132 F170 E171K124-L128 HydrophobicContact CD-CD1 4.48Å; K124-L128 HydrophobicContact CG-CD1 3.95Å; K124-L128 HydrophobicContact CG-CG 4.2Å; K124-L128 WeakPolarHBondContact O-CG 3.48Å; K124-L128 PolarHBondContact O-N 3.42Å; P125-L128 PolarHBondContact O-N 3.24Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 PolarHBondContact O-N 3.36Å; L128-L131 HydrophobicContact CD2-CD2 4.22Å; L128-P132 WeakPolarHBondContact O-CD 3.35Å; L128-F170 HydrophobicContact CD2-CD1 3.88Å; L128-F170 HydrophobicContact CD2-CE1 3.65Å; L128-F170 HydrophobicContact CG-CE1 4.26Å; L128-E171 HydrophobicContact CD2-CB 3.76Å; L128-E171 HydrophobicContact CD2-CG 4.03Å
129E98Very high98.2Very high156 Ų15668.3 Ų68.373%0.72933%0.332SS*.Hα-helixtrans-64.8-41.3172.4-174.6-176.7177.800112.1P125 K126 Y127 P132P125-E129 PolarHBondContact O-N 3.2Å; K126-E129 WeakPolarHBondContact O-CB 3.48Å; K126-E129 PolarHBondContact O-N 3.03Å; Y127-E129 VanDerWaalsContact C-N 3.3Å; Y127-E129 PolarHBondContact O-N 2.91Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å
130E97.6Very high98.3Very high70 Ų7069.4 Ų69.433%0.32734%0.337SS..Hα-helixtrans-81.3-19.5-179.6-66.8176.2-17400113.7K126 Y127 E133 K134K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 IonicContact NZ-OE1 3.92Å; K126-E130 PolarHBondContact O-N 2.98Å; K126-E130 VanDerWaalsContact O-N 3.17Å; Y127-E130 PolarHBondContact O-N 3.41Å; E130-E133 PolarHBondContact O-N 3.48Å; E130-K134 PolarHBondContact O-N 3.13Å
131L98.2Very high98.3Very high3 Ų371.9 Ų71.92%0.01635%0.348CS..Hα-helixtrans-58.2-43.6-172.817958.7000113.8Y127 L128 E133 K134 L135 H167 E171 C174Y127-L131 HydrophobicContact CE1-CD1 4.43Å; Y127-L131 WeakPolarHBondContact O-CB 3.43Å; Y127-L131 PolarHBondContact O-N 2.87Å; L128-L131 HydrophobicContact CD2-CD2 4.22Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.28Å; L131-K134 PolarHBondContact O-N 3.33Å; L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.33Å; L131-L135 HydrophobicContact CD1-CG 3.87Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å; L131-H167 HydrophobicContact CD1-CB 4.47Å; L131-H167 WeakPolarHBondContact CD1-CD2 3.35Å; L131-E171 HydrophobicContact CD2-CB 4.18Å; L131-C174 HydrophobicContact CD2-CB 3.67Å; L131-C174 HydrophobicContact CG-CB 4.32Å
132P98.5Very high98.3Very high63 Ų6365.5 Ų65.541%0.40932%0.318SS..Hα-helixtrans-57.3-40.9177.9-26.736.1000113.6L128 E129 K134 L135 K136 F178L128-P132 WeakPolarHBondContact O-CD 3.35Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å; P132-K134 VanDerWaalsContact C-N 3.35Å; P132-K134 PolarHBondContact O-N 2.67Å; P132-L135 PolarHBondContact O-N 3.49Å; P132-K136 WeakPolarHBondContact O-CB 3.38Å; P132-K136 PolarHBondContact O-N 3.26Å; P132-F178 VanDerWaalsContact O-CZ 3.31Å; P132-F178 WeakPolarHBondContact O-CZ 3.34Å
133E97.9Very high98.4Very high117 Ų11759.4 Ų59.455%0.54730%0.3SS..Hα-helixtrans-66.5-37.6178.5-71.5-59.4143.400111.5E130 L131 K136 L137E130-E133 PolarHBondContact O-N 3.48Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.28Å; E133-K136 WeakPolarHBondContact O-CB 3.24Å; E133-K136 PolarHBondContact O-N 3.48Å; E133-K136 IonicContact OE2-NZ 3.21Å; E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.25Å
134K97.7Very high98.4Very high41 Ų4166.8 Ų66.818%0.17833%0.329CS..Hα-helixtrans-62-46.9174-63175.7-169.2-67.80111.4E130 L131 P132 K136 L137 Y138E130-K134 PolarHBondContact O-N 3.13Å; L131-K134 PolarHBondContact O-N 3.33Å; P132-K134 VanDerWaalsContact C-N 3.35Å; P132-K134 PolarHBondContact O-N 2.67Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.37Å; K134-L137 WeakPolarHBondContact O-CB 3.45Å; K134-L137 PolarHBondContact O-N 3.48Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 2.86Å
135L98.7Very high98.4Very high2 Ų269 Ų691%0.0134%0.336CS..Hα-helixtrans-68.1-33.5-179.2-64.7173.9000112.1L131 P132 L137 Y138 S139 L164 C174 L175 F178 L181L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.33Å; L131-L135 HydrophobicContact CD1-CG 3.87Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å; P132-L135 PolarHBondContact O-N 3.49Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.03Å; L135-Y138 PolarHBondContact O-N 3.33Å; L135-S139 PolarHBondContact O-N 2.84Å; L135-L164 HydrophobicContact CD2-CD2 3.65Å; L135-C174 HydrophobicContact CD1-CB 3.65Å; L135-C174 WeakPolarHBondContact CD1-O 3.24Å; L135-L175 HydrophobicContact CD1-CD2 4.07Å; L135-L175 HydrophobicContact CD2-CD2 3.99Å; L135-F178 HydrophobicContact CB-CD2 3.84Å; L135-F178 HydrophobicContact CB-CE2 3.43Å; L135-F178 VanDerWaalsContact CB-CE2 3.43Å; L135-F178 HydrophobicContact CB-CZ 3.96Å; L135-F178 HydrophobicContact CD1-CE2 4.17Å; L135-F178 HydrophobicContact CG-CE2 4.46Å; L135-L181 HydrophobicContact CB-CD1 4.5Å; L135-L181 WeakPolarHBondContact O-CD1 3.36Å
136K98.7Very high98.4Very high80 Ų8066.9 Ų66.935%0.34832%0.322SS..Hα-helixtrans-58.5-41.9172.5-177.8-179.2169.2-168.40111.8P132 E133 K134 Y138 S139 E140 F178P132-K136 WeakPolarHBondContact O-CB 3.38Å; P132-K136 PolarHBondContact O-N 3.26Å; E133-K136 WeakPolarHBondContact O-CB 3.24Å; E133-K136 PolarHBondContact O-N 3.48Å; E133-K136 IonicContact OE2-NZ 3.21Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.37Å; K136-Y138 PolarHBondContact O-N 3.23Å; K136-S139 WeakPolarHBondContact O-CB 3.31Å; K136-S139 PolarHBondContact O-N 3.21Å; K136-S139 VanDerWaalsContact O-N 3.16Å; K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 2.8Å; K136-F178 HydrophobicContact CB-CE1 3.74Å; K136-F178 HydrophobicContact CB-CZ 4.08Å; K136-F178 HydrophobicContact CG-CE1 4.35Å
137L98.8Very high98.5Very high106 Ų10661.7 Ų61.756%0.55530%0.299SS*.Hα-helixtrans-60.2-43.1176.6-62.9174.5000112.1E133 K134 L135 F141E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.25Å; K134-L137 WeakPolarHBondContact O-CB 3.45Å; K134-L137 PolarHBondContact O-N 3.48Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.03Å; L137-F141 VanDerWaalsContact O-CB 3.23Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å
138Y98.9Very high98.5Very high8 Ų861.6 Ų61.63%0.03130%0.299CS..Hα-helixtrans-63.7-42.8173.5-74.6-80.8000112.3L100 Q103 T104 N107 K134 L135 K136 F141 L142 F148 V160 L164L100-Y138 HydrophobicContact CD2-CD1 4.16Å; L100-Y138 HydrophobicContact CD2-CE1 3.96Å; Q103-Y138 PolarHBondContact O-OH 3.29Å; T104-Y138 HydrophobicContact CG2-CE1 4.12Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.46Å; N107-Y138 VanDerWaalsContact OD1-CZ 3.31Å; N107-Y138 PolarHBondContact OD1-OH 3.49Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 2.86Å; L135-Y138 PolarHBondContact O-N 3.33Å; K136-Y138 PolarHBondContact O-N 3.23Å; Y138-F141 PolarHBondContact O-N 3.24Å; Y138-L142 WeakPolarHBondContact O-CB 3.15Å; Y138-L142 PolarHBondContact O-N 3.03Å; Y138-F148 HydrophobicContact CD1-CE1 4.17Å; Y138-F148 HydrophobicContact CD1-CZ 4.48Å; Y138-V160 HydrophobicContact CD1-CG1 4.04Å; Y138-V160 HydrophobicContact CE1-CG1 4.24Å; Y138-V160 HydrophobicContact CE1-CG2 4.35Å; Y138-L164 HydrophobicContact CG-CD2 4.49Å
139S98.9Very high98.5Very high19 Ų1959.5 Ų59.513%0.13329%0.288CS..Hα-helixtrans-60.6-48179.3178.60000111.2L135 K136 G143 N180L135-S139 PolarHBondContact O-N 2.84Å; K136-S139 WeakPolarHBondContact O-CB 3.31Å; K136-S139 PolarHBondContact O-N 3.21Å; K136-S139 VanDerWaalsContact O-N 3.16Å; S139-G143 PolarHBondContact O-N 3Å; S139-N180 PolarHBondContact O-ND2 3Å; S139-N180 VanDerWaalsContact OG-CG 3.27Å; S139-N180 PolarHBondContact OG-ND2 2.98Å; S139-N180 VanDerWaalsContact OG-ND2 3.08Å; S139-N180 PolarHBondContact OG-OD1 3.28Å
140E98.8Very high98.6Very high120 Ų12052.5 Ų52.556%0.56126%0.258SS*.Hα-helixtrans-64.9-41.7176.9-70.4176.4172.900111.5K136 G143K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 2.8Å; E140-G143 PolarHBondContact O-N 3.1Å
141F98.8Very high98.6Very high56 Ų5655.6 Ų55.625%0.24628%0.277CS..Hα-helixtrans-64.2-42.9179.3-166-93.9000112.4R96 L100 L137 Y138 R145 F148R96-F141 HydrophobicContact CB-CE1 4.07Å; R96-F141 HydrophobicContact CB-CZ 3.94Å; R96-F141 HydrophobicContact CG-CE1 4.15Å; R96-F141 HydrophobicContact CG-CZ 3.76Å; R96-F141 VanDerWaalsContact CZ-CE1 3.48Å; R96-F141 PolarHBondContact NH1-O 3.22Å; R96-F141 PolarHBondContact NH2-O 3.47Å; L100-F141 HydrophobicContact CD1-CD1 3.87Å; L100-F141 HydrophobicContact CD1-CE1 3.46Å; L100-F141 VanDerWaalsContact CD1-CE1 3.46Å; L100-F141 HydrophobicContact CD1-CZ 4.46Å; L100-F141 HydrophobicContact CD2-CD1 3.98Å; L100-F141 HydrophobicContact CD2-CE1 4.08Å; L100-F141 HydrophobicContact CG-CD1 4.07Å; L100-F141 HydrophobicContact CG-CE1 3.66Å; L100-F141 HydrophobicContact CG-CZ 4.31Å; L137-F141 VanDerWaalsContact O-CB 3.23Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å; Y138-F141 PolarHBondContact O-N 3.24Å; F141-R145 PolarHBondContact O-NH1 3.46Å; F141-F148 HydrophobicContact CD1-CD1 4.14Å
142L98.9Very high98.6Very high3 Ų360.7 Ų60.72%0.01630%0.299CS..Hα-helixtrans-64-49.2174.5-178.262.7000110.8Y138 K144 R145 F148 N180 L181 F184Y138-L142 WeakPolarHBondContact O-CB 3.15Å; Y138-L142 PolarHBondContact O-N 3.03Å; L142-K144 PolarHBondContact O-N 3.01Å; L142-R145 HydrophobicContact CD1-CB 4.39Å; L142-R145 WeakPolarHBondContact O-CB 3.34Å; L142-R145 PolarHBondContact O-N 3.42Å; L142-R145 PolarHBondContact O-NH1 2.77Å; L142-F148 HydrophobicContact CB-CD1 4.22Å; L142-F148 HydrophobicContact CB-CE1 3.7Å; L142-F148 HydrophobicContact CB-CZ 3.94Å; L142-F148 HydrophobicContact CD1-CD1 4.15Å; L142-F148 HydrophobicContact CD1-CD2 4.05Å; L142-F148 HydrophobicContact CD1-CE1 4.22Å; L142-F148 HydrophobicContact CD1-CE2 4.07Å; L142-F148 HydrophobicContact CD1-CG 4.08Å; L142-F148 HydrophobicContact CD1-CZ 4.16Å; L142-F148 HydrophobicContact CD2-CE2 4.31Å; L142-F148 HydrophobicContact CD2-CZ 4.11Å; L142-F148 HydrophobicContact CG-CE1 4.41Å; L142-F148 HydrophobicContact CG-CZ 4.29Å; L142-N180 HydrophobicContact CD2-CB 4.43Å; L142-L181 HydrophobicContact CD2-CD2 4.01Å; L142-F184 HydrophobicContact CD2-CB 3.88Å; L142-F184 HydrophobicContact CD2-CG 4.43Å
143G98.6Very high98.6Very high28 Ų2858.4 Ų58.429%0.28928%0.283SS..THydrogen-bonded Turntrans60.6-121.4-176.800000111.4S139 E140 N180S139-G143 PolarHBondContact O-N 3Å; E140-G143 PolarHBondContact O-N 3.1Å; G143-N180 PolarHBondContact O-ND2 2.89Å
144K98.6Very high98.7Very high215 Ų21553.1 Ų53.194%0.93526%0.258SS*.THydrogen-bonded Turntrans-100.12-179.8-63.6-177.6179.5179.80114L142L142-K144 PolarHBondContact O-N 3.01Å
145R98.7Very high98.7Very high100 Ų10051.3 Ų51.338%0.37725%0.251SS..  trans-71.1147.6-177.8-61.3173.1-169.583.2-1.8109.9R96 F141 L142 W147R96-R145 VanDerWaalsContact CZ-CZ 3.46Å; F141-R145 PolarHBondContact O-NH1 3.46Å; L142-R145 HydrophobicContact CD1-CB 4.39Å; L142-R145 WeakPolarHBondContact O-CB 3.34Å; L142-R145 PolarHBondContact O-N 3.42Å; L142-R145 PolarHBondContact O-NH1 2.77Å; R145-W147 VanDerWaalsContact C-N 3.31Å; R145-W147 WeakPolarHBondContact CB-O 3.33Å
146P98.7Very high98.7Very high35 Ų3551.2 Ų51.223%0.22725%0.25CS..SBendtrans-70.2-31.4173.829-34.6000112.3G150 R187P146-G150 WeakPolarHBondContact CD-O 3.39Å; P146-R187 PolarHBondContact O-NE 3.01Å
147W98.9Very high98.8Very high24 Ų2447.4 Ų47.49%0.09123%0.234CC..SBendtrans-133160.4-178.5-55.6110.7000110.3R145 A149 G150 K152 I153 D157 F184 R187 F188 L191R145-W147 VanDerWaalsContact C-N 3.31Å; R145-W147 WeakPolarHBondContact CB-O 3.33Å; W147-A149 PolarHBondContact O-N 3.3Å; W147-G150 PolarHBondContact N-O 2.64Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.09Å; W147-K152 WeakPolarHBondContact CB-O 3.29Å; W147-K152 VanDerWaalsContact CD1-C 3.44Å; W147-I153 HydrophobicContact CD2-CB 3.81Å; W147-I153 HydrophobicContact CD2-CD1 4.41Å; W147-I153 HydrophobicContact CD2-CG1 3.99Å; W147-I153 HydrophobicContact CE3-CB 4.26Å; W147-I153 HydrophobicContact CE3-CD1 4.07Å; W147-I153 HydrophobicContact CE3-CG1 3.9Å; W147-I153 HydrophobicContact CG-CB 4.03Å; W147-I153 HydrophobicContact CH2-CD1 3.93Å; W147-I153 HydrophobicContact CZ2-CB 4.39Å; W147-I153 HydrophobicContact CZ2-CD1 4.25Å; W147-I153 HydrophobicContact CZ3-CD1 3.84Å; W147-I153 HydrophobicContact CZ3-CG1 4.2Å; W147-D157 WeakPolarHBondContact CA-OD1 3.43Å; W147-D157 WeakPolarHBondContact CB-OD1 3.48Å; W147-D157 HydrophobicContact CE3-CB 4.12Å; W147-F184 HydrophobicContact CE3-CD2 4.33Å; W147-F184 AromaticContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CZ3-CD2 4.48Å; W147-F184 HydrophobicContact CZ3-CE2 4.14Å; W147-R187 HydrophobicContact CH2-CB 4.44Å; W147-R187 HydrophobicContact CH2-CG 3.75Å; W147-R187 HydrophobicContact CZ2-CG 3.91Å; W147-R187 HydrophobicContact CZ3-CG 4.48Å; W147-F188 HydrophobicContact CZ3-CB 4.33Å; W147-F188 HydrophobicContact CZ3-CD2 4.16Å; W147-L191 HydrophobicContact CH2-CD1 3.86Å; W147-L191 HydrophobicContact CH2-CD2 4.06Å; W147-L191 HydrophobicContact CH2-CG 4.14Å; W147-L191 HydrophobicContact CZ2-CD2 4.07Å
148F98.9Very high98.8Very high0 Ų042.4 Ų42.40%021%0.207CC..SBendtrans-69.8-35.4-169.9-88.4-84000113.6R96 L100 Y138 F141 L142 V156 D157 V160 L181 F184R96-F148 PolarHBondContact NE-O 3.32Å; R96-F148 PolarHBondContact NH2-O 3.23Å; L100-F148 HydrophobicContact CD1-CB 3.47Å; L100-F148 VanDerWaalsContact CD1-CB 3.47Å; L100-F148 HydrophobicContact CD1-CD1 3.55Å; L100-F148 HydrophobicContact CD1-CG 3.8Å; L100-F148 HydrophobicContact CD2-CD1 4.26Å; Y138-F148 HydrophobicContact CD1-CE1 4.17Å; Y138-F148 HydrophobicContact CD1-CZ 4.48Å; F141-F148 HydrophobicContact CD1-CD1 4.14Å; L142-F148 HydrophobicContact CB-CD1 4.22Å; L142-F148 HydrophobicContact CB-CE1 3.7Å; L142-F148 HydrophobicContact CB-CZ 3.94Å; L142-F148 HydrophobicContact CD1-CD1 4.15Å; L142-F148 HydrophobicContact CD1-CD2 4.05Å; L142-F148 HydrophobicContact CD1-CE1 4.22Å; L142-F148 HydrophobicContact CD1-CE2 4.07Å; L142-F148 HydrophobicContact CD1-CG 4.08Å; L142-F148 HydrophobicContact CD1-CZ 4.16Å; L142-F148 HydrophobicContact CD2-CE2 4.31Å; L142-F148 HydrophobicContact CD2-CZ 4.11Å; L142-F148 HydrophobicContact CG-CE1 4.41Å; L142-F148 HydrophobicContact CG-CZ 4.29Å; F148-V156 HydrophobicContact CB-CG1 4.08Å; F148-D157 WeakPolarHBondContact CB-OD1 3.47Å; F148-D157 PolarHBondContact N-OD1 2.93Å; F148-V160 HydrophobicContact CD1-CG2 4.41Å; F148-V160 HydrophobicContact CD2-CB 3.95Å; F148-V160 HydrophobicContact CD2-CG1 3.84Å; F148-V160 HydrophobicContact CD2-CG2 4.09Å; F148-V160 HydrophobicContact CE1-CG1 4.03Å; F148-V160 HydrophobicContact CE2-CB 3.86Å; F148-V160 HydrophobicContact CE2-CG1 3.24Å; F148-V160 HydrophobicContact CE2-CG2 4.31Å; F148-V160 HydrophobicContact CG-CG1 4.48Å; F148-V160 HydrophobicContact CG-CG2 4.16Å; F148-V160 HydrophobicContact CZ-CB 4.33Å; F148-V160 HydrophobicContact CZ-CG1 3.35Å; F148-L181 HydrophobicContact CZ-CD2 4.09Å; F148-F184 AromaticContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CE1 4.46Å; F148-F184 AromaticContact CD2-CE2 3.51Å; F148-F184 HydrophobicContact CD2-CE2 3.51Å; F148-F184 AromaticContact CD2-CZ 3.8Å; F148-F184 HydrophobicContact CD2-CZ 3.8Å; F148-F184 AromaticContact CE2-CD1 3.93Å; F148-F184 HydrophobicContact CE2-CD1 3.93Å; F148-F184 AromaticContact CE2-CD2 3.66Å; F148-F184 HydrophobicContact CE2-CD2 3.66Å; F148-F184 AromaticContact CE2-CE1 3.81Å; F148-F184 HydrophobicContact CE2-CE1 3.81Å; F148-F184 AromaticContact CE2-CE2 3.53Å; F148-F184 HydrophobicContact CE2-CE2 3.53Å; F148-F184 AromaticContact CE2-CG 3.86Å; F148-F184 HydrophobicContact CE2-CG 3.86Å; F148-F184 AromaticContact CE2-CZ 3.61Å; F148-F184 HydrophobicContact CE2-CZ 3.61Å
149A98.7Very high98.8Very high3 Ų342.7 Ų42.73%0.02521%0.21CC..SBendtrans-75.6-36.7174.800000112.1E93 R96 V97 W147 T154E93-A149 HydrophobicContact CB-CB 4.34Å; R96-A149 WeakPolarHBondContact CD-O 3.3Å; R96-A149 PolarHBondContact NE-O 2.71Å; V97-A149 HydrophobicContact CG2-CB 3.89Å; W147-A149 PolarHBondContact O-N 3.3Å; A149-T154 HydrophobicContact CB-CG2 3.62Å
150G98.5Very high98.8Very high9 Ų941.8 Ų41.89%0.09320%0.203CC..SBendtrans172.1-134.6-172.200000113.2P146 W147P146-G150 WeakPolarHBondContact CD-O 3.39Å; W147-G150 PolarHBondContact N-O 2.64Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.09Å
151N98.4Very high98.8Very high135 Ų13536.2 Ų36.272%0.72218%0.177SC*.SBendtrans-85.5-17.3179.6-68.3-39.5000113.3
152K98.5Very high98.8Very high110 Ų11034 Ų3448%0.47817%0.167SC..SBendtrans-108.4145.7178.1-66.9176.2177.5173.90110E89 W147E89-K152 IonicContact OE1-NZ 2.68Å; E89-K152 PolarHBondContact OE1-NZ 3.02Å; E89-K152 IonicContact OE2-NZ 2.71Å; E89-K152 PolarHBondContact OE2-NZ 2.82Å; W147-K152 WeakPolarHBondContact CB-O 3.29Å; W147-K152 VanDerWaalsContact CD1-C 3.44Å
153I98.8Very high98.7Very high16 Ų1634 Ų348%0.08217%0.168CC..  trans-70.3144.6173.5-167.4172.6000110Y23 L86 W147 D157 F158 F188 L191Y23-I153 HydrophobicContact CE1-CG2 4.13Å; Y23-I153 HydrophobicContact CE2-CD1 4.5Å; Y23-I153 WeakPolarHBondContact OH-CG2 3.44Å; L86-I153 HydrophobicContact CD2-CG2 4.27Å; W147-I153 HydrophobicContact CD2-CB 3.81Å; W147-I153 HydrophobicContact CD2-CD1 4.41Å; W147-I153 HydrophobicContact CD2-CG1 3.99Å; W147-I153 HydrophobicContact CE3-CB 4.26Å; W147-I153 HydrophobicContact CE3-CD1 4.07Å; W147-I153 HydrophobicContact CE3-CG1 3.9Å; W147-I153 HydrophobicContact CG-CB 4.03Å; W147-I153 HydrophobicContact CH2-CD1 3.93Å; W147-I153 HydrophobicContact CZ2-CB 4.39Å; W147-I153 HydrophobicContact CZ2-CD1 4.25Å; W147-I153 HydrophobicContact CZ3-CD1 3.84Å; W147-I153 HydrophobicContact CZ3-CG1 4.2Å; I153-D157 HydrophobicContact CD1-CB 4.41Å; I153-D157 HydrophobicContact CG1-CB 3.84Å; I153-F158 HydrophobicContact CD1-CE2 3.83Å; I153-F158 HydrophobicContact CD1-CZ 4.12Å; I153-F158 HydrophobicContact CG1-CE2 4.12Å; I153-F188 HydrophobicContact CD1-CD2 4.5Å; I153-F188 HydrophobicContact CD1-CE2 4.47Å; I153-L191 HydrophobicContact CD1-CD1 3.64Å
154T98.9Very high98.7Very high5 Ų532.6 Ų32.63%0.03115%0.154CC..  trans-132.2171.8175.760.70000109.7L86 V97 A149 V156 D157 F158L86-T154 CarbonylContact O-C 3.45Å; L86-T154 VanDerWaalsContact O-CA 3.27Å; L86-T154 WeakPolarHBondContact O-CA 3.3Å; L86-T154 VanDerWaalsContact O-CB 3.25Å; L86-T154 WeakPolarHBondContact O-CB 3.21Å; V97-T154 HydrophobicContact CG2-CG2 4.31Å; A149-T154 HydrophobicContact CB-CG2 3.62Å; T154-V156 PolarHBondContact O-N 3.24Å; T154-V156 VanDerWaalsContact O-N 3.14Å; T154-V156 WeakPolarHBondContact OG1-CG1 3.41Å; T154-D157 PolarHBondContact N-OD2 2.88Å; T154-D157 WeakPolarHBondContact O-CB 3.38Å; T154-D157 PolarHBondContact O-N 3.02Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-OD2 2.69Å; T154-F158 WeakPolarHBondContact O-CD2 3.37Å
155F98.9Very high98.7Very high4 Ų422.7 Ų22.72%0.01811%0.111CC..Hα-helixtrans-61.2-24.1178.180.7-89.4000113L20 L77 C78 A81 L86 V97 E101 D157 F158 L159L20-F155 HydrophobicContact CD2-CB 4.04Å; L77-F155 HydrophobicContact CB-CD2 3.79Å; L77-F155 HydrophobicContact CB-CE2 4.34Å; L77-F155 HydrophobicContact CB-CG 4.49Å; C78-F155 VanDerWaalsContact SG-CZ 3.51Å; A81-F155 HydrophobicContact CB-CB 3.69Å; A81-F155 HydrophobicContact CB-CD1 3.65Å; A81-F155 HydrophobicContact CB-CG 3.91Å; L86-F155 WeakPolarHBondContact O-CD1 3.38Å; L86-F155 PolarHBondContact O-N 3.41Å; V97-F155 HydrophobicContact CG1-CD1 4.36Å; V97-F155 HydrophobicContact CG1-CE1 3.4Å; V97-F155 VanDerWaalsContact CG1-CE1 3.4Å; V97-F155 HydrophobicContact CG1-CZ 3.63Å; E101-F155 HydrophobicContact CG-CE2 4.3Å; E101-F155 WeakPolarHBondContact OE1-CE2 3.43Å; F155-D157 PolarHBondContact O-N 2.85Å; F155-F158 WeakPolarHBondContact O-CB 3.07Å; F155-F158 PolarHBondContact O-N 3.45Å; F155-F158 VanDerWaalsContact O-N 3.1Å; F155-L159 HydrophobicContact CD2-CD1 4.2Å; F155-L159 HydrophobicContact CE2-CD1 3.98Å; F155-L159 PolarHBondContact O-N 3.31Å
156V98.8Very high98.7Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-68.3-26.2179.994.10000112.2V97 L100 E101 F148 T154 F158 L159 V160V97-V156 HydrophobicContact CG1-CB 4.5Å; V97-V156 HydrophobicContact CG2-CB 4.47Å; V97-V156 HydrophobicContact CG2-CG1 4.27Å; L100-V156 HydrophobicContact CB-CG1 4.34Å; L100-V156 HydrophobicContact CB-CG2 3.43Å; L100-V156 VanDerWaalsContact CB-CG2 3.43Å; L100-V156 HydrophobicContact CD1-CG1 4Å; E101-V156 HydrophobicContact CB-CG2 4.4Å; F148-V156 HydrophobicContact CB-CG1 4.08Å; T154-V156 PolarHBondContact O-N 3.24Å; T154-V156 VanDerWaalsContact O-N 3.14Å; T154-V156 WeakPolarHBondContact OG1-CG1 3.41Å; V156-F158 PolarHBondContact O-N 3.38Å; V156-L159 HydrophobicContact CG2-CD1 4.32Å; V156-L159 WeakPolarHBondContact O-CB 3.5Å; V156-L159 PolarHBondContact O-N 2.88Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.43Å
157D99Very high98.6Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-64.2-28.8173.8-62.6-76.4000111.6W147 F148 I153 T154 F155 Y161 F184W147-D157 WeakPolarHBondContact CA-OD1 3.43Å; W147-D157 WeakPolarHBondContact CB-OD1 3.48Å; W147-D157 HydrophobicContact CE3-CB 4.12Å; F148-D157 WeakPolarHBondContact CB-OD1 3.47Å; F148-D157 PolarHBondContact N-OD1 2.93Å; I153-D157 HydrophobicContact CD1-CB 4.41Å; I153-D157 HydrophobicContact CG1-CB 3.84Å; T154-D157 PolarHBondContact N-OD2 2.88Å; T154-D157 WeakPolarHBondContact O-CB 3.38Å; T154-D157 PolarHBondContact O-N 3.02Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-OD2 2.69Å; F155-D157 PolarHBondContact O-N 2.85Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 3.37Å; D157-F184 HydrophobicContact CB-CE2 4.18Å; D157-F184 HydrophobicContact CB-CZ 4.3Å; D157-F184 WeakPolarHBondContact O-CZ 3.46Å
158F98.9Very high98.6Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-72.7-37.7175.5-62.8-106.8000111.5A16 L19 L20 Y23 I153 T154 F155 V156 D162 F188 I194A16-F158 HydrophobicContact CB-CB 4.15Å; L19-F158 HydrophobicContact CB-CD1 3.69Å; L19-F158 HydrophobicContact CB-CE1 4.2Å; L19-F158 WeakPolarHBondContact O-CE1 3.4Å; L20-F158 VanDerWaalsContact CA-CE1 3.48Å; L20-F158 HydrophobicContact CB-CD1 3.86Å; L20-F158 HydrophobicContact CB-CE1 4.11Å; L20-F158 HydrophobicContact CB-CG 4.25Å; L20-F158 HydrophobicContact CD1-CD1 4.22Å; L20-F158 HydrophobicContact CD1-CD2 3.91Å; L20-F158 HydrophobicContact CD1-CE1 3.97Å; L20-F158 HydrophobicContact CD1-CE2 3.63Å; L20-F158 HydrophobicContact CD1-CG 4.22Å; L20-F158 HydrophobicContact CD1-CZ 3.68Å; Y23-F158 HydrophobicContact CD1-CE1 4.46Å; Y23-F158 HydrophobicContact CD1-CE2 4.38Å; Y23-F158 AromaticContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD2-CZ 4.16Å; Y23-F158 HydrophobicContact CE1-CZ 4.33Å; Y23-F158 HydrophobicContact CG-CE1 4.03Å; Y23-F158 AromaticContact CG-CZ 3.5Å; Y23-F158 HydrophobicContact CG-CZ 3.5Å; Y23-F158 VanDerWaalsContact CG-CZ 3.5Å; I153-F158 HydrophobicContact CD1-CE2 3.83Å; I153-F158 HydrophobicContact CD1-CZ 4.12Å; I153-F158 HydrophobicContact CG1-CE2 4.12Å; T154-F158 WeakPolarHBondContact O-CD2 3.37Å; F155-F158 WeakPolarHBondContact O-CB 3.07Å; F155-F158 PolarHBondContact O-N 3.45Å; F155-F158 VanDerWaalsContact O-N 3.1Å; V156-F158 PolarHBondContact O-N 3.38Å; F158-D162 PolarHBondContact O-N 3.08Å; F158-D162 VanDerWaalsContact O-N 3.1Å; F158-F188 HydrophobicContact CB-CE2 4.47Å; F158-F188 HydrophobicContact CB-CZ 4.42Å; F158-F188 AromaticContact CD1-CE2 3.89Å; F158-F188 HydrophobicContact CD1-CE2 3.89Å; F158-F188 AromaticContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD2-CE2 4.18Å; F158-F188 HydrophobicContact CE1-CE2 4.02Å; F158-F188 AromaticContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE2-CE2 4.31Å; F158-F188 AromaticContact CG-CE2 3.94Å; F158-F188 HydrophobicContact CG-CE2 3.94Å; F158-F188 AromaticContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CZ-CE2 4.21Å; F158-F188 HydrophobicContact CZ-CZ 4.44Å; F158-I194 HydrophobicContact CE1-CD1 4.13Å
159L98.9Very high98.5Very high15 Ų1520.5 Ų20.58%0.07910%0.1CC..Hα-helixtrans-66.5-47.6173.2-73.7171.8000111.1A16 L77 E101 T104 F155 V156 D162 V163A16-L159 HydrophobicContact CB-CD2 4.05Å; L77-L159 HydrophobicContact CD1-CD1 4.02Å; L77-L159 HydrophobicContact CD1-CD2 3.44Å; L77-L159 VanDerWaalsContact CD1-CD2 3.44Å; L77-L159 HydrophobicContact CD1-CG 3.7Å; E101-L159 HydrophobicContact CB-CD1 4.39Å; E101-L159 HydrophobicContact CG-CD1 4.14Å; T104-L159 HydrophobicContact CG2-CB 4.2Å; F155-L159 HydrophobicContact CD2-CD1 4.2Å; F155-L159 HydrophobicContact CE2-CD1 3.98Å; F155-L159 PolarHBondContact O-N 3.31Å; V156-L159 HydrophobicContact CG2-CD1 4.32Å; V156-L159 WeakPolarHBondContact O-CB 3.5Å; V156-L159 PolarHBondContact O-N 2.88Å; L159-D162 PolarHBondContact O-N 3.02Å; L159-V163 WeakPolarHBondContact O-CG2 3.47Å; L159-V163 PolarHBondContact O-N 3.43Å
160V98.9Very high98.5Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-66.9-39.9-179.8-178.40000111L100 T104 Y138 F148 V156 D162 V163 L164 F184L100-V160 HydrophobicContact CD1-CG2 4.39Å; L100-V160 HydrophobicContact CD2-CG2 4.28Å; T104-V160 HydrophobicContact CG2-CB 4.35Å; T104-V160 HydrophobicContact CG2-CG2 3.6Å; Y138-V160 HydrophobicContact CD1-CG1 4.04Å; Y138-V160 HydrophobicContact CE1-CG1 4.24Å; Y138-V160 HydrophobicContact CE1-CG2 4.35Å; F148-V160 HydrophobicContact CD1-CG2 4.41Å; F148-V160 HydrophobicContact CD2-CB 3.95Å; F148-V160 HydrophobicContact CD2-CG1 3.84Å; F148-V160 HydrophobicContact CD2-CG2 4.09Å; F148-V160 HydrophobicContact CE1-CG1 4.03Å; F148-V160 HydrophobicContact CE2-CB 3.86Å; F148-V160 HydrophobicContact CE2-CG1 3.24Å; F148-V160 HydrophobicContact CE2-CG2 4.31Å; F148-V160 HydrophobicContact CG-CG1 4.48Å; F148-V160 HydrophobicContact CG-CG2 4.16Å; F148-V160 HydrophobicContact CZ-CB 4.33Å; F148-V160 HydrophobicContact CZ-CG1 3.35Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.43Å; V160-D162 PolarHBondContact O-N 2.9Å; V160-V163 PolarHBondContact O-N 3.05Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.92Å; V160-L164 WeakPolarHBondContact O-CB 3.17Å; V160-L164 VanDerWaalsContact O-CG 3.27Å; V160-L164 WeakPolarHBondContact O-CG 3.41Å; V160-L164 PolarHBondContact O-N 3.46Å; V160-F184 HydrophobicContact CB-CZ 4.37Å; V160-F184 HydrophobicContact CG1-CE1 4.21Å; V160-F184 HydrophobicContact CG1-CZ 4.43Å
161Y98.9Very high98.4Very high3 Ų323.2 Ų23.21%0.01211%0.11CC..Hα-helixtrans-54.7-51.4171171.6-95.9000111.4H15 L19 D157 V163 L164 D165 I185 F188 E189 M198H15-Y161 AromaticContact NE2-CE1 3.88Å; L19-Y161 HydrophobicContact CD1-CD1 3.54Å; L19-Y161 HydrophobicContact CD1-CE1 3.69Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 3.37Å; Y161-V163 VanDerWaalsContact C-N 3.35Å; Y161-V163 PolarHBondContact O-N 2.93Å; Y161-L164 PolarHBondContact O-N 2.69Å; Y161-D165 HydrophobicContact CE1-CB 4.3Å; Y161-D165 HydrophobicContact CE2-CB 4.26Å; Y161-D165 VanDerWaalsContact O-CB 3.26Å; Y161-D165 WeakPolarHBondContact O-CB 3.22Å; Y161-D165 PolarHBondContact O-N 2.82Å; Y161-I185 HydrophobicContact CD2-CD1 3.6Å; Y161-I185 HydrophobicContact CE2-CD1 3.89Å; Y161-I185 HydrophobicContact CE2-CG2 4.41Å; Y161-F188 AromaticContact CD1-CD1 3.84Å; Y161-F188 HydrophobicContact CD1-CD1 3.84Å; Y161-F188 AromaticContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CE1 3.5Å; Y161-F188 VanDerWaalsContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CZ 4.15Å; Y161-F188 HydrophobicContact CD2-CB 4.01Å; Y161-F188 AromaticContact CD2-CD1 3.28Å; Y161-F188 HydrophobicContact CD2-CD1 3.28Å; Y161-F188 AromaticContact CD2-CE1 3.87Å; Y161-F188 HydrophobicContact CD2-CE1 3.87Å; Y161-F188 AromaticContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CE1-CD1 4.23Å; Y161-F188 AromaticContact CE1-CE1 3.98Å; Y161-F188 HydrophobicContact CE1-CE1 3.98Å; Y161-F188 AromaticContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CE1 4.32Å; Y161-F188 AromaticContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD2 4.42Å; Y161-F188 AromaticContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE1 3.44Å; Y161-F188 VanDerWaalsContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE2 4.49Å; Y161-F188 AromaticContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CZ 4.04Å; Y161-E189 HydrophobicContact CE2-CG 3.57Å; Y161-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y161-E189 PolarHBondContact OH-OE1 3.13Å; Y161-M198 HydrophobicContact CE1-CE 3.91Å; Y161-M198 HydrophobicContact CE2-CE 4.48Å; Y161-M198 WeakPolarHBondContact OH-CE 3.45Å
162D98.6Very high98.4Very high8 Ų821.3 Ų21.34%0.04311%0.105CC..Hα-helixtrans-58.8-46.1-179-178.742.2000111.7R11 H15 A16 F158 L159 V160 L166R11-D162 IonicContact CZ-OD1 3.55Å; R11-D162 IonicContact NE-OD1 3.51Å; R11-D162 PolarHBondContact NE-OD1 2.95Å; R11-D162 PolarHBondContact NH2-O 3.22Å; R11-D162 IonicContact NH2-OD1 3.99Å; R11-D162 PolarHBondContact NH2-OD1 2.79Å; H15-D162 WeakPolarHBondContact CB-OD1 3.47Å; H15-D162 IonicContact CD2-OD1 2.93Å; H15-D162 PolarHBondContact CD2-OD1 3.35Å; H15-D162 VanDerWaalsContact CD2-OD1 3.23Å; H15-D162 IonicContact CG-OD1 2.77Å; A16-D162 HydrophobicContact CB-CB 4.48Å; F158-D162 PolarHBondContact O-N 3.08Å; F158-D162 VanDerWaalsContact O-N 3.1Å; L159-D162 PolarHBondContact O-N 3.02Å; V160-D162 PolarHBondContact O-N 2.9Å; D162-L166 WeakPolarHBondContact O-CB 3.35Å; D162-L166 PolarHBondContact O-N 3.1Å
163V98.2Very high98.4Very high3 Ų323.2 Ų23.22%0.01811%0.113CC..Hα-helixtrans-63.8-47.4178.3171.40000111.7T104 N107 H108 L159 V160 Y161 L166 H167T104-V163 HydrophobicContact CG2-CG2 4.17Å; N107-V163 HydrophobicContact CB-CG1 4.19Å; H108-V163 HydrophobicContact CB-CG2 4.38Å; L159-V163 WeakPolarHBondContact O-CG2 3.47Å; L159-V163 PolarHBondContact O-N 3.43Å; V160-V163 PolarHBondContact O-N 3.05Å; Y161-V163 VanDerWaalsContact C-N 3.35Å; Y161-V163 PolarHBondContact O-N 2.93Å; V163-L166 PolarHBondContact O-N 3.17Å; V163-H167 PolarHBondContact O-N 3.34Å; V163-H167 VanDerWaalsContact O-N 3.08Å; V163-H167 PolarHBondContact O-ND1 3.21Å
164L98.7Very high98.4Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-67.6-41.8-178.3-68.7179000111.9L135 Y138 V160 Y161 H167 R168 L175 L181 F184 I185L135-L164 HydrophobicContact CD2-CD2 3.65Å; Y138-L164 HydrophobicContact CG-CD2 4.49Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.92Å; V160-L164 WeakPolarHBondContact O-CB 3.17Å; V160-L164 VanDerWaalsContact O-CG 3.27Å; V160-L164 WeakPolarHBondContact O-CG 3.41Å; V160-L164 PolarHBondContact O-N 3.46Å; Y161-L164 PolarHBondContact O-N 2.69Å; L164-H167 PolarHBondContact O-N 3.27Å; L164-R168 PolarHBondContact O-N 2.88Å; L164-L175 HydrophobicContact CD2-CD2 4.23Å; L164-L181 HydrophobicContact CD1-CB 4.5Å; L164-L181 HydrophobicContact CD1-CD2 4.08Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å; L164-F184 HydrophobicContact CD1-CD1 3.81Å; L164-F184 HydrophobicContact CD1-CE1 3.98Å; L164-I185 HydrophobicContact CB-CD1 3.84Å; L164-I185 HydrophobicContact CB-CG1 4.49Å
165D98.4Very high98.3Very high7 Ų723.4 Ų23.44%0.03712%0.115CC..Hα-helixtrans-66.4-39.4176.2176.853.7000111.7R11 Y161 H167 R168 I169R11-D165 IonicContact CZ-OD2 2.79Å; R11-D165 VanDerWaalsContact CZ-OD2 3.3Å; R11-D165 IonicContact NH1-OD2 2.69Å; R11-D165 PolarHBondContact NH1-OD2 2.95Å; R11-D165 IonicContact NH2-OD2 2.77Å; R11-D165 PolarHBondContact NH2-OD2 3.37Å; Y161-D165 HydrophobicContact CE1-CB 4.3Å; Y161-D165 HydrophobicContact CE2-CB 4.26Å; Y161-D165 VanDerWaalsContact O-CB 3.26Å; Y161-D165 WeakPolarHBondContact O-CB 3.22Å; Y161-D165 PolarHBondContact O-N 2.82Å; D165-H167 VanDerWaalsContact C-N 3.29Å; D165-H167 PolarHBondContact O-N 2.77Å; D165-R168 CarbonylContact O-C 3.5Å; D165-R168 WeakPolarHBondContact O-CB 3.2Å; D165-R168 PolarHBondContact O-N 2.74Å; D165-R168 VanDerWaalsContact O-N 3.13Å; D165-R168 IonicContact OD1-CZ 3.94Å; D165-R168 IonicContact OD1-NE 3.57Å; D165-R168 PolarHBondContact OD1-NE 2.83Å; D165-R168 IonicContact OD1-NH2 3.56Å; D165-R168 PolarHBondContact OD1-NH2 2.84Å; D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 3.06Å
166L97.5Very high98.3Very high1 Ų127.4 Ų27.41%0.00514%0.137CC..Hα-helixtrans-58.6-42.4174175.558.9000111.6L111 D162 V163 I169 F170 V208 F209L111-L166 HydrophobicContact CD2-CD1 4.13Å; L111-L166 HydrophobicContact CD2-CD2 3.7Å; L111-L166 HydrophobicContact CD2-CG 3.51Å; D162-L166 WeakPolarHBondContact O-CB 3.35Å; D162-L166 PolarHBondContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 3.17Å; L166-I169 PolarHBondContact O-N 3.36Å; L166-F170 PolarHBondContact O-N 3.48Å; L166-V208 HydrophobicContact CD1-CB 4.4Å; L166-V208 HydrophobicContact CD1-CG1 3.19Å; L166-V208 HydrophobicContact CD1-CG2 4.34Å; L166-F209 HydrophobicContact CD2-CZ 4.4Å
167H98.1Very high98.3Very high3 Ų331.1 Ų31.11%0.01417%0.167CC..Hα-helixtrans-67.2-39.7173.5-73.894.1000112.7Y127 L131 V163 L164 D165 I169 F170 E171Y127-H167 AromaticContact CE1-NE2 3.95Å; Y127-H167 AromaticContact CZ-NE2 3.69Å; Y127-H167 PolarHBondContact OH-NE2 3.04Å; L131-H167 HydrophobicContact CD1-CB 4.47Å; L131-H167 WeakPolarHBondContact CD1-CD2 3.35Å; V163-H167 PolarHBondContact O-N 3.34Å; V163-H167 VanDerWaalsContact O-N 3.08Å; V163-H167 PolarHBondContact O-ND1 3.21Å; L164-H167 PolarHBondContact O-N 3.27Å; D165-H167 VanDerWaalsContact C-N 3.29Å; D165-H167 PolarHBondContact O-N 2.77Å; H167-I169 PolarHBondContact O-N 3.46Å; H167-F170 WeakPolarHBondContact O-CB 3.45Å; H167-F170 PolarHBondContact O-N 3.03Å; H167-E171 PolarHBondContact O-N 2.82Å
168R97.7Very high98.3Very high78 Ų7832.1 Ų32.129%0.29417%0.172SC..Hα-helixtrans-59.5-35.7172.5179.917969169.80.8111.6L164 D165 E171 P172 L175 E189L164-R168 PolarHBondContact O-N 2.88Å; D165-R168 CarbonylContact O-C 3.5Å; D165-R168 WeakPolarHBondContact O-CB 3.2Å; D165-R168 PolarHBondContact O-N 2.74Å; D165-R168 VanDerWaalsContact O-N 3.13Å; D165-R168 IonicContact OD1-CZ 3.94Å; D165-R168 IonicContact OD1-NE 3.57Å; D165-R168 PolarHBondContact OD1-NE 2.83Å; D165-R168 IonicContact OD1-NH2 3.56Å; D165-R168 PolarHBondContact OD1-NH2 2.84Å; R168-E171 CarbonylContact O-C 3.56Å; R168-P172 WeakPolarHBondContact O-CA 3.23Å; R168-L175 HydrophobicContact CB-CD1 4.24Å; R168-E189 IonicContact CZ-OE1 2.71Å; R168-E189 IonicContact NH1-OE1 2.99Å; R168-E189 IonicContact NH1-OE2 3.59Å; R168-E189 IonicContact NH2-OE1 3.3Å; R168-E189 PolarHBondContact NH2-OE1 3.43Å; R168-E189 IonicContact NH2-OE2 3.23Å
169I97.4Very high98.3Very high31 Ų3136.3 Ų36.316%0.15920%0.199CC..Hα-helixtrans-71.1-35.7174.3-71.9168.2000111.5D165 L166 H167 R206 V208 W215D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 3.06Å; L166-I169 PolarHBondContact O-N 3.36Å; H167-I169 PolarHBondContact O-N 3.46Å; I169-R206 VanDerWaalsContact CG2-NH1 3.3Å; I169-V208 HydrophobicContact CG2-CG2 4.25Å; I169-W215 HydrophobicContact CG2-CH2 3.81Å; I169-W215 HydrophobicContact CG2-CZ2 4.14Å
170F97.6Very high98.3Very high7 Ų737.2 Ų37.23%0.03120%0.204CC..Hα-helixtrans-73.3-43.6-180-170.9-107.9000113.2L111 F120 K124 Y127 L128 L166 H167 W215L111-F170 HydrophobicContact CD1-CD1 4.14Å; L111-F170 HydrophobicContact CD1-CD2 3.98Å; L111-F170 HydrophobicContact CD1-CE1 4.19Å; L111-F170 HydrophobicContact CD1-CE2 4.04Å; L111-F170 HydrophobicContact CD1-CG 4.02Å; L111-F170 HydrophobicContact CD1-CZ 4.14Å; F120-F170 AromaticContact CE2-CE2 3.68Å; F120-F170 HydrophobicContact CE2-CE2 3.68Å; F120-F170 AromaticContact CE2-CZ 3.9Å; F120-F170 HydrophobicContact CE2-CZ 3.9Å; F120-F170 AromaticContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CZ 4.05Å; K124-F170 HydrophobicContact CD-CZ 4.17Å; K124-F170 HydrophobicContact CG-CE1 4.35Å; K124-F170 HydrophobicContact CG-CZ 3.91Å; Y127-F170 HydrophobicContact CD1-CD1 4.27Å; Y127-F170 AromaticContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CE1-CD1 4.29Å; Y127-F170 HydrophobicContact CE1-CE1 4.15Å; L128-F170 HydrophobicContact CD2-CD1 3.88Å; L128-F170 HydrophobicContact CD2-CE1 3.65Å; L128-F170 HydrophobicContact CG-CE1 4.26Å; L166-F170 PolarHBondContact O-N 3.48Å; H167-F170 WeakPolarHBondContact O-CB 3.45Å; H167-F170 PolarHBondContact O-N 3.03Å; F170-W215 HydrophobicContact CB-CH2 3.91Å; F170-W215 HydrophobicContact CB-CZ2 4.21Å; F170-W215 AromaticContact CD2-CD2 3.87Å; F170-W215 HydrophobicContact CD2-CD2 3.87Å; F170-W215 AromaticContact CD2-CE2 3.71Å; F170-W215 AromaticContact CD2-CE3 3.93Å; F170-W215 HydrophobicContact CD2-CE3 3.93Å; F170-W215 AromaticContact CD2-CH2 3.61Å; F170-W215 HydrophobicContact CD2-CH2 3.61Å; F170-W215 AromaticContact CD2-CZ2 3.61Å; F170-W215 HydrophobicContact CD2-CZ2 3.61Å; F170-W215 AromaticContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CE2-CD2 4.03Å; F170-W215 HydrophobicContact CE2-CE3 4.28Å; F170-W215 HydrophobicContact CE2-CG 4.38Å; F170-W215 HydrophobicContact CE2-CZ2 4.49Å; F170-W215 HydrophobicContact CG-CH2 4.27Å; F170-W215 HydrophobicContact CG-CZ2 4.38Å
171E98Very high98.3Very high62 Ų6237.2 Ų37.229%0.2920%0.204SC..SBendtrans-139.496.5178.5177.647.4-125.300109.3L128 L131 H167 R168 K173 C174L128-E171 HydrophobicContact CD2-CB 3.76Å; L128-E171 HydrophobicContact CD2-CG 4.03Å; L131-E171 HydrophobicContact CD2-CB 4.18Å; H167-E171 PolarHBondContact O-N 2.82Å; R168-E171 CarbonylContact O-C 3.56Å; E171-K173 PolarHBondContact O-N 2.99Å; E171-C174 HydrophobicContact CB-CB 4.07Å; E171-C174 HydrophobicContact CG-CB 3.97Å; E171-C174 VanDerWaalsContact O-CB 3.29Å; E171-C174 WeakPolarHBondContact O-CB 3.26Å; E171-C174 PolarHBondContact O-N 3.15Å; E171-C174 PolarHBondContact O-SG 2.93Å
172P98.2Very high98.3Very high94 Ų9441.3 Ų41.361%0.6122%0.222SC*.THydrogen-bonded Turntrans-54.3-28-170.3-31.237.4000116.4R168R168-P172 WeakPolarHBondContact O-CA 3.23Å
173K98Very high98.3Very high151 Ų15145.3 Ų45.366%0.65724%0.243SC*.THydrogen-bonded Turntrans-95.71.6-177.9-64-176.3178.8179.20113.6E171 L175 D176E171-K173 PolarHBondContact O-N 2.99Å; K173-L175 PolarHBondContact O-N 2.88Å; K173-D176 WeakPolarHBondContact O-CB 3.17Å; K173-D176 PolarHBondContact O-N 3.3Å
174C98.3Very high98.3Very high18 Ų1845.3 Ų45.312%0.12224%0.243CC..THydrogen-bonded Turntrans-61.4-24.9-171.574.10000113.6L131 L135 E171L131-C174 HydrophobicContact CD2-CB 3.67Å; L131-C174 HydrophobicContact CG-CB 4.32Å; L135-C174 HydrophobicContact CD1-CB 3.65Å; L135-C174 WeakPolarHBondContact CD1-O 3.24Å; E171-C174 HydrophobicContact CB-CB 4.07Å; E171-C174 HydrophobicContact CG-CB 3.97Å; E171-C174 VanDerWaalsContact O-CB 3.29Å; E171-C174 WeakPolarHBondContact O-CB 3.26Å; E171-C174 PolarHBondContact O-N 3.15Å; E171-C174 PolarHBondContact O-SG 2.93Å
175L98.4Very high98.3Very high7 Ų745.4 Ų45.44%0.03724%0.244CC..THydrogen-bonded Turntrans-93.2-5-179.9-59.5-179.7000114.2L135 L164 R168 K173 A177 F178 L181 K182 I185L135-L175 HydrophobicContact CD1-CD2 4.07Å; L135-L175 HydrophobicContact CD2-CD2 3.99Å; L164-L175 HydrophobicContact CD2-CD2 4.23Å; R168-L175 HydrophobicContact CB-CD1 4.24Å; K173-L175 PolarHBondContact O-N 2.88Å; L175-A177 PolarHBondContact O-N 2.96Å; L175-F178 PolarHBondContact O-N 3Å; L175-L181 HydrophobicContact CD2-CB 4.31Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; L175-K182 HydrophobicContact CB-CG 3.9Å; L175-K182 WeakPolarHBondContact O-CD 3.35Å; L175-K182 WeakPolarHBondContact O-CG 3.44Å; L175-I185 HydrophobicContact CD1-CG1 4.12Å
176D98.2Very high98.3Very high87 Ų8748.7 Ų48.747%0.46527%0.267SS..THydrogen-bonded Turntrans-64.1-28.7-172.4-77.4-20.5000113.6K173 F178 K182K173-D176 WeakPolarHBondContact O-CB 3.17Å; K173-D176 PolarHBondContact O-N 3.3Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.05Å; D176-K182 IonicContact OD1-NZ 2.71Å; D176-K182 PolarHBondContact OD1-NZ 3.04Å
177A98.3Very high98.4Very high78 Ų7853.8 Ų53.865%0.64529%0.286SS*.THydrogen-bonded Turntrans-78-6175.200000113.9L175 P179L175-A177 PolarHBondContact O-N 2.96Å; A177-P179 WeakPolarHBondContact O-CD 3.45Å
178F98.7Very high98.4Very high22 Ų2253.7 Ų53.710%0.09629%0.286CS..  trans-126.378.2-171.4-50-70.4000111.5P132 L135 K136 L175 D176 N180 L181 K182P132-F178 VanDerWaalsContact O-CZ 3.31Å; P132-F178 WeakPolarHBondContact O-CZ 3.34Å; L135-F178 HydrophobicContact CB-CD2 3.84Å; L135-F178 HydrophobicContact CB-CE2 3.43Å; L135-F178 VanDerWaalsContact CB-CE2 3.43Å; L135-F178 HydrophobicContact CB-CZ 3.96Å; L135-F178 HydrophobicContact CD1-CE2 4.17Å; L135-F178 HydrophobicContact CG-CE2 4.46Å; K136-F178 HydrophobicContact CB-CE1 3.74Å; K136-F178 HydrophobicContact CB-CZ 4.08Å; K136-F178 HydrophobicContact CG-CE1 4.35Å; L175-F178 PolarHBondContact O-N 3Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.05Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.8Å; F178-L181 HydrophobicContact CB-CB 3.99Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.89Å; F178-L181 HydrophobicContact CD2-CD1 4.44Å; F178-L181 HydrophobicContact CG-CD1 4.14Å; F178-L181 PolarHBondContact O-N 3.42Å; F178-K182 PolarHBondContact O-N 2.83Å; F178-K182 VanDerWaalsContact O-N 3.15Å
179P98.7Very high98.5Very high87 Ų8752.3 Ų52.357%0.56528%0.282SS*.Hα-helixtrans-54.8-41.4-175.9-27.234.9000113.6A177 L181 K182 D183A177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 3.42Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.14Å; P179-D183 VanDerWaalsContact O-CG 3.26Å; P179-D183 PolarHBondContact O-N 3.19Å
180N98.8Very high98.5Very high35 Ų3553.3 Ų53.319%0.18730%0.301CS..Hα-helixtrans-62.8-31.9178.261.3-19.1000113.6S139 L142 G143 F178 F184S139-N180 PolarHBondContact O-ND2 3Å; S139-N180 VanDerWaalsContact OG-CG 3.27Å; S139-N180 PolarHBondContact OG-ND2 2.98Å; S139-N180 VanDerWaalsContact OG-ND2 3.08Å; S139-N180 PolarHBondContact OG-OD1 3.28Å; L142-N180 HydrophobicContact CD2-CB 4.43Å; G143-N180 PolarHBondContact O-ND2 2.89Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.8Å; N180-F184 WeakPolarHBondContact O-CB 3.48Å; N180-F184 PolarHBondContact O-N 3.31Å
181L98.9Very high98.6Very high0 Ų054.6 Ų54.60%031%0.308CS..Hα-helixtrans-74.6-37.4174.2-62.2-173.8000111.5L135 L142 F148 L164 L175 F178 P179 D183 F184 I185L135-L181 HydrophobicContact CB-CD1 4.5Å; L135-L181 WeakPolarHBondContact O-CD1 3.36Å; L142-L181 HydrophobicContact CD2-CD2 4.01Å; F148-L181 HydrophobicContact CZ-CD2 4.09Å; L164-L181 HydrophobicContact CD1-CB 4.5Å; L164-L181 HydrophobicContact CD1-CD2 4.08Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å; L175-L181 HydrophobicContact CD2-CB 4.31Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; F178-L181 HydrophobicContact CB-CB 3.99Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.89Å; F178-L181 HydrophobicContact CD2-CD1 4.44Å; F178-L181 HydrophobicContact CG-CD1 4.14Å; F178-L181 PolarHBondContact O-N 3.42Å; P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 3.42Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-F184 WeakPolarHBondContact O-CB 3.19Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-I185 WeakPolarHBondContact O-CG1 3.48Å; L181-I185 PolarHBondContact O-N 3.37Å
182K98.7Very high98.6Very high89 Ų8959.6 Ų59.639%0.38733%0.331SS..Hα-helixtrans-63.7-40.2172-66.9-176.368.6164.20111.6L175 D176 F178 P179 I185 S186L175-K182 HydrophobicContact CB-CG 3.9Å; L175-K182 WeakPolarHBondContact O-CD 3.35Å; L175-K182 WeakPolarHBondContact O-CG 3.44Å; D176-K182 IonicContact OD1-NZ 2.71Å; D176-K182 PolarHBondContact OD1-NZ 3.04Å; F178-K182 PolarHBondContact O-N 2.83Å; F178-K182 VanDerWaalsContact O-N 3.15Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.14Å; K182-I185 PolarHBondContact O-N 2.99Å; K182-S186 WeakPolarHBondContact O-CB 3.29Å; K182-S186 PolarHBondContact O-N 3.25Å; K182-S186 PolarHBondContact O-OG 2.99Å
183D98.7Very high98.6Very high92 Ų9258.9 Ų58.949%0.49232%0.318SS..Hα-helixtrans-64.9-41.3174.9-69.8-15.7000111.3P179 L181 S186 R187P179-D183 VanDerWaalsContact O-CG 3.26Å; P179-D183 PolarHBondContact O-N 3.19Å; L181-D183 VanDerWaalsContact C-N 3.32Å; D183-S186 PolarHBondContact O-N 3.18Å; D183-R187 VanDerWaalsContact O-CB 3.24Å; D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 PolarHBondContact O-N 3.48Å
184F98.9Very high98.7Very high2 Ų251.7 Ų51.71%0.00929%0.287CS..Hα-helixtrans-59.6-50.5173.8166.8-96.3000111.9L142 W147 F148 D157 V160 L164 N180 L181 S186 R187 F188L142-F184 HydrophobicContact CD2-CB 3.88Å; L142-F184 HydrophobicContact CD2-CG 4.43Å; W147-F184 HydrophobicContact CE3-CD2 4.33Å; W147-F184 AromaticContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CZ3-CD2 4.48Å; W147-F184 HydrophobicContact CZ3-CE2 4.14Å; F148-F184 AromaticContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CE1 4.46Å; F148-F184 AromaticContact CD2-CE2 3.51Å; F148-F184 HydrophobicContact CD2-CE2 3.51Å; F148-F184 AromaticContact CD2-CZ 3.8Å; F148-F184 HydrophobicContact CD2-CZ 3.8Å; F148-F184 AromaticContact CE2-CD1 3.93Å; F148-F184 HydrophobicContact CE2-CD1 3.93Å; F148-F184 AromaticContact CE2-CD2 3.66Å; F148-F184 HydrophobicContact CE2-CD2 3.66Å; F148-F184 AromaticContact CE2-CE1 3.81Å; F148-F184 HydrophobicContact CE2-CE1 3.81Å; F148-F184 AromaticContact CE2-CE2 3.53Å; F148-F184 HydrophobicContact CE2-CE2 3.53Å; F148-F184 AromaticContact CE2-CG 3.86Å; F148-F184 HydrophobicContact CE2-CG 3.86Å; F148-F184 AromaticContact CE2-CZ 3.61Å; F148-F184 HydrophobicContact CE2-CZ 3.61Å; D157-F184 HydrophobicContact CB-CE2 4.18Å; D157-F184 HydrophobicContact CB-CZ 4.3Å; D157-F184 WeakPolarHBondContact O-CZ 3.46Å; V160-F184 HydrophobicContact CB-CZ 4.37Å; V160-F184 HydrophobicContact CG1-CE1 4.21Å; V160-F184 HydrophobicContact CG1-CZ 4.43Å; L164-F184 HydrophobicContact CD1-CD1 3.81Å; L164-F184 HydrophobicContact CD1-CE1 3.98Å; N180-F184 WeakPolarHBondContact O-CB 3.48Å; N180-F184 PolarHBondContact O-N 3.31Å; L181-F184 WeakPolarHBondContact O-CB 3.19Å; L181-F184 PolarHBondContact O-N 2.95Å; F184-S186 VanDerWaalsContact C-N 3.33Å; F184-S186 PolarHBondContact O-N 3.15Å; F184-R187 WeakPolarHBondContact O-CB 3.42Å; F184-R187 PolarHBondContact O-N 3.29Å; F184-F188 WeakPolarHBondContact O-CB 3.47Å; F184-F188 PolarHBondContact O-N 3.31Å
185I98.8Very high98.7Very high3 Ų352.3 Ų52.32%0.01529%0.292CS..Hα-helixtrans-56.6-49.1177.1-71.4-66.7000110.5Y161 L164 L175 L181 K182 R187 F188 E189Y161-I185 HydrophobicContact CD2-CD1 3.6Å; Y161-I185 HydrophobicContact CE2-CD1 3.89Å; Y161-I185 HydrophobicContact CE2-CG2 4.41Å; L164-I185 HydrophobicContact CB-CD1 3.84Å; L164-I185 HydrophobicContact CB-CG1 4.49Å; L175-I185 HydrophobicContact CD1-CG1 4.12Å; L181-I185 WeakPolarHBondContact O-CG1 3.48Å; L181-I185 PolarHBondContact O-N 3.37Å; K182-I185 PolarHBondContact O-N 2.99Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.48Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-E189 HydrophobicContact CG2-CG 4.43Å; I185-E189 WeakPolarHBondContact O-CB 3.1Å; I185-E189 WeakPolarHBondContact O-CG 3.46Å; I185-E189 PolarHBondContact O-N 2.6Å
186S98.7Very high98.7Very high75 Ų7554.8 Ų54.852%0.52431%0.313SS..Hα-helixtrans-62.7-38.9-179.7-55.20000111.9K182 D183 F184 G190K182-S186 WeakPolarHBondContact O-CB 3.29Å; K182-S186 PolarHBondContact O-N 3.25Å; K182-S186 PolarHBondContact O-OG 2.99Å; D183-S186 PolarHBondContact O-N 3.18Å; F184-S186 VanDerWaalsContact C-N 3.33Å; F184-S186 PolarHBondContact O-N 3.15Å; S186-G190 PolarHBondContact O-N 2.86Å
187R98.9Very high98.8Very high109 Ų10950.7 Ų50.741%0.41129%0.291SS..Hα-helixtrans-65.1-44.3176.5-169.7-172.2-42.3-62-9.8111.6P146 W147 D183 F184 I185 G190 L191P146-R187 PolarHBondContact O-NE 3.01Å; W147-R187 HydrophobicContact CH2-CB 4.44Å; W147-R187 HydrophobicContact CH2-CG 3.75Å; W147-R187 HydrophobicContact CZ2-CG 3.91Å; W147-R187 HydrophobicContact CZ3-CG 4.48Å; D183-R187 VanDerWaalsContact O-CB 3.24Å; D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 PolarHBondContact O-N 3.48Å; F184-R187 WeakPolarHBondContact O-CB 3.42Å; F184-R187 PolarHBondContact O-N 3.29Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.48Å; R187-G190 PolarHBondContact O-N 3.24Å; R187-L191 PolarHBondContact O-N 3.02Å
188F98.9Very high98.8Very high0 Ų048.8 Ų48.80%027%0.269CS..Hα-helixtrans-64.8-49.8179-173.2-84.1000111.4L19 W147 I153 F158 Y161 F184 I185 G190 L191 I194L19-F188 HydrophobicContact CB-CZ 4.44Å; L19-F188 HydrophobicContact CD1-CE1 4.06Å; L19-F188 HydrophobicContact CD1-CZ 4.24Å; L19-F188 HydrophobicContact CD2-CE1 4.36Å; W147-F188 HydrophobicContact CZ3-CB 4.33Å; W147-F188 HydrophobicContact CZ3-CD2 4.16Å; I153-F188 HydrophobicContact CD1-CD2 4.5Å; I153-F188 HydrophobicContact CD1-CE2 4.47Å; F158-F188 HydrophobicContact CB-CE2 4.47Å; F158-F188 HydrophobicContact CB-CZ 4.42Å; F158-F188 AromaticContact CD1-CE2 3.89Å; F158-F188 HydrophobicContact CD1-CE2 3.89Å; F158-F188 AromaticContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD2-CE2 4.18Å; F158-F188 HydrophobicContact CE1-CE2 4.02Å; F158-F188 AromaticContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE2-CE2 4.31Å; F158-F188 AromaticContact CG-CE2 3.94Å; F158-F188 HydrophobicContact CG-CE2 3.94Å; F158-F188 AromaticContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CZ-CE2 4.21Å; F158-F188 HydrophobicContact CZ-CZ 4.44Å; Y161-F188 AromaticContact CD1-CD1 3.84Å; Y161-F188 HydrophobicContact CD1-CD1 3.84Å; Y161-F188 AromaticContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CE1 3.5Å; Y161-F188 VanDerWaalsContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CZ 4.15Å; Y161-F188 HydrophobicContact CD2-CB 4.01Å; Y161-F188 AromaticContact CD2-CD1 3.28Å; Y161-F188 HydrophobicContact CD2-CD1 3.28Å; Y161-F188 AromaticContact CD2-CE1 3.87Å; Y161-F188 HydrophobicContact CD2-CE1 3.87Å; Y161-F188 AromaticContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CE1-CD1 4.23Å; Y161-F188 AromaticContact CE1-CE1 3.98Å; Y161-F188 HydrophobicContact CE1-CE1 3.98Å; Y161-F188 AromaticContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CE1 4.32Å; Y161-F188 AromaticContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD2 4.42Å; Y161-F188 AromaticContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE1 3.44Å; Y161-F188 VanDerWaalsContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE2 4.49Å; Y161-F188 AromaticContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CZ 4.04Å; F184-F188 WeakPolarHBondContact O-CB 3.47Å; F184-F188 PolarHBondContact O-N 3.31Å; I185-F188 PolarHBondContact O-N 3.17Å; F188-G190 PolarHBondContact O-N 3.17Å; F188-L191 HydrophobicContact CD2-CD1 4.27Å; F188-L191 WeakPolarHBondContact O-CB 3.41Å; F188-L191 WeakPolarHBondContact O-CG 3.26Å; F188-L191 PolarHBondContact O-N 3.2Å; F188-L191 VanDerWaalsContact O-N 3.14Å; F188-I194 HydrophobicContact CD1-CG2 4.1Å; F188-I194 HydrophobicContact CE1-CD1 4.33Å; F188-I194 HydrophobicContact CE1-CG1 4.23Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; F188-I194 HydrophobicContact CZ-CD1 4.32Å; F188-I194 HydrophobicContact CZ-CG1 4.44Å
189E98.8Very high98.8Very high49 Ų4955.8 Ų55.823%0.22930%0.3CS..Hα-helixtrans-65.2-23177.6-66.2-179.9163.300112.7Y161 R168 I185 S195 M198Y161-E189 HydrophobicContact CE2-CG 3.57Å; Y161-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y161-E189 PolarHBondContact OH-OE1 3.13Å; R168-E189 IonicContact CZ-OE1 2.71Å; R168-E189 IonicContact NH1-OE1 2.99Å; R168-E189 IonicContact NH1-OE2 3.59Å; R168-E189 IonicContact NH2-OE1 3.3Å; R168-E189 PolarHBondContact NH2-OE1 3.43Å; R168-E189 IonicContact NH2-OE2 3.23Å; I185-E189 HydrophobicContact CG2-CG 4.43Å; I185-E189 WeakPolarHBondContact O-CB 3.1Å; I185-E189 WeakPolarHBondContact O-CG 3.46Å; I185-E189 PolarHBondContact O-N 2.6Å; E189-S195 WeakPolarHBondContact O-CB 3.26Å; E189-M198 HydrophobicContact CB-SD 4.3Å; E189-M198 HydrophobicContact CG-CE 4.04Å; E189-M198 HydrophobicContact CG-SD 4.01Å
190G98.7Very high98.8Very high53 Ų5353.2 Ų53.255%0.54628%0.284SS..THydrogen-bonded Turntrans-82.2-9.517600000115.2S186 R187 F188 E192S186-G190 PolarHBondContact O-N 2.86Å; R187-G190 PolarHBondContact O-N 3.24Å; F188-G190 PolarHBondContact O-N 3.17Å; G190-E192 PolarHBondContact O-N 2.99Å
191L98.8Very high98.7Very high33 Ų3357.6 Ų57.617%0.17332%0.317CS..SBendtrans-61.4132.1174.1-66.2168000109.3Y23 W147 I153 R187 F188 K193 I194 S195Y23-L191 HydrophobicContact CD2-CD1 4.12Å; Y23-L191 HydrophobicContact CE2-CB 4.5Å; Y23-L191 HydrophobicContact CE2-CD1 3.88Å; Y23-L191 HydrophobicContact CE2-CD2 4.3Å; Y23-L191 HydrophobicContact CE2-CG 4.46Å; W147-L191 HydrophobicContact CH2-CD1 3.86Å; W147-L191 HydrophobicContact CH2-CD2 4.06Å; W147-L191 HydrophobicContact CH2-CG 4.14Å; W147-L191 HydrophobicContact CZ2-CD2 4.07Å; I153-L191 HydrophobicContact CD1-CD1 3.64Å; R187-L191 PolarHBondContact O-N 3.02Å; F188-L191 HydrophobicContact CD2-CD1 4.27Å; F188-L191 WeakPolarHBondContact O-CB 3.41Å; F188-L191 WeakPolarHBondContact O-CG 3.26Å; F188-L191 PolarHBondContact O-N 3.2Å; F188-L191 VanDerWaalsContact O-N 3.14Å; L191-K193 PolarHBondContact O-N 3.4Å; L191-I194 HydrophobicContact CB-CB 4.03Å; L191-I194 HydrophobicContact CB-CG1 3.82Å; L191-I194 HydrophobicContact CD1-CG1 4.04Å; L191-I194 PolarHBondContact O-N 2.84Å; L191-S195 WeakPolarHBondContact O-CB 3.45Å; L191-S195 PolarHBondContact O-N 3.32Å
192E98.8Very high98.7Very high167 Ų16763.6 Ų63.678%0.7834%0.34SS*.Hα-helixtrans-50.2-52.7-170.9-175.7-175.9170.400113.1G190 I194 S195 A196G190-E192 PolarHBondContact O-N 2.99Å; E192-I194 PolarHBondContact O-N 2.96Å; E192-S195 PolarHBondContact O-N 2.99Å; E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.48Å
193K98.7Very high98.7Very high80 Ų8061.6 Ų61.635%0.34833%0.331SS..Hα-helixtrans-64.9-37.4179.4-66.5-69.2-171.5168.50112.8D25 L191 Y197D25-K193 IonicContact OD1-NZ 3.47Å; D25-K193 PolarHBondContact OD1-NZ 2.91Å; D25-K193 IonicContact OD2-NZ 2.8Å; D25-K193 PolarHBondContact OD2-NZ 3.27Å; L191-K193 PolarHBondContact O-N 3.4Å; K193-Y197 VanDerWaalsContact O-CB 3.3Å; K193-Y197 WeakPolarHBondContact O-CB 3.25Å; K193-Y197 PolarHBondContact O-N 3.01Å
194I98.9Very high98.7Very high0 Ų058.4 Ų58.40%031%0.314CS..Hα-helixtrans-69.4-48.3177.6-59.1-55.8000110.7L19 Y23 F158 F188 L191 E192 A196 Y197 M198L19-I194 HydrophobicContact CB-CD1 4.29Å; L19-I194 HydrophobicContact CD2-CD1 4.13Å; L19-I194 HydrophobicContact CD2-CG2 4.23Å; L19-I194 WeakPolarHBondContact O-CD1 3.39Å; Y23-I194 HydrophobicContact CD2-CD1 4.47Å; Y23-I194 HydrophobicContact CD2-CG1 4.32Å; F158-I194 HydrophobicContact CE1-CD1 4.13Å; F188-I194 HydrophobicContact CD1-CG2 4.1Å; F188-I194 HydrophobicContact CE1-CD1 4.33Å; F188-I194 HydrophobicContact CE1-CG1 4.23Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; F188-I194 HydrophobicContact CZ-CD1 4.32Å; F188-I194 HydrophobicContact CZ-CG1 4.44Å; L191-I194 HydrophobicContact CB-CB 4.03Å; L191-I194 HydrophobicContact CB-CG1 3.82Å; L191-I194 HydrophobicContact CD1-CG1 4.04Å; L191-I194 PolarHBondContact O-N 2.84Å; E192-I194 PolarHBondContact O-N 2.96Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 2.79Å; I194-Y197 PolarHBondContact O-N 3.4Å; I194-M198 HydrophobicContact CG2-CE 3.54Å; I194-M198 HydrophobicContact CG2-CG 4.32Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CG 3.43Å; I194-M198 PolarHBondContact O-N 3.17Å
195S98.7Very high98.6Very high31 Ų3160.4 Ų60.422%0.21733%0.327CS..Hα-helixtrans-60.3-40.4177.9-165.60000111.6E189 L191 E192 K199E189-S195 WeakPolarHBondContact O-CB 3.26Å; L191-S195 WeakPolarHBondContact O-CB 3.45Å; L191-S195 PolarHBondContact O-N 3.32Å; E192-S195 PolarHBondContact O-N 2.99Å; S195-K199 WeakPolarHBondContact O-CD 3.44Å; S195-K199 WeakPolarHBondContact O-CG 3.41Å; S195-K199 PolarHBondContact O-N 3.2Å; S195-K199 PolarHBondContact OG-NZ 3.39Å; S195-K199 VanDerWaalsContact OG-NZ 3.1Å
196A98.8Very high98.6Very high59 Ų5965.8 Ų65.849%0.48835%0.347SS..Hα-helixtrans-64.5-46.7174.600000111.5E192 I194 K199 S200E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.48Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 2.79Å; A196-K199 PolarHBondContact O-N 3.37Å; A196-S200 PolarHBondContact O-N 3.04Å
197Y98.7Very high98.6Very high1 Ų163.5 Ų63.50%0.00433%0.331CS..Hα-helixtrans-60.4-46.5177.8169.9-122000112.2L19 E22 K193 I194 K199 S200 R202 F203L19-Y197 HydrophobicContact CD2-CD1 3.82Å; L19-Y197 HydrophobicContact CD2-CE1 3.81Å; L19-Y197 HydrophobicContact CG-CE1 4.44Å; E22-Y197 HydrophobicContact CB-CD1 4.28Å; E22-Y197 HydrophobicContact CB-CD2 4.35Å; E22-Y197 HydrophobicContact CB-CG 3.97Å; E22-Y197 HydrophobicContact CG-CD1 3.99Å; E22-Y197 HydrophobicContact CG-CD2 3.43Å; E22-Y197 VanDerWaalsContact CG-CD2 3.43Å; E22-Y197 HydrophobicContact CG-CE1 4.28Å; E22-Y197 HydrophobicContact CG-CE2 3.78Å; E22-Y197 HydrophobicContact CG-CG 3.54Å; E22-Y197 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y197 WeakPolarHBondContact OE1-CE2 3.34Å; K193-Y197 VanDerWaalsContact O-CB 3.3Å; K193-Y197 WeakPolarHBondContact O-CB 3.25Å; K193-Y197 PolarHBondContact O-N 3.01Å; I194-Y197 PolarHBondContact O-N 3.4Å; Y197-K199 PolarHBondContact O-N 3.25Å; Y197-K199 VanDerWaalsContact O-N 3.13Å; Y197-S200 VanDerWaalsContact O-CB 3.26Å; Y197-S200 WeakPolarHBondContact O-CB 3.32Å; Y197-S200 PolarHBondContact O-N 2.86Å; Y197-S200 PolarHBondContact O-OG 3.44Å; Y197-R202 HydrophobicContact CD2-CB 4.27Å; Y197-R202 HydrophobicContact CE2-CB 3.73Å; Y197-F203 HydrophobicContact CD1-CD2 4.06Å; Y197-F203 AromaticContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CE2 4.31Å; Y197-F203 HydrophobicContact CE2-CB 4.43Å; Y197-F203 WeakPolarHBondContact O-CB 3.29Å
198M98.7Very high98.5Very high37 Ų3758.4 Ų58.418%0.18231%0.312CS..Hα-helixtrans-62-21.4-179.4-72.2-179.9172.700114.1L19 Y161 E189 I194 F203L19-M198 HydrophobicContact CD2-CE 4.02Å; Y161-M198 HydrophobicContact CE1-CE 3.91Å; Y161-M198 HydrophobicContact CE2-CE 4.48Å; Y161-M198 WeakPolarHBondContact OH-CE 3.45Å; E189-M198 HydrophobicContact CB-SD 4.3Å; E189-M198 HydrophobicContact CG-CE 4.04Å; E189-M198 HydrophobicContact CG-SD 4.01Å; I194-M198 HydrophobicContact CG2-CE 3.54Å; I194-M198 HydrophobicContact CG2-CG 4.32Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CG 3.43Å; I194-M198 PolarHBondContact O-N 3.17Å; M198-F203 HydrophobicContact CB-CD1 4.21Å; M198-F203 HydrophobicContact CB-CE1 4.22Å; M198-F203 HydrophobicContact CB-CG 4.38Å; M198-F203 HydrophobicContact CB-CZ 4.39Å; M198-F203 HydrophobicContact CE-CE2 4.22Å; M198-F203 HydrophobicContact CE-CZ 4.23Å; M198-F203 HydrophobicContact CG-CD1 4.39Å; M198-F203 HydrophobicContact CG-CD2 4.04Å; M198-F203 HydrophobicContact CG-CE1 4.11Å; M198-F203 HydrophobicContact CG-CE2 3.73Å; M198-F203 HydrophobicContact CG-CG 4.36Å; M198-F203 HydrophobicContact CG-CZ 3.77Å; M198-F203 WeakPolarHBondContact O-CD1 3.41Å; M198-F203 HydrophobicContact SD-CZ 4.41Å
199K98.7Very high98.5Very high170 Ų17058.7 Ų58.774%0.73931%0.313SS*.THydrogen-bonded Turntrans-91.3-8174.8-66.4166.3-171.7160.10113S195 A196 Y197S195-K199 WeakPolarHBondContact O-CD 3.44Å; S195-K199 WeakPolarHBondContact O-CG 3.41Å; S195-K199 PolarHBondContact O-N 3.2Å; S195-K199 PolarHBondContact OG-NZ 3.39Å; S195-K199 VanDerWaalsContact OG-NZ 3.1Å; A196-K199 PolarHBondContact O-N 3.37Å; Y197-K199 PolarHBondContact O-N 3.25Å; Y197-K199 VanDerWaalsContact O-N 3.13Å
200S98.6Very high98.5Very high32 Ų3256.9 Ų56.922%0.22431%0.306CS..SBendtrans-85.8160.9-179.382.50000111.8A196 Y197 R202 F203A196-S200 PolarHBondContact O-N 3.04Å; Y197-S200 VanDerWaalsContact O-CB 3.26Å; Y197-S200 WeakPolarHBondContact O-CB 3.32Å; Y197-S200 PolarHBondContact O-N 2.86Å; Y197-S200 PolarHBondContact O-OG 3.44Å; S200-R202 PolarHBondContact O-N 3.35Å; S200-R202 PolarHBondContact OG-N 3.4Å; S200-F203 PolarHBondContact O-N 3.23Å
201S98.1Very high98.4Very high127 Ų12757.5 Ų57.589%0.88829%0.293SS*.THydrogen-bonded Turntrans-68.2-11.7172.455.80000114F203S201-F203 VanDerWaalsContact C-N 3.34Å
202R98.1Very high98.4Very high126 Ų12659.7 Ų59.748%0.47530%0.303SS..THydrogen-bonded Turntrans-77.6-23.6176.5-60.3-167.8-61.2-91.12.8112E22 Y197 S200 L204E22-R202 VanDerWaalsContact CD-NH2 3.34Å; E22-R202 IonicContact OE1-CZ 2.55Å; E22-R202 VanDerWaalsContact OE1-CZ 3.27Å; E22-R202 IonicContact OE1-NE 2.89Å; E22-R202 PolarHBondContact OE1-NE 2.68Å; E22-R202 IonicContact OE1-NH2 3.27Å; E22-R202 PolarHBondContact OE1-NH2 2.81Å; E22-R202 IonicContact OE2-CZ 2.75Å; E22-R202 IonicContact OE2-NH2 3.93Å; E22-R202 PolarHBondContact OE2-NH2 3.25Å; Y197-R202 HydrophobicContact CD2-CB 4.27Å; Y197-R202 HydrophobicContact CE2-CB 3.73Å; S200-R202 PolarHBondContact O-N 3.35Å; S200-R202 PolarHBondContact OG-N 3.4Å; R202-L204 PolarHBondContact O-N 2.79Å
203F98.6Very high98.4Very high47 Ų4751.9 Ų51.921%0.20627%0.268CS..  trans-62.9120.5-178-175.4-131.1000111.4H15 Y197 M198 S200 S201 P205H15-F203 AromaticContact CE1-CE2 3.67Å; Y197-F203 HydrophobicContact CD1-CD2 4.06Å; Y197-F203 AromaticContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CE2 4.31Å; Y197-F203 HydrophobicContact CE2-CB 4.43Å; Y197-F203 WeakPolarHBondContact O-CB 3.29Å; M198-F203 HydrophobicContact CB-CD1 4.21Å; M198-F203 HydrophobicContact CB-CE1 4.22Å; M198-F203 HydrophobicContact CB-CG 4.38Å; M198-F203 HydrophobicContact CB-CZ 4.39Å; M198-F203 HydrophobicContact CE-CE2 4.22Å; M198-F203 HydrophobicContact CE-CZ 4.23Å; M198-F203 HydrophobicContact CG-CD1 4.39Å; M198-F203 HydrophobicContact CG-CD2 4.04Å; M198-F203 HydrophobicContact CG-CE1 4.11Å; M198-F203 HydrophobicContact CG-CE2 3.73Å; M198-F203 HydrophobicContact CG-CG 4.36Å; M198-F203 HydrophobicContact CG-CZ 3.77Å; M198-F203 WeakPolarHBondContact O-CD1 3.41Å; M198-F203 HydrophobicContact SD-CZ 4.41Å; S200-F203 PolarHBondContact O-N 3.23Å; S201-F203 VanDerWaalsContact C-N 3.34Å; F203-P205 VanDerWaalsContact C-CD 3.46Å; F203-P205 HydrophobicContact CD1-CB 4.34Å; F203-P205 HydrophobicContact CD1-CG 3.87Å; F203-P205 HydrophobicContact CE1-CB 3.66Å; F203-P205 HydrophobicContact CE1-CG 3.61Å; F203-P205 HydrophobicContact CE2-CB 4.41Å; F203-P205 HydrophobicContact CZ-CB 3.71Å; F203-P205 HydrophobicContact CZ-CG 4.17Å; F203-P205 VanDerWaalsContact O-CD 3.26Å; F203-P205 WeakPolarHBondContact O-CD 3.34Å
204L98.4Very high98.3Very high25 Ų2551.5 Ų51.513%0.13127%0.272CS..  trans-119.378.4-177.9-168.766.1000110.8I10 R202 R206I10-L204 WeakPolarHBondContact O-CD2 3.41Å; R202-L204 PolarHBondContact O-N 2.79Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.35Å
205P98Very high98.3Very high45 Ų4553.8 Ų53.829%0.29228%0.281SS..  trans-79.3-21178.830.9-34.1000113.1R11 F203R11-P205 WeakPolarHBondContact CD-O 3.36Å; F203-P205 VanDerWaalsContact C-CD 3.46Å; F203-P205 HydrophobicContact CD1-CB 4.34Å; F203-P205 HydrophobicContact CD1-CG 3.87Å; F203-P205 HydrophobicContact CE1-CB 3.66Å; F203-P205 HydrophobicContact CE1-CG 3.61Å; F203-P205 HydrophobicContact CE2-CB 4.41Å; F203-P205 HydrophobicContact CZ-CB 3.71Å; F203-P205 HydrophobicContact CZ-CG 4.17Å; F203-P205 VanDerWaalsContact O-CD 3.26Å; F203-P205 WeakPolarHBondContact O-CD 3.34Å
206R98Very high98.3Very high115 Ų11552.8 Ų52.843%0.43428%0.275SS..  trans-144.3157-177.9-67.4-168.4-170.5-93.30.8111.1I169 L204I169-R206 VanDerWaalsContact CG2-NH1 3.3Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.35Å
207P98.4Very high98.2Very high27 Ų2752.2 Ų52.218%0.17526%0.264CS..  cis-64.7151-5.930.1-37.4000111.2I10 R11I10-P207 HydrophobicContact CB-CG 3.94Å; I10-P207 HydrophobicContact CG2-CG 3.6Å; R11-P207 WeakPolarHBondContact CB-O 3.31Å; R11-P207 PolarHBondContact N-O 3.28Å
208V97.9Very high97.9Very high2 Ų261.7 Ų61.71%0.01231%0.305CS..SBendtrans-70.5-46.9-177.2170.90000110.3G12 L166 I169 W215 G216G12-V208 WeakPolarHBondContact CA-O 3.27Å; G12-V208 PolarHBondContact N-O 3.25Å; L166-V208 HydrophobicContact CD1-CB 4.4Å; L166-V208 HydrophobicContact CD1-CG1 3.19Å; L166-V208 HydrophobicContact CD1-CG2 4.34Å; I169-V208 HydrophobicContact CG2-CG2 4.25Å; V208-W215 HydrophobicContact CG1-CZ3 4.28Å; V208-G216 PolarHBondContact N-O 2.94Å
209F98.4Very high97.8Very high7 Ų763 Ų633%0.03131%0.311CS..SBendtrans-119174.5-178.8-65.6-59.1000110.9L111 C115 Y116 L166 A213 W215 G216L111-F209 HydrophobicContact CG-CZ 4.49Å; C115-F209 HydrophobicContact CB-CD2 3.71Å; C115-F209 HydrophobicContact CB-CE2 3.48Å; C115-F209 VanDerWaalsContact CB-CE2 3.48Å; C115-F209 HydrophobicContact CB-CZ 4.32Å; Y116-F209 HydrophobicContact CE2-CB 3.86Å; Y116-F209 AromaticContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CE1 4.39Å; Y116-F209 AromaticContact CE2-CG 3.82Å; Y116-F209 HydrophobicContact CE2-CG 3.82Å; L166-F209 HydrophobicContact CD2-CZ 4.4Å; F209-A213 HydrophobicContact CB-CB 3.57Å; F209-A213 HydrophobicContact CG-CB 4.36Å; F209-W215 HydrophobicContact CD2-CE3 4.2Å; F209-W215 HydrophobicContact CD2-CZ3 4.37Å; F209-W215 HydrophobicContact CE2-CE3 4.11Å; F209-W215 HydrophobicContact CE2-CZ3 4.05Å; F209-G216 PolarHBondContact N-O 3.12Å
210S97.8Very high97.8Very high10 Ų1057.3 Ų57.37%0.0729%0.289CS..  trans-70.4167178.473.10000111.7Y116 M212 A213 N217Y116-S210 VanDerWaalsContact CE1-OG 3.32Å; Y116-S210 WeakPolarHBondContact CE1-OG 3.28Å; Y116-S210 WeakPolarHBondContact OH-CB 3.49Å; Y116-S210 PolarHBondContact OH-N 2.94Å; Y116-S210 PolarHBondContact OH-OG 3.25Å; S210-M212 PolarHBondContact O-N 3.1Å; S210-A213 WeakPolarHBondContact O-CB 3.31Å; S210-A213 PolarHBondContact O-N 2.81Å; S210-N217 VanDerWaalsContact O-CB 3.26Å; S210-N217 WeakPolarHBondContact O-CB 3.49Å
211K98.1Very high97.8Very high66 Ų6658.7 Ų58.729%0.28729%0.293SS..THydrogen-bonded Turntrans-54.8-22.4178.2-68.2-178.6176.5-179.10114.1M35 G36 D37 Y41M35-K211 WeakPolarHBondContact O-CD 3.17Å; M35-K211 VanDerWaalsContact O-CE 3.31Å; M35-K211 WeakPolarHBondContact O-CE 3.34Å; M35-K211 PolarHBondContact O-NZ 2.88Å; M35-K211 HydrophobicContact SD-CB 4.3Å; G36-K211 VanDerWaalsContact O-CD 3.31Å; G36-K211 WeakPolarHBondContact O-CD 3.34Å; D37-K211 WeakPolarHBondContact OD1-CE 3.46Å; D37-K211 IonicContact OD1-NZ 3.43Å; D37-K211 PolarHBondContact OD1-NZ 3.11Å; D37-K211 IonicContact OD2-NZ 3.21Å; Y41-K211 HydrophobicContact CD1-CB 4.03Å; Y41-K211 HydrophobicContact CE1-CB 3.96Å
212M97.7Very high97.7Very high79 Ų7954.7 Ų54.739%0.38926%0.258SS..THydrogen-bonded Turntrans-79.2-13.1178.8-63.3179.270.700114.3M35 Y41 R43 Y116 S210M35-M212 HydrophobicContact SD-CG 4.05Å; M35-M212 HydrophobicContact SD-SD 4.35Å; Y41-M212 HydrophobicContact CD1-CG 3.53Å; Y41-M212 HydrophobicContact CD2-CG 3.92Å; Y41-M212 HydrophobicContact CD2-SD 4.47Å; Y41-M212 HydrophobicContact CE1-CB 4.42Å; Y41-M212 HydrophobicContact CE1-CG 3.7Å; Y41-M212 HydrophobicContact CE2-CG 4.08Å; Y41-M212 HydrophobicContact CG-CG 3.63Å; Y41-M212 HydrophobicContact CG-SD 4.28Å; R43-M212 PolarHBondContact NH2-SD 3.1Å; Y116-M212 HydrophobicContact CD1-CB 4.46Å; Y116-M212 HydrophobicContact CE1-CB 4.14Å; S210-M212 PolarHBondContact O-N 3.1Å
213A98.2Very high97.7Very high4 Ų450.3 Ų50.33%0.03324%0.244CC..  trans-71150.1177.200000110.9Y116 F209 S210 W215 N217Y116-A213 HydrophobicContact CD1-CB 3.85Å; Y116-A213 HydrophobicContact CD2-CB 4.19Å; Y116-A213 HydrophobicContact CE1-CB 3.72Å; Y116-A213 HydrophobicContact CE2-CB 4.09Å; Y116-A213 HydrophobicContact CG-CB 4.1Å; F209-A213 HydrophobicContact CB-CB 3.57Å; F209-A213 HydrophobicContact CG-CB 4.36Å; S210-A213 WeakPolarHBondContact O-CB 3.31Å; S210-A213 PolarHBondContact O-N 2.81Å; A213-W215 WeakPolarHBondContact CB-O 3.37Å; A213-N217 HydrophobicContact CB-CB 4.17Å; A213-N217 VanDerWaalsContact O-CB 3.28Å; A213-N217 WeakPolarHBondContact O-CB 3.48Å; A213-N217 VanDerWaalsContact O-CG 3.28Å; A213-N217 PolarHBondContact O-ND2 3.37Å; A213-N217 VanDerWaalsContact O-ND2 3.12Å
214V98.2Very high97.7Very high72 Ų7250.5 Ų50.544%0.43625%0.246SC..SBendtrans-75.6-39.3172.6179.10000110.3C115 N117 F120C115-V214 PolarHBondContact O-N 3.28Å; N117-V214 WeakPolarHBondContact O-CG2 3.43Å; F120-V214 HydrophobicContact CB-CB 4.05Å; F120-V214 HydrophobicContact CB-CG1 3.72Å; F120-V214 HydrophobicContact CD1-CG1 4.16Å; F120-V214 HydrophobicContact CG-CB 4.49Å; F120-V214 HydrophobicContact CG-CG1 4.13Å
215W98.3Very high97.6Very high48 Ų4852.3 Ų52.318%0.18226%0.255CS..SBendtrans-118.5145.2175.9-178.794000111.4C115 F120 I169 F170 V208 F209 A213 N217C115-W215 HydrophobicContact CB-CB 4.38Å; C115-W215 HydrophobicContact CB-CE3 4.28Å; C115-W215 PolarHBondContact O-N 3.21Å; F120-W215 HydrophobicContact CD1-CB 4.37Å; F120-W215 HydrophobicContact CD2-CB 4.23Å; F120-W215 HydrophobicContact CE1-CB 3.88Å; F120-W215 HydrophobicContact CE1-CG 4.22Å; F120-W215 HydrophobicContact CE2-CB 3.73Å; F120-W215 HydrophobicContact CE2-CG 4.17Å; F120-W215 HydrophobicContact CZ-CB 3.52Å; F120-W215 AromaticContact CZ-CD1 3.74Å; F120-W215 AromaticContact CZ-CG 3.67Å; F120-W215 HydrophobicContact CZ-CG 3.67Å; I169-W215 HydrophobicContact CG2-CH2 3.81Å; I169-W215 HydrophobicContact CG2-CZ2 4.14Å; F170-W215 HydrophobicContact CB-CH2 3.91Å; F170-W215 HydrophobicContact CB-CZ2 4.21Å; F170-W215 AromaticContact CD2-CD2 3.87Å; F170-W215 HydrophobicContact CD2-CD2 3.87Å; F170-W215 AromaticContact CD2-CE2 3.71Å; F170-W215 AromaticContact CD2-CE3 3.93Å; F170-W215 HydrophobicContact CD2-CE3 3.93Å; F170-W215 AromaticContact CD2-CH2 3.61Å; F170-W215 HydrophobicContact CD2-CH2 3.61Å; F170-W215 AromaticContact CD2-CZ2 3.61Å; F170-W215 HydrophobicContact CD2-CZ2 3.61Å; F170-W215 AromaticContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CE2-CD2 4.03Å; F170-W215 HydrophobicContact CE2-CE3 4.28Å; F170-W215 HydrophobicContact CE2-CG 4.38Å; F170-W215 HydrophobicContact CE2-CZ2 4.49Å; F170-W215 HydrophobicContact CG-CH2 4.27Å; F170-W215 HydrophobicContact CG-CZ2 4.38Å; V208-W215 HydrophobicContact CG1-CZ3 4.28Å; F209-W215 HydrophobicContact CD2-CE3 4.2Å; F209-W215 HydrophobicContact CD2-CZ3 4.37Å; F209-W215 HydrophobicContact CE2-CE3 4.11Å; F209-W215 HydrophobicContact CE2-CZ3 4.05Å; A213-W215 WeakPolarHBondContact CB-O 3.37Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 3.18Å
216G97.6Very high97.6Very high10 Ų1052.8 Ų52.810%0.10325%0.252CS..SBendtrans73.916.2175.500000114.5V208 F209 K218V208-G216 PolarHBondContact N-O 2.94Å; F209-G216 PolarHBondContact N-O 3.12Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.73Å
217N97.4Very high97.5Very high47 Ų4747.7 Ų47.725%0.25124%0.237SC..  trans-82.90.9-179.665.8-25.1000114.6S210 A213 W215S210-N217 VanDerWaalsContact O-CB 3.26Å; S210-N217 WeakPolarHBondContact O-CB 3.49Å; A213-N217 HydrophobicContact CB-CB 4.17Å; A213-N217 VanDerWaalsContact O-CB 3.28Å; A213-N217 WeakPolarHBondContact O-CB 3.48Å; A213-N217 VanDerWaalsContact O-CG 3.28Å; A213-N217 PolarHBondContact O-ND2 3.37Å; A213-N217 VanDerWaalsContact O-ND2 3.12Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 3.18Å
218K92.4Very high97.4Very high200 Ų20049.5 Ų49.587%0.8724%0.242SC*.  trans-138.60179.8-61.7-175.9-175.6-1780110.5G216G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.73Å

Retrieved 218 of 218 residues in 48.5 ms (Link to these results)

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