A0A087X828_POEFO Loading...

Phosphoglycerate mutase

AlphaFold DB , UniProt , Accession A0A087X828, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.5Confident94.7Very high214 Ų21445.6 Ų45.6100%1.05424%0.242SC*.  0139.20-70-171.6-76.900108.1A3M1-A3 PolarHBondContact O-N 3.42Å
2A86.8Confident94.9Very high52 Ų5241.8 Ų41.843%0.4322%0.222SC..  trans-63128.9173.900000109.6E219 V227A2-E219 HydrophobicContact CB-CB 3.92Å; A2-E219 HydrophobicContact CB-CG 4.27Å; A2-V227 HydrophobicContact CB-CG2 3.89Å
3A93.4Very high95Very high47 Ų4742.4 Ų42.439%0.38822%0.222SC..  trans-102.9-32.3174.400000111.5M1 L220 K222M1-A3 PolarHBondContact O-N 3.42Å; A3-L220 PolarHBondContact N-O 3.19Å; A3-K222 HydrophobicContact CB-CG 3.94Å
4Y98.1Very high95.2Very high43 Ų4339.4 Ų39.417%0.16921%0.206CC..EExtended strand (participates in β ladder)trans-137.4156.6-173.6-44.6-68.9000112.1I175 K176 E219 L220 D221 L224Y4-I175 HydrophobicContact CD1-CG2 4.3Å; Y4-I175 WeakPolarHBondContact CD1-O 3.44Å; Y4-I175 HydrophobicContact CD2-CG2 4.06Å; Y4-I175 VanDerWaalsContact CE1-O 3.3Å; Y4-I175 WeakPolarHBondContact CE1-O 3.34Å; Y4-I175 HydrophobicContact CG-CG2 3.74Å; Y4-K176 PolarHBondContact OH-O 3Å; Y4-E219 WeakPolarHBondContact O-CA 3.16Å; Y4-L220 PolarHBondContact N-O 2.91Å; Y4-L220 PolarHBondContact O-N 2.83Å; Y4-D221 VanDerWaalsContact CD2-O 3.27Å; Y4-D221 WeakPolarHBondContact CD2-O 3.37Å; Y4-D221 WeakPolarHBondContact CE2-O 3.12Å; Y4-L224 HydrophobicContact CD2-CD2 3.69Å; Y4-L224 HydrophobicContact CE2-CD2 3.92Å
5K97.6Very high95.3Very high109 Ų10941.1 Ų41.147%0.47422%0.216SC..EExtended strand (participates in β ladder)trans-118.3136.9169.6-69.6-177.1178.5-178.80109.8F50 L217 Y218 E219K5-F50 HydrophobicContact CD-CE1 4.19Å; K5-L217 HydrophobicContact CB-CD1 4.2Å; K5-L217 HydrophobicContact CD-CD1 4.45Å; K5-L217 HydrophobicContact CG-CD1 4.32Å; K5-Y218 WeakPolarHBondContact CA-O 3.43Å; K5-E219 HydrophobicContact CG-CG 4.18Å
6L98.6Very high95.2Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-130.8135.9175.7167.468.1000108.4L8 W167 I175 V181 I183 L197 Y218 L220L6-L8 HydrophobicContact CD1-CD2 4Å; L6-L8 HydrophobicContact CD2-CD2 3.93Å; L6-L8 HydrophobicContact CD2-CG 4.47Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.4Å; L6-W167 HydrophobicContact CD2-CH2 3.57Å; L6-W167 HydrophobicContact CD2-CZ3 3.78Å; L6-I175 HydrophobicContact CD1-CD1 4.11Å; L6-I175 HydrophobicContact CD2-CD1 4.27Å; L6-V181 HydrophobicContact CD1-CB 3.98Å; L6-V181 HydrophobicContact CD1-CG1 3.97Å; L6-I183 HydrophobicContact CD1-CD1 4Å; L6-I183 HydrophobicContact CD1-CG1 4.1Å; L6-L197 HydrophobicContact CD2-CD1 4.08Å; L6-Y218 PolarHBondContact N-O 2.92Å; L6-Y218 PolarHBondContact O-N 3.17Å; L6-L220 HydrophobicContact CB-CD1 4.18Å; L6-L220 HydrophobicContact CD2-CD1 4.23Å
7V98.8Very high94.8Very high1 Ų139.6 Ų39.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-113.3129172.51800000109.8L45 F50 F52 V181 L182 I183 P215 I216 L217V7-L45 HydrophobicContact CG1-CD1 4.45Å; V7-L45 HydrophobicContact CG1-CD2 3.96Å; V7-L45 HydrophobicContact CG2-CD2 4.19Å; V7-F50 HydrophobicContact CG2-CD1 3.89Å; V7-F50 HydrophobicContact CG2-CE1 3.71Å; V7-F50 HydrophobicContact CG2-CZ 4.32Å; V7-F52 HydrophobicContact CB-CE1 3.88Å; V7-F52 HydrophobicContact CB-CZ 4.05Å; V7-F52 HydrophobicContact CG1-CZ 4.45Å; V7-F52 HydrophobicContact CG2-CE1 3.76Å; V7-F52 HydrophobicContact CG2-CZ 3.9Å; V7-V181 PolarHBondContact N-O 3.49Å; V7-L182 HydrophobicContact CB-CD1 3.88Å; V7-L182 HydrophobicContact CG1-CD1 3.56Å; V7-L182 CarbonylContact O-C 3.58Å; V7-L182 WeakPolarHBondContact O-CA 3.49Å; V7-I183 PolarHBondContact O-N 3.28Å; V7-P215 HydrophobicContact CG1-CB 3.89Å; V7-I216 WeakPolarHBondContact CA-O 3.38Å; V7-L217 HydrophobicContact CG2-CD1 4.37Å
8L98.8Very high94.5Very high0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-110.2143.3170.1-48.8-179.8000109L6 I183 L190 I193 V194 P215 I216 Y218L6-L8 HydrophobicContact CD1-CD2 4Å; L6-L8 HydrophobicContact CD2-CD2 3.93Å; L6-L8 HydrophobicContact CD2-CG 4.47Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.4Å; L8-I183 CarbonylContact C-O 3.53Å; L8-I183 WeakPolarHBondContact CA-O 3.39Å; L8-I183 HydrophobicContact CD2-CB 3.76Å; L8-I183 HydrophobicContact CD2-CD1 3.64Å; L8-I183 HydrophobicContact CD2-CG1 3.91Å; L8-L190 HydrophobicContact CB-CD1 4.44Å; L8-L190 HydrophobicContact CB-CD2 4.16Å; L8-L190 HydrophobicContact CD1-CD2 4.42Å; L8-L190 HydrophobicContact CD2-CD2 4.29Å; L8-I193 HydrophobicContact CD1-CG2 4.33Å; L8-V194 HydrophobicContact CD1-CG2 4.07Å; L8-P215 CarbonylContact O-C 3.56Å; L8-I216 HydrophobicContact CB-CB 4.27Å; L8-I216 PolarHBondContact N-O 2.62Å; L8-I216 PolarHBondContact O-N 3.28Å; L8-Y218 HydrophobicContact CD1-CD2 4.08Å; L8-Y218 HydrophobicContact CD1-CE2 3.82Å; L8-Y218 HydrophobicContact CG-CD2 4.39Å
9I98.6Very high94.3Very high0 Ų046.7 Ų46.70%024%0.237CC..EExtended strand (participates in β ladder)trans-140123.3171.6-170.7170.5000110T66 V70 L182 I183 A184 A185 P215I9-T66 HydrophobicContact CD1-CG2 4.14Å; I9-T66 HydrophobicContact CG1-CG2 4.44Å; I9-V70 HydrophobicContact CD1-CG2 4Å; I9-L182 HydrophobicContact CG2-CD1 4.03Å; I9-I183 PolarHBondContact N-O 3.41Å; I9-A184 HydrophobicContact CG2-CB 3.68Å; I9-A184 CarbonylContact O-C 3.6Å; I9-A184 WeakPolarHBondContact O-CA 3.37Å; I9-A185 PolarHBondContact O-N 3.38Å; I9-P215 HydrophobicContact CD1-CG 4.24Å
10R98.3Very high94.1Very high34 Ų3447.6 Ų47.613%0.12824%0.243CC..EExtended strand (participates in β ladder)trans-73.7135.3166.4178.8-175170.1-172.2-6.4107.5L190 L210 P211 T212 G213R10-L190 HydrophobicContact CB-CD1 4.07Å; R10-L210 VanDerWaalsContact CD-O 3.32Å; R10-L210 WeakPolarHBondContact CD-O 3.26Å; R10-L210 PolarHBondContact NH1-O 3.17Å; R10-P211 WeakPolarHBondContact CB-O 3.31Å; R10-T212 HydrophobicContact CG-CG2 4.49Å; R10-G213 WeakPolarHBondContact O-CA 3.45Å; R10-G213 PolarHBondContact O-N 3.34Å
11H98.4Very high94.1Very high2 Ų249.3 Ų49.31%0.00925%0.246CC..PPolyproline II helixtrans-49.9152.4175.469.481.3000113R62 A63 T66 A185 H186 T212H11-R62 VanDerWaalsContact CE1-CD 3.47Å; H11-R62 WeakPolarHBondContact CE1-CD 3.31Å; H11-R62 PolarHBondContact NE2-NE 3.23Å; H11-A63 HydrophobicContact CB-CB 4.49Å; H11-T66 VanDerWaalsContact CA-OG1 3.32Å; H11-T66 WeakPolarHBondContact CA-OG1 3.41Å; H11-T66 VanDerWaalsContact CB-OG1 3.3Å; H11-T66 WeakPolarHBondContact CB-OG1 3.36Å; H11-A185 PolarHBondContact CD2-O 3.04Å; H11-A185 PolarHBondContact N-O 2.95Å; H11-H186 AromaticContact CD2-CE1 3.66Å; H11-H186 AromaticContact CD2-CG 3.8Å; H11-H186 AromaticContact CD2-ND1 3Å; H11-H186 PolarHBondContact CD2-ND1 2.64Å; H11-H186 AromaticContact NE2-CE1 3.92Å; H11-H186 AromaticContact NE2-ND1 3.07Å; H11-H186 PolarHBondContact NE2-ND1 3.49Å; H11-T212 WeakPolarHBondContact O-CB 3.27Å; H11-T212 WeakPolarHBondContact O-CG2 3.32Å
12G97.3Very high95Very high0 Ų039.2 Ų39.20%020%0.197CC..PPolyproline II helixtrans-61.5166.5171.300000112.1S14 L30 E37 T66G12-S14 PolarHBondContact O-N 2.95Å; G12-L30 VanDerWaalsContact O-CD2 3.28Å; G12-L30 WeakPolarHBondContact O-CD2 3.23Å; G12-E37 WeakPolarHBondContact CA-OE2 3.33Å; G12-T66 PolarHBondContact N-OG1 2.89Å
13E96.4Very high95.4Very high49 Ų4937.1 Ų37.123%0.22918%0.179CC..PPolyproline II helixtrans-47.9127.7177.2-170.7-173.1-116.100112.1N17 S31 G34 E37E13-N17 HydrophobicContact CG-CB 3.73Å; E13-S31 PolarHBondContact O-N 3.38Å; E13-S31 PolarHBondContact O-OG 3.11Å; E13-S31 PolarHBondContact OE2-OG 3.24Å; E13-G34 WeakPolarHBondContact O-CA 3.29Å; E13-E37 PolarHBondContact N-OE2 3.39Å
14S97.1Very high95.5Very high0 Ų034.9 Ų34.90%016%0.161CC..BIsolated β-bridgetrans-89.7161.6171.170.10000111.6G12 W16 N17 Q18 D29G12-S14 PolarHBondContact O-N 2.95Å; S14-W16 PolarHBondContact O-N 2.83Å; S14-W16 VanDerWaalsContact O-N 3.11Å; S14-N17 PolarHBondContact N-OD1 2.76Å; S14-N17 WeakPolarHBondContact O-CA 3.22Å; S14-N17 WeakPolarHBondContact O-CB 3.3Å; S14-N17 PolarHBondContact O-N 2.89Å; S14-N17 PolarHBondContact OG-N 3.4Å; S14-N17 PolarHBondContact OG-ND2 2.79Å; S14-N17 PolarHBondContact OG-OD1 3.12Å; S14-N17 VanDerWaalsContact OG-OD1 3.1Å; S14-Q18 PolarHBondContact O-N 2.86Å; S14-D29 CarbonylContact C-O 3.6Å; S14-D29 WeakPolarHBondContact CA-O 3.26Å; S14-D29 VanDerWaalsContact CB-O 3.23Å; S14-D29 WeakPolarHBondContact CB-O 3.35Å
15N96.3Very high95.5Very high66 Ų6633 Ų3335%0.35315%0.153SC..Hα-helixtrans-50.6-41.6174.6-62.96.1000112.2N17 Q18 E19 D29 L30 S31N15-N17 VanDerWaalsContact C-N 3.33Å; N15-N17 PolarHBondContact O-N 2.99Å; N15-Q18 WeakPolarHBondContact O-CB 3.21Å; N15-Q18 PolarHBondContact O-N 3.44Å; N15-E19 WeakPolarHBondContact O-CG 3.47Å; N15-E19 PolarHBondContact O-N 3.1Å; N15-D29 PolarHBondContact N-O 3.49Å; N15-L30 VanDerWaalsContact OD1-C 3.25Å; N15-L30 PolarHBondContact OD1-O 2.9Å; N15-L30 VanDerWaalsContact OD1-O 3.08Å; N15-S31 VanDerWaalsContact OD1-CA 3.23Å; N15-S31 WeakPolarHBondContact OD1-CA 3.48Å; N15-S31 PolarHBondContact OD1-N 3.34Å
16W95.1Very high95.5Very high18 Ų1829.8 Ų29.87%0.06814%0.139CC..Hα-helixtrans-76.5-15.5178.1-80.122.1000114.8S14 N20 R21 F22 C23 F26 A28 T96 Y132S14-W16 PolarHBondContact O-N 2.83Å; S14-W16 VanDerWaalsContact O-N 3.11Å; W16-N20 PolarHBondContact O-N 3.36Å; W16-R21 HydrophobicContact CB-CB 4.16Å; W16-R21 HydrophobicContact CD2-CB 4.13Å; W16-R21 HydrophobicContact CE3-CB 3.98Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 PolarHBondContact O-N 3.37Å; W16-F22 VanDerWaalsContact CZ3-O 3.32Å; W16-F22 WeakPolarHBondContact CZ3-O 3.3Å; W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.04Å; W16-F26 AromaticContact CD2-CD1 3.63Å; W16-F26 HydrophobicContact CD2-CD1 3.63Å; W16-F26 AromaticContact CD2-CE1 3.88Å; W16-F26 HydrophobicContact CD2-CE1 3.88Å; W16-F26 HydrophobicContact CD2-CG 4.48Å; W16-F26 AromaticContact CE2-CD1 3.46Å; W16-F26 VanDerWaalsContact CE2-CD1 3.46Å; W16-F26 AromaticContact CE2-CE1 3.3Å; W16-F26 AromaticContact CE2-CZ 3.98Å; W16-F26 HydrophobicContact CE3-CB 4.34Å; W16-F26 AromaticContact CE3-CD1 3.77Å; W16-F26 HydrophobicContact CE3-CD1 3.77Å; W16-F26 HydrophobicContact CE3-CE1 4.45Å; W16-F26 HydrophobicContact CE3-CG 4.25Å; W16-F26 HydrophobicContact CG-CD1 4.39Å; W16-F26 HydrophobicContact CG-CE1 4.43Å; W16-F26 HydrophobicContact CH2-CB 3.84Å; W16-F26 AromaticContact CH2-CD1 3.45Å; W16-F26 HydrophobicContact CH2-CD1 3.45Å; W16-F26 VanDerWaalsContact CH2-CD1 3.45Å; W16-F26 AromaticContact CH2-CD2 3.76Å; W16-F26 HydrophobicContact CH2-CD2 3.76Å; W16-F26 AromaticContact CH2-CE1 3.9Å; W16-F26 HydrophobicContact CH2-CE1 3.9Å; W16-F26 HydrophobicContact CH2-CE2 4.16Å; W16-F26 AromaticContact CH2-CG 3.38Å; W16-F26 HydrophobicContact CH2-CG 3.38Å; W16-F26 HydrophobicContact CH2-CZ 4.23Å; W16-F26 AromaticContact CZ2-CD1 3.39Å; W16-F26 HydrophobicContact CZ2-CD1 3.39Å; W16-F26 AromaticContact CZ2-CD2 4Å; W16-F26 HydrophobicContact CZ2-CD2 4Å; W16-F26 AromaticContact CZ2-CE1 3.33Å; W16-F26 HydrophobicContact CZ2-CE1 3.33Å; W16-F26 AromaticContact CZ2-CE2 3.93Å; W16-F26 HydrophobicContact CZ2-CE2 3.93Å; W16-F26 AromaticContact CZ2-CG 3.75Å; W16-F26 HydrophobicContact CZ2-CG 3.75Å; W16-F26 AromaticContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ3-CB 3.68Å; W16-F26 AromaticContact CZ3-CD1 3.64Å; W16-F26 HydrophobicContact CZ3-CD1 3.64Å; W16-F26 HydrophobicContact CZ3-CD2 4.45Å; W16-F26 HydrophobicContact CZ3-CE1 4.42Å; W16-F26 AromaticContact CZ3-CG 3.66Å; W16-F26 HydrophobicContact CZ3-CG 3.66Å; W16-F26 AromaticContact NE1-CE1 3.63Å; W16-A28 HydrophobicContact CB-CB 4.33Å; W16-A28 HydrophobicContact CG-CB 4.27Å; W16-T96 HydrophobicContact CZ3-CG2 4.09Å; W16-Y132 HydrophobicContact CH2-CD1 4.11Å; W16-Y132 HydrophobicContact CH2-CD2 4.43Å; W16-Y132 AromaticContact CH2-CE1 3.64Å; W16-Y132 HydrophobicContact CH2-CE1 3.64Å; W16-Y132 AromaticContact CH2-CE2 3.98Å; W16-Y132 HydrophobicContact CH2-CE2 3.98Å; W16-Y132 HydrophobicContact CH2-CG 4.48Å; W16-Y132 AromaticContact CH2-CZ 3.56Å; W16-Y132 AromaticContact CZ2-CE1 3.74Å; W16-Y132 HydrophobicContact CZ2-CE1 3.74Å; W16-Y132 AromaticContact CZ2-CZ 3.71Å
17N88.4Confident95.5Very high38 Ų3831.2 Ų31.220%0.20315%0.147CC..Hα-helixtrans-73.6-43.9168.7-63.7153.8000109.9E13 S14 N15 E19 N20E13-N17 HydrophobicContact CG-CB 3.73Å; S14-N17 PolarHBondContact N-OD1 2.76Å; S14-N17 WeakPolarHBondContact O-CA 3.22Å; S14-N17 WeakPolarHBondContact O-CB 3.3Å; S14-N17 PolarHBondContact O-N 2.89Å; S14-N17 PolarHBondContact OG-N 3.4Å; S14-N17 PolarHBondContact OG-ND2 2.79Å; S14-N17 PolarHBondContact OG-OD1 3.12Å; S14-N17 VanDerWaalsContact OG-OD1 3.1Å; N15-N17 VanDerWaalsContact C-N 3.33Å; N15-N17 PolarHBondContact O-N 2.99Å; N17-E19 VanDerWaalsContact C-N 3.31Å; N17-E19 PolarHBondContact O-N 3.29Å; N17-N20 WeakPolarHBondContact O-CA 3.44Å; N17-N20 PolarHBondContact O-N 2.92Å
18Q89.1Confident95.5Very high125 Ų12531.3 Ų31.358%0.58415%0.148SC*.Hα-helixtrans-59.2-41.9174.6-171.4-179.1-600111.6S14 N15 N20S14-Q18 PolarHBondContact O-N 2.86Å; N15-Q18 WeakPolarHBondContact O-CB 3.21Å; N15-Q18 PolarHBondContact O-N 3.44Å; Q18-N20 PolarHBondContact O-N 3.45Å
19E90.9Very high95.5Very high89 Ų8933.3 Ų33.342%0.41616%0.158SC..THydrogen-bonded Turntrans-77.62.1175.2-65.5174.3-139.300114.3N15 N17 R21 N99N15-E19 WeakPolarHBondContact O-CG 3.47Å; N15-E19 PolarHBondContact O-N 3.1Å; N17-E19 VanDerWaalsContact C-N 3.31Å; N17-E19 PolarHBondContact O-N 3.29Å; E19-R21 VanDerWaalsContact C-N 3.26Å; E19-R21 HydrophobicContact CB-CG 4.11Å; E19-R21 PolarHBondContact O-N 2.8Å; E19-R21 WeakPolarHBondContact OE2-CD 3.35Å; E19-R21 IonicContact OE2-CZ 3.14Å; E19-R21 IonicContact OE2-NE 3.69Å; E19-R21 PolarHBondContact OE2-NE 3.49Å; E19-R21 IonicContact OE2-NH2 3.33Å; E19-N99 PolarHBondContact O-ND2 3.01Å
20N89.3Confident95.5Very high65 Ų6533.7 Ų33.735%0.34816%0.161SC..THydrogen-bonded Turntrans55.934.3-178-165.942.8000114.4W16 N17 Q18 K100W16-N20 PolarHBondContact O-N 3.36Å; N17-N20 WeakPolarHBondContact O-CA 3.44Å; N17-N20 PolarHBondContact O-N 2.92Å; Q18-N20 PolarHBondContact O-N 3.45Å; N20-K100 WeakPolarHBondContact O-CG 3.14Å; N20-K100 PolarHBondContact O-N 3.31Å
21R93.5Very high95.5Very high84 Ų8432.2 Ų32.232%0.31716%0.156SC..BIsolated β-bridgetrans-93.9155.4177-64.5179-174.2-98.11.4112.7W16 E19 C23 G97 L98 K100W16-R21 HydrophobicContact CB-CB 4.16Å; W16-R21 HydrophobicContact CD2-CB 4.13Å; W16-R21 HydrophobicContact CE3-CB 3.98Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 PolarHBondContact O-N 3.37Å; E19-R21 VanDerWaalsContact C-N 3.26Å; E19-R21 HydrophobicContact CB-CG 4.11Å; E19-R21 PolarHBondContact O-N 2.8Å; E19-R21 WeakPolarHBondContact OE2-CD 3.35Å; E19-R21 IonicContact OE2-CZ 3.14Å; E19-R21 IonicContact OE2-NE 3.69Å; E19-R21 PolarHBondContact OE2-NE 3.49Å; E19-R21 IonicContact OE2-NH2 3.33Å; R21-C23 PolarHBondContact O-N 3.37Å; R21-G97 WeakPolarHBondContact CD-O 3.41Å; R21-G97 PolarHBondContact NH1-O 2.92Å; R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.26Å; R21-L98 WeakPolarHBondContact CA-O 3.39Å; R21-K100 WeakPolarHBondContact O-CE 3.13Å
22F93.4Very high95.4Very high1 Ų139.2 Ų39.20%0.00419%0.188CC..  trans-74.3109.3166.6-71.2-84.6000109.9W16 Y92 L95 T96 G97 L98 K100 T103 V112 R116W16-F22 VanDerWaalsContact CZ3-O 3.32Å; W16-F22 WeakPolarHBondContact CZ3-O 3.3Å; F22-Y92 HydrophobicContact CB-CD2 4.27Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD2 4.17Å; F22-Y92 AromaticContact CD1-CE1 3.98Å; F22-Y92 HydrophobicContact CD1-CE1 3.98Å; F22-Y92 HydrophobicContact CD1-CE2 4.43Å; F22-Y92 AromaticContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CE1-CD1 4.19Å; F22-Y92 HydrophobicContact CE1-CE1 4.26Å; F22-Y92 HydrophobicContact CG-CG 4.49Å; F22-L95 HydrophobicContact CB-CB 4.42Å; F22-L95 VanDerWaalsContact CB-O 3.29Å; F22-L95 WeakPolarHBondContact CB-O 3.47Å; F22-L95 HydrophobicContact CD2-CB 4.07Å; F22-L95 HydrophobicContact CE1-CD1 4.33Å; F22-L95 HydrophobicContact CE2-CB 4.41Å; F22-L95 HydrophobicContact CE2-CD1 4.5Å; F22-L95 HydrophobicContact CG-CB 4.12Å; F22-L95 HydrophobicContact CZ-CD1 4.22Å; F22-T96 WeakPolarHBondContact O-CA 3.41Å; F22-G97 PolarHBondContact O-N 2.88Å; F22-L98 HydrophobicContact CD2-CB 4.42Å; F22-L98 WeakPolarHBondContact CD2-O 3.38Å; F22-L98 PolarHBondContact N-O 3Å; F22-K100 HydrophobicContact CD1-CG 4.34Å; F22-K100 HydrophobicContact CD2-CG 3.77Å; F22-K100 HydrophobicContact CE1-CG 4.15Å; F22-K100 HydrophobicContact CE2-CB 4.18Å; F22-K100 HydrophobicContact CE2-CG 3.54Å; F22-K100 HydrophobicContact CG-CG 4.17Å; F22-K100 HydrophobicContact CZ-CB 4.46Å; F22-K100 HydrophobicContact CZ-CG 3.74Å; F22-T103 HydrophobicContact CE2-CG2 4.35Å; F22-V112 HydrophobicContact CZ-CG1 4.21Å; F22-R116 HydrophobicContact CE1-CG 3.63Å; F22-R116 HydrophobicContact CZ-CG 3.97Å
23C95.3Very high95.4Very high8 Ų842.4 Ų42.45%0.05421%0.208CC..  trans-85.1-59.7-177.4-175.10000112.9W16 R21 W25 F26 A28W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.04Å; R21-C23 PolarHBondContact O-N 3.37Å; C23-W25 PolarHBondContact O-N 3.14Å; C23-F26 WeakPolarHBondContact O-CB 3.01Å; C23-F26 PolarHBondContact O-N 2.9Å; C23-F26 VanDerWaalsContact O-N 3.08Å; C23-F26 PolarHBondContact SG-O 3.03Å; C23-F26 VanDerWaalsContact SG-O 3.36Å; C23-A28 VanDerWaalsContact SG-CB 3.6Å
24G96.4Very high95.5Very high1 Ų140.1 Ų40.11%0.0120%0.197CC..THydrogen-bonded Turntrans58-12417800000111.3R62 R90 Y92G24-R62 PolarHBondContact O-NH2 3.12Å; G24-R90 VanDerWaalsContact CA-O 3.28Å; G24-R90 WeakPolarHBondContact CA-O 3.21Å; G24-Y92 VanDerWaalsContact CA-CD2 3.48Å
25W98.4Very high95.5Very high3 Ų342.6 Ų42.61%0.01121%0.209CC..THydrogen-bonded Turntrans-87.6-3.9-178.4-75.937.3000114.2C23 D27 W85 N88 E89 H91 I136 Y142 L150 P151C23-W25 PolarHBondContact O-N 3.14Å; W25-D27 PolarHBondContact O-N 3.5Å; W25-W85 HydrophobicContact CH2-CD2 4.47Å; W25-W85 AromaticContact CH2-CE3 3.65Å; W25-W85 HydrophobicContact CH2-CE3 3.65Å; W25-W85 HydrophobicContact CH2-CZ3 4.2Å; W25-W85 AromaticContact CZ2-CE3 3.9Å; W25-W85 HydrophobicContact CZ2-CE3 3.9Å; W25-W85 HydrophobicContact CZ2-CZ3 4.33Å; W25-N88 HydrophobicContact CD2-CB 4.5Å; W25-N88 HydrophobicContact CZ2-CB 4.22Å; W25-E89 PolarHBondContact NE1-O 2.86Å; W25-H91 AromaticContact CD1-CD2 3.75Å; W25-H91 AromaticContact CD2-CD2 3.44Å; W25-H91 VanDerWaalsContact CD2-CD2 3.44Å; W25-H91 AromaticContact CE2-CD2 3.86Å; W25-H91 AromaticContact CE3-CD2 3.89Å; W25-H91 HydrophobicContact CG-CB 4.31Å; W25-H91 AromaticContact CG-CD2 3.36Å; W25-I136 HydrophobicContact CB-CG2 3.75Å; W25-I136 HydrophobicContact CE3-CG2 4.42Å; W25-Y142 AromaticContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE2 4.02Å; W25-Y142 AromaticContact CE3-CZ 3.56Å; W25-Y142 HydrophobicContact CH2-CE1 4.36Å; W25-Y142 AromaticContact CZ3-CD1 3.93Å; W25-Y142 HydrophobicContact CZ3-CD1 3.93Å; W25-Y142 AromaticContact CZ3-CE1 3.54Å; W25-Y142 HydrophobicContact CZ3-CE1 3.54Å; W25-Y142 HydrophobicContact CZ3-CE2 4.28Å; W25-Y142 HydrophobicContact CZ3-CG 4.45Å; W25-Y142 AromaticContact CZ3-CZ 3.73Å; W25-L150 HydrophobicContact CE3-CD1 4.25Å; W25-L150 HydrophobicContact CH2-CD1 4.13Å; W25-L150 HydrophobicContact CZ3-CD1 3.44Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.44Å; W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.74Å
26F98.4Very high95.6Very high42 Ų4246 Ų4618%0.18422%0.22CC..SBendtrans-58.7133.7167.9178.2-102.1000109.7W16 C23 A28 R62 T96 Y132 I135 I136W16-F26 AromaticContact CD2-CD1 3.63Å; W16-F26 HydrophobicContact CD2-CD1 3.63Å; W16-F26 AromaticContact CD2-CE1 3.88Å; W16-F26 HydrophobicContact CD2-CE1 3.88Å; W16-F26 HydrophobicContact CD2-CG 4.48Å; W16-F26 AromaticContact CE2-CD1 3.46Å; W16-F26 VanDerWaalsContact CE2-CD1 3.46Å; W16-F26 AromaticContact CE2-CE1 3.3Å; W16-F26 AromaticContact CE2-CZ 3.98Å; W16-F26 HydrophobicContact CE3-CB 4.34Å; W16-F26 AromaticContact CE3-CD1 3.77Å; W16-F26 HydrophobicContact CE3-CD1 3.77Å; W16-F26 HydrophobicContact CE3-CE1 4.45Å; W16-F26 HydrophobicContact CE3-CG 4.25Å; W16-F26 HydrophobicContact CG-CD1 4.39Å; W16-F26 HydrophobicContact CG-CE1 4.43Å; W16-F26 HydrophobicContact CH2-CB 3.84Å; W16-F26 AromaticContact CH2-CD1 3.45Å; W16-F26 HydrophobicContact CH2-CD1 3.45Å; W16-F26 VanDerWaalsContact CH2-CD1 3.45Å; W16-F26 AromaticContact CH2-CD2 3.76Å; W16-F26 HydrophobicContact CH2-CD2 3.76Å; W16-F26 AromaticContact CH2-CE1 3.9Å; W16-F26 HydrophobicContact CH2-CE1 3.9Å; W16-F26 HydrophobicContact CH2-CE2 4.16Å; W16-F26 AromaticContact CH2-CG 3.38Å; W16-F26 HydrophobicContact CH2-CG 3.38Å; W16-F26 HydrophobicContact CH2-CZ 4.23Å; W16-F26 AromaticContact CZ2-CD1 3.39Å; W16-F26 HydrophobicContact CZ2-CD1 3.39Å; W16-F26 AromaticContact CZ2-CD2 4Å; W16-F26 HydrophobicContact CZ2-CD2 4Å; W16-F26 AromaticContact CZ2-CE1 3.33Å; W16-F26 HydrophobicContact CZ2-CE1 3.33Å; W16-F26 AromaticContact CZ2-CE2 3.93Å; W16-F26 HydrophobicContact CZ2-CE2 3.93Å; W16-F26 AromaticContact CZ2-CG 3.75Å; W16-F26 HydrophobicContact CZ2-CG 3.75Å; W16-F26 AromaticContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ3-CB 3.68Å; W16-F26 AromaticContact CZ3-CD1 3.64Å; W16-F26 HydrophobicContact CZ3-CD1 3.64Å; W16-F26 HydrophobicContact CZ3-CD2 4.45Å; W16-F26 HydrophobicContact CZ3-CE1 4.42Å; W16-F26 AromaticContact CZ3-CG 3.66Å; W16-F26 HydrophobicContact CZ3-CG 3.66Å; W16-F26 AromaticContact NE1-CE1 3.63Å; C23-F26 WeakPolarHBondContact O-CB 3.01Å; C23-F26 PolarHBondContact O-N 2.9Å; C23-F26 VanDerWaalsContact O-N 3.08Å; C23-F26 PolarHBondContact SG-O 3.03Å; C23-F26 VanDerWaalsContact SG-O 3.36Å; F26-A28 HydrophobicContact CD1-CB 3.72Å; F26-A28 HydrophobicContact CE1-CB 3.79Å; F26-A28 PolarHBondContact O-N 3.42Å; F26-R62 PolarHBondContact O-NH1 3.38Å; F26-T96 HydrophobicContact CB-CG2 4.09Å; F26-Y132 AromaticContact CD2-CD1 3.76Å; F26-Y132 HydrophobicContact CD2-CD1 3.76Å; F26-Y132 HydrophobicContact CD2-CE1 4.07Å; F26-Y132 AromaticContact CE2-CD1 3.93Å; F26-Y132 HydrophobicContact CE2-CD1 3.93Å; F26-Y132 AromaticContact CE2-CE1 3.9Å; F26-Y132 HydrophobicContact CE2-CE1 3.9Å; F26-I135 HydrophobicContact CD2-CD1 3.93Å; F26-I135 HydrophobicContact CE2-CD1 3.71Å; F26-I136 HydrophobicContact CB-CD1 4.14Å
27D98.4Very high95.7Very high29 Ų2946.4 Ų46.416%0.15522%0.223CC..  trans-8651.8-172-160.824000112.3W25 L60 K61 R141W25-D27 PolarHBondContact O-N 3.5Å; D27-L60 WeakPolarHBondContact OD1-CA 3.29Å; D27-K61 WeakPolarHBondContact O-CD 3.37Å; D27-K61 WeakPolarHBondContact O-CE 3.47Å; D27-K61 PolarHBondContact O-NZ 3.02Å; D27-K61 WeakPolarHBondContact OD1-CG 3.36Å; D27-K61 PolarHBondContact OD1-N 3.48Å; D27-K61 WeakPolarHBondContact OD2-CE 3.44Å; D27-K61 IonicContact OD2-NZ 2.81Å; D27-R141 IonicContact OD1-NH1 3.23Å; D27-R141 IonicContact OD2-CZ 2.83Å; D27-R141 VanDerWaalsContact OD2-CZ 3.29Å; D27-R141 IonicContact OD2-NH1 3.4Å; D27-R141 PolarHBondContact OD2-NH1 3.05Å; D27-R141 IonicContact OD2-NH2 3.49Å; D27-R141 PolarHBondContact OD2-NH2 3.33Å
28A97.8Very high96.2Very high4 Ų444.6 Ų44.63%0.03321%0.213CC..PPolyproline II helixtrans-60140.517500000110.9W16 C23 F26 R62W16-A28 HydrophobicContact CB-CB 4.33Å; W16-A28 HydrophobicContact CG-CB 4.27Å; C23-A28 VanDerWaalsContact SG-CB 3.6Å; F26-A28 HydrophobicContact CD1-CB 3.72Å; F26-A28 HydrophobicContact CE1-CB 3.79Å; F26-A28 PolarHBondContact O-N 3.42Å; A28-R62 WeakPolarHBondContact O-CB 3.39Å
29D98.4Very high96.7Very high41 Ų4144 Ų4422%0.21921%0.209CC..PPolyproline II helixtrans-81.7170173.9-141.9-25.5000112.1S14 N15 K61 R65S14-D29 CarbonylContact C-O 3.6Å; S14-D29 WeakPolarHBondContact CA-O 3.26Å; S14-D29 VanDerWaalsContact CB-O 3.23Å; S14-D29 WeakPolarHBondContact CB-O 3.35Å; N15-D29 PolarHBondContact N-O 3.49Å; D29-K61 HydrophobicContact CB-CD 3.83Å; D29-K61 HydrophobicContact CB-CG 4.41Å; D29-R65 WeakPolarHBondContact OD1-CD 3.39Å; D29-R65 IonicContact OD1-CZ 3.49Å; D29-R65 IonicContact OD1-NE 2.94Å; D29-R65 IonicContact OD1-NH1 2.77Å; D29-R65 PolarHBondContact OD1-NH1 3.28Å; D29-R65 IonicContact OD2-CZ 2.7Å; D29-R65 IonicContact OD2-NH1 3.33Å; D29-R65 PolarHBondContact OD2-NH1 3.06Å
30L98.5Very high97Very high9 Ų944.1 Ų44.15%0.04721%0.206CC..BIsolated β-bridgetrans-66.9143.5169.8-67176.6000110.7G12 N15 E35 R62 R65 L69G12-L30 VanDerWaalsContact O-CD2 3.28Å; G12-L30 WeakPolarHBondContact O-CD2 3.23Å; N15-L30 VanDerWaalsContact OD1-C 3.25Å; N15-L30 PolarHBondContact OD1-O 2.9Å; N15-L30 VanDerWaalsContact OD1-O 3.08Å; L30-E35 HydrophobicContact CB-CG 3.94Å; L30-E35 HydrophobicContact CD1-CG 4.19Å; L30-R62 HydrophobicContact CD2-CB 3.89Å; L30-R62 HydrophobicContact CG-CB 4.21Å; L30-R65 HydrophobicContact CD1-CB 3.84Å; L30-R65 HydrophobicContact CG-CB 4.49Å; L30-L69 HydrophobicContact CD1-CD1 4.15Å
31S98.2Very high97.4Very high3 Ų341.1 Ų41.12%0.02119%0.19CC..PPolyproline II helixtrans-75.3167164.171.30000109.8E13 N15 T33 G34 E35E13-S31 PolarHBondContact O-N 3.38Å; E13-S31 PolarHBondContact O-OG 3.11Å; E13-S31 PolarHBondContact OE2-OG 3.24Å; N15-S31 VanDerWaalsContact OD1-CA 3.23Å; N15-S31 WeakPolarHBondContact OD1-CA 3.48Å; N15-S31 PolarHBondContact OD1-N 3.34Å; S31-T33 PolarHBondContact O-N 2.91Å; S31-T33 WeakPolarHBondContact OG-CB 3.23Å; S31-T33 PolarHBondContact OG-N 2.9Å; S31-G34 WeakPolarHBondContact O-CA 3.16Å; S31-G34 PolarHBondContact O-N 2.98Å; S31-G34 PolarHBondContact OG-N 2.96Å; S31-G34 VanDerWaalsContact OG-N 3.07Å; S31-E35 PolarHBondContact O-N 3.42Å
32E97.9Very high97.6Very high149 Ų14937.1 Ų37.170%0.69618%0.175SC*.Hα-helixtrans-56.2-35.6171.4-66.4-175.6-17500112K36E32-K36 WeakPolarHBondContact O-CG 2.98Å; E32-K36 PolarHBondContact O-N 3.39Å
33T96.6Very high97.9Very high67 Ų6741.3 Ų41.341%0.41119%0.194SC..Hα-helixtrans-62.4-49.4172.4-56.50000110.1S31 E35 K36 E37S31-T33 PolarHBondContact O-N 2.91Å; S31-T33 WeakPolarHBondContact OG-CB 3.23Å; S31-T33 PolarHBondContact OG-N 2.9Å; T33-E35 VanDerWaalsContact C-N 3.31Å; T33-E35 PolarHBondContact O-N 3.25Å; T33-K36 WeakPolarHBondContact O-CB 3.3Å; T33-K36 PolarHBondContact O-N 3.16Å; T33-K36 VanDerWaalsContact O-N 3.09Å; T33-E37 HydrophobicContact CG2-CG 4.38Å; T33-E37 WeakPolarHBondContact O-CG 3.32Å; T33-E37 PolarHBondContact O-N 3.26Å
34G97.8Very high98Very high0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-60.2-36.317900000114.2E13 S31 E37 A38E13-G34 WeakPolarHBondContact O-CA 3.29Å; S31-G34 WeakPolarHBondContact O-CA 3.16Å; S31-G34 PolarHBondContact O-N 2.98Å; S31-G34 PolarHBondContact OG-N 2.96Å; S31-G34 VanDerWaalsContact OG-N 3.07Å; G34-E37 PolarHBondContact O-N 2.59Å; G34-A38 PolarHBondContact O-N 3Å
35E98.6Very high98.1Very high53 Ų5341.5 Ų41.525%0.24820%0.196CC..Hα-helixtrans-65.6-41.2173.4-66.6-165.216300112L30 S31 T33 A38 K39 R65 L69L30-E35 HydrophobicContact CB-CG 3.94Å; L30-E35 HydrophobicContact CD1-CG 4.19Å; S31-E35 PolarHBondContact O-N 3.42Å; T33-E35 VanDerWaalsContact C-N 3.31Å; T33-E35 PolarHBondContact O-N 3.25Å; E35-A38 PolarHBondContact O-N 2.86Å; E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.18Å; E35-R65 IonicContact OE1-CZ 3.87Å; E35-R65 IonicContact OE1-NE 3.83Å; E35-R65 IonicContact OE1-NH2 3.82Å; E35-R65 PolarHBondContact OE1-NH2 2.94Å; E35-L69 HydrophobicContact CB-CD1 4.02Å; E35-L69 HydrophobicContact CG-CD1 4.11Å
36K97.9Very high98.1Very high137 Ų13746.6 Ų46.660%0.59622%0.218SC*.Hα-helixtrans-64.5-40.2174.6-68.9168.1-173.5168.10111.5E32 T33 K39 R40E32-K36 WeakPolarHBondContact O-CG 2.98Å; E32-K36 PolarHBondContact O-N 3.39Å; T33-K36 WeakPolarHBondContact O-CB 3.3Å; T33-K36 PolarHBondContact O-N 3.16Å; T33-K36 VanDerWaalsContact O-N 3.09Å; K36-K39 PolarHBondContact O-N 3.1Å; K36-R40 WeakPolarHBondContact O-CB 3.16Å; K36-R40 PolarHBondContact O-N 2.77Å
37E97.5Very high98Very high26 Ų2650.3 Ų50.312%0.12124%0.241CC..Hα-helixtrans-61.2-46.2175.1-67.8-178.3142.500111.5G12 E13 T33 G34 R40 G41 T212G12-E37 WeakPolarHBondContact CA-OE2 3.33Å; E13-E37 PolarHBondContact N-OE2 3.39Å; T33-E37 HydrophobicContact CG2-CG 4.38Å; T33-E37 WeakPolarHBondContact O-CG 3.32Å; T33-E37 PolarHBondContact O-N 3.26Å; G34-E37 PolarHBondContact O-N 2.59Å; E37-R40 PolarHBondContact O-N 3.28Å; E37-G41 PolarHBondContact O-N 3.22Å; E37-T212 PolarHBondContact OE1-OG1 2.84Å; E37-T212 WeakPolarHBondContact OE2-CB 3.45Å; E37-T212 PolarHBondContact OE2-OG1 2.88Å
38A98.4Very high97.9Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-61.7-44.5177.700000112.3G34 E35 R40 G41 G42 T66 L69 V70G34-A38 PolarHBondContact O-N 3Å; E35-A38 PolarHBondContact O-N 2.86Å; A38-R40 PolarHBondContact O-N 3.15Å; A38-G41 PolarHBondContact O-N 3.26Å; A38-G42 PolarHBondContact O-N 3.15Å; A38-T66 HydrophobicContact CB-CG2 3.88Å; A38-L69 HydrophobicContact CB-CB 3.92Å; A38-L69 HydrophobicContact CB-CD1 3.78Å; A38-V70 WeakPolarHBondContact O-CG2 3.44Å
39K98.5Very high97.9Very high114 Ų11454.3 Ų54.350%0.49628%0.283SS..Hα-helixtrans-61.4-42.3175.4-72.3176.2-178.6179.10112.1E35 K36 G42 Q43 L69E35-K39 WeakPolarHBondContact O-CG 3.39Å; E35-K39 PolarHBondContact O-N 3.18Å; K36-K39 PolarHBondContact O-N 3.1Å; K39-G42 PolarHBondContact O-N 3.45Å; K39-Q43 PolarHBondContact O-N 3.02Å; K39-L69 HydrophobicContact CG-CB 4.4Å; K39-L69 HydrophobicContact CG-CD2 4.26Å
40R97.9Very high97.9Very high91 Ų9153.5 Ų53.534%0.34328%0.278SS..Hα-helixtrans-63.4-40.9175.4-176179.461-132.6-0.9111.7K36 E37 A38 G42 Q43 A44 T238K36-R40 WeakPolarHBondContact O-CB 3.16Å; K36-R40 PolarHBondContact O-N 2.77Å; E37-R40 PolarHBondContact O-N 3.28Å; A38-R40 PolarHBondContact O-N 3.15Å; R40-G42 VanDerWaalsContact C-N 3.33Å; R40-Q43 PolarHBondContact O-N 2.83Å; R40-A44 PolarHBondContact O-N 3.31Å; R40-T238 VanDerWaalsContact NE-CG2 3.31Å
41G98Very high97.9Very high2 Ų258.1 Ų58.12%0.02130%0.299CS..Hα-helixtrans-61.1-41173.200000112.5E37 A38 A44 L45 G213 P215E37-G41 PolarHBondContact O-N 3.22Å; A38-G41 PolarHBondContact O-N 3.26Å; G41-A44 PolarHBondContact O-N 3.49Å; G41-L45 WeakPolarHBondContact O-CG 3.37Å; G41-L45 PolarHBondContact O-N 2.92Å; G41-L45 VanDerWaalsContact O-N 3.11Å; G41-G213 WeakPolarHBondContact CA-O 3.42Å; G41-P215 WeakPolarHBondContact O-CG 3.48Å
42G98.1Very high97.9Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-60.6-46171.900000112.5A38 K39 R40 A44 L45 K46 I74A38-G42 PolarHBondContact O-N 3.15Å; K39-G42 PolarHBondContact O-N 3.45Å; R40-G42 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 2.92Å; G42-L45 PolarHBondContact O-N 3.22Å; G42-K46 PolarHBondContact O-N 2.7Å; G42-I74 WeakPolarHBondContact O-CG2 3.39Å
43Q98.1Very high98Very high88 Ų8853.5 Ų53.541%0.41128%0.279SS..Hα-helixtrans-59.9-44.6176.1-171.761.951.100111.9K39 R40 L45 K46 D47K39-Q43 PolarHBondContact O-N 3.02Å; R40-Q43 PolarHBondContact O-N 2.83Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 3.11Å; Q43-K46 WeakPolarHBondContact O-CB 3.28Å; Q43-K46 PolarHBondContact O-N 3.35Å; Q43-K46 VanDerWaalsContact O-N 3.11Å; Q43-D47 PolarHBondContact NE2-OD1 3.46Å; Q43-D47 PolarHBondContact O-N 2.7Å
44A98Very high98.1Very high13 Ų1350.6 Ų50.611%0.10726%0.261CS..Hα-helixtrans-60.6-37.2177.300000112.7R40 G41 G42 A48 L233R40-A44 PolarHBondContact O-N 3.31Å; G41-A44 PolarHBondContact O-N 3.49Å; G42-A44 PolarHBondContact O-N 2.92Å; A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 3.21Å; A44-L233 HydrophobicContact CB-CB 4.42Å
45L98.4Very high98.1Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-69.2-39.4174.4-71.4169.8000112.2V7 G41 G42 Q43 A48 G49 F50 F52 V70 I74 P215 L233V7-L45 HydrophobicContact CG1-CD1 4.45Å; V7-L45 HydrophobicContact CG1-CD2 3.96Å; V7-L45 HydrophobicContact CG2-CD2 4.19Å; G41-L45 WeakPolarHBondContact O-CG 3.37Å; G41-L45 PolarHBondContact O-N 2.92Å; G41-L45 VanDerWaalsContact O-N 3.11Å; G42-L45 PolarHBondContact O-N 3.22Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 3.11Å; L45-A48 CarbonylContact O-C 3.55Å; L45-A48 PolarHBondContact O-N 3.01Å; L45-G49 PolarHBondContact O-N 3.23Å; L45-F50 HydrophobicContact CB-CB 4.28Å; L45-F50 HydrophobicContact CD2-CB 4.1Å; L45-F50 HydrophobicContact CD2-CD2 3.83Å; L45-F50 HydrophobicContact CD2-CE2 4.42Å; L45-F50 HydrophobicContact CD2-CG 3.91Å; L45-F50 PolarHBondContact O-N 2.82Å; L45-F52 HydrophobicContact CD1-CE2 4.13Å; L45-F52 HydrophobicContact CD1-CZ 4.14Å; L45-F52 HydrophobicContact CD2-CZ 4.1Å; L45-V70 HydrophobicContact CD1-CG1 3.66Å; L45-I74 HydrophobicContact CB-CG2 4.03Å; L45-P215 HydrophobicContact CD1-CB 4.23Å; L45-P215 HydrophobicContact CD1-CG 4.01Å; L45-P215 HydrophobicContact CD2-CB 3.89Å; L45-P215 HydrophobicContact CD2-CG 4.2Å; L45-P215 HydrophobicContact CG-CB 4.01Å; L45-P215 HydrophobicContact CG-CG 3.77Å; L45-L233 HydrophobicContact CD2-CD1 3.7Å
46K97.9Very high98.1Very high110 Ų11048.2 Ų48.248%0.47825%0.25SC..Hα-helixtrans-60.6-50.1174.8-165.9179.5-166153.40111.6G42 Q43 A48 G49 G73 I74G42-K46 PolarHBondContact O-N 2.7Å; Q43-K46 WeakPolarHBondContact O-CB 3.28Å; Q43-K46 PolarHBondContact O-N 3.35Å; Q43-K46 VanDerWaalsContact O-N 3.11Å; K46-A48 PolarHBondContact O-N 3.42Å; K46-G49 WeakPolarHBondContact O-CA 3.14Å; K46-G49 PolarHBondContact O-N 3.46Å; K46-G73 WeakPolarHBondContact CD-O 3.41Å; K46-G73 PolarHBondContact NZ-O 2.88Å; K46-I74 HydrophobicContact CB-CG2 4.06Å
47D97.1Very high98.2Very high121 Ų12141.7 Ų41.765%0.64722%0.221SC*.Hα-helixtrans-63-33-178.3-65.1-19.6000111.5Q43 G49Q43-D47 PolarHBondContact NE2-OD1 3.46Å; Q43-D47 PolarHBondContact O-N 2.7Å; D47-G49 VanDerWaalsContact C-N 3.29Å; D47-G49 PolarHBondContact O-N 3.27Å
48A96.9Very high98.2Very high55 Ų5540.5 Ų40.546%0.45522%0.216SC..THydrogen-bonded Turntrans-83.42174.500000114.1A44 L45 K46 F50A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 3.21Å; L45-A48 CarbonylContact O-C 3.55Å; L45-A48 PolarHBondContact O-N 3.01Å; K46-A48 PolarHBondContact O-N 3.42Å; A48-F50 HydrophobicContact CB-CD2 3.67Å; A48-F50 HydrophobicContact CB-CE2 3.74Å
49G97.4Very high98.3Very high61 Ų6141.7 Ų41.763%0.62922%0.223SC*.THydrogen-bonded Turntrans67.334.4175.900000114.2L45 K46 D47L45-G49 PolarHBondContact O-N 3.23Å; K46-G49 WeakPolarHBondContact O-CA 3.14Å; K46-G49 PolarHBondContact O-N 3.46Å; D47-G49 VanDerWaalsContact C-N 3.29Å; D47-G49 PolarHBondContact O-N 3.27Å
50F98.1Very high98.3Very high25 Ų2536.3 Ų36.311%0.1120%0.199CC..  trans-78.8135.1178.2-83.6-90.9000112.7K5 V7 L45 A48 F52 Q76 L217 L233K5-F50 HydrophobicContact CD-CE1 4.19Å; V7-F50 HydrophobicContact CG2-CD1 3.89Å; V7-F50 HydrophobicContact CG2-CE1 3.71Å; V7-F50 HydrophobicContact CG2-CZ 4.32Å; L45-F50 HydrophobicContact CB-CB 4.28Å; L45-F50 HydrophobicContact CD2-CB 4.1Å; L45-F50 HydrophobicContact CD2-CD2 3.83Å; L45-F50 HydrophobicContact CD2-CE2 4.42Å; L45-F50 HydrophobicContact CD2-CG 3.91Å; L45-F50 PolarHBondContact O-N 2.82Å; A48-F50 HydrophobicContact CB-CD2 3.67Å; A48-F50 HydrophobicContact CB-CE2 3.74Å; F50-F52 HydrophobicContact CB-CE2 4.05Å; F50-F52 HydrophobicContact CB-CZ 3.9Å; F50-F52 HydrophobicContact CD1-CE1 4.26Å; F50-F52 HydrophobicContact CD1-CZ 4.16Å; F50-F52 HydrophobicContact CG-CZ 4.31Å; F50-Q76 PolarHBondContact O-NE2 3.42Å; F50-L217 HydrophobicContact CE1-CD1 3.89Å; F50-L217 HydrophobicContact CZ-CD1 3.66Å; F50-L217 HydrophobicContact CZ-CD2 3.96Å; F50-L217 HydrophobicContact CZ-CG 4.33Å; F50-L233 HydrophobicContact CD2-CD1 4.18Å; F50-L233 HydrophobicContact CE2-CD1 3.59Å; F50-L233 HydrophobicContact CZ-CD1 4.13Å
51E98.3Very high98.3Very high106 Ų10635.7 Ų35.750%0.49520%0.199SC..  trans-124.8145.2170.2-73.9175.1-171.200108.6R180E51-R180 VanDerWaalsContact CB-CZ 3.44Å; E51-R180 VanDerWaalsContact O-CB 3.25Å; E51-R180 WeakPolarHBondContact O-CB 3.48Å; E51-R180 VanDerWaalsContact O-CD 3.27Å; E51-R180 WeakPolarHBondContact O-CD 3.4Å; E51-R180 PolarHBondContact O-NE 3.12Å; E51-R180 IonicContact OE2-CZ 2.96Å; E51-R180 IonicContact OE2-NH1 3.86Å; E51-R180 PolarHBondContact OE2-NH1 3.41Å; E51-R180 IonicContact OE2-NH2 2.59Å; E51-R180 PolarHBondContact OE2-NH2 2.9Å
52F98.8Very high98.4Very high3 Ų335.7 Ų35.71%0.01320%0.199CC..  trans-125.3144.4-176.7-59.7-71.9000111.2V7 L45 F50 I74 V79 R180 L182V7-F52 HydrophobicContact CB-CE1 3.88Å; V7-F52 HydrophobicContact CB-CZ 4.05Å; V7-F52 HydrophobicContact CG1-CZ 4.45Å; V7-F52 HydrophobicContact CG2-CE1 3.76Å; V7-F52 HydrophobicContact CG2-CZ 3.9Å; L45-F52 HydrophobicContact CD1-CE2 4.13Å; L45-F52 HydrophobicContact CD1-CZ 4.14Å; L45-F52 HydrophobicContact CD2-CZ 4.1Å; F50-F52 HydrophobicContact CB-CE2 4.05Å; F50-F52 HydrophobicContact CB-CZ 3.9Å; F50-F52 HydrophobicContact CD1-CE1 4.26Å; F50-F52 HydrophobicContact CD1-CZ 4.16Å; F50-F52 HydrophobicContact CG-CZ 4.31Å; F52-I74 HydrophobicContact CD2-CD1 3.59Å; F52-I74 HydrophobicContact CE2-CD1 3.64Å; F52-V79 HydrophobicContact CB-CG1 4.4Å; F52-V79 WeakPolarHBondContact O-CG2 3.42Å; F52-R180 WeakPolarHBondContact CA-O 3.43Å; F52-L182 HydrophobicContact CD1-CB 3.63Å; F52-L182 HydrophobicContact CD2-CB 4.28Å; F52-L182 HydrophobicContact CD2-CD2 4.23Å; F52-L182 HydrophobicContact CE1-CB 3.7Å; F52-L182 HydrophobicContact CE2-CB 4.34Å; F52-L182 HydrophobicContact CE2-CD2 4.05Å; F52-L182 HydrophobicContact CG-CB 3.92Å; F52-L182 HydrophobicContact CZ-CB 4.05Å; F52-L182 HydrophobicContact CZ-CD1 4.32Å; F52-L182 HydrophobicContact CZ-CD2 4.32Å; F52-L182 HydrophobicContact CZ-CG 4.47Å
53D98.8Very high98.4Very high52 Ų5235.7 Ų35.728%0.27820%0.199SC..SBendtrans-105.6-18.4177.8-48.4-59.6000111.1K179 R180D53-K179 HydrophobicContact CB-CB 4.14Å; D53-K179 HydrophobicContact CB-CD 4.48Å; D53-K179 HydrophobicContact CB-CG 4.32Å; D53-R180 PolarHBondContact N-O 3.13Å; D53-R180 IonicContact OD1-CZ 3.98Å; D53-R180 IonicContact OD1-NE 3.29Å; D53-R180 PolarHBondContact OD1-NE 2.87Å; D53-R180 IonicContact OD1-NH2 3.02Å; D53-R180 PolarHBondContact OD1-NH2 3.38Å; D53-R180 WeakPolarHBondContact OD2-CB 3.25Å; D53-R180 IonicContact OD2-CZ 2.8Å; D53-R180 PolarHBondContact OD2-N 2.85Å; D53-R180 IonicContact OD2-NE 3.95Å; D53-R180 PolarHBondContact OD2-NE 2.74Å; D53-R180 IonicContact OD2-NH2 3.06Å
54L98.7Very high98.4Very high6 Ų632.5 Ų32.53%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-157.2138.5-176.8-163.958.6000111.5Y56 P80 H82 Q174 K179 R180 V181 L182L54-Y56 HydrophobicContact CD2-CE2 3.68Å; L54-Y56 WeakPolarHBondContact CD2-OH 3.48Å; L54-Y56 HydrophobicContact CG-CE2 3.87Å; L54-P80 HydrophobicContact CD1-CB 3.89Å; L54-H82 VanDerWaalsContact CD1-CD2 3.44Å; L54-H82 WeakPolarHBondContact CD1-CD2 3.49Å; L54-Q174 HydrophobicContact CD2-CB 3.99Å; L54-Q174 HydrophobicContact CD2-CG 3.69Å; L54-K179 HydrophobicContact CB-CD 4.44Å; L54-K179 HydrophobicContact CD2-CD 4.37Å; L54-R180 PolarHBondContact N-O 3.38Å; L54-V181 HydrophobicContact CB-CG2 4.49Å; L54-V181 WeakPolarHBondContact O-CA 3.42Å; L54-L182 PolarHBondContact O-N 3.4Å; L54-L182 VanDerWaalsContact O-N 3.13Å
55C98.9Very high98.5Very high0 Ų036.1 Ų36.10%020%0.195CC..EExtended strand (participates in β ladder)trans-123.2145.1176-63.40000112.1L67 P80 V81 H82 L182C55-L67 HydrophobicContact CB-CD1 3.95Å; C55-L67 HydrophobicContact CB-CD2 3.82Å; C55-L67 HydrophobicContact CB-CG 4.46Å; C55-P80 PolarHBondContact N-O 3.26Å; C55-V81 HydrophobicContact CB-CG2 4.16Å; C55-V81 WeakPolarHBondContact O-CA 3.38Å; C55-H82 PolarHBondContact O-N 3.11Å; C55-L182 CarbonylContact C-O 3.56Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 2.99Å
56Y98.9Very high98.5Very high3 Ų336.1 Ų36.11%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-123.6142.2174.1-63.4-87.4000110.8L54 H82 F166 E170 I171 Q174 V181 L182 I183 A184L54-Y56 HydrophobicContact CD2-CE2 3.68Å; L54-Y56 WeakPolarHBondContact CD2-OH 3.48Å; L54-Y56 HydrophobicContact CG-CE2 3.87Å; Y56-H82 WeakPolarHBondContact CA-O 3.39Å; Y56-H82 HydrophobicContact CD1-CB 3.67Å; Y56-H82 HydrophobicContact CE1-CB 3.83Å; Y56-F166 AromaticContact CD1-CE1 3.61Å; Y56-F166 HydrophobicContact CD1-CE1 3.61Å; Y56-F166 AromaticContact CD1-CZ 3.58Å; Y56-F166 HydrophobicContact CD1-CZ 3.58Å; Y56-F166 HydrophobicContact CE1-CE1 4.03Å; Y56-F166 AromaticContact CE1-CZ 3.75Å; Y56-F166 HydrophobicContact CE1-CZ 3.75Å; Y56-F166 HydrophobicContact CG-CE1 4.36Å; Y56-E170 PolarHBondContact OH-O 3.49Å; Y56-I171 HydrophobicContact CD1-CG1 4.09Å; Y56-I171 HydrophobicContact CD2-CG1 3.89Å; Y56-I171 HydrophobicContact CE1-CG1 3.98Å; Y56-I171 HydrophobicContact CE2-CB 4.36Å; Y56-I171 HydrophobicContact CE2-CG1 3.78Å; Y56-I171 HydrophobicContact CE2-CG2 4.36Å; Y56-I171 HydrophobicContact CG-CD1 4.38Å; Y56-I171 HydrophobicContact CG-CG1 4.02Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.1Å; Y56-V181 HydrophobicContact CD2-CG1 3.6Å; Y56-V181 HydrophobicContact CE2-CG1 3.76Å; Y56-L182 PolarHBondContact N-O 3.44Å; Y56-I183 HydrophobicContact CD2-CG1 4.49Å; Y56-I183 WeakPolarHBondContact O-CA 3.39Å; Y56-A184 PolarHBondContact O-N 3.18Å
57T98.9Very high98.5Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-148.4171.8172.1-167.90000111.7A63 I64 L67 V81 H82 R83 T84 A184T57-A63 WeakPolarHBondContact OG1-CB 2.95Å; T57-I64 HydrophobicContact CG2-CG1 3.74Å; T57-L67 HydrophobicContact CG2-CD2 4Å; T57-V81 HydrophobicContact CG2-CG1 4.05Å; T57-H82 PolarHBondContact N-O 2.88Å; T57-R83 HydrophobicContact CG2-CG 3.7Å; T57-R83 WeakPolarHBondContact O-CA 3.38Å; T57-T84 PolarHBondContact O-N 2.78Å; T57-T84 VanDerWaalsContact O-N 3.08Å; T57-A184 WeakPolarHBondContact CA-O 3.25Å; T57-A184 VanDerWaalsContact CB-O 3.26Å; T57-A184 WeakPolarHBondContact CB-O 3.27Å; T57-A184 PolarHBondContact OG1-O 2.97Å
58S98.9Very high98.6Very high0 Ų031.4 Ų31.40%017%0.166CC..  trans-76-176.2174.677.20000111.5L60 A63 T84 N88 H186S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact OG-N 2.96Å; S58-L60 VanDerWaalsContact OG-N 3.12Å; S58-A63 WeakPolarHBondContact OG-CB 3.45Å; S58-T84 VanDerWaalsContact CA-O 3.31Å; S58-T84 WeakPolarHBondContact CA-O 3.24Å; S58-N88 WeakPolarHBondContact CB-OD1 3.45Å; S58-H186 WeakPolarHBondContact CB-NE2 3.17Å; S58-H186 PolarHBondContact OG-NE2 2.89Å
59V98.8Very high98.7Very high26 Ų2630.2 Ų30.216%0.15815%0.151CC..SBendtrans-93.713170-61.40000112.7R83 W85 N88 R141 Y142V59-R83 HydrophobicContact CG1-CB 4.29Å; V59-W85 HydrophobicContact CG2-CB 4.19Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.39Å; V59-N88 PolarHBondContact N-OD1 3.32Å; V59-N88 VanDerWaalsContact N-OD1 3.16Å; V59-R141 HydrophobicContact CG2-CG 4.34Å; V59-R141 PolarHBondContact O-NH1 2.92Å; V59-Y142 HydrophobicContact CG2-CE1 3.6Å
60L98.8Very high98.8Very high0 Ų027.3 Ų27.30%012%0.121CC..SBendtrans-100.8129.9-179.4-57.7177.2000110.7D27 S58 R62 A63 I64 N88D27-L60 WeakPolarHBondContact OD1-CA 3.29Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact OG-N 2.96Å; S58-L60 VanDerWaalsContact OG-N 3.12Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 VanDerWaalsContact CD1-NH2 3.25Å; L60-R62 PolarHBondContact O-N 2.92Å; L60-R62 VanDerWaalsContact O-N 3.11Å; L60-A63 PolarHBondContact O-N 3.2Å; L60-I64 PolarHBondContact O-N 2.93Å; L60-N88 HydrophobicContact CD1-CB 4.19Å
61K98.8Very high98.8Very high78 Ų7826.2 Ų26.234%0.33912%0.116SC..Hα-helixtrans-57.3-35.1-16774.4-178.463.1167.50113.5D27 D29 A63 I64 R65D27-K61 WeakPolarHBondContact O-CD 3.37Å; D27-K61 WeakPolarHBondContact O-CE 3.47Å; D27-K61 PolarHBondContact O-NZ 3.02Å; D27-K61 WeakPolarHBondContact OD1-CG 3.36Å; D27-K61 PolarHBondContact OD1-N 3.48Å; D27-K61 WeakPolarHBondContact OD2-CE 3.44Å; D27-K61 IonicContact OD2-NZ 2.81Å; D29-K61 HydrophobicContact CB-CD 3.83Å; D29-K61 HydrophobicContact CB-CG 4.41Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.09Å; K61-I64 PolarHBondContact O-N 3.06Å; K61-R65 WeakPolarHBondContact O-CB 3.32Å; K61-R65 WeakPolarHBondContact O-CG 3.17Å; K61-R65 PolarHBondContact O-N 3.02Å
62R98.8Very high98.9Very high2 Ų225.7 Ų25.71%0.00812%0.117CC..Hα-helixtrans-61.8-36.7178.459.2-171.7-178.2-88.42.2113.7H11 G24 F26 A28 L30 L60 T66 H186H11-R62 VanDerWaalsContact CE1-CD 3.47Å; H11-R62 WeakPolarHBondContact CE1-CD 3.31Å; H11-R62 PolarHBondContact NE2-NE 3.23Å; G24-R62 PolarHBondContact O-NH2 3.12Å; F26-R62 PolarHBondContact O-NH1 3.38Å; A28-R62 WeakPolarHBondContact O-CB 3.39Å; L30-R62 HydrophobicContact CD2-CB 3.89Å; L30-R62 HydrophobicContact CG-CB 4.21Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 VanDerWaalsContact CD1-NH2 3.25Å; L60-R62 PolarHBondContact O-N 2.92Å; L60-R62 VanDerWaalsContact O-N 3.11Å; R62-T66 WeakPolarHBondContact O-CB 3.29Å; R62-T66 PolarHBondContact O-N 2.84Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.1Å; R62-H186 PolarHBondContact NE-CE1 2.92Å; R62-H186 PolarHBondContact NE-ND1 3.41Å
63A98.9Very high98.8Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-76-41.417600000110.8H11 T57 S58 L60 K61 T66 L67H11-A63 HydrophobicContact CB-CB 4.49Å; T57-A63 WeakPolarHBondContact OG1-CB 2.95Å; S58-A63 WeakPolarHBondContact OG-CB 3.45Å; L60-A63 PolarHBondContact O-N 3.2Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.09Å; A63-T66 WeakPolarHBondContact O-CB 3.39Å; A63-T66 PolarHBondContact O-N 2.72Å; A63-L67 PolarHBondContact O-N 3.13Å
64I98.9Very high98.8Very high22 Ų2224.9 Ų24.911%0.11312%0.118CC..Hα-helixtrans-60.4-48.3175.8-62.1166000111.2T57 L60 K61 L67 W68T57-I64 HydrophobicContact CG2-CG1 3.74Å; L60-I64 PolarHBondContact O-N 2.93Å; K61-I64 PolarHBondContact O-N 3.06Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 3.31Å; I64-W68 HydrophobicContact CG2-CD2 3.97Å; I64-W68 HydrophobicContact CG2-CE3 4.42Å; I64-W68 HydrophobicContact CG2-CH2 4.19Å; I64-W68 HydrophobicContact CG2-CZ2 3.71Å; I64-W68 PolarHBondContact O-N 3.4Å
65R98.9Very high98.8Very high89 Ų8930.7 Ų30.734%0.33615%0.15SC..Hα-helixtrans-66.6-37.2177.9-73.6-179.779.5145.10.3112.1D29 L30 E35 K61 L67 W68 L69D29-R65 WeakPolarHBondContact OD1-CD 3.39Å; D29-R65 IonicContact OD1-CZ 3.49Å; D29-R65 IonicContact OD1-NE 2.94Å; D29-R65 IonicContact OD1-NH1 2.77Å; D29-R65 PolarHBondContact OD1-NH1 3.28Å; D29-R65 IonicContact OD2-CZ 2.7Å; D29-R65 IonicContact OD2-NH1 3.33Å; D29-R65 PolarHBondContact OD2-NH1 3.06Å; L30-R65 HydrophobicContact CD1-CB 3.84Å; L30-R65 HydrophobicContact CG-CB 4.49Å; E35-R65 IonicContact OE1-CZ 3.87Å; E35-R65 IonicContact OE1-NE 3.83Å; E35-R65 IonicContact OE1-NH2 3.82Å; E35-R65 PolarHBondContact OE1-NH2 2.94Å; K61-R65 WeakPolarHBondContact O-CB 3.32Å; K61-R65 WeakPolarHBondContact O-CG 3.17Å; K61-R65 PolarHBondContact O-N 3.02Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.49Å; R65-W68 HydrophobicContact CG-CE3 4.41Å; R65-W68 PolarHBondContact O-N 3.39Å; R65-L69 WeakPolarHBondContact O-CB 3.5Å; R65-L69 VanDerWaalsContact O-CG 3.28Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 2.8Å
66T98.9Very high98.8Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-57.4-49171.3-62.70000110.1I9 H11 G12 A38 R62 A63 W68 L69 V70I9-T66 HydrophobicContact CD1-CG2 4.14Å; I9-T66 HydrophobicContact CG1-CG2 4.44Å; H11-T66 VanDerWaalsContact CA-OG1 3.32Å; H11-T66 WeakPolarHBondContact CA-OG1 3.41Å; H11-T66 VanDerWaalsContact CB-OG1 3.3Å; H11-T66 WeakPolarHBondContact CB-OG1 3.36Å; G12-T66 PolarHBondContact N-OG1 2.89Å; A38-T66 HydrophobicContact CB-CG2 3.88Å; R62-T66 WeakPolarHBondContact O-CB 3.29Å; R62-T66 PolarHBondContact O-N 2.84Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.1Å; A63-T66 WeakPolarHBondContact O-CB 3.39Å; A63-T66 PolarHBondContact O-N 2.72Å; T66-W68 PolarHBondContact O-N 3.5Å; T66-L69 PolarHBondContact O-N 3.09Å; T66-V70 WeakPolarHBondContact O-CG2 3.41Å; T66-V70 PolarHBondContact O-N 3.21Å
67L98.9Very high98.8Very high1 Ų137.2 Ų37.21%0.00518%0.182CC..Hα-helixtrans-59.4-45.7178-178.958.6000111.8C55 T57 A63 I64 R65 V70 L71 V81 L182 A184C55-L67 HydrophobicContact CB-CD1 3.95Å; C55-L67 HydrophobicContact CB-CD2 3.82Å; C55-L67 HydrophobicContact CB-CG 4.46Å; T57-L67 HydrophobicContact CG2-CD2 4Å; A63-L67 PolarHBondContact O-N 3.13Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 3.31Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.49Å; L67-V70 PolarHBondContact O-N 3.48Å; L67-L71 HydrophobicContact CD1-CD1 4.09Å; L67-L71 HydrophobicContact CD1-CD2 4.47Å; L67-L71 HydrophobicContact CD1-CG 3.99Å; L67-L71 HydrophobicContact CG-CD1 3.99Å; L67-L71 HydrophobicContact CG-CG 4.28Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.31Å; L67-V81 HydrophobicContact CD2-CB 4.43Å; L67-V81 HydrophobicContact CD2-CG1 3.52Å; L67-V81 HydrophobicContact CD2-CG2 4.03Å; L67-L182 HydrophobicContact CD1-CD2 3.48Å; L67-L182 VanDerWaalsContact CD1-CD2 3.48Å; L67-L182 HydrophobicContact CD1-CG 4.02Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.2Å; L67-A184 HydrophobicContact CG-CB 4.4Å
68W98.9Very high98.8Very high131 Ų13146.3 Ų46.350%0.49622%0.216SC..Hα-helixtrans-60.8-46.2178.7-70.6-12.7000112.7I64 R65 T66 V70 L71 D72I64-W68 HydrophobicContact CG2-CD2 3.97Å; I64-W68 HydrophobicContact CG2-CE3 4.42Å; I64-W68 HydrophobicContact CG2-CH2 4.19Å; I64-W68 HydrophobicContact CG2-CZ2 3.71Å; I64-W68 PolarHBondContact O-N 3.4Å; R65-W68 HydrophobicContact CG-CE3 4.41Å; R65-W68 PolarHBondContact O-N 3.39Å; T66-W68 PolarHBondContact O-N 3.5Å; W68-V70 VanDerWaalsContact C-N 3.27Å; W68-V70 PolarHBondContact O-N 3.03Å; W68-L71 PolarHBondContact O-N 3.3Å; W68-D72 VanDerWaalsContact O-CB 3.27Å; W68-D72 WeakPolarHBondContact O-CB 3.45Å; W68-D72 PolarHBondContact O-N 3.12Å
69L98.9Very high98.7Very high29 Ų2946.4 Ų46.415%0.15222%0.217CC..Hα-helixtrans-63.3-35.1177.4-69.9171.8000112.2L30 E35 A38 K39 R65 T66 G73L30-L69 HydrophobicContact CD1-CD1 4.15Å; E35-L69 HydrophobicContact CB-CD1 4.02Å; E35-L69 HydrophobicContact CG-CD1 4.11Å; A38-L69 HydrophobicContact CB-CB 3.92Å; A38-L69 HydrophobicContact CB-CD1 3.78Å; K39-L69 HydrophobicContact CG-CB 4.4Å; K39-L69 HydrophobicContact CG-CD2 4.26Å; R65-L69 WeakPolarHBondContact O-CB 3.5Å; R65-L69 VanDerWaalsContact O-CG 3.28Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 2.8Å; T66-L69 PolarHBondContact O-N 3.09Å; L69-G73 PolarHBondContact O-N 3.22Å; L69-G73 VanDerWaalsContact O-N 3.1Å
70V98.9Very high98.7Very high0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-66.5-50.9173.3166.90000110.9I9 A38 L45 T66 L67 W68 D72 G73 I74 L182I9-V70 HydrophobicContact CD1-CG2 4Å; A38-V70 WeakPolarHBondContact O-CG2 3.44Å; L45-V70 HydrophobicContact CD1-CG1 3.66Å; T66-V70 WeakPolarHBondContact O-CG2 3.41Å; T66-V70 PolarHBondContact O-N 3.21Å; L67-V70 PolarHBondContact O-N 3.48Å; W68-V70 VanDerWaalsContact C-N 3.27Å; W68-V70 PolarHBondContact O-N 3.03Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 2.8Å; V70-G73 PolarHBondContact O-N 2.86Å; V70-I74 HydrophobicContact CG1-CD1 4.42Å; V70-I74 WeakPolarHBondContact O-CG1 3.32Å; V70-I74 PolarHBondContact O-N 3.02Å; V70-I74 VanDerWaalsContact O-N 3.12Å; V70-L182 HydrophobicContact CG1-CD2 3.84Å
71L98.9Very high98.7Very high2 Ų250 Ų501%0.0124%0.24CC..Hα-helixtrans-63.1-38-178.8-70.4-179.4000112.5L67 W68 I74 D75 Q76 V81L67-L71 HydrophobicContact CD1-CD1 4.09Å; L67-L71 HydrophobicContact CD1-CD2 4.47Å; L67-L71 HydrophobicContact CD1-CG 3.99Å; L67-L71 HydrophobicContact CG-CD1 3.99Å; L67-L71 HydrophobicContact CG-CG 4.28Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.31Å; W68-L71 PolarHBondContact O-N 3.3Å; L71-I74 HydrophobicContact CD2-CD1 4.17Å; L71-D75 PolarHBondContact O-N 3.39Å; L71-D75 VanDerWaalsContact O-N 3.11Å; L71-Q76 HydrophobicContact CD2-CB 4.14Å; L71-Q76 PolarHBondContact O-N 2.98Å; L71-V81 HydrophobicContact CD1-CG2 4.05Å
72D98.8Very high98.7Very high96 Ų9650.8 Ų50.851%0.51325%0.245SC..Hα-helixtrans-62.2-47.9172.6-175.834.7000110.9W68 V70 I74 D75 M77W68-D72 VanDerWaalsContact O-CB 3.27Å; W68-D72 WeakPolarHBondContact O-CB 3.45Å; W68-D72 PolarHBondContact O-N 3.12Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 2.8Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 3.01Å; D72-D75 PolarHBondContact O-N 2.74Å; D72-D75 VanDerWaalsContact O-N 3.14Å; D72-M77 HydrophobicContact CB-CG 4.29Å; D72-M77 HydrophobicContact CB-SD 4.2Å
73G98.1Very high98.7Very high24 Ų2456 Ų5625%0.24726%0.264CS..Hα-helixtrans-60.1-32.5179.200000114.7K46 L69 V70K46-G73 WeakPolarHBondContact CD-O 3.41Å; K46-G73 PolarHBondContact NZ-O 2.88Å; L69-G73 PolarHBondContact O-N 3.22Å; L69-G73 VanDerWaalsContact O-N 3.1Å; V70-G73 PolarHBondContact O-N 2.86Å
74I98.3Very high98.7Very high13 Ų1356.8 Ų56.87%0.06727%0.27CS..THydrogen-bonded Turntrans-100.17.6-179.972.1-177.6000113.8G42 L45 K46 F52 V70 L71 D72 Q76G42-I74 WeakPolarHBondContact O-CG2 3.39Å; L45-I74 HydrophobicContact CB-CG2 4.03Å; K46-I74 HydrophobicContact CB-CG2 4.06Å; F52-I74 HydrophobicContact CD2-CD1 3.59Å; F52-I74 HydrophobicContact CE2-CD1 3.64Å; V70-I74 HydrophobicContact CG1-CD1 4.42Å; V70-I74 WeakPolarHBondContact O-CG1 3.32Å; V70-I74 PolarHBondContact O-N 3.02Å; V70-I74 VanDerWaalsContact O-N 3.12Å; L71-I74 HydrophobicContact CD2-CD1 4.17Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 3.01Å; I74-Q76 HydrophobicContact CD1-CB 4.13Å; I74-Q76 HydrophobicContact CD1-CG 4.32Å; I74-Q76 HydrophobicContact CG1-CB 3.84Å; I74-Q76 HydrophobicContact CG1-CG 4.01Å; I74-Q76 PolarHBondContact O-N 3.18Å; I74-Q76 PolarHBondContact O-NE2 3.31Å
75D98.6Very high98.7Very high129 Ų12957.2 Ų57.269%0.6927%0.27SS*.THydrogen-bonded Turntrans56.244.1-179.4-163.926.2000114.8L71 D72L71-D75 PolarHBondContact O-N 3.39Å; L71-D75 VanDerWaalsContact O-N 3.11Å; D72-D75 PolarHBondContact O-N 2.74Å; D72-D75 VanDerWaalsContact O-N 3.14Å
76Q98.8Very high98.7Very high15 Ų1555.8 Ų55.87%0.0726%0.264CS..  trans-129.731.1-176.4-69.7169.757.600112.4F50 L71 I74 W78 V79F50-Q76 PolarHBondContact O-NE2 3.42Å; L71-Q76 HydrophobicContact CD2-CB 4.14Å; L71-Q76 PolarHBondContact O-N 2.98Å; I74-Q76 HydrophobicContact CD1-CB 4.13Å; I74-Q76 HydrophobicContact CD1-CG 4.32Å; I74-Q76 HydrophobicContact CG1-CB 3.84Å; I74-Q76 HydrophobicContact CG1-CG 4.01Å; I74-Q76 PolarHBondContact O-N 3.18Å; I74-Q76 PolarHBondContact O-NE2 3.31Å; Q76-W78 PolarHBondContact O-N 3.31Å; Q76-V79 HydrophobicContact CB-CG2 3.78Å; Q76-V79 HydrophobicContact CG-CG2 4.44Å; Q76-V79 WeakPolarHBondContact O-CB 3.27Å; Q76-V79 WeakPolarHBondContact O-CG2 3.21Å; Q76-V79 PolarHBondContact O-N 3.41Å
77M98.7Very high98.7Very high125 Ų12555.9 Ų55.962%0.61627%0.265SS*.THydrogen-bonded Turntrans-59.3-19.8178.8-67.5-171.473.800114.2D72 V79D72-M77 HydrophobicContact CB-CG 4.29Å; D72-M77 HydrophobicContact CB-SD 4.2Å; M77-V79 VanDerWaalsContact C-N 3.32Å
78W98.6Very high98.7Very high190 Ų19055.8 Ų55.872%0.7226%0.264SS*.THydrogen-bonded Turntrans-79.1-12.7178.259.8-94.2000113.5Q76Q76-W78 PolarHBondContact O-N 3.31Å
79V98.7Very high98.7Very high3 Ų350.3 Ų50.32%0.01824%0.244CC..SBendtrans-62.3133-179172.50000110F52 Q76 M77 V81F52-V79 HydrophobicContact CB-CG1 4.4Å; F52-V79 WeakPolarHBondContact O-CG2 3.42Å; Q76-V79 HydrophobicContact CB-CG2 3.78Å; Q76-V79 HydrophobicContact CG-CG2 4.44Å; Q76-V79 WeakPolarHBondContact O-CB 3.27Å; Q76-V79 WeakPolarHBondContact O-CG2 3.21Å; Q76-V79 PolarHBondContact O-N 3.41Å; M77-V79 VanDerWaalsContact C-N 3.32Å; V79-V81 PolarHBondContact O-N 3.38Å
80P98.8Very high98.6Very high68 Ų6849 Ų4944%0.44224%0.237SC..  trans-58.8135.5179.8-24.533.8000112.9L54 C55L54-P80 HydrophobicContact CD1-CB 3.89Å; C55-P80 PolarHBondContact N-O 3.26Å
81V98.9Very high98.5Very high34 Ų3449 Ų4921%0.20624%0.237CC..EExtended strand (participates in β ladder)trans-120.8118.9-178.9-178.20000111.3C55 T57 L67 L71 V79 R83C55-V81 HydrophobicContact CB-CG2 4.16Å; C55-V81 WeakPolarHBondContact O-CA 3.38Å; T57-V81 HydrophobicContact CG2-CG1 4.05Å; L67-V81 HydrophobicContact CD2-CB 4.43Å; L67-V81 HydrophobicContact CD2-CG1 3.52Å; L67-V81 HydrophobicContact CD2-CG2 4.03Å; L71-V81 HydrophobicContact CD1-CG2 4.05Å; V79-V81 PolarHBondContact O-N 3.38Å; V81-R83 HydrophobicContact CG1-CG 4.42Å; V81-R83 PolarHBondContact O-NH1 3.47Å
82H98.8Very high98.4Very high93 Ų9350 Ų5043%0.43124%0.241SC..EExtended strand (participates in β ladder)trans-99.4135.1172.1-65-91.2000111.2L54 C55 Y56 T57L54-H82 VanDerWaalsContact CD1-CD2 3.44Å; L54-H82 WeakPolarHBondContact CD1-CD2 3.49Å; C55-H82 PolarHBondContact O-N 3.11Å; Y56-H82 WeakPolarHBondContact CA-O 3.39Å; Y56-H82 HydrophobicContact CD1-CB 3.67Å; Y56-H82 HydrophobicContact CE1-CB 3.83Å; T57-H82 PolarHBondContact N-O 2.88Å
83R98.8Very high98.3Very high111 Ų11145.5 Ų45.542%0.41922%0.217SC..EExtended strand (participates in β ladder)trans-117136-178.9-65.4172.5-178.376.6-1.6109.5T57 V59 V81T57-R83 HydrophobicContact CG2-CG 3.7Å; T57-R83 WeakPolarHBondContact O-CA 3.38Å; V59-R83 HydrophobicContact CG1-CB 4.29Å; V81-R83 HydrophobicContact CG1-CG 4.42Å; V81-R83 PolarHBondContact O-NH1 3.47Å
84T98.8Very high98.2Very high18 Ų1845.3 Ų45.311%0.1122%0.215CC..  trans-149.4142.3177.2-178.40000112.4T57 S58 R86 L87 F166T57-T84 PolarHBondContact O-N 2.78Å; T57-T84 VanDerWaalsContact O-N 3.08Å; S58-T84 VanDerWaalsContact CA-O 3.31Å; S58-T84 WeakPolarHBondContact CA-O 3.24Å; T84-R86 HydrophobicContact CG2-CB 4.16Å; T84-R86 PolarHBondContact O-N 3.05Å; T84-R86 PolarHBondContact OG1-N 2.92Å; T84-L87 HydrophobicContact CG2-CB 4.05Å; T84-L87 HydrophobicContact CG2-CD1 3.94Å; T84-L87 HydrophobicContact CG2-CG 3.7Å; T84-L87 PolarHBondContact O-N 3.5Å; T84-F166 HydrophobicContact CG2-CD1 3.71Å; T84-F166 HydrophobicContact CG2-CD2 4.01Å; T84-F166 HydrophobicContact CG2-CE1 3.43Å; T84-F166 VanDerWaalsContact CG2-CE1 3.43Å; T84-F166 HydrophobicContact CG2-CE2 3.73Å; T84-F166 HydrophobicContact CG2-CG 3.99Å; T84-F166 HydrophobicContact CG2-CZ 3.44Å; T84-F166 VanDerWaalsContact CG2-CZ 3.44Å
85W98.6Very high98.1Very high31 Ų3145 Ų4512%0.11721%0.213CC..G310 helixtrans-62.8-24.5171.974.7-91.8000111.9W25 V59 L87 N88 Y142 L145 Q149 R162W25-W85 HydrophobicContact CH2-CD2 4.47Å; W25-W85 AromaticContact CH2-CE3 3.65Å; W25-W85 HydrophobicContact CH2-CE3 3.65Å; W25-W85 HydrophobicContact CH2-CZ3 4.2Å; W25-W85 AromaticContact CZ2-CE3 3.9Å; W25-W85 HydrophobicContact CZ2-CE3 3.9Å; W25-W85 HydrophobicContact CZ2-CZ3 4.33Å; V59-W85 HydrophobicContact CG2-CB 4.19Å; W85-L87 PolarHBondContact O-N 3.17Å; W85-N88 WeakPolarHBondContact O-CB 3.49Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 3.31Å; W85-Y142 HydrophobicContact CB-CD1 4.28Å; W85-Y142 HydrophobicContact CB-CE1 3.97Å; W85-L145 HydrophobicContact CB-CD1 4.39Å; W85-L145 HydrophobicContact CD2-CD1 3.92Å; W85-L145 HydrophobicContact CG-CD1 3.79Å; W85-L145 HydrophobicContact CG-CD2 4.34Å; W85-Q149 HydrophobicContact CH2-CB 4.46Å; W85-Q149 WeakPolarHBondContact CH2-O 3.2Å; W85-Q149 HydrophobicContact CZ2-CB 4.09Å; W85-Q149 HydrophobicContact CZ2-CG 4.45Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.4Å; W85-R162 HydrophobicContact CH2-CB 3.79Å; W85-R162 HydrophobicContact CH2-CG 4.17Å; W85-R162 HydrophobicContact CZ3-CB 3.99Å; W85-R162 HydrophobicContact CZ3-CG 3.83Å
86R98.5Very high98.1Very high59 Ų5938.9 Ų38.922%0.22318%0.181CC..G310 helixtrans-63.3-15177.7-66.1-177.5177-85.43.3113.1T84 R162 A163 F166T84-R86 HydrophobicContact CG2-CB 4.16Å; T84-R86 PolarHBondContact O-N 3.05Å; T84-R86 PolarHBondContact OG1-N 2.92Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.41Å; R86-R162 WeakPolarHBondContact CD-O 3.32Å; R86-R162 WeakPolarHBondContact CG-O 3.3Å; R86-R162 PolarHBondContact NH1-O 3.38Å; R86-R162 PolarHBondContact O-NH1 3.01Å; R86-A163 WeakPolarHBondContact O-CA 3.32Å; R86-A163 WeakPolarHBondContact O-CB 3.41Å; R86-F166 HydrophobicContact CB-CB 3.94Å; R86-F166 HydrophobicContact CB-CG 4.33Å; R86-F166 HydrophobicContact CG-CB 4.49Å
87L98.7Very high97.9Very high1 Ų138.3 Ų38.31%0.00518%0.179CC..G310 helixtrans-100-0.5172.2-70.9179.2000113.8T84 W85 F166 I183 A185 H186 S189 I193T84-L87 HydrophobicContact CG2-CB 4.05Å; T84-L87 HydrophobicContact CG2-CD1 3.94Å; T84-L87 HydrophobicContact CG2-CG 3.7Å; T84-L87 PolarHBondContact O-N 3.5Å; W85-L87 PolarHBondContact O-N 3.17Å; L87-F166 HydrophobicContact CD1-CD1 4.33Å; L87-F166 HydrophobicContact CD1-CE1 3.94Å; L87-F166 HydrophobicContact CD2-CD1 4.47Å; L87-F166 HydrophobicContact CG-CD1 4.15Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; L87-I183 HydrophobicContact CD1-CG2 4.11Å; L87-I183 HydrophobicContact CD2-CG2 4.49Å; L87-A185 HydrophobicContact CB-CB 4.47Å; L87-H186 PolarHBondContact O-CD2 3.09Å; L87-H186 VanDerWaalsContact O-CD2 3.31Å; L87-S189 WeakPolarHBondContact O-CB 3.21Å; L87-S189 PolarHBondContact O-OG 3.49Å; L87-I193 HydrophobicContact CD2-CD1 4.07Å
88N98.8Very high97.8Very high0 Ų035.9 Ų35.90%017%0.169CC..SBendtrans-54.6157.9175.7-76.40.3000111.9W25 S58 V59 L60 W85 Y142 R162 S189W25-N88 HydrophobicContact CD2-CB 4.5Å; W25-N88 HydrophobicContact CZ2-CB 4.22Å; S58-N88 WeakPolarHBondContact CB-OD1 3.45Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.39Å; V59-N88 PolarHBondContact N-OD1 3.32Å; V59-N88 VanDerWaalsContact N-OD1 3.16Å; L60-N88 HydrophobicContact CD1-CB 4.19Å; W85-N88 WeakPolarHBondContact O-CB 3.49Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 3.31Å; N88-Y142 PolarHBondContact ND2-OH 2.79Å; N88-R162 PolarHBondContact O-NH1 2.92Å; N88-R162 PolarHBondContact O-NH2 2.85Å; N88-S189 WeakPolarHBondContact O-CB 3.48Å; N88-S189 PolarHBondContact O-OG 3.01Å
89E98.1Very high97.5Very high16 Ų1628.2 Ų28.28%0.07514%0.141CC..PPolyproline II helixtrans-58162.6168.2-172.453.9-75.100110.8W25 H91 Y92 R162 H186 G187 N188W25-E89 PolarHBondContact NE1-O 2.86Å; E89-H91 PolarHBondContact O-N 3.5Å; E89-Y92 HydrophobicContact CG-CE2 4.33Å; E89-R162 PolarHBondContact O-NH2 3.22Å; E89-H186 HydrophobicContact CB-CB 3.68Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 3.27Å; E89-H186 WeakPolarHBondContact OE2-CB 3.25Å; E89-G187 PolarHBondContact OE2-N 3.06Å; E89-N188 WeakPolarHBondContact OE1-CB 3.34Å; E89-N188 PolarHBondContact OE1-N 2.9Å; E89-N188 PolarHBondContact OE1-ND2 2.69Å
90R97.1Very high97Very high1 Ų129.9 Ų29.90%0.00415%0.148CC..PPolyproline II helixtrans-53.4130.4168.8179.8179177.5174.40.6110.9G24 Y92 W115 S118 I121 E154 T159 N188G24-R90 VanDerWaalsContact CA-O 3.28Å; G24-R90 WeakPolarHBondContact CA-O 3.21Å; R90-Y92 PolarHBondContact O-N 2.64Å; R90-W115 VanDerWaalsContact CZ-O 3.26Å; R90-W115 PolarHBondContact NH1-O 3.22Å; R90-W115 VanDerWaalsContact NH1-O 3.12Å; R90-W115 PolarHBondContact NH2-O 2.93Å; R90-S118 PolarHBondContact NH1-O 3.08Å; R90-I121 PolarHBondContact NH2-O 3.23Å; R90-E154 HydrophobicContact CG-CB 4.06Å; R90-E154 WeakPolarHBondContact CG-O 3.45Å; R90-E154 PolarHBondContact NE-O 2.9Å; R90-E154 PolarHBondContact NH2-O 2.89Å; R90-T159 WeakPolarHBondContact CA-OG1 3.41Å; R90-N188 HydrophobicContact CB-CB 3.85Å
91H97.7Very high96.4Very high0 Ų029.5 Ų29.50%015%0.151CC..  trans-70.7109.6172.7-160.3-71.5000110.2W25 E89 G93 P151 S152 E154W25-H91 AromaticContact CD1-CD2 3.75Å; W25-H91 AromaticContact CD2-CD2 3.44Å; W25-H91 VanDerWaalsContact CD2-CD2 3.44Å; W25-H91 AromaticContact CE2-CD2 3.86Å; W25-H91 AromaticContact CE3-CD2 3.89Å; W25-H91 HydrophobicContact CG-CB 4.31Å; W25-H91 AromaticContact CG-CD2 3.36Å; E89-H91 PolarHBondContact O-N 3.5Å; H91-G93 WeakPolarHBondContact ND1-CA 3.38Å; H91-G93 PolarHBondContact ND1-N 2.8Å; H91-G93 PolarHBondContact O-N 3.44Å; H91-P151 HydrophobicContact CB-CG 4.28Å; H91-P151 PolarHBondContact CD2-O 3.02Å; H91-S152 PolarHBondContact CE1-O 3.12Å; H91-S152 VanDerWaalsContact CE1-O 3.23Å; H91-S152 PolarHBondContact ND1-O 3.27Å; H91-E154 HydrophobicContact CB-CB 4.21Å; H91-E154 HydrophobicContact CB-CG 3.83Å; H91-E154 PolarHBondContact N-OE2 3.31Å; H91-E154 PolarHBondContact O-N 3.21Å
92Y97Very high95.9Very high24 Ų2434.2 Ų34.29%0.09417%0.171CC..  trans-79.11.2-178.6-73-66.6000114.1F22 G24 E89 R90 G94 L95 P123 N188F22-Y92 HydrophobicContact CB-CD2 4.27Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD2 4.17Å; F22-Y92 AromaticContact CD1-CE1 3.98Å; F22-Y92 HydrophobicContact CD1-CE1 3.98Å; F22-Y92 HydrophobicContact CD1-CE2 4.43Å; F22-Y92 AromaticContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CE1-CD1 4.19Å; F22-Y92 HydrophobicContact CE1-CE1 4.26Å; F22-Y92 HydrophobicContact CG-CG 4.49Å; G24-Y92 VanDerWaalsContact CA-CD2 3.48Å; E89-Y92 HydrophobicContact CG-CE2 4.33Å; R90-Y92 PolarHBondContact O-N 2.64Å; Y92-G94 PolarHBondContact O-N 2.77Å; Y92-L95 WeakPolarHBondContact O-CB 3.34Å; Y92-L95 PolarHBondContact O-N 3.19Å; Y92-L95 VanDerWaalsContact O-N 3.09Å; Y92-P123 WeakPolarHBondContact O-CB 3.36Å; Y92-P123 WeakPolarHBondContact O-CG 3.5Å; Y92-N188 PolarHBondContact OH-ND2 3.5Å; Y92-N188 VanDerWaalsContact OH-ND2 3.1Å
93G96.9Very high95.5Very high0 Ų030 Ų300%015%0.152CC..G310 helixtrans58-133.5175.100000112.3H91 L95 T96 P124 M126 S152H91-G93 WeakPolarHBondContact ND1-CA 3.38Å; H91-G93 PolarHBondContact ND1-N 2.8Å; H91-G93 PolarHBondContact O-N 3.44Å; G93-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact O-N 3.08Å; G93-T96 VanDerWaalsContact O-CB 3.26Å; G93-T96 WeakPolarHBondContact O-CB 3.35Å; G93-T96 PolarHBondContact O-N 3.33Å; G93-T96 PolarHBondContact O-OG1 2.94Å; G93-P124 CarbonylContact C-O 3.59Å; G93-P124 WeakPolarHBondContact CA-O 3.35Å; G93-M126 VanDerWaalsContact O-CE 3.25Å; G93-M126 WeakPolarHBondContact O-CE 3.41Å; G93-S152 WeakPolarHBondContact CA-O 3.22Å
94G96.3Very high95Very high21 Ų2125.7 Ų25.722%0.21614%0.14CC..G310 helixtrans-66.5-3.8178.900000114.7Y92 P124 P125Y92-G94 PolarHBondContact O-N 2.77Å; G94-P124 PolarHBondContact N-O 2.66Å; G94-P125 PolarHBondContact N-O 2.8Å
95L95.6Very high94.3Very high5 Ų529.1 Ų29.13%0.02617%0.17CC..G310 helixtrans-84.6-14.2170.8-55.7-179.2000112.8F22 Y92 G93 G97 L98 T103 W115 P123F22-L95 HydrophobicContact CB-CB 4.42Å; F22-L95 VanDerWaalsContact CB-O 3.29Å; F22-L95 WeakPolarHBondContact CB-O 3.47Å; F22-L95 HydrophobicContact CD2-CB 4.07Å; F22-L95 HydrophobicContact CE1-CD1 4.33Å; F22-L95 HydrophobicContact CE2-CB 4.41Å; F22-L95 HydrophobicContact CE2-CD1 4.5Å; F22-L95 HydrophobicContact CG-CB 4.12Å; F22-L95 HydrophobicContact CZ-CD1 4.22Å; Y92-L95 WeakPolarHBondContact O-CB 3.34Å; Y92-L95 PolarHBondContact O-N 3.19Å; Y92-L95 VanDerWaalsContact O-N 3.09Å; G93-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact O-N 3.08Å; L95-G97 PolarHBondContact O-N 3.02Å; L95-L98 HydrophobicContact CD2-CD1 4.18Å; L95-L98 WeakPolarHBondContact O-CB 3.48Å; L95-L98 WeakPolarHBondContact O-CG 3.12Å; L95-L98 PolarHBondContact O-N 2.87Å; L95-L98 VanDerWaalsContact O-N 3.07Å; L95-T103 HydrophobicContact CD2-CG2 4.34Å; L95-W115 HydrophobicContact CD1-CB 3.9Å; L95-W115 HydrophobicContact CD1-CD2 4.02Å; L95-W115 HydrophobicContact CD1-CE3 3.81Å; L95-W115 HydrophobicContact CD1-CG 4.1Å; L95-W115 HydrophobicContact CD2-CE3 4.12Å; L95-W115 HydrophobicContact CD2-CZ3 4.11Å; L95-P123 HydrophobicContact CD1-CB 3.64Å; L95-P123 HydrophobicContact CG-CB 4.01Å
96T97.3Very high93.6Very high1 Ų135.6 Ų35.61%0.00620%0.199CC..THydrogen-bonded Turntrans-54.6126.2-177.1-58.30000111.2W16 F22 F26 G93 L98 M126 H130 I136W16-T96 HydrophobicContact CZ3-CG2 4.09Å; F22-T96 WeakPolarHBondContact O-CA 3.41Å; F26-T96 HydrophobicContact CB-CG2 4.09Å; G93-T96 VanDerWaalsContact O-CB 3.26Å; G93-T96 WeakPolarHBondContact O-CB 3.35Å; G93-T96 PolarHBondContact O-N 3.33Å; G93-T96 PolarHBondContact O-OG1 2.94Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 2.9Å; T96-M126 HydrophobicContact CG2-CE 4.01Å; T96-M126 WeakPolarHBondContact OG1-CE 3.49Å; T96-H130 PolarHBondContact O-CE1 2.87Å; T96-H130 VanDerWaalsContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 3.14Å; T96-I136 HydrophobicContact CG2-CD1 3.91Å
97G96.3Very high93Very high4 Ų436.9 Ų36.94%0.04121%0.207CC..THydrogen-bonded Turntrans90.8-20.5-179.500000114.9R21 F22 L95R21-G97 WeakPolarHBondContact CD-O 3.41Å; R21-G97 PolarHBondContact NH1-O 2.92Å; F22-G97 PolarHBondContact O-N 2.88Å; L95-G97 PolarHBondContact O-N 3.02Å
98L94.8Very high92.4Very high74 Ų7438.4 Ų38.439%0.38722%0.224SC..  trans-70.1143.3177.7-56.1-176.4000111.4R21 F22 L95 T96 T103R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.26Å; R21-L98 WeakPolarHBondContact CA-O 3.39Å; F22-L98 HydrophobicContact CD2-CB 4.42Å; F22-L98 WeakPolarHBondContact CD2-O 3.38Å; F22-L98 PolarHBondContact N-O 3Å; L95-L98 HydrophobicContact CD2-CD1 4.18Å; L95-L98 WeakPolarHBondContact O-CB 3.48Å; L95-L98 WeakPolarHBondContact O-CG 3.12Å; L95-L98 PolarHBondContact O-N 2.87Å; L95-L98 VanDerWaalsContact O-N 3.07Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 2.9Å; L98-T103 WeakPolarHBondContact CB-OG1 3.12Å
99N93.2Very high91.7Very high28 Ų2844.3 Ų44.315%0.1525%0.251CS..BIsolated β-bridgetrans-72.4134.2170.3-173-70.8000109.9E19 A101 E102 T103E19-N99 PolarHBondContact O-ND2 3.01Å; N99-A101 PolarHBondContact O-N 2.82Å; N99-A101 WeakPolarHBondContact OD1-CB 3.31Å; N99-A101 PolarHBondContact OD1-N 2.87Å; N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 3.92Å; N99-E102 VanDerWaalsContact CB-OE2 3.29Å; N99-E102 WeakPolarHBondContact CB-OE2 3.37Å; N99-E102 PolarHBondContact O-N 3.47Å; N99-E102 PolarHBondContact OD1-N 2.7Å; N99-T103 WeakPolarHBondContact O-CB 3.38Å; N99-T103 PolarHBondContact O-N 3Å; N99-T103 PolarHBondContact O-OG1 3.23Å
100K88Confident91.1Very high38 Ų3847.1 Ų47.117%0.16528%0.277CS..Hα-helixtrans-66-35.9-176.4-65.9172-170.9161.20112.9N20 R21 F22 A104N20-K100 WeakPolarHBondContact O-CG 3.14Å; N20-K100 PolarHBondContact O-N 3.31Å; R21-K100 WeakPolarHBondContact O-CE 3.13Å; F22-K100 HydrophobicContact CD1-CG 4.34Å; F22-K100 HydrophobicContact CD2-CG 3.77Å; F22-K100 HydrophobicContact CE1-CG 4.15Å; F22-K100 HydrophobicContact CE2-CB 4.18Å; F22-K100 HydrophobicContact CE2-CG 3.54Å; F22-K100 HydrophobicContact CG-CG 4.17Å; F22-K100 HydrophobicContact CZ-CB 4.46Å; F22-K100 HydrophobicContact CZ-CG 3.74Å; K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 2.72Å
101A86.9Confident90.6Very high60 Ų6050.4 Ų50.450%0.49629%0.292SS..Hα-helixtrans-71.8-43.9179.800000111N99 T103 A104 A105N99-A101 PolarHBondContact O-N 2.82Å; N99-A101 WeakPolarHBondContact OD1-CB 3.31Å; N99-A101 PolarHBondContact OD1-N 2.87Å; A101-T103 PolarHBondContact O-N 3.18Å; A101-A104 PolarHBondContact O-N 3.12Å; A101-A105 PolarHBondContact O-N 3.47Å
102E88.6Confident89.9Confident133 Ų13350.7 Ų50.762%0.62129%0.294SS*.Hα-helixtrans-64-41.4175.4-62.7170.8173.500111.4N99 A104 A105 K106N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 3.92Å; N99-E102 VanDerWaalsContact CB-OE2 3.29Å; N99-E102 WeakPolarHBondContact CB-OE2 3.37Å; N99-E102 PolarHBondContact O-N 3.47Å; N99-E102 PolarHBondContact OD1-N 2.7Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 2.89Å; E102-A105 PolarHBondContact O-N 3.03Å; E102-K106 PolarHBondContact O-N 3.05Å
103T89.1Confident89.2Confident6 Ų654.8 Ų54.84%0.03731%0.312CS..Hα-helixtrans-61.3-40.2174.7-52.80000110.9F22 L95 L98 N99 A101 K106 H107 V112 W115F22-T103 HydrophobicContact CE2-CG2 4.35Å; L95-T103 HydrophobicContact CD2-CG2 4.34Å; L98-T103 WeakPolarHBondContact CB-OG1 3.12Å; N99-T103 WeakPolarHBondContact O-CB 3.38Å; N99-T103 PolarHBondContact O-N 3Å; N99-T103 PolarHBondContact O-OG1 3.23Å; A101-T103 PolarHBondContact O-N 3.18Å; T103-K106 PolarHBondContact O-N 3.22Å; T103-H107 WeakPolarHBondContact O-CB 3.28Å; T103-H107 PolarHBondContact O-CD2 2.99Å; T103-H107 PolarHBondContact O-N 3.1Å; T103-V112 HydrophobicContact CG2-CG2 3.77Å; T103-W115 HydrophobicContact CG2-CZ3 4.19Å
104A87.9Confident88.7Confident20 Ų2057.8 Ų57.817%0.16533%0.328CS..Hα-helixtrans-68.1-37.6176.700000112.2K100 A101 E102 K106 G108 E109 V112K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 2.72Å; A101-A104 PolarHBondContact O-N 3.12Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 2.89Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å; A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.45Å; A104-G108 PolarHBondContact O-N 3.49Å; A104-E109 HydrophobicContact CB-CG 4.37Å; A104-V112 HydrophobicContact CB-CB 4.33Å; A104-V112 HydrophobicContact CB-CG2 4.09Å
105A84.4Confident88.1Confident89 Ų8958.1 Ų58.174%0.73632%0.322SS*.Hα-helixtrans-64.1-36.4173.900000112.2A101 E102A101-A105 PolarHBondContact O-N 3.47Å; E102-A105 PolarHBondContact O-N 3.03Å
106K85.4Confident87.3Confident168 Ų16861.4 Ų61.473%0.7333%0.334SS*.Hα-helixtrans-80.8-40.6-179.2-174.4176.5176.9-176.90113.9E102 T103 A104E102-K106 PolarHBondContact O-N 3.05Å; T103-K106 PolarHBondContact O-N 3.22Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å
107H85.3Confident86.5Confident85 Ų8562.1 Ų62.139%0.39434%0.337SS..Hα-helixtrans-110.7-4.5-170.9-63.7-77.7000114T103 Q111 W115T103-H107 WeakPolarHBondContact O-CB 3.28Å; T103-H107 PolarHBondContact O-CD2 2.99Å; T103-H107 PolarHBondContact O-N 3.1Å; H107-Q111 VanDerWaalsContact O-CB 3.32Å; H107-Q111 WeakPolarHBondContact O-CB 3.48Å; H107-W115 HydrophobicContact CB-CH2 4.07Å; H107-W115 HydrophobicContact CB-CZ3 3.95Å; H107-W115 AromaticContact CG-CH2 3.92Å; H107-W115 AromaticContact CG-CZ3 4Å
108G86.4Confident85.9Confident34 Ų3462.6 Ų62.635%0.35134%0.34SS..  trans85.6144.8-175.200000113.1A104 A110 Q111 V112A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.45Å; A104-G108 PolarHBondContact O-N 3.49Å; G108-A110 VanDerWaalsContact C-N 3.31Å; G108-A110 PolarHBondContact O-N 3.36Å; G108-Q111 PolarHBondContact O-N 2.84Å; G108-V112 PolarHBondContact O-N 3.12Å; G108-V112 VanDerWaalsContact O-N 3.17Å
109E83.3Confident85.7Confident124 Ų12460.2 Ų60.258%0.57933%0.326SS*.Hα-helixtrans-61.7-37.3-178.4-64.8-166.7157.500113.1A104 Q111 V112 K113A104-E109 HydrophobicContact CB-CG 4.37Å; E109-Q111 PolarHBondContact O-N 3.48Å; E109-V112 PolarHBondContact O-N 3.32Å; E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 PolarHBondContact O-N 3.14Å
110A86.3Confident85.7Confident74 Ų7463.4 Ų63.461%0.61234%0.343SS*.Hα-helixtrans-61.3-45.2179.100000111.4G108 K113 I114G108-A110 VanDerWaalsContact C-N 3.31Å; G108-A110 PolarHBondContact O-N 3.36Å; A110-K113 PolarHBondContact O-N 2.95Å; A110-I114 WeakPolarHBondContact O-CG1 3.21Å; A110-I114 PolarHBondContact O-N 2.94Å
111Q86.8Confident85.9Confident70 Ų7065.1 Ų65.133%0.32735%0.354SS..Hα-helixtrans-66.4-43.1178.9-172.159.547.800111.7H107 G108 E109 K113 I114 W115H107-Q111 VanDerWaalsContact O-CB 3.32Å; H107-Q111 WeakPolarHBondContact O-CB 3.48Å; G108-Q111 PolarHBondContact O-N 2.84Å; E109-Q111 PolarHBondContact O-N 3.48Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 3.11Å; Q111-I114 WeakPolarHBondContact O-CB 3.37Å; Q111-I114 PolarHBondContact O-N 3.19Å; Q111-W115 HydrophobicContact CG-CD2 4.14Å; Q111-W115 HydrophobicContact CG-CE3 4.17Å; Q111-W115 HydrophobicContact CG-CH2 3.62Å; Q111-W115 HydrophobicContact CG-CZ2 3.58Å; Q111-W115 HydrophobicContact CG-CZ3 3.92Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.13Å; Q111-W115 PolarHBondContact O-N 3.44Å
112V82.8Confident86.3Confident6 Ų664.9 Ų64.94%0.03635%0.347CS..Hα-helixtrans-66.4-35.5176.5173.10000111.6F22 T103 A104 G108 E109 I114 W115 R116F22-V112 HydrophobicContact CZ-CG1 4.21Å; T103-V112 HydrophobicContact CG2-CG2 3.77Å; A104-V112 HydrophobicContact CB-CB 4.33Å; A104-V112 HydrophobicContact CB-CG2 4.09Å; G108-V112 PolarHBondContact O-N 3.12Å; G108-V112 VanDerWaalsContact O-N 3.17Å; E109-V112 PolarHBondContact O-N 3.32Å; V112-I114 VanDerWaalsContact C-N 3.35Å; V112-W115 HydrophobicContact CG2-CE3 4.21Å; V112-W115 HydrophobicContact CG2-CZ3 4.31Å; V112-W115 PolarHBondContact O-N 3.34Å; V112-R116 HydrophobicContact CG1-CG 4.23Å; V112-R116 VanDerWaalsContact O-CB 3.27Å; V112-R116 WeakPolarHBondContact O-CB 3.32Å; V112-R116 VanDerWaalsContact O-CG 3.23Å; V112-R116 WeakPolarHBondContact O-CG 3.4Å; V112-R116 PolarHBondContact O-N 2.83Å
113K82.2Confident86.5Confident110 Ų11058.7 Ų58.748%0.47832%0.318SS..Hα-helixtrans-63.2-42.2172.6-171.7178179.1-177.10110.8E109 A110 Q111 R116 R117E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 PolarHBondContact O-N 3.14Å; A110-K113 PolarHBondContact O-N 2.95Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 3.11Å; K113-R116 PolarHBondContact O-N 3.49Å; K113-R117 WeakPolarHBondContact O-CB 3.26Å; K113-R117 PolarHBondContact O-N 2.64Å
114I85.1Confident86.8Confident64 Ų6461 Ų6133%0.32833%0.333SS..Hα-helixtrans-58.1-54.1173.6-70.3165.8000110.1A110 Q111 V112 R116 R117 S118 I121A110-I114 WeakPolarHBondContact O-CG1 3.21Å; A110-I114 PolarHBondContact O-N 2.94Å; Q111-I114 WeakPolarHBondContact O-CB 3.37Å; Q111-I114 PolarHBondContact O-N 3.19Å; V112-I114 VanDerWaalsContact C-N 3.35Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 2.77Å; I114-R117 PolarHBondContact O-N 3.23Å; I114-S118 WeakPolarHBondContact O-CA 3.34Å; I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 3.4Å; I114-I121 HydrophobicContact CG2-CB 4.03Å; I114-I121 HydrophobicContact CG2-CD1 3.69Å; I114-I121 HydrophobicContact CG2-CG1 4.45Å; I114-I121 HydrophobicContact CG2-CG2 3.87Å
115W84.9Confident87.3Confident28 Ų2863.9 Ų63.911%0.10635%0.35CS..Hα-helixtrans-62-32.9179.7-65.9-36.7000113.7R90 L95 T103 H107 Q111 V112 P123 P124R90-W115 VanDerWaalsContact CZ-O 3.26Å; R90-W115 PolarHBondContact NH1-O 3.22Å; R90-W115 VanDerWaalsContact NH1-O 3.12Å; R90-W115 PolarHBondContact NH2-O 2.93Å; L95-W115 HydrophobicContact CD1-CB 3.9Å; L95-W115 HydrophobicContact CD1-CD2 4.02Å; L95-W115 HydrophobicContact CD1-CE3 3.81Å; L95-W115 HydrophobicContact CD1-CG 4.1Å; L95-W115 HydrophobicContact CD2-CE3 4.12Å; L95-W115 HydrophobicContact CD2-CZ3 4.11Å; T103-W115 HydrophobicContact CG2-CZ3 4.19Å; H107-W115 HydrophobicContact CB-CH2 4.07Å; H107-W115 HydrophobicContact CB-CZ3 3.95Å; H107-W115 AromaticContact CG-CH2 3.92Å; H107-W115 AromaticContact CG-CZ3 4Å; Q111-W115 HydrophobicContact CG-CD2 4.14Å; Q111-W115 HydrophobicContact CG-CE3 4.17Å; Q111-W115 HydrophobicContact CG-CH2 3.62Å; Q111-W115 HydrophobicContact CG-CZ2 3.58Å; Q111-W115 HydrophobicContact CG-CZ3 3.92Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.13Å; Q111-W115 PolarHBondContact O-N 3.44Å; V112-W115 HydrophobicContact CG2-CE3 4.21Å; V112-W115 HydrophobicContact CG2-CZ3 4.31Å; V112-W115 PolarHBondContact O-N 3.34Å; W115-P123 HydrophobicContact CG-CB 4.5Å; W115-P124 HydrophobicContact CZ2-CG 4.26Å
116R79.1Confident87.9Confident73 Ų7360 Ų6028%0.27532%0.317SS..Hα-helixtrans-79.3-34.1-179.7-76.6179.165.4-153.2-3.6113.8F22 V112 K113 I114F22-R116 HydrophobicContact CE1-CG 3.63Å; F22-R116 HydrophobicContact CZ-CG 3.97Å; V112-R116 HydrophobicContact CG1-CG 4.23Å; V112-R116 VanDerWaalsContact O-CB 3.27Å; V112-R116 WeakPolarHBondContact O-CB 3.32Å; V112-R116 VanDerWaalsContact O-CG 3.23Å; V112-R116 WeakPolarHBondContact O-CG 3.4Å; V112-R116 PolarHBondContact O-N 2.83Å; K113-R116 PolarHBondContact O-N 3.49Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 2.77Å
117R79.1Confident88.4Confident16 Ų1656.4 Ų56.46%0.0631%0.306CS..Hα-helixtrans-124.7-22.5-166-65.5-167.6169.8-162.2-6.1114.5K113 I114 F119 M206 E207 N209K113-R117 WeakPolarHBondContact O-CB 3.26Å; K113-R117 PolarHBondContact O-N 2.64Å; I114-R117 PolarHBondContact O-N 3.23Å; R117-F119 PolarHBondContact O-N 2.93Å; R117-M206 WeakPolarHBondContact O-CG 3.41Å; R117-E207 IonicContact NH1-OE1 2.79Å; R117-E207 IonicContact NH1-OE2 3.76Å; R117-E207 PolarHBondContact NH1-OE2 3.34Å; R117-E207 VanDerWaalsContact NH1-OE2 3.14Å; R117-N209 PolarHBondContact NH2-OD1 3.11Å
118S85.6Confident88.9Confident14 Ų1456 Ų5610%0.09831%0.311CS..  trans-54.3137.3177.6179.90000110.5R90 I114 D120 I121R90-S118 PolarHBondContact NH1-O 3.08Å; I114-S118 WeakPolarHBondContact O-CA 3.34Å; I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 3.4Å; S118-D120 PolarHBondContact OG-N 3.44Å; S118-D120 PolarHBondContact OG-OD1 2.81Å; S118-I121 WeakPolarHBondContact OG-CB 3.25Å; S118-I121 WeakPolarHBondContact OG-CG1 3.24Å; S118-I121 PolarHBondContact OG-N 3.48Å
119F89.7Confident89.4Confident24 Ų2461.4 Ų61.411%0.10533%0.332CS..SBendtrans-66.8-48.5178.5-179.6-110.5000111R117 L156 K157 I160 K195 D202 I205 M206R117-F119 PolarHBondContact O-N 2.93Å; F119-L156 HydrophobicContact CD2-CB 4.41Å; F119-L156 HydrophobicContact CD2-CD2 4.11Å; F119-L156 HydrophobicContact CD2-CG 4.21Å; F119-L156 CarbonylContact O-C 3.6Å; F119-L156 PolarHBondContact O-N 3.11Å; F119-L156 VanDerWaalsContact O-N 3.12Å; F119-K157 HydrophobicContact CD1-CB 4.15Å; F119-K157 HydrophobicContact CD1-CD 4.49Å; F119-K157 HydrophobicContact CE1-CB 3.79Å; F119-K157 HydrophobicContact CE1-CD 3.93Å; F119-K157 HydrophobicContact CE1-CG 3.84Å; F119-K157 HydrophobicContact CE2-CB 4.28Å; F119-K157 HydrophobicContact CZ-CB 3.85Å; F119-K157 HydrophobicContact CZ-CG 3.98Å; F119-K157 WeakPolarHBondContact O-CB 3.28Å; F119-K157 PolarHBondContact O-N 3.2Å; F119-I160 HydrophobicContact CE2-CD1 3.71Å; F119-I160 HydrophobicContact CZ-CD1 4.49Å; F119-K195 HydrophobicContact CE2-CD 3.99Å; F119-D202 HydrophobicContact CB-CB 4.22Å; F119-D202 HydrophobicContact CD1-CB 3.86Å; F119-D202 VanDerWaalsContact CD1-CG 3.42Å; F119-D202 VanDerWaalsContact CD1-OD2 3.25Å; F119-D202 WeakPolarHBondContact CD1-OD2 3.4Å; F119-D202 HydrophobicContact CD2-CB 4.27Å; F119-D202 HydrophobicContact CE1-CB 4.29Å; F119-D202 WeakPolarHBondContact CE1-OD2 3.47Å; F119-D202 HydrophobicContact CG-CB 3.85Å; F119-D202 WeakPolarHBondContact CZ-OD1 3.1Å; F119-I205 HydrophobicContact CD2-CG2 4.12Å; F119-M206 HydrophobicContact CB-SD 4.39Å
120D93.2Very high90.1Very high95 Ų9557.4 Ų57.451%0.50831%0.313SS..SBendtrans-115.5-9.8-167.163.6-14.1000114.6S118 P122 K157S118-D120 PolarHBondContact OG-N 3.44Å; S118-D120 PolarHBondContact OG-OD1 2.81Å; D120-P122 VanDerWaalsContact O-CD 3.24Å; D120-P122 WeakPolarHBondContact O-CD 3.14Å; D120-K157 HydrophobicContact CB-CD 4.26Å
121I92.5Very high90.6Very high75 Ų7561 Ų6139%0.38532%0.322SS..  trans-89112.3177.7-59.3169.4000109.5R90 I114 S118R90-I121 PolarHBondContact NH2-O 3.23Å; I114-I121 HydrophobicContact CG2-CB 4.03Å; I114-I121 HydrophobicContact CG2-CD1 3.69Å; I114-I121 HydrophobicContact CG2-CG1 4.45Å; I114-I121 HydrophobicContact CG2-CG2 3.87Å; S118-I121 WeakPolarHBondContact OG-CB 3.25Å; S118-I121 WeakPolarHBondContact OG-CG1 3.24Å; S118-I121 PolarHBondContact OG-N 3.48Å
122P94.2Very high91.1Very high54 Ų5460.4 Ų60.435%0.35132%0.317SS..PPolyproline II helixtrans-73.3157.6174.632.1-35.4000111.2D120D120-P122 VanDerWaalsContact O-CD 3.24Å; D120-P122 WeakPolarHBondContact O-CD 3.14Å
123P94.4Very high91.8Very high4 Ų462.4 Ų62.43%0.02632%0.324CS..PPolyproline II helixtrans-70.1171.4164.833.2-32.8000110.4Y92 L95 W115 C153 E154Y92-P123 WeakPolarHBondContact O-CB 3.36Å; Y92-P123 WeakPolarHBondContact O-CG 3.5Å; L95-P123 HydrophobicContact CD1-CB 3.64Å; L95-P123 HydrophobicContact CG-CB 4.01Å; W115-P123 HydrophobicContact CG-CB 4.5Å; P123-C153 HydrophobicContact CG-CB 3.99Å; P123-E154 WeakPolarHBondContact CD-O 3.46Å
124P94.8Very high92.5Very high54 Ų5461.7 Ų61.735%0.35133%0.329SS..PPolyproline II helixtrans-53.9140.7170.8-25.335000111.8G93 G94 W115G93-P124 CarbonylContact C-O 3.59Å; G93-P124 WeakPolarHBondContact CA-O 3.35Å; G94-P124 PolarHBondContact N-O 2.66Å; W115-P124 HydrophobicContact CZ2-CG 4.26Å
125P96.9Very high93.1Very high80 Ų8063.1 Ų63.152%0.51934%0.337SS..PPolyproline II helixtrans-62.3151.9176.627.3-34.3000111.5G94 D127 S152G94-P125 PolarHBondContact N-O 2.8Å; P125-D127 PolarHBondContact O-N 3.02Å; P125-S152 WeakPolarHBondContact CB-OG 3.42Å
126M97.3Very high93.7Very high7 Ų762 Ų623%0.03433%0.333CS..PPolyproline II helixtrans-77.1117.8170.8-172.7175.3-73.700109.9G93 T96 H130 Y133 I136 S152G93-M126 VanDerWaalsContact O-CE 3.25Å; G93-M126 WeakPolarHBondContact O-CE 3.41Å; T96-M126 HydrophobicContact CG2-CE 4.01Å; T96-M126 WeakPolarHBondContact OG1-CE 3.49Å; M126-H130 HydrophobicContact CG-CB 3.76Å; M126-Y133 HydrophobicContact CG-CD2 4.11Å; M126-Y133 HydrophobicContact SD-CD2 4.27Å; M126-I136 HydrophobicContact CE-CD1 3.93Å; M126-I136 HydrophobicContact SD-CD1 4.46Å; M126-S152 WeakPolarHBondContact CB-O 3.28Å; M126-S152 PolarHBondContact N-O 2.76Å
127D96.2Very high94.4Very high93 Ų9359.3 Ų59.350%0.49733%0.325SS..PPolyproline II helixtrans-75.3149.1176-166.3-84000111.5P125 D129 H130 Y133P125-D127 PolarHBondContact O-N 3.02Å; D127-D129 PolarHBondContact O-N 3.33Å; D127-D129 VanDerWaalsContact O-N 3.17Å; D127-D129 PolarHBondContact OD1-N 2.93Å; D127-H130 WeakPolarHBondContact O-CB 3.41Å; D127-H130 PolarHBondContact O-N 2.74Å; D127-Y133 WeakPolarHBondContact O-CD2 3.43Å
128P95.9Very high95.2Very high77 Ų7765 Ų6550%0.535%0.35SS..THydrogen-bonded Turntrans-51.1-30.1171.7-30.137.5000115.6H130 Y133P128-H130 VanDerWaalsContact C-N 3.31Å; P128-Y133 HydrophobicContact CB-CD1 4.44Å; P128-Y133 HydrophobicContact CB-CE1 4.21Å; P128-Y133 HydrophobicContact CG-CE2 4.39Å; P128-Y133 WeakPolarHBondContact O-CD1 2.98Å
129D96.6Very high95.8Very high148 Ų14866.3 Ų66.379%0.79136%0.356SS*.THydrogen-bonded Turntrans-85.5-0.1179.9-67.8-19.2000113.3D127D127-D129 PolarHBondContact O-N 3.33Å; D127-D129 VanDerWaalsContact O-N 3.17Å; D127-D129 PolarHBondContact OD1-N 2.93Å
130H97.9Very high96.2Very high40 Ų4075.7 Ų75.719%0.18539%0.391CS..SBendtrans-67.1137.2178.5-174.3-88.1000111.6T96 M126 D127 P128 Y132 Y133T96-H130 PolarHBondContact O-CE1 2.87Å; T96-H130 VanDerWaalsContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 3.14Å; M126-H130 HydrophobicContact CG-CB 3.76Å; D127-H130 WeakPolarHBondContact O-CB 3.41Å; D127-H130 PolarHBondContact O-N 2.74Å; P128-H130 VanDerWaalsContact C-N 3.31Å; H130-Y132 AromaticContact CE1-CD2 3.63Å; H130-Y132 PolarHBondContact ND1-N 2.94Å; H130-Y132 PolarHBondContact O-N 3.25Å; H130-Y133 VanDerWaalsContact O-CB 3.27Å; H130-Y133 WeakPolarHBondContact O-CB 3.46Å; H130-Y133 PolarHBondContact O-N 3.24Å
131D97.4Very high96.4Very high150 Ų15075.2 Ų75.280%0.80238%0.382SS*.THydrogen-bonded Turntrans-48.9-33.7-175.5-67.1-18.1000114.4
132Y97.7Very high96.7Very high57 Ų5772.1 Ų72.122%0.22437%0.365CS..THydrogen-bonded Turntrans-99.5-0.8-178.3-60.4-78.4000114.7W16 F26 H130 I135 I136W16-Y132 HydrophobicContact CH2-CD1 4.11Å; W16-Y132 HydrophobicContact CH2-CD2 4.43Å; W16-Y132 AromaticContact CH2-CE1 3.64Å; W16-Y132 HydrophobicContact CH2-CE1 3.64Å; W16-Y132 AromaticContact CH2-CE2 3.98Å; W16-Y132 HydrophobicContact CH2-CE2 3.98Å; W16-Y132 HydrophobicContact CH2-CG 4.48Å; W16-Y132 AromaticContact CH2-CZ 3.56Å; W16-Y132 AromaticContact CZ2-CE1 3.74Å; W16-Y132 HydrophobicContact CZ2-CE1 3.74Å; W16-Y132 AromaticContact CZ2-CZ 3.71Å; F26-Y132 AromaticContact CD2-CD1 3.76Å; F26-Y132 HydrophobicContact CD2-CD1 3.76Å; F26-Y132 HydrophobicContact CD2-CE1 4.07Å; F26-Y132 AromaticContact CE2-CD1 3.93Å; F26-Y132 HydrophobicContact CE2-CD1 3.93Å; F26-Y132 AromaticContact CE2-CE1 3.9Å; F26-Y132 HydrophobicContact CE2-CE1 3.9Å; H130-Y132 AromaticContact CE1-CD2 3.63Å; H130-Y132 PolarHBondContact ND1-N 2.94Å; H130-Y132 PolarHBondContact O-N 3.25Å; Y132-I135 HydrophobicContact CD1-CD1 3.69Å; Y132-I135 HydrophobicContact CD1-CG1 4.37Å; Y132-I135 HydrophobicContact CE1-CD1 4.44Å; Y132-I135 WeakPolarHBondContact O-CG1 3.05Å; Y132-I136 WeakPolarHBondContact O-CB 3.35Å; Y132-I136 WeakPolarHBondContact O-CG1 3.33Å; Y132-I136 PolarHBondContact O-N 2.93Å
133Y97.6Very high96.8Very high48 Ų4873 Ų7319%0.18838%0.378CS..Hα-helixtrans-59.1-54.4-174.6177.3-94.2000111.8M126 D127 P128 H130 I135 I136 S137M126-Y133 HydrophobicContact CG-CD2 4.11Å; M126-Y133 HydrophobicContact SD-CD2 4.27Å; D127-Y133 WeakPolarHBondContact O-CD2 3.43Å; P128-Y133 HydrophobicContact CB-CD1 4.44Å; P128-Y133 HydrophobicContact CB-CE1 4.21Å; P128-Y133 HydrophobicContact CG-CE2 4.39Å; P128-Y133 WeakPolarHBondContact O-CD1 2.98Å; H130-Y133 VanDerWaalsContact O-CB 3.27Å; H130-Y133 WeakPolarHBondContact O-CB 3.46Å; H130-Y133 PolarHBondContact O-N 3.24Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.32Å; Y133-I136 PolarHBondContact O-N 3.03Å; Y133-S137 WeakPolarHBondContact CD2-OG 3.34Å; Y133-S137 WeakPolarHBondContact O-CB 3.44Å; Y133-S137 PolarHBondContact O-N 2.9Å; Y133-S137 PolarHBondContact O-OG 2.92Å
134T96.9Very high96.8Very high94 Ų9480.4 Ų80.458%0.57742%0.417SS*.Hα-helixtrans-61.2-43.1-176-60.30000112I136 K138T134-I136 VanDerWaalsContact C-N 3.26Å; T134-I136 PolarHBondContact O-N 3.41Å; T134-K138 HydrophobicContact CG2-CB 4.42Å; T134-K138 HydrophobicContact CG2-CG 4.46Å; T134-K138 WeakPolarHBondContact O-CA 3.34Å; T134-K138 VanDerWaalsContact O-CB 3.25Å; T134-K138 WeakPolarHBondContact O-CB 3.41Å; T134-K138 PolarHBondContact O-N 3.45Å; T134-K138 VanDerWaalsContact O-N 3.16Å
135I97.4Very high96.9Very high95 Ų9579.5 Ų79.549%0.48741%0.409SS..Hα-helixtrans-75.4-14.6-17768.1168.1000113.7F26 Y132 Y133F26-I135 HydrophobicContact CD2-CD1 3.93Å; F26-I135 HydrophobicContact CE2-CD1 3.71Å; Y132-I135 HydrophobicContact CD1-CD1 3.69Å; Y132-I135 HydrophobicContact CD1-CG1 4.37Å; Y132-I135 HydrophobicContact CE1-CD1 4.44Å; Y132-I135 WeakPolarHBondContact O-CG1 3.05Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.32Å
136I97.1Very high96.8Very high4 Ų478.8 Ų78.82%0.02140%0.403CS..Hα-helixtrans-100.3-65.1175.3-66.3169.4000109.4W25 F26 T96 M126 Y132 Y133 T134 K138 D139 Y142W25-I136 HydrophobicContact CB-CG2 3.75Å; W25-I136 HydrophobicContact CE3-CG2 4.42Å; F26-I136 HydrophobicContact CB-CD1 4.14Å; T96-I136 HydrophobicContact CG2-CD1 3.91Å; M126-I136 HydrophobicContact CE-CD1 3.93Å; M126-I136 HydrophobicContact SD-CD1 4.46Å; Y132-I136 WeakPolarHBondContact O-CB 3.35Å; Y132-I136 WeakPolarHBondContact O-CG1 3.33Å; Y132-I136 PolarHBondContact O-N 2.93Å; Y133-I136 PolarHBondContact O-N 3.03Å; T134-I136 VanDerWaalsContact C-N 3.26Å; T134-I136 PolarHBondContact O-N 3.41Å; I136-K138 VanDerWaalsContact C-N 3.28Å; I136-K138 PolarHBondContact O-N 3.19Å; I136-D139 PolarHBondContact O-N 3.2Å; I136-Y142 WeakPolarHBondContact O-CD2 3.27Å; I136-Y142 WeakPolarHBondContact O-CE2 3.18Å
137S94.2Very high96.3Very high16 Ų1687.3 Ų87.311%0.11244%0.443CS..Hα-helixtrans-73.4-16-169.9-51.70000113.7Y133Y133-S137 WeakPolarHBondContact CD2-OG 3.34Å; Y133-S137 WeakPolarHBondContact O-CB 3.44Å; Y133-S137 PolarHBondContact O-N 2.9Å; Y133-S137 PolarHBondContact O-OG 2.92Å
138K95.5Very high96Very high136 Ų13689.5 Ų89.559%0.59146%0.455SS*.THydrogen-bonded Turntrans-113.39.3176.3-50.4-64.8-179.8-173.60113.3T134 I136 R140T134-K138 HydrophobicContact CG2-CB 4.42Å; T134-K138 HydrophobicContact CG2-CG 4.46Å; T134-K138 WeakPolarHBondContact O-CA 3.34Å; T134-K138 VanDerWaalsContact O-CB 3.25Å; T134-K138 WeakPolarHBondContact O-CB 3.41Å; T134-K138 PolarHBondContact O-N 3.45Å; T134-K138 VanDerWaalsContact O-N 3.16Å; I136-K138 VanDerWaalsContact C-N 3.28Å; I136-K138 PolarHBondContact O-N 3.19Å; K138-R140 PolarHBondContact O-N 3.39Å
139D98Very high95.9Very high41 Ų4188.7 Ų88.722%0.21944%0.444CS..  trans-66.5134.1174.1-172.7-55.2000110.2I136 R141 Y142I136-D139 PolarHBondContact O-N 3.2Å; D139-R141 HydrophobicContact CB-CG 4.28Å; D139-R141 PolarHBondContact O-N 2.93Å; D139-R141 WeakPolarHBondContact OD1-CB 3.48Å; D139-R141 VanDerWaalsContact OD1-CG 3.28Å; D139-R141 WeakPolarHBondContact OD1-CG 3.32Å; D139-R141 IonicContact OD1-CZ 2.79Å; D139-R141 PolarHBondContact OD1-N 3.23Å; D139-R141 IonicContact OD1-NE 3.85Å; D139-R141 PolarHBondContact OD1-NE 3.2Å; D139-R141 IonicContact OD1-NH2 3.74Å; D139-R141 IonicContact OD2-CZ 3.41Å; D139-R141 IonicContact OD2-NE 3.53Å; D139-R141 PolarHBondContact OD2-NE 3.13Å; D139-R141 IonicContact OD2-NH2 3.89Å; D139-R141 PolarHBondContact OD2-NH2 3.18Å; D139-Y142 HydrophobicContact CB-CD2 4.15Å; D139-Y142 HydrophobicContact CB-CE2 4.38Å; D139-Y142 PolarHBondContact O-N 3.05Å
140R98Very high95.9Very high221 Ų22183.5 Ų83.583%0.83442%0.416SS*.G310 helixtrans-54.4-23.8-178.670.5179.7-178.690-0.3114.2K138 Y142 A143K138-R140 PolarHBondContact O-N 3.39Å; R140-Y142 PolarHBondContact O-N 2.96Å; R140-A143 VanDerWaalsContact O-CB 3.29Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.24Å; R140-A143 VanDerWaalsContact O-N 3.13Å
141R97.9Very high95.8Very high85 Ų8582.9 Ų82.932%0.32142%0.415SS..G310 helixtrans-64.6-15.6177.378.1-173.472.6-177.113113.2D27 V59 D139D27-R141 IonicContact OD1-NH1 3.23Å; D27-R141 IonicContact OD2-CZ 2.83Å; D27-R141 VanDerWaalsContact OD2-CZ 3.29Å; D27-R141 IonicContact OD2-NH1 3.4Å; D27-R141 PolarHBondContact OD2-NH1 3.05Å; D27-R141 IonicContact OD2-NH2 3.49Å; D27-R141 PolarHBondContact OD2-NH2 3.33Å; V59-R141 HydrophobicContact CG2-CG 4.34Å; V59-R141 PolarHBondContact O-NH1 2.92Å; D139-R141 HydrophobicContact CB-CG 4.28Å; D139-R141 PolarHBondContact O-N 2.93Å; D139-R141 WeakPolarHBondContact OD1-CB 3.48Å; D139-R141 VanDerWaalsContact OD1-CG 3.28Å; D139-R141 WeakPolarHBondContact OD1-CG 3.32Å; D139-R141 IonicContact OD1-CZ 2.79Å; D139-R141 PolarHBondContact OD1-N 3.23Å; D139-R141 IonicContact OD1-NE 3.85Å; D139-R141 PolarHBondContact OD1-NE 3.2Å; D139-R141 IonicContact OD1-NH2 3.74Å; D139-R141 IonicContact OD2-CZ 3.41Å; D139-R141 IonicContact OD2-NE 3.53Å; D139-R141 PolarHBondContact OD2-NE 3.13Å; D139-R141 IonicContact OD2-NH2 3.89Å; D139-R141 PolarHBondContact OD2-NH2 3.18Å
142Y98Very high95.8Very high10 Ų1078.4 Ų78.44%0.03940%0.396CS..G310 helixtrans-112.38.2177-51.8-60.3000112.7W25 V59 W85 N88 I136 D139 R140 D144 L145 L150W25-Y142 AromaticContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE2 4.02Å; W25-Y142 AromaticContact CE3-CZ 3.56Å; W25-Y142 HydrophobicContact CH2-CE1 4.36Å; W25-Y142 AromaticContact CZ3-CD1 3.93Å; W25-Y142 HydrophobicContact CZ3-CD1 3.93Å; W25-Y142 AromaticContact CZ3-CE1 3.54Å; W25-Y142 HydrophobicContact CZ3-CE1 3.54Å; W25-Y142 HydrophobicContact CZ3-CE2 4.28Å; W25-Y142 HydrophobicContact CZ3-CG 4.45Å; W25-Y142 AromaticContact CZ3-CZ 3.73Å; V59-Y142 HydrophobicContact CG2-CE1 3.6Å; W85-Y142 HydrophobicContact CB-CD1 4.28Å; W85-Y142 HydrophobicContact CB-CE1 3.97Å; N88-Y142 PolarHBondContact ND2-OH 2.79Å; I136-Y142 WeakPolarHBondContact O-CD2 3.27Å; I136-Y142 WeakPolarHBondContact O-CE2 3.18Å; D139-Y142 HydrophobicContact CB-CD2 4.15Å; D139-Y142 HydrophobicContact CB-CE2 4.38Å; D139-Y142 PolarHBondContact O-N 3.05Å; R140-Y142 PolarHBondContact O-N 2.96Å; Y142-D144 PolarHBondContact O-N 3.16Å; Y142-L145 HydrophobicContact CD1-CD1 3.83Å; Y142-L145 HydrophobicContact CG-CD1 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.47Å; Y142-L145 PolarHBondContact O-N 3.06Å; Y142-L150 HydrophobicContact CG-CD1 4.25Å
143A96.6Very high95.7Very high74 Ų7476.9 Ų76.961%0.61239%0.394SS*.THydrogen-bonded Turntrans-61.9-28.3-173.600000113.8R140 L145R140-A143 VanDerWaalsContact O-CB 3.29Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.24Å; R140-A143 VanDerWaalsContact O-N 3.13Å; A143-L145 VanDerWaalsContact C-N 3.33Å
144D95.4Very high95.7Very high159 Ų15974.8 Ų74.885%0.8539%0.385SS*.THydrogen-bonded Turntrans-88.2-0.5179-57.8-38000113.1Y142Y142-D144 PolarHBondContact O-N 3.16Å
145L95.7Very high95.6Very high35 Ų3570.3 Ų70.318%0.18336%0.358CS..  trans-83.5136.4176.9-57.9-171.2000110.6W85 Y142 A143 Q149 L150W85-L145 HydrophobicContact CB-CD1 4.39Å; W85-L145 HydrophobicContact CD2-CD1 3.92Å; W85-L145 HydrophobicContact CG-CD1 3.79Å; W85-L145 HydrophobicContact CG-CD2 4.34Å; Y142-L145 HydrophobicContact CD1-CD1 3.83Å; Y142-L145 HydrophobicContact CG-CD1 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.47Å; Y142-L145 PolarHBondContact O-N 3.06Å; A143-L145 VanDerWaalsContact C-N 3.33Å; L145-Q149 HydrophobicContact CB-CB 4.13Å; L145-Q149 HydrophobicContact CD2-CB 4.44Å; L145-L150 HydrophobicContact CB-CB 4.37Å; L145-L150 HydrophobicContact CD1-CD1 4.45Å
146T94.7Very high95.4Very high64 Ų6465.9 Ų65.939%0.39334%0.335SS..  trans-72.3164168.948.80000110.8D148 Q149 L150T146-D148 VanDerWaalsContact C-N 3.25Å; T146-D148 WeakPolarHBondContact CB-OD1 3.39Å; T146-D148 PolarHBondContact O-N 3.28Å; T146-D148 PolarHBondContact OG1-OD1 3.39Å; T146-Q149 PolarHBondContact O-N 2.82Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.45Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.5Å; T146-Q149 PolarHBondContact OG1-OE1 3.17Å; T146-L150 PolarHBondContact O-N 3.11Å; T146-L150 VanDerWaalsContact O-N 3.09Å
147E87.4Confident95.4Very high186 Ų18671 Ų7187%0.86936%0.357SS*.THydrogen-bonded Turntrans-60.9-34.3-179.3-170.1173.2-17600112.4Q149E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.74Å
148D89.8Confident95.5Very high140 Ų14073.5 Ų73.575%0.74937%0.369SS*.THydrogen-bonded Turntrans-73.9-20.2175.160.2-68.1000113.6T146T146-D148 VanDerWaalsContact C-N 3.25Å; T146-D148 WeakPolarHBondContact CB-OD1 3.39Å; T146-D148 PolarHBondContact O-N 3.28Å; T146-D148 PolarHBondContact OG1-OD1 3.39Å
149Q94.3Very high95.6Very high60 Ų6067 Ų6728%0.2834%0.341SS..THydrogen-bonded Turntrans-90.7-21.2177.5-72173.7-21.900113.5W85 L145 T146 E147 P151W85-Q149 HydrophobicContact CH2-CB 4.46Å; W85-Q149 WeakPolarHBondContact CH2-O 3.2Å; W85-Q149 HydrophobicContact CZ2-CB 4.09Å; W85-Q149 HydrophobicContact CZ2-CG 4.45Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.4Å; L145-Q149 HydrophobicContact CB-CB 4.13Å; L145-Q149 HydrophobicContact CD2-CB 4.44Å; T146-Q149 PolarHBondContact O-N 2.82Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.45Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.5Å; T146-Q149 PolarHBondContact OG1-OE1 3.17Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.74Å; Q149-P151 WeakPolarHBondContact O-CD 3.29Å
150L95.6Very high95.4Very high39 Ų3966 Ų6620%0.20434%0.336CS..SBendtrans-99.894-179.9-177.659.5000110.3W25 Y142 L145 T146W25-L150 HydrophobicContact CE3-CD1 4.25Å; W25-L150 HydrophobicContact CH2-CD1 4.13Å; W25-L150 HydrophobicContact CZ3-CD1 3.44Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.44Å; Y142-L150 HydrophobicContact CG-CD1 4.25Å; L145-L150 HydrophobicContact CB-CB 4.37Å; L145-L150 HydrophobicContact CD1-CD1 4.45Å; T146-L150 PolarHBondContact O-N 3.11Å; T146-L150 VanDerWaalsContact O-N 3.09Å
151P96.8Very high95.4Very high26 Ų2658.6 Ų58.617%0.16932%0.322CS..  trans-71.1137.6-175.129.5-36.1000112W25 H91 Q149 C153 E154W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.74Å; H91-P151 HydrophobicContact CB-CG 4.28Å; H91-P151 PolarHBondContact CD2-O 3.02Å; Q149-P151 WeakPolarHBondContact O-CD 3.29Å; P151-C153 VanDerWaalsContact C-N 3.34Å; P151-E154 HydrophobicContact CB-CG 3.68Å; P151-E154 HydrophobicContact CG-CG 3.71Å
152S96.7Very high95.3Very high57 Ų5755.3 Ų55.340%0.39931%0.309SS..SBendtrans-77.5-21.3166.761.80000112.5H91 G93 P125 M126H91-S152 PolarHBondContact CE1-O 3.12Å; H91-S152 VanDerWaalsContact CE1-O 3.23Å; H91-S152 PolarHBondContact ND1-O 3.27Å; G93-S152 WeakPolarHBondContact CA-O 3.22Å; P125-S152 WeakPolarHBondContact CB-OG 3.42Å; M126-S152 WeakPolarHBondContact CB-O 3.28Å; M126-S152 PolarHBondContact N-O 2.76Å
153C96.8Very high95.3Very high25 Ų2555 Ų5517%0.16931%0.309CS..SBendtrans-161.7159.5170.755.60000109.9P123 P151P123-C153 HydrophobicContact CG-CB 3.99Å; P151-C153 VanDerWaalsContact C-N 3.34Å
154E97.1Very high95.2Very high3 Ų353.6 Ų53.61%0.01429%0.291CS..  trans-133.1139.6175.8-68.2179.1113.200110.8R90 H91 P123 P151 D158 T159 R162R90-E154 HydrophobicContact CG-CB 4.06Å; R90-E154 WeakPolarHBondContact CG-O 3.45Å; R90-E154 PolarHBondContact NE-O 2.9Å; R90-E154 PolarHBondContact NH2-O 2.89Å; H91-E154 HydrophobicContact CB-CB 4.21Å; H91-E154 HydrophobicContact CB-CG 3.83Å; H91-E154 PolarHBondContact N-OE2 3.31Å; H91-E154 PolarHBondContact O-N 3.21Å; P123-E154 WeakPolarHBondContact CD-O 3.46Å; P151-E154 HydrophobicContact CB-CG 3.68Å; P151-E154 HydrophobicContact CG-CG 3.71Å; E154-D158 HydrophobicContact CB-CB 4.09Å; E154-D158 HydrophobicContact CG-CB 4.29Å; E154-T159 PolarHBondContact OE2-OG1 3.32Å; E154-R162 WeakPolarHBondContact OE1-CG 3.49Å; E154-R162 IonicContact OE1-CZ 3.5Å; E154-R162 IonicContact OE1-NE 2.62Å; E154-R162 PolarHBondContact OE1-NE 3.27Å; E154-R162 IonicContact OE1-NH2 3.8Å; E154-R162 PolarHBondContact OE1-NH2 3.45Å; E154-R162 IonicContact OE2-CZ 3.85Å; E154-R162 IonicContact OE2-NE 3.57Å; E154-R162 IonicContact OE2-NH2 3.02Å; E154-R162 PolarHBondContact OE2-NH2 3.19Å
155S95.4Very high95.3Very high1 Ų147.7 Ų47.71%0.00726%0.261CS..  trans-73.6172.2153.470.20000111K157 D158 T159S155-K157 WeakPolarHBondContact OG-CB 3.37Å; S155-K157 PolarHBondContact OG-N 3.19Å; S155-D158 VanDerWaalsContact CB-OD2 3.28Å; S155-D158 WeakPolarHBondContact CB-OD2 3.43Å; S155-D158 PolarHBondContact N-OD2 3.1Å; S155-D158 PolarHBondContact O-N 3.07Å; S155-D158 PolarHBondContact OG-N 3.45Å; S155-D158 PolarHBondContact OG-OD1 2.77Å; S155-D158 PolarHBondContact OG-OD2 2.95Å; S155-T159 PolarHBondContact O-N 3.47Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.28Å
156L93.1Very high95.4Very high1 Ų147.2 Ų47.21%0.00526%0.258CS..Hα-helixtrans-64.7-36.7170.5176.760.6000110.4F119 T159 I160 N188 R191 I205F119-L156 HydrophobicContact CD2-CB 4.41Å; F119-L156 HydrophobicContact CD2-CD2 4.11Å; F119-L156 HydrophobicContact CD2-CG 4.21Å; F119-L156 CarbonylContact O-C 3.6Å; F119-L156 PolarHBondContact O-N 3.11Å; F119-L156 VanDerWaalsContact O-N 3.12Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 3.29Å; L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.39Å; L156-I160 HydrophobicContact CG-CD1 3.92Å; L156-I160 WeakPolarHBondContact O-CD1 3.28Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.86Å; L156-N188 HydrophobicContact CD1-CB 3.89Å; L156-R191 HydrophobicContact CD1-CB 4.48Å; L156-I205 HydrophobicContact CD2-CG1 4.17Å; L156-I205 HydrophobicContact CD2-CG2 4.07Å
157K95.6Very high95.6Very high111 Ų11144.3 Ų44.348%0.48324%0.24SC..Hα-helixtrans-58.9-44.6174-176.7-178.4179.4-179.50111.8F119 D120 S155 I160 A161F119-K157 HydrophobicContact CD1-CB 4.15Å; F119-K157 HydrophobicContact CD1-CD 4.49Å; F119-K157 HydrophobicContact CE1-CB 3.79Å; F119-K157 HydrophobicContact CE1-CD 3.93Å; F119-K157 HydrophobicContact CE1-CG 3.84Å; F119-K157 HydrophobicContact CE2-CB 4.28Å; F119-K157 HydrophobicContact CZ-CB 3.85Å; F119-K157 HydrophobicContact CZ-CG 3.98Å; F119-K157 WeakPolarHBondContact O-CB 3.28Å; F119-K157 PolarHBondContact O-N 3.2Å; D120-K157 HydrophobicContact CB-CD 4.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.37Å; S155-K157 PolarHBondContact OG-N 3.19Å; K157-I160 WeakPolarHBondContact O-CB 3.41Å; K157-I160 PolarHBondContact O-N 3.37Å; K157-A161 WeakPolarHBondContact O-CB 3.43Å; K157-A161 PolarHBondContact O-N 3.01Å
158D96.9Very high96.1Very high69 Ų6939.2 Ų39.237%0.36922%0.219SC..Hα-helixtrans-66.2-44.8178.5-55.6-39.4000111.1E154 S155 I160 A161 R162E154-D158 HydrophobicContact CB-CB 4.09Å; E154-D158 HydrophobicContact CG-CB 4.29Å; S155-D158 VanDerWaalsContact CB-OD2 3.28Å; S155-D158 WeakPolarHBondContact CB-OD2 3.43Å; S155-D158 PolarHBondContact N-OD2 3.1Å; S155-D158 PolarHBondContact O-N 3.07Å; S155-D158 PolarHBondContact OG-N 3.45Å; S155-D158 PolarHBondContact OG-OD1 2.77Å; S155-D158 PolarHBondContact OG-OD2 2.95Å; D158-I160 VanDerWaalsContact C-N 3.26Å; D158-I160 PolarHBondContact O-N 3Å; D158-A161 WeakPolarHBondContact O-CB 3.47Å; D158-A161 PolarHBondContact O-N 3.1Å; D158-A161 VanDerWaalsContact O-N 3.09Å; D158-R162 WeakPolarHBondContact O-CG 3.27Å; D158-R162 PolarHBondContact O-N 3.3Å
159T96.7Very high96.5Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-55-43.4173.8-67.70000111.5R90 E154 S155 L156 A163 N188R90-T159 WeakPolarHBondContact CA-OG1 3.41Å; E154-T159 PolarHBondContact OE2-OG1 3.32Å; S155-T159 PolarHBondContact O-N 3.47Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.28Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 3.29Å; T159-A163 WeakPolarHBondContact O-CB 3.23Å; T159-A163 PolarHBondContact O-N 3.46Å; T159-N188 HydrophobicContact CG2-CB 4.4Å
160I95.2Very high96.7Very high21 Ų2140.1 Ų40.111%0.10822%0.218CC..Hα-helixtrans-65.8-45.9176-69.8166.7000111F119 L156 K157 D158 R162 A163 L164 G192 K195F119-I160 HydrophobicContact CE2-CD1 3.71Å; F119-I160 HydrophobicContact CZ-CD1 4.49Å; L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.39Å; L156-I160 HydrophobicContact CG-CD1 3.92Å; L156-I160 WeakPolarHBondContact O-CD1 3.28Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.86Å; K157-I160 WeakPolarHBondContact O-CB 3.41Å; K157-I160 PolarHBondContact O-N 3.37Å; D158-I160 VanDerWaalsContact C-N 3.26Å; D158-I160 PolarHBondContact O-N 3Å; I160-R162 PolarHBondContact O-N 3.4Å; I160-A163 PolarHBondContact O-N 3.26Å; I160-A163 VanDerWaalsContact O-N 3.15Å; I160-L164 VanDerWaalsContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CB 3.27Å; I160-L164 PolarHBondContact O-N 2.96Å; I160-G192 VanDerWaalsContact CG1-CA 3.41Å; I160-K195 HydrophobicContact CD1-CD 3.76Å
161A96.6Very high96.8Very high65 Ų6538.3 Ų38.354%0.53721%0.209SC..Hα-helixtrans-59.3-34.2-177.400000112.4K157 D158 P165K157-A161 WeakPolarHBondContact O-CB 3.43Å; K157-A161 PolarHBondContact O-N 3.01Å; D158-A161 WeakPolarHBondContact O-CB 3.47Å; D158-A161 PolarHBondContact O-N 3.1Å; D158-A161 VanDerWaalsContact O-N 3.09Å; A161-P165 WeakPolarHBondContact O-CD 3.45Å; A161-P165 VanDerWaalsContact O-CG 3.3Å; A161-P165 WeakPolarHBondContact O-CG 3.32Å
162R97.2Very high96.9Very high16 Ų1637.5 Ų37.56%0.0620%0.204CC..Hα-helixtrans-88.2-24.6174.760.782.6172.5152.5-1.9114.9W85 R86 N88 E89 E154 D158 I160W85-R162 HydrophobicContact CH2-CB 3.79Å; W85-R162 HydrophobicContact CH2-CG 4.17Å; W85-R162 HydrophobicContact CZ3-CB 3.99Å; W85-R162 HydrophobicContact CZ3-CG 3.83Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.41Å; R86-R162 WeakPolarHBondContact CD-O 3.32Å; R86-R162 WeakPolarHBondContact CG-O 3.3Å; R86-R162 PolarHBondContact NH1-O 3.38Å; R86-R162 PolarHBondContact O-NH1 3.01Å; N88-R162 PolarHBondContact O-NH1 2.92Å; N88-R162 PolarHBondContact O-NH2 2.85Å; E89-R162 PolarHBondContact O-NH2 3.22Å; E154-R162 WeakPolarHBondContact OE1-CG 3.49Å; E154-R162 IonicContact OE1-CZ 3.5Å; E154-R162 IonicContact OE1-NE 2.62Å; E154-R162 PolarHBondContact OE1-NE 3.27Å; E154-R162 IonicContact OE1-NH2 3.8Å; E154-R162 PolarHBondContact OE1-NH2 3.45Å; E154-R162 IonicContact OE2-CZ 3.85Å; E154-R162 IonicContact OE2-NE 3.57Å; E154-R162 IonicContact OE2-NH2 3.02Å; E154-R162 PolarHBondContact OE2-NH2 3.19Å; D158-R162 WeakPolarHBondContact O-CG 3.27Å; D158-R162 PolarHBondContact O-N 3.3Å; I160-R162 PolarHBondContact O-N 3.4Å
163A96.9Very high97Very high4 Ų437 Ų373%0.03320%0.199CC..Hα-helixtrans-80.4-37.3178.300000112.9R86 T159 I160 F166 W167R86-A163 WeakPolarHBondContact O-CA 3.32Å; R86-A163 WeakPolarHBondContact O-CB 3.41Å; T159-A163 WeakPolarHBondContact O-CB 3.23Å; T159-A163 PolarHBondContact O-N 3.46Å; I160-A163 PolarHBondContact O-N 3.26Å; I160-A163 VanDerWaalsContact O-N 3.15Å; A163-F166 WeakPolarHBondContact O-CB 3.47Å; A163-F166 PolarHBondContact O-N 3.43Å; A163-W167 PolarHBondContact O-N 2.97Å; A163-W167 VanDerWaalsContact O-N 3.1Å
164L96.2Very high97.1Very high43 Ų4337.6 Ų37.623%0.22520%0.2CC..Hα-helixtrans-67.9-36.2-173.2-169.161.5000114.4I160 F166 W167 N168 H196I160-L164 VanDerWaalsContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CB 3.27Å; I160-L164 PolarHBondContact O-N 2.96Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 2.87Å; L164-W167 HydrophobicContact CD1-CB 4.21Å; L164-W167 HydrophobicContact CD1-CG 4.21Å; L164-W167 WeakPolarHBondContact O-CB 3.45Å; L164-W167 PolarHBondContact O-N 3.39Å; L164-N168 PolarHBondContact O-N 2.9Å; L164-N168 PolarHBondContact O-ND2 3.03Å; L164-H196 HydrophobicContact CD1-CB 3.79Å
165P97.1Very high97.1Very high36 Ų3637.4 Ų37.423%0.23420%0.199CC..Hα-helixtrans-55.9-45.3170.3-28.436.6000112.2A161 W167 N168 E169A161-P165 WeakPolarHBondContact O-CD 3.45Å; A161-P165 VanDerWaalsContact O-CG 3.3Å; A161-P165 WeakPolarHBondContact O-CG 3.32Å; P165-W167 VanDerWaalsContact C-N 3.32Å; P165-W167 PolarHBondContact O-N 2.92Å; P165-N168 PolarHBondContact O-N 3.32Å; P165-N168 VanDerWaalsContact O-N 3.16Å; P165-E169 VanDerWaalsContact O-CB 3.29Å; P165-E169 WeakPolarHBondContact O-CB 3.5Å; P165-E169 WeakPolarHBondContact O-CG 3.29Å; P165-E169 PolarHBondContact O-N 3.46Å
166F98Very high97.2Very high25 Ų2542.8 Ų42.811%0.1122%0.222CC..Hα-helixtrans-63.2-38.8176.4-172.2-105.7000112.5Y56 T84 R86 L87 A163 L164 E170 I171Y56-F166 AromaticContact CD1-CE1 3.61Å; Y56-F166 HydrophobicContact CD1-CE1 3.61Å; Y56-F166 AromaticContact CD1-CZ 3.58Å; Y56-F166 HydrophobicContact CD1-CZ 3.58Å; Y56-F166 HydrophobicContact CE1-CE1 4.03Å; Y56-F166 AromaticContact CE1-CZ 3.75Å; Y56-F166 HydrophobicContact CE1-CZ 3.75Å; Y56-F166 HydrophobicContact CG-CE1 4.36Å; T84-F166 HydrophobicContact CG2-CD1 3.71Å; T84-F166 HydrophobicContact CG2-CD2 4.01Å; T84-F166 HydrophobicContact CG2-CE1 3.43Å; T84-F166 VanDerWaalsContact CG2-CE1 3.43Å; T84-F166 HydrophobicContact CG2-CE2 3.73Å; T84-F166 HydrophobicContact CG2-CG 3.99Å; T84-F166 HydrophobicContact CG2-CZ 3.44Å; T84-F166 VanDerWaalsContact CG2-CZ 3.44Å; R86-F166 HydrophobicContact CB-CB 3.94Å; R86-F166 HydrophobicContact CB-CG 4.33Å; R86-F166 HydrophobicContact CG-CB 4.49Å; L87-F166 HydrophobicContact CD1-CD1 4.33Å; L87-F166 HydrophobicContact CD1-CE1 3.94Å; L87-F166 HydrophobicContact CD2-CD1 4.47Å; L87-F166 HydrophobicContact CG-CD1 4.15Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; A163-F166 WeakPolarHBondContact O-CB 3.47Å; A163-F166 PolarHBondContact O-N 3.43Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 2.87Å; F166-E170 HydrophobicContact CD2-CB 3.96Å; F166-E170 HydrophobicContact CD2-CG 3.68Å; F166-E170 HydrophobicContact CE2-CB 3.75Å; F166-E170 HydrophobicContact CE2-CG 3.59Å; F166-E170 HydrophobicContact CG-CB 4.45Å; F166-E170 HydrophobicContact CZ-CB 4.05Å; F166-E170 HydrophobicContact CZ-CG 4.37Å; F166-E170 WeakPolarHBondContact O-CB 3.4Å; F166-E170 PolarHBondContact O-N 3.25Å; F166-I171 HydrophobicContact CD1-CD1 3.63Å; F166-I171 HydrophobicContact CD1-CG1 4.11Å; F166-I171 HydrophobicContact CE1-CD1 3.68Å; F166-I171 HydrophobicContact CE1-CG1 3.88Å; F166-I171 PolarHBondContact O-N 3.25Å
167W98.1Very high97.5Very high2 Ų249 Ų491%0.00825%0.251CS..Iπ-helixtrans-59.4-49.3172.5167.8-91.3000111.8L6 A163 L164 P165 I171 A172 I175 I183 I193 H196 L197 L224L6-W167 HydrophobicContact CD2-CH2 3.57Å; L6-W167 HydrophobicContact CD2-CZ3 3.78Å; A163-W167 PolarHBondContact O-N 2.97Å; A163-W167 VanDerWaalsContact O-N 3.1Å; L164-W167 HydrophobicContact CD1-CB 4.21Å; L164-W167 HydrophobicContact CD1-CG 4.21Å; L164-W167 WeakPolarHBondContact O-CB 3.45Å; L164-W167 PolarHBondContact O-N 3.39Å; P165-W167 VanDerWaalsContact C-N 3.32Å; P165-W167 PolarHBondContact O-N 2.92Å; W167-I171 HydrophobicContact CD2-CG2 4.5Å; W167-I171 HydrophobicContact CE3-CB 4.04Å; W167-I171 HydrophobicContact CE3-CD1 4.15Å; W167-I171 HydrophobicContact CE3-CG2 3.69Å; W167-I171 HydrophobicContact CH2-CG2 4.43Å; W167-I171 HydrophobicContact CZ3-CG2 3.66Å; W167-I171 PolarHBondContact O-N 3.3Å; W167-A172 VanDerWaalsContact O-CB 3.22Å; W167-A172 WeakPolarHBondContact O-CB 3.41Å; W167-A172 PolarHBondContact O-N 3.49Å; W167-I175 HydrophobicContact CH2-CD1 3.75Å; W167-I175 HydrophobicContact CZ2-CD1 4.45Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; W167-I183 HydrophobicContact CE3-CD1 4.41Å; W167-I183 HydrophobicContact CZ3-CD1 4.09Å; W167-I193 HydrophobicContact CD2-CG2 4.34Å; W167-I193 HydrophobicContact CE3-CD1 4.37Å; W167-I193 HydrophobicContact CE3-CG1 4.4Å; W167-I193 HydrophobicContact CE3-CG2 3.73Å; W167-I193 HydrophobicContact CH2-CG2 4.3Å; W167-I193 HydrophobicContact CZ3-CG2 3.69Å; W167-H196 AromaticContact CD1-CD2 3.69Å; W167-H196 AromaticContact CD1-NE2 3.78Å; W167-H196 AromaticContact NE1-CD2 3.37Å; W167-H196 PolarHBondContact NE1-CD2 3.23Å; W167-H196 AromaticContact NE1-NE2 3.45Å; W167-H196 PolarHBondContact NE1-NE2 2.94Å; W167-L197 HydrophobicContact CH2-CD1 4.18Å; W167-L197 HydrophobicContact CH2-CD2 3.83Å; W167-L197 HydrophobicContact CH2-CG 4.3Å; W167-L197 HydrophobicContact CZ2-CD2 3.49Å; W167-L197 VanDerWaalsContact CZ2-CD2 3.49Å; W167-L197 HydrophobicContact CZ2-CG 4.2Å; W167-L224 HydrophobicContact CZ2-CD1 4.43Å
168N97.6Very high97.6Very high80 Ų8045.9 Ų45.943%0.42825%0.251SS..Iπ-helixtrans-70.3-39.7-175.5-72.3-31.2000113.3L164 P165 P173L164-N168 PolarHBondContact O-N 2.9Å; L164-N168 PolarHBondContact O-ND2 3.03Å; P165-N168 PolarHBondContact O-N 3.32Å; P165-N168 VanDerWaalsContact O-N 3.16Å; N168-P173 WeakPolarHBondContact O-CD 3.37Å
169E98Very high97.6Very high130 Ų13046 Ų4661%0.60725%0.248SC*.Iπ-helixtrans-88.3-34.5-171.7-66.7164.3-159.200112.1P165 P173P165-E169 VanDerWaalsContact O-CB 3.29Å; P165-E169 WeakPolarHBondContact O-CB 3.5Å; P165-E169 WeakPolarHBondContact O-CG 3.29Å; P165-E169 PolarHBondContact O-N 3.46Å; E169-P173 WeakPolarHBondContact O-CG 3.43Å
170E98.3Very high97.7Very high89 Ų8950.5 Ų50.542%0.41627%0.265SS..Iπ-helixtrans-112.4-51.2-173-62.3-62.215000112.9Y56 F166 Q174Y56-E170 PolarHBondContact OH-O 3.49Å; F166-E170 HydrophobicContact CD2-CB 3.96Å; F166-E170 HydrophobicContact CD2-CG 3.68Å; F166-E170 HydrophobicContact CE2-CB 3.75Å; F166-E170 HydrophobicContact CE2-CG 3.59Å; F166-E170 HydrophobicContact CG-CB 4.45Å; F166-E170 HydrophobicContact CZ-CB 4.05Å; F166-E170 HydrophobicContact CZ-CG 4.37Å; F166-E170 WeakPolarHBondContact O-CB 3.4Å; F166-E170 PolarHBondContact O-N 3.25Å; E170-Q174 WeakPolarHBondContact O-CG 3.47Å
171I98.5Very high97.9Very high1 Ų149.6 Ų49.61%0.00526%0.26CS..Iπ-helixtrans-79.7-52.1-170.7-63.2163.7000111.8Y56 F166 W167 Q174 I175 V181 I183Y56-I171 HydrophobicContact CD1-CG1 4.09Å; Y56-I171 HydrophobicContact CD2-CG1 3.89Å; Y56-I171 HydrophobicContact CE1-CG1 3.98Å; Y56-I171 HydrophobicContact CE2-CB 4.36Å; Y56-I171 HydrophobicContact CE2-CG1 3.78Å; Y56-I171 HydrophobicContact CE2-CG2 4.36Å; Y56-I171 HydrophobicContact CG-CD1 4.38Å; Y56-I171 HydrophobicContact CG-CG1 4.02Å; F166-I171 HydrophobicContact CD1-CD1 3.63Å; F166-I171 HydrophobicContact CD1-CG1 4.11Å; F166-I171 HydrophobicContact CE1-CD1 3.68Å; F166-I171 HydrophobicContact CE1-CG1 3.88Å; F166-I171 PolarHBondContact O-N 3.25Å; W167-I171 HydrophobicContact CD2-CG2 4.5Å; W167-I171 HydrophobicContact CE3-CB 4.04Å; W167-I171 HydrophobicContact CE3-CD1 4.15Å; W167-I171 HydrophobicContact CE3-CG2 3.69Å; W167-I171 HydrophobicContact CH2-CG2 4.43Å; W167-I171 HydrophobicContact CZ3-CG2 3.66Å; W167-I171 PolarHBondContact O-N 3.3Å; I171-Q174 WeakPolarHBondContact O-CB 3.31Å; I171-Q174 PolarHBondContact O-N 3.35Å; I171-Q174 VanDerWaalsContact O-N 3.1Å; I171-I175 HydrophobicContact CG2-CD1 3.8Å; I171-I175 HydrophobicContact CG2-CG1 4.32Å; I171-I175 PolarHBondContact O-N 3Å; I171-I175 VanDerWaalsContact O-N 3.12Å; I171-V181 HydrophobicContact CG2-CG1 4.34Å; I171-I183 HydrophobicContact CD1-CD1 3.85Å; I171-I183 HydrophobicContact CG2-CD1 4.04Å
172A98.4Very high98Very high8 Ų846.5 Ų46.57%0.06623%0.234CC..Hα-helixtrans-58.4-41-174.800000113.3W167 Q174 I175 K176 L224W167-A172 VanDerWaalsContact O-CB 3.22Å; W167-A172 WeakPolarHBondContact O-CB 3.41Å; W167-A172 PolarHBondContact O-N 3.49Å; A172-Q174 VanDerWaalsContact C-N 3.32Å; A172-Q174 PolarHBondContact O-N 2.82Å; A172-I175 PolarHBondContact O-N 2.91Å; A172-K176 WeakPolarHBondContact O-CG 3.48Å; A172-K176 PolarHBondContact O-N 3.27Å; A172-L224 HydrophobicContact CB-CD1 3.43Å; A172-L224 VanDerWaalsContact CB-CD1 3.43Å
173P98.6Very high98.1Very high46 Ų4645.7 Ų45.730%0.29923%0.232SC..Hα-helixtrans-62.3-37.8175.3-25.838.1000112.8N168 E169 K176 Q177N168-P173 WeakPolarHBondContact O-CD 3.37Å; E169-P173 WeakPolarHBondContact O-CG 3.43Å; P173-K176 PolarHBondContact O-N 2.95Å; P173-Q177 VanDerWaalsContact O-CG 3.31Å; P173-Q177 WeakPolarHBondContact O-CG 3.42Å; P173-Q177 PolarHBondContact O-N 3.32Å
174Q98.7Very high98.2Very high38 Ų3845.5 Ų45.518%0.17823%0.23CC..Hα-helixtrans-67.2-41.5178.8-57.9-65.8-35.600111.1L54 Y56 E170 I171 A172 K176 Q177 G178 K179L54-Q174 HydrophobicContact CD2-CB 3.99Å; L54-Q174 HydrophobicContact CD2-CG 3.69Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.1Å; E170-Q174 WeakPolarHBondContact O-CG 3.47Å; I171-Q174 WeakPolarHBondContact O-CB 3.31Å; I171-Q174 PolarHBondContact O-N 3.35Å; I171-Q174 VanDerWaalsContact O-N 3.1Å; A172-Q174 VanDerWaalsContact C-N 3.32Å; A172-Q174 PolarHBondContact O-N 2.82Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 2.95Å; Q174-Q177 WeakPolarHBondContact O-CB 3.32Å; Q174-Q177 PolarHBondContact O-N 3.44Å; Q174-G178 PolarHBondContact O-N 3.4Å; Q174-K179 HydrophobicContact CB-CB 4.5Å; Q174-K179 HydrophobicContact CB-CD 4.23Å; Q174-K179 WeakPolarHBondContact O-CB 3.36Å; Q174-K179 PolarHBondContact O-N 3.28Å; Q174-K179 VanDerWaalsContact O-N 3.14Å; Q174-K179 VanDerWaalsContact OE1-CD 3.28Å
175I98.5Very high98.3Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-61.3-44.8173.8-60.3171.5000110.2Y4 L6 W167 I171 A172 Q177 G178 V181 L224Y4-I175 HydrophobicContact CD1-CG2 4.3Å; Y4-I175 WeakPolarHBondContact CD1-O 3.44Å; Y4-I175 HydrophobicContact CD2-CG2 4.06Å; Y4-I175 VanDerWaalsContact CE1-O 3.3Å; Y4-I175 WeakPolarHBondContact CE1-O 3.34Å; Y4-I175 HydrophobicContact CG-CG2 3.74Å; L6-I175 HydrophobicContact CD1-CD1 4.11Å; L6-I175 HydrophobicContact CD2-CD1 4.27Å; W167-I175 HydrophobicContact CH2-CD1 3.75Å; W167-I175 HydrophobicContact CZ2-CD1 4.45Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; I171-I175 HydrophobicContact CG2-CD1 3.8Å; I171-I175 HydrophobicContact CG2-CG1 4.32Å; I171-I175 PolarHBondContact O-N 3Å; I171-I175 VanDerWaalsContact O-N 3.12Å; A172-I175 PolarHBondContact O-N 2.91Å; I175-Q177 PolarHBondContact O-N 3.28Å; I175-G178 WeakPolarHBondContact O-CA 3.39Å; I175-G178 PolarHBondContact O-N 3.29Å; I175-V181 HydrophobicContact CG1-CB 4.21Å; I175-V181 HydrophobicContact CG1-CG2 3.78Å; I175-L224 HydrophobicContact CB-CD2 4.13Å; I175-L224 HydrophobicContact CG2-CD2 3.55Å
176K98.1Very high98.4Very high113 Ų11341.8 Ų41.849%0.49121%0.208SC..Hα-helixtrans-64.2-26.5178.5-75.4-179.1176.1178.90113.6Y4 A172 P173 Q174 G178 L224Y4-K176 PolarHBondContact OH-O 3Å; A172-K176 WeakPolarHBondContact O-CG 3.48Å; A172-K176 PolarHBondContact O-N 3.27Å; P173-K176 PolarHBondContact O-N 2.95Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 2.95Å; K176-G178 PolarHBondContact O-N 3.13Å; K176-L224 HydrophobicContact CD-CD1 4.48Å; K176-L224 HydrophobicContact CG-CD1 4.21Å; K176-L224 HydrophobicContact CG-CD2 4.08Å; K176-L224 HydrophobicContact CG-CG 4.21Å
177Q98Very high98.2Very high132 Ų13241 Ų4162%0.61721%0.207SC*.THydrogen-bonded Turntrans-75.5-0.9170.8-70.517116.400113.4P173 Q174 I175P173-Q177 VanDerWaalsContact O-CG 3.31Å; P173-Q177 WeakPolarHBondContact O-CG 3.42Å; P173-Q177 PolarHBondContact O-N 3.32Å; Q174-Q177 WeakPolarHBondContact O-CB 3.32Å; Q174-Q177 PolarHBondContact O-N 3.44Å; I175-Q177 PolarHBondContact O-N 3.28Å
178G97.6Very high97.9Very high46 Ų4641.2 Ų41.247%0.47421%0.209SC..THydrogen-bonded Turntrans89.36.3178.600000114.4Q174 I175 K176Q174-G178 PolarHBondContact O-N 3.4Å; I175-G178 WeakPolarHBondContact O-CA 3.39Å; I175-G178 PolarHBondContact O-N 3.29Å; K176-G178 PolarHBondContact O-N 3.13Å
179K98.4Very high97.9Very high72 Ų7237.4 Ų37.431%0.31319%0.188SC..  trans-69.3138.1176.3-63.1-166.5-177.1175.20111D53 L54 Q174 V181D53-K179 HydrophobicContact CB-CB 4.14Å; D53-K179 HydrophobicContact CB-CD 4.48Å; D53-K179 HydrophobicContact CB-CG 4.32Å; L54-K179 HydrophobicContact CB-CD 4.44Å; L54-K179 HydrophobicContact CD2-CD 4.37Å; Q174-K179 HydrophobicContact CB-CB 4.5Å; Q174-K179 HydrophobicContact CB-CD 4.23Å; Q174-K179 WeakPolarHBondContact O-CB 3.36Å; Q174-K179 PolarHBondContact O-N 3.28Å; Q174-K179 VanDerWaalsContact O-N 3.14Å; Q174-K179 VanDerWaalsContact OE1-CD 3.28Å; K179-V181 HydrophobicContact CB-CG2 4.4Å
180R98.6Very high97.8Very high94 Ų9431.2 Ų31.236%0.35516%0.159SC..  trans-84.4110.6172.9-60.8165.7-64.8178.310.6108.2E51 F52 D53 L54E51-R180 VanDerWaalsContact CB-CZ 3.44Å; E51-R180 VanDerWaalsContact O-CB 3.25Å; E51-R180 WeakPolarHBondContact O-CB 3.48Å; E51-R180 VanDerWaalsContact O-CD 3.27Å; E51-R180 WeakPolarHBondContact O-CD 3.4Å; E51-R180 PolarHBondContact O-NE 3.12Å; E51-R180 IonicContact OE2-CZ 2.96Å; E51-R180 IonicContact OE2-NH1 3.86Å; E51-R180 PolarHBondContact OE2-NH1 3.41Å; E51-R180 IonicContact OE2-NH2 2.59Å; E51-R180 PolarHBondContact OE2-NH2 2.9Å; F52-R180 WeakPolarHBondContact CA-O 3.43Å; D53-R180 PolarHBondContact N-O 3.13Å; D53-R180 IonicContact OD1-CZ 3.98Å; D53-R180 IonicContact OD1-NE 3.29Å; D53-R180 PolarHBondContact OD1-NE 2.87Å; D53-R180 IonicContact OD1-NH2 3.02Å; D53-R180 PolarHBondContact OD1-NH2 3.38Å; D53-R180 WeakPolarHBondContact OD2-CB 3.25Å; D53-R180 IonicContact OD2-CZ 2.8Å; D53-R180 PolarHBondContact OD2-N 2.85Å; D53-R180 IonicContact OD2-NE 3.95Å; D53-R180 PolarHBondContact OD2-NE 2.74Å; D53-R180 IonicContact OD2-NH2 3.06Å; L54-R180 PolarHBondContact N-O 3.38Å
181V98.8Very high97.6Very high1 Ų127.6 Ų27.61%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-105.4135.5-170.9177.30000111.3L6 V7 L54 Y56 I171 I175 K179 I183L6-V181 HydrophobicContact CD1-CB 3.98Å; L6-V181 HydrophobicContact CD1-CG1 3.97Å; V7-V181 PolarHBondContact N-O 3.49Å; L54-V181 HydrophobicContact CB-CG2 4.49Å; L54-V181 WeakPolarHBondContact O-CA 3.42Å; Y56-V181 HydrophobicContact CD2-CG1 3.6Å; Y56-V181 HydrophobicContact CE2-CG1 3.76Å; I171-V181 HydrophobicContact CG2-CG1 4.34Å; I175-V181 HydrophobicContact CG1-CB 4.21Å; I175-V181 HydrophobicContact CG1-CG2 3.78Å; K179-V181 HydrophobicContact CB-CG2 4.4Å; V181-I183 HydrophobicContact CG1-CG1 3.94Å
182L98.9Very high97.3Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-111.9130.3166.8174.160.7000110.2V7 I9 F52 L54 C55 Y56 L67 V70V7-L182 HydrophobicContact CB-CD1 3.88Å; V7-L182 HydrophobicContact CG1-CD1 3.56Å; V7-L182 CarbonylContact O-C 3.58Å; V7-L182 WeakPolarHBondContact O-CA 3.49Å; I9-L182 HydrophobicContact CG2-CD1 4.03Å; F52-L182 HydrophobicContact CD1-CB 3.63Å; F52-L182 HydrophobicContact CD2-CB 4.28Å; F52-L182 HydrophobicContact CD2-CD2 4.23Å; F52-L182 HydrophobicContact CE1-CB 3.7Å; F52-L182 HydrophobicContact CE2-CB 4.34Å; F52-L182 HydrophobicContact CE2-CD2 4.05Å; F52-L182 HydrophobicContact CG-CB 3.92Å; F52-L182 HydrophobicContact CZ-CB 4.05Å; F52-L182 HydrophobicContact CZ-CD1 4.32Å; F52-L182 HydrophobicContact CZ-CD2 4.32Å; F52-L182 HydrophobicContact CZ-CG 4.47Å; L54-L182 PolarHBondContact O-N 3.4Å; L54-L182 VanDerWaalsContact O-N 3.13Å; C55-L182 CarbonylContact C-O 3.56Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 2.99Å; Y56-L182 PolarHBondContact N-O 3.44Å; L67-L182 HydrophobicContact CD1-CD2 3.48Å; L67-L182 VanDerWaalsContact CD1-CD2 3.48Å; L67-L182 HydrophobicContact CD1-CG 4.02Å; V70-L182 HydrophobicContact CG1-CD2 3.84Å
183I98.9Very high97.1Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-118.2112174.8-50.1-178.1000109.6L6 V7 L8 I9 Y56 L87 W167 I171 V181 A185 L190 I193L6-I183 HydrophobicContact CD1-CD1 4Å; L6-I183 HydrophobicContact CD1-CG1 4.1Å; V7-I183 PolarHBondContact O-N 3.28Å; L8-I183 CarbonylContact C-O 3.53Å; L8-I183 WeakPolarHBondContact CA-O 3.39Å; L8-I183 HydrophobicContact CD2-CB 3.76Å; L8-I183 HydrophobicContact CD2-CD1 3.64Å; L8-I183 HydrophobicContact CD2-CG1 3.91Å; I9-I183 PolarHBondContact N-O 3.41Å; Y56-I183 HydrophobicContact CD2-CG1 4.49Å; Y56-I183 WeakPolarHBondContact O-CA 3.39Å; L87-I183 HydrophobicContact CD1-CG2 4.11Å; L87-I183 HydrophobicContact CD2-CG2 4.49Å; W167-I183 HydrophobicContact CE3-CD1 4.41Å; W167-I183 HydrophobicContact CZ3-CD1 4.09Å; I171-I183 HydrophobicContact CD1-CD1 3.85Å; I171-I183 HydrophobicContact CG2-CD1 4.04Å; V181-I183 HydrophobicContact CG1-CG1 3.94Å; I183-A185 HydrophobicContact CG2-CB 4.27Å; I183-L190 HydrophobicContact CG2-CD2 4.11Å; I183-I193 HydrophobicContact CD1-CD1 4.22Å
184A98.9Very high97Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-100.6109172.800000110.2I9 Y56 T57 L67I9-A184 HydrophobicContact CG2-CB 3.68Å; I9-A184 CarbonylContact O-C 3.6Å; I9-A184 WeakPolarHBondContact O-CA 3.37Å; Y56-A184 PolarHBondContact O-N 3.18Å; T57-A184 WeakPolarHBondContact CA-O 3.25Å; T57-A184 VanDerWaalsContact CB-O 3.26Å; T57-A184 WeakPolarHBondContact CB-O 3.27Å; T57-A184 PolarHBondContact OG1-O 2.97Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.2Å; L67-A184 HydrophobicContact CG-CB 4.4Å
185A98.7Very high96.8Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-145.8-145.8-174.700000112.1I9 H11 L87 I183 L190I9-A185 PolarHBondContact O-N 3.38Å; H11-A185 PolarHBondContact CD2-O 3.04Å; H11-A185 PolarHBondContact N-O 2.95Å; L87-A185 HydrophobicContact CB-CB 4.47Å; I183-A185 HydrophobicContact CG2-CB 4.27Å; A185-L190 HydrophobicContact CB-CD1 4.46Å; A185-L190 HydrophobicContact CB-CD2 3.84Å; A185-L190 HydrophobicContact CB-CG 3.92Å
186H98.1Very high96.6Very high0 Ų029.1 Ų29.10%014%0.143CC..  trans-122.9172-167.9-54.4-89.1000112.1H11 S58 R62 L87 E89 N188 S189 L190H11-H186 AromaticContact CD2-CE1 3.66Å; H11-H186 AromaticContact CD2-CG 3.8Å; H11-H186 AromaticContact CD2-ND1 3Å; H11-H186 PolarHBondContact CD2-ND1 2.64Å; H11-H186 AromaticContact NE2-CE1 3.92Å; H11-H186 AromaticContact NE2-ND1 3.07Å; H11-H186 PolarHBondContact NE2-ND1 3.49Å; S58-H186 WeakPolarHBondContact CB-NE2 3.17Å; S58-H186 PolarHBondContact OG-NE2 2.89Å; R62-H186 PolarHBondContact NE-CE1 2.92Å; R62-H186 PolarHBondContact NE-ND1 3.41Å; L87-H186 PolarHBondContact O-CD2 3.09Å; L87-H186 VanDerWaalsContact O-CD2 3.31Å; E89-H186 HydrophobicContact CB-CB 3.68Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 3.27Å; E89-H186 WeakPolarHBondContact OE2-CB 3.25Å; H186-N188 PolarHBondContact O-N 2.8Å; H186-S189 PolarHBondContact N-OG 3.42Å; H186-L190 VanDerWaalsContact O-CB 3.24Å; H186-L190 WeakPolarHBondContact O-CB 3.38Å; H186-L190 VanDerWaalsContact O-CG 3.25Å; H186-L190 WeakPolarHBondContact O-CG 3.38Å; H186-L190 PolarHBondContact O-N 3.31Å
187G94.1Very high96.5Very high8 Ų824.2 Ų24.28%0.08212%0.123CC..Hα-helixtrans-58-54.1-175.100000112.4E89 R191E89-G187 PolarHBondContact OE2-N 3.06Å; G187-R191 WeakPolarHBondContact O-CB 3.25Å; G187-R191 WeakPolarHBondContact O-CG 3.26Å; G187-R191 PolarHBondContact O-N 3.31Å
188N93.4Very high96.3Very high8 Ų821.4 Ų21.44%0.04311%0.11CC..Hα-helixtrans-81-31.5-173.8-59.5-68.2000113.5E89 R90 Y92 L156 T159 H186 R191 G192E89-N188 WeakPolarHBondContact OE1-CB 3.34Å; E89-N188 PolarHBondContact OE1-N 2.9Å; E89-N188 PolarHBondContact OE1-ND2 2.69Å; R90-N188 HydrophobicContact CB-CB 3.85Å; Y92-N188 PolarHBondContact OH-ND2 3.5Å; Y92-N188 VanDerWaalsContact OH-ND2 3.1Å; L156-N188 HydrophobicContact CD1-CB 3.89Å; T159-N188 HydrophobicContact CG2-CB 4.4Å; H186-N188 PolarHBondContact O-N 2.8Å; N188-R191 WeakPolarHBondContact O-CB 3.48Å; N188-R191 PolarHBondContact O-N 3.33Å; N188-R191 PolarHBondContact OD1-NH1 2.75Å; N188-G192 PolarHBondContact O-N 2.89Å; N188-G192 VanDerWaalsContact O-N 3.09Å
189S95.8Very high96.1Very high0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-67.4-41.1174.251.80000111.9L87 N88 H186 G192 I193L87-S189 WeakPolarHBondContact O-CB 3.21Å; L87-S189 PolarHBondContact O-OG 3.49Å; N88-S189 WeakPolarHBondContact O-CB 3.48Å; N88-S189 PolarHBondContact O-OG 3.01Å; H186-S189 PolarHBondContact N-OG 3.42Å; S189-G192 PolarHBondContact O-N 2.98Å; S189-I193 PolarHBondContact O-N 3.47Å
190L97Very high95.9Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-69.3-38.6174.2-67.9-179.5000112.5L8 R10 I183 A185 H186 G192 I193 V194 L210L8-L190 HydrophobicContact CB-CD1 4.44Å; L8-L190 HydrophobicContact CB-CD2 4.16Å; L8-L190 HydrophobicContact CD1-CD2 4.42Å; L8-L190 HydrophobicContact CD2-CD2 4.29Å; R10-L190 HydrophobicContact CB-CD1 4.07Å; I183-L190 HydrophobicContact CG2-CD2 4.11Å; A185-L190 HydrophobicContact CB-CD1 4.46Å; A185-L190 HydrophobicContact CB-CD2 3.84Å; A185-L190 HydrophobicContact CB-CG 3.92Å; H186-L190 VanDerWaalsContact O-CB 3.24Å; H186-L190 WeakPolarHBondContact O-CB 3.38Å; H186-L190 VanDerWaalsContact O-CG 3.25Å; H186-L190 WeakPolarHBondContact O-CG 3.38Å; H186-L190 PolarHBondContact O-N 3.31Å; L190-G192 PolarHBondContact O-N 2.8Å; L190-I193 HydrophobicContact CD2-CD1 4.25Å; L190-I193 PolarHBondContact O-N 2.87Å; L190-I193 VanDerWaalsContact O-N 3.11Å; L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 2.85Å; L190-L210 HydrophobicContact CB-CD1 3.49Å; L190-L210 VanDerWaalsContact CB-CD1 3.49Å; L190-L210 HydrophobicContact CD1-CD1 4.46Å
191R93.4Very high95.7Very high13 Ų1318.7 Ų18.75%0.04911%0.114CC..Hα-helixtrans-51.8-39.7169.6-84.9169.4140.2-162.5-11.4111.5L156 G187 N188 V194 K195 I205 M206 L208 L210L156-R191 HydrophobicContact CD1-CB 4.48Å; G187-R191 WeakPolarHBondContact O-CB 3.25Å; G187-R191 WeakPolarHBondContact O-CG 3.26Å; G187-R191 PolarHBondContact O-N 3.31Å; N188-R191 WeakPolarHBondContact O-CB 3.48Å; N188-R191 PolarHBondContact O-N 3.33Å; N188-R191 PolarHBondContact OD1-NH1 2.75Å; R191-V194 PolarHBondContact O-N 3.45Å; R191-K195 WeakPolarHBondContact O-CB 3.46Å; R191-K195 PolarHBondContact O-N 3.09Å; R191-I205 HydrophobicContact CB-CD1 3.84Å; R191-I205 HydrophobicContact CB-CG1 4.16Å; R191-I205 HydrophobicContact CG-CD1 4.08Å; R191-I205 PolarHBondContact NH2-O 3.27Å; R191-I205 VanDerWaalsContact NH2-O 3.11Å; R191-I205 VanDerWaalsContact O-CD1 3.25Å; R191-I205 WeakPolarHBondContact O-CD1 3.28Å; R191-M206 VanDerWaalsContact NH2-C 3.33Å; R191-M206 PolarHBondContact NH2-O 2.74Å; R191-L208 HydrophobicContact CG-CD2 4.43Å; R191-L208 PolarHBondContact NE-O 3.16Å; R191-L208 PolarHBondContact NH2-O 2.99Å; R191-L210 HydrophobicContact CG-CD1 4.4Å
192G92.3Very high95.4Very high3 Ų321.5 Ų21.53%0.03113%0.129CC..Hα-helixtrans-62.3-45.7176.500000114.5I160 N188 S189 L190 K195 H196I160-G192 VanDerWaalsContact CG1-CA 3.41Å; N188-G192 PolarHBondContact O-N 2.89Å; N188-G192 VanDerWaalsContact O-N 3.09Å; S189-G192 PolarHBondContact O-N 2.98Å; L190-G192 PolarHBondContact O-N 2.8Å; G192-K195 PolarHBondContact O-N 3.06Å; G192-H196 PolarHBondContact O-N 3.02Å; G192-H196 VanDerWaalsContact O-N 3.15Å
193I95.6Very high94.9Very high3 Ų327.3 Ų27.32%0.01516%0.156CC..Hα-helixtrans-63-45175.2-64173000110.3L8 L87 W167 I183 S189 L190 H196 L197L8-I193 HydrophobicContact CD1-CG2 4.33Å; L87-I193 HydrophobicContact CD2-CD1 4.07Å; W167-I193 HydrophobicContact CD2-CG2 4.34Å; W167-I193 HydrophobicContact CE3-CD1 4.37Å; W167-I193 HydrophobicContact CE3-CG1 4.4Å; W167-I193 HydrophobicContact CE3-CG2 3.73Å; W167-I193 HydrophobicContact CH2-CG2 4.3Å; W167-I193 HydrophobicContact CZ3-CG2 3.69Å; I183-I193 HydrophobicContact CD1-CD1 4.22Å; S189-I193 PolarHBondContact O-N 3.47Å; L190-I193 HydrophobicContact CD2-CD1 4.25Å; L190-I193 PolarHBondContact O-N 2.87Å; L190-I193 VanDerWaalsContact O-N 3.11Å; I193-H196 PolarHBondContact O-N 2.79Å; I193-L197 HydrophobicContact CG2-CD1 3.85Å; I193-L197 HydrophobicContact CG2-CG 4.28Å; I193-L197 WeakPolarHBondContact O-CG 3.5Å; I193-L197 PolarHBondContact O-N 3.44Å
194V96.1Very high94.5Very high0 Ų029.3 Ų29.30%017%0.173CC..Hα-helixtrans-61.2-45.9177.8171.20000111.6L8 L190 R191 H196 L197 E198 M200 L208 Y218 M230L8-V194 HydrophobicContact CD1-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 2.85Å; R191-V194 PolarHBondContact O-N 3.45Å; V194-H196 PolarHBondContact O-N 2.75Å; V194-L197 PolarHBondContact O-N 3.04Å; V194-E198 HydrophobicContact CG1-CG 4.45Å; V194-E198 WeakPolarHBondContact O-CB 3.35Å; V194-E198 PolarHBondContact O-N 3.08Å; V194-M200 HydrophobicContact CG1-SD 3.91Å; V194-L208 HydrophobicContact CB-CD2 4.14Å; V194-L208 HydrophobicContact CG1-CD2 3.5Å; V194-Y218 VanDerWaalsContact CG1-OH 3.29Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.42Å; V194-Y218 HydrophobicContact CG2-CE2 4.22Å; V194-Y218 WeakPolarHBondContact CG2-OH 3.34Å; V194-M230 HydrophobicContact CG1-CE 3.81Å
195K94.7Very high94Very high36 Ų3629.3 Ų29.316%0.15717%0.173CC..Hα-helixtrans-54.7-43.4176.1-168.5-169.3-165.2-67.50111.2F119 I160 R191 G192 G199 M200 D202 I205F119-K195 HydrophobicContact CE2-CD 3.99Å; I160-K195 HydrophobicContact CD1-CD 3.76Å; R191-K195 WeakPolarHBondContact O-CB 3.46Å; R191-K195 PolarHBondContact O-N 3.09Å; G192-K195 PolarHBondContact O-N 3.06Å; K195-G199 WeakPolarHBondContact O-CA 3.41Å; K195-G199 PolarHBondContact O-N 3.08Å; K195-M200 HydrophobicContact CG-CB 4.01Å; K195-M200 PolarHBondContact NZ-O 2.79Å; K195-M200 PolarHBondContact O-N 3.2Å; K195-D202 WeakPolarHBondContact CE-OD1 3.23Å; K195-D202 IonicContact NZ-OD1 2.87Å; K195-D202 PolarHBondContact NZ-OD1 3.33Å; K195-I205 HydrophobicContact CB-CB 4.4Å; K195-I205 HydrophobicContact CB-CD1 3.96Å; K195-I205 HydrophobicContact CB-CG1 4Å; K195-I205 HydrophobicContact CD-CB 4.26Å; K195-I205 HydrophobicContact CD-CG1 4.38Å; K195-I205 HydrophobicContact CD-CG2 3.95Å; K195-I205 HydrophobicContact CG-CB 4.14Å; K195-I205 HydrophobicContact CG-CG1 4.26Å; K195-I205 HydrophobicContact CG-CG2 4.36Å
196H93.9Very high93.4Very high82 Ų8231.5 Ų31.538%0.3818%0.184SC..Hα-helixtrans-68.4-47.9179.2175.971.1000112.3L164 W167 G192 I193 V194 G199L164-H196 HydrophobicContact CD1-CB 3.79Å; W167-H196 AromaticContact CD1-CD2 3.69Å; W167-H196 AromaticContact CD1-NE2 3.78Å; W167-H196 AromaticContact NE1-CD2 3.37Å; W167-H196 PolarHBondContact NE1-CD2 3.23Å; W167-H196 AromaticContact NE1-NE2 3.45Å; W167-H196 PolarHBondContact NE1-NE2 2.94Å; G192-H196 PolarHBondContact O-N 3.02Å; G192-H196 VanDerWaalsContact O-N 3.15Å; I193-H196 PolarHBondContact O-N 2.79Å; V194-H196 PolarHBondContact O-N 2.75Å; H196-G199 PolarHBondContact O-N 3.36Å
197L94.6Very high92.9Very high11 Ų1136.8 Ų36.86%0.05821%0.208CC..Hα-helixtrans-61.3-47.6-180-75.1174.9000112.1L6 W167 I193 V194 Y218 L220 L224 P226L6-L197 HydrophobicContact CD2-CD1 4.08Å; W167-L197 HydrophobicContact CH2-CD1 4.18Å; W167-L197 HydrophobicContact CH2-CD2 3.83Å; W167-L197 HydrophobicContact CH2-CG 4.3Å; W167-L197 HydrophobicContact CZ2-CD2 3.49Å; W167-L197 VanDerWaalsContact CZ2-CD2 3.49Å; W167-L197 HydrophobicContact CZ2-CG 4.2Å; I193-L197 HydrophobicContact CG2-CD1 3.85Å; I193-L197 HydrophobicContact CG2-CG 4.28Å; I193-L197 WeakPolarHBondContact O-CG 3.5Å; I193-L197 PolarHBondContact O-N 3.44Å; V194-L197 PolarHBondContact O-N 3.04Å; L197-Y218 HydrophobicContact CD1-CD1 4.43Å; L197-Y218 HydrophobicContact CD1-CD2 4.32Å; L197-Y218 HydrophobicContact CD1-CE1 4.42Å; L197-Y218 HydrophobicContact CD1-CE2 4.34Å; L197-Y218 HydrophobicContact CD1-CG 4.35Å; L197-L220 HydrophobicContact CD2-CD1 4.38Å; L197-L220 HydrophobicContact CD2-CD2 4.14Å; L197-L224 VanDerWaalsContact CD2-O 3.3Å; L197-L224 WeakPolarHBondContact CD2-O 3.06Å; L197-P226 HydrophobicContact CB-CG 4.07Å; L197-P226 WeakPolarHBondContact O-CD 3.03Å
198E94.6Very high92.6Very high73 Ų7338 Ų3834%0.34121%0.213SC..Hα-helixtrans-87.9-5.3-175.6-66.9-165174.200113.5V194 M200 Y218 P226 M230V194-E198 HydrophobicContact CG1-CG 4.45Å; V194-E198 WeakPolarHBondContact O-CB 3.35Å; V194-E198 PolarHBondContact O-N 3.08Å; E198-M200 VanDerWaalsContact C-N 3.28Å; E198-M200 HydrophobicContact CB-CG 3.74Å; E198-M200 HydrophobicContact CB-SD 4.47Å; E198-M200 PolarHBondContact O-N 2.71Å; E198-Y218 HydrophobicContact CG-CE1 4.12Å; E198-Y218 PolarHBondContact OE1-OH 3.2Å; E198-Y218 VanDerWaalsContact OE1-OH 3.13Å; E198-P226 HydrophobicContact CG-CG 4.13Å; E198-M230 VanDerWaalsContact OE1-CE 3.27Å; E198-M230 WeakPolarHBondContact OE1-CE 3.35Å
199G93.4Very high92.2Very high67 Ų6738.9 Ų38.969%0.69122%0.217SC*.THydrogen-bonded Turntrans61.736.3-176.600000112.9K195 H196K195-G199 WeakPolarHBondContact O-CA 3.41Å; K195-G199 PolarHBondContact O-N 3.08Å; H196-G199 PolarHBondContact O-N 3.36Å
200M93.5Very high92Very high33 Ų3339 Ų3916%0.16322%0.218CC..  trans-69.7146-175-56.6178.276.900112V194 K195 E198 A204 I205 L208V194-M200 HydrophobicContact CG1-SD 3.91Å; K195-M200 HydrophobicContact CG-CB 4.01Å; K195-M200 PolarHBondContact NZ-O 2.79Å; K195-M200 PolarHBondContact O-N 3.2Å; E198-M200 VanDerWaalsContact C-N 3.28Å; E198-M200 HydrophobicContact CB-CG 3.74Å; E198-M200 HydrophobicContact CB-SD 4.47Å; E198-M200 PolarHBondContact O-N 2.71Å; M200-A204 HydrophobicContact CB-CB 4.3Å; M200-A204 HydrophobicContact CE-CB 3.79Å; M200-I205 HydrophobicContact CE-CD1 4.48Å; M200-I205 HydrophobicContact SD-CD1 3.86Å; M200-L208 HydrophobicContact CE-CB 4.31Å; M200-L208 HydrophobicContact CE-CD2 4.49Å; M200-L208 HydrophobicContact SD-CD2 4.23Å
201S94.6Very high91.8Very high55 Ų5539.2 Ų39.239%0.38522%0.22SC..  trans-66.9165.6168.387.60000111.5E203 A204 I205S201-E203 VanDerWaalsContact C-N 3.27Å; S201-E203 VanDerWaalsContact CB-OE2 3.26Å; S201-E203 WeakPolarHBondContact CB-OE2 3.37Å; S201-E203 PolarHBondContact O-N 2.95Å; S201-E203 PolarHBondContact OG-N 2.87Å; S201-E203 PolarHBondContact OG-OE2 3.24Å; S201-A204 PolarHBondContact O-N 3.36Å; S201-A204 PolarHBondContact OG-N 3.1Å; S201-I205 PolarHBondContact O-N 2.75Å
202D92.3Very high91.9Very high60 Ų6040 Ų4032%0.32123%0.226SC..Hα-helixtrans-66-34.7179-64.5-8000110.4F119 K195 I205 M206F119-D202 HydrophobicContact CB-CB 4.22Å; F119-D202 HydrophobicContact CD1-CB 3.86Å; F119-D202 VanDerWaalsContact CD1-CG 3.42Å; F119-D202 VanDerWaalsContact CD1-OD2 3.25Å; F119-D202 WeakPolarHBondContact CD1-OD2 3.4Å; F119-D202 HydrophobicContact CD2-CB 4.27Å; F119-D202 HydrophobicContact CE1-CB 4.29Å; F119-D202 WeakPolarHBondContact CE1-OD2 3.47Å; F119-D202 HydrophobicContact CG-CB 3.85Å; F119-D202 WeakPolarHBondContact CZ-OD1 3.1Å; K195-D202 WeakPolarHBondContact CE-OD1 3.23Å; K195-D202 IonicContact NZ-OD1 2.87Å; K195-D202 PolarHBondContact NZ-OD1 3.33Å; D202-I205 WeakPolarHBondContact O-CG2 3.29Å; D202-M206 VanDerWaalsContact O-CG 3.29Å; D202-M206 WeakPolarHBondContact O-CG 3.32Å; D202-M206 PolarHBondContact O-N 3.39Å
203E89.3Confident92.1Very high121 Ų12139.9 Ų39.957%0.56523%0.225SC*.Hα-helixtrans-67.6-45.5176.1-55.571.3-153.300112S201 I205 M206S201-E203 VanDerWaalsContact C-N 3.27Å; S201-E203 VanDerWaalsContact CB-OE2 3.26Å; S201-E203 WeakPolarHBondContact CB-OE2 3.37Å; S201-E203 PolarHBondContact O-N 2.95Å; S201-E203 PolarHBondContact OG-N 2.87Å; S201-E203 PolarHBondContact OG-OE2 3.24Å; E203-I205 VanDerWaalsContact C-N 3.32Å; E203-I205 PolarHBondContact O-N 3.19Å; E203-M206 HydrophobicContact CB-CE 4.45Å; E203-M206 PolarHBondContact O-N 3.22Å
204A89.9Confident92.2Very high42 Ų4240 Ų4035%0.34723%0.225SC..Hα-helixtrans-63.7-38.8-17800000111.8M200 S201 M206 E207 L208M200-A204 HydrophobicContact CB-CB 4.3Å; M200-A204 HydrophobicContact CE-CB 3.79Å; S201-A204 PolarHBondContact O-N 3.36Å; S201-A204 PolarHBondContact OG-N 3.1Å; A204-M206 VanDerWaalsContact C-N 3.3Å; A204-M206 PolarHBondContact O-N 2.91Å; A204-E207 PolarHBondContact O-N 3.19Å; A204-L208 PolarHBondContact O-N 3.45Å
205I89.6Confident92.3Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-69.8-28-179.6-167.361.7000112.8F119 L156 R191 K195 M200 S201 D202 E203 E207 L208F119-I205 HydrophobicContact CD2-CG2 4.12Å; L156-I205 HydrophobicContact CD2-CG1 4.17Å; L156-I205 HydrophobicContact CD2-CG2 4.07Å; R191-I205 HydrophobicContact CB-CD1 3.84Å; R191-I205 HydrophobicContact CB-CG1 4.16Å; R191-I205 HydrophobicContact CG-CD1 4.08Å; R191-I205 PolarHBondContact NH2-O 3.27Å; R191-I205 VanDerWaalsContact NH2-O 3.11Å; R191-I205 VanDerWaalsContact O-CD1 3.25Å; R191-I205 WeakPolarHBondContact O-CD1 3.28Å; K195-I205 HydrophobicContact CB-CB 4.4Å; K195-I205 HydrophobicContact CB-CD1 3.96Å; K195-I205 HydrophobicContact CB-CG1 4Å; K195-I205 HydrophobicContact CD-CB 4.26Å; K195-I205 HydrophobicContact CD-CG1 4.38Å; K195-I205 HydrophobicContact CD-CG2 3.95Å; K195-I205 HydrophobicContact CG-CB 4.14Å; K195-I205 HydrophobicContact CG-CG1 4.26Å; K195-I205 HydrophobicContact CG-CG2 4.36Å; M200-I205 HydrophobicContact CE-CD1 4.48Å; M200-I205 HydrophobicContact SD-CD1 3.86Å; S201-I205 PolarHBondContact O-N 2.75Å; D202-I205 WeakPolarHBondContact O-CG2 3.29Å; E203-I205 VanDerWaalsContact C-N 3.32Å; E203-I205 PolarHBondContact O-N 3.19Å; I205-E207 PolarHBondContact O-N 3.09Å; I205-L208 HydrophobicContact CD1-CB 4.29Å; I205-L208 HydrophobicContact CD1-CD2 3.7Å; I205-L208 PolarHBondContact O-N 3.4Å
206M86.3Confident92.4Very high47 Ų4738.3 Ų38.323%0.23222%0.218CC..Hα-helixtrans-64.6-27.2177.2-67.7-166.7-76.100112.7R117 F119 R191 D202 E203 A204R117-M206 WeakPolarHBondContact O-CG 3.41Å; F119-M206 HydrophobicContact CB-SD 4.39Å; R191-M206 VanDerWaalsContact NH2-C 3.33Å; R191-M206 PolarHBondContact NH2-O 2.74Å; D202-M206 VanDerWaalsContact O-CG 3.29Å; D202-M206 WeakPolarHBondContact O-CG 3.32Å; D202-M206 PolarHBondContact O-N 3.39Å; E203-M206 HydrophobicContact CB-CE 4.45Å; E203-M206 PolarHBondContact O-N 3.22Å; A204-M206 VanDerWaalsContact C-N 3.3Å; A204-M206 PolarHBondContact O-N 2.91Å
207E86.1Confident92.6Very high111 Ų11134.8 Ų34.852%0.51920%0.202SC..Hα-helixtrans-93.3-23-178.6-64.8-53.9143.200114.1R117 A204 I205 N209R117-E207 IonicContact NH1-OE1 2.79Å; R117-E207 IonicContact NH1-OE2 3.76Å; R117-E207 PolarHBondContact NH1-OE2 3.34Å; R117-E207 VanDerWaalsContact NH1-OE2 3.14Å; A204-E207 PolarHBondContact O-N 3.19Å; I205-E207 PolarHBondContact O-N 3.09Å; E207-N209 PolarHBondContact O-N 3.07Å; E207-N209 PolarHBondContact O-ND2 2.93Å
208L87.9Confident92.8Very high33 Ų3334.3 Ų34.317%0.17320%0.199CC..  trans-65.6115.4177.617569.2000111.1R191 V194 M200 A204 I205 L210 M230R191-L208 HydrophobicContact CG-CD2 4.43Å; R191-L208 PolarHBondContact NE-O 3.16Å; R191-L208 PolarHBondContact NH2-O 2.99Å; V194-L208 HydrophobicContact CB-CD2 4.14Å; V194-L208 HydrophobicContact CG1-CD2 3.5Å; M200-L208 HydrophobicContact CE-CB 4.31Å; M200-L208 HydrophobicContact CE-CD2 4.49Å; M200-L208 HydrophobicContact SD-CD2 4.23Å; A204-L208 PolarHBondContact O-N 3.45Å; I205-L208 HydrophobicContact CD1-CB 4.29Å; I205-L208 HydrophobicContact CD1-CD2 3.7Å; I205-L208 PolarHBondContact O-N 3.4Å; L208-L210 HydrophobicContact CD1-CD2 4.15Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CG-CD2 4.1Å; L208-M230 HydrophobicContact CD1-CE 4.17Å
209N85.8Confident93Very high26 Ų2632.5 Ų32.514%0.13919%0.191CC..  trans-110.3133.9167.8-48.9-91.5000109.9R117 E207 V246R117-N209 PolarHBondContact NH2-OD1 3.11Å; E207-N209 PolarHBondContact O-N 3.07Å; E207-N209 PolarHBondContact O-ND2 2.93Å; N209-V246 HydrophobicContact CB-CB 4.27Å; N209-V246 HydrophobicContact CB-CG1 3.7Å; N209-V246 HydrophobicContact CB-CG2 4.04Å; N209-V246 WeakPolarHBondContact O-CG1 3.28Å
210L90.9Very high93.2Very high3 Ų329.3 Ų29.32%0.01616%0.158CC..PPolyproline II helixtrans-93.7126.4179.1-59.6178.8000109.6R10 L190 R191 L208 I216 M230R10-L210 VanDerWaalsContact CD-O 3.32Å; R10-L210 WeakPolarHBondContact CD-O 3.26Å; R10-L210 PolarHBondContact NH1-O 3.17Å; L190-L210 HydrophobicContact CB-CD1 3.49Å; L190-L210 VanDerWaalsContact CB-CD1 3.49Å; L190-L210 HydrophobicContact CD1-CD1 4.46Å; R191-L210 HydrophobicContact CG-CD1 4.4Å; L208-L210 HydrophobicContact CD1-CD2 4.15Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CG-CD2 4.1Å; L210-I216 HydrophobicContact CB-CD1 4.47Å; L210-I216 HydrophobicContact CD1-CD1 4.38Å; L210-I216 HydrophobicContact CD2-CD1 3.83Å; L210-I216 HydrophobicContact CG-CD1 4.44Å; L210-M230 HydrophobicContact CD2-SD 4.46Å
211P93.3Very high93.4Very high5 Ų529.6 Ų29.63%0.03216%0.16CC..PPolyproline II helixtrans-65.1154.3177.727.4-34.2000111.8R10 I214 F232 A242 V246R10-P211 WeakPolarHBondContact CB-O 3.31Å; P211-I214 HydrophobicContact CB-CB 4.44Å; P211-I214 HydrophobicContact CB-CD1 4.07Å; P211-I214 HydrophobicContact CB-CG1 4.39Å; P211-I214 HydrophobicContact CG-CB 4.05Å; P211-I214 HydrophobicContact CG-CD1 4.18Å; P211-I214 HydrophobicContact CG-CG1 4.46Å; P211-F232 HydrophobicContact CG-CD1 3.99Å; P211-F232 HydrophobicContact CG-CE1 3.74Å; P211-F232 HydrophobicContact CG-CZ 4.47Å; P211-A242 HydrophobicContact CB-CB 3.79Å; P211-V246 HydrophobicContact CB-CG2 4.11Å
212T94.8Very high93.5Very high30 Ų3034.6 Ų34.618%0.18418%0.175CC..SBendtrans-79.1137.5176.743.40000111.1R10 H11 E37 I214R10-T212 HydrophobicContact CG-CG2 4.49Å; H11-T212 WeakPolarHBondContact O-CB 3.27Å; H11-T212 WeakPolarHBondContact O-CG2 3.32Å; E37-T212 PolarHBondContact OE1-OG1 2.84Å; E37-T212 WeakPolarHBondContact OE2-CB 3.45Å; E37-T212 PolarHBondContact OE2-OG1 2.88Å; T212-I214 PolarHBondContact O-N 3.08Å
213G96.4Very high93.7Very high0 Ų037.4 Ų37.40%019%0.19CC..SBendtrans64.86.7172.100000116.9R10 G41R10-G213 WeakPolarHBondContact O-CA 3.45Å; R10-G213 PolarHBondContact O-N 3.34Å; G41-G213 WeakPolarHBondContact CA-O 3.42Å
214I97.5Very high94.1Very high4 Ų432.3 Ų32.32%0.02117%0.167CC..  trans-97120.7175.2-63.3-172.8000109.2P211 T212 F232 T238 A242P211-I214 HydrophobicContact CB-CB 4.44Å; P211-I214 HydrophobicContact CB-CD1 4.07Å; P211-I214 HydrophobicContact CB-CG1 4.39Å; P211-I214 HydrophobicContact CG-CB 4.05Å; P211-I214 HydrophobicContact CG-CD1 4.18Å; P211-I214 HydrophobicContact CG-CG1 4.46Å; T212-I214 PolarHBondContact O-N 3.08Å; I214-F232 HydrophobicContact CG2-CB 3.83Å; I214-F232 HydrophobicContact CG2-CD1 3.9Å; I214-F232 HydrophobicContact CG2-CG 4.3Å; I214-T238 HydrophobicContact CD1-CG2 4.13Å; I214-A242 HydrophobicContact CD1-CB 3.19Å; I214-A242 HydrophobicContact CG1-CB 4.41Å
215P98.4Very high94.4Very high1 Ų136.8 Ų36.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-63.7137.8173.2-15.126.2000111.8V7 L8 I9 G41 L45 L233V7-P215 HydrophobicContact CG1-CB 3.89Å; L8-P215 CarbonylContact O-C 3.56Å; I9-P215 HydrophobicContact CD1-CG 4.24Å; G41-P215 WeakPolarHBondContact O-CG 3.48Å; L45-P215 HydrophobicContact CD1-CB 4.23Å; L45-P215 HydrophobicContact CD1-CG 4.01Å; L45-P215 HydrophobicContact CD2-CB 3.89Å; L45-P215 HydrophobicContact CD2-CG 4.2Å; L45-P215 HydrophobicContact CG-CB 4.01Å; L45-P215 HydrophobicContact CG-CG 3.77Å; P215-L233 HydrophobicContact CB-CB 4.17Å; P215-L233 HydrophobicContact CB-CD1 4.24Å; P215-L233 HydrophobicContact CB-CG 4.49Å; P215-L233 HydrophobicContact CG-CB 4.43Å; P215-L233 PolarHBondContact O-N 2.97Å
216I98.1Very high94.8Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-115.1112.6-179.5-51.7171.2000107.5V7 L8 L210 Y218 M230 Q231 F232V7-I216 WeakPolarHBondContact CA-O 3.38Å; L8-I216 HydrophobicContact CB-CB 4.27Å; L8-I216 PolarHBondContact N-O 2.62Å; L8-I216 PolarHBondContact O-N 3.28Å; L210-I216 HydrophobicContact CB-CD1 4.47Å; L210-I216 HydrophobicContact CD1-CD1 4.38Å; L210-I216 HydrophobicContact CD2-CD1 3.83Å; L210-I216 HydrophobicContact CG-CD1 4.44Å; I216-Y218 HydrophobicContact CG2-CD2 4.33Å; I216-Y218 HydrophobicContact CG2-CE2 3.99Å; I216-M230 HydrophobicContact CG2-CB 3.78Å; I216-M230 HydrophobicContact CG2-CG 3.99Å; I216-M230 HydrophobicContact CG2-SD 3.87Å; I216-Q231 CarbonylContact C-O 3.34Å; I216-Q231 WeakPolarHBondContact CA-O 3.08Å; I216-F232 HydrophobicContact CD1-CE1 4Å; I216-F232 HydrophobicContact CG1-CD1 3.85Å; I216-F232 HydrophobicContact CG1-CE1 3.73Å
217L98.1Very high95.3Very high8 Ų839.1 Ų39.14%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-88.5127.7177.1173.862.3000110.7K5 V7 F50 Q231 L233K5-L217 HydrophobicContact CB-CD1 4.2Å; K5-L217 HydrophobicContact CD-CD1 4.45Å; K5-L217 HydrophobicContact CG-CD1 4.32Å; V7-L217 HydrophobicContact CG2-CD1 4.37Å; F50-L217 HydrophobicContact CE1-CD1 3.89Å; F50-L217 HydrophobicContact CZ-CD1 3.66Å; F50-L217 HydrophobicContact CZ-CD2 3.96Å; F50-L217 HydrophobicContact CZ-CG 4.33Å; L217-Q231 HydrophobicContact CB-CB 4.31Å; L217-Q231 PolarHBondContact N-O 3.29Å; L217-Q231 PolarHBondContact O-N 2.85Å; L217-L233 HydrophobicContact CB-CD1 4.24Å; L217-L233 HydrophobicContact CB-CD2 4.27Å; L217-L233 HydrophobicContact CB-CG 4.25Å; L217-L233 HydrophobicContact CD2-CD2 4.39Å
218Y98.4Very high95.8Very high1 Ų137 Ų370%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-109134.7162.6-83.2-85.1000110.8K5 L6 L8 V194 L197 E198 I216 L220 P226 M230K5-Y218 WeakPolarHBondContact CA-O 3.43Å; L6-Y218 PolarHBondContact N-O 2.92Å; L6-Y218 PolarHBondContact O-N 3.17Å; L8-Y218 HydrophobicContact CD1-CD2 4.08Å; L8-Y218 HydrophobicContact CD1-CE2 3.82Å; L8-Y218 HydrophobicContact CG-CD2 4.39Å; V194-Y218 VanDerWaalsContact CG1-OH 3.29Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.42Å; V194-Y218 HydrophobicContact CG2-CE2 4.22Å; V194-Y218 WeakPolarHBondContact CG2-OH 3.34Å; L197-Y218 HydrophobicContact CD1-CD1 4.43Å; L197-Y218 HydrophobicContact CD1-CD2 4.32Å; L197-Y218 HydrophobicContact CD1-CE1 4.42Å; L197-Y218 HydrophobicContact CD1-CE2 4.34Å; L197-Y218 HydrophobicContact CD1-CG 4.35Å; E198-Y218 HydrophobicContact CG-CE1 4.12Å; E198-Y218 PolarHBondContact OE1-OH 3.2Å; E198-Y218 VanDerWaalsContact OE1-OH 3.13Å; I216-Y218 HydrophobicContact CG2-CD2 4.33Å; I216-Y218 HydrophobicContact CG2-CE2 3.99Å; Y218-L220 HydrophobicContact CD1-CD2 4.17Å; Y218-L220 HydrophobicContact CG-CD2 4.37Å; Y218-P226 HydrophobicContact CD1-CB 3.99Å; Y218-P226 HydrophobicContact CD1-CG 3.73Å; Y218-P226 HydrophobicContact CE1-CB 4.18Å; Y218-P226 HydrophobicContact CE1-CG 3.72Å; Y218-M230 HydrophobicContact CD1-CB 4.45Å; Y218-M230 HydrophobicContact CD2-CB 4.46Å; Y218-M230 HydrophobicContact CE1-CB 3.88Å; Y218-M230 HydrophobicContact CE2-CB 3.88Å; Y218-M230 VanDerWaalsContact OH-CE 3.32Å; Y218-M230 WeakPolarHBondContact OH-CE 3.36Å
219E98Very high96.1Very high35 Ų3540.4 Ų40.416%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-105.6121.8162.7-79176.1-148.300108.6A2 Y4 K5 P226 V227 K228A2-E219 HydrophobicContact CB-CB 3.92Å; A2-E219 HydrophobicContact CB-CG 4.27Å; Y4-E219 WeakPolarHBondContact O-CA 3.16Å; K5-E219 HydrophobicContact CG-CG 4.18Å; E219-P226 WeakPolarHBondContact O-CA 3.41Å; E219-V227 HydrophobicContact CB-CG2 3.83Å; E219-V227 WeakPolarHBondContact O-CG2 3.46Å; E219-V227 PolarHBondContact O-N 3.36Å; E219-K228 HydrophobicContact CB-CG 4.45Å; E219-K228 VanDerWaalsContact OE1-CE 3.23Å; E219-K228 WeakPolarHBondContact OE1-CE 3.15Å; E219-K228 IonicContact OE1-NZ 3.32Å; E219-K228 PolarHBondContact OE1-NZ 3.34Å; E219-K228 VanDerWaalsContact OE2-CE 3.23Å; E219-K228 WeakPolarHBondContact OE2-CE 3.27Å; E219-K228 IonicContact OE2-NZ 2.69Å; E219-K228 PolarHBondContact OE2-NZ 3.02Å
220L98.4Very high96.5Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-116.7145.5-169.8-54.4177.8000110.9A3 Y4 L6 L197 Y218 L224 K225 P226A3-L220 PolarHBondContact N-O 3.19Å; Y4-L220 PolarHBondContact N-O 2.91Å; Y4-L220 PolarHBondContact O-N 2.83Å; L6-L220 HydrophobicContact CB-CD1 4.18Å; L6-L220 HydrophobicContact CD2-CD1 4.23Å; L197-L220 HydrophobicContact CD2-CD1 4.38Å; L197-L220 HydrophobicContact CD2-CD2 4.14Å; Y218-L220 HydrophobicContact CD1-CD2 4.17Å; Y218-L220 HydrophobicContact CG-CD2 4.37Å; L220-L224 HydrophobicContact CD1-CB 4.43Å; L220-L224 HydrophobicContact CD1-CD2 4.25Å; L220-K225 CarbonylContact C-O 3.52Å; L220-K225 VanDerWaalsContact CA-O 3.31Å; L220-K225 WeakPolarHBondContact CA-O 3.25Å; L220-P226 HydrophobicContact CD2-CB 4.4Å; L220-P226 HydrophobicContact CD2-CG 3.98Å
221D97.7Very high96.7Very high40 Ų4044.2 Ų44.221%0.21423%0.226CC..  trans-78.3-177.7169.976.74.5000112.2Y4 N223 L224 K225 V227Y4-D221 VanDerWaalsContact CD2-O 3.27Å; Y4-D221 WeakPolarHBondContact CD2-O 3.37Å; Y4-D221 WeakPolarHBondContact CE2-O 3.12Å; D221-N223 PolarHBondContact O-N 3.26Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.29Å; D221-N223 VanDerWaalsContact OD1-CA 3.26Å; D221-N223 WeakPolarHBondContact OD1-CA 3.35Å; D221-N223 WeakPolarHBondContact OD1-CB 3.44Å; D221-N223 PolarHBondContact OD1-N 3.34Å; D221-L224 PolarHBondContact O-N 3.48Å; D221-L224 PolarHBondContact OD1-N 3.31Å; D221-L224 VanDerWaalsContact OD1-N 3.11Å; D221-K225 PolarHBondContact N-O 3.41Å; D221-K225 PolarHBondContact OD1-N 2.77Å; D221-V227 HydrophobicContact CB-CG1 3.72Å
222K97.3Very high96.8Very high159 Ų15946.2 Ų46.269%0.69123%0.234SC*.THydrogen-bonded Turntrans-60.4-20.7179-66.7-174.2179.1-177.20114A3A3-K222 HydrophobicContact CB-CG 3.94Å
223N95.9Very high96.8Very high120 Ų12046.1 Ų46.164%0.64223%0.233SC*.THydrogen-bonded Turntrans-979.8177.8-58.7-48.3000112.3D221 K225D221-N223 PolarHBondContact O-N 3.26Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.29Å; D221-N223 VanDerWaalsContact OD1-CA 3.26Å; D221-N223 WeakPolarHBondContact OD1-CA 3.35Å; D221-N223 WeakPolarHBondContact OD1-CB 3.44Å; D221-N223 PolarHBondContact OD1-N 3.34Å; N223-K225 HydrophobicContact CB-CG 4.49Å; N223-K225 PolarHBondContact O-N 3.22Å
224L97Very high96.7Very high14 Ų1448 Ų487%0.07325%0.252CS..SBendtrans62.525.4-175.5-52.4-178.3000114Y4 W167 A172 I175 K176 L197 L220 D221Y4-L224 HydrophobicContact CD2-CD2 3.69Å; Y4-L224 HydrophobicContact CE2-CD2 3.92Å; W167-L224 HydrophobicContact CZ2-CD1 4.43Å; A172-L224 HydrophobicContact CB-CD1 3.43Å; A172-L224 VanDerWaalsContact CB-CD1 3.43Å; I175-L224 HydrophobicContact CB-CD2 4.13Å; I175-L224 HydrophobicContact CG2-CD2 3.55Å; K176-L224 HydrophobicContact CD-CD1 4.48Å; K176-L224 HydrophobicContact CG-CD1 4.21Å; K176-L224 HydrophobicContact CG-CD2 4.08Å; K176-L224 HydrophobicContact CG-CG 4.21Å; L197-L224 VanDerWaalsContact CD2-O 3.3Å; L197-L224 WeakPolarHBondContact CD2-O 3.06Å; L220-L224 HydrophobicContact CD1-CB 4.43Å; L220-L224 HydrophobicContact CD1-CD2 4.25Å; D221-L224 PolarHBondContact O-N 3.48Å; D221-L224 PolarHBondContact OD1-N 3.31Å; D221-L224 VanDerWaalsContact OD1-N 3.11Å
225K97.2Very high96.3Very high135 Ų13551.6 Ų51.659%0.58727%0.271SS*.  trans-89.9136.2172.6-66.2-168.8174.7-172.30110.6L220 D221 N223 V227L220-K225 CarbonylContact C-O 3.52Å; L220-K225 VanDerWaalsContact CA-O 3.31Å; L220-K225 WeakPolarHBondContact CA-O 3.25Å; D221-K225 PolarHBondContact N-O 3.41Å; D221-K225 PolarHBondContact OD1-N 2.77Å; N223-K225 HydrophobicContact CB-CG 4.49Å; N223-K225 PolarHBondContact O-N 3.22Å; K225-V227 PolarHBondContact O-N 3.07Å
226P97.4Very high95.7Very high33 Ų3360.1 Ų60.121%0.21431%0.311CS..BIsolated β-bridgetrans-55.5129.6172.7-25.735.7000111.5L197 E198 Y218 E219 L220L197-P226 HydrophobicContact CB-CG 4.07Å; L197-P226 WeakPolarHBondContact O-CD 3.03Å; E198-P226 HydrophobicContact CG-CG 4.13Å; Y218-P226 HydrophobicContact CD1-CB 3.99Å; Y218-P226 HydrophobicContact CD1-CG 3.73Å; Y218-P226 HydrophobicContact CE1-CB 4.18Å; Y218-P226 HydrophobicContact CE1-CG 3.72Å; E219-P226 WeakPolarHBondContact O-CA 3.41Å; L220-P226 HydrophobicContact CD2-CB 4.4Å; L220-P226 HydrophobicContact CD2-CG 3.98Å
227V97.3Very high95.3Very high64 Ų6465 Ų6539%0.38833%0.334SS..SBendtrans-90.9-10.9175.7-60.40000112.8A2 E219 D221 K225A2-V227 HydrophobicContact CB-CG2 3.89Å; E219-V227 HydrophobicContact CB-CG2 3.83Å; E219-V227 WeakPolarHBondContact O-CG2 3.46Å; E219-V227 PolarHBondContact O-N 3.36Å; D221-V227 HydrophobicContact CB-CG1 3.72Å; K225-V227 PolarHBondContact O-N 3.07Å
228K95.8Very high94.8Very high66 Ų6665.9 Ų65.929%0.28734%0.339SS..SBendtrans-154.3164.9176.966.7-175.1-174.7-171.50109.7E219E219-K228 HydrophobicContact CB-CG 4.45Å; E219-K228 VanDerWaalsContact OE1-CE 3.23Å; E219-K228 WeakPolarHBondContact OE1-CE 3.15Å; E219-K228 IonicContact OE1-NZ 3.32Å; E219-K228 PolarHBondContact OE1-NZ 3.34Å; E219-K228 VanDerWaalsContact OE2-CE 3.23Å; E219-K228 WeakPolarHBondContact OE2-CE 3.27Å; E219-K228 IonicContact OE2-NZ 2.69Å; E219-K228 PolarHBondContact OE2-NZ 3.02Å
229P93.6Very high94.3Very high105 Ų10567.1 Ų67.168%0.68235%0.347SS*.  trans-56.5148.9175.5-24.735.1000112.2
230M94.5Very high93.8Very high31 Ų3171.4 Ų71.415%0.15336%0.362CS..  trans-55.1141.3174.479.3-17886.500111V194 E198 L208 L210 I216 Y218 F232V194-M230 HydrophobicContact CG1-CE 3.81Å; E198-M230 VanDerWaalsContact OE1-CE 3.27Å; E198-M230 WeakPolarHBondContact OE1-CE 3.35Å; L208-M230 HydrophobicContact CD1-CE 4.17Å; L210-M230 HydrophobicContact CD2-SD 4.46Å; I216-M230 HydrophobicContact CG2-CB 3.78Å; I216-M230 HydrophobicContact CG2-CG 3.99Å; I216-M230 HydrophobicContact CG2-SD 3.87Å; Y218-M230 HydrophobicContact CD1-CB 4.45Å; Y218-M230 HydrophobicContact CD2-CB 4.46Å; Y218-M230 HydrophobicContact CE1-CB 3.88Å; Y218-M230 HydrophobicContact CE2-CB 3.88Å; Y218-M230 VanDerWaalsContact OH-CE 3.32Å; Y218-M230 WeakPolarHBondContact OH-CE 3.36Å; M230-F232 HydrophobicContact CG-CZ 4.47Å; M230-F232 HydrophobicContact SD-CZ 4.15Å
231Q95.1Very high93.2Very high78 Ų7876.6 Ų76.636%0.36438%0.384SS..EExtended strand (participates in β ladder)trans-115.2129.7-177.7-60-176.3-46.300110.3I216 L217I216-Q231 CarbonylContact C-O 3.34Å; I216-Q231 WeakPolarHBondContact CA-O 3.08Å; L217-Q231 HydrophobicContact CB-CB 4.31Å; L217-Q231 PolarHBondContact N-O 3.29Å; L217-Q231 PolarHBondContact O-N 2.85Å
232F95.7Very high92.4Very high47 Ų4775.5 Ų75.521%0.20638%0.381CS..EExtended strand (participates in β ladder)trans-85.9127173.4-63.5-69.8000109.7P211 I214 I216 M230 V239 M243P211-F232 HydrophobicContact CG-CD1 3.99Å; P211-F232 HydrophobicContact CG-CE1 3.74Å; P211-F232 HydrophobicContact CG-CZ 4.47Å; I214-F232 HydrophobicContact CG2-CB 3.83Å; I214-F232 HydrophobicContact CG2-CD1 3.9Å; I214-F232 HydrophobicContact CG2-CG 4.3Å; I216-F232 HydrophobicContact CD1-CE1 4Å; I216-F232 HydrophobicContact CG1-CD1 3.85Å; I216-F232 HydrophobicContact CG1-CE1 3.73Å; M230-F232 HydrophobicContact CG-CZ 4.47Å; M230-F232 HydrophobicContact SD-CZ 4.15Å; F232-V239 HydrophobicContact CB-CG1 3.66Å; F232-V239 HydrophobicContact CB-CG2 4.1Å; F232-V239 HydrophobicContact CD2-CG1 4.39Å; F232-V239 HydrophobicContact CG-CG1 4.32Å; F232-M243 HydrophobicContact CD2-SD 3.91Å; F232-M243 HydrophobicContact CE2-CE 4.02Å; F232-M243 HydrophobicContact CE2-SD 3.41Å; F232-M243 WeakPolarHBondContact CE2-SD 3.39Å; F232-M243 HydrophobicContact CZ-SD 3.77Å
233L95.9Very high91.5Very high28 Ų2871.4 Ų71.415%0.14737%0.365CS..  trans-95.3132.9179.6-55.9-179.1000110.6A44 L45 F50 P215 L217A44-L233 HydrophobicContact CB-CB 4.42Å; L45-L233 HydrophobicContact CD2-CD1 3.7Å; F50-L233 HydrophobicContact CD2-CD1 4.18Å; F50-L233 HydrophobicContact CE2-CD1 3.59Å; F50-L233 HydrophobicContact CZ-CD1 4.13Å; P215-L233 HydrophobicContact CB-CB 4.17Å; P215-L233 HydrophobicContact CB-CD1 4.24Å; P215-L233 HydrophobicContact CB-CG 4.49Å; P215-L233 HydrophobicContact CG-CB 4.43Å; P215-L233 PolarHBondContact O-N 2.97Å; L217-L233 HydrophobicContact CB-CD1 4.24Å; L217-L233 HydrophobicContact CB-CD2 4.27Å; L217-L233 HydrophobicContact CB-CG 4.25Å; L217-L233 HydrophobicContact CD2-CD2 4.39Å
234G92.6Very high90.9Very high40 Ų4070.4 Ų70.441%0.41236%0.357SS..SBendtrans150.6177.1-179.400000111.2
235D89.7Confident90Very high79 Ų7972.2 Ų72.242%0.42237%0.374SS..  trans-64.6147.3170.667.493.9000110.8E237 T238 V239D235-E237 PolarHBondContact O-N 3.08Å; D235-E237 PolarHBondContact OD1-N 3.05Å; D235-T238 PolarHBondContact O-N 3.11Å; D235-T238 WeakPolarHBondContact OD1-CB 3.47Å; D235-T238 PolarHBondContact OD1-N 3.2Å; D235-T238 PolarHBondContact OD1-OG1 2.88Å; D235-T238 VanDerWaalsContact OD1-OG1 3.04Å; D235-T238 WeakPolarHBondContact OD2-CB 3.48Å; D235-T238 PolarHBondContact OD2-OG1 3.36Å; D235-V239 PolarHBondContact O-N 2.68Å
236E86.9Confident88.8Confident179 Ų17966.4 Ų66.484%0.83635%0.35SS*.Hα-helixtrans-57-36.9-173.8-67.3-174.5167.700112.6R240E236-R240 WeakPolarHBondContact O-CB 3.41Å; E236-R240 PolarHBondContact O-N 2.92Å
237E89.4Confident87.5Confident103 Ų10367.7 Ų67.748%0.48136%0.363SS..Hα-helixtrans-69.4-44.4-178.6-167.4-177.1170.800111.6D235 R240 K241D235-E237 PolarHBondContact O-N 3.08Å; D235-E237 PolarHBondContact OD1-N 3.05Å; E237-R240 PolarHBondContact O-N 3.23Å; E237-K241 HydrophobicContact CG-CD 4.28Å; E237-K241 WeakPolarHBondContact O-CB 3.35Å; E237-K241 WeakPolarHBondContact O-CG 3.26Å; E237-K241 PolarHBondContact O-N 3.41Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 2.7Å; E237-K241 PolarHBondContact OE1-NZ 2.98Å
238T87.2Confident86.4Confident26 Ų2667.3 Ų67.316%0.1637%0.367CS..Hα-helixtrans-59.7-49.4174.5-71.80000111.2R40 I214 D235 R240 K241 A242R40-T238 VanDerWaalsContact NE-CG2 3.31Å; I214-T238 HydrophobicContact CD1-CG2 4.13Å; D235-T238 PolarHBondContact O-N 3.11Å; D235-T238 WeakPolarHBondContact OD1-CB 3.47Å; D235-T238 PolarHBondContact OD1-N 3.2Å; D235-T238 PolarHBondContact OD1-OG1 2.88Å; D235-T238 VanDerWaalsContact OD1-OG1 3.04Å; D235-T238 WeakPolarHBondContact OD2-CB 3.48Å; D235-T238 PolarHBondContact OD2-OG1 3.36Å; T238-R240 PolarHBondContact O-N 2.79Å; T238-K241 PolarHBondContact O-N 3.46Å; T238-A242 VanDerWaalsContact O-CB 3.31Å; T238-A242 WeakPolarHBondContact O-CB 3.4Å; T238-A242 PolarHBondContact O-N 2.85Å
239V86.9Confident84.7Confident27 Ų2768.8 Ų68.816%0.16437%0.374CS..Hα-helixtrans-61.9-46.4-179.8173.90000110F232 D235 A242 M243F232-V239 HydrophobicContact CB-CG1 3.66Å; F232-V239 HydrophobicContact CB-CG2 4.1Å; F232-V239 HydrophobicContact CD2-CG1 4.39Å; F232-V239 HydrophobicContact CG-CG1 4.32Å; D235-V239 PolarHBondContact O-N 2.68Å; V239-A242 PolarHBondContact O-N 3.5Å; V239-M243 HydrophobicContact CG1-CG 4.35Å; V239-M243 WeakPolarHBondContact O-CB 3.35Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.43Å; V239-M243 PolarHBondContact O-N 3.26Å
240R87.9Confident82.5Confident126 Ų12665.4 Ų65.448%0.47536%0.359SS..Hα-helixtrans-58.4-51.2177.3-175-174.866.591.4-3.2111.9E236 E237 T238 A242 M243 E244E236-R240 WeakPolarHBondContact O-CB 3.41Å; E236-R240 PolarHBondContact O-N 2.92Å; E237-R240 PolarHBondContact O-N 3.23Å; T238-R240 PolarHBondContact O-N 2.79Å; R240-A242 VanDerWaalsContact C-N 3.3Å; R240-A242 PolarHBondContact O-N 3.43Å; R240-M243 PolarHBondContact O-N 2.84Å; R240-E244 WeakPolarHBondContact CG-OE1 3.23Å; R240-E244 IonicContact CZ-OE1 3.7Å; R240-E244 IonicContact NH1-OE1 2.77Å; R240-E244 PolarHBondContact NH1-OE1 2.99Å; R240-E244 IonicContact NH1-OE2 3.6Å; R240-E244 PolarHBondContact NH1-OE2 3Å; R240-E244 WeakPolarHBondContact O-CG 3.2Å; R240-E244 PolarHBondContact O-N 3.31Å
241K87.2Confident80.4Confident108 Ų10871.6 Ų71.647%0.4739%0.385SS..Hα-helixtrans-60-40.7179.5-77.4178.1-178.5168.10112E237 T238 E244 A245E237-K241 HydrophobicContact CG-CD 4.28Å; E237-K241 WeakPolarHBondContact O-CB 3.35Å; E237-K241 WeakPolarHBondContact O-CG 3.26Å; E237-K241 PolarHBondContact O-N 3.41Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 2.7Å; E237-K241 PolarHBondContact OE1-NZ 2.98Å; T238-K241 PolarHBondContact O-N 3.46Å; K241-E244 PolarHBondContact O-N 3.29Å; K241-A245 WeakPolarHBondContact O-CB 3.45Å; K241-A245 PolarHBondContact O-N 3.02Å
242A80.3Confident77.8Confident18 Ų1870.9 Ų70.915%0.14939%0.392CS..Hα-helixtrans-68.7-39179.200000112.1P211 I214 T238 V239 R240 A245 V246P211-A242 HydrophobicContact CB-CB 3.79Å; I214-A242 HydrophobicContact CD1-CB 3.19Å; I214-A242 HydrophobicContact CG1-CB 4.41Å; T238-A242 VanDerWaalsContact O-CB 3.31Å; T238-A242 WeakPolarHBondContact O-CB 3.4Å; T238-A242 PolarHBondContact O-N 2.85Å; V239-A242 PolarHBondContact O-N 3.5Å; R240-A242 VanDerWaalsContact C-N 3.3Å; R240-A242 PolarHBondContact O-N 3.43Å; A242-A245 PolarHBondContact O-N 3.47Å; A242-V246 VanDerWaalsContact O-CB 3.32Å; A242-V246 WeakPolarHBondContact O-CB 3.49Å; A242-V246 WeakPolarHBondContact O-CG2 3.35Å; A242-V246 PolarHBondContact O-N 3.29Å
243M79Confident75.1Confident73 Ų7378.3 Ų78.336%0.3642%0.424SS..Hα-helixtrans-64.7-40.2173.2-70.7-56.5-63.600112.1F232 V239 R240 V246 A247F232-M243 HydrophobicContact CD2-SD 3.91Å; F232-M243 HydrophobicContact CE2-CE 4.02Å; F232-M243 HydrophobicContact CE2-SD 3.41Å; F232-M243 WeakPolarHBondContact CE2-SD 3.39Å; F232-M243 HydrophobicContact CZ-SD 3.77Å; V239-M243 HydrophobicContact CG1-CG 4.35Å; V239-M243 WeakPolarHBondContact O-CB 3.35Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.43Å; V239-M243 PolarHBondContact O-N 3.26Å; R240-M243 PolarHBondContact O-N 2.84Å; M243-V246 WeakPolarHBondContact O-CB 3.35Å; M243-V246 PolarHBondContact O-N 3.17Å; M243-A247 WeakPolarHBondContact O-CB 3.36Å; M243-A247 PolarHBondContact O-N 2.94Å
244E82.8Confident72.1Confident99 Ų9990.1 Ų90.146%0.46348%0.475SS..Hα-helixtrans-63.6-44.7173.7-74.4172.2-174.800111.9R240 K241 V246 A247 A248R240-E244 WeakPolarHBondContact CG-OE1 3.23Å; R240-E244 IonicContact CZ-OE1 3.7Å; R240-E244 IonicContact NH1-OE1 2.77Å; R240-E244 PolarHBondContact NH1-OE1 2.99Å; R240-E244 IonicContact NH1-OE2 3.6Å; R240-E244 PolarHBondContact NH1-OE2 3Å; R240-E244 WeakPolarHBondContact O-CG 3.2Å; R240-E244 PolarHBondContact O-N 3.31Å; K241-E244 PolarHBondContact O-N 3.29Å; E244-V246 PolarHBondContact O-N 3.41Å; E244-A247 PolarHBondContact O-N 3.4Å; E244-A248 WeakPolarHBondContact O-CB 3.44Å; E244-A248 PolarHBondContact O-N 3.23Å
245A78.8Confident71Confident52 Ų5292.7 Ų92.743%0.4348%0.478SS..Hα-helixtrans-62.9-42176.600000111.8K241 A242 A248 Q249K241-A245 WeakPolarHBondContact O-CB 3.45Å; K241-A245 PolarHBondContact O-N 3.02Å; A242-A245 PolarHBondContact O-N 3.47Å; A245-A248 PolarHBondContact O-N 3.45Å; A245-Q249 WeakPolarHBondContact O-CG 3.29Å; A245-Q249 PolarHBondContact O-N 3.47Å; A245-Q249 VanDerWaalsContact O-N 3.12Å
246V71.9Confident70Confident13 Ų1393.4 Ų93.48%0.07948%0.481CS..Hα-helixtrans-57.1-48.6172140.90000111.3N209 P211 A242 M243 E244 A248 Q249N209-V246 HydrophobicContact CB-CB 4.27Å; N209-V246 HydrophobicContact CB-CG1 3.7Å; N209-V246 HydrophobicContact CB-CG2 4.04Å; N209-V246 WeakPolarHBondContact O-CG1 3.28Å; P211-V246 HydrophobicContact CB-CG2 4.11Å; A242-V246 VanDerWaalsContact O-CB 3.32Å; A242-V246 WeakPolarHBondContact O-CB 3.49Å; A242-V246 WeakPolarHBondContact O-CG2 3.35Å; A242-V246 PolarHBondContact O-N 3.29Å; M243-V246 WeakPolarHBondContact O-CB 3.35Å; M243-V246 PolarHBondContact O-N 3.17Å; E244-V246 PolarHBondContact O-N 3.41Å; V246-A248 VanDerWaalsContact C-N 3.29Å; V246-A248 PolarHBondContact O-N 2.81Å; V246-Q249 PolarHBondContact O-N 2.9Å
247A70.1Confident69.1Low59 Ų5988.6 Ų88.649%0.48846%0.461SS..Hα-helixtrans-64.6-34.8179.300000111.9M243 E244 G250M243-A247 WeakPolarHBondContact O-CB 3.36Å; M243-A247 PolarHBondContact O-N 2.94Å; E244-A247 PolarHBondContact O-N 3.4Å; A247-G250 PolarHBondContact O-N 3.2Å
248A72.4Confident67.9Low57 Ų5787.8 Ų87.847%0.47146%0.46SS..Hα-helixtrans-69.4-30177.300000113.3E244 A245 V246 G250 K251E244-A248 WeakPolarHBondContact O-CB 3.44Å; E244-A248 PolarHBondContact O-N 3.23Å; A245-A248 PolarHBondContact O-N 3.45Å; V246-A248 VanDerWaalsContact C-N 3.29Å; V246-A248 PolarHBondContact O-N 2.81Å; A248-G250 PolarHBondContact O-N 3.01Å; A248-G250 VanDerWaalsContact O-N 3.13Å; A248-K251 PolarHBondContact O-N 3.43Å
249Q60.9Low66.7Low97 Ų9791.6 Ų91.645%0.45348%0.478SS..THydrogen-bonded Turntrans-63.9-16.6177.4-73.4176.714.500114.1A245 V246A245-Q249 WeakPolarHBondContact O-CG 3.29Å; A245-Q249 PolarHBondContact O-N 3.47Å; A245-Q249 VanDerWaalsContact O-N 3.12Å; V246-Q249 PolarHBondContact O-N 2.9Å
250G48Very low65.4Low34 Ų3495.9 Ų95.935%0.35150%0.499SS..THydrogen-bonded Turntrans-90.5-9.2173.200000115.1A247 A248A247-G250 PolarHBondContact O-N 3.2Å; A248-G250 PolarHBondContact O-N 3.01Å; A248-G250 VanDerWaalsContact O-N 3.13Å
251K48.8Very low63.8Low161 Ų16193.8 Ų93.870%0.750%0.501SS*.SBendtrans-96.1132.4178.1-63.2-178.2-179178.60108.8A248 K253A248-K251 PolarHBondContact O-N 3.43Å; K251-K253 PolarHBondContact O-N 2.86Å
252A41.6Very low62Low63 Ų6392.7 Ų92.752%0.52150%0.503SS..  trans-56.7131.8169.400000108.3K254A252-K254 PolarHBondContact O-N 2.81Å; A252-K254 VanDerWaalsContact O-N 3.08Å
253K39.5Very low60.4Low203 Ų20398.9 Ų98.988%0.88353%0.533SS*.  trans-67.3109.2165.5-79.1-172.8175.2-176.30105.3K251K251-K253 PolarHBondContact O-N 2.86Å
254K31.2Very low58.7Low276 Ų276101.3 Ų101.3100%1.255%0.549SS*.  trans-60.70168.8-78.1-172.3175.9-175.50110.2A252A252-K254 PolarHBondContact O-N 2.81Å; A252-K254 VanDerWaalsContact O-N 3.08Å

Retrieved 254 of 254 residues in 109.8 ms (Link to these results)

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