A0A087Y6D7_POEFO Loading...

glutathione transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.

AlphaFold DB , UniProt , Accession A0A087Y6D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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
1M68.2Low94.7Very high213 Ų21338.8 Ų38.8100%1.04921%0.206SC*.  0144.70-70.5-176.6-80.100107.3
2A88.6Confident95Very high39 Ų3935.9 Ų35.932%0.32219%0.192SC..  trans-64.1149.9174.500000109.8A27A2-A27 HydrophobicContact CB-CB 4.42Å
3M97.7Very high95.2Very high12 Ų1236.1 Ų36.16%0.05919%0.192CC..EExtended strand (participates in β ladder)trans-66.8151.6171-59.9-172.3-172.900109.4L21 T26 A27 Y28 D29 L63 V64 D65 Y79 K83M3-L21 HydrophobicContact SD-CD2 4.12Å; M3-T26 HydrophobicContact CE-CG2 3.65Å; M3-T26 HydrophobicContact CG-CG2 4.18Å; M3-T26 HydrophobicContact SD-CG2 3.71Å; M3-A27 PolarHBondContact N-O 3.33Å; M3-A27 VanDerWaalsContact N-O 3.09Å; M3-Y28 CarbonylContact O-C 3.44Å; M3-Y28 WeakPolarHBondContact O-CA 3.24Å; M3-Y28 WeakPolarHBondContact O-CB 3.41Å; M3-D29 PolarHBondContact O-N 2.96Å; M3-L63 HydrophobicContact CB-CD1 4.09Å; M3-L63 HydrophobicContact SD-CD1 4.43Å; M3-L63 HydrophobicContact SD-CD2 3.98Å; M3-V64 CarbonylContact C-O 3.54Å; M3-V64 WeakPolarHBondContact CA-O 3.31Å; M3-D65 WeakPolarHBondContact CE-OD2 3.43Å; M3-D65 HydrophobicContact CG-CB 4.03Å; M3-D65 HydrophobicContact SD-CB 4.43Å; M3-Y79 HydrophobicContact CE-CE1 4.48Å; M3-K83 HydrophobicContact CE-CD 4.13Å
4V98.5Very high95.5Very high46 Ų4633.5 Ų33.528%0.27918%0.179SC..EExtended strand (participates in β ladder)trans-114.4113.1171.7-177.30000108.9D29 K31 L63 V64V4-D29 WeakPolarHBondContact CA-O 3.48Å; V4-K31 HydrophobicContact CG1-CB 4.24Å; V4-L63 CarbonylContact O-C 3.46Å; V4-L63 WeakPolarHBondContact O-CA 3.31Å; V4-V64 HydrophobicContact CB-CB 4.32Å; V4-V64 PolarHBondContact N-O 3.14Å; V4-V64 PolarHBondContact O-N 3.01Å
5L98.8Very high95.7Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-91.9128169.7174.562.3000108.6A14 V17 R18 L21 Y28 D29 E30 K31 P61 L63L5-A14 HydrophobicContact CD2-CB 4.45Å; L5-V17 HydrophobicContact CD1-CB 4.44Å; L5-V17 HydrophobicContact CD1-CG1 3.9Å; L5-V17 HydrophobicContact CD2-CB 4.17Å; L5-V17 HydrophobicContact CD2-CG1 3.88Å; L5-R18 HydrophobicContact CD2-CG 3.74Å; L5-L21 HydrophobicContact CB-CD1 4.36Å; L5-L21 HydrophobicContact CD2-CD1 4.1Å; L5-Y28 HydrophobicContact CB-CD2 4.29Å; L5-D29 PolarHBondContact N-O 2.71Å; L5-E30 HydrophobicContact CB-CG 4.39Å; L5-E30 CarbonylContact O-C 3.59Å; L5-E30 VanDerWaalsContact O-CA 3.26Å; L5-E30 WeakPolarHBondContact O-CA 3.44Å; L5-K31 PolarHBondContact O-N 3.43Å; L5-P61 HydrophobicContact CD1-CB 4.23Å; L5-L63 HydrophobicContact CB-CD1 4.1Å; L5-L63 HydrophobicContact CD1-CD1 4.47Å
6A98.7Very high95.9Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-121.3132.8177.100000111.8K31 Y33 L60 P61 Y62A6-K31 VanDerWaalsContact CA-O 3.26Å; A6-K31 WeakPolarHBondContact CA-O 3.44Å; A6-K31 HydrophobicContact CB-CB 3.96Å; A6-Y33 HydrophobicContact CB-CE2 4.17Å; A6-L60 HydrophobicContact CB-CD2 4.43Å; A6-P61 VanDerWaalsContact O-CA 3.27Å; A6-P61 WeakPolarHBondContact O-CA 3.37Å; A6-Y62 HydrophobicContact CB-CD1 3.78Å; A6-Y62 HydrophobicContact CB-CD2 3.74Å; A6-Y62 HydrophobicContact CB-CE1 3.33Å; A6-Y62 HydrophobicContact CB-CE2 3.29Å; A6-Y62 HydrophobicContact CB-CG 3.96Å; A6-Y62 WeakPolarHBondContact CB-OH 3.48Å; A6-Y62 PolarHBondContact N-O 2.77Å; A6-Y62 PolarHBondContact O-N 3.39Å; A6-Y62 VanDerWaalsContact O-N 3.15Å
7Y98.8Very high96.1Very high16 Ų1628.4 Ų28.46%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-158.8177.2177.7-162-118.2000111.2I10 L13 A14 K31 F32 Y33 L60 P61Y7-I10 HydrophobicContact CD1-CG1 4.27Å; Y7-I10 HydrophobicContact CE1-CD1 4.05Å; Y7-I10 HydrophobicContact CE1-CG1 3.73Å; Y7-L13 HydrophobicContact CE2-CB 3.98Å; Y7-L13 PolarHBondContact OH-N 2.69Å; Y7-A14 HydrophobicContact CD1-CB 3.5Å; Y7-A14 VanDerWaalsContact CD1-CB 3.5Å; Y7-A14 HydrophobicContact CD2-CB 4.23Å; Y7-A14 HydrophobicContact CE1-CB 4.24Å; Y7-A14 HydrophobicContact CG-CB 3.5Å; Y7-K31 PolarHBondContact N-O 3.11Å; Y7-K31 VanDerWaalsContact N-O 3.11Å; Y7-F32 WeakPolarHBondContact O-CA 3.41Å; Y7-Y33 PolarHBondContact O-N 2.82Å; Y7-L60 HydrophobicContact CD2-CB 3.77Å; Y7-L60 HydrophobicContact CE2-CB 4.01Å; Y7-P61 HydrophobicContact CD2-CB 3.63Å; Y7-P61 HydrophobicContact CD2-CG 4.21Å; Y7-P61 HydrophobicContact CE2-CB 4.32Å; Y7-P61 HydrophobicContact CE2-CG 4.44Å; Y7-P61 HydrophobicContact CG-CB 4.28Å
8W98.5Very high96.2Very high31 Ų3126.8 Ų26.812%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-61.8150.7165.7-62.1111.1000110.9I10 Y33 K43 W46 L60W8-I10 HydrophobicContact CB-CD1 4Å; W8-I10 HydrophobicContact CB-CG1 3.9Å; W8-I10 HydrophobicContact CB-CG2 4.47Å; W8-I10 PolarHBondContact O-N 2.96Å; W8-Y33 CarbonylContact C-O 3.56Å; W8-Y33 VanDerWaalsContact CA-O 3.23Å; W8-Y33 WeakPolarHBondContact CA-O 3.24Å; W8-Y33 VanDerWaalsContact CE3-CB 3.46Å; W8-Y33 VanDerWaalsContact CE3-O 3.32Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.49Å; W8-K43 HydrophobicContact CH2-CB 3.95Å; W8-K43 HydrophobicContact CH2-CD 4.39Å; W8-K43 HydrophobicContact CH2-CG 3.8Å; W8-K43 HydrophobicContact CZ2-CD 4.45Å; W8-K43 HydrophobicContact CZ2-CG 4.34Å; W8-K43 HydrophobicContact CZ3-CG 4.42Å; W8-W46 HydrophobicContact CH2-CB 3.46Å; W8-W46 VanDerWaalsContact CH2-CB 3.46Å; W8-W46 HydrophobicContact CH2-CG 4.03Å; W8-W46 HydrophobicContact CZ2-CB 3.99Å; W8-W46 AromaticContact CZ2-CD1 3.73Å; W8-W46 HydrophobicContact CZ2-CG 4.04Å; W8-W46 HydrophobicContact CZ3-CB 4.21Å; W8-L60 HydrophobicContact CD2-CD1 4.06Å; W8-L60 HydrophobicContact CG-CD1 4.38Å; W8-L60 HydrophobicContact CH2-CD1 4.49Å; W8-L60 HydrophobicContact CZ2-CD1 3.77Å
9D97.8Very high96.4Very high59 Ų5925.4 Ų25.432%0.31614%0.136SC..SBendtrans-70.858.1172.5-17119.8000112.1F32 Y33D9-F32 HydrophobicContact CB-CB 4.1Å; D9-F32 HydrophobicContact CB-CD1 4.09Å; D9-F32 HydrophobicContact CB-CG 4.32Å; D9-Y33 PolarHBondContact N-O 3Å
10I98.2Very high96.5Very high11 Ų1124.2 Ų24.26%0.05613%0.13CC..SBendtrans-146.8168.3179.573.6-176.4000108.4Y7 W8 R18 P206 N209Y7-I10 HydrophobicContact CD1-CG1 4.27Å; Y7-I10 HydrophobicContact CE1-CD1 4.05Å; Y7-I10 HydrophobicContact CE1-CG1 3.73Å; W8-I10 HydrophobicContact CB-CD1 4Å; W8-I10 HydrophobicContact CB-CG1 3.9Å; W8-I10 HydrophobicContact CB-CG2 4.47Å; W8-I10 PolarHBondContact O-N 2.96Å; I10-R18 PolarHBondContact O-NH1 3.04Å; I10-R18 PolarHBondContact O-NH2 3.06Å; I10-P206 HydrophobicContact CB-CG 4.04Å; I10-P206 HydrophobicContact CG2-CG 3.71Å; I10-N209 HydrophobicContact CD1-CB 3.81Å; I10-N209 HydrophobicContact CG2-CB 4.46Å
11R98.3Very high96.6Very high0 Ų023 Ų230%012%0.123CC..SBendtrans-64.2-66.3173.1-169.8174.6172.2161.93.6111.4Q15 R18 E161 D164 M168 I203 K204 P206R11-Q15 HydrophobicContact CG-CB 3.54Å; R11-Q15 HydrophobicContact CG-CG 3.57Å; R11-Q15 PolarHBondContact O-N 3.22Å; R11-R18 PolarHBondContact O-NH1 2.55Å; R11-E161 WeakPolarHBondContact CD-OE1 3.37Å; R11-E161 WeakPolarHBondContact CG-OE1 3.43Å; R11-E161 IonicContact CZ-OE1 2.78Å; R11-E161 IonicContact CZ-OE2 3.66Å; R11-E161 VanDerWaalsContact CZ-OE2 3.25Å; R11-E161 IonicContact NE-OE1 2.68Å; R11-E161 PolarHBondContact NE-OE1 2.72Å; R11-E161 IonicContact NE-OE2 2.68Å; R11-E161 PolarHBondContact NE-OE2 3.18Å; R11-E161 IonicContact NH2-OE1 3.25Å; R11-E161 IonicContact NH2-OE2 3.36Å; R11-E161 PolarHBondContact NH2-OE2 2.88Å; R11-D164 IonicContact CZ-OD2 2.98Å; R11-D164 IonicContact NH1-OD2 2.72Å; R11-D164 PolarHBondContact NH1-OD2 3.34Å; R11-D164 IonicContact NH2-OD2 3.62Å; R11-D164 PolarHBondContact NH2-OD2 2.74Å; R11-M168 PolarHBondContact NH1-SD 3.26Å; R11-I203 HydrophobicContact CB-CG2 4.2Å; R11-K204 WeakPolarHBondContact CD-O 3.46Å; R11-P206 WeakPolarHBondContact CB-O 3.42Å; R11-P206 PolarHBondContact N-O 2.81Å
12G97.6Very high98.1Very high4 Ų413.9 Ų13.94%0.0418%0.078CC..G310 helixtrans43.7-143.4168.800000116.8A14 V207G12-A14 VanDerWaalsContact C-N 3.27Å; G12-A14 PolarHBondContact O-N 2.89Å; G12-V207 WeakPolarHBondContact CA-O 3.48Å; G12-V207 PolarHBondContact N-O 3.34Å
13L98.4Very high98.5Very high38 Ų3815 Ų1520%0.1998%0.075CC..G310 helixtrans-70.4-19.8-178.5-81.4166000114.3Y7 P16 P61 R108Y7-L13 HydrophobicContact CE2-CB 3.98Å; Y7-L13 PolarHBondContact OH-N 2.69Å; L13-P16 WeakPolarHBondContact O-CD 3.47Å; L13-P61 HydrophobicContact CB-CG 4.31Å; L13-R108 VanDerWaalsContact CG-CZ 3.46Å; L13-R108 VanDerWaalsContact CG-NH2 3.34Å
14A98.6Very high98.6Very high0 Ų015.4 Ų15.40%08%0.078CC..G310 helixtrans-83.9-18.5-174.300000112.8L5 Y7 G12 V17 R18 P61L5-A14 HydrophobicContact CD2-CB 4.45Å; Y7-A14 HydrophobicContact CD1-CB 3.5Å; Y7-A14 VanDerWaalsContact CD1-CB 3.5Å; Y7-A14 HydrophobicContact CD2-CB 4.23Å; Y7-A14 HydrophobicContact CE1-CB 4.24Å; Y7-A14 HydrophobicContact CG-CB 3.5Å; G12-A14 VanDerWaalsContact C-N 3.27Å; G12-A14 PolarHBondContact O-N 2.89Å; A14-V17 WeakPolarHBondContact O-CA 3.34Å; A14-V17 VanDerWaalsContact O-CB 3.29Å; A14-V17 WeakPolarHBondContact O-CB 3.15Å; A14-V17 PolarHBondContact O-N 3.17Å; A14-R18 WeakPolarHBondContact O-CG 3.4Å; A14-R18 PolarHBondContact O-N 3.37Å; A14-P61 HydrophobicContact CB-CB 4.46Å
15Q98.7Very high98.6Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-58.9-42.5-175-168.6661200114.6R11 V17 R18 L19 E161R11-Q15 HydrophobicContact CG-CB 3.54Å; R11-Q15 HydrophobicContact CG-CG 3.57Å; R11-Q15 PolarHBondContact O-N 3.22Å; Q15-V17 PolarHBondContact O-N 3.34Å; Q15-R18 PolarHBondContact O-N 3.49Å; Q15-L19 HydrophobicContact CG-CD1 4.17Å; Q15-L19 HydrophobicContact CG-CG 4.43Å; Q15-L19 VanDerWaalsContact O-CG 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.47Å; Q15-L19 PolarHBondContact O-N 2.51Å; Q15-E161 HydrophobicContact CB-CG 4.36Å; Q15-E161 WeakPolarHBondContact CG-OE2 3.45Å
16P98.8Very high98.5Very high14 Ų1416.8 Ų16.89%0.09110%0.097CC..Hα-helixtrans-58.6-36.8172.8-2434.9000112.5L13 L20 M77 V158 E161L13-P16 WeakPolarHBondContact O-CD 3.47Å; P16-L20 WeakPolarHBondContact O-CB 3.41Å; P16-L20 PolarHBondContact O-N 3.36Å; P16-M77 VanDerWaalsContact C-SD 3.51Å; P16-M77 HydrophobicContact CB-CE 3.78Å; P16-M77 HydrophobicContact CB-SD 4.02Å; P16-V158 HydrophobicContact CB-CG2 4.28Å; P16-E161 HydrophobicContact CG-CB 3.8Å; P16-E161 HydrophobicContact CG-CG 3.87Å
17V98.9Very high98.4Very high0 Ų020.2 Ų20.20%013%0.125CC..Hα-helixtrans-67.1-45.9178-175.10000110.6L5 A14 Q15 L20 L21 I76 M77 I80L5-V17 HydrophobicContact CD1-CB 4.44Å; L5-V17 HydrophobicContact CD1-CG1 3.9Å; L5-V17 HydrophobicContact CD2-CB 4.17Å; L5-V17 HydrophobicContact CD2-CG1 3.88Å; A14-V17 WeakPolarHBondContact O-CA 3.34Å; A14-V17 VanDerWaalsContact O-CB 3.29Å; A14-V17 WeakPolarHBondContact O-CB 3.15Å; A14-V17 PolarHBondContact O-N 3.17Å; Q15-V17 PolarHBondContact O-N 3.34Å; V17-L20 PolarHBondContact O-N 3.02Å; V17-L21 HydrophobicContact CG1-CD1 3.92Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-L21 VanDerWaalsContact O-CG 3.32Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.28Å; V17-I76 HydrophobicContact CB-CG2 4.45Å; V17-I76 HydrophobicContact CG1-CG2 3.6Å; V17-I76 HydrophobicContact CG2-CB 4.5Å; V17-I76 HydrophobicContact CG2-CG2 3.92Å; V17-M77 VanDerWaalsContact CA-SD 3.52Å; V17-M77 HydrophobicContact CB-SD 4.17Å; V17-M77 HydrophobicContact CG2-CG 4.08Å; V17-M77 HydrophobicContact CG2-SD 3.73Å; V17-M77 PolarHBondContact N-SD 3.11Å; V17-I80 HydrophobicContact CG1-CD1 3.75Å
18R98.9Very high98.4Very high0 Ų021 Ų210%013%0.128CC..Hα-helixtrans-58.2-50175.7-63.8176.9-177.4129.61.8111.4L5 I10 R11 A14 Q15 L20 L21 E22 E30L5-R18 HydrophobicContact CD2-CG 3.74Å; I10-R18 PolarHBondContact O-NH1 3.04Å; I10-R18 PolarHBondContact O-NH2 3.06Å; R11-R18 PolarHBondContact O-NH1 2.55Å; A14-R18 WeakPolarHBondContact O-CG 3.4Å; A14-R18 PolarHBondContact O-N 3.37Å; Q15-R18 PolarHBondContact O-N 3.49Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.34Å; R18-L21 PolarHBondContact O-N 3.24Å; R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 VanDerWaalsContact O-CG 3.23Å; R18-E22 WeakPolarHBondContact O-CG 3.49Å; R18-E22 PolarHBondContact O-N 3.46Å; R18-E30 WeakPolarHBondContact CD-OE1 3.36Å; R18-E30 VanDerWaalsContact CG-OE1 3.27Å; R18-E30 WeakPolarHBondContact CG-OE1 3.43Å; R18-E30 IonicContact CZ-OE2 2.63Å; R18-E30 VanDerWaalsContact NE-CD 3.33Å; R18-E30 IonicContact NE-OE1 3.94Å; R18-E30 PolarHBondContact NE-OE1 3.09Å; R18-E30 VanDerWaalsContact NE-OE1 3.08Å; R18-E30 IonicContact NE-OE2 3.98Å; R18-E30 PolarHBondContact NE-OE2 3.46Å; R18-E30 IonicContact NH2-OE2 3.62Å; R18-E30 PolarHBondContact NH2-OE2 3.36Å; R18-E30 VanDerWaalsContact NH2-OE2 3.1Å
19L98.9Very high98.4Very high0 Ų024.4 Ų24.40%015%0.149CC..Hα-helixtrans-57.6-41.6177.5-68.9166.2000111.6Q15 Y23 F157 Y160 F187 I193 Y196 M197Q15-L19 HydrophobicContact CG-CD1 4.17Å; Q15-L19 HydrophobicContact CG-CG 4.43Å; Q15-L19 VanDerWaalsContact O-CG 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.47Å; Q15-L19 PolarHBondContact O-N 2.51Å; L19-Y23 VanDerWaalsContact O-CB 3.29Å; L19-Y23 WeakPolarHBondContact O-CB 3.3Å; L19-Y23 PolarHBondContact O-N 3.06Å; L19-F157 HydrophobicContact CB-CD1 3.74Å; L19-F157 HydrophobicContact CB-CE1 4.37Å; L19-F157 WeakPolarHBondContact O-CE1 3.26Å; L19-Y160 HydrophobicContact CD1-CD1 3.63Å; L19-Y160 HydrophobicContact CD1-CE1 3.92Å; L19-F187 HydrophobicContact CD1-CE1 4.27Å; L19-F187 HydrophobicContact CD1-CZ 4.41Å; L19-F187 HydrophobicContact CD2-CE1 4.36Å; L19-I193 HydrophobicContact CB-CD1 4.3Å; L19-I193 HydrophobicContact CD2-CD1 4.1Å; L19-I193 HydrophobicContact CD2-CG2 4.31Å; L19-I193 WeakPolarHBondContact O-CD1 3.37Å; L19-Y196 HydrophobicContact CD2-CD1 3.83Å; L19-Y196 HydrophobicContact CD2-CE1 3.8Å; L19-Y196 HydrophobicContact CG-CE1 4.38Å; L19-M197 HydrophobicContact CD2-CE 4.1Å
20L98.9Very high98.4Very high0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-69.9-40.2179.1-175.162.6000112.7P16 V17 R18 Y23 T24 M77 I80 L86 F154 F157P16-L20 WeakPolarHBondContact O-CB 3.41Å; P16-L20 PolarHBondContact O-N 3.36Å; V17-L20 PolarHBondContact O-N 3.02Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.34Å; L20-Y23 PolarHBondContact O-N 2.97Å; L20-T24 HydrophobicContact CD1-CG2 4.18Å; L20-T24 WeakPolarHBondContact O-CB 3.2Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.49Å; L20-T24 PolarHBondContact O-N 2.97Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L20-M77 HydrophobicContact CB-CE 4.06Å; L20-M77 HydrophobicContact CB-SD 4.16Å; L20-M77 HydrophobicContact CD2-CE 3.75Å; L20-M77 HydrophobicContact CD2-SD 3.76Å; L20-M77 HydrophobicContact CG-CE 4.47Å; L20-I80 HydrophobicContact CD2-CB 3.84Å; L20-I80 HydrophobicContact CD2-CG2 3.78Å; L20-I80 HydrophobicContact CG-CB 4.41Å; L20-I80 HydrophobicContact CG-CG2 3.81Å; L20-L86 HydrophobicContact CD1-CD1 3.78Å; L20-F154 HydrophobicContact CD2-CB 4.12Å; L20-F157 HydrophobicContact CB-CD1 3.96Å; L20-F157 HydrophobicContact CB-CE1 4.28Å; L20-F157 HydrophobicContact CB-CG 4.3Å; L20-F157 HydrophobicContact CD1-CD1 4.26Å; L20-F157 HydrophobicContact CD1-CD2 3.98Å; L20-F157 HydrophobicContact CD1-CE1 4.07Å; L20-F157 HydrophobicContact CD1-CE2 3.76Å; L20-F157 HydrophobicContact CD1-CG 4.26Å; L20-F157 HydrophobicContact CD1-CZ 3.83Å
21L98.8Very high98.4Very high0 Ų026.4 Ų26.40%016%0.155CC..Hα-helixtrans-61.9-45.3174.8-72.1167.4000111M3 L5 V17 R18 T24 G25 T26 Y28 I80M3-L21 HydrophobicContact SD-CD2 4.12Å; L5-L21 HydrophobicContact CB-CD1 4.36Å; L5-L21 HydrophobicContact CD2-CD1 4.1Å; V17-L21 HydrophobicContact CG1-CD1 3.92Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-L21 VanDerWaalsContact O-CG 3.32Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.28Å; R18-L21 PolarHBondContact O-N 3.24Å; L21-T24 PolarHBondContact O-N 2.92Å; L21-T24 PolarHBondContact O-OG1 2.71Å; L21-G25 PolarHBondContact O-N 2.84Å; L21-T26 HydrophobicContact CD2-CG2 3.67Å; L21-T26 PolarHBondContact O-N 2.87Å; L21-Y28 HydrophobicContact CB-CD1 3.82Å; L21-Y28 HydrophobicContact CB-CE1 3.87Å; L21-Y28 HydrophobicContact CB-CG 4.24Å; L21-Y28 HydrophobicContact CD1-CD1 4.19Å; L21-Y28 HydrophobicContact CD1-CD2 3.6Å; L21-Y28 HydrophobicContact CD1-CE2 3.96Å; L21-Y28 HydrophobicContact CD1-CG 3.72Å; L21-Y28 HydrophobicContact CG-CD1 4.48Å; L21-Y28 HydrophobicContact CG-CG 4.42Å; L21-I80 HydrophobicContact CD2-CD1 3.73Å; L21-I80 HydrophobicContact CD2-CG1 4.22Å; L21-I80 HydrophobicContact CD2-CG2 4.47Å; L21-I80 HydrophobicContact CG-CD1 3.94Å
22E98.8Very high98.4Very high22 Ų2230.4 Ų30.410%0.10317%0.173CC..Hα-helixtrans-63.3-47.2176.3-66.8-76168.400111.4R18 T24 G25 Y28 Y196 R201R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 VanDerWaalsContact O-CG 3.23Å; R18-E22 WeakPolarHBondContact O-CG 3.49Å; R18-E22 PolarHBondContact O-N 3.46Å; E22-T24 PolarHBondContact O-N 2.87Å; E22-G25 PolarHBondContact O-N 3.22Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.46Å; E22-Y28 PolarHBondContact OE1-OH 3.26Å; E22-Y196 HydrophobicContact CB-CD1 4.26Å; E22-Y196 HydrophobicContact CB-CD2 4.44Å; E22-Y196 HydrophobicContact CB-CG 4.02Å; E22-Y196 VanDerWaalsContact CD-CD2 3.4Å; E22-Y196 HydrophobicContact CG-CD1 3.92Å; E22-Y196 HydrophobicContact CG-CD2 3.5Å; E22-Y196 HydrophobicContact CG-CE1 4.21Å; E22-Y196 HydrophobicContact CG-CE2 3.85Å; E22-Y196 HydrophobicContact CG-CG 3.55Å; E22-R201 VanDerWaalsContact CD-NH2 3.28Å; E22-R201 IonicContact OE1-CZ 2.55Å; E22-R201 IonicContact OE1-NE 2.86Å; E22-R201 PolarHBondContact OE1-NE 3.34Å; E22-R201 IonicContact OE1-NH2 3.27Å; E22-R201 PolarHBondContact OE1-NH2 2.67Å; E22-R201 IonicContact OE2-CZ 2.87Å; E22-R201 IonicContact OE2-NH2 2.71Å; E22-R201 PolarHBondContact OE2-NH2 2.88Å
23Y98.9Very high98.4Very high62 Ų6230.6 Ų30.624%0.24317%0.172CC..Hα-helixtrans-60.7-41.5177.1177.7-98.8000113.1L19 L20 G25 L86 I152 F157 L190 K192 I193L19-Y23 VanDerWaalsContact O-CB 3.29Å; L19-Y23 WeakPolarHBondContact O-CB 3.3Å; L19-Y23 PolarHBondContact O-N 3.06Å; L20-Y23 PolarHBondContact O-N 2.97Å; Y23-G25 PolarHBondContact O-N 3.43Å; Y23-L86 HydrophobicContact CD1-CD1 4.35Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.49Å; Y23-I152 HydrophobicContact CE1-CG2 4.11Å; Y23-I152 VanDerWaalsContact OH-CG2 3.31Å; Y23-I152 WeakPolarHBondContact OH-CG2 3.3Å; Y23-F157 HydrophobicContact CD1-CE1 4.29Å; Y23-F157 HydrophobicContact CD1-CE2 4.39Å; Y23-F157 AromaticContact CD1-CZ 3.52Å; Y23-F157 HydrophobicContact CD1-CZ 3.52Å; Y23-F157 HydrophobicContact CD2-CZ 4.07Å; Y23-F157 HydrophobicContact CE1-CZ 4.18Å; Y23-F157 AromaticContact CG-CE1 3.88Å; Y23-F157 HydrophobicContact CG-CE1 3.88Å; Y23-F157 AromaticContact CG-CZ 3.46Å; Y23-F157 HydrophobicContact CG-CZ 3.46Å; Y23-F157 VanDerWaalsContact CG-CZ 3.46Å; Y23-L190 HydrophobicContact CD2-CD1 4.13Å; Y23-L190 HydrophobicContact CE2-CD1 3.93Å; Y23-L190 HydrophobicContact CE2-CD2 4.32Å; Y23-K192 WeakPolarHBondContact O-CD 3.34Å; Y23-K192 PolarHBondContact O-NZ 2.64Å; Y23-I193 HydrophobicContact CD2-CG1 4.38Å
24T98.6Very high98.3Very high21 Ų2132.7 Ų32.713%0.12919%0.187CC..Hα-helixtrans-73.8-14.7177.654.60000112.2L20 L21 E22 T26 I80 H84 L86 K192L20-T24 HydrophobicContact CD1-CG2 4.18Å; L20-T24 WeakPolarHBondContact O-CB 3.2Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.49Å; L20-T24 PolarHBondContact O-N 2.97Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 PolarHBondContact O-N 2.92Å; L21-T24 PolarHBondContact O-OG1 2.71Å; E22-T24 PolarHBondContact O-N 2.87Å; T24-T26 PolarHBondContact OG1-OG1 3.49Å; T24-I80 HydrophobicContact CG2-CG2 4.33Å; T24-H84 HydrophobicContact CG2-CB 4.04Å; T24-H84 VanDerWaalsContact CG2-CD2 3.41Å; T24-H84 WeakPolarHBondContact CG2-CD2 3.5Å; T24-L86 HydrophobicContact CG2-CD1 3.9Å; T24-K192 PolarHBondContact O-NZ 3.01Å
25G97.9Very high98.2Very high53 Ų5332.9 Ų32.955%0.54619%0.188SC..THydrogen-bonded Turntrans67.323.6-17200000112.3L21 E22 Y23 A27L21-G25 PolarHBondContact O-N 2.84Å; E22-G25 PolarHBondContact O-N 3.22Å; Y23-G25 PolarHBondContact O-N 3.43Å; G25-A27 PolarHBondContact O-N 3.27Å
26T97.6Very high98.1Very high22 Ų2233.9 Ų33.914%0.13520%0.199CC..  trans-70.6126.1179-64.70000108.9M3 L21 T24 Y28 H84M3-T26 HydrophobicContact CE-CG2 3.65Å; M3-T26 HydrophobicContact CG-CG2 4.18Å; M3-T26 HydrophobicContact SD-CG2 3.71Å; L21-T26 HydrophobicContact CD2-CG2 3.67Å; L21-T26 PolarHBondContact O-N 2.87Å; T24-T26 PolarHBondContact OG1-OG1 3.49Å; T26-Y28 WeakPolarHBondContact O-CD1 3.49Å; T26-Y28 PolarHBondContact O-N 3.03Å; T26-H84 PolarHBondContact OG1-NE2 3.36Å
27A97Very high97.9Very high72 Ų7239.7 Ų39.760%0.59522%0.224SC*.  trans-68.9123.5173.600000110.2A2 M3 G25A2-A27 HydrophobicContact CB-CB 4.42Å; M3-A27 PolarHBondContact N-O 3.33Å; M3-A27 VanDerWaalsContact N-O 3.09Å; G25-A27 PolarHBondContact O-N 3.27Å
28Y98.4Very high97.7Very high32 Ų3242.5 Ų42.513%0.12525%0.248CC..EExtended strand (participates in β ladder)trans-145.6151.1179.175.1-68.6000111.3M3 L5 L21 E22 T26 E30M3-Y28 CarbonylContact O-C 3.44Å; M3-Y28 WeakPolarHBondContact O-CA 3.24Å; M3-Y28 WeakPolarHBondContact O-CB 3.41Å; L5-Y28 HydrophobicContact CB-CD2 4.29Å; L21-Y28 HydrophobicContact CB-CD1 3.82Å; L21-Y28 HydrophobicContact CB-CE1 3.87Å; L21-Y28 HydrophobicContact CB-CG 4.24Å; L21-Y28 HydrophobicContact CD1-CD1 4.19Å; L21-Y28 HydrophobicContact CD1-CD2 3.6Å; L21-Y28 HydrophobicContact CD1-CE2 3.96Å; L21-Y28 HydrophobicContact CD1-CG 3.72Å; L21-Y28 HydrophobicContact CG-CD1 4.48Å; L21-Y28 HydrophobicContact CG-CG 4.42Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.46Å; E22-Y28 PolarHBondContact OE1-OH 3.26Å; T26-Y28 WeakPolarHBondContact O-CD1 3.49Å; T26-Y28 PolarHBondContact O-N 3.03Å; Y28-E30 HydrophobicContact CD2-CG 3.88Å; Y28-E30 HydrophobicContact CE2-CG 3.51Å; Y28-E30 WeakPolarHBondContact CE2-OE1 3.45Å
29D98.1Very high97.5Very high103 Ų10347.6 Ų47.655%0.55128%0.281SS*.EExtended strand (participates in β ladder)trans-104.6153.2164.9-64.6-49.3000109.2M3 V4 L5M3-D29 PolarHBondContact O-N 2.96Å; V4-D29 WeakPolarHBondContact CA-O 3.48Å; L5-D29 PolarHBondContact N-O 2.71Å
30E97.6Very high97.4Very high45 Ų4554.3 Ų54.321%0.2132%0.317CS..EExtended strand (participates in β ladder)trans-110.5131.5172.4-73-159.8-140.400112.1L5 R18 Y28 F32L5-E30 HydrophobicContact CB-CG 4.39Å; L5-E30 CarbonylContact O-C 3.59Å; L5-E30 VanDerWaalsContact O-CA 3.26Å; L5-E30 WeakPolarHBondContact O-CA 3.44Å; R18-E30 WeakPolarHBondContact CD-OE1 3.36Å; R18-E30 VanDerWaalsContact CG-OE1 3.27Å; R18-E30 WeakPolarHBondContact CG-OE1 3.43Å; R18-E30 IonicContact CZ-OE2 2.63Å; R18-E30 VanDerWaalsContact NE-CD 3.33Å; R18-E30 IonicContact NE-OE1 3.94Å; R18-E30 PolarHBondContact NE-OE1 3.09Å; R18-E30 VanDerWaalsContact NE-OE1 3.08Å; R18-E30 IonicContact NE-OE2 3.98Å; R18-E30 PolarHBondContact NE-OE2 3.46Å; R18-E30 IonicContact NH2-OE2 3.62Å; R18-E30 PolarHBondContact NH2-OE2 3.36Å; R18-E30 VanDerWaalsContact NH2-OE2 3.1Å; Y28-E30 HydrophobicContact CD2-CG 3.88Å; Y28-E30 HydrophobicContact CE2-CG 3.51Å; Y28-E30 WeakPolarHBondContact CE2-OE1 3.45Å; E30-F32 HydrophobicContact CB-CD2 4.39Å; E30-F32 HydrophobicContact CB-CE1 4.41Å; E30-F32 HydrophobicContact CB-CE2 3.73Å; E30-F32 HydrophobicContact CB-CZ 3.75Å; E30-F32 HydrophobicContact CG-CZ 4.3Å; E30-F32 WeakPolarHBondContact OE2-CE1 3.32Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.45Å
31K98Very high97.2Very high67 Ų6757.9 Ų57.929%0.29133%0.331SS..EExtended strand (participates in β ladder)trans-101.9115.9166.7-177.3177.4-179.91770109.4V4 L5 A6 Y7 Y33 E49V4-K31 HydrophobicContact CG1-CB 4.24Å; L5-K31 PolarHBondContact O-N 3.43Å; A6-K31 VanDerWaalsContact CA-O 3.26Å; A6-K31 WeakPolarHBondContact CA-O 3.44Å; A6-K31 HydrophobicContact CB-CB 3.96Å; Y7-K31 PolarHBondContact N-O 3.11Å; Y7-K31 VanDerWaalsContact N-O 3.11Å; K31-Y33 HydrophobicContact CD-CE2 4.31Å; K31-Y33 VanDerWaalsContact CE-CZ 3.5Å; K31-Y33 WeakPolarHBondContact CE-OH 3.47Å; K31-Y33 HydrophobicContact CG-CE2 4.44Å; K31-Y33 PolarHBondContact NZ-OH 2.89Å; K31-E49 IonicContact NZ-OE1 2.73Å; K31-E49 IonicContact NZ-OE2 3.63Å; K31-E49 PolarHBondContact NZ-OE2 3.49Å
32F98.2Very high97.2Very high84 Ų8462 Ų6237%0.36835%0.353SS..EExtended strand (participates in β ladder)trans-96.5133.4177.7-66.6-68.8000111.9Y7 D9 E30 I203Y7-F32 WeakPolarHBondContact O-CA 3.41Å; D9-F32 HydrophobicContact CB-CB 4.1Å; D9-F32 HydrophobicContact CB-CD1 4.09Å; D9-F32 HydrophobicContact CB-CG 4.32Å; E30-F32 HydrophobicContact CB-CD2 4.39Å; E30-F32 HydrophobicContact CB-CE1 4.41Å; E30-F32 HydrophobicContact CB-CE2 3.73Å; E30-F32 HydrophobicContact CB-CZ 3.75Å; E30-F32 HydrophobicContact CG-CZ 4.3Å; E30-F32 WeakPolarHBondContact OE2-CE1 3.32Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.45Å; F32-I203 HydrophobicContact CE1-CD1 3.61Å; F32-I203 HydrophobicContact CZ-CD1 3.78Å
33Y98.3Very high97.1Very high7 Ų764.3 Ų64.33%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-102.4139.2163.6-64.9-78.8000109.1A6 Y7 W8 D9 K31 C45 W46 E49 L60 Y62A6-Y33 HydrophobicContact CB-CE2 4.17Å; Y7-Y33 PolarHBondContact O-N 2.82Å; W8-Y33 CarbonylContact C-O 3.56Å; W8-Y33 VanDerWaalsContact CA-O 3.23Å; W8-Y33 WeakPolarHBondContact CA-O 3.24Å; W8-Y33 VanDerWaalsContact CE3-CB 3.46Å; W8-Y33 VanDerWaalsContact CE3-O 3.32Å; W8-Y33 VanDerWaalsContact CZ3-CB 3.49Å; D9-Y33 PolarHBondContact N-O 3Å; K31-Y33 HydrophobicContact CD-CE2 4.31Å; K31-Y33 VanDerWaalsContact CE-CZ 3.5Å; K31-Y33 WeakPolarHBondContact CE-OH 3.47Å; K31-Y33 HydrophobicContact CG-CE2 4.44Å; K31-Y33 PolarHBondContact NZ-OH 2.89Å; Y33-C45 HydrophobicContact CD1-CB 4.4Å; Y33-C45 WeakPolarHBondContact CD1-O 3.36Å; Y33-C45 WeakPolarHBondContact CE1-O 2.95Å; Y33-W46 HydrophobicContact CD1-CB 3.98Å; Y33-W46 HydrophobicContact CD2-CE3 4.4Å; Y33-W46 HydrophobicContact CE1-CB 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.08Å; Y33-W46 AromaticContact CE2-CE3 3.82Å; Y33-W46 HydrophobicContact CE2-CE3 3.82Å; Y33-W46 HydrophobicContact CE2-CZ3 4.24Å; Y33-W46 HydrophobicContact CG-CB 4.22Å; Y33-W46 AromaticContact CZ-CE3 3.63Å; Y33-E49 VanDerWaalsContact CE1-OE2 3.31Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.2Å; Y33-E49 PolarHBondContact OH-OE2 2.9Å; Y33-L60 HydrophobicContact CD2-CD1 3.97Å; Y33-L60 HydrophobicContact CD2-CD2 3.84Å; Y33-L60 HydrophobicContact CE2-CD2 3.8Å; Y33-Y62 AromaticContact CE2-CE1 3.94Å; Y33-Y62 HydrophobicContact CE2-CE1 3.94Å; Y33-Y62 PolarHBondContact OH-OH 3.37Å
34T96.6Very high97Very high82 Ų8263.3 Ų63.350%0.50336%0.364SS..  trans-117.1126.2-178.9-53.50000109.7C45T34-C45 PolarHBondContact O-SG 3.34Å
35C96.3Very high96.9Very high4 Ų464.5 Ų64.53%0.02737%0.373CS..PPolyproline II helixtrans-74.3137.2171.9-172.10000109.5D42 N209 K210C35-D42 CarbonylContact C-O 3.49Å; C35-D42 WeakPolarHBondContact CA-O 3.35Å; C35-N209 WeakPolarHBondContact CB-OD1 3.47Å; C35-K210 HydrophobicContact CB-CD 4.45Å; C35-K210 WeakPolarHBondContact O-CE 3.18Å; C35-K210 PolarHBondContact O-NZ 3.05Å
36G96.1Very high96.9Very high22 Ų2263 Ų6323%0.22735%0.351CS..PPolyproline II helixtrans-62.6172.9173.700000113.2D42 K210G36-D42 PolarHBondContact N-O 2.8Å; G36-K210 WeakPolarHBondContact O-CD 3.4Å
37E95.7Very high96.9Very high135 Ų13566.3 Ų66.363%0.63137%0.367SS*.PPolyproline II helixtrans-76.8164.9177.6-61.4-55.815000112.8D40 Y41 K210E37-D40 PolarHBondContact O-N 3.04Å; E37-Y41 PolarHBondContact O-N 3.34Å; E37-K210 WeakPolarHBondContact OE1-CE 3.14Å; E37-K210 IonicContact OE1-NZ 2.66Å; E37-K210 PolarHBondContact OE1-NZ 2.78Å; E37-K210 IonicContact OE2-NZ 3.25Å; E37-K210 PolarHBondContact OE2-NZ 3.49Å
38A94.3Very high96.8Very high59 Ų5967.7 Ų67.749%0.48836%0.364SS..THydrogen-bonded Turntrans-62.8151.1169.700000111.1Y41A38-Y41 HydrophobicContact CB-CE1 3.76Å; A38-Y41 HydrophobicContact CB-CE2 4.24Å; A38-Y41 WeakPolarHBondContact CB-OH 3.31Å
39P94.8Very high96.7Very high107 Ų10769.6 Ų69.670%0.69537%0.374SS*.THydrogen-bonded Turncis-85.6-11.41.634.4-34.9000114.3Y41P39-Y41 WeakPolarHBondContact O-CD2 3.29Å; P39-Y41 WeakPolarHBondContact O-CE2 3.28Å
40D96Very high96.5Very high142 Ų14267.7 Ų67.776%0.75936%0.361SS*.THydrogen-bonded Turntrans-80.7-31-166.6-60.4-31000113E37 D42E37-D40 PolarHBondContact O-N 3.04Å; D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact O-N 3.03Å
41Y96.2Very high96.4Very high75 Ų7571.6 Ų71.629%0.29438%0.379SS..  trans48.450.4-179-56.9-71.4000112.4E37 A38 P39 K43 K210 M211E37-Y41 PolarHBondContact O-N 3.34Å; A38-Y41 HydrophobicContact CB-CE1 3.76Å; A38-Y41 HydrophobicContact CB-CE2 4.24Å; A38-Y41 WeakPolarHBondContact CB-OH 3.31Å; P39-Y41 WeakPolarHBondContact O-CD2 3.29Å; P39-Y41 WeakPolarHBondContact O-CE2 3.28Å; Y41-K43 WeakPolarHBondContact O-CG 3.34Å; Y41-K43 PolarHBondContact O-N 3.42Å; Y41-K210 HydrophobicContact CD1-CB 3.99Å; Y41-K210 HydrophobicContact CE1-CB 3.92Å; Y41-M211 HydrophobicContact CD1-CG 3.66Å; Y41-M211 HydrophobicContact CD1-SD 3.71Å; Y41-M211 HydrophobicContact CD2-CG 3.79Å; Y41-M211 HydrophobicContact CE1-CB 4.5Å; Y41-M211 HydrophobicContact CE1-CG 3.87Å; Y41-M211 HydrophobicContact CE1-SD 4.33Å; Y41-M211 HydrophobicContact CE2-CG 4.01Å; Y41-M211 HydrophobicContact CG-CG 3.6Å; Y41-M211 HydrophobicContact CG-SD 3.87Å
42D97.4Very high96.2Very high85 Ų8576.5 Ų76.546%0.45540%0.401SS..  trans-55.1133.8-174.2178.639.7000112.1C35 G36 D40 S44C35-D42 CarbonylContact C-O 3.49Å; C35-D42 WeakPolarHBondContact CA-O 3.35Å; G36-D42 PolarHBondContact N-O 2.8Å; D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact O-N 3.03Å; D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 2.94Å; D42-S44 PolarHBondContact OD1-OG 3.41Å; D42-S44 PolarHBondContact OD2-OG 3.43Å
43K97.3Very high96Very high72 Ų7274.5 Ų74.531%0.31339%0.394SS..  trans-126.813.8-179.1-70.1167.4-163.5169.40111.7W8 Y41 C45 W46 I47W8-K43 HydrophobicContact CH2-CB 3.95Å; W8-K43 HydrophobicContact CH2-CD 4.39Å; W8-K43 HydrophobicContact CH2-CG 3.8Å; W8-K43 HydrophobicContact CZ2-CD 4.45Å; W8-K43 HydrophobicContact CZ2-CG 4.34Å; W8-K43 HydrophobicContact CZ3-CG 4.42Å; Y41-K43 WeakPolarHBondContact O-CG 3.34Å; Y41-K43 PolarHBondContact O-N 3.42Å; K43-C45 PolarHBondContact O-N 2.92Å; K43-C45 VanDerWaalsContact O-N 3.16Å; K43-W46 PolarHBondContact O-N 3.06Å; K43-I47 HydrophobicContact CB-CD1 3.82Å; K43-I47 HydrophobicContact CB-CG1 4.23Å; K43-I47 WeakPolarHBondContact O-CG1 3.43Å; K43-I47 PolarHBondContact O-N 2.9Å
44S97.4Very high95.9Very high40 Ų4076.7 Ų76.728%0.2842%0.418SS..Hα-helixtrans-47.7-40.9177.562.50000112.2D42 W46 I47 D48D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 2.94Å; D42-S44 PolarHBondContact OD1-OG 3.41Å; D42-S44 PolarHBondContact OD2-OG 3.43Å; S44-W46 PolarHBondContact O-N 2.97Å; S44-I47 PolarHBondContact O-N 3.49Å; S44-I47 VanDerWaalsContact O-N 3.16Å; S44-D48 VanDerWaalsContact O-CB 3.29Å; S44-D48 WeakPolarHBondContact O-CB 3.34Å; S44-D48 VanDerWaalsContact O-CG 3.28Å; S44-D48 PolarHBondContact O-N 2.85Å
45C96.5Very high95.8Very high47 Ų4773.4 Ų73.432%0.31840%0.397SS..Hα-helixtrans-51-32.6177.868.60000114.2Y33 T34 K43Y33-C45 HydrophobicContact CD1-CB 4.4Å; Y33-C45 WeakPolarHBondContact CD1-O 3.36Å; Y33-C45 WeakPolarHBondContact CE1-O 2.95Å; T34-C45 PolarHBondContact O-SG 3.34Å; K43-C45 PolarHBondContact O-N 2.92Å; K43-C45 VanDerWaalsContact O-N 3.16Å
46W97.4Very high95.8Very high22 Ų2280 Ų808%0.08343%0.433CS..Hα-helixtrans-97-46.3174.4166.7-124.8000112.1W8 Y33 K43 S44 D48 E49 K50 L53 L60 Y62W8-W46 HydrophobicContact CH2-CB 3.46Å; W8-W46 VanDerWaalsContact CH2-CB 3.46Å; W8-W46 HydrophobicContact CH2-CG 4.03Å; W8-W46 HydrophobicContact CZ2-CB 3.99Å; W8-W46 AromaticContact CZ2-CD1 3.73Å; W8-W46 HydrophobicContact CZ2-CG 4.04Å; W8-W46 HydrophobicContact CZ3-CB 4.21Å; Y33-W46 HydrophobicContact CD1-CB 3.98Å; Y33-W46 HydrophobicContact CD2-CE3 4.4Å; Y33-W46 HydrophobicContact CE1-CB 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.08Å; Y33-W46 AromaticContact CE2-CE3 3.82Å; Y33-W46 HydrophobicContact CE2-CE3 3.82Å; Y33-W46 HydrophobicContact CE2-CZ3 4.24Å; Y33-W46 HydrophobicContact CG-CB 4.22Å; Y33-W46 AromaticContact CZ-CE3 3.63Å; K43-W46 PolarHBondContact O-N 3.06Å; S44-W46 PolarHBondContact O-N 2.97Å; W46-D48 VanDerWaalsContact C-N 3.26Å; W46-D48 PolarHBondContact O-N 3.34Å; W46-E49 PolarHBondContact O-N 3.36Å; W46-E49 VanDerWaalsContact O-N 3.16Å; W46-K50 HydrophobicContact CD2-CB 3.92Å; W46-K50 HydrophobicContact CE3-CB 3.9Å; W46-K50 HydrophobicContact CH2-CB 3.34Å; W46-K50 HydrophobicContact CZ2-CB 3.33Å; W46-K50 HydrophobicContact CZ2-CD 4.27Å; W46-K50 HydrophobicContact CZ2-CG 4.4Å; W46-K50 HydrophobicContact CZ3-CB 3.63Å; W46-K50 PolarHBondContact O-N 3.14Å; W46-L53 HydrophobicContact CH2-CD1 3.99Å; W46-L53 HydrophobicContact CZ3-CD1 3.49Å; W46-L53 VanDerWaalsContact CZ3-CD1 3.49Å; W46-L60 HydrophobicContact CB-CD1 4.46Å; W46-L60 HydrophobicContact CD2-CD1 3.71Å; W46-L60 HydrophobicContact CD2-CD2 4.46Å; W46-L60 HydrophobicContact CD2-CG 3.99Å; W46-L60 HydrophobicContact CE3-CD1 4.21Å; W46-L60 HydrophobicContact CE3-CD2 4.23Å; W46-L60 HydrophobicContact CE3-CG 4.25Å; W46-L60 HydrophobicContact CG-CD1 3.8Å; W46-L60 HydrophobicContact CH2-CD2 4.28Å; W46-L60 HydrophobicContact CH2-CG 4.21Å; W46-L60 HydrophobicContact CZ2-CG 3.95Å; W46-L60 HydrophobicContact CZ3-CD2 4.13Å; W46-L60 HydrophobicContact CZ3-CG 4.34Å; W46-Y62 HydrophobicContact CH2-CD1 4.15Å; W46-Y62 HydrophobicContact CH2-CE1 4.1Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.64Å; W46-Y62 HydrophobicContact CZ3-CE1 3.64Å
47I96.6Very high95.9Very high91 Ų9186.3 Ų86.347%0.46745%0.454SS..Hα-helixtrans-60.9-37.5-172.9-66.9172.3000111.2K43 S44 E49K43-I47 HydrophobicContact CB-CD1 3.82Å; K43-I47 HydrophobicContact CB-CG1 4.23Å; K43-I47 WeakPolarHBondContact O-CG1 3.43Å; K43-I47 PolarHBondContact O-N 2.9Å; S44-I47 PolarHBondContact O-N 3.49Å; S44-I47 VanDerWaalsContact O-N 3.16Å; I47-E49 VanDerWaalsContact C-N 3.29Å; I47-E49 PolarHBondContact O-N 3.2Å
48D96.6Very high96Very high100 Ų10081.7 Ų81.754%0.53544%0.435SS..THydrogen-bonded Turntrans-77.3-16.8-176.8-63.7-14.6000113.1S44 W46 K52S44-D48 VanDerWaalsContact O-CB 3.29Å; S44-D48 WeakPolarHBondContact O-CB 3.34Å; S44-D48 VanDerWaalsContact O-CG 3.28Å; S44-D48 PolarHBondContact O-N 2.85Å; W46-D48 VanDerWaalsContact C-N 3.26Å; W46-D48 PolarHBondContact O-N 3.34Å; D48-K52 VanDerWaalsContact O-CE 3.31Å; D48-K52 WeakPolarHBondContact O-CE 3.47Å; D48-K52 PolarHBondContact O-NZ 3.06Å
49E94.8Very high96.2Very high72 Ų7282.3 Ų82.334%0.33643%0.43SS..THydrogen-bonded Turntrans-102.6-33-179.3-67-167.4160.400113.6K31 Y33 W46 I47 E51 K52 L53K31-E49 IonicContact NZ-OE1 2.73Å; K31-E49 IonicContact NZ-OE2 3.63Å; K31-E49 PolarHBondContact NZ-OE2 3.49Å; Y33-E49 VanDerWaalsContact CE1-OE2 3.31Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.2Å; Y33-E49 PolarHBondContact OH-OE2 2.9Å; W46-E49 PolarHBondContact O-N 3.36Å; W46-E49 VanDerWaalsContact O-N 3.16Å; I47-E49 VanDerWaalsContact C-N 3.29Å; I47-E49 PolarHBondContact O-N 3.2Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.16Å; E49-E51 VanDerWaalsContact O-N 3.09Å; E49-K52 WeakPolarHBondContact O-CA 3.35Å; E49-K52 WeakPolarHBondContact O-CB 3.44Å; E49-K52 PolarHBondContact O-N 2.78Å; E49-L53 PolarHBondContact O-N 2.83Å
50K93.9Very high96.4Very high63 Ų6377.7 Ų77.727%0.27440%0.4SS..G310 helixtrans-53.4-40.5-162.369.4178-179.4145.50114.9W46 K52 L53 P58W46-K50 HydrophobicContact CD2-CB 3.92Å; W46-K50 HydrophobicContact CE3-CB 3.9Å; W46-K50 HydrophobicContact CH2-CB 3.34Å; W46-K50 HydrophobicContact CZ2-CB 3.33Å; W46-K50 HydrophobicContact CZ2-CD 4.27Å; W46-K50 HydrophobicContact CZ2-CG 4.4Å; W46-K50 HydrophobicContact CZ3-CB 3.63Å; W46-K50 PolarHBondContact O-N 3.14Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 2.86Å; K50-L53 PolarHBondContact O-N 3.27Å; K50-P58 HydrophobicContact CB-CB 4.09Å; K50-P58 HydrophobicContact CG-CB 4.41Å
51E95.3Very high96.5Very high128 Ų12871 Ų7160%0.59836%0.364SS*.G310 helixtrans-75.8-20.2-178.2-55.3-56.4151.400112.2E49 L53E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 3.16Å; E49-E51 VanDerWaalsContact O-N 3.09Å; E51-L53 VanDerWaalsContact C-N 3.35Å
52K95.4Very high96.6Very high170 Ų17067.8 Ų67.874%0.73935%0.352SS*.G310 helixtrans-85.1-10.6-179.4-57171.3-176.7152.70112.5D48 E49 K50 G54D48-K52 VanDerWaalsContact O-CE 3.31Å; D48-K52 WeakPolarHBondContact O-CE 3.47Å; D48-K52 PolarHBondContact O-NZ 3.06Å; E49-K52 WeakPolarHBondContact O-CA 3.35Å; E49-K52 WeakPolarHBondContact O-CB 3.44Å; E49-K52 PolarHBondContact O-N 2.78Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 2.86Å; K52-G54 PolarHBondContact O-N 3.04Å
53L94.1Very high96.7Very high42 Ų4263.8 Ų63.822%0.2233%0.33CS..G310 helixtrans-75.9-12.4-176.7-62.8178.2000113.2W46 E49 K50 E51 I55 Y62 K69W46-L53 HydrophobicContact CH2-CD1 3.99Å; W46-L53 HydrophobicContact CZ3-CD1 3.49Å; W46-L53 VanDerWaalsContact CZ3-CD1 3.49Å; E49-L53 PolarHBondContact O-N 2.83Å; K50-L53 PolarHBondContact O-N 3.27Å; E51-L53 VanDerWaalsContact C-N 3.35Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 HydrophobicContact CB-CD1 3.8Å; L53-I55 HydrophobicContact CB-CG1 3.85Å; L53-I55 HydrophobicContact CD1-CD1 3.96Å; L53-I55 PolarHBondContact O-N 2.66Å; L53-Y62 HydrophobicContact CD1-CD1 4.3Å; L53-Y62 HydrophobicContact CD1-CE1 3.58Å; L53-Y62 HydrophobicContact CD1-CE2 4.46Å; L53-K69 WeakPolarHBondContact O-CE 3.36Å; L53-K69 PolarHBondContact O-NZ 2.89Å
54G94.6Very high96.7Very high52 Ų5262.3 Ų62.354%0.53633%0.327SS..  trans59.145-177.700000111.9K52 K69K52-G54 PolarHBondContact O-N 3.04Å; G54-K69 WeakPolarHBondContact O-CD 3.33Å; G54-K69 PolarHBondContact O-NZ 2.81Å
55I95.6Very high96.7Very high14 Ų1461.7 Ų61.77%0.07232%0.321CS..  trans-103.6135.8174.8-62.9176.2000107L53 F57 P58 Y62 K69 T71L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 HydrophobicContact CB-CD1 3.8Å; L53-I55 HydrophobicContact CB-CG1 3.85Å; L53-I55 HydrophobicContact CD1-CD1 3.96Å; L53-I55 PolarHBondContact O-N 2.66Å; I55-F57 VanDerWaalsContact C-N 3.34Å; I55-F57 PolarHBondContact O-N 3.45Å; I55-P58 WeakPolarHBondContact O-CD 3.17Å; I55-Y62 HydrophobicContact CD1-CD1 4.04Å; I55-Y62 HydrophobicContact CD1-CD2 4.08Å; I55-Y62 HydrophobicContact CD1-CG 3.77Å; I55-K69 HydrophobicContact CG1-CB 4.14Å; I55-K69 HydrophobicContact CG1-CD 4.14Å; I55-T71 HydrophobicContact CD1-CG2 4.45Å; I55-T71 HydrophobicContact CG2-CG2 3.51Å
56D95.9Very high96.7Very high143 Ų14361.3 Ų61.377%0.76533%0.325SS*.SBendtrans-60.1-41.7-175.8-57.6-55.8000113.1
57F97.8Very high96.6Very high154 Ų15468.2 Ų68.268%0.67536%0.363SS*.SBendtrans-126.586.2175.9-54.3-71.6000109.5I55 N59 T71I55-F57 VanDerWaalsContact C-N 3.34Å; I55-F57 PolarHBondContact O-N 3.45Å; F57-N59 PolarHBondContact O-N 2.95Å; F57-N59 VanDerWaalsContact O-N 3.09Å; F57-T71 WeakPolarHBondContact O-CG2 3.41Å; F57-T71 PolarHBondContact O-OG1 2.86Å; F57-T71 VanDerWaalsContact O-OG1 3.04Å
58P97.9Very high96.6Very high37 Ų3771.3 Ų71.324%0.2437%0.369CS..  trans-58113.5-174.8-26.135000112.4K50 I55K50-P58 HydrophobicContact CB-CB 4.09Å; K50-P58 HydrophobicContact CG-CB 4.41Å; I55-P58 WeakPolarHBondContact O-CD 3.17Å
59N98.4Very high96.6Very high72 Ų7270.8 Ų70.839%0.38536%0.362SS..  trans-157.1167.9-178.3-154.6-2.5000111.4F57 T71F57-N59 PolarHBondContact O-N 2.95Å; F57-N59 VanDerWaalsContact O-N 3.09Å; N59-T71 HydrophobicContact CB-CG2 4.27Å; N59-T71 WeakPolarHBondContact O-CG2 3.44Å
60L98.4Very high96.8Very high10 Ų1068.9 Ų68.95%0.05235%0.354CS..SBendtrans-116.1136.3172.9-69171.4000109.9A6 Y7 W8 Y33 W46 Y62A6-L60 HydrophobicContact CB-CD2 4.43Å; Y7-L60 HydrophobicContact CD2-CB 3.77Å; Y7-L60 HydrophobicContact CE2-CB 4.01Å; W8-L60 HydrophobicContact CD2-CD1 4.06Å; W8-L60 HydrophobicContact CG-CD1 4.38Å; W8-L60 HydrophobicContact CH2-CD1 4.49Å; W8-L60 HydrophobicContact CZ2-CD1 3.77Å; Y33-L60 HydrophobicContact CD2-CD1 3.97Å; Y33-L60 HydrophobicContact CD2-CD2 3.84Å; Y33-L60 HydrophobicContact CE2-CD2 3.8Å; W46-L60 HydrophobicContact CB-CD1 4.46Å; W46-L60 HydrophobicContact CD2-CD1 3.71Å; W46-L60 HydrophobicContact CD2-CD2 4.46Å; W46-L60 HydrophobicContact CD2-CG 3.99Å; W46-L60 HydrophobicContact CE3-CD1 4.21Å; W46-L60 HydrophobicContact CE3-CD2 4.23Å; W46-L60 HydrophobicContact CE3-CG 4.25Å; W46-L60 HydrophobicContact CG-CD1 3.8Å; W46-L60 HydrophobicContact CH2-CD2 4.28Å; W46-L60 HydrophobicContact CH2-CG 4.21Å; W46-L60 HydrophobicContact CZ2-CG 3.95Å; W46-L60 HydrophobicContact CZ3-CD2 4.13Å; W46-L60 HydrophobicContact CZ3-CG 4.34Å; L60-Y62 HydrophobicContact CD2-CD1 3.59Å; L60-Y62 HydrophobicContact CD2-CE1 3.69Å
61P98.7Very high97Very high2 Ų266.7 Ų66.71%0.01335%0.346CS..SBendcis-73.2155.5-230.4-33.7000113.1L5 A6 Y7 L13 A14 I76L5-P61 HydrophobicContact CD1-CB 4.23Å; A6-P61 VanDerWaalsContact O-CA 3.27Å; A6-P61 WeakPolarHBondContact O-CA 3.37Å; Y7-P61 HydrophobicContact CD2-CB 3.63Å; Y7-P61 HydrophobicContact CD2-CG 4.21Å; Y7-P61 HydrophobicContact CE2-CB 4.32Å; Y7-P61 HydrophobicContact CE2-CG 4.44Å; Y7-P61 HydrophobicContact CG-CB 4.28Å; L13-P61 HydrophobicContact CB-CG 4.31Å; A14-P61 HydrophobicContact CB-CB 4.46Å; P61-I76 HydrophobicContact CB-CD1 4.19Å; P61-I76 HydrophobicContact CG-CD1 4.12Å
62Y98.8Very high97.2Very high8 Ų865.8 Ų65.83%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-125.5152.2162.767.6-100.8000111.1A6 Y33 W46 L53 I55 L60 V64 I70A6-Y62 HydrophobicContact CB-CD1 3.78Å; A6-Y62 HydrophobicContact CB-CD2 3.74Å; A6-Y62 HydrophobicContact CB-CE1 3.33Å; A6-Y62 HydrophobicContact CB-CE2 3.29Å; A6-Y62 HydrophobicContact CB-CG 3.96Å; A6-Y62 WeakPolarHBondContact CB-OH 3.48Å; A6-Y62 PolarHBondContact N-O 2.77Å; A6-Y62 PolarHBondContact O-N 3.39Å; A6-Y62 VanDerWaalsContact O-N 3.15Å; Y33-Y62 AromaticContact CE2-CE1 3.94Å; Y33-Y62 HydrophobicContact CE2-CE1 3.94Å; Y33-Y62 PolarHBondContact OH-OH 3.37Å; W46-Y62 HydrophobicContact CH2-CD1 4.15Å; W46-Y62 HydrophobicContact CH2-CE1 4.1Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.64Å; W46-Y62 HydrophobicContact CZ3-CE1 3.64Å; L53-Y62 HydrophobicContact CD1-CD1 4.3Å; L53-Y62 HydrophobicContact CD1-CE1 3.58Å; L53-Y62 HydrophobicContact CD1-CE2 4.46Å; I55-Y62 HydrophobicContact CD1-CD1 4.04Å; I55-Y62 HydrophobicContact CD1-CD2 4.08Å; I55-Y62 HydrophobicContact CD1-CG 3.77Å; L60-Y62 HydrophobicContact CD2-CD1 3.59Å; L60-Y62 HydrophobicContact CD2-CE1 3.69Å; Y62-V64 HydrophobicContact CD2-CG2 3.96Å; Y62-V64 HydrophobicContact CE2-CG2 4.02Å; Y62-I70 CarbonylContact C-O 3.46Å; Y62-I70 WeakPolarHBondContact CA-O 3.44Å
63L98.8Very high97.3Very high0 Ų058.2 Ų58.20%031%0.31CS..EExtended strand (participates in β ladder)trans-121.3132.8173.4-172.780.1000109.3M3 V4 L5 K69 I70 I76 Y79 I80M3-L63 HydrophobicContact CB-CD1 4.09Å; M3-L63 HydrophobicContact SD-CD1 4.43Å; M3-L63 HydrophobicContact SD-CD2 3.98Å; V4-L63 CarbonylContact O-C 3.46Å; V4-L63 WeakPolarHBondContact O-CA 3.31Å; L5-L63 HydrophobicContact CB-CD1 4.1Å; L5-L63 HydrophobicContact CD1-CD1 4.47Å; L63-K69 WeakPolarHBondContact O-CA 3.4Å; L63-I70 PolarHBondContact N-O 2.9Å; L63-I70 PolarHBondContact O-N 3.36Å; L63-I76 HydrophobicContact CB-CD1 4.18Å; L63-I76 HydrophobicContact CB-CG1 4.05Å; L63-I76 HydrophobicContact CB-CG2 3.95Å; L63-I76 HydrophobicContact CD2-CG2 4.11Å; L63-I76 HydrophobicContact CG-CG2 4.47Å; L63-Y79 HydrophobicContact CD2-CD1 3.77Å; L63-Y79 HydrophobicContact CD2-CE1 3.98Å; L63-I80 HydrophobicContact CD2-CD1 4.38Å; L63-I80 HydrophobicContact CD2-CG1 4.26Å
64V98.3Very high97.6Very high41 Ų4157.6 Ų57.625%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-110.9129.5170-176.30000109.5M3 V4 Y62 R68 K69M3-V64 CarbonylContact C-O 3.54Å; M3-V64 WeakPolarHBondContact CA-O 3.31Å; V4-V64 HydrophobicContact CB-CB 4.32Å; V4-V64 PolarHBondContact N-O 3.14Å; V4-V64 PolarHBondContact O-N 3.01Å; Y62-V64 HydrophobicContact CD2-CG2 3.96Å; Y62-V64 HydrophobicContact CE2-CG2 4.02Å; V64-R68 WeakPolarHBondContact CA-O 3.27Å; V64-K69 HydrophobicContact CG2-CG 4.39Å
65D97.6Very high97.8Very high27 Ų2757 Ų5714%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-14394.1177.5179.317.7000110.4M3 D67 R68 Y79 K83M3-D65 WeakPolarHBondContact CE-OD2 3.43Å; M3-D65 HydrophobicContact CG-CB 4.03Å; M3-D65 HydrophobicContact SD-CB 4.43Å; D65-D67 PolarHBondContact O-N 3.38Å; D65-R68 PolarHBondContact N-O 3.42Å; D65-R68 WeakPolarHBondContact O-CB 3.13Å; D65-R68 PolarHBondContact O-N 3.35Å; D65-R68 VanDerWaalsContact O-N 3.11Å; D65-Y79 HydrophobicContact CB-CE1 4.21Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.12Å; D65-Y79 PolarHBondContact OD2-OH 2.76Å; D65-K83 IonicContact OD2-NZ 2.71Å; D65-K83 PolarHBondContact OD2-NZ 3.34Å
66G95.4Very high97.9Very high39 Ų3956.4 Ų56.440%0.40229%0.294SS..THydrogen-bonded Turntrans59.6-126.6-166.600000110.3R68G66-R68 VanDerWaalsContact C-N 3.26Å; G66-R68 PolarHBondContact O-N 2.66Å
67D94.9Very high98.1Very high167 Ų16749.7 Ų49.789%0.89326%0.258SS*.THydrogen-bonded Turntrans-77.7-10.5178.4-56.1-41.8000113.4D65D65-D67 PolarHBondContact O-N 3.38Å
68R96.6Very high98.1Very high157 Ų15745 Ų4559%0.59224%0.236SC*.EExtended strand (participates in β ladder)trans-82.2128.6-179.2-67.6178.4179.880.12.7110.2V64 D65 G66 Y79V64-R68 WeakPolarHBondContact CA-O 3.27Å; D65-R68 PolarHBondContact N-O 3.42Å; D65-R68 WeakPolarHBondContact O-CB 3.13Å; D65-R68 PolarHBondContact O-N 3.35Å; D65-R68 VanDerWaalsContact O-N 3.11Å; G66-R68 VanDerWaalsContact C-N 3.26Å; G66-R68 PolarHBondContact O-N 2.66Å; R68-Y79 WeakPolarHBondContact CD-OH 3.34Å
69K97.9Very high98.2Very high89 Ų8944.2 Ų44.239%0.38723%0.228SC..EExtended strand (participates in β ladder)trans-124.8121.7173.8-58.3173.9-173.1173.80108.4L53 G54 I55 L63 V64L53-K69 WeakPolarHBondContact O-CE 3.36Å; L53-K69 PolarHBondContact O-NZ 2.89Å; G54-K69 WeakPolarHBondContact O-CD 3.33Å; G54-K69 PolarHBondContact O-NZ 2.81Å; I55-K69 HydrophobicContact CG1-CB 4.14Å; I55-K69 HydrophobicContact CG1-CD 4.14Å; L63-K69 WeakPolarHBondContact O-CA 3.4Å; V64-K69 HydrophobicContact CG2-CG 4.39Å
70I98.5Very high98.2Very high32 Ų3240.8 Ų40.816%0.16421%0.21CC..EExtended strand (participates in β ladder)trans-128.2126.2-169.7-49.8175.5000108.4Y62 L63 A75 I76 Y79Y62-I70 CarbonylContact C-O 3.46Å; Y62-I70 WeakPolarHBondContact CA-O 3.44Å; L63-I70 PolarHBondContact N-O 2.9Å; L63-I70 PolarHBondContact O-N 3.36Å; I70-A75 HydrophobicContact CG2-CB 4.18Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.77Å; I70-Y79 HydrophobicContact CD1-CD1 3.46Å; I70-Y79 VanDerWaalsContact CD1-CD1 3.46Å; I70-Y79 HydrophobicContact CD1-CD2 3.57Å; I70-Y79 HydrophobicContact CD1-CE1 3.86Å; I70-Y79 HydrophobicContact CD1-CE2 3.97Å; I70-Y79 HydrophobicContact CD1-CG 3.28Å
71T98.5Very high98.2Very high16 Ų1640.3 Ų40.310%0.09821%0.208CC..EExtended strand (participates in β ladder)trans-108.2175.216746.50000110.7I55 F57 N59I55-T71 HydrophobicContact CD1-CG2 4.45Å; I55-T71 HydrophobicContact CG2-CG2 3.51Å; F57-T71 WeakPolarHBondContact O-CG2 3.41Å; F57-T71 PolarHBondContact O-OG1 2.86Å; F57-T71 VanDerWaalsContact O-OG1 3.04Å; N59-T71 HydrophobicContact CB-CG2 4.27Å; N59-T71 WeakPolarHBondContact O-CG2 3.44Å
72Q98.7Very high98.2Very high109 Ų10947.2 Ų47.251%0.50923%0.233SC..SBendtrans72.9118.3-171.3-53.6-67.7-11.100112.6N74 A75 I76Q72-N74 VanDerWaalsContact C-N 3.27Å; Q72-N74 PolarHBondContact O-N 2.94Å; Q72-A75 HydrophobicContact CB-CB 4.05Å; Q72-A75 PolarHBondContact O-N 2.86Å; Q72-A75 VanDerWaalsContact O-N 3.08Å; Q72-I76 WeakPolarHBondContact O-CG1 3.32Å; Q72-I76 PolarHBondContact O-N 2.91Å
73S98.8Very high98.2Very high11 Ų1151.5 Ų51.58%0.07725%0.252CS..Hα-helixtrans-53.6-43.9-177.354.80000112.2I76 M77S73-I76 PolarHBondContact O-N 3.46Å; S73-M77 WeakPolarHBondContact O-CB 3.48Å; S73-M77 WeakPolarHBondContact O-CG 3.23Å; S73-M77 PolarHBondContact O-N 3.5Å
74N98.7Very high98.1Very high29 Ų2955 Ų5516%0.15527%0.268CS..Hα-helixtrans-67-39.4-179.3-71.18.6000112.2Q72 M77 R78 E101 M105Q72-N74 VanDerWaalsContact C-N 3.27Å; Q72-N74 PolarHBondContact O-N 2.94Å; N74-M77 PolarHBondContact O-N 2.87Å; N74-R78 WeakPolarHBondContact O-CB 3.32Å; N74-R78 WeakPolarHBondContact O-CG 3.48Å; N74-R78 PolarHBondContact O-N 2.94Å; N74-E101 HydrophobicContact CB-CG 4.36Å; N74-E101 WeakPolarHBondContact CB-OE1 3.45Å; N74-E101 WeakPolarHBondContact ND2-CG 3.07Å; N74-M105 WeakPolarHBondContact OD1-CE 3.38Å
75A98.9Very high98.1Very high41 Ų4159.3 Ų59.334%0.33929%0.29SS..Hα-helixtrans-66.9-39.6176.200000111.8I70 Q72 R78 Y79I70-A75 HydrophobicContact CG2-CB 4.18Å; Q72-A75 HydrophobicContact CB-CB 4.05Å; Q72-A75 PolarHBondContact O-N 2.86Å; Q72-A75 VanDerWaalsContact O-N 3.08Å; A75-R78 PolarHBondContact O-N 2.96Å; A75-Y79 WeakPolarHBondContact O-CB 3.42Å; A75-Y79 PolarHBondContact O-N 2.96Å
76I98.9Very high98.2Very high0 Ų058.9 Ų58.90%029%0.287CS..Hα-helixtrans-61.6-48.1173.2-66.3167.6000110.4V17 P61 L63 I70 Q72 S73 R78 Y79 I80V17-I76 HydrophobicContact CB-CG2 4.45Å; V17-I76 HydrophobicContact CG1-CG2 3.6Å; V17-I76 HydrophobicContact CG2-CB 4.5Å; V17-I76 HydrophobicContact CG2-CG2 3.92Å; P61-I76 HydrophobicContact CB-CD1 4.19Å; P61-I76 HydrophobicContact CG-CD1 4.12Å; L63-I76 HydrophobicContact CB-CD1 4.18Å; L63-I76 HydrophobicContact CB-CG1 4.05Å; L63-I76 HydrophobicContact CB-CG2 3.95Å; L63-I76 HydrophobicContact CD2-CG2 4.11Å; L63-I76 HydrophobicContact CG-CG2 4.47Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.77Å; Q72-I76 WeakPolarHBondContact O-CG1 3.32Å; Q72-I76 PolarHBondContact O-N 2.91Å; S73-I76 PolarHBondContact O-N 3.46Å; I76-R78 PolarHBondContact O-N 3.48Å; I76-Y79 WeakPolarHBondContact O-CB 3.44Å; I76-Y79 PolarHBondContact O-N 3.17Å; I76-I80 HydrophobicContact CG2-CD1 3.97Å; I76-I80 WeakPolarHBondContact O-CG1 3.46Å; I76-I80 PolarHBondContact O-N 3.48Å
77M98.9Very high98.3Very high2 Ų258.5 Ų58.51%0.0128%0.278CS..Hα-helixtrans-57.7-50.5176.9-71.6-64.1-78.500111.2P16 V17 L20 S73 N74 Y79 I80 A81 F154 F157 V158P16-M77 VanDerWaalsContact C-SD 3.51Å; P16-M77 HydrophobicContact CB-CE 3.78Å; P16-M77 HydrophobicContact CB-SD 4.02Å; V17-M77 VanDerWaalsContact CA-SD 3.52Å; V17-M77 HydrophobicContact CB-SD 4.17Å; V17-M77 HydrophobicContact CG2-CG 4.08Å; V17-M77 HydrophobicContact CG2-SD 3.73Å; V17-M77 PolarHBondContact N-SD 3.11Å; L20-M77 HydrophobicContact CB-CE 4.06Å; L20-M77 HydrophobicContact CB-SD 4.16Å; L20-M77 HydrophobicContact CD2-CE 3.75Å; L20-M77 HydrophobicContact CD2-SD 3.76Å; L20-M77 HydrophobicContact CG-CE 4.47Å; S73-M77 WeakPolarHBondContact O-CB 3.48Å; S73-M77 WeakPolarHBondContact O-CG 3.23Å; S73-M77 PolarHBondContact O-N 3.5Å; N74-M77 PolarHBondContact O-N 2.87Å; M77-Y79 VanDerWaalsContact C-N 3.3Å; M77-Y79 PolarHBondContact O-N 2.74Å; M77-I80 PolarHBondContact O-N 2.89Å; M77-A81 WeakPolarHBondContact O-CB 3.2Å; M77-A81 PolarHBondContact O-N 2.89Å; M77-F154 HydrophobicContact CB-CD2 3.71Å; M77-F154 HydrophobicContact CB-CE2 4.26Å; M77-F154 HydrophobicContact CB-CG 4.41Å; M77-F154 HydrophobicContact CE-CB 4.21Å; M77-F154 HydrophobicContact CE-CD2 4.4Å; M77-F154 WeakPolarHBondContact CE-O 3.45Å; M77-F157 HydrophobicContact CE-CB 3.67Å; M77-F157 HydrophobicContact CE-CG 4.39Å; M77-V158 HydrophobicContact CE-CG2 4.05Å
78R98.9Very high98.5Very high56 Ų5651.1 Ų51.121%0.21124%0.242CC..Hα-helixtrans-61.8-35.7177.3-72.3179.6178.8-995112.5N74 A75 I76 R82 D98 E101 F154N74-R78 WeakPolarHBondContact O-CB 3.32Å; N74-R78 WeakPolarHBondContact O-CG 3.48Å; N74-R78 PolarHBondContact O-N 2.94Å; A75-R78 PolarHBondContact O-N 2.96Å; I76-R78 PolarHBondContact O-N 3.48Å; R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 WeakPolarHBondContact O-CG 3.4Å; R78-R82 PolarHBondContact O-N 3.33Å; R78-D98 IonicContact CZ-OD1 3.21Å; R78-D98 VanDerWaalsContact CZ-OD1 3.27Å; R78-D98 IonicContact NH1-OD1 2.69Å; R78-D98 PolarHBondContact NH1-OD1 2.82Å; R78-D98 IonicContact NH2-OD1 3.79Å; R78-D98 PolarHBondContact NH2-OD1 3.4Å; R78-E101 IonicContact CZ-OE1 2.78Å; R78-E101 IonicContact CZ-OE2 3.37Å; R78-E101 VanDerWaalsContact CZ-OE2 3.25Å; R78-E101 VanDerWaalsContact NE-CD 3.29Å; R78-E101 IonicContact NE-OE1 2.95Å; R78-E101 PolarHBondContact NE-OE1 2.87Å; R78-E101 IonicContact NE-OE2 3.92Å; R78-E101 PolarHBondContact NE-OE2 3.25Å; R78-E101 VanDerWaalsContact NH2-CD 3.31Å; R78-E101 IonicContact NH2-OE1 2.93Å; R78-E101 IonicContact NH2-OE2 3.1Å; R78-E101 PolarHBondContact NH2-OE2 3.27Å; R78-F154 HydrophobicContact CG-CE1 3.81Å; R78-F154 HydrophobicContact CG-CE2 4.01Å; R78-F154 HydrophobicContact CG-CZ 3.5Å; R78-F154 VanDerWaalsContact CG-CZ 3.5Å
79Y98.8Very high98.5Very high21 Ų2148.7 Ų48.78%0.08224%0.237CC..Hα-helixtrans-62.3-50.7176.4172.9-107.1000112M3 L63 D65 R68 I70 A75 I76 M77 K83M3-Y79 HydrophobicContact CE-CE1 4.48Å; L63-Y79 HydrophobicContact CD2-CD1 3.77Å; L63-Y79 HydrophobicContact CD2-CE1 3.98Å; D65-Y79 HydrophobicContact CB-CE1 4.21Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.12Å; D65-Y79 PolarHBondContact OD2-OH 2.76Å; R68-Y79 WeakPolarHBondContact CD-OH 3.34Å; I70-Y79 HydrophobicContact CD1-CD1 3.46Å; I70-Y79 VanDerWaalsContact CD1-CD1 3.46Å; I70-Y79 HydrophobicContact CD1-CD2 3.57Å; I70-Y79 HydrophobicContact CD1-CE1 3.86Å; I70-Y79 HydrophobicContact CD1-CE2 3.97Å; I70-Y79 HydrophobicContact CD1-CG 3.28Å; A75-Y79 WeakPolarHBondContact O-CB 3.42Å; A75-Y79 PolarHBondContact O-N 2.96Å; I76-Y79 WeakPolarHBondContact O-CB 3.44Å; I76-Y79 PolarHBondContact O-N 3.17Å; M77-Y79 VanDerWaalsContact C-N 3.3Å; M77-Y79 PolarHBondContact O-N 2.74Å; Y79-K83 HydrophobicContact CE1-CD 4.42Å; Y79-K83 WeakPolarHBondContact OH-CE 3.42Å; Y79-K83 PolarHBondContact OH-NZ 3.48Å
80I98.7Very high98.5Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-63.4-47177-61.2160.1000109V17 L20 L21 T24 L63 I76 M77 R82 K83 H84V17-I80 HydrophobicContact CG1-CD1 3.75Å; L20-I80 HydrophobicContact CD2-CB 3.84Å; L20-I80 HydrophobicContact CD2-CG2 3.78Å; L20-I80 HydrophobicContact CG-CB 4.41Å; L20-I80 HydrophobicContact CG-CG2 3.81Å; L21-I80 HydrophobicContact CD2-CD1 3.73Å; L21-I80 HydrophobicContact CD2-CG1 4.22Å; L21-I80 HydrophobicContact CD2-CG2 4.47Å; L21-I80 HydrophobicContact CG-CD1 3.94Å; T24-I80 HydrophobicContact CG2-CG2 4.33Å; L63-I80 HydrophobicContact CD2-CD1 4.38Å; L63-I80 HydrophobicContact CD2-CG1 4.26Å; I76-I80 HydrophobicContact CG2-CD1 3.97Å; I76-I80 WeakPolarHBondContact O-CG1 3.46Å; I76-I80 PolarHBondContact O-N 3.48Å; M77-I80 PolarHBondContact O-N 2.89Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.83Å; I80-K83 WeakPolarHBondContact O-CB 3.35Å; I80-K83 PolarHBondContact O-N 2.99Å; I80-H84 PolarHBondContact O-CD2 3.26Å; I80-H84 VanDerWaalsContact O-CD2 3.24Å
81A98.8Very high98.6Very high0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-56.3-42.7-179.200000113.4M77 K83 H84 N85 L86 C87 F154M77-A81 WeakPolarHBondContact O-CB 3.2Å; M77-A81 PolarHBondContact O-N 2.89Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 3.15Å; A81-H84 CarbonylContact O-C 3.55Å; A81-H84 PolarHBondContact O-N 3.48Å; A81-N85 PolarHBondContact O-N 3.04Å; A81-L86 HydrophobicContact CB-CB 3.98Å; A81-L86 PolarHBondContact O-N 3.08Å; A81-C87 VanDerWaalsContact CB-SG 3.53Å; A81-F154 HydrophobicContact CB-CB 3.7Å; A81-F154 HydrophobicContact CB-CD1 3.74Å; A81-F154 HydrophobicContact CB-CG 3.98Å
82R98.8Very high98.6Very high147 Ų14756.5 Ų56.556%0.55528%0.281SS*.Hα-helixtrans-62.5-31.3177.2-78.7-171.8-62.1-91.80.1113.2R78 I80 H84R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 WeakPolarHBondContact O-CG 3.4Å; R78-R82 PolarHBondContact O-N 3.33Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.83Å; R82-H84 PolarHBondContact O-N 3.24Å
83K98Very high98.6Very high98 Ų9852.5 Ų52.543%0.42626%0.263SS..Hα-helixtrans-69.7-17.4175.9-69.3-175.1165.2-164.60113.4M3 D65 Y79 I80 A81M3-K83 HydrophobicContact CE-CD 4.13Å; D65-K83 IonicContact OD2-NZ 2.71Å; D65-K83 PolarHBondContact OD2-NZ 3.34Å; Y79-K83 HydrophobicContact CE1-CD 4.42Å; Y79-K83 WeakPolarHBondContact OH-CE 3.42Å; Y79-K83 PolarHBondContact OH-NZ 3.48Å; I80-K83 WeakPolarHBondContact O-CB 3.35Å; I80-K83 PolarHBondContact O-N 2.99Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 3.15Å
84H98.3Very high98.6Very high72 Ų7256 Ų5633%0.33328%0.276SS..THydrogen-bonded Turntrans-125.512-173.3-61.2-77000113.5T24 T26 I80 A81 R82 L86T24-H84 HydrophobicContact CG2-CB 4.04Å; T24-H84 VanDerWaalsContact CG2-CD2 3.41Å; T24-H84 WeakPolarHBondContact CG2-CD2 3.5Å; T26-H84 PolarHBondContact OG1-NE2 3.36Å; I80-H84 PolarHBondContact O-CD2 3.26Å; I80-H84 VanDerWaalsContact O-CD2 3.24Å; A81-H84 CarbonylContact O-C 3.55Å; A81-H84 PolarHBondContact O-N 3.48Å; R82-H84 PolarHBondContact O-N 3.24Å; H84-L86 HydrophobicContact CB-CD1 3.91Å; H84-L86 HydrophobicContact CB-CG 3.99Å; H84-L86 PolarHBondContact O-N 3Å
85N98Very high98.6Very high132 Ų13258 Ų5871%0.70629%0.289SS*.THydrogen-bonded Turntrans5741.3-177.8-56.6-44.5000114.2A81A81-N85 PolarHBondContact O-N 3.04Å
86L98.7Very high98.6Very high18 Ų1858.9 Ų58.99%0.09428%0.284CS..  trans-10628.2-176.9-59.5174000113.5L20 Y23 T24 A81 H84 I152 T153 F154L20-L86 HydrophobicContact CD1-CD1 3.78Å; Y23-L86 HydrophobicContact CD1-CD1 4.35Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.49Å; T24-L86 HydrophobicContact CG2-CD1 3.9Å; A81-L86 HydrophobicContact CB-CB 3.98Å; A81-L86 PolarHBondContact O-N 3.08Å; H84-L86 HydrophobicContact CB-CD1 3.91Å; H84-L86 HydrophobicContact CB-CG 3.99Å; H84-L86 PolarHBondContact O-N 3Å; L86-I152 HydrophobicContact CD2-CG2 4.34Å; L86-I152 WeakPolarHBondContact CD2-O 3.46Å; L86-T153 VanDerWaalsContact O-CA 3.3Å; L86-T153 WeakPolarHBondContact O-CA 3.32Å; L86-T153 VanDerWaalsContact O-CB 3.3Å; L86-T153 WeakPolarHBondContact O-CB 3.32Å; L86-F154 WeakPolarHBondContact O-CD1 3.26Å; L86-F154 PolarHBondContact O-N 3.21Å
87C98.4Very high98.6Very high31 Ų3158.9 Ų58.921%0.20928%0.284CS..SBendtrans-1064.1-175.6-670000114.9A81A81-C87 VanDerWaalsContact CB-SG 3.53Å
88G97.9Very high98.6Very high12 Ų1262 Ų6212%0.12430%0.301CS..  trans85.6139.7-163.700000111.2
89E98Very high98.6Very high106 Ų10663.1 Ų63.150%0.49531%0.314SS..SBendtrans-101.1-45.6-175.1-64.6176.9-18000110.3E93 K94 K151E89-E93 WeakPolarHBondContact CA-OE2 3.48Å; E89-E93 PolarHBondContact N-OE2 2.97Å; E89-K94 WeakPolarHBondContact O-CE 3.41Å; E89-K94 PolarHBondContact O-NZ 2.87Å; E89-K151 IonicContact OE1-NZ 2.65Å; E89-K151 PolarHBondContact OE1-NZ 3.36Å; E89-K151 IonicContact OE2-NZ 2.64Å; E89-K151 PolarHBondContact OE2-NZ 3.45Å
90T98.6Very high98.6Very high72 Ų7262.2 Ų62.244%0.44231%0.31SS..SBendtrans-85.4162.7178.166.50000112.2D92 E93 K94T90-D92 VanDerWaalsContact C-N 3.33Å; T90-D92 PolarHBondContact O-N 2.92Å; T90-E93 PolarHBondContact N-OE2 3.36Å; T90-E93 PolarHBondContact O-N 3.18Å; T90-E93 WeakPolarHBondContact OG1-CB 3.41Å; T90-E93 VanDerWaalsContact OG1-CG 3.24Å; T90-E93 WeakPolarHBondContact OG1-CG 3.36Å; T90-E93 PolarHBondContact OG1-N 3.37Å; T90-E93 PolarHBondContact OG1-OE2 3.25Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3.43Å
91E98.6Very high98.6Very high128 Ų12862.8 Ų62.860%0.59831%0.313SS*.Hα-helixtrans-60.1-43.9175.2-171.758.6-159.500111.7E93 K94 V95E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.23Å; E91-K94 PolarHBondContact O-N 3.5Å; E91-K94 VanDerWaalsContact O-N 3.17Å; E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.41Å
92D98.6Very high98.6Very high101 Ų10167.3 Ų67.354%0.5434%0.337SS..Hα-helixtrans-60.1-41177.2-79.29.5000112.8T90 R96T90-D92 VanDerWaalsContact C-N 3.33Å; T90-D92 PolarHBondContact O-N 2.92Å; D92-R96 WeakPolarHBondContact O-CG 3.36Å; D92-R96 PolarHBondContact O-N 3.27Å; D92-R96 IonicContact OD2-NH2 2.86Å
93E98.8Very high98.6Very high26 Ų2663.9 Ų63.912%0.12133%0.328CS..Hα-helixtrans-65.8-42.3175.9-74.4170.2154.700111.4E89 T90 E91 R96 V97 A148E89-E93 WeakPolarHBondContact CA-OE2 3.48Å; E89-E93 PolarHBondContact N-OE2 2.97Å; T90-E93 PolarHBondContact N-OE2 3.36Å; T90-E93 PolarHBondContact O-N 3.18Å; T90-E93 WeakPolarHBondContact OG1-CB 3.41Å; T90-E93 VanDerWaalsContact OG1-CG 3.24Å; T90-E93 WeakPolarHBondContact OG1-CG 3.36Å; T90-E93 PolarHBondContact OG1-N 3.37Å; T90-E93 PolarHBondContact OG1-OE2 3.25Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.23Å; E93-R96 PolarHBondContact O-N 3.38Å; E93-V97 WeakPolarHBondContact O-CB 3.4Å; E93-V97 VanDerWaalsContact O-CG2 3.24Å; E93-V97 WeakPolarHBondContact O-CG2 3.33Å; E93-V97 PolarHBondContact O-N 2.64Å; E93-A148 HydrophobicContact CB-CB 4.41Å; E93-A148 HydrophobicContact CG-CB 4.49Å; E93-A148 WeakPolarHBondContact CG-O 3.21Å
94K98.8Very high98.6Very high83 Ų8359.3 Ų59.336%0.36131%0.308SS..Hα-helixtrans-63-43.7177.1-69.1167.5-165.8161.30111.5E89 T90 E91 R96 V97 D98E89-K94 WeakPolarHBondContact O-CE 3.41Å; E89-K94 PolarHBondContact O-NZ 2.87Å; T90-K94 VanDerWaalsContact O-CG 3.31Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3.43Å; E91-K94 PolarHBondContact O-N 3.5Å; E91-K94 VanDerWaalsContact O-N 3.17Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 3.49Å; K94-V97 WeakPolarHBondContact O-CB 3.43Å; K94-V97 PolarHBondContact O-N 2.88Å; K94-D98 WeakPolarHBondContact O-CB 3.47Å; K94-D98 VanDerWaalsContact O-CG 3.29Å; K94-D98 PolarHBondContact O-N 2.83Å
95V98.8Very high98.6Very high71 Ų7157.8 Ų57.843%0.4330%0.301SS..Hα-helixtrans-59.2-45.3174.8170.30000110.7E91 V97 D98 V99E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.41Å; V95-V97 PolarHBondContact O-N 2.81Å; V95-D98 PolarHBondContact O-N 3.36Å; V95-V99 HydrophobicContact CG1-CG2 4.4Å; V95-V99 WeakPolarHBondContact O-CB 3.41Å; V95-V99 WeakPolarHBondContact O-CG2 3.15Å; V95-V99 PolarHBondContact O-N 2.89Å
96R98.9Very high98.6Very high61 Ų6156.4 Ų56.423%0.2329%0.294CS..Hα-helixtrans-62.9-42.8176.8-72.7-179.7-165.5106.615.1112.1D92 E93 K94 L100 F140 A148D92-R96 WeakPolarHBondContact O-CG 3.36Å; D92-R96 PolarHBondContact O-N 3.27Å; D92-R96 IonicContact OD2-NH2 2.86Å; E93-R96 PolarHBondContact O-N 3.38Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 3.49Å; R96-L100 WeakPolarHBondContact O-CB 3.49Å; R96-L100 PolarHBondContact O-N 3.06Å; R96-F140 HydrophobicContact CB-CE1 4.46Å; R96-F140 HydrophobicContact CB-CZ 3.89Å; R96-F140 HydrophobicContact CG-CE2 4.47Å; R96-F140 HydrophobicContact CG-CZ 3.88Å; R96-A148 WeakPolarHBondContact CD-O 3.37Å; R96-A148 PolarHBondContact NH1-O 2.97Å
97V98.9Very high98.6Very high0 Ų056.1 Ų56.10%029%0.292CS..Hα-helixtrans-58.7-49.6175.6163.50000110.6E93 K94 V95 L100 E101 A148 T153 F154 V155E93-V97 WeakPolarHBondContact O-CB 3.4Å; E93-V97 VanDerWaalsContact O-CG2 3.24Å; E93-V97 WeakPolarHBondContact O-CG2 3.33Å; E93-V97 PolarHBondContact O-N 2.64Å; K94-V97 WeakPolarHBondContact O-CB 3.43Å; K94-V97 PolarHBondContact O-N 2.88Å; V95-V97 PolarHBondContact O-N 2.81Å; V97-L100 PolarHBondContact O-N 2.94Å; V97-E101 VanDerWaalsContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CB 3.39Å; V97-E101 PolarHBondContact O-N 3.37Å; V97-A148 HydrophobicContact CG2-CB 3.87Å; V97-T153 HydrophobicContact CG2-CG2 4.21Å; V97-F154 HydrophobicContact CG1-CD1 4.31Å; V97-F154 HydrophobicContact CG1-CE1 3.36Å; V97-F154 HydrophobicContact CG1-CZ 3.68Å; V97-V155 HydrophobicContact CB-CG1 4.42Å; V97-V155 HydrophobicContact CB-CG2 4.47Å; V97-V155 HydrophobicContact CG1-CG1 3.9Å; V97-V155 HydrophobicContact CG2-CG2 3.96Å; V97-V155 WeakPolarHBondContact O-CG1 3.31Å
98D98.9Very high98.6Very high67 Ų6756.3 Ų56.336%0.35829%0.288SS..Hα-helixtrans-67.4-44.6-176.2-69.6-20.3000112R78 K94 V95 N102R78-D98 IonicContact CZ-OD1 3.21Å; R78-D98 VanDerWaalsContact CZ-OD1 3.27Å; R78-D98 IonicContact NH1-OD1 2.69Å; R78-D98 PolarHBondContact NH1-OD1 2.82Å; R78-D98 IonicContact NH2-OD1 3.79Å; R78-D98 PolarHBondContact NH2-OD1 3.4Å; K94-D98 WeakPolarHBondContact O-CB 3.47Å; K94-D98 VanDerWaalsContact O-CG 3.29Å; K94-D98 PolarHBondContact O-N 2.83Å; V95-D98 PolarHBondContact O-N 3.36Å; D98-N102 PolarHBondContact O-N 3.39Å; D98-N102 PolarHBondContact O-ND2 3.16Å
99V98.8Very high98.6Very high79 Ų7959.4 Ų59.448%0.47930%0.302SS..Hα-helixtrans-61.6-48.2176170.10000110.6V95 N102 Q103 F140V95-V99 HydrophobicContact CG1-CG2 4.4Å; V95-V99 WeakPolarHBondContact O-CB 3.41Å; V95-V99 WeakPolarHBondContact O-CG2 3.15Å; V95-V99 PolarHBondContact O-N 2.89Å; V99-N102 PolarHBondContact O-N 3.38Å; V99-Q103 WeakPolarHBondContact O-CB 3.31Å; V99-Q103 PolarHBondContact O-N 2.81Å; V99-F140 HydrophobicContact CG1-CE2 4.49Å
100L98.9Very high98.6Very high3 Ų356 Ų562%0.01630%0.296CS..Hα-helixtrans-69-38.8-175.5-175.862.3000112.5R96 V97 N102 Q103 A104 F137 F140 F147 V155 M159R96-L100 WeakPolarHBondContact O-CB 3.49Å; R96-L100 PolarHBondContact O-N 3.06Å; V97-L100 PolarHBondContact O-N 2.94Å; L100-N102 VanDerWaalsContact C-N 3.27Å; L100-N102 PolarHBondContact O-N 2.9Å; L100-Q103 PolarHBondContact O-N 3.05Å; L100-A104 WeakPolarHBondContact O-CB 3.35Å; L100-A104 PolarHBondContact O-N 2.65Å; L100-F137 HydrophobicContact CD1-CD1 3.95Å; L100-F137 HydrophobicContact CD1-CE1 3.87Å; L100-F140 HydrophobicContact CB-CE1 4.03Å; L100-F140 HydrophobicContact CB-CZ 4.44Å; L100-F140 HydrophobicContact CD1-CD1 4.3Å; L100-F140 HydrophobicContact CD1-CE1 4.26Å; L100-F140 HydrophobicContact CD2-CE1 4.13Å; L100-F140 HydrophobicContact CG-CE1 4.4Å; L100-F147 HydrophobicContact CD1-CD1 4.33Å; L100-F147 HydrophobicContact CD1-CE1 4.5Å; L100-F147 HydrophobicContact CD2-CB 3.25Å; L100-F147 HydrophobicContact CD2-CD1 3.48Å; L100-F147 VanDerWaalsContact CD2-CD1 3.48Å; L100-F147 HydrophobicContact CD2-CD2 4.07Å; L100-F147 HydrophobicContact CD2-CE1 4.29Å; L100-F147 HydrophobicContact CD2-CG 3.33Å; L100-V155 HydrophobicContact CD2-CB 4.08Å; L100-V155 HydrophobicContact CD2-CG2 3.97Å; L100-V155 HydrophobicContact CG-CB 4.44Å; L100-M159 HydrophobicContact CD1-CE 4.44Å; L100-M159 HydrophobicContact CD1-CG 3.88Å; L100-M159 HydrophobicContact CD1-SD 3.72Å; L100-M159 HydrophobicContact CD2-CG 3.73Å; L100-M159 HydrophobicContact CG-CG 3.89Å; L100-M159 HydrophobicContact CG-SD 4.22Å
101E98.8Very high98.6Very high11 Ų1152.6 Ų52.65%0.05128%0.275CS..Hα-helixtrans-56.7-44.5176.5-176-169.1-121.700111.3N74 R78 V97 M105 F154 V155N74-E101 HydrophobicContact CB-CG 4.36Å; N74-E101 WeakPolarHBondContact CB-OE1 3.45Å; N74-E101 WeakPolarHBondContact ND2-CG 3.07Å; R78-E101 IonicContact CZ-OE1 2.78Å; R78-E101 IonicContact CZ-OE2 3.37Å; R78-E101 VanDerWaalsContact CZ-OE2 3.25Å; R78-E101 VanDerWaalsContact NE-CD 3.29Å; R78-E101 IonicContact NE-OE1 2.95Å; R78-E101 PolarHBondContact NE-OE1 2.87Å; R78-E101 IonicContact NE-OE2 3.92Å; R78-E101 PolarHBondContact NE-OE2 3.25Å; R78-E101 VanDerWaalsContact NH2-CD 3.31Å; R78-E101 IonicContact NH2-OE1 2.93Å; R78-E101 IonicContact NH2-OE2 3.1Å; R78-E101 PolarHBondContact NH2-OE2 3.27Å; V97-E101 VanDerWaalsContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CB 3.39Å; V97-E101 PolarHBondContact O-N 3.37Å; E101-M105 PolarHBondContact O-N 2.97Å; E101-M105 VanDerWaalsContact O-N 3.16Å; E101-F154 HydrophobicContact CG-CE2 4.14Å; E101-F154 HydrophobicContact CG-CZ 4.44Å; E101-F154 WeakPolarHBondContact OE1-CE2 3.4Å; E101-F154 WeakPolarHBondContact OE1-CZ 3.23Å; E101-V155 HydrophobicContact CB-CG1 3.92Å
102N98.8Very high98.5Very high95 Ų9548.1 Ų48.151%0.50826%0.256SS..Hα-helixtrans-72.6-44.9-179.4-72.3-78000111.4D98 V99 L100 A104 M105 D106D98-N102 PolarHBondContact O-N 3.39Å; D98-N102 PolarHBondContact O-ND2 3.16Å; V99-N102 PolarHBondContact O-N 3.38Å; L100-N102 VanDerWaalsContact C-N 3.27Å; L100-N102 PolarHBondContact O-N 2.9Å; N102-A104 VanDerWaalsContact C-N 3.29Å; N102-A104 PolarHBondContact O-N 2.86Å; N102-M105 WeakPolarHBondContact O-CB 3.26Å; N102-M105 PolarHBondContact O-N 2.93Å; N102-M105 VanDerWaalsContact O-N 3.1Å; N102-D106 PolarHBondContact O-N 3.4Å
103Q98.8Very high98.5Very high76 Ų7651.9 Ų51.936%0.35526%0.262SS..Hα-helixtrans-62.5-37.6177.2-171.46330.600112.3V99 L100 M105 D106 F107 F137V99-Q103 WeakPolarHBondContact O-CB 3.31Å; V99-Q103 PolarHBondContact O-N 2.81Å; L100-Q103 PolarHBondContact O-N 3.05Å; Q103-M105 VanDerWaalsContact C-N 3.33Å; Q103-D106 PolarHBondContact O-N 3.28Å; Q103-F107 WeakPolarHBondContact O-CB 3.42Å; Q103-F107 PolarHBondContact O-N 3.31Å; Q103-F137 HydrophobicContact CB-CE1 4.35Å; Q103-F137 HydrophobicContact CG-CE1 3.67Å; Q103-F137 HydrophobicContact CG-CZ 3.9Å
104A98.6Very high98.4Very high1 Ų150.9 Ų50.91%0.00826%0.258CS..Hα-helixtrans-63.6-39.5174.500000111.5L100 N102 F107 R108 V158 M159 L162L100-A104 WeakPolarHBondContact O-CB 3.35Å; L100-A104 PolarHBondContact O-N 2.65Å; N102-A104 VanDerWaalsContact C-N 3.29Å; N102-A104 PolarHBondContact O-N 2.86Å; A104-F107 PolarHBondContact O-N 2.95Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.78Å; A104-V158 HydrophobicContact CB-CG1 3.78Å; A104-M159 HydrophobicContact CB-SD 3.67Å; A104-L162 HydrophobicContact CB-CD1 3.66Å; A104-L162 WeakPolarHBondContact O-CD1 3.48Å
105M98.4Very high98.4Very high41 Ų4147 Ų4720%0.20224%0.241CC..Hα-helixtrans-65.6-41.3176-172.756.966.300112N74 E101 N102 Q103 R108 N109N74-M105 WeakPolarHBondContact OD1-CE 3.38Å; E101-M105 PolarHBondContact O-N 2.97Å; E101-M105 VanDerWaalsContact O-N 3.16Å; N102-M105 WeakPolarHBondContact O-CB 3.26Å; N102-M105 PolarHBondContact O-N 2.93Å; N102-M105 VanDerWaalsContact O-N 3.1Å; Q103-M105 VanDerWaalsContact C-N 3.33Å; M105-R108 WeakPolarHBondContact O-CB 3.11Å; M105-R108 PolarHBondContact O-N 2.69Å; M105-N109 WeakPolarHBondContact O-CB 3.14Å; M105-N109 PolarHBondContact O-N 3.3Å; M105-N109 PolarHBondContact O-ND2 3.49Å
106D98.7Very high98.3Very high102 Ų10247.4 Ų47.455%0.54524%0.235SC..Hα-helixtrans-63.4-44.9175.3-75.4-18.8000111.9N102 Q103 R108 N109 G110N102-D106 PolarHBondContact O-N 3.4Å; Q103-D106 PolarHBondContact O-N 3.28Å; D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.37Å; D106-N109 PolarHBondContact O-N 2.78Å; D106-G110 PolarHBondContact O-N 2.84Å
107F98.6Very high98.1Very high12 Ų1247.4 Ų47.45%0.05324%0.242CC..Hα-helixtrans-59.1-45.9175.4-178.5-137.8000111.6Q103 A104 N109 G110 F111 Y126 L130 T133 L134 F137 L162 H166Q103-F107 WeakPolarHBondContact O-CB 3.42Å; Q103-F107 PolarHBondContact O-N 3.31Å; A104-F107 PolarHBondContact O-N 2.95Å; F107-N109 PolarHBondContact O-N 3.08Å; F107-G110 PolarHBondContact O-N 3.49Å; F107-F111 PolarHBondContact O-N 2.85Å; F107-F111 VanDerWaalsContact O-N 3.09Å; F107-Y126 WeakPolarHBondContact CE2-OH 3.48Å; F107-L130 HydrophobicContact CE2-CD1 3.75Å; F107-L130 HydrophobicContact CZ-CD1 3.71Å; F107-T133 HydrophobicContact CD2-CG2 3.8Å; F107-T133 HydrophobicContact CE2-CG2 3.95Å; F107-T133 HydrophobicContact CG-CG2 4.43Å; F107-L134 HydrophobicContact CZ-CD2 4.31Å; F107-F137 HydrophobicContact CB-CE2 4.12Å; F107-F137 HydrophobicContact CB-CZ 3.96Å; F107-F137 AromaticContact CD1-CE2 3.54Å; F107-F137 HydrophobicContact CD1-CE2 3.54Å; F107-F137 HydrophobicContact CD1-CZ 4.04Å; F107-F137 HydrophobicContact CD2-CE2 4.37Å; F107-F137 AromaticContact CE1-CE2 3.95Å; F107-F137 HydrophobicContact CE1-CE2 3.95Å; F107-F137 AromaticContact CG-CE2 3.77Å; F107-F137 HydrophobicContact CG-CE2 3.77Å; F107-F137 HydrophobicContact CG-CZ 4.13Å; F107-L162 HydrophobicContact CD1-CB 4.23Å; F107-L162 HydrophobicContact CD1-CD1 4.15Å; F107-L162 HydrophobicContact CE1-CB 4.32Å; F107-H166 AromaticContact CE1-CE1 3.38Å; F107-H166 WeakPolarHBondContact CE1-CE1 3.16Å; F107-H166 AromaticContact CE1-ND1 3.61Å; F107-H166 AromaticContact CE1-NE2 3.9Å; F107-H166 AromaticContact CE2-CE1 3.76Å; F107-H166 AromaticContact CE2-NE2 3.49Å; F107-H166 WeakPolarHBondContact CE2-NE2 3.15Å; F107-H166 AromaticContact CZ-CD2 3.6Å; F107-H166 AromaticContact CZ-CE1 3.15Å; F107-H166 WeakPolarHBondContact CZ-CE1 3.49Å; F107-H166 AromaticContact CZ-CG 3.83Å; F107-H166 AromaticContact CZ-ND1 3.58Å; F107-H166 AromaticContact CZ-NE2 3.16Å; F107-H166 WeakPolarHBondContact CZ-NE2 3.38Å
108R98.3Very high97.9Very high36 Ų3652.4 Ų52.414%0.13627%0.269CS..Hα-helixtrans-58-48.1174.7-172.3-174.8170.9-76.7-14.2112.2L13 A104 M105 D106 G110 F111 V112 L162L13-R108 VanDerWaalsContact CG-CZ 3.46Å; L13-R108 VanDerWaalsContact CG-NH2 3.34Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.78Å; M105-R108 WeakPolarHBondContact O-CB 3.11Å; M105-R108 PolarHBondContact O-N 2.69Å; D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.37Å; R108-G110 VanDerWaalsContact C-N 3.29Å; R108-G110 PolarHBondContact O-N 2.99Å; R108-F111 PolarHBondContact O-N 2.85Å; R108-F111 VanDerWaalsContact O-N 3.16Å; R108-V112 HydrophobicContact CG-CG2 4.28Å; R108-V112 WeakPolarHBondContact O-CG2 3.36Å; R108-V112 PolarHBondContact O-N 3.1Å; R108-L162 HydrophobicContact CB-CD1 4.38Å; R108-L162 HydrophobicContact CB-CD2 3.58Å; R108-L162 HydrophobicContact CG-CD2 3.7Å
109N97.6Very high97.7Very high77 Ų7749.9 Ų49.941%0.41226%0.255SS..Hα-helixtrans-63.9-37-177.8-72.8-23.4000111.6M105 D106 F107 R113M105-N109 WeakPolarHBondContact O-CB 3.14Å; M105-N109 PolarHBondContact O-N 3.3Å; M105-N109 PolarHBondContact O-ND2 3.49Å; D106-N109 PolarHBondContact O-N 2.78Å; F107-N109 PolarHBondContact O-N 3.08Å; N109-R113 WeakPolarHBondContact O-CB 3.27Å; N109-R113 PolarHBondContact O-N 3.49Å
110G97.7Very high97.6Very high35 Ų3553.3 Ų53.336%0.36127%0.265SS..Hα-helixtrans-58.3-48.6170.300000112.4D106 F107 R108 R113 L114D106-G110 PolarHBondContact O-N 2.84Å; F107-G110 PolarHBondContact O-N 3.49Å; R108-G110 VanDerWaalsContact C-N 3.29Å; R108-G110 PolarHBondContact O-N 2.99Å; G110-R113 PolarHBondContact O-N 2.85Å; G110-L114 PolarHBondContact O-N 3.09Å; G110-L114 VanDerWaalsContact O-N 3.14Å
111F98.3Very high97.5Very high0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-65.9-42.3179-171.7-124.6000113.1F107 R108 R113 L114 C115 Y126 Q165 H166 F169 W214F107-F111 PolarHBondContact O-N 2.85Å; F107-F111 VanDerWaalsContact O-N 3.09Å; R108-F111 PolarHBondContact O-N 2.85Å; R108-F111 VanDerWaalsContact O-N 3.16Å; F111-R113 PolarHBondContact O-N 3.46Å; F111-L114 HydrophobicContact CD2-CD2 4.39Å; F111-L114 HydrophobicContact CE2-CD2 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.4Å; F111-L114 PolarHBondContact O-N 3.17Å; F111-C115 PolarHBondContact O-N 3.15Å; F111-C115 PolarHBondContact O-SG 3.15Å; F111-Y126 WeakPolarHBondContact CB-OH 3.21Å; F111-Y126 AromaticContact CD2-CE1 3.92Å; F111-Y126 HydrophobicContact CD2-CE1 3.92Å; F111-Y126 AromaticContact CD2-CZ 3.81Å; F111-Q165 HydrophobicContact CE1-CB 4.26Å; F111-H166 AromaticContact CD2-NE2 3.67Å; F111-H166 AromaticContact CG-CE1 3.81Å; F111-H166 AromaticContact CG-NE2 3.76Å; F111-F169 HydrophobicContact CE2-CB 4.12Å; F111-F169 AromaticContact CE2-CD1 3.72Å; F111-F169 HydrophobicContact CE2-CD1 3.72Å; F111-F169 AromaticContact CE2-CD2 3.9Å; F111-F169 HydrophobicContact CE2-CD2 3.9Å; F111-F169 HydrophobicContact CE2-CE1 4.04Å; F111-F169 HydrophobicContact CE2-CE2 4.21Å; F111-F169 AromaticContact CE2-CG 3.63Å; F111-F169 HydrophobicContact CE2-CG 3.63Å; F111-F169 HydrophobicContact CE2-CZ 4.27Å; F111-F169 HydrophobicContact CZ-CB 3.84Å; F111-F169 HydrophobicContact CZ-CD1 4.32Å; F111-F169 HydrophobicContact CZ-CD2 4.06Å; F111-F169 AromaticContact CZ-CG 3.82Å; F111-F169 HydrophobicContact CZ-CG 3.82Å; F111-W214 HydrophobicContact CE1-CE3 4.11Å; F111-W214 HydrophobicContact CE1-CH2 4.39Å; F111-W214 AromaticContact CE1-CZ3 3.61Å; F111-W214 HydrophobicContact CE1-CZ3 3.61Å; F111-W214 HydrophobicContact CZ-CD2 4.46Å; F111-W214 AromaticContact CZ-CE3 3.67Å; F111-W214 HydrophobicContact CZ-CE3 3.67Å; F111-W214 HydrophobicContact CZ-CH2 4.02Å; F111-W214 AromaticContact CZ-CZ3 3.41Å; F111-W214 HydrophobicContact CZ-CZ3 3.41Å; F111-W214 VanDerWaalsContact CZ-CZ3 3.41Å
112V97.3Very high97.4Very high34 Ų3463.5 Ų63.521%0.20631%0.312CS..Hα-helixtrans-62-44.2175.8169.10000110.5R108 L114 C115 Y116R108-V112 HydrophobicContact CG-CG2 4.28Å; R108-V112 WeakPolarHBondContact O-CG2 3.36Å; R108-V112 PolarHBondContact O-N 3.1Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.34Å; V112-C115 PolarHBondContact O-N 3.39Å; V112-C115 VanDerWaalsContact O-N 3.08Å; V112-Y116 HydrophobicContact CG1-CD2 3.85Å; V112-Y116 HydrophobicContact CG1-CE2 4.08Å; V112-Y116 WeakPolarHBondContact O-CD2 3.48Å; V112-Y116 PolarHBondContact O-N 3.5Å; V112-Y116 VanDerWaalsContact O-N 3.08Å
113R97.1Very high97.4Very high180 Ų18062 Ų6268%0.67930%0.301SS*.Hα-helixtrans-57-44.9176.2-178.6-177.5174.3-156.4-0.6111.3N109 G110 F111 C115 Y116 T117N109-R113 WeakPolarHBondContact O-CB 3.27Å; N109-R113 PolarHBondContact O-N 3.49Å; G110-R113 PolarHBondContact O-N 2.85Å; F111-R113 PolarHBondContact O-N 3.46Å; R113-C115 VanDerWaalsContact C-N 3.34Å; R113-C115 PolarHBondContact O-N 2.88Å; R113-Y116 PolarHBondContact O-N 2.96Å; R113-T117 HydrophobicContact CG-CG2 4.39Å; R113-T117 WeakPolarHBondContact O-CB 3.34Å; R113-T117 WeakPolarHBondContact O-CG2 3.46Å; R113-T117 PolarHBondContact O-N 2.96Å; R113-T117 PolarHBondContact O-OG1 3.3Å
114L97.7Very high97.3Very high5 Ų562.3 Ų62.33%0.02631%0.31CS..Hα-helixtrans-57-48.7174.5171.365.6000111.1G110 F111 V112 Y116 F119 L122 K123 Y126 F169G110-L114 PolarHBondContact O-N 3.09Å; G110-L114 VanDerWaalsContact O-N 3.14Å; F111-L114 HydrophobicContact CD2-CD2 4.39Å; F111-L114 HydrophobicContact CE2-CD2 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.4Å; F111-L114 PolarHBondContact O-N 3.17Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.34Å; L114-Y116 VanDerWaalsContact C-N 3.31Å; L114-Y116 PolarHBondContact O-N 2.92Å; L114-F119 HydrophobicContact CD1-CD2 4.02Å; L114-F119 HydrophobicContact CD2-CE2 4.39Å; L114-F119 HydrophobicContact CG-CD2 3.85Å; L114-F119 HydrophobicContact CG-CE2 4.17Å; L114-L122 HydrophobicContact CD1-CB 3.61Å; L114-K123 HydrophobicContact CD1-CB 4.22Å; L114-Y126 HydrophobicContact CB-CD2 4.43Å; L114-Y126 HydrophobicContact CD2-CD1 3.7Å; L114-Y126 HydrophobicContact CD2-CD2 4.06Å; L114-Y126 HydrophobicContact CD2-CE1 4.29Å; L114-Y126 HydrophobicContact CD2-CG 3.57Å; L114-F169 HydrophobicContact CD2-CE1 4.29Å; L114-F169 HydrophobicContact CD2-CE2 4.37Å; L114-F169 HydrophobicContact CD2-CZ 3.71Å
115C97.9Very high97.3Very high0 Ų064.2 Ų64.20%033%0.33CS..Hα-helixtrans-67.8-23.8-174.4-66.70000114.5F111 V112 R113 A212 K213F111-C115 PolarHBondContact O-N 3.15Å; F111-C115 PolarHBondContact O-SG 3.15Å; V112-C115 PolarHBondContact O-N 3.39Å; V112-C115 VanDerWaalsContact O-N 3.08Å; R113-C115 VanDerWaalsContact C-N 3.34Å; R113-C115 PolarHBondContact O-N 2.88Å; C115-A212 CarbonylContact O-C 3.58Å; C115-K213 PolarHBondContact O-N 3.28Å
116Y97.4Very high97.3Very high81 Ų8164.1 Ų64.132%0.31833%0.327SS..Hα-helixtrans-110.93.7-174.4-76.6-95.8000114.7V112 R113 L114 N208 N209 M211 A212V112-Y116 HydrophobicContact CG1-CD2 3.85Å; V112-Y116 HydrophobicContact CG1-CE2 4.08Å; V112-Y116 WeakPolarHBondContact O-CD2 3.48Å; V112-Y116 PolarHBondContact O-N 3.5Å; V112-Y116 VanDerWaalsContact O-N 3.08Å; R113-Y116 PolarHBondContact O-N 2.96Å; L114-Y116 VanDerWaalsContact C-N 3.31Å; L114-Y116 PolarHBondContact O-N 2.92Å; Y116-N208 HydrophobicContact CE2-CB 4.04Å; Y116-N208 WeakPolarHBondContact CE2-OD1 3.42Å; Y116-N209 PolarHBondContact OH-N 3.4Å; Y116-M211 HydrophobicContact CE1-CB 4.41Å; Y116-M211 HydrophobicContact CE1-CE 3.98Å; Y116-A212 HydrophobicContact CD1-CB 4.05Å; Y116-A212 HydrophobicContact CD2-CB 4.15Å; Y116-A212 HydrophobicContact CE1-CB 3.74Å; Y116-A212 HydrophobicContact CE2-CB 3.86Å; Y116-A212 HydrophobicContact CG-CB 4.27Å
117T95.5Very high97.2Very high61 Ų6161.3 Ų61.337%0.37431%0.312SS..SBendtrans-122.9-135.9-17863.90000111.8R113 F119 L122R113-T117 HydrophobicContact CG-CG2 4.39Å; R113-T117 WeakPolarHBondContact O-CB 3.34Å; R113-T117 WeakPolarHBondContact O-CG2 3.46Å; R113-T117 PolarHBondContact O-N 2.96Å; R113-T117 PolarHBondContact O-OG1 3.3Å; T117-F119 PolarHBondContact O-N 3.25Å; T117-L122 WeakPolarHBondContact OG1-CD1 3.27Å
118D93Very high97Very high105 Ų10565 Ų6556%0.56134%0.34SS*.SBendtrans-78.762.1-179.2-66.6-28000111.1E120 K121 L122D118-E120 PolarHBondContact O-N 2.94Å; D118-K121 HydrophobicContact CB-CB 4.1Å; D118-K121 PolarHBondContact O-N 3.09Å; D118-L122 HydrophobicContact CB-CD1 4.38Å; D118-L122 HydrophobicContact CB-CG 4.31Å; D118-L122 WeakPolarHBondContact O-CG 3.2Å; D118-L122 PolarHBondContact O-N 3.42Å
119F96.1Very high97Very high14 Ų1466.7 Ų66.76%0.06136%0.357CS..Hα-helixtrans-49.5-52.3-169.6177.7-96.2000113.9L114 T117 K121 L122 K123 F169 K213 W214L114-F119 HydrophobicContact CD1-CD2 4.02Å; L114-F119 HydrophobicContact CD2-CE2 4.39Å; L114-F119 HydrophobicContact CG-CD2 3.85Å; L114-F119 HydrophobicContact CG-CE2 4.17Å; T117-F119 PolarHBondContact O-N 3.25Å; F119-K121 VanDerWaalsContact C-N 3.28Å; F119-K121 PolarHBondContact O-N 3.22Å; F119-L122 PolarHBondContact O-N 3.23Å; F119-K123 HydrophobicContact CE1-CD 3.92Å; F119-K123 HydrophobicContact CZ-CD 3.89Å; F119-K123 WeakPolarHBondContact O-CB 3.47Å; F119-K123 PolarHBondContact O-N 2.74Å; F119-F169 AromaticContact CE2-CE2 3.65Å; F119-F169 HydrophobicContact CE2-CE2 3.65Å; F119-F169 HydrophobicContact CE2-CZ 4.35Å; F119-F169 AromaticContact CZ-CE2 3.66Å; F119-F169 HydrophobicContact CZ-CE2 3.66Å; F119-F169 HydrophobicContact CZ-CZ 4.49Å; F119-K213 HydrophobicContact CB-CB 3.54Å; F119-K213 HydrophobicContact CB-CG 3.98Å; F119-K213 HydrophobicContact CD1-CB 4.44Å; F119-K213 HydrophobicContact CD2-CB 4.49Å; F119-K213 HydrophobicContact CG-CB 3.94Å; F119-W214 HydrophobicContact CD2-CB 4.1Å; F119-W214 HydrophobicContact CE1-CB 4.44Å; F119-W214 HydrophobicContact CE2-CB 3.44Å; F119-W214 VanDerWaalsContact CE2-CB 3.44Å; F119-W214 HydrophobicContact CE2-CG 4.02Å; F119-W214 HydrophobicContact CZ-CB 3.62Å; F119-W214 AromaticContact CZ-CD1 3.93Å; F119-W214 AromaticContact CZ-CG 3.95Å; F119-W214 HydrophobicContact CZ-CG 3.95Å
120E96Very high97Very high150 Ų15063.2 Ų63.270%0.70134%0.338SS*.Hα-helixtrans-62.1-35.3-178.5-65.3-56143.500112.8D118D118-E120 PolarHBondContact O-N 2.94Å
121K97.3Very high97Very high164 Ų16464.3 Ų64.371%0.71333%0.334SS*.Hα-helixtrans-75.3-38.8179.2-178.3-179.1174.7-176.30112D118 F119D118-K121 HydrophobicContact CB-CB 4.1Å; D118-K121 PolarHBondContact O-N 3.09Å; F119-K121 VanDerWaalsContact C-N 3.28Å; F119-K121 PolarHBondContact O-N 3.22Å
122L97.4Very high97Very high64 Ų6466.4 Ų66.434%0.33536%0.356SS..Hα-helixtrans-88.6-24.7-172.8-64178.1000113.2L114 T117 D118 F119 G125 Y126L114-L122 HydrophobicContact CD1-CB 3.61Å; T117-L122 WeakPolarHBondContact OG1-CD1 3.27Å; D118-L122 HydrophobicContact CB-CD1 4.38Å; D118-L122 HydrophobicContact CB-CG 4.31Å; D118-L122 WeakPolarHBondContact O-CG 3.2Å; D118-L122 PolarHBondContact O-N 3.42Å; F119-L122 PolarHBondContact O-N 3.23Å; L122-G125 PolarHBondContact O-N 3.44Å; L122-Y126 PolarHBondContact O-N 3.36Å
123K97.7Very high97.1Very high63 Ų6366.4 Ų66.427%0.27436%0.356SS..Hα-helixtrans-54-45.3-176.1175.3172.9-174.2-176.60113.9L114 F119 G125 Y126 L127 F169L114-K123 HydrophobicContact CD1-CB 4.22Å; F119-K123 HydrophobicContact CE1-CD 3.92Å; F119-K123 HydrophobicContact CZ-CD 3.89Å; F119-K123 WeakPolarHBondContact O-CB 3.47Å; F119-K123 PolarHBondContact O-N 2.74Å; K123-G125 PolarHBondContact O-N 2.98Å; K123-Y126 PolarHBondContact O-N 3.34Å; K123-L127 HydrophobicContact CG-CD1 3.96Å; K123-L127 HydrophobicContact CG-CG 4.31Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 3.32Å; K123-F169 HydrophobicContact CD-CE2 4.33Å; K123-F169 HydrophobicContact CD-CZ 4.15Å; K123-F169 HydrophobicContact CG-CZ 4.03Å
124P97.7Very high97.2Very high83 Ų8357.8 Ų57.854%0.53932%0.323SS..Hα-helixtrans-59.8-43.6179-25.235.5000113.3L127 S128P124-L127 PolarHBondContact O-N 2.87Å; P124-S128 PolarHBondContact O-N 3.11Å
125G97.6Very high97.2Very high42 Ų4262.4 Ų62.443%0.43334%0.343SS..Hα-helixtrans-71-30.8178.300000113.4L122 K123 S128 S129L122-G125 PolarHBondContact O-N 3.44Å; K123-G125 PolarHBondContact O-N 2.98Å; G125-S128 PolarHBondContact O-OG 3.07Å; G125-S129 PolarHBondContact O-N 2.83Å; G125-S129 PolarHBondContact O-OG 2.78Å
126Y97.9Very high97.3Very high38 Ų3868 Ų6815%0.14937%0.369CS..Hα-helixtrans-65.6-48.6171.2-172.7-92000111.2F107 F111 L114 L122 K123 S128 S129 L130 H166 F169F107-Y126 WeakPolarHBondContact CE2-OH 3.48Å; F111-Y126 WeakPolarHBondContact CB-OH 3.21Å; F111-Y126 AromaticContact CD2-CE1 3.92Å; F111-Y126 HydrophobicContact CD2-CE1 3.92Å; F111-Y126 AromaticContact CD2-CZ 3.81Å; L114-Y126 HydrophobicContact CB-CD2 4.43Å; L114-Y126 HydrophobicContact CD2-CD1 3.7Å; L114-Y126 HydrophobicContact CD2-CD2 4.06Å; L114-Y126 HydrophobicContact CD2-CE1 4.29Å; L114-Y126 HydrophobicContact CD2-CG 3.57Å; L122-Y126 PolarHBondContact O-N 3.36Å; K123-Y126 PolarHBondContact O-N 3.34Å; Y126-S128 VanDerWaalsContact C-N 3.32Å; Y126-S128 PolarHBondContact O-N 3.3Å; Y126-S129 PolarHBondContact O-N 3.16Å; Y126-S129 VanDerWaalsContact O-N 3.13Å; Y126-L130 HydrophobicContact CE1-CB 4.47Å; Y126-L130 HydrophobicContact CE1-CD1 4.16Å; Y126-L130 HydrophobicContact CE1-CD2 4.36Å; Y126-L130 WeakPolarHBondContact O-CB 3Å; Y126-L130 PolarHBondContact O-N 3.4Å; Y126-H166 AromaticContact CE1-NE2 3.84Å; Y126-H166 AromaticContact CZ-NE2 3.69Å; Y126-H166 PolarHBondContact OH-NE2 2.99Å; Y126-F169 HydrophobicContact CD1-CE1 4.07Å; Y126-F169 HydrophobicContact CE1-CE1 4.24Å
127L97.1Very high97.3Very high43 Ų4364.3 Ų64.323%0.22536%0.355CS..Hα-helixtrans-63.4-35.8-179.4-71.2176.5000112.7K123 P124 S129 L130 F169 H170K123-L127 HydrophobicContact CG-CD1 3.96Å; K123-L127 HydrophobicContact CG-CG 4.31Å; K123-L127 WeakPolarHBondContact O-CG 3.32Å; K123-L127 PolarHBondContact O-N 3.32Å; P124-L127 PolarHBondContact O-N 2.87Å; L127-S129 VanDerWaalsContact C-N 3.29Å; L127-S129 PolarHBondContact O-N 2.91Å; L127-L130 HydrophobicContact CD2-CD2 4.05Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-F169 HydrophobicContact CD2-CD1 4.37Å; L127-F169 HydrophobicContact CD2-CE1 3.64Å; L127-F169 HydrophobicContact CD2-CZ 4.38Å; L127-F169 HydrophobicContact CG-CE1 4.38Å; L127-H170 HydrophobicContact CD2-CB 3.99Å
128S95.4Very high97.5Very high90 Ų9062 Ų6263%0.62934%0.341SS*.Hα-helixtrans-65.6-32.2175.165.90000112.9P124 G125 Y126P124-S128 PolarHBondContact O-N 3.11Å; G125-S128 PolarHBondContact O-OG 3.07Å; Y126-S128 VanDerWaalsContact C-N 3.32Å; Y126-S128 PolarHBondContact O-N 3.3Å
129S97.2Very high97.8Very high72 Ų7261.6 Ų61.650%0.50334%0.339SS..Hα-helixtrans-87-23.2179.1-52.40000113.1G125 Y126 L127 Q131 G132 T133G125-S129 PolarHBondContact O-N 2.83Å; G125-S129 PolarHBondContact O-OG 2.78Å; Y126-S129 PolarHBondContact O-N 3.16Å; Y126-S129 VanDerWaalsContact O-N 3.13Å; L127-S129 VanDerWaalsContact C-N 3.29Å; L127-S129 PolarHBondContact O-N 2.91Å; S129-Q131 VanDerWaalsContact C-N 3.34Å; S129-Q131 PolarHBondContact O-N 3.1Å; S129-G132 PolarHBondContact O-N 3.14Å; S129-T133 PolarHBondContact O-N 3.19Å; S129-T133 PolarHBondContact O-OG1 3.45Å
130L98.1Very high97.9Very high3 Ų363.8 Ų63.82%0.01635%0.349CS..Hα-helixtrans-59.3-43.4-175.4178.460.3000111.7F107 Y126 L127 G132 T133 L134 C173F107-L130 HydrophobicContact CE2-CD1 3.75Å; F107-L130 HydrophobicContact CZ-CD1 3.71Å; Y126-L130 HydrophobicContact CE1-CB 4.47Å; Y126-L130 HydrophobicContact CE1-CD1 4.16Å; Y126-L130 HydrophobicContact CE1-CD2 4.36Å; Y126-L130 WeakPolarHBondContact O-CB 3Å; Y126-L130 PolarHBondContact O-N 3.4Å; L127-L130 HydrophobicContact CD2-CD2 4.05Å; L127-L130 PolarHBondContact O-N 3.27Å; L130-G132 VanDerWaalsContact C-N 3.34Å; L130-G132 PolarHBondContact O-N 2.87Å; L130-T133 PolarHBondContact O-N 3.36Å; L130-T133 VanDerWaalsContact O-N 3.15Å; L130-L134 HydrophobicContact CD1-CD1 3.91Å; L130-L134 HydrophobicContact CD1-CD2 4.36Å; L130-L134 HydrophobicContact CD1-CG 3.86Å; L130-L134 HydrophobicContact CD2-CD1 4.35Å; L130-L134 HydrophobicContact CG-CD1 3.74Å; L130-L134 HydrophobicContact CG-CG 4.15Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.16Å; L130-C173 HydrophobicContact CD2-CB 3.88Å
131Q97.6Very high98Very high59 Ų5956.7 Ų56.728%0.27632%0.316SS..Hα-helixtrans-59.8-42.8179.7-71.4-58.7-36.400112.5S129 T133 L134 K135 C173 F177S129-Q131 VanDerWaalsContact C-N 3.34Å; S129-Q131 PolarHBondContact O-N 3.1Å; Q131-T133 VanDerWaalsContact C-N 3.34Å; Q131-T133 PolarHBondContact O-N 2.9Å; Q131-L134 PolarHBondContact O-N 2.86Å; Q131-K135 WeakPolarHBondContact O-CB 3.38Å; Q131-K135 PolarHBondContact O-N 3.31Å; Q131-C173 PolarHBondContact NE2-O 2.97Å; Q131-F177 WeakPolarHBondContact O-CZ 3.5Å
132G98.4Very high98.1Very high44 Ų4450 Ų5045%0.45429%0.293SS..Hα-helixtrans-63.7-39.3175.800000112.7S129 L130 K135 Q136S129-G132 PolarHBondContact O-N 3.14Å; L130-G132 VanDerWaalsContact C-N 3.34Å; L130-G132 PolarHBondContact O-N 2.87Å; G132-K135 PolarHBondContact O-N 3.38Å; G132-Q136 WeakPolarHBondContact O-CG 3.41Å; G132-Q136 PolarHBondContact O-N 3.24Å; G132-Q136 VanDerWaalsContact O-N 3.16Å
133T98.5Very high98.1Very high33 Ų3355.4 Ų55.420%0.20232%0.322CS..Hα-helixtrans-68.7-44.2178.1-52.20000111.6F107 S129 L130 Q131 K135 Q136 F137F107-T133 HydrophobicContact CD2-CG2 3.8Å; F107-T133 HydrophobicContact CE2-CG2 3.95Å; F107-T133 HydrophobicContact CG-CG2 4.43Å; S129-T133 PolarHBondContact O-N 3.19Å; S129-T133 PolarHBondContact O-OG1 3.45Å; L130-T133 PolarHBondContact O-N 3.36Å; L130-T133 VanDerWaalsContact O-N 3.15Å; Q131-T133 VanDerWaalsContact C-N 3.34Å; Q131-T133 PolarHBondContact O-N 2.9Å; T133-K135 VanDerWaalsContact C-N 3.3Å; T133-K135 PolarHBondContact O-N 2.98Å; T133-Q136 WeakPolarHBondContact O-CB 3.22Å; T133-Q136 PolarHBondContact O-N 2.85Å; T133-Q136 VanDerWaalsContact O-N 3.13Å; T133-F137 HydrophobicContact CG2-CD2 4.27Å; T133-F137 HydrophobicContact CG2-CE2 3.76Å; T133-F137 WeakPolarHBondContact O-CD2 3.45Å; T133-F137 PolarHBondContact O-N 3.26Å
134L98.8Very high98.2Very high0 Ų056.3 Ų56.30%032%0.324CS..Hα-helixtrans-64.1-36.1175.9-69.1173.4000111.7F107 L130 Q131 Q136 F137 S138 L163 C173 L174 F177 L180F107-L134 HydrophobicContact CZ-CD2 4.31Å; L130-L134 HydrophobicContact CD1-CD1 3.91Å; L130-L134 HydrophobicContact CD1-CD2 4.36Å; L130-L134 HydrophobicContact CD1-CG 3.86Å; L130-L134 HydrophobicContact CD2-CD1 4.35Å; L130-L134 HydrophobicContact CG-CD1 3.74Å; L130-L134 HydrophobicContact CG-CG 4.15Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.16Å; Q131-L134 PolarHBondContact O-N 2.86Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.44Å; L134-F137 PolarHBondContact O-N 3.19Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.13Å; L134-L163 HydrophobicContact CD2-CD2 3.72Å; L134-C173 HydrophobicContact CD1-CB 3.95Å; L134-C173 VanDerWaalsContact CD1-O 3.24Å; L134-C173 WeakPolarHBondContact CD1-O 3.39Å; L134-L174 HydrophobicContact CD1-CD2 3.99Å; L134-L174 HydrophobicContact CD2-CD2 3.91Å; L134-L174 HydrophobicContact CG-CD2 4.48Å; L134-F177 HydrophobicContact CB-CD2 3.78Å; L134-F177 HydrophobicContact CB-CE2 3.36Å; L134-F177 HydrophobicContact CB-CZ 3.94Å; L134-F177 HydrophobicContact CD1-CD2 4.41Å; L134-F177 HydrophobicContact CD1-CE2 4.1Å; L134-F177 HydrophobicContact CG-CE2 4.39Å; L134-L180 HydrophobicContact CD2-CD1 4.49Å
135K98.8Very high98.2Very high101 Ų10157.2 Ų57.244%0.43932%0.32SS..Hα-helixtrans-59.1-43.1171.4-168.5-171.7-176.4-48.90111.6Q131 G132 T133 F137 S138 D139 F177Q131-K135 WeakPolarHBondContact O-CB 3.38Å; Q131-K135 PolarHBondContact O-N 3.31Å; G132-K135 PolarHBondContact O-N 3.38Å; T133-K135 VanDerWaalsContact C-N 3.3Å; T133-K135 PolarHBondContact O-N 2.98Å; K135-F137 VanDerWaalsContact C-N 3.35Å; K135-F137 PolarHBondContact O-N 3.45Å; K135-S138 WeakPolarHBondContact O-CB 3.29Å; K135-S138 PolarHBondContact O-N 3.16Å; K135-D139 IonicContact NZ-OD1 2.78Å; K135-D139 PolarHBondContact NZ-OD1 2.92Å; K135-D139 IonicContact NZ-OD2 3.08Å; K135-D139 PolarHBondContact NZ-OD2 3.44Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 PolarHBondContact O-N 3.43Å; K135-F177 VanDerWaalsContact CA-CE1 3.5Å; K135-F177 HydrophobicContact CB-CE1 3.71Å; K135-F177 HydrophobicContact CB-CZ 3.99Å; K135-F177 HydrophobicContact CG-CE1 4.08Å
136Q98.8Very high98.2Very high117 Ų11755.7 Ų55.755%0.54730%0.301SS..Hα-helixtrans-60.5-42.8176.8-68.4170.3-19.100112.1G132 T133 L134 F140G132-Q136 WeakPolarHBondContact O-CG 3.41Å; G132-Q136 PolarHBondContact O-N 3.24Å; G132-Q136 VanDerWaalsContact O-N 3.16Å; T133-Q136 WeakPolarHBondContact O-CB 3.22Å; T133-Q136 PolarHBondContact O-N 2.85Å; T133-Q136 VanDerWaalsContact O-N 3.13Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.44Å; Q136-F140 VanDerWaalsContact O-CB 3.23Å; Q136-F140 WeakPolarHBondContact O-CB 3.44Å; Q136-F140 PolarHBondContact O-N 3.2Å
137F98.9Very high98.3Very high4 Ų453.9 Ų53.92%0.01829%0.294CS..Hα-helixtrans-67.7-38.5175.5-68.5-56.3000112.7L100 Q103 F107 T133 L134 K135 F140 L141 M159L100-F137 HydrophobicContact CD1-CD1 3.95Å; L100-F137 HydrophobicContact CD1-CE1 3.87Å; Q103-F137 HydrophobicContact CB-CE1 4.35Å; Q103-F137 HydrophobicContact CG-CE1 3.67Å; Q103-F137 HydrophobicContact CG-CZ 3.9Å; F107-F137 HydrophobicContact CB-CE2 4.12Å; F107-F137 HydrophobicContact CB-CZ 3.96Å; F107-F137 AromaticContact CD1-CE2 3.54Å; F107-F137 HydrophobicContact CD1-CE2 3.54Å; F107-F137 HydrophobicContact CD1-CZ 4.04Å; F107-F137 HydrophobicContact CD2-CE2 4.37Å; F107-F137 AromaticContact CE1-CE2 3.95Å; F107-F137 HydrophobicContact CE1-CE2 3.95Å; F107-F137 AromaticContact CG-CE2 3.77Å; F107-F137 HydrophobicContact CG-CE2 3.77Å; F107-F137 HydrophobicContact CG-CZ 4.13Å; T133-F137 HydrophobicContact CG2-CD2 4.27Å; T133-F137 HydrophobicContact CG2-CE2 3.76Å; T133-F137 WeakPolarHBondContact O-CD2 3.45Å; T133-F137 PolarHBondContact O-N 3.26Å; L134-F137 PolarHBondContact O-N 3.19Å; K135-F137 VanDerWaalsContact C-N 3.35Å; K135-F137 PolarHBondContact O-N 3.45Å; F137-F140 PolarHBondContact O-N 3.24Å; F137-L141 WeakPolarHBondContact O-CB 3.2Å; F137-L141 PolarHBondContact O-N 2.8Å; F137-M159 HydrophobicContact CB-CE 4.28Å; F137-M159 HydrophobicContact CD1-CE 3.6Å; F137-M159 HydrophobicContact CD1-SD 4.37Å; F137-M159 HydrophobicContact CD2-CE 4.01Å; F137-M159 HydrophobicContact CE1-CE 3.81Å; F137-M159 HydrophobicContact CE1-SD 4.12Å; F137-M159 HydrophobicContact CE2-CE 4.19Å; F137-M159 HydrophobicContact CG-CE 3.71Å; F137-M159 HydrophobicContact CZ-CE 4.1Å; F137-M159 HydrophobicContact CZ-SD 4.49Å
138S98.9Very high98.4Very high13 Ų1351.8 Ų51.89%0.09128%0.283CS..Hα-helixtrans-61-50.2174173.70000111.4L134 K135 F140 L141 G142 N179L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.13Å; K135-S138 WeakPolarHBondContact O-CB 3.29Å; K135-S138 PolarHBondContact O-N 3.16Å; S138-F140 VanDerWaalsContact C-N 3.28Å; S138-F140 PolarHBondContact O-N 2.9Å; S138-L141 PolarHBondContact O-N 2.63Å; S138-G142 PolarHBondContact O-N 3.05Å; S138-N179 PolarHBondContact O-ND2 2.81Å; S138-N179 PolarHBondContact OG-ND2 3.03Å; S138-N179 PolarHBondContact OG-OD1 2.94Å
139D98.9Very high98.5Very high97 Ų9747.9 Ų47.952%0.51926%0.257SS..Hα-helixtrans-61.6-39.7177.2-65.2-17.1000110.5K135 G142K135-D139 IonicContact NZ-OD1 2.78Å; K135-D139 PolarHBondContact NZ-OD1 2.92Å; K135-D139 IonicContact NZ-OD2 3.08Å; K135-D139 PolarHBondContact NZ-OD2 3.44Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 PolarHBondContact O-N 3.43Å; D139-G142 PolarHBondContact O-N 2.89Å
140F98.9Very high98.5Very high59 Ų5950.7 Ų50.726%0.25927%0.266SS..Hα-helixtrans-66.7-39.7177.7-174.6-97.4000112.3R96 V99 L100 Q136 F137 S138 R144 F147R96-F140 HydrophobicContact CB-CE1 4.46Å; R96-F140 HydrophobicContact CB-CZ 3.89Å; R96-F140 HydrophobicContact CG-CE2 4.47Å; R96-F140 HydrophobicContact CG-CZ 3.88Å; V99-F140 HydrophobicContact CG1-CE2 4.49Å; L100-F140 HydrophobicContact CB-CE1 4.03Å; L100-F140 HydrophobicContact CB-CZ 4.44Å; L100-F140 HydrophobicContact CD1-CD1 4.3Å; L100-F140 HydrophobicContact CD1-CE1 4.26Å; L100-F140 HydrophobicContact CD2-CE1 4.13Å; L100-F140 HydrophobicContact CG-CE1 4.4Å; Q136-F140 VanDerWaalsContact O-CB 3.23Å; Q136-F140 WeakPolarHBondContact O-CB 3.44Å; Q136-F140 PolarHBondContact O-N 3.2Å; F137-F140 PolarHBondContact O-N 3.24Å; S138-F140 VanDerWaalsContact C-N 3.28Å; S138-F140 PolarHBondContact O-N 2.9Å; F140-R144 PolarHBondContact O-NH1 3.44Å; F140-F147 AromaticContact CD1-CD1 3.88Å; F140-F147 HydrophobicContact CD1-CD1 3.88Å; F140-F147 HydrophobicContact CD1-CE1 4.41Å; F140-F147 HydrophobicContact CE1-CD1 4.29Å
141L98.9Very high98.5Very high2 Ų255.8 Ų55.81%0.0129%0.288CS..Hα-helixtrans-66.5-41.5173.1179.661.8000111.6F137 S138 D143 R144 F147 N179 L180 F183F137-L141 WeakPolarHBondContact O-CB 3.2Å; F137-L141 PolarHBondContact O-N 2.8Å; S138-L141 PolarHBondContact O-N 2.63Å; L141-D143 PolarHBondContact O-N 3.26Å; L141-R144 VanDerWaalsContact C-NH1 3.29Å; L141-R144 WeakPolarHBondContact O-CB 3.3Å; L141-R144 PolarHBondContact O-N 3.34Å; L141-R144 VanDerWaalsContact O-N 3.14Å; L141-R144 PolarHBondContact O-NH1 2.79Å; L141-F147 HydrophobicContact CB-CD1 4.1Å; L141-F147 HydrophobicContact CB-CE1 3.78Å; L141-F147 HydrophobicContact CB-CZ 4.33Å; L141-F147 HydrophobicContact CD1-CD1 4.09Å; L141-F147 HydrophobicContact CD1-CD2 4.38Å; L141-F147 HydrophobicContact CD1-CE1 4.34Å; L141-F147 HydrophobicContact CD1-CG 4.13Å; L141-F147 HydrophobicContact CD2-CZ 4.49Å; L141-F147 HydrophobicContact CG-CE1 4.5Å; L141-N179 HydrophobicContact CD2-CB 4.26Å; L141-L180 HydrophobicContact CD2-CD2 3.97Å; L141-F183 HydrophobicContact CD2-CB 3.98Å
142G98.6Very high98.6Very high23 Ų2353.6 Ų53.624%0.23728%0.278CS..THydrogen-bonded Turntrans54.4-130.8-177.800000111.6S138 D139 N179S138-G142 PolarHBondContact O-N 3.05Å; D139-G142 PolarHBondContact O-N 2.89Å; G142-N179 PolarHBondContact O-ND2 3.11Å
143D98.1Very high98.6Very high178 Ų17851.7 Ų51.795%0.95226%0.258SS*.THydrogen-bonded Turntrans-92.33.7178.6-59.8-42.9000113.7L141L141-D143 PolarHBondContact O-N 3.26Å
144R98.4Very high98.6Very high82 Ų8250.1 Ų50.131%0.30925%0.248SC..  trans-72.3150.7-176.8-60.6-179.9-149.680.6-4.2110.9F140 L141 W146F140-R144 PolarHBondContact O-NH1 3.44Å; L141-R144 VanDerWaalsContact C-NH1 3.29Å; L141-R144 WeakPolarHBondContact O-CB 3.3Å; L141-R144 PolarHBondContact O-N 3.34Å; L141-R144 VanDerWaalsContact O-N 3.14Å; L141-R144 PolarHBondContact O-NH1 2.79Å; R144-W146 VanDerWaalsContact CB-O 3.27Å; R144-W146 WeakPolarHBondContact CB-O 3.46Å
145K98.3Very high98.6Very high102 Ų10250.1 Ų50.144%0.44325%0.248SC..SBendtrans-68.5-40.7176.8-172.6179.7178.3178.30112.2
146W98.9Very high98.7Very high9 Ų945.3 Ų45.33%0.03423%0.227CC..SBendtrans-130.6161.9178.6-57.3110.4000109.1R144 A148 G149 D150 I152 D156 F183 R186 F187 L190R144-W146 VanDerWaalsContact CB-O 3.27Å; R144-W146 WeakPolarHBondContact CB-O 3.46Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.16Å; W146-G149 CarbonylContact C-O 3.46Å; W146-G149 WeakPolarHBondContact CB-O 3.42Å; W146-G149 PolarHBondContact N-O 2.77Å; W146-G149 PolarHBondContact O-N 3.29Å; W146-D150 VanDerWaalsContact CD1-O 3.25Å; W146-I152 HydrophobicContact CD2-CB 3.8Å; W146-I152 HydrophobicContact CD2-CD1 4.29Å; W146-I152 HydrophobicContact CD2-CG1 3.86Å; W146-I152 HydrophobicContact CE3-CB 4.36Å; W146-I152 HydrophobicContact CE3-CD1 4.04Å; W146-I152 HydrophobicContact CE3-CG1 3.89Å; W146-I152 HydrophobicContact CG-CB 3.99Å; W146-I152 HydrophobicContact CG-CG1 4.36Å; W146-I152 HydrophobicContact CH2-CD1 3.84Å; W146-I152 HydrophobicContact CH2-CG1 4.47Å; W146-I152 HydrophobicContact CZ2-CB 4.27Å; W146-I152 HydrophobicContact CZ2-CD1 4.07Å; W146-I152 HydrophobicContact CZ2-CG1 4.42Å; W146-I152 HydrophobicContact CZ3-CD1 3.83Å; W146-I152 HydrophobicContact CZ3-CG1 4.21Å; W146-D156 WeakPolarHBondContact CB-OD1 3.19Å; W146-D156 HydrophobicContact CE3-CB 4.08Å; W146-F183 HydrophobicContact CE3-CD2 4.14Å; W146-F183 AromaticContact CE3-CE2 3.83Å; W146-F183 HydrophobicContact CE3-CE2 3.83Å; W146-F183 HydrophobicContact CZ3-CD2 4.31Å; W146-F183 HydrophobicContact CZ3-CE2 4.05Å; W146-R186 HydrophobicContact CH2-CG 3.9Å; W146-R186 HydrophobicContact CZ2-CG 4.1Å; W146-F187 HydrophobicContact CZ3-CB 4.21Å; W146-F187 HydrophobicContact CZ3-CD2 4.02Å; W146-L190 HydrophobicContact CH2-CD1 3.91Å; W146-L190 HydrophobicContact CH2-CD2 4.22Å; W146-L190 HydrophobicContact CH2-CG 4.23Å; W146-L190 HydrophobicContact CZ2-CD1 4.47Å; W146-L190 HydrophobicContact CZ2-CD2 4.13Å
147F98.8Very high98.7Very high0 Ų039.8 Ų39.80%020%0.201CC..SBendtrans-63.7-33.8-171-85.8-79.6000114L100 F140 L141 D156 M159 L180 F183L100-F147 HydrophobicContact CD1-CD1 4.33Å; L100-F147 HydrophobicContact CD1-CE1 4.5Å; L100-F147 HydrophobicContact CD2-CB 3.25Å; L100-F147 HydrophobicContact CD2-CD1 3.48Å; L100-F147 VanDerWaalsContact CD2-CD1 3.48Å; L100-F147 HydrophobicContact CD2-CD2 4.07Å; L100-F147 HydrophobicContact CD2-CE1 4.29Å; L100-F147 HydrophobicContact CD2-CG 3.33Å; F140-F147 AromaticContact CD1-CD1 3.88Å; F140-F147 HydrophobicContact CD1-CD1 3.88Å; F140-F147 HydrophobicContact CD1-CE1 4.41Å; F140-F147 HydrophobicContact CE1-CD1 4.29Å; L141-F147 HydrophobicContact CB-CD1 4.1Å; L141-F147 HydrophobicContact CB-CE1 3.78Å; L141-F147 HydrophobicContact CB-CZ 4.33Å; L141-F147 HydrophobicContact CD1-CD1 4.09Å; L141-F147 HydrophobicContact CD1-CD2 4.38Å; L141-F147 HydrophobicContact CD1-CE1 4.34Å; L141-F147 HydrophobicContact CD1-CG 4.13Å; L141-F147 HydrophobicContact CD2-CZ 4.49Å; L141-F147 HydrophobicContact CG-CE1 4.5Å; F147-D156 WeakPolarHBondContact CD2-OD1 3.42Å; F147-D156 PolarHBondContact N-OD1 2.68Å; F147-M159 HydrophobicContact CD2-CB 3.91Å; F147-M159 HydrophobicContact CD2-CG 4.01Å; F147-M159 HydrophobicContact CE2-CB 3.49Å; F147-M159 VanDerWaalsContact CE2-CB 3.49Å; F147-M159 HydrophobicContact CE2-CG 3.79Å; F147-M159 HydrophobicContact CG-CG 4.48Å; F147-M159 HydrophobicContact CZ-CB 4.09Å; F147-M159 HydrophobicContact CZ-CE 4.02Å; F147-M159 HydrophobicContact CZ-CG 4.06Å; F147-L180 HydrophobicContact CZ-CD2 4.1Å; F147-F183 HydrophobicContact CD2-CD2 4.18Å; F147-F183 AromaticContact CD2-CE2 3.64Å; F147-F183 HydrophobicContact CD2-CE2 3.64Å; F147-F183 AromaticContact CD2-CZ 3.88Å; F147-F183 HydrophobicContact CD2-CZ 3.88Å; F147-F183 HydrophobicContact CE2-CD1 4.14Å; F147-F183 AromaticContact CE2-CD2 3.97Å; F147-F183 HydrophobicContact CE2-CD2 3.97Å; F147-F183 AromaticContact CE2-CE1 3.85Å; F147-F183 HydrophobicContact CE2-CE1 3.85Å; F147-F183 AromaticContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CG 4.21Å; F147-F183 AromaticContact CE2-CZ 3.6Å; F147-F183 HydrophobicContact CE2-CZ 3.6Å
148A98.6Very high98.7Very high0 Ų040.2 Ų40.20%020%0.204CC..SBendtrans-80.2-29.9177.400000112.8E93 R96 V97 W146 T153E93-A148 HydrophobicContact CB-CB 4.41Å; E93-A148 HydrophobicContact CG-CB 4.49Å; E93-A148 WeakPolarHBondContact CG-O 3.21Å; R96-A148 WeakPolarHBondContact CD-O 3.37Å; R96-A148 PolarHBondContact NH1-O 2.97Å; V97-A148 HydrophobicContact CG2-CB 3.87Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.16Å; A148-T153 HydrophobicContact CB-CG2 3.71Å
149G98.2Very high98.7Very high8 Ų839.6 Ų39.68%0.08220%0.2CC..SBendtrans164.5-141.7-16900000113.3W146W146-G149 CarbonylContact C-O 3.46Å; W146-G149 WeakPolarHBondContact CB-O 3.42Å; W146-G149 PolarHBondContact N-O 2.77Å; W146-G149 PolarHBondContact O-N 3.29Å
150D97.8Very high98.7Very high130 Ų13035.1 Ų35.170%0.69518%0.176SC*.SBendtrans-85.3-19.4-179.3-67.3-37.8000113.7W146W146-D150 VanDerWaalsContact CD1-O 3.25Å
151K98.4Very high98.7Very high111 Ų11132.5 Ų32.548%0.48316%0.164SC..SBendtrans-102.2142177-67.2177.7179.2175.10110.5E89E89-K151 IonicContact OE1-NZ 2.65Å; E89-K151 PolarHBondContact OE1-NZ 3.36Å; E89-K151 IonicContact OE2-NZ 2.64Å; E89-K151 PolarHBondContact OE2-NZ 3.45Å
152I98.8Very high98.6Very high13 Ų1332.5 Ų32.57%0.06716%0.164CC..  trans-71144175.7-165173.2000110Y23 L86 W146 D156 F157 F187 L190Y23-I152 HydrophobicContact CE1-CG2 4.11Å; Y23-I152 VanDerWaalsContact OH-CG2 3.31Å; Y23-I152 WeakPolarHBondContact OH-CG2 3.3Å; L86-I152 HydrophobicContact CD2-CG2 4.34Å; L86-I152 WeakPolarHBondContact CD2-O 3.46Å; W146-I152 HydrophobicContact CD2-CB 3.8Å; W146-I152 HydrophobicContact CD2-CD1 4.29Å; W146-I152 HydrophobicContact CD2-CG1 3.86Å; W146-I152 HydrophobicContact CE3-CB 4.36Å; W146-I152 HydrophobicContact CE3-CD1 4.04Å; W146-I152 HydrophobicContact CE3-CG1 3.89Å; W146-I152 HydrophobicContact CG-CB 3.99Å; W146-I152 HydrophobicContact CG-CG1 4.36Å; W146-I152 HydrophobicContact CH2-CD1 3.84Å; W146-I152 HydrophobicContact CH2-CG1 4.47Å; W146-I152 HydrophobicContact CZ2-CB 4.27Å; W146-I152 HydrophobicContact CZ2-CD1 4.07Å; W146-I152 HydrophobicContact CZ2-CG1 4.42Å; W146-I152 HydrophobicContact CZ3-CD1 3.83Å; W146-I152 HydrophobicContact CZ3-CG1 4.21Å; I152-D156 HydrophobicContact CD1-CB 4.29Å; I152-D156 HydrophobicContact CG1-CB 3.75Å; I152-F157 HydrophobicContact CD1-CE2 3.66Å; I152-F157 HydrophobicContact CD1-CZ 3.92Å; I152-F157 HydrophobicContact CG1-CE2 3.96Å; I152-F187 HydrophobicContact CD1-CD2 4.25Å; I152-F187 HydrophobicContact CD1-CE2 4.2Å; I152-L190 HydrophobicContact CD1-CD1 3.68Å
153T98.9Very high98.6Very high4 Ų431.4 Ų31.43%0.02515%0.153CC..  trans-132.3171.2177.160.40000109.9L86 V97 A148 V155 D156 F157L86-T153 VanDerWaalsContact O-CA 3.3Å; L86-T153 WeakPolarHBondContact O-CA 3.32Å; L86-T153 VanDerWaalsContact O-CB 3.3Å; L86-T153 WeakPolarHBondContact O-CB 3.32Å; V97-T153 HydrophobicContact CG2-CG2 4.21Å; A148-T153 HydrophobicContact CB-CG2 3.71Å; T153-V155 PolarHBondContact O-N 2.85Å; T153-V155 VanDerWaalsContact O-N 3.16Å; T153-V155 WeakPolarHBondContact OG1-CG2 3.31Å; T153-D156 PolarHBondContact N-OD2 3.32Å; T153-D156 WeakPolarHBondContact O-CB 3.39Å; T153-D156 PolarHBondContact O-N 3.2Å; T153-D156 VanDerWaalsContact O-N 3.14Å; T153-D156 PolarHBondContact OG1-OD2 2.78Å; T153-D156 VanDerWaalsContact OG1-OD2 3.06Å; T153-F157 WeakPolarHBondContact O-CD2 3.39Å
154F98.9Very high98.7Very high0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-63-23.6-177.280.3-92.1000113.7L20 M77 R78 A81 L86 V97 E101 D156 F157 V158L20-F154 HydrophobicContact CD2-CB 4.12Å; M77-F154 HydrophobicContact CB-CD2 3.71Å; M77-F154 HydrophobicContact CB-CE2 4.26Å; M77-F154 HydrophobicContact CB-CG 4.41Å; M77-F154 HydrophobicContact CE-CB 4.21Å; M77-F154 HydrophobicContact CE-CD2 4.4Å; M77-F154 WeakPolarHBondContact CE-O 3.45Å; R78-F154 HydrophobicContact CG-CE1 3.81Å; R78-F154 HydrophobicContact CG-CE2 4.01Å; R78-F154 HydrophobicContact CG-CZ 3.5Å; R78-F154 VanDerWaalsContact CG-CZ 3.5Å; A81-F154 HydrophobicContact CB-CB 3.7Å; A81-F154 HydrophobicContact CB-CD1 3.74Å; A81-F154 HydrophobicContact CB-CG 3.98Å; L86-F154 WeakPolarHBondContact O-CD1 3.26Å; L86-F154 PolarHBondContact O-N 3.21Å; V97-F154 HydrophobicContact CG1-CD1 4.31Å; V97-F154 HydrophobicContact CG1-CE1 3.36Å; V97-F154 HydrophobicContact CG1-CZ 3.68Å; E101-F154 HydrophobicContact CG-CE2 4.14Å; E101-F154 HydrophobicContact CG-CZ 4.44Å; E101-F154 WeakPolarHBondContact OE1-CE2 3.4Å; E101-F154 WeakPolarHBondContact OE1-CZ 3.23Å; F154-D156 VanDerWaalsContact C-N 3.27Å; F154-D156 PolarHBondContact O-N 3.2Å; F154-F157 WeakPolarHBondContact O-CB 3.34Å; F154-F157 PolarHBondContact O-N 3.04Å; F154-V158 PolarHBondContact O-N 2.68Å
155V98.8Very high98.7Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-71.2-23.2178.4-67.90000112.8V97 L100 E101 T153 F157 V158 M159V97-V155 HydrophobicContact CB-CG1 4.42Å; V97-V155 HydrophobicContact CB-CG2 4.47Å; V97-V155 HydrophobicContact CG1-CG1 3.9Å; V97-V155 HydrophobicContact CG2-CG2 3.96Å; V97-V155 WeakPolarHBondContact O-CG1 3.31Å; L100-V155 HydrophobicContact CD2-CB 4.08Å; L100-V155 HydrophobicContact CD2-CG2 3.97Å; L100-V155 HydrophobicContact CG-CB 4.44Å; E101-V155 HydrophobicContact CB-CG1 3.92Å; T153-V155 PolarHBondContact O-N 2.85Å; T153-V155 VanDerWaalsContact O-N 3.16Å; T153-V155 WeakPolarHBondContact OG1-CG2 3.31Å; V155-F157 VanDerWaalsContact C-N 3.26Å; V155-F157 PolarHBondContact O-N 2.68Å; V155-V158 PolarHBondContact O-N 2.98Å; V155-M159 PolarHBondContact O-N 3.32Å
156D98.9Very high98.7Very high0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-64.6-33.8172.6-60.8-72.7000111.1W146 F147 I152 T153 F154 M159 Y160 F183W146-D156 WeakPolarHBondContact CB-OD1 3.19Å; W146-D156 HydrophobicContact CE3-CB 4.08Å; F147-D156 WeakPolarHBondContact CD2-OD1 3.42Å; F147-D156 PolarHBondContact N-OD1 2.68Å; I152-D156 HydrophobicContact CD1-CB 4.29Å; I152-D156 HydrophobicContact CG1-CB 3.75Å; T153-D156 PolarHBondContact N-OD2 3.32Å; T153-D156 WeakPolarHBondContact O-CB 3.39Å; T153-D156 PolarHBondContact O-N 3.2Å; T153-D156 VanDerWaalsContact O-N 3.14Å; T153-D156 PolarHBondContact OG1-OD2 2.78Å; T153-D156 VanDerWaalsContact OG1-OD2 3.06Å; F154-D156 VanDerWaalsContact C-N 3.27Å; F154-D156 PolarHBondContact O-N 3.2Å; D156-M159 PolarHBondContact O-N 2.72Å; D156-Y160 VanDerWaalsContact O-CB 3.22Å; D156-Y160 WeakPolarHBondContact O-CB 3.48Å; D156-Y160 PolarHBondContact O-N 2.73Å; D156-F183 HydrophobicContact CB-CE2 4.07Å; D156-F183 HydrophobicContact CB-CZ 4.24Å; D156-F183 WeakPolarHBondContact O-CZ 3.22Å
157F98.9Very high98.6Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-70-37175.9-63.8-105.3000111.8L19 L20 Y23 M77 I152 T153 F154 V155 E161 F187 I193L19-F157 HydrophobicContact CB-CD1 3.74Å; L19-F157 HydrophobicContact CB-CE1 4.37Å; L19-F157 WeakPolarHBondContact O-CE1 3.26Å; L20-F157 HydrophobicContact CB-CD1 3.96Å; L20-F157 HydrophobicContact CB-CE1 4.28Å; L20-F157 HydrophobicContact CB-CG 4.3Å; L20-F157 HydrophobicContact CD1-CD1 4.26Å; L20-F157 HydrophobicContact CD1-CD2 3.98Å; L20-F157 HydrophobicContact CD1-CE1 4.07Å; L20-F157 HydrophobicContact CD1-CE2 3.76Å; L20-F157 HydrophobicContact CD1-CG 4.26Å; L20-F157 HydrophobicContact CD1-CZ 3.83Å; Y23-F157 HydrophobicContact CD1-CE1 4.29Å; Y23-F157 HydrophobicContact CD1-CE2 4.39Å; Y23-F157 AromaticContact CD1-CZ 3.52Å; Y23-F157 HydrophobicContact CD1-CZ 3.52Å; Y23-F157 HydrophobicContact CD2-CZ 4.07Å; Y23-F157 HydrophobicContact CE1-CZ 4.18Å; Y23-F157 AromaticContact CG-CE1 3.88Å; Y23-F157 HydrophobicContact CG-CE1 3.88Å; Y23-F157 AromaticContact CG-CZ 3.46Å; Y23-F157 HydrophobicContact CG-CZ 3.46Å; Y23-F157 VanDerWaalsContact CG-CZ 3.46Å; M77-F157 HydrophobicContact CE-CB 3.67Å; M77-F157 HydrophobicContact CE-CG 4.39Å; I152-F157 HydrophobicContact CD1-CE2 3.66Å; I152-F157 HydrophobicContact CD1-CZ 3.92Å; I152-F157 HydrophobicContact CG1-CE2 3.96Å; T153-F157 WeakPolarHBondContact O-CD2 3.39Å; F154-F157 WeakPolarHBondContact O-CB 3.34Å; F154-F157 PolarHBondContact O-N 3.04Å; V155-F157 VanDerWaalsContact C-N 3.26Å; V155-F157 PolarHBondContact O-N 2.68Å; F157-E161 PolarHBondContact O-N 3.26Å; F157-F187 HydrophobicContact CB-CE2 4.43Å; F157-F187 HydrophobicContact CB-CZ 4.37Å; F157-F187 AromaticContact CD1-CE2 3.84Å; F157-F187 HydrophobicContact CD1-CE2 3.84Å; F157-F187 AromaticContact CD1-CZ 3.51Å; F157-F187 HydrophobicContact CD1-CZ 3.51Å; F157-F187 HydrophobicContact CD2-CE2 4.18Å; F157-F187 AromaticContact CE1-CE2 3.98Å; F157-F187 HydrophobicContact CE1-CE2 3.98Å; F157-F187 AromaticContact CE1-CZ 3.77Å; F157-F187 HydrophobicContact CE1-CZ 3.77Å; F157-F187 HydrophobicContact CE2-CE2 4.32Å; F157-F187 AromaticContact CG-CE2 3.91Å; F157-F187 HydrophobicContact CG-CE2 3.91Å; F157-F187 AromaticContact CG-CZ 3.95Å; F157-F187 HydrophobicContact CG-CZ 3.95Å; F157-F187 HydrophobicContact CZ-CE2 4.19Å; F157-F187 HydrophobicContact CZ-CZ 4.43Å; F157-I193 HydrophobicContact CE1-CD1 4.19Å
158V98.9Very high98.5Very high13 Ų1320.9 Ų20.98%0.07910%0.101CC..Hα-helixtrans-67.1-47.7174.8-179.40000110P16 M77 A104 F154 V155 E161 L162P16-V158 HydrophobicContact CB-CG2 4.28Å; M77-V158 HydrophobicContact CE-CG2 4.05Å; A104-V158 HydrophobicContact CB-CG1 3.78Å; F154-V158 PolarHBondContact O-N 2.68Å; V155-V158 PolarHBondContact O-N 2.98Å; V158-E161 PolarHBondContact O-N 3.41Å; V158-L162 HydrophobicContact CG1-CD1 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.29Å; V158-L162 PolarHBondContact O-N 3.24Å; V158-L162 VanDerWaalsContact O-N 3.16Å
159M98.9Very high98.5Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-68.4-38.8-179.9-75.3-52-62.500113L100 A104 F137 F147 V155 D156 E161 L162 L163 F183L100-M159 HydrophobicContact CD1-CE 4.44Å; L100-M159 HydrophobicContact CD1-CG 3.88Å; L100-M159 HydrophobicContact CD1-SD 3.72Å; L100-M159 HydrophobicContact CD2-CG 3.73Å; L100-M159 HydrophobicContact CG-CG 3.89Å; L100-M159 HydrophobicContact CG-SD 4.22Å; A104-M159 HydrophobicContact CB-SD 3.67Å; F137-M159 HydrophobicContact CB-CE 4.28Å; F137-M159 HydrophobicContact CD1-CE 3.6Å; F137-M159 HydrophobicContact CD1-SD 4.37Å; F137-M159 HydrophobicContact CD2-CE 4.01Å; F137-M159 HydrophobicContact CE1-CE 3.81Å; F137-M159 HydrophobicContact CE1-SD 4.12Å; F137-M159 HydrophobicContact CE2-CE 4.19Å; F137-M159 HydrophobicContact CG-CE 3.71Å; F137-M159 HydrophobicContact CZ-CE 4.1Å; F137-M159 HydrophobicContact CZ-SD 4.49Å; F147-M159 HydrophobicContact CD2-CB 3.91Å; F147-M159 HydrophobicContact CD2-CG 4.01Å; F147-M159 HydrophobicContact CE2-CB 3.49Å; F147-M159 VanDerWaalsContact CE2-CB 3.49Å; F147-M159 HydrophobicContact CE2-CG 3.79Å; F147-M159 HydrophobicContact CG-CG 4.48Å; F147-M159 HydrophobicContact CZ-CB 4.09Å; F147-M159 HydrophobicContact CZ-CE 4.02Å; F147-M159 HydrophobicContact CZ-CG 4.06Å; V155-M159 PolarHBondContact O-N 3.32Å; D156-M159 PolarHBondContact O-N 2.72Å; M159-E161 VanDerWaalsContact C-N 3.32Å; M159-E161 PolarHBondContact O-N 3.01Å; M159-L162 PolarHBondContact O-N 3.47Å; M159-L162 HydrophobicContact SD-CD1 4.34Å; M159-L163 HydrophobicContact CE-CD1 4.48Å; M159-L163 HydrophobicContact CE-CG 4.36Å; M159-L163 WeakPolarHBondContact O-CB 3.23Å; M159-L163 VanDerWaalsContact O-CG 3.29Å; M159-L163 WeakPolarHBondContact O-CG 3.07Å; M159-L163 PolarHBondContact O-N 2.68Å; M159-F183 HydrophobicContact CB-CE1 4.41Å; M159-F183 HydrophobicContact CB-CZ 4.26Å
160Y98.9Very high98.5Very high3 Ų324.3 Ų24.31%0.01212%0.115CC..Hα-helixtrans-53.9-51.5172.1170.9-96.3000110.9L19 D156 L162 L163 D164 L184 F187 E188 M197L19-Y160 HydrophobicContact CD1-CD1 3.63Å; L19-Y160 HydrophobicContact CD1-CE1 3.92Å; D156-Y160 VanDerWaalsContact O-CB 3.22Å; D156-Y160 WeakPolarHBondContact O-CB 3.48Å; D156-Y160 PolarHBondContact O-N 2.73Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 2.84Å; Y160-L163 PolarHBondContact O-N 3.26Å; Y160-D164 HydrophobicContact CE1-CB 4.4Å; Y160-D164 HydrophobicContact CE2-CB 4.45Å; Y160-D164 WeakPolarHBondContact O-CB 3.48Å; Y160-D164 PolarHBondContact O-N 3.06Å; Y160-L184 HydrophobicContact CD2-CD2 3.46Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.46Å; Y160-L184 HydrophobicContact CE2-CD2 3.68Å; Y160-L184 HydrophobicContact CG-CD2 4.43Å; Y160-F187 AromaticContact CD1-CD1 3.67Å; Y160-F187 HydrophobicContact CD1-CD1 3.67Å; Y160-F187 AromaticContact CD1-CE1 3.39Å; Y160-F187 HydrophobicContact CD1-CE1 3.39Å; Y160-F187 HydrophobicContact CD1-CZ 4.1Å; Y160-F187 HydrophobicContact CD2-CB 3.81Å; Y160-F187 AromaticContact CD2-CD1 3.23Å; Y160-F187 HydrophobicContact CD2-CD1 3.23Å; Y160-F187 AromaticContact CD2-CE1 3.89Å; Y160-F187 HydrophobicContact CD2-CE1 3.89Å; Y160-F187 AromaticContact CD2-CG 3.62Å; Y160-F187 HydrophobicContact CD2-CG 3.62Å; Y160-F187 HydrophobicContact CE1-CD1 4.05Å; Y160-F187 AromaticContact CE1-CE1 3.9Å; Y160-F187 HydrophobicContact CE1-CE1 3.9Å; Y160-F187 HydrophobicContact CE2-CB 4.45Å; Y160-F187 AromaticContact CE2-CD1 3.68Å; Y160-F187 HydrophobicContact CE2-CD1 3.68Å; Y160-F187 HydrophobicContact CE2-CE1 4.36Å; Y160-F187 HydrophobicContact CE2-CG 4.38Å; Y160-F187 HydrophobicContact CG-CB 4.41Å; Y160-F187 AromaticContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD2 4.31Å; Y160-F187 AromaticContact CG-CE1 3.4Å; Y160-F187 HydrophobicContact CG-CE1 3.4Å; Y160-F187 HydrophobicContact CG-CE2 4.43Å; Y160-F187 AromaticContact CG-CG 3.74Å; Y160-F187 HydrophobicContact CG-CG 3.74Å; Y160-F187 HydrophobicContact CG-CZ 4.01Å; Y160-E188 HydrophobicContact CE2-CG 3.55Å; Y160-E188 WeakPolarHBondContact CE2-OE1 3.42Å; Y160-E188 WeakPolarHBondContact OH-CG 3.19Å; Y160-E188 PolarHBondContact OH-OE1 3.28Å; Y160-M197 HydrophobicContact CE1-CE 3.61Å; Y160-M197 HydrophobicContact CE2-CE 4.44Å; Y160-M197 VanDerWaalsContact CZ-CE 3.44Å; Y160-M197 WeakPolarHBondContact OH-CE 3.45Å
161E98.7Very high98.4Very high4 Ų422.9 Ų22.92%0.01912%0.115CC..Hα-helixtrans-57.9-44.9-179.3175.160.5-166.200112R11 Q15 P16 F157 V158 M159 Q165R11-E161 WeakPolarHBondContact CD-OE1 3.37Å; R11-E161 WeakPolarHBondContact CG-OE1 3.43Å; R11-E161 IonicContact CZ-OE1 2.78Å; R11-E161 IonicContact CZ-OE2 3.66Å; R11-E161 VanDerWaalsContact CZ-OE2 3.25Å; R11-E161 IonicContact NE-OE1 2.68Å; R11-E161 PolarHBondContact NE-OE1 2.72Å; R11-E161 IonicContact NE-OE2 2.68Å; R11-E161 PolarHBondContact NE-OE2 3.18Å; R11-E161 IonicContact NH2-OE1 3.25Å; R11-E161 IonicContact NH2-OE2 3.36Å; R11-E161 PolarHBondContact NH2-OE2 2.88Å; Q15-E161 HydrophobicContact CB-CG 4.36Å; Q15-E161 WeakPolarHBondContact CG-OE2 3.45Å; P16-E161 HydrophobicContact CG-CB 3.8Å; P16-E161 HydrophobicContact CG-CG 3.87Å; F157-E161 PolarHBondContact O-N 3.26Å; V158-E161 PolarHBondContact O-N 3.41Å; M159-E161 VanDerWaalsContact C-N 3.32Å; M159-E161 PolarHBondContact O-N 3.01Å; E161-Q165 WeakPolarHBondContact O-CB 3.34Å; E161-Q165 VanDerWaalsContact O-CG 3.29Å; E161-Q165 WeakPolarHBondContact O-CG 3.35Å; E161-Q165 PolarHBondContact O-N 3.02Å; E161-Q165 PolarHBondContact OE1-NE2 2.89Å
162L98.6Very high98.4Very high3 Ų319.9 Ų19.92%0.01611%0.108CC..Hα-helixtrans-67.6-45.7-179.2-64.9175.3000111.7A104 F107 R108 V158 M159 Y160 Q165 H166A104-L162 HydrophobicContact CB-CD1 3.66Å; A104-L162 WeakPolarHBondContact O-CD1 3.48Å; F107-L162 HydrophobicContact CD1-CB 4.23Å; F107-L162 HydrophobicContact CD1-CD1 4.15Å; F107-L162 HydrophobicContact CE1-CB 4.32Å; R108-L162 HydrophobicContact CB-CD1 4.38Å; R108-L162 HydrophobicContact CB-CD2 3.58Å; R108-L162 HydrophobicContact CG-CD2 3.7Å; V158-L162 HydrophobicContact CG1-CD1 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.29Å; V158-L162 PolarHBondContact O-N 3.24Å; V158-L162 VanDerWaalsContact O-N 3.16Å; M159-L162 PolarHBondContact O-N 3.47Å; M159-L162 HydrophobicContact SD-CD1 4.34Å; Y160-L162 VanDerWaalsContact C-N 3.31Å; Y160-L162 PolarHBondContact O-N 2.84Å; L162-Q165 PolarHBondContact O-N 3.49Å; L162-H166 PolarHBondContact O-N 3.23Å; L162-H166 PolarHBondContact O-ND1 3.42Å
163L98.8Very high98.3Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-65.5-39.2179.6-68.6173.3000111.5L134 M159 Y160 H166 R167 L174 L180 F183 L184L134-L163 HydrophobicContact CD2-CD2 3.72Å; M159-L163 HydrophobicContact CE-CD1 4.48Å; M159-L163 HydrophobicContact CE-CG 4.36Å; M159-L163 WeakPolarHBondContact O-CB 3.23Å; M159-L163 VanDerWaalsContact O-CG 3.29Å; M159-L163 WeakPolarHBondContact O-CG 3.07Å; M159-L163 PolarHBondContact O-N 2.68Å; Y160-L163 PolarHBondContact O-N 3.26Å; L163-H166 PolarHBondContact O-N 3.08Å; L163-R167 PolarHBondContact O-N 3.16Å; L163-L174 HydrophobicContact CD2-CD2 4.05Å; L163-L180 HydrophobicContact CD1-CD2 4.17Å; L163-L180 HydrophobicContact CD2-CD1 4.26Å; L163-F183 HydrophobicContact CD1-CD1 3.8Å; L163-F183 HydrophobicContact CD1-CE1 3.89Å; L163-L184 HydrophobicContact CB-CD1 4.31Å; L163-L184 HydrophobicContact CB-CD2 3.78Å; L163-L184 HydrophobicContact CB-CG 4.29Å
164D98.6Very high98.3Very high10 Ų1019.3 Ų19.35%0.05311%0.105CC..Hα-helixtrans-65.9-43.9176.2-175.746.7000112R11 Y160 H166 R167 M168R11-D164 IonicContact CZ-OD2 2.98Å; R11-D164 IonicContact NH1-OD2 2.72Å; R11-D164 PolarHBondContact NH1-OD2 3.34Å; R11-D164 IonicContact NH2-OD2 3.62Å; R11-D164 PolarHBondContact NH2-OD2 2.74Å; Y160-D164 HydrophobicContact CE1-CB 4.4Å; Y160-D164 HydrophobicContact CE2-CB 4.45Å; Y160-D164 WeakPolarHBondContact O-CB 3.48Å; Y160-D164 PolarHBondContact O-N 3.06Å; D164-H166 PolarHBondContact O-N 2.98Å; D164-R167 PolarHBondContact O-N 3.09Å; D164-R167 IonicContact OD1-CZ 3.62Å; D164-R167 IonicContact OD1-NE 3.04Å; D164-R167 PolarHBondContact OD1-NE 3.46Å; D164-R167 IonicContact OD1-NH2 3.66Å; D164-R167 PolarHBondContact OD1-NH2 2.85Å; D164-M168 WeakPolarHBondContact O-CG 3.36Å; D164-M168 PolarHBondContact O-N 3.44Å
165Q98.3Very high98.2Very high5 Ų523.9 Ų23.92%0.02313%0.129CC..Hα-helixtrans-57.2-39.2173-75-176.97.300112.1F111 E161 L162 M168 F169 V207F111-Q165 HydrophobicContact CE1-CB 4.26Å; E161-Q165 WeakPolarHBondContact O-CB 3.34Å; E161-Q165 VanDerWaalsContact O-CG 3.29Å; E161-Q165 WeakPolarHBondContact O-CG 3.35Å; E161-Q165 PolarHBondContact O-N 3.02Å; E161-Q165 PolarHBondContact OE1-NE2 2.89Å; L162-Q165 PolarHBondContact O-N 3.49Å; Q165-M168 PolarHBondContact O-N 3.14Å; Q165-F169 VanDerWaalsContact O-CB 3.31Å; Q165-F169 WeakPolarHBondContact O-CB 3.35Å; Q165-F169 PolarHBondContact O-N 3.38Å; Q165-V207 HydrophobicContact CG-CG1 3.8Å
166H98.4Very high98.2Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-71.2-38.1177.8-7680.5000112.5F107 F111 Y126 L162 L163 D164 M168 F169 H170 C173F107-H166 AromaticContact CE1-CE1 3.38Å; F107-H166 WeakPolarHBondContact CE1-CE1 3.16Å; F107-H166 AromaticContact CE1-ND1 3.61Å; F107-H166 AromaticContact CE1-NE2 3.9Å; F107-H166 AromaticContact CE2-CE1 3.76Å; F107-H166 AromaticContact CE2-NE2 3.49Å; F107-H166 WeakPolarHBondContact CE2-NE2 3.15Å; F107-H166 AromaticContact CZ-CD2 3.6Å; F107-H166 AromaticContact CZ-CE1 3.15Å; F107-H166 WeakPolarHBondContact CZ-CE1 3.49Å; F107-H166 AromaticContact CZ-CG 3.83Å; F107-H166 AromaticContact CZ-ND1 3.58Å; F107-H166 AromaticContact CZ-NE2 3.16Å; F107-H166 WeakPolarHBondContact CZ-NE2 3.38Å; F111-H166 AromaticContact CD2-NE2 3.67Å; F111-H166 AromaticContact CG-CE1 3.81Å; F111-H166 AromaticContact CG-NE2 3.76Å; Y126-H166 AromaticContact CE1-NE2 3.84Å; Y126-H166 AromaticContact CZ-NE2 3.69Å; Y126-H166 PolarHBondContact OH-NE2 2.99Å; L162-H166 PolarHBondContact O-N 3.23Å; L162-H166 PolarHBondContact O-ND1 3.42Å; L163-H166 PolarHBondContact O-N 3.08Å; D164-H166 PolarHBondContact O-N 2.98Å; H166-M168 VanDerWaalsContact C-N 3.31Å; H166-M168 PolarHBondContact O-N 3.46Å; H166-F169 PolarHBondContact O-N 3.15Å; H166-F169 VanDerWaalsContact O-N 3.16Å; H166-H170 PolarHBondContact O-N 3.4Å; H166-C173 PolarHBondContact O-SG 2.86Å
167R97.4Very high98.2Very high75 Ų7531 Ų3128%0.28317%0.167SC..Hα-helixtrans-60.8-38.9170.7179.7177.365.7178.12.1111.6L163 D164 H170 S171 L174 E188L163-R167 PolarHBondContact O-N 3.16Å; D164-R167 PolarHBondContact O-N 3.09Å; D164-R167 IonicContact OD1-CZ 3.62Å; D164-R167 IonicContact OD1-NE 3.04Å; D164-R167 PolarHBondContact OD1-NE 3.46Å; D164-R167 IonicContact OD1-NH2 3.66Å; D164-R167 PolarHBondContact OD1-NH2 2.85Å; R167-H170 CarbonylContact O-C 3.58Å; R167-S171 WeakPolarHBondContact O-CA 3.24Å; R167-S171 PolarHBondContact O-N 3.16Å; R167-L174 HydrophobicContact CB-CD1 4.41Å; R167-E188 IonicContact CZ-OE1 3.26Å; R167-E188 IonicContact NH1-OE1 2.59Å; R167-E188 IonicContact NH1-OE2 3.18Å; R167-E188 IonicContact NH2-OE1 3.48Å; R167-E188 PolarHBondContact NH2-OE1 2.94Å; R167-E188 IonicContact NH2-OE2 2.68Å
168M97.4Very high98.2Very high59 Ų5937.3 Ų37.329%0.29119%0.194SC..Hα-helixtrans-68-36.3173.4-66.7173.366.700112.4R11 D164 Q165 H166 T205 V207 W214R11-M168 PolarHBondContact NH1-SD 3.26Å; D164-M168 WeakPolarHBondContact O-CG 3.36Å; D164-M168 PolarHBondContact O-N 3.44Å; Q165-M168 PolarHBondContact O-N 3.14Å; H166-M168 VanDerWaalsContact C-N 3.31Å; H166-M168 PolarHBondContact O-N 3.46Å; M168-T205 HydrophobicContact CE-CG2 3.87Å; M168-V207 HydrophobicContact CE-CG2 3.78Å; M168-V207 HydrophobicContact SD-CG2 4.3Å; M168-W214 HydrophobicContact CB-CH2 4.25Å; M168-W214 HydrophobicContact CB-CZ2 4.26Å
169F97.5Very high98.1Very high14 Ų1438.6 Ų38.66%0.06120%0.2CC..Hα-helixtrans-74.7-41.7-178.3172.2-113.7000113.5F111 L114 F119 K123 Y126 L127 Q165 H166 W214F111-F169 HydrophobicContact CE2-CB 4.12Å; F111-F169 AromaticContact CE2-CD1 3.72Å; F111-F169 HydrophobicContact CE2-CD1 3.72Å; F111-F169 AromaticContact CE2-CD2 3.9Å; F111-F169 HydrophobicContact CE2-CD2 3.9Å; F111-F169 HydrophobicContact CE2-CE1 4.04Å; F111-F169 HydrophobicContact CE2-CE2 4.21Å; F111-F169 AromaticContact CE2-CG 3.63Å; F111-F169 HydrophobicContact CE2-CG 3.63Å; F111-F169 HydrophobicContact CE2-CZ 4.27Å; F111-F169 HydrophobicContact CZ-CB 3.84Å; F111-F169 HydrophobicContact CZ-CD1 4.32Å; F111-F169 HydrophobicContact CZ-CD2 4.06Å; F111-F169 AromaticContact CZ-CG 3.82Å; F111-F169 HydrophobicContact CZ-CG 3.82Å; L114-F169 HydrophobicContact CD2-CE1 4.29Å; L114-F169 HydrophobicContact CD2-CE2 4.37Å; L114-F169 HydrophobicContact CD2-CZ 3.71Å; F119-F169 AromaticContact CE2-CE2 3.65Å; F119-F169 HydrophobicContact CE2-CE2 3.65Å; F119-F169 HydrophobicContact CE2-CZ 4.35Å; F119-F169 AromaticContact CZ-CE2 3.66Å; F119-F169 HydrophobicContact CZ-CE2 3.66Å; F119-F169 HydrophobicContact CZ-CZ 4.49Å; K123-F169 HydrophobicContact CD-CE2 4.33Å; K123-F169 HydrophobicContact CD-CZ 4.15Å; K123-F169 HydrophobicContact CG-CZ 4.03Å; Y126-F169 HydrophobicContact CD1-CE1 4.07Å; Y126-F169 HydrophobicContact CE1-CE1 4.24Å; L127-F169 HydrophobicContact CD2-CD1 4.37Å; L127-F169 HydrophobicContact CD2-CE1 3.64Å; L127-F169 HydrophobicContact CD2-CZ 4.38Å; L127-F169 HydrophobicContact CG-CE1 4.38Å; Q165-F169 VanDerWaalsContact O-CB 3.31Å; Q165-F169 WeakPolarHBondContact O-CB 3.35Å; Q165-F169 PolarHBondContact O-N 3.38Å; H166-F169 PolarHBondContact O-N 3.15Å; H166-F169 VanDerWaalsContact O-N 3.16Å; F169-W214 HydrophobicContact CB-CH2 3.85Å; F169-W214 HydrophobicContact CB-CZ2 3.62Å; F169-W214 AromaticContact CD2-CD2 3.89Å; F169-W214 HydrophobicContact CD2-CD2 3.89Å; F169-W214 AromaticContact CD2-CE2 3.7Å; F169-W214 HydrophobicContact CD2-CE3 4.48Å; F169-W214 HydrophobicContact CD2-CG 4.15Å; F169-W214 HydrophobicContact CD2-CZ2 4.15Å; F169-W214 AromaticContact CD2-NE1 3.78Å; F169-W214 HydrophobicContact CG-CZ2 4.4Å
170H97.5Very high98.1Very high67 Ų6738.6 Ų38.631%0.3120%0.2SC..SBendtrans-146.995.4179.4-172.951.9000109L127 H166 R167 S172 C173L127-H170 HydrophobicContact CD2-CB 3.99Å; H166-H170 PolarHBondContact O-N 3.4Å; R167-H170 CarbonylContact O-C 3.58Å; H170-S172 PolarHBondContact CE1-OG 3.27Å; H170-S172 PolarHBondContact NE2-OG 2.9Å; H170-S172 PolarHBondContact O-N 3.16Å; H170-S172 VanDerWaalsContact O-N 3.11Å; H170-C173 HydrophobicContact CB-CB 4.26Å; H170-C173 VanDerWaalsContact O-CB 3.27Å; H170-C173 WeakPolarHBondContact O-CB 3.29Å; H170-C173 PolarHBondContact O-N 3.2Å; H170-C173 PolarHBondContact O-SG 3.01Å
171S97.1Very high98.1Very high99 Ų9941.7 Ų41.769%0.69221%0.214SC*.THydrogen-bonded Turntrans-56.9-32.2-167.655.70000115.2R167R167-S171 WeakPolarHBondContact O-CA 3.24Å; R167-S171 PolarHBondContact O-N 3.16Å
172S97.3Very high98.1Very high48 Ų4844 Ų4434%0.33623%0.227SC..THydrogen-bonded Turntrans-85.80.617953.90000114.1H170 L174 D175H170-S172 PolarHBondContact CE1-OG 3.27Å; H170-S172 PolarHBondContact NE2-OG 2.9Å; H170-S172 PolarHBondContact O-N 3.16Å; H170-S172 VanDerWaalsContact O-N 3.11Å; S172-L174 PolarHBondContact O-N 2.99Å; S172-L174 VanDerWaalsContact O-N 3.08Å; S172-D175 WeakPolarHBondContact CA-OD2 3.42Å; S172-D175 WeakPolarHBondContact CB-OD2 3.43Å; S172-D175 WeakPolarHBondContact O-CB 3.39Å; S172-D175 PolarHBondContact O-N 3.24Å; S172-D175 VanDerWaalsContact O-N 3.14Å
173C98Very high98.2Very high0 Ų044 Ų440%023%0.226CC..THydrogen-bonded Turntrans-62.1-23.1-172.6670000114.1L130 Q131 L134 H166 H170L130-C173 HydrophobicContact CD2-CB 3.88Å; Q131-C173 PolarHBondContact NE2-O 2.97Å; L134-C173 HydrophobicContact CD1-CB 3.95Å; L134-C173 VanDerWaalsContact CD1-O 3.24Å; L134-C173 WeakPolarHBondContact CD1-O 3.39Å; H166-C173 PolarHBondContact O-SG 2.86Å; H170-C173 HydrophobicContact CB-CB 4.26Å; H170-C173 VanDerWaalsContact O-CB 3.27Å; H170-C173 WeakPolarHBondContact O-CB 3.29Å; H170-C173 PolarHBondContact O-N 3.2Å; H170-C173 PolarHBondContact O-SG 3.01Å
174L98.1Very high98.2Very high6 Ų644 Ų443%0.03123%0.226CC..THydrogen-bonded Turntrans-102.45.4-178.6-59.6175.1000113.7L134 L163 R167 S172 D176 F177 L180 K181 L184L134-L174 HydrophobicContact CD1-CD2 3.99Å; L134-L174 HydrophobicContact CD2-CD2 3.91Å; L134-L174 HydrophobicContact CG-CD2 4.48Å; L163-L174 HydrophobicContact CD2-CD2 4.05Å; R167-L174 HydrophobicContact CB-CD1 4.41Å; S172-L174 PolarHBondContact O-N 2.99Å; S172-L174 VanDerWaalsContact O-N 3.08Å; L174-D176 PolarHBondContact O-N 3.16Å; L174-F177 HydrophobicContact CD2-CD2 4.5Å; L174-F177 PolarHBondContact O-N 2.81Å; L174-L180 HydrophobicContact CD2-CB 4.24Å; L174-L180 HydrophobicContact CD2-CD1 4.05Å; L174-K181 HydrophobicContact CB-CD 4.36Å; L174-K181 HydrophobicContact CB-CG 3.84Å; L174-K181 WeakPolarHBondContact O-CD 3.42Å; L174-K181 WeakPolarHBondContact O-CE 3.34Å; L174-L184 HydrophobicContact CD1-CD1 3.44Å; L174-L184 VanDerWaalsContact CD1-CD1 3.44Å
175D97.9Very high98.2Very high95 Ų9547.9 Ų47.951%0.50825%0.247SC..THydrogen-bonded Turntrans-59.6-37.8-172.1-76.1-16.5000112.5S172 F177 K181S172-D175 WeakPolarHBondContact CA-OD2 3.42Å; S172-D175 WeakPolarHBondContact CB-OD2 3.43Å; S172-D175 WeakPolarHBondContact O-CB 3.39Å; S172-D175 PolarHBondContact O-N 3.24Å; S172-D175 VanDerWaalsContact O-N 3.14Å; D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 2.86Å; D175-K181 PolarHBondContact O-NZ 2.82Å
176D97.9Very high98.2Very high133 Ų13352.2 Ų52.271%0.71126%0.263SS*.THydrogen-bonded Turntrans-81.3-7.6179.6-62.9-33.8000114L174L174-D176 PolarHBondContact O-N 3.16Å
177F98.4Very high98.2Very high18 Ų1852.2 Ų52.28%0.07926%0.263CS..  trans-117.277.6-174.4-50.3-64.2000111.3Q131 L134 K135 L174 D175 N179 L180 K181Q131-F177 WeakPolarHBondContact O-CZ 3.5Å; L134-F177 HydrophobicContact CB-CD2 3.78Å; L134-F177 HydrophobicContact CB-CE2 3.36Å; L134-F177 HydrophobicContact CB-CZ 3.94Å; L134-F177 HydrophobicContact CD1-CD2 4.41Å; L134-F177 HydrophobicContact CD1-CE2 4.1Å; L134-F177 HydrophobicContact CG-CE2 4.39Å; K135-F177 VanDerWaalsContact CA-CE1 3.5Å; K135-F177 HydrophobicContact CB-CE1 3.71Å; K135-F177 HydrophobicContact CB-CZ 3.99Å; K135-F177 HydrophobicContact CG-CE1 4.08Å; L174-F177 HydrophobicContact CD2-CD2 4.5Å; L174-F177 PolarHBondContact O-N 2.81Å; D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 2.86Å; F177-N179 VanDerWaalsContact C-N 3.32Å; F177-N179 PolarHBondContact O-N 2.98Å; F177-L180 HydrophobicContact CB-CB 4.01Å; F177-L180 HydrophobicContact CB-CD1 3.82Å; F177-L180 HydrophobicContact CB-CG 3.96Å; F177-L180 HydrophobicContact CD2-CD1 4.38Å; F177-L180 HydrophobicContact CG-CD1 4.14Å; F177-L180 PolarHBondContact O-N 3.16Å; F177-L180 VanDerWaalsContact O-N 3.16Å; F177-K181 PolarHBondContact O-N 3.38Å; F177-K181 VanDerWaalsContact O-N 3.14Å
178K98.6Very high98.3Very high131 Ų13151 Ų5157%0.5726%0.261SS*.Hα-helixtrans-55-44.7-177.9-169.5-167.9-179.9-53.20112.8L180 K181 D182K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 2.89Å; K178-K181 PolarHBondContact O-N 3.34Å; K178-D182 IonicContact NZ-OD1 3.52Å; K178-D182 PolarHBondContact NZ-OD1 3.48Å; K178-D182 IonicContact NZ-OD2 2.78Å; K178-D182 PolarHBondContact NZ-OD2 2.93Å; K178-D182 WeakPolarHBondContact O-CB 3.42Å; K178-D182 PolarHBondContact O-N 3.47Å
179N98.8Very high98.4Very high40 Ų4051.9 Ų51.921%0.21428%0.277CS..Hα-helixtrans-62.1-35.6179.659.9-16000113.2S138 L141 G142 F177 F183S138-N179 PolarHBondContact O-ND2 2.81Å; S138-N179 PolarHBondContact OG-ND2 3.03Å; S138-N179 PolarHBondContact OG-OD1 2.94Å; L141-N179 HydrophobicContact CD2-CB 4.26Å; G142-N179 PolarHBondContact O-ND2 3.11Å; F177-N179 VanDerWaalsContact C-N 3.32Å; F177-N179 PolarHBondContact O-N 2.98Å; N179-F183 WeakPolarHBondContact O-CB 3.44Å; N179-F183 PolarHBondContact O-N 3.39Å
180L98.9Very high98.4Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-70.3-37.6174.4-63.6-175.8000112L134 L141 F147 L163 L174 F177 K178 F183 L184L134-L180 HydrophobicContact CD2-CD1 4.49Å; L141-L180 HydrophobicContact CD2-CD2 3.97Å; F147-L180 HydrophobicContact CZ-CD2 4.1Å; L163-L180 HydrophobicContact CD1-CD2 4.17Å; L163-L180 HydrophobicContact CD2-CD1 4.26Å; L174-L180 HydrophobicContact CD2-CB 4.24Å; L174-L180 HydrophobicContact CD2-CD1 4.05Å; F177-L180 HydrophobicContact CB-CB 4.01Å; F177-L180 HydrophobicContact CB-CD1 3.82Å; F177-L180 HydrophobicContact CB-CG 3.96Å; F177-L180 HydrophobicContact CD2-CD1 4.38Å; F177-L180 HydrophobicContact CG-CD1 4.14Å; F177-L180 PolarHBondContact O-N 3.16Å; F177-L180 VanDerWaalsContact O-N 3.16Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 2.89Å; L180-F183 WeakPolarHBondContact O-CB 3.34Å; L180-F183 PolarHBondContact O-N 3.49Å; L180-L184 PolarHBondContact O-N 3.08Å; L180-L184 VanDerWaalsContact O-N 3.07Å
181K98.8Very high98.5Very high69 Ų6957.7 Ų57.730%0.331%0.306SS..Hα-helixtrans-63.7-48.1171.7-67.3-174.5-63-162.40111.1L174 D175 F177 K178 F183 L184 D185L174-K181 HydrophobicContact CB-CD 4.36Å; L174-K181 HydrophobicContact CB-CG 3.84Å; L174-K181 WeakPolarHBondContact O-CD 3.42Å; L174-K181 WeakPolarHBondContact O-CE 3.34Å; D175-K181 PolarHBondContact O-NZ 2.82Å; F177-K181 PolarHBondContact O-N 3.38Å; F177-K181 VanDerWaalsContact O-N 3.14Å; K178-K181 PolarHBondContact O-N 3.34Å; K181-F183 PolarHBondContact O-N 3.08Å; K181-L184 WeakPolarHBondContact O-CB 3.46Å; K181-L184 PolarHBondContact O-N 3.35Å; K181-L184 VanDerWaalsContact O-N 3.11Å; K181-D185 PolarHBondContact O-N 3.23Å
182D98.8Very high98.5Very high52 Ų5257.4 Ų57.428%0.27829%0.292SS..Hα-helixtrans-59.6-34.9176.5-65.7-12000111.6K178 R186K178-D182 IonicContact NZ-OD1 3.52Å; K178-D182 PolarHBondContact NZ-OD1 3.48Å; K178-D182 IonicContact NZ-OD2 2.78Å; K178-D182 PolarHBondContact NZ-OD2 2.93Å; K178-D182 WeakPolarHBondContact O-CB 3.42Å; K178-D182 PolarHBondContact O-N 3.47Å; D182-R186 WeakPolarHBondContact O-CB 3.34Å; D182-R186 PolarHBondContact O-N 3.01Å
183F98.9Very high98.6Very high2 Ų255.1 Ų55.11%0.00928%0.276CS..Hα-helixtrans-64.5-47.2173.9164.3-93.3000112L141 W146 F147 D156 M159 L163 N179 L180 K181 R186 F187L141-F183 HydrophobicContact CD2-CB 3.98Å; W146-F183 HydrophobicContact CE3-CD2 4.14Å; W146-F183 AromaticContact CE3-CE2 3.83Å; W146-F183 HydrophobicContact CE3-CE2 3.83Å; W146-F183 HydrophobicContact CZ3-CD2 4.31Å; W146-F183 HydrophobicContact CZ3-CE2 4.05Å; F147-F183 HydrophobicContact CD2-CD2 4.18Å; F147-F183 AromaticContact CD2-CE2 3.64Å; F147-F183 HydrophobicContact CD2-CE2 3.64Å; F147-F183 AromaticContact CD2-CZ 3.88Å; F147-F183 HydrophobicContact CD2-CZ 3.88Å; F147-F183 HydrophobicContact CE2-CD1 4.14Å; F147-F183 AromaticContact CE2-CD2 3.97Å; F147-F183 HydrophobicContact CE2-CD2 3.97Å; F147-F183 AromaticContact CE2-CE1 3.85Å; F147-F183 HydrophobicContact CE2-CE1 3.85Å; F147-F183 AromaticContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CE2 3.65Å; F147-F183 HydrophobicContact CE2-CG 4.21Å; F147-F183 AromaticContact CE2-CZ 3.6Å; F147-F183 HydrophobicContact CE2-CZ 3.6Å; D156-F183 HydrophobicContact CB-CE2 4.07Å; D156-F183 HydrophobicContact CB-CZ 4.24Å; D156-F183 WeakPolarHBondContact O-CZ 3.22Å; M159-F183 HydrophobicContact CB-CE1 4.41Å; M159-F183 HydrophobicContact CB-CZ 4.26Å; L163-F183 HydrophobicContact CD1-CD1 3.8Å; L163-F183 HydrophobicContact CD1-CE1 3.89Å; N179-F183 WeakPolarHBondContact O-CB 3.44Å; N179-F183 PolarHBondContact O-N 3.39Å; L180-F183 WeakPolarHBondContact O-CB 3.34Å; L180-F183 PolarHBondContact O-N 3.49Å; K181-F183 PolarHBondContact O-N 3.08Å; F183-R186 PolarHBondContact O-N 3.26Å; F183-F187 WeakPolarHBondContact O-CB 3.31Å; F183-F187 PolarHBondContact O-N 2.94Å
184L98.9Very high98.7Very high1 Ų156.3 Ų56.31%0.00529%0.286CS..Hα-helixtrans-58.8-50.2175.9-73.1177.7000111Y160 L163 L174 L180 K181 R186 F187 E188Y160-L184 HydrophobicContact CD2-CD2 3.46Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.46Å; Y160-L184 HydrophobicContact CE2-CD2 3.68Å; Y160-L184 HydrophobicContact CG-CD2 4.43Å; L163-L184 HydrophobicContact CB-CD1 4.31Å; L163-L184 HydrophobicContact CB-CD2 3.78Å; L163-L184 HydrophobicContact CB-CG 4.29Å; L174-L184 HydrophobicContact CD1-CD1 3.44Å; L174-L184 VanDerWaalsContact CD1-CD1 3.44Å; L180-L184 PolarHBondContact O-N 3.08Å; L180-L184 VanDerWaalsContact O-N 3.07Å; K181-L184 WeakPolarHBondContact O-CB 3.46Å; K181-L184 PolarHBondContact O-N 3.35Å; K181-L184 VanDerWaalsContact O-N 3.11Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.09Å; L184-F187 PolarHBondContact O-N 3.11Å; L184-E188 WeakPolarHBondContact O-CG 3.41Å; L184-E188 PolarHBondContact O-N 3.43Å
185D98.8Very high98.7Very high92 Ų9258.9 Ų58.949%0.49231%0.308SS..Hα-helixtrans-60.2-42.2-179.7-66.6-15.8000111.2K181 A189K181-D185 PolarHBondContact O-N 3.23Å; D185-A189 VanDerWaalsContact O-CB 3.26Å; D185-A189 WeakPolarHBondContact O-CB 3.4Å; D185-A189 PolarHBondContact O-N 3.39Å
186R98.9Very high98.7Very high96 Ų9654.5 Ų54.536%0.36228%0.284SS..Hα-helixtrans-64.8-41.3177.4-172.5-170.2-42.1-60.9-2.5112.3W146 D182 F183 L184 A189W146-R186 HydrophobicContact CH2-CG 3.9Å; W146-R186 HydrophobicContact CZ2-CG 4.1Å; D182-R186 WeakPolarHBondContact O-CB 3.34Å; D182-R186 PolarHBondContact O-N 3.01Å; F183-R186 PolarHBondContact O-N 3.26Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.09Å; R186-A189 PolarHBondContact O-N 3.13Å
187F98.9Very high98.8Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-66.5-45.6178.6-173.3-83.6000111L19 W146 I152 F157 Y160 F183 L184 A189 L190 I193L19-F187 HydrophobicContact CD1-CE1 4.27Å; L19-F187 HydrophobicContact CD1-CZ 4.41Å; L19-F187 HydrophobicContact CD2-CE1 4.36Å; W146-F187 HydrophobicContact CZ3-CB 4.21Å; W146-F187 HydrophobicContact CZ3-CD2 4.02Å; I152-F187 HydrophobicContact CD1-CD2 4.25Å; I152-F187 HydrophobicContact CD1-CE2 4.2Å; F157-F187 HydrophobicContact CB-CE2 4.43Å; F157-F187 HydrophobicContact CB-CZ 4.37Å; F157-F187 AromaticContact CD1-CE2 3.84Å; F157-F187 HydrophobicContact CD1-CE2 3.84Å; F157-F187 AromaticContact CD1-CZ 3.51Å; F157-F187 HydrophobicContact CD1-CZ 3.51Å; F157-F187 HydrophobicContact CD2-CE2 4.18Å; F157-F187 AromaticContact CE1-CE2 3.98Å; F157-F187 HydrophobicContact CE1-CE2 3.98Å; F157-F187 AromaticContact CE1-CZ 3.77Å; F157-F187 HydrophobicContact CE1-CZ 3.77Å; F157-F187 HydrophobicContact CE2-CE2 4.32Å; F157-F187 AromaticContact CG-CE2 3.91Å; F157-F187 HydrophobicContact CG-CE2 3.91Å; F157-F187 AromaticContact CG-CZ 3.95Å; F157-F187 HydrophobicContact CG-CZ 3.95Å; F157-F187 HydrophobicContact CZ-CE2 4.19Å; F157-F187 HydrophobicContact CZ-CZ 4.43Å; Y160-F187 AromaticContact CD1-CD1 3.67Å; Y160-F187 HydrophobicContact CD1-CD1 3.67Å; Y160-F187 AromaticContact CD1-CE1 3.39Å; Y160-F187 HydrophobicContact CD1-CE1 3.39Å; Y160-F187 HydrophobicContact CD1-CZ 4.1Å; Y160-F187 HydrophobicContact CD2-CB 3.81Å; Y160-F187 AromaticContact CD2-CD1 3.23Å; Y160-F187 HydrophobicContact CD2-CD1 3.23Å; Y160-F187 AromaticContact CD2-CE1 3.89Å; Y160-F187 HydrophobicContact CD2-CE1 3.89Å; Y160-F187 AromaticContact CD2-CG 3.62Å; Y160-F187 HydrophobicContact CD2-CG 3.62Å; Y160-F187 HydrophobicContact CE1-CD1 4.05Å; Y160-F187 AromaticContact CE1-CE1 3.9Å; Y160-F187 HydrophobicContact CE1-CE1 3.9Å; Y160-F187 HydrophobicContact CE2-CB 4.45Å; Y160-F187 AromaticContact CE2-CD1 3.68Å; Y160-F187 HydrophobicContact CE2-CD1 3.68Å; Y160-F187 HydrophobicContact CE2-CE1 4.36Å; Y160-F187 HydrophobicContact CE2-CG 4.38Å; Y160-F187 HydrophobicContact CG-CB 4.41Å; Y160-F187 AromaticContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD1 3.24Å; Y160-F187 HydrophobicContact CG-CD2 4.31Å; Y160-F187 AromaticContact CG-CE1 3.4Å; Y160-F187 HydrophobicContact CG-CE1 3.4Å; Y160-F187 HydrophobicContact CG-CE2 4.43Å; Y160-F187 AromaticContact CG-CG 3.74Å; Y160-F187 HydrophobicContact CG-CG 3.74Å; Y160-F187 HydrophobicContact CG-CZ 4.01Å; F183-F187 WeakPolarHBondContact O-CB 3.31Å; F183-F187 PolarHBondContact O-N 2.94Å; L184-F187 PolarHBondContact O-N 3.11Å; F187-A189 PolarHBondContact O-N 3.14Å; F187-L190 HydrophobicContact CD2-CD1 4.16Å; F187-L190 HydrophobicContact CE2-CD1 4.48Å; F187-L190 HydrophobicContact CG-CD1 4.43Å; F187-L190 WeakPolarHBondContact O-CB 3.4Å; F187-L190 VanDerWaalsContact O-CG 3.32Å; F187-L190 WeakPolarHBondContact O-CG 3.48Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-L190 VanDerWaalsContact O-N 3.15Å; F187-I193 HydrophobicContact CD1-CG2 4.05Å; F187-I193 HydrophobicContact CE1-CD1 4.3Å; F187-I193 HydrophobicContact CE1-CG1 4.13Å; F187-I193 HydrophobicContact CE1-CG2 3.84Å; F187-I193 HydrophobicContact CZ-CD1 4.34Å; F187-I193 HydrophobicContact CZ-CG1 4.38Å
188E98.8Very high98.7Very high50 Ų5058 Ų5823%0.23429%0.294CS..Hα-helixtrans-65.9-27.7178.1-69.2176.9-178.700112.5Y160 R167 L184 L190 A194 M197Y160-E188 HydrophobicContact CE2-CG 3.55Å; Y160-E188 WeakPolarHBondContact CE2-OE1 3.42Å; Y160-E188 WeakPolarHBondContact OH-CG 3.19Å; Y160-E188 PolarHBondContact OH-OE1 3.28Å; R167-E188 IonicContact CZ-OE1 3.26Å; R167-E188 IonicContact NH1-OE1 2.59Å; R167-E188 IonicContact NH1-OE2 3.18Å; R167-E188 IonicContact NH2-OE1 3.48Å; R167-E188 PolarHBondContact NH2-OE1 2.94Å; R167-E188 IonicContact NH2-OE2 2.68Å; L184-E188 WeakPolarHBondContact O-CG 3.41Å; L184-E188 PolarHBondContact O-N 3.43Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.4Å; E188-A194 WeakPolarHBondContact O-CB 3.44Å; E188-M197 HydrophobicContact CB-SD 4.42Å; E188-M197 HydrophobicContact CG-CE 4.08Å; E188-M197 HydrophobicContact CG-SD 4.02Å
189A98.8Very high98.7Very high76 Ų7653.6 Ų53.663%0.62828%0.28SS*.THydrogen-bonded Turntrans-77.8-7.6175.600000114.5D185 R186 F187 E191D185-A189 VanDerWaalsContact O-CB 3.26Å; D185-A189 WeakPolarHBondContact O-CB 3.4Å; D185-A189 PolarHBondContact O-N 3.39Å; R186-A189 PolarHBondContact O-N 3.13Å; F187-A189 PolarHBondContact O-N 3.14Å; A189-E191 PolarHBondContact O-N 2.99Å
190L98.8Very high98.6Very high34 Ų3457.9 Ų57.918%0.17831%0.313CS..SBendtrans-62.1123.9173.8-66.1170.6000109.3Y23 W146 I152 F187 E188 K192 I193 A194Y23-L190 HydrophobicContact CD2-CD1 4.13Å; Y23-L190 HydrophobicContact CE2-CD1 3.93Å; Y23-L190 HydrophobicContact CE2-CD2 4.32Å; W146-L190 HydrophobicContact CH2-CD1 3.91Å; W146-L190 HydrophobicContact CH2-CD2 4.22Å; W146-L190 HydrophobicContact CH2-CG 4.23Å; W146-L190 HydrophobicContact CZ2-CD1 4.47Å; W146-L190 HydrophobicContact CZ2-CD2 4.13Å; I152-L190 HydrophobicContact CD1-CD1 3.68Å; F187-L190 HydrophobicContact CD2-CD1 4.16Å; F187-L190 HydrophobicContact CE2-CD1 4.48Å; F187-L190 HydrophobicContact CG-CD1 4.43Å; F187-L190 WeakPolarHBondContact O-CB 3.4Å; F187-L190 VanDerWaalsContact O-CG 3.32Å; F187-L190 WeakPolarHBondContact O-CG 3.48Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-L190 VanDerWaalsContact O-N 3.15Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.4Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.06Å; L190-K192 VanDerWaalsContact O-N 3.11Å; L190-I193 HydrophobicContact CB-CB 4.02Å; L190-I193 HydrophobicContact CB-CG1 3.87Å; L190-I193 HydrophobicContact CD1-CG1 4.12Å; L190-I193 CarbonylContact O-C 3.54Å; L190-I193 WeakPolarHBondContact O-CA 3.4Å; L190-I193 WeakPolarHBondContact O-CB 3.27Å; L190-I193 PolarHBondContact O-N 3.31Å; L190-A194 PolarHBondContact O-N 3.44Å
191E98.7Very high98.5Very high169 Ų16964.6 Ų64.679%0.7934%0.338SS*.Hα-helixtrans-46.4-50.9-170.2-175.2-174.7167.200113.8A189 I193 A194 A195A189-E191 PolarHBondContact O-N 2.99Å; E191-I193 PolarHBondContact O-N 2.98Å; E191-A194 PolarHBondContact O-N 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.18Å; E191-A195 PolarHBondContact O-N 2.92Å
192K98.6Very high98.5Very high94 Ų9463.1 Ų63.141%0.40933%0.332SS..Hα-helixtrans-68.2-33.6179.7-69.3178.5173.2-171.70113.4Y23 T24 L190 Y196Y23-K192 WeakPolarHBondContact O-CD 3.34Å; Y23-K192 PolarHBondContact O-NZ 2.64Å; T24-K192 PolarHBondContact O-NZ 3.01Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.06Å; L190-K192 VanDerWaalsContact O-N 3.11Å; K192-Y196 VanDerWaalsContact O-CB 3.32Å; K192-Y196 WeakPolarHBondContact O-CB 3.17Å; K192-Y196 PolarHBondContact O-N 3.35Å
193I98.9Very high98.4Very high0 Ų061.8 Ų61.80%032%0.324CS..Hα-helixtrans-71.3-47.8176-61.3-55.4000110.1L19 Y23 F157 F187 L190 E191 A195 Y196 M197L19-I193 HydrophobicContact CB-CD1 4.3Å; L19-I193 HydrophobicContact CD2-CD1 4.1Å; L19-I193 HydrophobicContact CD2-CG2 4.31Å; L19-I193 WeakPolarHBondContact O-CD1 3.37Å; Y23-I193 HydrophobicContact CD2-CG1 4.38Å; F157-I193 HydrophobicContact CE1-CD1 4.19Å; F187-I193 HydrophobicContact CD1-CG2 4.05Å; F187-I193 HydrophobicContact CE1-CD1 4.3Å; F187-I193 HydrophobicContact CE1-CG1 4.13Å; F187-I193 HydrophobicContact CE1-CG2 3.84Å; F187-I193 HydrophobicContact CZ-CD1 4.34Å; F187-I193 HydrophobicContact CZ-CG1 4.38Å; L190-I193 HydrophobicContact CB-CB 4.02Å; L190-I193 HydrophobicContact CB-CG1 3.87Å; L190-I193 HydrophobicContact CD1-CG1 4.12Å; L190-I193 CarbonylContact O-C 3.54Å; L190-I193 WeakPolarHBondContact O-CA 3.4Å; L190-I193 WeakPolarHBondContact O-CB 3.27Å; L190-I193 PolarHBondContact O-N 3.31Å; E191-I193 PolarHBondContact O-N 2.98Å; I193-A195 VanDerWaalsContact C-N 3.27Å; I193-A195 PolarHBondContact O-N 2.79Å; I193-Y196 PolarHBondContact O-N 2.97Å; I193-Y196 VanDerWaalsContact O-N 3.15Å; I193-M197 HydrophobicContact CG2-CE 3.42Å; I193-M197 VanDerWaalsContact CG2-CE 3.42Å; I193-M197 HydrophobicContact CG2-CG 4.3Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CB 3.3Å; I193-M197 WeakPolarHBondContact O-CG 3.45Å; I193-M197 PolarHBondContact O-N 2.73Å
194A98.8Very high98.3Very high24 Ų2467.3 Ų67.320%0.19835%0.348CS..Hα-helixtrans-57.2-41.4175.800000111.8E188 L190 E191 K198E188-A194 WeakPolarHBondContact O-CB 3.44Å; L190-A194 PolarHBondContact O-N 3.44Å; E191-A194 PolarHBondContact O-N 3.37Å; A194-K198 WeakPolarHBondContact O-CG 3.37Å; A194-K198 PolarHBondContact O-N 3.4Å
195A98.8Very high98.3Very high60 Ų6067.8 Ų67.850%0.49635%0.352SS..Hα-helixtrans-65.8-46.6175.400000111.7E191 I193 M197 K198 S199E191-A195 WeakPolarHBondContact O-CB 3.18Å; E191-A195 PolarHBondContact O-N 2.92Å; I193-A195 VanDerWaalsContact C-N 3.27Å; I193-A195 PolarHBondContact O-N 2.79Å; A195-M197 PolarHBondContact O-N 3.31Å; A195-K198 PolarHBondContact O-N 2.75Å; A195-S199 PolarHBondContact O-N 2.88Å
196Y98.7Very high98.2Very high3 Ų364.2 Ų64.21%0.01233%0.333CS..Hα-helixtrans-59.5-47.6177.4170.8-125.6000111.9L19 E22 K192 I193 K198 S199 R201 F202L19-Y196 HydrophobicContact CD2-CD1 3.83Å; L19-Y196 HydrophobicContact CD2-CE1 3.8Å; L19-Y196 HydrophobicContact CG-CE1 4.38Å; E22-Y196 HydrophobicContact CB-CD1 4.26Å; E22-Y196 HydrophobicContact CB-CD2 4.44Å; E22-Y196 HydrophobicContact CB-CG 4.02Å; E22-Y196 VanDerWaalsContact CD-CD2 3.4Å; E22-Y196 HydrophobicContact CG-CD1 3.92Å; E22-Y196 HydrophobicContact CG-CD2 3.5Å; E22-Y196 HydrophobicContact CG-CE1 4.21Å; E22-Y196 HydrophobicContact CG-CE2 3.85Å; E22-Y196 HydrophobicContact CG-CG 3.55Å; K192-Y196 VanDerWaalsContact O-CB 3.32Å; K192-Y196 WeakPolarHBondContact O-CB 3.17Å; K192-Y196 PolarHBondContact O-N 3.35Å; I193-Y196 PolarHBondContact O-N 2.97Å; I193-Y196 VanDerWaalsContact O-N 3.15Å; Y196-K198 PolarHBondContact O-N 2.91Å; Y196-K198 VanDerWaalsContact O-N 3.17Å; Y196-S199 VanDerWaalsContact O-CB 3.31Å; Y196-S199 WeakPolarHBondContact O-CB 3.41Å; Y196-S199 PolarHBondContact O-N 3.32Å; Y196-S199 PolarHBondContact O-OG 3.47Å; Y196-R201 HydrophobicContact CD2-CB 4.26Å; Y196-R201 HydrophobicContact CE2-CB 3.78Å; Y196-R201 PolarHBondContact OH-O 3.41Å; Y196-F202 AromaticContact CD1-CD2 3.94Å; Y196-F202 HydrophobicContact CD1-CD2 3.94Å; Y196-F202 AromaticContact CE1-CD2 3.54Å; Y196-F202 HydrophobicContact CE1-CD2 3.54Å; Y196-F202 HydrophobicContact CE1-CE2 4.23Å; Y196-F202 HydrophobicContact CE2-CB 4.32Å; Y196-F202 AromaticContact CZ-CD2 3.92Å; Y196-F202 WeakPolarHBondContact O-CB 3.21Å
197M98.4Very high98.2Very high41 Ų4159.7 Ų59.720%0.20232%0.316CS..Hα-helixtrans-61.7-23.9-179.7-72.8177.3175.300114.2L19 Y160 E188 I193 A195 F202L19-M197 HydrophobicContact CD2-CE 4.1Å; Y160-M197 HydrophobicContact CE1-CE 3.61Å; Y160-M197 HydrophobicContact CE2-CE 4.44Å; Y160-M197 VanDerWaalsContact CZ-CE 3.44Å; Y160-M197 WeakPolarHBondContact OH-CE 3.45Å; E188-M197 HydrophobicContact CB-SD 4.42Å; E188-M197 HydrophobicContact CG-CE 4.08Å; E188-M197 HydrophobicContact CG-SD 4.02Å; I193-M197 HydrophobicContact CG2-CE 3.42Å; I193-M197 VanDerWaalsContact CG2-CE 3.42Å; I193-M197 HydrophobicContact CG2-CG 4.3Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CB 3.3Å; I193-M197 WeakPolarHBondContact O-CG 3.45Å; I193-M197 PolarHBondContact O-N 2.73Å; A195-M197 PolarHBondContact O-N 3.31Å; M197-F202 HydrophobicContact CB-CD1 4.45Å; M197-F202 HydrophobicContact CB-CG 4.44Å; M197-F202 HydrophobicContact CE-CE2 4.29Å; M197-F202 HydrophobicContact CE-CZ 4.42Å; M197-F202 HydrophobicContact CG-CD2 3.98Å; M197-F202 HydrophobicContact CG-CE1 4.33Å; M197-F202 HydrophobicContact CG-CE2 3.75Å; M197-F202 HydrophobicContact CG-CG 4.37Å; M197-F202 HydrophobicContact CG-CZ 3.95Å
198K98.3Very high98.1Very high185 Ų18560 Ų6080%0.80432%0.318SS*.THydrogen-bonded Turntrans-88.8-9.2174.7-68.3172.2-175175.60113.3A194 A195 Y196A194-K198 WeakPolarHBondContact O-CG 3.37Å; A194-K198 PolarHBondContact O-N 3.4Å; A195-K198 PolarHBondContact O-N 2.75Å; Y196-K198 PolarHBondContact O-N 2.91Å; Y196-K198 VanDerWaalsContact O-N 3.17Å
199S98.1Very high98Very high38 Ų3858 Ų5827%0.26631%0.309SS..SBendtrans-87160.3-17881.20000112.1A195 Y196 R201 F202A195-S199 PolarHBondContact O-N 2.88Å; Y196-S199 VanDerWaalsContact O-CB 3.31Å; Y196-S199 WeakPolarHBondContact O-CB 3.41Å; Y196-S199 PolarHBondContact O-N 3.32Å; Y196-S199 PolarHBondContact O-OG 3.47Å; S199-R201 PolarHBondContact O-N 3.26Å; S199-R201 PolarHBondContact OG-N 3.47Å; S199-F202 PolarHBondContact O-N 3.32Å
200S96.6Very high97.9Very high130 Ų13057 Ų5791%0.90929%0.291SS*.THydrogen-bonded Turntrans-67.4-11.2173.454.90000114.1F202S200-F202 VanDerWaalsContact C-N 3.33Å
201R96.6Very high97.8Very high141 Ų14157.6 Ų57.653%0.53229%0.293SS..THydrogen-bonded Turntrans-77.7-19.4175.5-59.9-164.3-61.2-120.2-3.7112.6E22 Y196 S199 I203E22-R201 VanDerWaalsContact CD-NH2 3.28Å; E22-R201 IonicContact OE1-CZ 2.55Å; E22-R201 IonicContact OE1-NE 2.86Å; E22-R201 PolarHBondContact OE1-NE 3.34Å; E22-R201 IonicContact OE1-NH2 3.27Å; E22-R201 PolarHBondContact OE1-NH2 2.67Å; E22-R201 IonicContact OE2-CZ 2.87Å; E22-R201 IonicContact OE2-NH2 2.71Å; E22-R201 PolarHBondContact OE2-NH2 2.88Å; Y196-R201 HydrophobicContact CD2-CB 4.26Å; Y196-R201 HydrophobicContact CE2-CB 3.78Å; Y196-R201 PolarHBondContact OH-O 3.41Å; S199-R201 PolarHBondContact O-N 3.26Å; S199-R201 PolarHBondContact OG-N 3.47Å; R201-I203 PolarHBondContact O-N 3.21Å
202F98Very high97.7Very high38 Ų3849.7 Ų49.717%0.16726%0.256CS..  trans-73116.4-176-178.4-115.6000111.9Y196 M197 S199 S200 K204Y196-F202 AromaticContact CD1-CD2 3.94Å; Y196-F202 HydrophobicContact CD1-CD2 3.94Å; Y196-F202 AromaticContact CE1-CD2 3.54Å; Y196-F202 HydrophobicContact CE1-CD2 3.54Å; Y196-F202 HydrophobicContact CE1-CE2 4.23Å; Y196-F202 HydrophobicContact CE2-CB 4.32Å; Y196-F202 AromaticContact CZ-CD2 3.92Å; Y196-F202 WeakPolarHBondContact O-CB 3.21Å; M197-F202 HydrophobicContact CB-CD1 4.45Å; M197-F202 HydrophobicContact CB-CG 4.44Å; M197-F202 HydrophobicContact CE-CE2 4.29Å; M197-F202 HydrophobicContact CE-CZ 4.42Å; M197-F202 HydrophobicContact CG-CD2 3.98Å; M197-F202 HydrophobicContact CG-CE1 4.33Å; M197-F202 HydrophobicContact CG-CE2 3.75Å; M197-F202 HydrophobicContact CG-CG 4.37Å; M197-F202 HydrophobicContact CG-CZ 3.95Å; S199-F202 PolarHBondContact O-N 3.32Å; S200-F202 VanDerWaalsContact C-N 3.33Å; F202-K204 HydrophobicContact CD1-CB 4.07Å; F202-K204 HydrophobicContact CE1-CB 3.7Å; F202-K204 HydrophobicContact CE1-CG 4.1Å; F202-K204 PolarHBondContact O-N 3Å
203I97.4Very high97.7Very high23 Ų2351.5 Ų51.512%0.11826%0.264CS..  trans-91.391.9175.6-59.7168.8000109.1R11 F32 R201R11-I203 HydrophobicContact CB-CG2 4.2Å; F32-I203 HydrophobicContact CE1-CD1 3.61Å; F32-I203 HydrophobicContact CZ-CD1 3.78Å; R201-I203 PolarHBondContact O-N 3.21Å
204K97Very high97.6Very high118 Ų11853.7 Ų53.751%0.51327%0.273SS..  trans-71.7-43.4173.4-170-179.6177.6-175.50111.7R11 F202R11-K204 WeakPolarHBondContact CD-O 3.46Å; F202-K204 HydrophobicContact CD1-CB 4.07Å; F202-K204 HydrophobicContact CE1-CB 3.7Å; F202-K204 HydrophobicContact CE1-CG 4.1Å; F202-K204 PolarHBondContact O-N 3Å
205T97.7Very high97.5Very high12 Ų1253.5 Ų53.57%0.07427%0.272CS..SBendtrans-144.4157.1-178.755.20000109.8M168 E219M168-T205 HydrophobicContact CE-CG2 3.87Å; T205-E219 HydrophobicContact CG2-CB 4.17Å; T205-E219 HydrophobicContact CG2-CG 4.29Å; T205-E219 PolarHBondContact OG1-N 3.05Å; T205-E219 PolarHBondContact OG1-O 3.27Å
206P97.9Very high97.4Very high16 Ų1653.6 Ų53.610%0.10426%0.263CS..  cis-73.8145.5-2.533.7-38000112.4I10 R11 N208 G215 K217I10-P206 HydrophobicContact CB-CG 4.04Å; I10-P206 HydrophobicContact CG2-CG 3.71Å; R11-P206 WeakPolarHBondContact CB-O 3.42Å; R11-P206 PolarHBondContact N-O 2.81Å; P206-N208 WeakPolarHBondContact CB-O 3.32Å; P206-G215 CarbonylContact C-O 3.56Å; P206-G215 WeakPolarHBondContact CB-O 3.36Å; P206-K217 WeakPolarHBondContact CA-O 3.46Å; P206-K217 WeakPolarHBondContact CB-O 3.45Å
207V98.1Very high97.2Very high2 Ų260.2 Ų60.21%0.01229%0.292CS..SBendtrans-67.7-45.7175.9177.70000110.6G12 Q165 M168 W214 G215G12-V207 WeakPolarHBondContact CA-O 3.48Å; G12-V207 PolarHBondContact N-O 3.34Å; Q165-V207 HydrophobicContact CG-CG1 3.8Å; M168-V207 HydrophobicContact CE-CG2 3.78Å; M168-V207 HydrophobicContact SD-CG2 4.3Å; V207-W214 HydrophobicContact CB-CZ3 4.11Å; V207-W214 HydrophobicContact CG1-CZ3 3.9Å; V207-W214 HydrophobicContact CG2-CH2 4.19Å; V207-W214 HydrophobicContact CG2-CZ3 4.27Å; V207-G215 PolarHBondContact N-O 3.26Å
208N98.1Very high96.7Very high6 Ų665.9 Ų65.93%0.03232%0.315CS..SBendtrans-117.2167.9-177.7-73.4-54.4000111Y116 P206 A212 W214 G215Y116-N208 HydrophobicContact CE2-CB 4.04Å; Y116-N208 WeakPolarHBondContact CE2-OD1 3.42Å; P206-N208 WeakPolarHBondContact CB-O 3.32Å; N208-A212 HydrophobicContact CB-CB 3.44Å; N208-A212 VanDerWaalsContact CB-CB 3.44Å; N208-W214 PolarHBondContact ND2-O 2.9Å; N208-G215 PolarHBondContact N-O 3.42Å
209N96.8Very high95.9Very high9 Ų966.7 Ų66.75%0.04832%0.322CS..  trans-81.4167178.9-155.8-27.5000110.7I10 C35 Y116 M211 A212 H216I10-N209 HydrophobicContact CD1-CB 3.81Å; I10-N209 HydrophobicContact CG2-CB 4.46Å; C35-N209 WeakPolarHBondContact CB-OD1 3.47Å; Y116-N209 PolarHBondContact OH-N 3.4Å; N209-M211 HydrophobicContact CB-CE 3.51Å; N209-M211 PolarHBondContact O-N 2.89Å; N209-A212 VanDerWaalsContact O-CB 3.32Å; N209-A212 WeakPolarHBondContact O-CB 3.44Å; N209-A212 PolarHBondContact O-N 3.48Å; N209-H216 WeakPolarHBondContact O-CB 3.43Å
210K96.7Very high95.8Very high55 Ų5568.2 Ų68.224%0.23933%0.325CS..THydrogen-bonded Turntrans-53-27.6-167-68.4177.2172.7179.20115.6C35 G36 E37 Y41 A212C35-K210 HydrophobicContact CB-CD 4.45Å; C35-K210 WeakPolarHBondContact O-CE 3.18Å; C35-K210 PolarHBondContact O-NZ 3.05Å; G36-K210 WeakPolarHBondContact O-CD 3.4Å; E37-K210 WeakPolarHBondContact OE1-CE 3.14Å; E37-K210 IonicContact OE1-NZ 2.66Å; E37-K210 PolarHBondContact OE1-NZ 2.78Å; E37-K210 IonicContact OE2-NZ 3.25Å; E37-K210 PolarHBondContact OE2-NZ 3.49Å; Y41-K210 HydrophobicContact CD1-CB 3.99Å; Y41-K210 HydrophobicContact CE1-CB 3.92Å; K210-A212 VanDerWaalsContact C-N 3.31Å; K210-A212 PolarHBondContact O-N 2.59Å
211M95.8Very high95.8Very high45 Ų4564.9 Ų64.922%0.22229%0.294CS..THydrogen-bonded Turntrans-77-15.3179.6-49.472.441.900113.8Y41 Y116 N209Y41-M211 HydrophobicContact CD1-CG 3.66Å; Y41-M211 HydrophobicContact CD1-SD 3.71Å; Y41-M211 HydrophobicContact CD2-CG 3.79Å; Y41-M211 HydrophobicContact CE1-CB 4.5Å; Y41-M211 HydrophobicContact CE1-CG 3.87Å; Y41-M211 HydrophobicContact CE1-SD 4.33Å; Y41-M211 HydrophobicContact CE2-CG 4.01Å; Y41-M211 HydrophobicContact CG-CG 3.6Å; Y41-M211 HydrophobicContact CG-SD 3.87Å; Y116-M211 HydrophobicContact CE1-CB 4.41Å; Y116-M211 HydrophobicContact CE1-CE 3.98Å; N209-M211 HydrophobicContact CB-CE 3.51Å; N209-M211 PolarHBondContact O-N 2.89Å
212A97.4Very high95.7Very high3 Ų360.7 Ų60.73%0.02528%0.281CS..  trans-70.4147.6-177.500000111.6C115 Y116 N208 N209 K210 W214 H216C115-A212 CarbonylContact O-C 3.58Å; Y116-A212 HydrophobicContact CD1-CB 4.05Å; Y116-A212 HydrophobicContact CD2-CB 4.15Å; Y116-A212 HydrophobicContact CE1-CB 3.74Å; Y116-A212 HydrophobicContact CE2-CB 3.86Å; Y116-A212 HydrophobicContact CG-CB 4.27Å; N208-A212 HydrophobicContact CB-CB 3.44Å; N208-A212 VanDerWaalsContact CB-CB 3.44Å; N209-A212 VanDerWaalsContact O-CB 3.32Å; N209-A212 WeakPolarHBondContact O-CB 3.44Å; N209-A212 PolarHBondContact O-N 3.48Å; K210-A212 VanDerWaalsContact C-N 3.31Å; K210-A212 PolarHBondContact O-N 2.59Å; A212-W214 VanDerWaalsContact C-N 3.34Å; A212-H216 HydrophobicContact CB-CB 4.37Å; A212-H216 PolarHBondContact O-ND1 3.31Å
213K97.4Very high95.6Very high132 Ų13262 Ų6257%0.57429%0.287SS*.SBendtrans-77.8-20.5174.7-55.4-54.9-178.1-1780112.9C115 F119C115-K213 PolarHBondContact O-N 3.28Å; F119-K213 HydrophobicContact CB-CB 3.54Å; F119-K213 HydrophobicContact CB-CG 3.98Å; F119-K213 HydrophobicContact CD1-CB 4.44Å; F119-K213 HydrophobicContact CD2-CB 4.49Å; F119-K213 HydrophobicContact CG-CB 3.94Å
214W97.6Very high95.5Very high47 Ų4764.4 Ų64.418%0.17830%0.298CS..SBendtrans-134.8143.5175.8-17988000112.1F111 F119 M168 F169 V207 N208 A212 H216F111-W214 HydrophobicContact CE1-CE3 4.11Å; F111-W214 HydrophobicContact CE1-CH2 4.39Å; F111-W214 AromaticContact CE1-CZ3 3.61Å; F111-W214 HydrophobicContact CE1-CZ3 3.61Å; F111-W214 HydrophobicContact CZ-CD2 4.46Å; F111-W214 AromaticContact CZ-CE3 3.67Å; F111-W214 HydrophobicContact CZ-CE3 3.67Å; F111-W214 HydrophobicContact CZ-CH2 4.02Å; F111-W214 AromaticContact CZ-CZ3 3.41Å; F111-W214 HydrophobicContact CZ-CZ3 3.41Å; F111-W214 VanDerWaalsContact CZ-CZ3 3.41Å; F119-W214 HydrophobicContact CD2-CB 4.1Å; F119-W214 HydrophobicContact CE1-CB 4.44Å; F119-W214 HydrophobicContact CE2-CB 3.44Å; F119-W214 VanDerWaalsContact CE2-CB 3.44Å; F119-W214 HydrophobicContact CE2-CG 4.02Å; F119-W214 HydrophobicContact CZ-CB 3.62Å; F119-W214 AromaticContact CZ-CD1 3.93Å; F119-W214 AromaticContact CZ-CG 3.95Å; F119-W214 HydrophobicContact CZ-CG 3.95Å; M168-W214 HydrophobicContact CB-CH2 4.25Å; M168-W214 HydrophobicContact CB-CZ2 4.26Å; F169-W214 HydrophobicContact CB-CH2 3.85Å; F169-W214 HydrophobicContact CB-CZ2 3.62Å; F169-W214 AromaticContact CD2-CD2 3.89Å; F169-W214 HydrophobicContact CD2-CD2 3.89Å; F169-W214 AromaticContact CD2-CE2 3.7Å; F169-W214 HydrophobicContact CD2-CE3 4.48Å; F169-W214 HydrophobicContact CD2-CG 4.15Å; F169-W214 HydrophobicContact CD2-CZ2 4.15Å; F169-W214 AromaticContact CD2-NE1 3.78Å; F169-W214 HydrophobicContact CG-CZ2 4.4Å; V207-W214 HydrophobicContact CB-CZ3 4.11Å; V207-W214 HydrophobicContact CG1-CZ3 3.9Å; V207-W214 HydrophobicContact CG2-CH2 4.19Å; V207-W214 HydrophobicContact CG2-CZ3 4.27Å; N208-W214 PolarHBondContact ND2-O 2.9Å; A212-W214 VanDerWaalsContact C-N 3.34Å; W214-H216 VanDerWaalsContact C-N 3.31Å; W214-H216 PolarHBondContact O-N 2.95Å
215G97.1Very high95.4Very high19 Ų1960.9 Ų60.920%0.19628%0.283CS..SBendtrans72.916.3175.600000115.1P206 V207 N208P206-G215 CarbonylContact C-O 3.56Å; P206-G215 WeakPolarHBondContact CB-O 3.36Å; V207-G215 PolarHBondContact N-O 3.26Å; N208-G215 PolarHBondContact N-O 3.42Å
216H96.3Very high95.2Very high63 Ų6364.4 Ų64.429%0.29230%0.298SS..  trans-86.1-7.3-17963.4-93.6000114.5N209 A212 W214N209-H216 WeakPolarHBondContact O-CB 3.43Å; A212-H216 HydrophobicContact CB-CB 4.37Å; A212-H216 PolarHBondContact O-ND1 3.31Å; W214-H216 VanDerWaalsContact C-N 3.31Å; W214-H216 PolarHBondContact O-N 2.95Å
217K93.5Very high95Very high142 Ų14268.1 Ų68.162%0.61731%0.313SS*.SBendtrans-97144.1-176.4-62.8-174.8178.7178.90110.9P206P206-K217 WeakPolarHBondContact CA-O 3.46Å; P206-K217 WeakPolarHBondContact CB-O 3.45Å
218K88.3Confident94.7Very high159 Ų15973.6 Ų73.669%0.69134%0.339SS*.  trans-82.5133.8168.5-162.6166.9-173.3166.60108.1
219E82.1Confident94.4Very high203 Ų20379.7 Ų79.795%0.94937%0.366SS*.  trans-120.90-179.4-66.9-179.9178.300109.9T205T205-E219 HydrophobicContact CG2-CB 4.17Å; T205-E219 HydrophobicContact CG2-CG 4.29Å; T205-E219 PolarHBondContact OG1-N 3.05Å; T205-E219 PolarHBondContact OG1-O 3.27Å

Retrieved 219 of 219 residues in 536 ms (Link to these results)

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