A0A3B3TV85_9TELE Loading...

Phosphoglycerate mutase

AlphaFold DB , UniProt , Accession A0A3B3TV85, Species 9TELE (Poecilia latipinna, sailfin 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
1M66.9Low92.9Very high219 Ų21944.5 Ų44.5100%1.07923%0.234SC*.  0135.40-70.7-168.4-77.100108A3M1-A3 PolarHBondContact O-N 3.12Å
2A81.4Confident93.2Very high46 Ų4640.8 Ų40.838%0.3822%0.215SC..  trans-61.3131.2174.500000110E219A2-E219 HydrophobicContact CB-CB 3.8Å; A2-E219 HydrophobicContact CB-CG 4.34Å
3A90.6Very high93.4Very high45 Ų4541.8 Ų41.837%0.37222%0.218SC..  trans-105.2-31.3176.900000111.8M1 L220 K222M1-A3 PolarHBondContact O-N 3.12Å; A3-L220 PolarHBondContact N-O 2.86Å; A3-K222 HydrophobicContact CB-CG 3.86Å
4Y97.2Very high93.6Very high45 Ų4538.8 Ų38.818%0.17620%0.202CC..EExtended strand (participates in β ladder)trans-137.2155.9-175-45.5-69.4000111.8I175 E219 L220 D221 L224Y4-I175 HydrophobicContact CD1-CG2 4.15Å; Y4-I175 WeakPolarHBondContact CD1-O 3.22Å; Y4-I175 HydrophobicContact CD2-CG2 3.94Å; Y4-I175 VanDerWaalsContact CE1-O 3.26Å; Y4-I175 WeakPolarHBondContact CE1-O 3.31Å; Y4-I175 HydrophobicContact CG-CG2 3.63Å; Y4-E219 WeakPolarHBondContact O-CA 3.37Å; Y4-L220 PolarHBondContact N-O 3.38Å; Y4-L220 PolarHBondContact O-N 3.22Å; Y4-D221 WeakPolarHBondContact CD2-O 3.24Å; Y4-D221 WeakPolarHBondContact CE2-O 3.44Å; Y4-L224 HydrophobicContact CD2-CD2 3.54Å; Y4-L224 HydrophobicContact CE2-CD2 3.74Å; Y4-L224 HydrophobicContact CG-CD2 4.48Å
5K95.6Very high93.5Very high100 Ų10038.4 Ų38.444%0.43521%0.207SC..EExtended strand (participates in β ladder)trans-118.8136.7170.4-68.2-171176.5-170.80110.3Y50 Y218 E219K5-Y50 HydrophobicContact CD-CE1 4.45Å; K5-Y218 WeakPolarHBondContact CA-O 3.42Å; K5-E219 WeakPolarHBondContact CE-OE1 3.37Å; K5-E219 IonicContact NZ-OE1 3.88Å
6L98.3Very high93.5Very high0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-130.2135.4176.7169.869.5000108.7L8 W167 I175 V181 I183 L197 Y218 L220L6-L8 HydrophobicContact CD1-CD2 4Å; L6-L8 HydrophobicContact CD2-CD2 3.93Å; L6-L8 HydrophobicContact CD2-CG 4.4Å; L6-L8 HydrophobicContact CG-CD2 3.89Å; L6-L8 HydrophobicContact CG-CG 4.37Å; L6-W167 HydrophobicContact CD2-CH2 3.6Å; L6-W167 HydrophobicContact CD2-CZ3 3.86Å; L6-I175 HydrophobicContact CD1-CD1 4.31Å; L6-V181 HydrophobicContact CD1-CB 3.9Å; L6-V181 HydrophobicContact CD1-CG1 3.97Å; L6-I183 HydrophobicContact CD1-CD1 4Å; L6-I183 HydrophobicContact CD1-CG1 4.18Å; L6-L197 HydrophobicContact CD2-CD1 3.98Å; L6-Y218 PolarHBondContact N-O 3.48Å; L6-Y218 PolarHBondContact O-N 3.26Å; L6-L220 HydrophobicContact CB-CD1 4.18Å; L6-L220 HydrophobicContact CD2-CD1 4.29Å
7V98.8Very high93.1Very high1 Ų137.4 Ų37.41%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-116128.5173-178.70000109.9L45 Y50 F52 V181 L182 I183 P215 I216 V217V7-L45 HydrophobicContact CG1-CD1 4.41Å; V7-L45 HydrophobicContact CG1-CD2 4Å; V7-L45 HydrophobicContact CG2-CD2 4.34Å; V7-Y50 HydrophobicContact CG2-CD1 3.88Å; V7-Y50 HydrophobicContact CG2-CE1 3.87Å; V7-F52 HydrophobicContact CB-CE1 3.74Å; V7-F52 HydrophobicContact CB-CZ 3.97Å; V7-F52 HydrophobicContact CG1-CZ 4.31Å; V7-F52 HydrophobicContact CG2-CE1 3.58Å; V7-F52 HydrophobicContact CG2-CZ 3.81Å; V7-V181 PolarHBondContact N-O 2.74Å; V7-L182 HydrophobicContact CB-CD1 3.94Å; V7-L182 HydrophobicContact CG1-CD1 3.64Å; V7-L182 CarbonylContact O-C 3.58Å; V7-L182 WeakPolarHBondContact O-CA 3.21Å; V7-I183 PolarHBondContact O-N 3.08Å; V7-P215 HydrophobicContact CG1-CB 3.97Å; V7-I216 CarbonylContact C-O 3.52Å; V7-I216 WeakPolarHBondContact CA-O 3.15Å; V7-V217 HydrophobicContact CG2-CG2 4.2Å
8L98.7Very high92.7Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-111.7142.5172.1-48.5-179.8000108.8L6 I183 L190 I193 V194 I216 Y218L6-L8 HydrophobicContact CD1-CD2 4Å; L6-L8 HydrophobicContact CD2-CD2 3.93Å; L6-L8 HydrophobicContact CD2-CG 4.4Å; L6-L8 HydrophobicContact CG-CD2 3.89Å; L6-L8 HydrophobicContact CG-CG 4.37Å; L8-I183 CarbonylContact C-O 3.55Å; L8-I183 WeakPolarHBondContact CA-O 3.5Å; L8-I183 HydrophobicContact CD2-CB 3.75Å; L8-I183 HydrophobicContact CD2-CD1 3.62Å; L8-I183 HydrophobicContact CD2-CG1 3.9Å; L8-L190 HydrophobicContact CB-CD1 4.45Å; L8-L190 HydrophobicContact CB-CD2 4.15Å; L8-L190 HydrophobicContact CD1-CD2 4.42Å; L8-L190 HydrophobicContact CD2-CD2 4.28Å; L8-I193 HydrophobicContact CD1-CG2 4.4Å; L8-V194 HydrophobicContact CD1-CG2 4.08Å; L8-I216 HydrophobicContact CB-CB 4.29Å; L8-I216 PolarHBondContact N-O 3.34Å; L8-I216 PolarHBondContact O-N 2.9Å; L8-Y218 HydrophobicContact CD1-CD2 4.21Å; L8-Y218 HydrophobicContact CD1-CE2 3.95Å
9I98.5Very high92.5Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-139.7123.6171.5-170.4170.6000110T66 V70 L182 I183 A184 A185 P215I9-T66 HydrophobicContact CD1-CG2 4.22Å; I9-T66 HydrophobicContact CG1-CG2 4.48Å; I9-T66 HydrophobicContact CG2-CG2 4.5Å; I9-V70 HydrophobicContact CD1-CG2 3.91Å; I9-L182 HydrophobicContact CG2-CD1 4.18Å; I9-I183 PolarHBondContact N-O 3.02Å; I9-A184 HydrophobicContact CG2-CB 3.7Å; I9-A184 CarbonylContact O-C 3.58Å; I9-A184 WeakPolarHBondContact O-CA 3.39Å; I9-A185 PolarHBondContact O-N 3.11Å; I9-P215 HydrophobicContact CD1-CG 4.21Å
10R98.1Very high92.3Very high29 Ų2944.8 Ų44.811%0.10923%0.233CC..EExtended strand (participates in β ladder)trans-73.6135.6167.3178.9-175.1170.4-172.8-6.3107.7A185 L190 L210 P211 T212 G213R10-A185 WeakPolarHBondContact CA-O 3.39Å; R10-L190 HydrophobicContact CB-CD1 4.08Å; R10-L210 VanDerWaalsContact CD-O 3.29Å; R10-L210 WeakPolarHBondContact CD-O 3.23Å; R10-L210 PolarHBondContact NH1-O 3.11Å; R10-P211 WeakPolarHBondContact CB-O 3.3Å; R10-T212 HydrophobicContact CG-CG2 4.45Å; R10-T212 VanDerWaalsContact CZ-CG2 3.49Å; R10-G213 WeakPolarHBondContact O-CA 3.42Å; R10-G213 PolarHBondContact O-N 3.42Å
11H98.3Very high92.3Very high4 Ų446.7 Ų46.72%0.01924%0.237CC..PPolyproline II helixtrans-50.3151.8175.469.381.2000112.9R62 T66 A185 H186 T212H11-R62 VanDerWaalsContact CE1-CD 3.46Å; H11-R62 WeakPolarHBondContact CE1-CD 3.28Å; H11-R62 PolarHBondContact NE2-NE 3.13Å; H11-T66 VanDerWaalsContact CA-OG1 3.3Å; H11-T66 WeakPolarHBondContact CA-OG1 3.39Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.27Å; H11-A185 PolarHBondContact CD2-O 2.97Å; H11-A185 PolarHBondContact N-O 3.46Å; H11-H186 AromaticContact CD2-CE1 3.64Å; H11-H186 AromaticContact CD2-CG 3.78Å; H11-H186 AromaticContact CD2-ND1 2.98Å; H11-H186 PolarHBondContact CD2-ND1 3.28Å; H11-H186 AromaticContact NE2-CE1 3.91Å; H11-H186 AromaticContact NE2-ND1 3.05Å; H11-H186 PolarHBondContact NE2-ND1 2.91Å; H11-T212 WeakPolarHBondContact O-CB 3.44Å; H11-T212 WeakPolarHBondContact O-CG2 3.38Å
12G96.7Very high93.5Very high0 Ų036.2 Ų36.20%019%0.185CC..PPolyproline II helixtrans-60.9166.5171.300000112.1S14 L30 E37 T66G12-S14 PolarHBondContact O-N 2.85Å; G12-L30 VanDerWaalsContact O-CD2 3.25Å; G12-L30 WeakPolarHBondContact O-CD2 3.32Å; G12-E37 WeakPolarHBondContact CA-OE2 3.26Å; G12-T66 PolarHBondContact N-OG1 2.85Å
13E95.5Very high94.1Very high54 Ų5434.4 Ų34.425%0.25217%0.17SC..PPolyproline II helixtrans-48.7130.8177.5-168.7-176.6-124.200112.4N17 Q18 S31 G34 E37E13-N17 HydrophobicContact CG-CB 3.75Å; E13-Q18 HydrophobicContact CG-CG 3.91Å; E13-Q18 VanDerWaalsContact OE2-CD 3.28Å; E13-Q18 WeakPolarHBondContact OE2-CG 3.45Å; E13-Q18 PolarHBondContact OE2-NE2 3.08Å; E13-S31 PolarHBondContact O-N 3.14Å; E13-S31 PolarHBondContact O-OG 3.36Å; E13-S31 PolarHBondContact OE2-OG 3.1Å; E13-G34 WeakPolarHBondContact O-CA 3.36Å; E13-E37 PolarHBondContact N-OE2 3.44Å
14S95.5Very high94.4Very high0 Ų032.3 Ų32.30%015%0.152CC..BIsolated β-bridgetrans-93.7161.1172.964.20000111.7G12 W16 N17 Q18 D29G12-S14 PolarHBondContact O-N 2.85Å; S14-W16 PolarHBondContact O-N 2.85Å; S14-N17 PolarHBondContact N-OD1 3.33Å; S14-N17 WeakPolarHBondContact O-CA 3.38Å; S14-N17 WeakPolarHBondContact O-CB 3.33Å; S14-N17 PolarHBondContact O-N 3.32Å; S14-N17 PolarHBondContact OG-N 3.23Å; S14-N17 PolarHBondContact OG-OD1 2.98Å; S14-Q18 PolarHBondContact O-N 2.71Å; S14-D29 VanDerWaalsContact CA-O 3.3Å; S14-D29 WeakPolarHBondContact CA-O 3.21Å; S14-D29 VanDerWaalsContact CB-O 3.26Å; S14-D29 WeakPolarHBondContact CB-O 3.44Å
15A93.1Very high94.4Very high33 Ų3330.3 Ų30.327%0.27315%0.145SC..Hα-helixtrans-50.9-42174.800000112.3N17 Q18 E19 D29A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.05Å; A15-Q18 WeakPolarHBondContact O-CB 3.24Å; A15-Q18 PolarHBondContact O-N 3.42Å; A15-E19 PolarHBondContact O-N 2.75Å; A15-E19 VanDerWaalsContact O-N 3.1Å; A15-D29 PolarHBondContact N-O 3.02Å; A15-D29 VanDerWaalsContact N-O 3.09Å
16W93.1Very high94.5Very high19 Ų1927.6 Ų27.67%0.07213%0.133CC..Hα-helixtrans-75.7-16.8177.7-80.323.2000114.5S14 N20 R21 F22 C23 F26 A28 T96 Y132S14-W16 PolarHBondContact O-N 2.85Å; W16-N20 PolarHBondContact O-N 3.43Å; W16-R21 HydrophobicContact CB-CB 4.2Å; W16-R21 HydrophobicContact CD2-CB 4.17Å; W16-R21 HydrophobicContact CE3-CB 3.99Å; W16-R21 HydrophobicContact CG-CB 4.27Å; W16-R21 PolarHBondContact O-N 3.34Å; W16-F22 WeakPolarHBondContact CZ3-O 3.28Å; W16-C23 HydrophobicContact CB-CB 4.1Å; W16-C23 HydrophobicContact CE3-CB 4.1Å; W16-F26 AromaticContact CD2-CD1 3.66Å; W16-F26 HydrophobicContact CD2-CD1 3.66Å; W16-F26 AromaticContact CD2-CE1 3.95Å; W16-F26 HydrophobicContact CD2-CE1 3.95Å; W16-F26 AromaticContact CE2-CD1 3.45Å; W16-F26 VanDerWaalsContact CE2-CD1 3.45Å; W16-F26 AromaticContact CE2-CE1 3.31Å; W16-F26 HydrophobicContact CE3-CB 4.33Å; W16-F26 AromaticContact CE3-CD1 3.8Å; W16-F26 HydrophobicContact CE3-CD1 3.8Å; W16-F26 HydrophobicContact CE3-CE1 4.5Å; W16-F26 HydrophobicContact CE3-CG 4.27Å; W16-F26 HydrophobicContact CG-CD1 4.44Å; W16-F26 HydrophobicContact CH2-CB 3.83Å; W16-F26 AromaticContact CH2-CD1 3.41Å; W16-F26 HydrophobicContact CH2-CD1 3.41Å; W16-F26 VanDerWaalsContact CH2-CD1 3.41Å; W16-F26 AromaticContact CH2-CD2 3.74Å; W16-F26 HydrophobicContact CH2-CD2 3.74Å; W16-F26 AromaticContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE2 4.14Å; W16-F26 AromaticContact CH2-CG 3.35Å; W16-F26 HydrophobicContact CH2-CG 3.35Å; W16-F26 HydrophobicContact CH2-CZ 4.19Å; W16-F26 AromaticContact CZ2-CD1 3.35Å; W16-F26 HydrophobicContact CZ2-CD1 3.35Å; W16-F26 HydrophobicContact CZ2-CD2 4.03Å; W16-F26 AromaticContact CZ2-CE1 3.28Å; W16-F26 HydrophobicContact CZ2-CE1 3.28Å; W16-F26 AromaticContact CZ2-CE2 3.96Å; W16-F26 HydrophobicContact CZ2-CE2 3.96Å; W16-F26 AromaticContact CZ2-CG 3.74Å; W16-F26 HydrophobicContact CZ2-CG 3.74Å; W16-F26 AromaticContact CZ2-CZ 3.6Å; W16-F26 HydrophobicContact CZ2-CZ 3.6Å; W16-F26 HydrophobicContact CZ3-CB 3.66Å; 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 3.65Å; W16-F26 HydrophobicContact CZ3-CG 3.65Å; W16-F26 AromaticContact NE1-CE1 3.66Å; W16-A28 HydrophobicContact CB-CB 4.33Å; W16-A28 HydrophobicContact CG-CB 4.24Å; W16-T96 HydrophobicContact CZ3-CG2 4.1Å; W16-Y132 HydrophobicContact CH2-CD1 4.12Å; W16-Y132 HydrophobicContact CH2-CD2 4.35Å; W16-Y132 AromaticContact CH2-CE1 3.63Å; W16-Y132 HydrophobicContact CH2-CE1 3.63Å; W16-Y132 AromaticContact CH2-CE2 3.89Å; W16-Y132 HydrophobicContact CH2-CE2 3.89Å; W16-Y132 HydrophobicContact CH2-CG 4.45Å; W16-Y132 AromaticContact CH2-CZ 3.5Å; W16-Y132 VanDerWaalsContact CH2-CZ 3.5Å; W16-Y132 AromaticContact CZ2-CE1 3.72Å; W16-Y132 HydrophobicContact CZ2-CE1 3.72Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.66Å
17N86.4Confident94.5Very high40 Ų4029 Ų2921%0.21414%0.14CC..Hα-helixtrans-71.4-41.2168-61.1141000110.7E13 S14 A15 E19 N20E13-N17 HydrophobicContact CG-CB 3.75Å; S14-N17 PolarHBondContact N-OD1 3.33Å; S14-N17 WeakPolarHBondContact O-CA 3.38Å; S14-N17 WeakPolarHBondContact O-CB 3.33Å; S14-N17 PolarHBondContact O-N 3.32Å; S14-N17 PolarHBondContact OG-N 3.23Å; S14-N17 PolarHBondContact OG-OD1 2.98Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.05Å; N17-E19 VanDerWaalsContact C-N 3.34Å; N17-E19 PolarHBondContact O-N 3.29Å; N17-N20 PolarHBondContact O-N 3.13Å
18Q86.5Confident94.4Very high106 Ų10629.1 Ų29.150%0.49514%0.142SC..Hα-helixtrans-60.3-43.8174.3-66.3-175-31.100111.7E13 S14 A15 N20 S31E13-Q18 HydrophobicContact CG-CG 3.91Å; E13-Q18 VanDerWaalsContact OE2-CD 3.28Å; E13-Q18 WeakPolarHBondContact OE2-CG 3.45Å; E13-Q18 PolarHBondContact OE2-NE2 3.08Å; S14-Q18 PolarHBondContact O-N 2.71Å; A15-Q18 WeakPolarHBondContact O-CB 3.24Å; A15-Q18 PolarHBondContact O-N 3.42Å; Q18-N20 PolarHBondContact O-N 3.13Å; Q18-S31 PolarHBondContact NE2-OG 3.43Å; Q18-S31 VanDerWaalsContact OE1-CB 3.3Å
19E88.8Confident94.4Very high89 Ų8931.4 Ų31.442%0.41615%0.154SC..THydrogen-bonded Turntrans-75.32.8176.5-64.4176.9-136.500114A15 N17 R21 N99A15-E19 PolarHBondContact O-N 2.75Å; A15-E19 VanDerWaalsContact O-N 3.1Å; N17-E19 VanDerWaalsContact C-N 3.34Å; N17-E19 PolarHBondContact O-N 3.29Å; E19-R21 HydrophobicContact CB-CG 4.06Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R21 IonicContact OE2-CZ 2.79Å; E19-R21 IonicContact OE2-NE 3.77Å; E19-R21 PolarHBondContact OE2-NE 2.95Å; E19-R21 IonicContact OE2-NH2 3.7Å; E19-N99 PolarHBondContact O-ND2 2.91Å
20N87.9Confident94.4Very high66 Ų6632 Ų3235%0.35316%0.157SC..THydrogen-bonded Turntrans55.134.3-178.1-165.439.3000114W16 N17 Q18 K100W16-N20 PolarHBondContact O-N 3.43Å; N17-N20 PolarHBondContact O-N 3.13Å; Q18-N20 PolarHBondContact O-N 3.13Å; N20-K100 WeakPolarHBondContact O-CB 3.38Å; N20-K100 WeakPolarHBondContact O-CG 3.34Å; N20-K100 PolarHBondContact O-N 3.01Å; N20-K100 WeakPolarHBondContact OD1-CD 3.37Å
21R92.5Very high94.4Very high84 Ų8431 Ų3132%0.31715%0.154SC..BIsolated β-bridgetrans-93.6155.8178.1-64-179.8-172.7-108.64.6112.7W16 E19 C23 G97 L98 K100W16-R21 HydrophobicContact CB-CB 4.2Å; W16-R21 HydrophobicContact CD2-CB 4.17Å; W16-R21 HydrophobicContact CE3-CB 3.99Å; W16-R21 HydrophobicContact CG-CB 4.27Å; W16-R21 PolarHBondContact O-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.06Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R21 IonicContact OE2-CZ 2.79Å; E19-R21 IonicContact OE2-NE 3.77Å; E19-R21 PolarHBondContact OE2-NE 2.95Å; E19-R21 IonicContact OE2-NH2 3.7Å; R21-C23 PolarHBondContact O-N 3.05Å; R21-G97 WeakPolarHBondContact CD-O 3.29Å; R21-G97 PolarHBondContact NH1-O 2.97Å; R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.25Å; R21-L98 WeakPolarHBondContact CA-O 3.33Å; R21-K100 WeakPolarHBondContact O-CE 3.47Å
22F92.2Very high94.3Very high0 Ų038 Ų380%019%0.187CC..  trans-74.1107.5166.3-70.5-84.4000110W16 Y92 L95 T96 G97 L98 K100 T103 V112 R116W16-F22 WeakPolarHBondContact CZ3-O 3.28Å; F22-Y92 HydrophobicContact CB-CD2 4.19Å; F22-Y92 HydrophobicContact CB-CG 4.22Å; F22-Y92 AromaticContact CD1-CD1 3.78Å; F22-Y92 HydrophobicContact CD1-CD1 3.78Å; F22-Y92 HydrophobicContact CD1-CD2 4.11Å; F22-Y92 HydrophobicContact CD1-CE1 4.01Å; F22-Y92 HydrophobicContact CD1-CE2 4.33Å; F22-Y92 AromaticContact CD1-CG 3.85Å; F22-Y92 HydrophobicContact CD1-CG 3.85Å; F22-Y92 HydrophobicContact CE1-CD1 4.26Å; F22-Y92 HydrophobicContact CE1-CE1 4.3Å; F22-Y92 HydrophobicContact CG-CG 4.47Å; F22-L95 HydrophobicContact CB-CB 4.42Å; F22-L95 VanDerWaalsContact CB-O 3.32Å; F22-L95 WeakPolarHBondContact CB-O 3.46Å; F22-L95 HydrophobicContact CD2-CB 4.06Å; F22-L95 HydrophobicContact CE1-CD1 4.37Å; F22-L95 HydrophobicContact CE2-CB 4.41Å; F22-L95 HydrophobicContact CG-CB 4.13Å; F22-L95 HydrophobicContact CZ-CD1 4.25Å; F22-T96 WeakPolarHBondContact O-CA 3.43Å; F22-G97 PolarHBondContact O-N 3.23Å; F22-L98 HydrophobicContact CD2-CB 4.43Å; F22-L98 WeakPolarHBondContact CD2-O 3.1Å; F22-L98 PolarHBondContact N-O 3.14Å; F22-K100 HydrophobicContact CD1-CG 4.31Å; F22-K100 HydrophobicContact CD2-CG 3.77Å; F22-K100 HydrophobicContact CE1-CG 4.1Å; F22-K100 HydrophobicContact CE2-CB 4.18Å; F22-K100 HydrophobicContact CE2-CG 3.52Å; F22-K100 HydrophobicContact CG-CG 4.16Å; F22-K100 HydrophobicContact CZ-CB 4.45Å; F22-K100 HydrophobicContact CZ-CG 3.71Å; F22-T103 HydrophobicContact CE2-CG2 4.34Å; F22-V112 HydrophobicContact CZ-CG1 4.19Å; F22-R116 HydrophobicContact CE1-CG 3.64Å; F22-R116 HydrophobicContact CZ-CG 4.01Å
23C94.3Very high94.3Very high8 Ų839.8 Ų39.85%0.05420%0.202CC..  trans-82.4-59.4-177.9-173.70000112.9W16 R21 W25 F26 R62W16-C23 HydrophobicContact CB-CB 4.1Å; W16-C23 HydrophobicContact CE3-CB 4.1Å; R21-C23 PolarHBondContact O-N 3.05Å; C23-W25 PolarHBondContact O-N 2.94Å; C23-F26 WeakPolarHBondContact O-CB 3.46Å; C23-F26 PolarHBondContact O-N 3.12Å; C23-F26 PolarHBondContact SG-O 2.8Å; C23-F26 VanDerWaalsContact SG-O 3.39Å; C23-R62 PolarHBondContact SG-NH1 2.85Å
24G95.9Very high94.3Very high1 Ų137.2 Ų37.21%0.0119%0.19CC..THydrogen-bonded Turntrans57.1-124.817800000111.3R62 R90G24-R62 PolarHBondContact O-NH2 3.32Å; G24-R90 VanDerWaalsContact CA-O 3.29Å; G24-R90 WeakPolarHBondContact CA-O 3.48Å
25W98.2Very high94.5Very high3 Ų339.7 Ų39.71%0.01120%0.201CC..THydrogen-bonded Turntrans-86.6-3.4-178.7-76.237000114.3C23 D27 W85 N88 E89 H91 I136 Y142 L150 P151C23-W25 PolarHBondContact O-N 2.94Å; W25-D27 PolarHBondContact O-N 3.47Å; W25-W85 HydrophobicContact CH2-CD2 4.45Å; W25-W85 AromaticContact CH2-CE3 3.63Å; W25-W85 HydrophobicContact CH2-CE3 3.63Å; W25-W85 HydrophobicContact CH2-CZ3 4.18Å; W25-W85 AromaticContact CZ2-CE3 3.87Å; W25-W85 HydrophobicContact CZ2-CE3 3.87Å; W25-W85 HydrophobicContact CZ2-CZ3 4.29Å; W25-N88 HydrophobicContact CZ2-CB 4.24Å; W25-E89 PolarHBondContact NE1-O 3.34Å; W25-H91 AromaticContact CD1-CD2 3.77Å; W25-H91 AromaticContact CD2-CD2 3.4Å; W25-H91 VanDerWaalsContact CD2-CD2 3.4Å; W25-H91 AromaticContact CE2-CD2 3.83Å; W25-H91 AromaticContact CE3-CD2 3.82Å; W25-H91 HydrophobicContact CG-CB 4.29Å; W25-H91 AromaticContact CG-CD2 3.36Å; W25-I136 HydrophobicContact CB-CG2 3.72Å; W25-I136 HydrophobicContact CE3-CG2 4.38Å; W25-Y142 AromaticContact CE3-CE1 3.86Å; W25-Y142 HydrophobicContact CE3-CE1 3.86Å; W25-Y142 AromaticContact CE3-CE2 3.99Å; W25-Y142 HydrophobicContact CE3-CE2 3.99Å; W25-Y142 AromaticContact CE3-CZ 3.53Å; W25-Y142 HydrophobicContact CH2-CE1 4.32Å; W25-Y142 AromaticContact CZ3-CD1 3.91Å; W25-Y142 HydrophobicContact CZ3-CD1 3.91Å; W25-Y142 AromaticContact CZ3-CE1 3.51Å; W25-Y142 HydrophobicContact CZ3-CE1 3.51Å; W25-Y142 HydrophobicContact CZ3-CE2 4.23Å; W25-Y142 HydrophobicContact CZ3-CG 4.42Å; W25-Y142 AromaticContact CZ3-CZ 3.69Å; W25-L150 HydrophobicContact CE3-CD1 4.24Å; W25-L150 HydrophobicContact CH2-CD1 4.1Å; W25-L150 HydrophobicContact CZ3-CD1 3.41Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.41Å; W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.75Å
26F97.9Very high94.7Very high42 Ų4244.7 Ų44.718%0.18422%0.217CC..SBendtrans-59.8133.5168.6-179.6-102000109.8W16 C23 A28 R62 T96 Y132 I136W16-F26 AromaticContact CD2-CD1 3.66Å; W16-F26 HydrophobicContact CD2-CD1 3.66Å; W16-F26 AromaticContact CD2-CE1 3.95Å; W16-F26 HydrophobicContact CD2-CE1 3.95Å; W16-F26 AromaticContact CE2-CD1 3.45Å; W16-F26 VanDerWaalsContact CE2-CD1 3.45Å; W16-F26 AromaticContact CE2-CE1 3.31Å; W16-F26 HydrophobicContact CE3-CB 4.33Å; W16-F26 AromaticContact CE3-CD1 3.8Å; W16-F26 HydrophobicContact CE3-CD1 3.8Å; W16-F26 HydrophobicContact CE3-CE1 4.5Å; W16-F26 HydrophobicContact CE3-CG 4.27Å; W16-F26 HydrophobicContact CG-CD1 4.44Å; W16-F26 HydrophobicContact CH2-CB 3.83Å; W16-F26 AromaticContact CH2-CD1 3.41Å; W16-F26 HydrophobicContact CH2-CD1 3.41Å; W16-F26 VanDerWaalsContact CH2-CD1 3.41Å; W16-F26 AromaticContact CH2-CD2 3.74Å; W16-F26 HydrophobicContact CH2-CD2 3.74Å; W16-F26 AromaticContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE2 4.14Å; W16-F26 AromaticContact CH2-CG 3.35Å; W16-F26 HydrophobicContact CH2-CG 3.35Å; W16-F26 HydrophobicContact CH2-CZ 4.19Å; W16-F26 AromaticContact CZ2-CD1 3.35Å; W16-F26 HydrophobicContact CZ2-CD1 3.35Å; W16-F26 HydrophobicContact CZ2-CD2 4.03Å; W16-F26 AromaticContact CZ2-CE1 3.28Å; W16-F26 HydrophobicContact CZ2-CE1 3.28Å; W16-F26 AromaticContact CZ2-CE2 3.96Å; W16-F26 HydrophobicContact CZ2-CE2 3.96Å; W16-F26 AromaticContact CZ2-CG 3.74Å; W16-F26 HydrophobicContact CZ2-CG 3.74Å; W16-F26 AromaticContact CZ2-CZ 3.6Å; W16-F26 HydrophobicContact CZ2-CZ 3.6Å; W16-F26 HydrophobicContact CZ3-CB 3.66Å; 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 3.65Å; W16-F26 HydrophobicContact CZ3-CG 3.65Å; W16-F26 AromaticContact NE1-CE1 3.66Å; C23-F26 WeakPolarHBondContact O-CB 3.46Å; C23-F26 PolarHBondContact O-N 3.12Å; C23-F26 PolarHBondContact SG-O 2.8Å; C23-F26 VanDerWaalsContact SG-O 3.39Å; F26-A28 HydrophobicContact CD1-CB 3.76Å; F26-A28 HydrophobicContact CE1-CB 3.89Å; F26-A28 PolarHBondContact O-N 2.76Å; F26-R62 PolarHBondContact O-NH1 2.94Å; F26-T96 HydrophobicContact CB-CG2 4.06Å; F26-Y132 AromaticContact CD2-CD1 3.6Å; F26-Y132 HydrophobicContact CD2-CD1 3.6Å; F26-Y132 AromaticContact CD2-CE1 3.98Å; F26-Y132 HydrophobicContact CD2-CE1 3.98Å; F26-Y132 HydrophobicContact CD2-CG 4.4Å; F26-Y132 AromaticContact CE2-CD1 3.68Å; F26-Y132 HydrophobicContact CE2-CD1 3.68Å; F26-Y132 AromaticContact CE2-CE1 3.72Å; F26-Y132 HydrophobicContact CE2-CE1 3.72Å; F26-Y132 HydrophobicContact CZ-CE1 4.4Å; F26-I136 HydrophobicContact CB-CD1 4.13Å
27D98Very high94.9Very high29 Ų2945.5 Ų45.516%0.15522%0.221CC..  trans-86.151.8-171.9-161.324000112.4W25 L60 K61 R141W25-D27 PolarHBondContact O-N 3.47Å; D27-L60 WeakPolarHBondContact OD1-CA 3.26Å; D27-K61 WeakPolarHBondContact O-CD 3.28Å; D27-K61 WeakPolarHBondContact O-CE 3.47Å; D27-K61 PolarHBondContact O-NZ 3.28Å; D27-K61 WeakPolarHBondContact OD1-CG 3.39Å; D27-K61 PolarHBondContact OD1-N 3.16Å; D27-K61 WeakPolarHBondContact OD2-CE 3.35Å; D27-K61 IonicContact OD2-NZ 3.86Å; D27-R141 IonicContact OD1-NH1 2.85Å; D27-R141 IonicContact OD2-CZ 2.86Å; D27-R141 VanDerWaalsContact OD2-CZ 3.28Å; D27-R141 IonicContact OD2-NH1 2.78Å; D27-R141 PolarHBondContact OD2-NH1 2.97Å; D27-R141 IonicContact OD2-NH2 3.28Å; D27-R141 PolarHBondContact OD2-NH2 2.95Å
28A97.1Very high95.4Very high5 Ų543.6 Ų43.64%0.04121%0.211CC..PPolyproline II helixtrans-60.6140.2174.900000110.9W16 F26W16-A28 HydrophobicContact CB-CB 4.33Å; W16-A28 HydrophobicContact CG-CB 4.24Å; F26-A28 HydrophobicContact CD1-CB 3.76Å; F26-A28 HydrophobicContact CE1-CB 3.89Å; F26-A28 PolarHBondContact O-N 2.76Å
29D98.1Very high96Very high47 Ų4743.2 Ų43.225%0.25121%0.208SC..PPolyproline II helixtrans-80.6168.7174.2-141.3-21000111.9S14 A15 K61 R65S14-D29 VanDerWaalsContact CA-O 3.3Å; S14-D29 WeakPolarHBondContact CA-O 3.21Å; S14-D29 VanDerWaalsContact CB-O 3.26Å; S14-D29 WeakPolarHBondContact CB-O 3.44Å; A15-D29 PolarHBondContact N-O 3.02Å; A15-D29 VanDerWaalsContact N-O 3.09Å; D29-K61 HydrophobicContact CB-CD 3.79Å; D29-K61 HydrophobicContact CB-CG 4.38Å; D29-R65 WeakPolarHBondContact OD1-CD 3.34Å; D29-R65 IonicContact OD1-CZ 3.93Å; D29-R65 IonicContact OD1-NE 2.88Å; D29-R65 PolarHBondContact OD1-NE 2.86Å; D29-R65 IonicContact OD2-CZ 3.9Å; D29-R65 IonicContact OD2-NE 3.79Å; D29-R65 PolarHBondContact OD2-NE 3.08Å; D29-R65 IonicContact OD2-NH2 3.34Å; D29-R65 PolarHBondContact OD2-NH2 3.22Å
30L98.2Very high96.4Very high14 Ų1443.3 Ų43.37%0.07320%0.204CC..BIsolated β-bridgetrans-63.5147169-68.3174.4000110.3G12 E35 R62 R65 Y69G12-L30 VanDerWaalsContact O-CD2 3.25Å; G12-L30 WeakPolarHBondContact O-CD2 3.32Å; L30-E35 HydrophobicContact CB-CG 3.98Å; L30-E35 HydrophobicContact CD1-CG 4.33Å; L30-R62 HydrophobicContact CD2-CB 3.94Å; L30-R62 HydrophobicContact CG-CB 4.18Å; L30-R65 HydrophobicContact CD1-CB 3.79Å; L30-Y69 HydrophobicContact CD1-CD2 4.14Å; L30-Y69 HydrophobicContact CD1-CE2 4.05Å
31S97.4Very high96.9Very high7 Ų740.2 Ų40.25%0.04919%0.189CC..PPolyproline II helixtrans-79165.5162.669.90000110.1E13 Q18 A33 G34 E35E13-S31 PolarHBondContact O-N 3.14Å; E13-S31 PolarHBondContact O-OG 3.36Å; E13-S31 PolarHBondContact OE2-OG 3.1Å; Q18-S31 PolarHBondContact NE2-OG 3.43Å; Q18-S31 VanDerWaalsContact OE1-CB 3.3Å; S31-A33 PolarHBondContact O-N 2.87Å; S31-A33 PolarHBondContact OG-N 3.13Å; S31-G34 WeakPolarHBondContact O-CA 3.33Å; S31-G34 PolarHBondContact O-N 3.01Å; S31-G34 PolarHBondContact OG-N 3.18Å; S31-E35 WeakPolarHBondContact O-CG 3.43Å; S31-E35 PolarHBondContact O-N 2.93Å
32E97.1Very high97.2Very high151 Ų15136.2 Ų36.271%0.70617%0.173SC*.Hα-helixtrans-54.9-35.2172.4-65.4-176.5-177.300112.5K36E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 2.52Å
33A95.9Very high97.5Very high37 Ų3740 Ų4031%0.30619%0.191SC..Hα-helixtrans-65.6-46.8173.900000110.7S31 E35 K36 E37S31-A33 PolarHBondContact O-N 2.87Å; S31-A33 PolarHBondContact OG-N 3.13Å; A33-E35 VanDerWaalsContact C-N 3.3Å; A33-E35 PolarHBondContact O-N 2.88Å; A33-K36 WeakPolarHBondContact O-CB 3.46Å; A33-K36 PolarHBondContact O-N 3.43Å; A33-K36 VanDerWaalsContact O-N 3.1Å; A33-E37 WeakPolarHBondContact O-CG 3.25Å; A33-E37 PolarHBondContact O-N 2.88Å
34G97.2Very high97.6Very high0 Ų040.3 Ų40.30%019%0.194CC..Hα-helixtrans-61.5-33.2177.200000114.2E13 S31 E37 A38E13-G34 WeakPolarHBondContact O-CA 3.36Å; S31-G34 WeakPolarHBondContact O-CA 3.33Å; S31-G34 PolarHBondContact O-N 3.01Å; S31-G34 PolarHBondContact OG-N 3.18Å; G34-E37 PolarHBondContact O-N 3.16Å; G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 3.05Å
35E98.3Very high97.8Very high52 Ų5240.3 Ų40.324%0.24319%0.194CC..Hα-helixtrans-65.6-43.2172.1-59.4-162.8144.900112L30 S31 A33 E37 A38 K39 Y69L30-E35 HydrophobicContact CB-CG 3.98Å; L30-E35 HydrophobicContact CD1-CG 4.33Å; S31-E35 WeakPolarHBondContact O-CG 3.43Å; S31-E35 PolarHBondContact O-N 2.93Å; A33-E35 VanDerWaalsContact C-N 3.3Å; A33-E35 PolarHBondContact O-N 2.88Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-A38 PolarHBondContact O-N 3.29Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 2.99Å; E35-Y69 HydrophobicContact CB-CE2 3.88Å; E35-Y69 HydrophobicContact CG-CE2 3.7Å; E35-Y69 PolarHBondContact OE1-OH 2.84Å; E35-Y69 PolarHBondContact OE2-OH 2.86Å
36K97.4Very high97.8Very high139 Ų13945.1 Ų45.160%0.60422%0.215SC*.Hα-helixtrans-63.3-40.1175.1-68.1169.8-1751710111.2E32 A33 K39 R40E32-K36 WeakPolarHBondContact O-CG 3.37Å; E32-K36 PolarHBondContact O-N 2.52Å; A33-K36 WeakPolarHBondContact O-CB 3.46Å; A33-K36 PolarHBondContact O-N 3.43Å; A33-K36 VanDerWaalsContact O-N 3.1Å; K36-K39 PolarHBondContact O-N 3.21Å; K36-R40 WeakPolarHBondContact O-CB 3.4Å; K36-R40 PolarHBondContact O-N 3.2Å
37E97.3Very high97.7Very high35 Ų3549 Ų4916%0.16424%0.237CC..Hα-helixtrans-60.7-46.6174.4-67.6-178.8146.800111.7G12 E13 A33 G34 E35 R40 G41 T212G12-E37 WeakPolarHBondContact CA-OE2 3.26Å; E13-E37 PolarHBondContact N-OE2 3.44Å; A33-E37 WeakPolarHBondContact O-CG 3.25Å; A33-E37 PolarHBondContact O-N 2.88Å; G34-E37 PolarHBondContact O-N 3.16Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E37-R40 PolarHBondContact O-N 2.98Å; E37-G41 PolarHBondContact O-N 2.94Å; E37-T212 PolarHBondContact OE1-OG1 3.04Å; E37-T212 VanDerWaalsContact OE1-OG1 3.08Å; E37-T212 WeakPolarHBondContact OE2-CB 3.37Å; E37-T212 PolarHBondContact OE2-OG1 3.23Å
38A98.2Very high97.7Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-61.9-45178.500000112.3G34 E35 R40 G41 G42 T66 Y69G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 3.05Å; E35-A38 PolarHBondContact O-N 3.29Å; A38-R40 PolarHBondContact O-N 3.5Å; A38-G41 PolarHBondContact O-N 3.25Å; A38-G42 PolarHBondContact O-N 3.42Å; A38-T66 HydrophobicContact CB-CG2 3.87Å; A38-Y69 HydrophobicContact CB-CD2 4Å; A38-Y69 HydrophobicContact CB-CG 4.33Å
39K98.3Very high97.7Very high99 Ų9952.9 Ų52.943%0.4328%0.279SS..Hα-helixtrans-61.6-42.8176.1-72.3175.8-179.7177.30112E35 K36 G42 Q43 Y69 S73E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 2.99Å; K36-K39 PolarHBondContact O-N 3.21Å; K39-G42 PolarHBondContact O-N 3.24Å; K39-Q43 PolarHBondContact O-N 2.88Å; K39-Y69 HydrophobicContact CD-CD1 4.42Å; K39-Y69 VanDerWaalsContact CE-CD1 3.47Å; K39-Y69 VanDerWaalsContact CE-CE1 3.48Å; K39-Y69 HydrophobicContact CG-CD1 4.03Å; K39-Y69 HydrophobicContact CG-CG 4.16Å; K39-S73 PolarHBondContact O-OG 3.25Å
40R97.8Very high97.7Very high90 Ų9052.2 Ų52.234%0.3427%0.274SS..Hα-helixtrans-62.8-43.3176-176.6-178.262.2-136.5-1.9111.7K36 E37 A38 G42 Q43 A44K36-R40 WeakPolarHBondContact O-CB 3.4Å; K36-R40 PolarHBondContact O-N 3.2Å; E37-R40 PolarHBondContact O-N 2.98Å; A38-R40 PolarHBondContact O-N 3.5Å; R40-G42 VanDerWaalsContact C-N 3.32Å; R40-G42 PolarHBondContact O-N 3.38Å; R40-Q43 PolarHBondContact O-N 3.34Å; R40-A44 PolarHBondContact O-N 3.44Å
41G98.1Very high97.7Very high2 Ų256.7 Ų56.72%0.02129%0.294CS..Hα-helixtrans-61-41.5174.300000112.4E37 A38 A44 L45 G213 P215E37-G41 PolarHBondContact O-N 2.94Å; A38-G41 PolarHBondContact O-N 3.25Å; G41-A44 PolarHBondContact O-N 3.48Å; G41-L45 WeakPolarHBondContact O-CG 3.07Å; G41-L45 PolarHBondContact O-N 2.88Å; G41-L45 VanDerWaalsContact O-N 3.14Å; G41-G213 WeakPolarHBondContact CA-O 3.22Å; G41-P215 VanDerWaalsContact O-CG 3.29Å; G41-P215 WeakPolarHBondContact O-CG 3.48Å
42G98.3Very high97.7Very high0 Ų056.5 Ų56.50%029%0.293CS..Hα-helixtrans-62-42.8172.300000113A38 K39 R40 L45 K46 I74A38-G42 PolarHBondContact O-N 3.42Å; K39-G42 PolarHBondContact O-N 3.24Å; R40-G42 VanDerWaalsContact C-N 3.32Å; R40-G42 PolarHBondContact O-N 3.38Å; G42-L45 PolarHBondContact O-N 2.83Å; G42-K46 PolarHBondContact O-N 2.96Å; G42-I74 VanDerWaalsContact O-CG2 3.25Å; G42-I74 WeakPolarHBondContact O-CG2 3.14Å
43Q98.1Very high97.8Very high80 Ų8051.8 Ų51.837%0.37427%0.272SS..Hα-helixtrans-63-43.3176.5-171.162.248.700111.6K39 R40 L45 K46 D47K39-Q43 PolarHBondContact O-N 2.88Å; R40-Q43 PolarHBondContact O-N 3.34Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 2.9Å; Q43-K46 WeakPolarHBondContact O-CB 3.38Å; Q43-K46 PolarHBondContact O-N 2.98Å; Q43-K46 VanDerWaalsContact O-N 3.08Å; Q43-D47 PolarHBondContact NE2-OD1 3.25Å; Q43-D47 PolarHBondContact O-N 3.06Å
44A98Very high98Very high14 Ų1450.2 Ų50.212%0.11626%0.259CS..Hα-helixtrans-60.3-37.6176.600000112.5R40 G41 A48 L233R40-A44 PolarHBondContact O-N 3.44Å; G41-A44 PolarHBondContact O-N 3.48Å; A44-A48 WeakPolarHBondContact O-CB 3.42Å; A44-A48 PolarHBondContact O-N 2.8Å; A44-L233 HydrophobicContact CB-CB 4.35Å
45L98.4Very high98Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-66.8-41.9173.4-72.9168.4000112V7 G41 G42 Q43 A48 G49 Y50 F52 V70 I74 P215 L233V7-L45 HydrophobicContact CG1-CD1 4.41Å; V7-L45 HydrophobicContact CG1-CD2 4Å; V7-L45 HydrophobicContact CG2-CD2 4.34Å; G41-L45 WeakPolarHBondContact O-CG 3.07Å; G41-L45 PolarHBondContact O-N 2.88Å; G41-L45 VanDerWaalsContact O-N 3.14Å; G42-L45 PolarHBondContact O-N 2.83Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 2.9Å; L45-A48 PolarHBondContact O-N 2.91Å; L45-G49 PolarHBondContact O-N 3.22Å; L45-Y50 HydrophobicContact CD2-CD1 4.28Å; L45-Y50 HydrophobicContact CD2-CD2 3.95Å; L45-Y50 HydrophobicContact CD2-CG 3.78Å; L45-Y50 PolarHBondContact O-N 3.22Å; L45-F52 HydrophobicContact CD1-CE2 4.16Å; L45-F52 HydrophobicContact CD1-CZ 4.15Å; L45-F52 HydrophobicContact CD2-CZ 4.03Å; L45-V70 HydrophobicContact CD1-CG1 3.71Å; L45-I74 HydrophobicContact CB-CG2 3.9Å; L45-P215 HydrophobicContact CD1-CB 4.17Å; L45-P215 HydrophobicContact CD1-CG 3.95Å; L45-P215 HydrophobicContact CD2-CB 3.95Å; L45-P215 HydrophobicContact CD2-CG 4.25Å; L45-P215 HydrophobicContact CG-CB 4.01Å; L45-P215 HydrophobicContact CG-CG 3.76Å; L45-L233 HydrophobicContact CD2-CD1 3.61Å
46K98.1Very high98.1Very high104 Ų10447.9 Ų47.945%0.45225%0.248SC..Hα-helixtrans-60.2-50.6176.4-165.7-169-162.2137.50111.4G42 Q43 A48 G49 S73 I74G42-K46 PolarHBondContact O-N 2.96Å; Q43-K46 WeakPolarHBondContact O-CB 3.38Å; Q43-K46 PolarHBondContact O-N 2.98Å; Q43-K46 VanDerWaalsContact O-N 3.08Å; K46-A48 PolarHBondContact O-N 2.91Å; K46-G49 PolarHBondContact O-N 2.98Å; K46-S73 VanDerWaalsContact CD-O 3.28Å; K46-S73 WeakPolarHBondContact CD-O 3.14Å; K46-S73 WeakPolarHBondContact CE-O 3.39Å; K46-S73 PolarHBondContact NZ-O 3.17Å; K46-I74 HydrophobicContact CB-CG2 4.09Å
47D97.2Very high98.2Very high123 Ų12341.3 Ų41.366%0.65822%0.219SC*.Hα-helixtrans-63.3-33.4-177.2-65-19.3000111.5Q43 G49Q43-D47 PolarHBondContact NE2-OD1 3.25Å; Q43-D47 PolarHBondContact O-N 3.06Å; D47-G49 VanDerWaalsContact C-N 3.27Å; D47-G49 PolarHBondContact O-N 3.43Å
48A97.1Very high98.2Very high56 Ų5639.6 Ų39.646%0.46321%0.211SC..THydrogen-bonded Turntrans-84.34.4174.900000113.9A44 L45 K46 Y50A44-A48 WeakPolarHBondContact O-CB 3.42Å; A44-A48 PolarHBondContact O-N 2.8Å; L45-A48 PolarHBondContact O-N 2.91Å; K46-A48 PolarHBondContact O-N 2.91Å; A48-Y50 HydrophobicContact CB-CD2 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.68Å; A48-Y50 PolarHBondContact O-N 2.89Å
49G97.3Very high98.3Very high60 Ų6040.9 Ų40.962%0.61922%0.219SC*.THydrogen-bonded Turntrans68.830.6175.400000114.4L45 K46 D47L45-G49 PolarHBondContact O-N 3.22Å; K46-G49 PolarHBondContact O-N 2.98Å; D47-G49 VanDerWaalsContact C-N 3.27Å; D47-G49 PolarHBondContact O-N 3.43Å
50Y98Very high98.3Very high34 Ų3436.1 Ų36.113%0.13320%0.198CC..  trans-76.8131.9177.5-80.7-98.2000111.9K5 V7 L45 A48 F52 Q76 V217 L233K5-Y50 HydrophobicContact CD-CE1 4.45Å; V7-Y50 HydrophobicContact CG2-CD1 3.88Å; V7-Y50 HydrophobicContact CG2-CE1 3.87Å; L45-Y50 HydrophobicContact CD2-CD1 4.28Å; L45-Y50 HydrophobicContact CD2-CD2 3.95Å; L45-Y50 HydrophobicContact CD2-CG 3.78Å; L45-Y50 PolarHBondContact O-N 3.22Å; A48-Y50 HydrophobicContact CB-CD2 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.68Å; A48-Y50 PolarHBondContact O-N 2.89Å; Y50-F52 HydrophobicContact CD1-CE1 4.46Å; Y50-F52 HydrophobicContact CD1-CZ 4.28Å; Y50-F52 HydrophobicContact CG-CZ 4.5Å; Y50-Q76 PolarHBondContact O-NE2 3.35Å; Y50-V217 HydrophobicContact CE1-CG1 4.35Å; Y50-V217 HydrophobicContact CE1-CG2 4.22Å; Y50-V217 WeakPolarHBondContact OH-CG1 3.45Å; Y50-V217 WeakPolarHBondContact OH-CG2 3.47Å; Y50-L233 HydrophobicContact CD2-CD1 4Å; Y50-L233 HydrophobicContact CE2-CD1 3.53Å
51E98.1Very high98.3Very high108 Ų10835.6 Ų35.651%0.50520%0.198SC..  trans-122.9149.8171.1-75176.8-172.300108.9R180E51-R180 VanDerWaalsContact CB-CZ 3.45Å; E51-R180 WeakPolarHBondContact O-CB 3.39Å; E51-R180 VanDerWaalsContact O-CD 3.26Å; E51-R180 WeakPolarHBondContact O-CD 3.36Å; E51-R180 PolarHBondContact O-NE 3.28Å; E51-R180 IonicContact OE2-CZ 3.45Å; E51-R180 IonicContact OE2-NH1 2.71Å; E51-R180 PolarHBondContact OE2-NH1 2.73Å; E51-R180 IonicContact OE2-NH2 3.32Å; E51-R180 PolarHBondContact OE2-NH2 3.05Å
52F98.8Very high98.3Very high3 Ų335.6 Ų35.61%0.01320%0.197CC..  trans-128.7160.4-177.7-58.2-74.8000111.1V7 L45 Y50 I74 L79 R180 L182V7-F52 HydrophobicContact CB-CE1 3.74Å; V7-F52 HydrophobicContact CB-CZ 3.97Å; V7-F52 HydrophobicContact CG1-CZ 4.31Å; V7-F52 HydrophobicContact CG2-CE1 3.58Å; V7-F52 HydrophobicContact CG2-CZ 3.81Å; L45-F52 HydrophobicContact CD1-CE2 4.16Å; L45-F52 HydrophobicContact CD1-CZ 4.15Å; L45-F52 HydrophobicContact CD2-CZ 4.03Å; Y50-F52 HydrophobicContact CD1-CE1 4.46Å; Y50-F52 HydrophobicContact CD1-CZ 4.28Å; Y50-F52 HydrophobicContact CG-CZ 4.5Å; F52-I74 HydrophobicContact CD2-CD1 3.53Å; F52-I74 HydrophobicContact CE2-CD1 3.68Å; F52-L79 HydrophobicContact CB-CD1 3.62Å; F52-L79 WeakPolarHBondContact O-CD2 3.42Å; F52-R180 HydrophobicContact CD1-CB 4.42Å; F52-L182 HydrophobicContact CD1-CB 3.68Å; F52-L182 HydrophobicContact CD2-CB 4.3Å; F52-L182 HydrophobicContact CD2-CD2 4.21Å; F52-L182 HydrophobicContact CE1-CB 3.82Å; F52-L182 HydrophobicContact CE1-CD1 4.45Å; F52-L182 HydrophobicContact CE2-CB 4.43Å; F52-L182 HydrophobicContact CE2-CD2 4.1Å; F52-L182 HydrophobicContact CG-CB 3.92Å; F52-L182 HydrophobicContact CZ-CB 4.18Å; F52-L182 HydrophobicContact CZ-CD1 4.22Å; F52-L182 HydrophobicContact CZ-CD2 4.41Å
53D98.8Very high98.4Very high52 Ų5235.6 Ų35.628%0.27820%0.197SC..SBendtrans-119.7-18.3179.2-50.4-61.4000112P80 K179 R180D53-P80 WeakPolarHBondContact O-CG 3.4Å; D53-K179 HydrophobicContact CB-CB 4.06Å; D53-K179 HydrophobicContact CB-CD 4.24Å; D53-K179 HydrophobicContact CB-CG 4.15Å; D53-R180 PolarHBondContact N-O 3.46Å; D53-R180 IonicContact OD1-CZ 3.58Å; D53-R180 IonicContact OD1-NE 3.5Å; D53-R180 IonicContact OD1-NH2 2.85Å; D53-R180 PolarHBondContact OD1-NH2 3.39Å; D53-R180 WeakPolarHBondContact OD2-CB 3.43Å; D53-R180 IonicContact OD2-CZ 3.89Å; D53-R180 PolarHBondContact OD2-N 3.28Å; D53-R180 IonicContact OD2-NE 3.05Å; D53-R180 PolarHBondContact OD2-NE 3.29Å; D53-R180 IonicContact OD2-NH2 3.88Å
54I98.9Very high98.4Very high4 Ų432.9 Ų32.92%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-159.5143.6179.9-171.1161.5000111Y56 P80 Q174 K179 V181 L182I54-Y56 HydrophobicContact CD1-CE2 4.15Å; I54-Y56 WeakPolarHBondContact CD1-OH 3.46Å; I54-Y56 HydrophobicContact CG1-CE2 3.96Å; I54-Y56 HydrophobicContact CG2-CE2 4.04Å; I54-P80 HydrophobicContact CB-CG 4.41Å; I54-P80 HydrophobicContact CG1-CG 4.35Å; I54-Q174 HydrophobicContact CD1-CG 4.16Å; I54-Q174 HydrophobicContact CG2-CB 4.36Å; I54-K179 HydrophobicContact CB-CD 4.46Å; I54-K179 HydrophobicContact CG2-CB 4.3Å; I54-K179 HydrophobicContact CG2-CD 4.09Å; I54-V181 HydrophobicContact CG2-CB 4.45Å; I54-V181 HydrophobicContact CG2-CG1 4.48Å; I54-V181 HydrophobicContact CG2-CG2 3.78Å; I54-L182 PolarHBondContact O-N 2.83Å; I54-L182 VanDerWaalsContact O-N 3.16Å
55C98.9Very high98.5Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-124.2144.6179.8-53.50000112.1L67 P80 V81 H82 L182C55-L67 HydrophobicContact CB-CD1 3.94Å; C55-L67 HydrophobicContact CB-CD2 3.8Å; C55-L67 HydrophobicContact CB-CG 4.45Å; C55-P80 PolarHBondContact N-O 2.78Å; C55-V81 HydrophobicContact CB-CG2 4.2Å; C55-V81 WeakPolarHBondContact O-CA 3.35Å; C55-H82 PolarHBondContact O-N 2.85Å; C55-L182 CarbonylContact C-O 3.57Å; C55-L182 VanDerWaalsContact CA-O 3.28Å; C55-L182 WeakPolarHBondContact CA-O 3.39Å
56Y98.9Very high98.5Very high3 Ų336.3 Ų36.31%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-124.3140.8175.8-63.8-85.9000110.7I54 H82 F166 E170 I171 Q174 V181 L182 I183 A184I54-Y56 HydrophobicContact CD1-CE2 4.15Å; I54-Y56 WeakPolarHBondContact CD1-OH 3.46Å; I54-Y56 HydrophobicContact CG1-CE2 3.96Å; I54-Y56 HydrophobicContact CG2-CE2 4.04Å; Y56-H82 WeakPolarHBondContact CA-O 3.45Å; Y56-H82 HydrophobicContact CD1-CB 3.66Å; Y56-H82 HydrophobicContact CE1-CB 3.79Å; Y56-F166 AromaticContact CD1-CE1 3.61Å; Y56-F166 HydrophobicContact CD1-CE1 3.61Å; Y56-F166 AromaticContact CD1-CZ 3.57Å; Y56-F166 HydrophobicContact CD1-CZ 3.57Å; Y56-F166 HydrophobicContact CE1-CE1 4.09Å; Y56-F166 AromaticContact CE1-CZ 3.8Å; Y56-F166 HydrophobicContact CE1-CZ 3.8Å; Y56-F166 HydrophobicContact CG-CE1 4.34Å; Y56-E170 PolarHBondContact OH-O 3.41Å; Y56-I171 HydrophobicContact CD1-CD1 4.46Å; Y56-I171 HydrophobicContact CD1-CG1 4.19Å; Y56-I171 HydrophobicContact CD2-CD1 4.23Å; Y56-I171 HydrophobicContact CD2-CG1 4.06Å; Y56-I171 HydrophobicContact CE1-CG1 4.09Å; Y56-I171 HydrophobicContact CE2-CB 4.47Å; Y56-I171 HydrophobicContact CE2-CG1 3.97Å; Y56-I171 HydrophobicContact CE2-CG2 4.34Å; Y56-I171 HydrophobicContact CG-CD1 4.13Å; Y56-I171 HydrophobicContact CG-CG1 4.16Å; Y56-Q174 VanDerWaalsContact OH-CG 3.23Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.38Å; Y56-V181 HydrophobicContact CD2-CG1 3.65Å; Y56-V181 HydrophobicContact CE2-CG1 3.82Å; Y56-L182 PolarHBondContact N-O 3.24Å; Y56-I183 WeakPolarHBondContact O-CA 3.24Å; Y56-A184 PolarHBondContact O-N 3.09Å
57T98.9Very high98.5Very high0 Ų031.4 Ų31.40%017%0.174CC..EExtended strand (participates in β ladder)trans-148.7171.6173.4-167.50000111.8A63 I64 L67 V81 H82 R83 T84 A184T57-A63 WeakPolarHBondContact OG1-CB 3.44Å; T57-I64 HydrophobicContact CG2-CG1 3.78Å; T57-L67 HydrophobicContact CG2-CD2 4.02Å; T57-V81 HydrophobicContact CG2-CG1 4.1Å; T57-H82 PolarHBondContact N-O 2.79Å; T57-R83 HydrophobicContact CG2-CG 3.69Å; T57-R83 WeakPolarHBondContact O-CA 3.39Å; T57-T84 PolarHBondContact O-N 3.27Å; T57-A184 VanDerWaalsContact CA-O 3.22Å; T57-A184 WeakPolarHBondContact CA-O 2.99Å; T57-A184 VanDerWaalsContact CB-O 3.27Å; T57-A184 WeakPolarHBondContact CB-O 3.34Å; T57-A184 PolarHBondContact OG1-O 3.19Å
58S98.8Very high98.6Very high0 Ų031.4 Ų31.40%017%0.165CC..  trans-75.8-176.317579.60000111.6L60 A63 T84 L87 N88 H186S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact OG-N 3.14Å; S58-L60 VanDerWaalsContact OG-N 3.09Å; S58-A63 WeakPolarHBondContact OG-CB 3.32Å; S58-T84 VanDerWaalsContact CA-O 3.31Å; S58-T84 WeakPolarHBondContact CA-O 3.5Å; S58-L87 VanDerWaalsContact CB-C 3.49Å; S58-L87 WeakPolarHBondContact CB-O 3.47Å; S58-N88 WeakPolarHBondContact CB-OD1 3.48Å; S58-H186 WeakPolarHBondContact CB-NE2 3.35Å; S58-H186 PolarHBondContact OG-NE2 3.06Å
59V98.8Very high98.7Very high26 Ų2630.7 Ų30.716%0.15815%0.15CC..SBendtrans-94.412.8170-62.10000112.8R83 W85 N88 R141 Y142V59-R83 HydrophobicContact CG1-CB 4.29Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; V59-N88 VanDerWaalsContact CG2-OD1 3.26Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.26Å; V59-N88 PolarHBondContact N-OD1 3.35Å; V59-N88 VanDerWaalsContact N-OD1 3.13Å; V59-R141 HydrophobicContact CG2-CG 4.36Å; V59-R141 PolarHBondContact O-NH1 3.48Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å
60L98.8Very high98.8Very high0 Ų027.8 Ų27.80%012%0.121CC..SBendtrans-100.4129.8-179.6-57177.7000110.6D27 S58 R62 A63 I64 N88D27-L60 WeakPolarHBondContact OD1-CA 3.26Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact OG-N 3.14Å; S58-L60 VanDerWaalsContact OG-N 3.09Å; L60-R62 VanDerWaalsContact CD1-NH2 3.25Å; L60-R62 PolarHBondContact O-N 3.06Å; L60-R62 VanDerWaalsContact O-N 3.09Å; L60-A63 PolarHBondContact O-N 3.08Å; L60-I64 PolarHBondContact O-N 2.97Å; L60-N88 HydrophobicContact CD1-CB 4.2Å
61K98.6Very high98.8Very high78 Ų7826.4 Ų26.434%0.33912%0.116SC..Hα-helixtrans-56.9-35-167.273.6-177.362.5164.20113.5D27 D29 A63 I64 R65D27-K61 WeakPolarHBondContact O-CD 3.28Å; D27-K61 WeakPolarHBondContact O-CE 3.47Å; D27-K61 PolarHBondContact O-NZ 3.28Å; D27-K61 WeakPolarHBondContact OD1-CG 3.39Å; D27-K61 PolarHBondContact OD1-N 3.16Å; D27-K61 WeakPolarHBondContact OD2-CE 3.35Å; D27-K61 IonicContact OD2-NZ 3.86Å; D29-K61 HydrophobicContact CB-CD 3.79Å; D29-K61 HydrophobicContact CB-CG 4.38Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.25Å; K61-I64 PolarHBondContact O-N 2.92Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 WeakPolarHBondContact O-CG 3.36Å; K61-R65 PolarHBondContact O-N 3.13Å
62R98.7Very high98.8Very high2 Ų225.7 Ų25.71%0.00812%0.115CC..Hα-helixtrans-62-36.6178.560.6-172.1-179-89.32113.8H11 C23 G24 F26 L30 L60 T66 H186H11-R62 VanDerWaalsContact CE1-CD 3.46Å; H11-R62 WeakPolarHBondContact CE1-CD 3.28Å; H11-R62 PolarHBondContact NE2-NE 3.13Å; C23-R62 PolarHBondContact SG-NH1 2.85Å; G24-R62 PolarHBondContact O-NH2 3.32Å; F26-R62 PolarHBondContact O-NH1 2.94Å; L30-R62 HydrophobicContact CD2-CB 3.94Å; L30-R62 HydrophobicContact CG-CB 4.18Å; L60-R62 VanDerWaalsContact CD1-NH2 3.25Å; L60-R62 PolarHBondContact O-N 3.06Å; L60-R62 VanDerWaalsContact O-N 3.09Å; R62-T66 WeakPolarHBondContact O-CB 3.47Å; R62-T66 PolarHBondContact O-N 2.9Å; R62-T66 VanDerWaalsContact O-N 3.11Å; R62-T66 PolarHBondContact O-OG1 2.9Å; R62-H186 PolarHBondContact NE-CE1 2.63Å; R62-H186 PolarHBondContact NE-ND1 2.7Å
63A98.8Very high98.8Very high0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-76.2-41175.700000110.9T57 S58 L60 K61 T66 L67T57-A63 WeakPolarHBondContact OG1-CB 3.44Å; S58-A63 WeakPolarHBondContact OG-CB 3.32Å; L60-A63 PolarHBondContact O-N 3.08Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.25Å; A63-T66 PolarHBondContact O-N 2.8Å; A63-L67 PolarHBondContact O-N 3.48Å
64I98.9Very high98.8Very high23 Ų2324.6 Ų24.612%0.11811%0.111CC..Hα-helixtrans-60.5-49176-62166.5000111T57 L60 K61 L67 W68T57-I64 HydrophobicContact CG2-CG1 3.78Å; L60-I64 PolarHBondContact O-N 2.97Å; K61-I64 PolarHBondContact O-N 2.92Å; I64-L67 WeakPolarHBondContact O-CB 3.26Å; I64-L67 PolarHBondContact O-N 3.2Å; I64-W68 HydrophobicContact CG2-CD2 4.04Å; I64-W68 HydrophobicContact CG2-CH2 4.23Å; I64-W68 HydrophobicContact CG2-CZ2 3.7Å; I64-W68 PolarHBondContact O-N 3.48Å
65R98.8Very high98.8Very high87 Ų8730.5 Ų30.533%0.32814%0.143SC..Hα-helixtrans-65.5-37.9177.2-76.4-172.2-172.6-101.712.7112.5D29 L30 K61 L67 W68 Y69D29-R65 WeakPolarHBondContact OD1-CD 3.34Å; D29-R65 IonicContact OD1-CZ 3.93Å; D29-R65 IonicContact OD1-NE 2.88Å; D29-R65 PolarHBondContact OD1-NE 2.86Å; D29-R65 IonicContact OD2-CZ 3.9Å; D29-R65 IonicContact OD2-NE 3.79Å; D29-R65 PolarHBondContact OD2-NE 3.08Å; D29-R65 IonicContact OD2-NH2 3.34Å; D29-R65 PolarHBondContact OD2-NH2 3.22Å; L30-R65 HydrophobicContact CD1-CB 3.79Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 WeakPolarHBondContact O-CG 3.36Å; K61-R65 PolarHBondContact O-N 3.13Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.07Å; R65-W68 HydrophobicContact CG-CE3 4.36Å; R65-W68 PolarHBondContact O-N 3.44Å; R65-Y69 HydrophobicContact CB-CE2 4.45Å; R65-Y69 WeakPolarHBondContact O-CD2 3.36Å; R65-Y69 PolarHBondContact O-N 3.27Å
66T98.9Very high98.8Very high0 Ų031.3 Ų31.30%015%0.147CC..Hα-helixtrans-57.3-48.5172.5-62.60000109.7I9 H11 G12 A38 R62 A63 W68 Y69 V70I9-T66 HydrophobicContact CD1-CG2 4.22Å; I9-T66 HydrophobicContact CG1-CG2 4.48Å; I9-T66 HydrophobicContact CG2-CG2 4.5Å; H11-T66 VanDerWaalsContact CA-OG1 3.3Å; H11-T66 WeakPolarHBondContact CA-OG1 3.39Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.27Å; G12-T66 PolarHBondContact N-OG1 2.85Å; A38-T66 HydrophobicContact CB-CG2 3.87Å; R62-T66 WeakPolarHBondContact O-CB 3.47Å; R62-T66 PolarHBondContact O-N 2.9Å; R62-T66 VanDerWaalsContact O-N 3.11Å; R62-T66 PolarHBondContact O-OG1 2.9Å; A63-T66 PolarHBondContact O-N 2.8Å; T66-W68 VanDerWaalsContact C-N 3.33Å; T66-W68 PolarHBondContact O-N 3.17Å; T66-Y69 PolarHBondContact O-N 3.11Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.05Å
67L98.9Very high98.7Very high0 Ų036.8 Ų36.80%017%0.173CC..Hα-helixtrans-58.9-45.3176.6-178.858.6000111.4C55 T57 A63 I64 R65 Y69 V70 L71 V81 L182 A184C55-L67 HydrophobicContact CB-CD1 3.94Å; C55-L67 HydrophobicContact CB-CD2 3.8Å; C55-L67 HydrophobicContact CB-CG 4.45Å; T57-L67 HydrophobicContact CG2-CD2 4.02Å; A63-L67 PolarHBondContact O-N 3.48Å; I64-L67 WeakPolarHBondContact O-CB 3.26Å; I64-L67 PolarHBondContact O-N 3.2Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.07Å; L67-Y69 PolarHBondContact O-N 2.94Å; L67-V70 PolarHBondContact O-N 3.21Å; L67-L71 HydrophobicContact CD1-CD1 4.17Å; L67-L71 HydrophobicContact CD1-CD2 4.29Å; L67-L71 HydrophobicContact CD1-CG 3.95Å; L67-L71 HydrophobicContact CG-CD1 3.98Å; L67-L71 HydrophobicContact CG-CG 4.17Å; L67-L71 WeakPolarHBondContact O-CB 3.25Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.26Å; L67-V81 HydrophobicContact CD2-CB 4.44Å; L67-V81 HydrophobicContact CD2-CG1 3.51Å; L67-V81 HydrophobicContact CD2-CG2 4.07Å; L67-L182 HydrophobicContact CD1-CD2 3.5Å; L67-L182 VanDerWaalsContact CD1-CD2 3.5Å; L67-L182 HydrophobicContact CD1-CG 4.04Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.22Å; L67-A184 HydrophobicContact CG-CB 4.42Å
68W98.9Very high98.7Very high123 Ų12346 Ų4647%0.46621%0.208SC..Hα-helixtrans-59.9-46.1178.2-68.9-13.9000113I64 R65 T66 V70 L71 D72I64-W68 HydrophobicContact CG2-CD2 4.04Å; I64-W68 HydrophobicContact CG2-CH2 4.23Å; I64-W68 HydrophobicContact CG2-CZ2 3.7Å; I64-W68 PolarHBondContact O-N 3.48Å; R65-W68 HydrophobicContact CG-CE3 4.36Å; R65-W68 PolarHBondContact O-N 3.44Å; T66-W68 VanDerWaalsContact C-N 3.33Å; T66-W68 PolarHBondContact O-N 3.17Å; W68-V70 VanDerWaalsContact C-N 3.29Å; W68-V70 PolarHBondContact O-N 3.1Å; W68-L71 PolarHBondContact O-N 3.08Å; W68-D72 VanDerWaalsContact O-CB 3.32Å; W68-D72 WeakPolarHBondContact O-CB 3.5Å; W68-D72 PolarHBondContact O-N 2.85Å
69Y98.8Very high98.7Very high41 Ų4146.3 Ų46.316%0.16121%0.21CC..Hα-helixtrans-62.2-37.6175.3-73.3-51.2000112.2L30 E35 A38 K39 R65 T66 L67 S73L30-Y69 HydrophobicContact CD1-CD2 4.14Å; L30-Y69 HydrophobicContact CD1-CE2 4.05Å; E35-Y69 HydrophobicContact CB-CE2 3.88Å; E35-Y69 HydrophobicContact CG-CE2 3.7Å; E35-Y69 PolarHBondContact OE1-OH 2.84Å; E35-Y69 PolarHBondContact OE2-OH 2.86Å; A38-Y69 HydrophobicContact CB-CD2 4Å; A38-Y69 HydrophobicContact CB-CG 4.33Å; K39-Y69 HydrophobicContact CD-CD1 4.42Å; K39-Y69 VanDerWaalsContact CE-CD1 3.47Å; K39-Y69 VanDerWaalsContact CE-CE1 3.48Å; K39-Y69 HydrophobicContact CG-CD1 4.03Å; K39-Y69 HydrophobicContact CG-CG 4.16Å; R65-Y69 HydrophobicContact CB-CE2 4.45Å; R65-Y69 WeakPolarHBondContact O-CD2 3.36Å; R65-Y69 PolarHBondContact O-N 3.27Å; T66-Y69 PolarHBondContact O-N 3.11Å; L67-Y69 PolarHBondContact O-N 2.94Å; Y69-S73 PolarHBondContact O-N 3.47Å; Y69-S73 PolarHBondContact O-OG 2.72Å; Y69-S73 VanDerWaalsContact O-OG 3.11Å
70V98.8Very high98.7Very high0 Ų048 Ų480%022%0.221CC..Hα-helixtrans-64.1-48.7174.4169.20000111.1I9 L45 T66 L67 W68 D72 S73 I74 L182I9-V70 HydrophobicContact CD1-CG2 3.91Å; L45-V70 HydrophobicContact CD1-CG1 3.71Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.05Å; L67-V70 PolarHBondContact O-N 3.21Å; W68-V70 VanDerWaalsContact C-N 3.29Å; W68-V70 PolarHBondContact O-N 3.1Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 2.89Å; V70-S73 PolarHBondContact O-N 2.92Å; V70-I74 HydrophobicContact CG1-CD1 4.39Å; V70-I74 WeakPolarHBondContact O-CG1 3.22Å; V70-I74 PolarHBondContact O-N 3.49Å; V70-I74 VanDerWaalsContact O-N 3.13Å; V70-L182 HydrophobicContact CG1-CD2 3.74Å
71L98.8Very high98.7Very high4 Ų449.5 Ų49.52%0.02123%0.231CC..Hα-helixtrans-63.7-37-179.1-69.5-177.4000112.7L67 W68 I74 D75 Q76 M77 L79 V81 L182L67-L71 HydrophobicContact CD1-CD1 4.17Å; L67-L71 HydrophobicContact CD1-CD2 4.29Å; L67-L71 HydrophobicContact CD1-CG 3.95Å; L67-L71 HydrophobicContact CG-CD1 3.98Å; L67-L71 HydrophobicContact CG-CG 4.17Å; L67-L71 WeakPolarHBondContact O-CB 3.25Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.26Å; W68-L71 PolarHBondContact O-N 3.08Å; L71-I74 HydrophobicContact CD2-CD1 4.17Å; L71-D75 PolarHBondContact O-N 2.89Å; L71-D75 VanDerWaalsContact O-N 3.16Å; L71-Q76 HydrophobicContact CD2-CB 4.43Å; L71-Q76 PolarHBondContact O-N 3.07Å; L71-M77 HydrophobicContact CB-CG 4.31Å; L71-L79 HydrophobicContact CD2-CD1 3.98Å; L71-V81 HydrophobicContact CD1-CG2 3.94Å; L71-L182 HydrophobicContact CD2-CD2 4.45Å
72D98.8Very high98.7Very high94 Ų9449.9 Ų49.950%0.50323%0.234SC..Hα-helixtrans-64.8-48.3173.9-172.531.5000110.8W68 V70 I74 D75 M77W68-D72 VanDerWaalsContact O-CB 3.32Å; W68-D72 WeakPolarHBondContact O-CB 3.5Å; W68-D72 PolarHBondContact O-N 2.85Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 2.89Å; D72-I74 VanDerWaalsContact C-N 3.3Å; D72-I74 PolarHBondContact O-N 3.24Å; D72-D75 PolarHBondContact O-N 2.88Å; D72-D75 VanDerWaalsContact O-N 3.14Å; D72-M77 HydrophobicContact CB-CG 4.31Å; D72-M77 HydrophobicContact CB-SD 4.12Å
73S98.3Very high98.7Very high20 Ų2055.1 Ų55.114%0.1425%0.253CS..Hα-helixtrans-57-40.6177.8-69.50000113.4K39 K46 Y69 V70K39-S73 PolarHBondContact O-OG 3.25Å; K46-S73 VanDerWaalsContact CD-O 3.28Å; K46-S73 WeakPolarHBondContact CD-O 3.14Å; K46-S73 WeakPolarHBondContact CE-O 3.39Å; K46-S73 PolarHBondContact NZ-O 3.17Å; Y69-S73 PolarHBondContact O-N 3.47Å; Y69-S73 PolarHBondContact O-OG 2.72Å; Y69-S73 VanDerWaalsContact O-OG 3.11Å; V70-S73 PolarHBondContact O-N 2.92Å
74I98.3Very high98.7Very high11 Ų1156 Ų566%0.05626%0.258CS..THydrogen-bonded Turntrans-92.16.2-177.471.5-177.8000113.9G42 L45 K46 F52 V70 L71 D72 Q76G42-I74 VanDerWaalsContact O-CG2 3.25Å; G42-I74 WeakPolarHBondContact O-CG2 3.14Å; L45-I74 HydrophobicContact CB-CG2 3.9Å; K46-I74 HydrophobicContact CB-CG2 4.09Å; F52-I74 HydrophobicContact CD2-CD1 3.53Å; F52-I74 HydrophobicContact CE2-CD1 3.68Å; V70-I74 HydrophobicContact CG1-CD1 4.39Å; V70-I74 WeakPolarHBondContact O-CG1 3.22Å; V70-I74 PolarHBondContact O-N 3.49Å; V70-I74 VanDerWaalsContact O-N 3.13Å; L71-I74 HydrophobicContact CD2-CD1 4.17Å; D72-I74 VanDerWaalsContact C-N 3.3Å; D72-I74 PolarHBondContact O-N 3.24Å; I74-Q76 HydrophobicContact CD1-CB 4.11Å; I74-Q76 HydrophobicContact CD1-CG 4.38Å; I74-Q76 HydrophobicContact CG1-CB 3.85Å; I74-Q76 HydrophobicContact CG1-CG 4.07Å; I74-Q76 WeakPolarHBondContact O-CG 3.08Å; I74-Q76 PolarHBondContact O-N 2.86Å; I74-Q76 PolarHBondContact O-NE2 2.91Å; I74-Q76 VanDerWaalsContact O-NE2 3.13Å
75D98.6Very high98.7Very high129 Ų12956.2 Ų56.269%0.6926%0.258SS*.THydrogen-bonded Turntrans55.542.5-179.1-164.326.4000114.5L71 D72L71-D75 PolarHBondContact O-N 2.89Å; L71-D75 VanDerWaalsContact O-N 3.16Å; D72-D75 PolarHBondContact O-N 2.88Å; D72-D75 VanDerWaalsContact O-N 3.14Å
76Q98.7Very high98.7Very high17 Ų1755.1 Ų55.18%0.07925%0.254CS..  trans-130.133.1-177-66.7164.564.200112.4Y50 L71 I74 W78 L79Y50-Q76 PolarHBondContact O-NE2 3.35Å; L71-Q76 HydrophobicContact CD2-CB 4.43Å; L71-Q76 PolarHBondContact O-N 3.07Å; I74-Q76 HydrophobicContact CD1-CB 4.11Å; I74-Q76 HydrophobicContact CD1-CG 4.38Å; I74-Q76 HydrophobicContact CG1-CB 3.85Å; I74-Q76 HydrophobicContact CG1-CG 4.07Å; I74-Q76 WeakPolarHBondContact O-CG 3.08Å; I74-Q76 PolarHBondContact O-N 2.86Å; I74-Q76 PolarHBondContact O-NE2 2.91Å; I74-Q76 VanDerWaalsContact O-NE2 3.13Å; Q76-W78 PolarHBondContact O-N 3.3Å; Q76-W78 VanDerWaalsContact O-N 3.1Å; Q76-L79 HydrophobicContact CB-CD1 3.63Å; Q76-L79 HydrophobicContact CB-CG 3.91Å; Q76-L79 HydrophobicContact CG-CD1 4.39Å; Q76-L79 WeakPolarHBondContact O-CB 3.46Å; Q76-L79 WeakPolarHBondContact O-CG 3.35Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-L79 VanDerWaalsContact O-N 3.11Å
77M98.6Very high98.7Very high117 Ų11755.2 Ų55.258%0.57625%0.254SS*.THydrogen-bonded Turntrans-60.1-20.4178.2-66.7-172.473.600114.2L71 D72 L79L71-M77 HydrophobicContact CB-CG 4.31Å; D72-M77 HydrophobicContact CB-CG 4.31Å; D72-M77 HydrophobicContact CB-SD 4.12Å; M77-L79 PolarHBondContact O-N 3.33Å
78W98.6Very high98.7Very high193 Ų19355.2 Ų55.273%0.73125%0.254SS*.THydrogen-bonded Turntrans-75.7-9.1178.658.9-93.5000113.6Q76Q76-W78 PolarHBondContact O-N 3.3Å; Q76-W78 VanDerWaalsContact O-N 3.1Å
79L98.8Very high98.6Very high8 Ų850 Ų504%0.04224%0.235CC..SBendtrans-63145.9-178.2-72.6177.1000112.8F52 L71 Q76 M77 V81F52-L79 HydrophobicContact CB-CD1 3.62Å; F52-L79 WeakPolarHBondContact O-CD2 3.42Å; L71-L79 HydrophobicContact CD2-CD1 3.98Å; Q76-L79 HydrophobicContact CB-CD1 3.63Å; Q76-L79 HydrophobicContact CB-CG 3.91Å; Q76-L79 HydrophobicContact CG-CD1 4.39Å; Q76-L79 WeakPolarHBondContact O-CB 3.46Å; Q76-L79 WeakPolarHBondContact O-CG 3.35Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-L79 VanDerWaalsContact O-N 3.11Å; M77-L79 PolarHBondContact O-N 3.33Å; L79-V81 PolarHBondContact O-N 3.38Å
80P98.8Very high98.5Very high60 Ų6048 Ų4839%0.3923%0.227SC..  trans-65.2127.8174.226.5-32.3000110.8D53 I54 C55D53-P80 WeakPolarHBondContact O-CG 3.4Å; I54-P80 HydrophobicContact CB-CG 4.41Å; I54-P80 HydrophobicContact CG1-CG 4.35Å; C55-P80 PolarHBondContact N-O 2.78Å
81V98.9Very high98.5Very high32 Ų3248 Ų4819%0.19423%0.227CC..EExtended strand (participates in β ladder)trans-116.6117.3179.5-1790000110.9C55 T57 L67 L71 L79 R83C55-V81 HydrophobicContact CB-CG2 4.2Å; C55-V81 WeakPolarHBondContact O-CA 3.35Å; T57-V81 HydrophobicContact CG2-CG1 4.1Å; L67-V81 HydrophobicContact CD2-CB 4.44Å; L67-V81 HydrophobicContact CD2-CG1 3.51Å; L67-V81 HydrophobicContact CD2-CG2 4.07Å; L71-V81 HydrophobicContact CD1-CG2 3.94Å; L79-V81 PolarHBondContact O-N 3.38Å; V81-R83 HydrophobicContact CG1-CG 4.46Å; V81-R83 PolarHBondContact O-NH1 2.76Å
82H98.8Very high98.4Very high87 Ų8748.9 Ų48.940%0.40323%0.231SC..EExtended strand (participates in β ladder)trans-100.6132.2175.3-62.4-93000110.9C55 Y56 T57C55-H82 PolarHBondContact O-N 2.85Å; Y56-H82 WeakPolarHBondContact CA-O 3.45Å; Y56-H82 HydrophobicContact CD1-CB 3.66Å; Y56-H82 HydrophobicContact CE1-CB 3.79Å; T57-H82 PolarHBondContact N-O 2.79Å
83R98.8Very high98.3Very high111 Ų11144.4 Ų44.442%0.41921%0.207SC..EExtended strand (participates in β ladder)trans-115.2136.7-178-66.6169.6-177.577.4-1.3109.7T57 V59 V81T57-R83 HydrophobicContact CG2-CG 3.69Å; T57-R83 WeakPolarHBondContact O-CA 3.39Å; V59-R83 HydrophobicContact CG1-CB 4.29Å; V81-R83 HydrophobicContact CG1-CG 4.46Å; V81-R83 PolarHBondContact O-NH1 2.76Å
84T98.7Very high98.2Very high18 Ų1844.4 Ų44.411%0.1121%0.209CC..  trans-150.1142.5177.3-178.60000112.6T57 S58 R86 L87 F166T57-T84 PolarHBondContact O-N 3.27Å; S58-T84 VanDerWaalsContact CA-O 3.31Å; S58-T84 WeakPolarHBondContact CA-O 3.5Å; T84-R86 HydrophobicContact CG2-CB 4.19Å; T84-R86 PolarHBondContact O-N 2.76Å; T84-R86 PolarHBondContact OG1-N 3.26Å; T84-L87 HydrophobicContact CG2-CB 4.01Å; T84-L87 HydrophobicContact CG2-CD1 3.92Å; T84-L87 HydrophobicContact CG2-CG 3.69Å; T84-L87 PolarHBondContact O-N 3.46Å; T84-F166 HydrophobicContact CG2-CD1 3.71Å; T84-F166 HydrophobicContact CG2-CD2 3.96Å; T84-F166 HydrophobicContact CG2-CE1 3.44Å; T84-F166 VanDerWaalsContact CG2-CE1 3.44Å; T84-F166 HydrophobicContact CG2-CE2 3.7Å; T84-F166 HydrophobicContact CG2-CG 3.96Å; T84-F166 HydrophobicContact CG2-CZ 3.44Å; T84-F166 VanDerWaalsContact CG2-CZ 3.44Å
85W98.6Very high98Very high29 Ų2944.1 Ų44.111%0.1121%0.208CC..G310 helixtrans-63.6-23.9172.175.3-92.1000112W25 V59 L87 N88 Y142 L145 Q149 R162W25-W85 HydrophobicContact CH2-CD2 4.45Å; W25-W85 AromaticContact CH2-CE3 3.63Å; W25-W85 HydrophobicContact CH2-CE3 3.63Å; W25-W85 HydrophobicContact CH2-CZ3 4.18Å; W25-W85 AromaticContact CZ2-CE3 3.87Å; W25-W85 HydrophobicContact CZ2-CE3 3.87Å; W25-W85 HydrophobicContact CZ2-CZ3 4.29Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; W85-L87 PolarHBondContact O-N 3.09Å; W85-L87 VanDerWaalsContact O-N 3.08Å; W85-N88 WeakPolarHBondContact O-CB 3.39Å; W85-N88 VanDerWaalsContact O-CG 3.29Å; W85-N88 PolarHBondContact O-N 3.39Å; W85-Y142 HydrophobicContact CB-CD1 4.27Å; W85-Y142 HydrophobicContact CB-CE1 3.97Å; W85-L145 HydrophobicContact CB-CD1 4.42Å; W85-L145 HydrophobicContact CD2-CD1 3.94Å; W85-L145 HydrophobicContact CG-CD1 3.8Å; W85-L145 HydrophobicContact CG-CD2 4.39Å; W85-L145 VanDerWaalsContact NE1-CD2 3.26Å; W85-Q149 WeakPolarHBondContact CH2-O 3.42Å; W85-Q149 HydrophobicContact CZ2-CB 4.11Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.3Å; W85-R162 HydrophobicContact CH2-CB 3.76Å; W85-R162 HydrophobicContact CH2-CG 4.12Å; W85-R162 HydrophobicContact CZ3-CB 3.99Å; W85-R162 HydrophobicContact CZ3-CG 3.81Å
86R98.4Very high97.9Very high64 Ų6438 Ų3824%0.24218%0.176CC..G310 helixtrans-64.2-14.3177.6-65.7-178.3177.4-82.72.4113.2T84 R162 A163 F166T84-R86 HydrophobicContact CG2-CB 4.19Å; T84-R86 PolarHBondContact O-N 2.76Å; T84-R86 PolarHBondContact OG1-N 3.26Å; R86-R162 WeakPolarHBondContact CB-O 3.23Å; R86-R162 WeakPolarHBondContact CD-O 3.44Å; R86-R162 WeakPolarHBondContact CG-O 3.36Å; R86-R162 PolarHBondContact NH1-O 3.11Å; R86-R162 PolarHBondContact O-NH1 3.31Å; R86-A163 WeakPolarHBondContact O-CA 3.4Å; R86-A163 WeakPolarHBondContact O-CB 3.29Å; R86-F166 HydrophobicContact CB-CB 3.91Å; R86-F166 HydrophobicContact CB-CG 4.35Å; R86-F166 HydrophobicContact CG-CB 4.47Å
87L98.7Very high97.8Very high1 Ų137.5 Ų37.51%0.00517%0.174CC..G310 helixtrans-101.63.6171.4-70.5179.4000113.5S58 T84 W85 F166 I183 A185 H186 S189 I193S58-L87 VanDerWaalsContact CB-C 3.49Å; S58-L87 WeakPolarHBondContact CB-O 3.47Å; T84-L87 HydrophobicContact CG2-CB 4.01Å; T84-L87 HydrophobicContact CG2-CD1 3.92Å; T84-L87 HydrophobicContact CG2-CG 3.69Å; T84-L87 PolarHBondContact O-N 3.46Å; W85-L87 PolarHBondContact O-N 3.09Å; W85-L87 VanDerWaalsContact O-N 3.08Å; L87-F166 HydrophobicContact CD1-CD1 4.29Å; L87-F166 HydrophobicContact CD1-CE1 3.91Å; L87-F166 HydrophobicContact CD2-CD1 4.49Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; L87-I183 HydrophobicContact CD1-CG2 4.1Å; L87-I183 HydrophobicContact CD2-CG2 4.5Å; L87-A185 HydrophobicContact CB-CB 4.49Å; L87-H186 PolarHBondContact O-CD2 2.78Å; L87-H186 VanDerWaalsContact O-CD2 3.29Å; L87-S189 PolarHBondContact O-OG 2.91Å; L87-I193 HydrophobicContact CD2-CD1 4.12Å
88N98.7Very high97.6Very high0 Ų035.5 Ų35.50%017%0.165CC..SBendtrans-58.6158.7174.4-76.2-0.2000111.7W25 S58 V59 L60 W85 Y142 R162 S189W25-N88 HydrophobicContact CZ2-CB 4.24Å; S58-N88 WeakPolarHBondContact CB-OD1 3.48Å; V59-N88 VanDerWaalsContact CG2-OD1 3.26Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.26Å; V59-N88 PolarHBondContact N-OD1 3.35Å; V59-N88 VanDerWaalsContact N-OD1 3.13Å; L60-N88 HydrophobicContact CD1-CB 4.2Å; W85-N88 WeakPolarHBondContact O-CB 3.39Å; W85-N88 VanDerWaalsContact O-CG 3.29Å; W85-N88 PolarHBondContact O-N 3.39Å; N88-Y142 PolarHBondContact ND2-OH 3.07Å; N88-R162 VanDerWaalsContact O-CZ 3.31Å; N88-R162 PolarHBondContact O-NH1 2.98Å; N88-R162 PolarHBondContact O-NH2 3.11Å; N88-S189 WeakPolarHBondContact O-CB 3.36Å
89E97.9Very high97.3Very high14 Ų1427.7 Ų27.77%0.06514%0.138CC..PPolyproline II helixtrans-58162.8167.9-171.853.8-74.100111W25 H91 Y92 R162 H186 G187 N188W25-E89 PolarHBondContact NE1-O 3.34Å; E89-H91 PolarHBondContact O-N 2.85Å; E89-Y92 HydrophobicContact CG-CE2 4.46Å; E89-R162 PolarHBondContact O-NH2 3.27Å; E89-H186 HydrophobicContact CB-CB 3.66Å; E89-H186 VanDerWaalsContact CD-CB 3.5Å; E89-H186 HydrophobicContact CG-CB 4.09Å; E89-H186 PolarHBondContact N-CD2 3.03Å; E89-H186 WeakPolarHBondContact OE2-CB 3.4Å; E89-G187 PolarHBondContact OE2-N 3.05Å; E89-G187 VanDerWaalsContact OE2-N 3.15Å; E89-N188 WeakPolarHBondContact OE1-CB 3.32Å; E89-N188 PolarHBondContact OE1-N 2.74Å; E89-N188 PolarHBondContact OE1-ND2 3.47Å
90R96.8Very high96.7Very high0 Ų029 Ų290%014%0.144CC..PPolyproline II helixtrans-53.5130.1169.1179176.7176.9174.90.2110.9G24 Y92 W115 S118 V121 E154 N188G24-R90 VanDerWaalsContact CA-O 3.29Å; G24-R90 WeakPolarHBondContact CA-O 3.48Å; R90-Y92 HydrophobicContact CG-CE1 4.48Å; R90-Y92 PolarHBondContact O-N 3.09Å; R90-W115 VanDerWaalsContact CZ-O 3.27Å; R90-W115 PolarHBondContact NH1-O 3.29Å; R90-W115 PolarHBondContact NH2-O 2.96Å; R90-S118 PolarHBondContact NH1-O 2.87Å; R90-V121 PolarHBondContact NH2-O 2.82Å; R90-E154 HydrophobicContact CG-CB 4.07Å; R90-E154 WeakPolarHBondContact CG-O 3.4Å; R90-E154 PolarHBondContact NE-O 3.33Å; R90-E154 PolarHBondContact NH2-O 2.94Å; R90-N188 HydrophobicContact CB-CB 3.87Å
91H97.4Very high96.1Very high0 Ų029 Ų290%015%0.148CC..  trans-70.4108.8172.9-160.2-69.2000110.3W25 E89 G93 P151 S152 E154W25-H91 AromaticContact CD1-CD2 3.77Å; W25-H91 AromaticContact CD2-CD2 3.4Å; W25-H91 VanDerWaalsContact CD2-CD2 3.4Å; W25-H91 AromaticContact CE2-CD2 3.83Å; W25-H91 AromaticContact CE3-CD2 3.82Å; W25-H91 HydrophobicContact CG-CB 4.29Å; W25-H91 AromaticContact CG-CD2 3.36Å; E89-H91 PolarHBondContact O-N 2.85Å; H91-G93 WeakPolarHBondContact ND1-CA 3.5Å; H91-G93 PolarHBondContact ND1-N 3.01Å; H91-G93 PolarHBondContact O-N 3.37Å; H91-P151 HydrophobicContact CB-CG 4.32Å; H91-P151 PolarHBondContact CD2-O 2.98Å; H91-P151 VanDerWaalsContact CD2-O 3.31Å; H91-S152 PolarHBondContact CE1-O 3.33Å; H91-S152 VanDerWaalsContact CE1-O 3.28Å; H91-S152 PolarHBondContact ND1-O 3.36Å; H91-S152 VanDerWaalsContact ND1-O 3.1Å; H91-E154 HydrophobicContact CB-CB 4.17Å; H91-E154 HydrophobicContact CB-CG 3.81Å; H91-E154 PolarHBondContact N-OE2 2.75Å; H91-E154 PolarHBondContact O-N 2.92Å
92Y96.8Very high95.6Very high22 Ų2233.9 Ų33.99%0.08617%0.169CC..  trans-78.30.8-178.6-75.1-62.3000114.4F22 E89 R90 G94 L95 P123 N188F22-Y92 HydrophobicContact CB-CD2 4.19Å; F22-Y92 HydrophobicContact CB-CG 4.22Å; F22-Y92 AromaticContact CD1-CD1 3.78Å; F22-Y92 HydrophobicContact CD1-CD1 3.78Å; F22-Y92 HydrophobicContact CD1-CD2 4.11Å; F22-Y92 HydrophobicContact CD1-CE1 4.01Å; F22-Y92 HydrophobicContact CD1-CE2 4.33Å; F22-Y92 AromaticContact CD1-CG 3.85Å; F22-Y92 HydrophobicContact CD1-CG 3.85Å; F22-Y92 HydrophobicContact CE1-CD1 4.26Å; F22-Y92 HydrophobicContact CE1-CE1 4.3Å; F22-Y92 HydrophobicContact CG-CG 4.47Å; E89-Y92 HydrophobicContact CG-CE2 4.46Å; R90-Y92 HydrophobicContact CG-CE1 4.48Å; R90-Y92 PolarHBondContact O-N 3.09Å; Y92-G94 PolarHBondContact O-N 2.74Å; Y92-L95 WeakPolarHBondContact O-CB 3.44Å; Y92-L95 PolarHBondContact O-N 3.3Å; Y92-L95 VanDerWaalsContact O-N 3.11Å; Y92-P123 WeakPolarHBondContact O-CB 3.38Å; Y92-P123 WeakPolarHBondContact O-CG 3.45Å; Y92-N188 PolarHBondContact OH-ND2 3.43Å
93G96.6Very high95.1Very high0 Ų030 Ų300%015%0.152CC..G310 helixtrans58.2-135174.700000112.1H91 L95 T96 P124 M126 S152H91-G93 WeakPolarHBondContact ND1-CA 3.5Å; H91-G93 PolarHBondContact ND1-N 3.01Å; H91-G93 PolarHBondContact O-N 3.37Å; G93-L95 PolarHBondContact O-N 3.31Å; G93-L95 VanDerWaalsContact O-N 3.09Å; G93-T96 VanDerWaalsContact O-CB 3.24Å; G93-T96 WeakPolarHBondContact O-CB 3.46Å; G93-T96 PolarHBondContact O-N 3.5Å; G93-T96 PolarHBondContact O-OG1 2.95Å; G93-P124 CarbonylContact C-O 3.33Å; G93-P124 WeakPolarHBondContact CA-O 3.5Å; G93-M126 WeakPolarHBondContact O-CE 3.33Å; G93-S152 WeakPolarHBondContact CA-O 3.25Å
94G96.1Very high94.6Very high19 Ų1925.6 Ų25.620%0.19614%0.139CC..G310 helixtrans-66.2-5.4179.200000114.8Y92 T96 P124Y92-G94 PolarHBondContact O-N 2.74Å; G94-T96 VanDerWaalsContact C-N 3.31Å; G94-P124 PolarHBondContact N-O 2.95Å
95L95.3Very high93.9Very high6 Ų629.1 Ų29.13%0.03117%0.17CC..G310 helixtrans-81.7-12.8170.4-54.7-179.8000112.7F22 Y92 G93 G97 L98 T103 W115 P123F22-L95 HydrophobicContact CB-CB 4.42Å; F22-L95 VanDerWaalsContact CB-O 3.32Å; F22-L95 WeakPolarHBondContact CB-O 3.46Å; F22-L95 HydrophobicContact CD2-CB 4.06Å; F22-L95 HydrophobicContact CE1-CD1 4.37Å; F22-L95 HydrophobicContact CE2-CB 4.41Å; F22-L95 HydrophobicContact CG-CB 4.13Å; F22-L95 HydrophobicContact CZ-CD1 4.25Å; Y92-L95 WeakPolarHBondContact O-CB 3.44Å; Y92-L95 PolarHBondContact O-N 3.3Å; Y92-L95 VanDerWaalsContact O-N 3.11Å; G93-L95 PolarHBondContact O-N 3.31Å; G93-L95 VanDerWaalsContact O-N 3.09Å; L95-G97 PolarHBondContact O-N 3.28Å; L95-L98 HydrophobicContact CD2-CD1 4.22Å; L95-L98 WeakPolarHBondContact O-CB 3.05Å; L95-L98 WeakPolarHBondContact O-CG 3.01Å; L95-L98 PolarHBondContact O-N 3.48Å; L95-T103 HydrophobicContact CD2-CG2 4.34Å; L95-W115 HydrophobicContact CD1-CB 3.89Å; L95-W115 HydrophobicContact CD1-CD2 3.97Å; L95-W115 HydrophobicContact CD1-CE3 3.76Å; L95-W115 HydrophobicContact CD1-CG 4.07Å; L95-W115 HydrophobicContact CD2-CE3 4.06Å; L95-W115 HydrophobicContact CD2-CZ3 4.03Å; L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 3.98Å
96T96.9Very high93.2Very high1 Ų135.8 Ų35.81%0.00620%0.199CC..THydrogen-bonded Turntrans-58.4124.9-173.7-57.30000111.4W16 F22 F26 G93 G94 L98 M126 H130 I136W16-T96 HydrophobicContact CZ3-CG2 4.1Å; F22-T96 WeakPolarHBondContact O-CA 3.43Å; F26-T96 HydrophobicContact CB-CG2 4.06Å; G93-T96 VanDerWaalsContact O-CB 3.24Å; G93-T96 WeakPolarHBondContact O-CB 3.46Å; G93-T96 PolarHBondContact O-N 3.5Å; G93-T96 PolarHBondContact O-OG1 2.95Å; G94-T96 VanDerWaalsContact C-N 3.31Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-M126 HydrophobicContact CG2-CE 4.04Å; T96-M126 WeakPolarHBondContact OG1-CE 3.49Å; T96-H130 PolarHBondContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 3.35Å; T96-I136 HydrophobicContact CG2-CD1 3.9Å
97G95.5Very high92.6Very high5 Ų536.8 Ų36.85%0.05221%0.207CC..THydrogen-bonded Turntrans87.7-12.5-178.900000115.3R21 F22 L95R21-G97 WeakPolarHBondContact CD-O 3.29Å; R21-G97 PolarHBondContact NH1-O 2.97Å; F22-G97 PolarHBondContact O-N 3.23Å; L95-G97 PolarHBondContact O-N 3.28Å
98L94.1Very high92Very high75 Ų7538.3 Ų38.339%0.39322%0.223SC..  trans-72143.8173.4-56.6-176.1000110.9R21 F22 L95 T96 T103R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.25Å; R21-L98 WeakPolarHBondContact CA-O 3.33Å; F22-L98 HydrophobicContact CD2-CB 4.43Å; F22-L98 WeakPolarHBondContact CD2-O 3.1Å; F22-L98 PolarHBondContact N-O 3.14Å; L95-L98 HydrophobicContact CD2-CD1 4.22Å; L95-L98 WeakPolarHBondContact O-CB 3.05Å; L95-L98 WeakPolarHBondContact O-CG 3.01Å; L95-L98 PolarHBondContact O-N 3.48Å; T96-L98 VanDerWaalsContact C-N 3.33Å; L98-T103 WeakPolarHBondContact CB-OG1 3.46Å
99N92.6Very high91.2Very high30 Ų3044.3 Ų44.316%0.1625%0.251CS..BIsolated β-bridgetrans-72.3134.3170.2-174.6-70.6000109.8E19 A101 E102 T103E19-N99 PolarHBondContact O-ND2 2.91Å; N99-A101 PolarHBondContact O-N 3.41Å; N99-A101 WeakPolarHBondContact OD1-CB 3.05Å; N99-A101 PolarHBondContact OD1-N 3.33Å; N99-E102 HydrophobicContact CB-CB 4.09Å; N99-E102 HydrophobicContact CB-CG 3.89Å; N99-E102 VanDerWaalsContact CB-OE2 3.3Å; N99-E102 WeakPolarHBondContact CB-OE2 3.18Å; N99-E102 PolarHBondContact O-N 3.15Å; N99-E102 PolarHBondContact OD1-N 3.31Å; N99-T103 WeakPolarHBondContact O-CB 3.38Å; N99-T103 PolarHBondContact O-N 3.3Å; N99-T103 PolarHBondContact O-OG1 2.94Å
100K87.1Confident90.6Very high36 Ų3647.2 Ų47.216%0.15728%0.277CS..Hα-helixtrans-66-36.7-176.2-68.5168.9-175.6164.50112.9N20 R21 F22 A104N20-K100 WeakPolarHBondContact O-CB 3.38Å; N20-K100 WeakPolarHBondContact O-CG 3.34Å; N20-K100 PolarHBondContact O-N 3.01Å; N20-K100 WeakPolarHBondContact OD1-CD 3.37Å; R21-K100 WeakPolarHBondContact O-CE 3.47Å; F22-K100 HydrophobicContact CD1-CG 4.31Å; F22-K100 HydrophobicContact CD2-CG 3.77Å; F22-K100 HydrophobicContact CE1-CG 4.1Å; F22-K100 HydrophobicContact CE2-CB 4.18Å; F22-K100 HydrophobicContact CE2-CG 3.52Å; F22-K100 HydrophobicContact CG-CG 4.16Å; F22-K100 HydrophobicContact CZ-CB 4.45Å; F22-K100 HydrophobicContact CZ-CG 3.71Å; K100-A104 WeakPolarHBondContact O-CB 3.46Å; K100-A104 PolarHBondContact O-N 2.81Å
101A85.9Confident90.2Very high59 Ų5950.5 Ų50.549%0.48829%0.292SS..Hα-helixtrans-71.3-44.4179.600000110.9N99 T103 A104 A105N99-A101 PolarHBondContact O-N 3.41Å; N99-A101 WeakPolarHBondContact OD1-CB 3.05Å; N99-A101 PolarHBondContact OD1-N 3.33Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 3.2Å; A101-A104 WeakPolarHBondContact O-CB 3.41Å; A101-A104 PolarHBondContact O-N 3.38Å; A101-A105 PolarHBondContact O-N 3.04Å
102E88.2Confident89.5Confident135 Ų13550.8 Ų50.863%0.63129%0.294SS*.Hα-helixtrans-63.1-41.2175.2-62.4172.1171.800111.5N99 A104 A105 K106N99-E102 HydrophobicContact CB-CB 4.09Å; N99-E102 HydrophobicContact CB-CG 3.89Å; N99-E102 VanDerWaalsContact CB-OE2 3.3Å; N99-E102 WeakPolarHBondContact CB-OE2 3.18Å; N99-E102 PolarHBondContact O-N 3.15Å; N99-E102 PolarHBondContact OD1-N 3.31Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.29Å; E102-A105 PolarHBondContact O-N 2.88Å; E102-K106 PolarHBondContact O-N 2.86Å
103T88.6Confident88.8Confident6 Ų655.2 Ų55.24%0.03731%0.314CS..Hα-helixtrans-62-39.8175.1-530000110.8F22 L95 L98 N99 A101 K106 H107 V112 W115F22-T103 HydrophobicContact CE2-CG2 4.34Å; L95-T103 HydrophobicContact CD2-CG2 4.34Å; L98-T103 WeakPolarHBondContact CB-OG1 3.46Å; N99-T103 WeakPolarHBondContact O-CB 3.38Å; N99-T103 PolarHBondContact O-N 3.3Å; N99-T103 PolarHBondContact O-OG1 2.94Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 3.2Å; T103-K106 PolarHBondContact O-N 2.93Å; T103-H107 WeakPolarHBondContact O-CB 3.41Å; T103-H107 PolarHBondContact O-CD2 2.79Å; T103-H107 PolarHBondContact O-N 3.36Å; T103-V112 HydrophobicContact CG2-CG2 3.75Å; T103-W115 HydrophobicContact CG2-CZ3 4.18Å
104A87.3Confident88.2Confident18 Ų1858.5 Ų58.515%0.14933%0.331CS..Hα-helixtrans-68.3-38.1176.900000112.2K100 A101 E102 K106 G108 E109 V112K100-A104 WeakPolarHBondContact O-CB 3.46Å; K100-A104 PolarHBondContact O-N 2.81Å; A101-A104 WeakPolarHBondContact O-CB 3.41Å; A101-A104 PolarHBondContact O-N 3.38Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.29Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 2.98Å; A104-G108 CarbonylContact O-C 3.52Å; A104-G108 WeakPolarHBondContact O-CA 3.43Å; A104-G108 PolarHBondContact O-N 2.87Å; A104-E109 HydrophobicContact CB-CG 4.32Å; A104-V112 HydrophobicContact CB-CB 4.33Å; A104-V112 HydrophobicContact CB-CG2 4.09Å
105A84.5Confident87.7Confident92 Ų9258.9 Ų58.976%0.7633%0.326SS*.Hα-helixtrans-63.5-36.6173.800000112.2A101 E102A101-A105 PolarHBondContact O-N 3.04Å; E102-A105 PolarHBondContact O-N 2.88Å
106K84.7Confident86.9Confident168 Ų16861.9 Ų61.973%0.7334%0.337SS*.Hα-helixtrans-81.1-40.5-178.9-174.4176.6177.3-176.90114.1E102 T103 A104E102-K106 PolarHBondContact O-N 2.86Å; T103-K106 PolarHBondContact O-N 2.93Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 2.98Å
107H84.6Confident86Confident85 Ų8562.7 Ų62.739%0.39434%0.34SS..Hα-helixtrans-110.4-3.6-171-64-77.6000113.9T103 Q111 W115T103-H107 WeakPolarHBondContact O-CB 3.41Å; T103-H107 PolarHBondContact O-CD2 2.79Å; T103-H107 PolarHBondContact O-N 3.36Å; H107-Q111 VanDerWaalsContact O-CB 3.31Å; H107-Q111 WeakPolarHBondContact O-CB 3.2Å; H107-W115 HydrophobicContact CB-CH2 4.08Å; H107-W115 HydrophobicContact CB-CZ3 3.96Å; H107-W115 AromaticContact CG-CH2 3.94Å
108G86.1Confident85.5Confident33 Ų3363.1 Ų63.134%0.3434%0.342SS..  trans84.7144.4-174.600000113A104 A110 Q111 V112A104-G108 CarbonylContact O-C 3.52Å; A104-G108 WeakPolarHBondContact O-CA 3.43Å; A104-G108 PolarHBondContact O-N 2.87Å; G108-A110 VanDerWaalsContact C-N 3.31Å; G108-A110 PolarHBondContact O-N 3.04Å; G108-Q111 PolarHBondContact O-N 3Å; G108-V112 PolarHBondContact O-N 3.24Å; G108-V112 VanDerWaalsContact O-N 3.17Å
109E82.5Confident85.2Confident127 Ų12760.3 Ų60.359%0.59333%0.327SS*.Hα-helixtrans-61.8-37.5-178.8-65-166.8155.600113A104 Q111 V112 K113A104-E109 HydrophobicContact CB-CG 4.32Å; E109-Q111 PolarHBondContact O-N 3.05Å; E109-V112 PolarHBondContact O-N 3.31Å; E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.34Å; E109-K113 PolarHBondContact O-N 3.22Å
110A86.1Confident85.2Confident74 Ų7463.3 Ų63.361%0.61234%0.343SS*.Hα-helixtrans-60.6-45.317900000111.3G108 K113 I114G108-A110 VanDerWaalsContact C-N 3.31Å; G108-A110 PolarHBondContact O-N 3.04Å; A110-K113 PolarHBondContact O-N 2.79Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 2.92Å
111Q86.6Confident85.4Confident70 Ų7064.2 Ų64.233%0.32735%0.352SS..Hα-helixtrans-66.8-43179.1-172.358.950.500111.8H107 G108 E109 K113 I114 W115H107-Q111 VanDerWaalsContact O-CB 3.31Å; H107-Q111 WeakPolarHBondContact O-CB 3.2Å; G108-Q111 PolarHBondContact O-N 3Å; E109-Q111 PolarHBondContact O-N 3.05Å; Q111-K113 VanDerWaalsContact C-N 3.3Å; Q111-K113 PolarHBondContact O-N 2.75Å; Q111-I114 WeakPolarHBondContact O-CB 3.43Å; Q111-I114 PolarHBondContact O-N 2.79Å; Q111-W115 HydrophobicContact CG-CD2 4.14Å; Q111-W115 HydrophobicContact CG-CE3 4.18Å; Q111-W115 HydrophobicContact CG-CH2 3.64Å; Q111-W115 HydrophobicContact CG-CZ2 3.59Å; Q111-W115 HydrophobicContact CG-CZ3 3.94Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.12Å; Q111-W115 PolarHBondContact O-N 3.49Å
112V82.6Confident85.8Confident6 Ų664 Ų644%0.03635%0.345CS..Hα-helixtrans-65.7-35.8176.3172.40000111.5F22 T103 A104 G108 E109 W115 R116F22-V112 HydrophobicContact CZ-CG1 4.19Å; T103-V112 HydrophobicContact CG2-CG2 3.75Å; A104-V112 HydrophobicContact CB-CB 4.33Å; A104-V112 HydrophobicContact CB-CG2 4.09Å; G108-V112 PolarHBondContact O-N 3.24Å; G108-V112 VanDerWaalsContact O-N 3.17Å; E109-V112 PolarHBondContact O-N 3.31Å; V112-W115 HydrophobicContact CG2-CE3 4.23Å; V112-W115 HydrophobicContact CG2-CZ3 4.33Å; V112-W115 PolarHBondContact O-N 3.29Å; V112-R116 HydrophobicContact CG1-CG 4.25Å; V112-R116 VanDerWaalsContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CB 3.28Å; V112-R116 VanDerWaalsContact O-CG 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.3Å; V112-R116 PolarHBondContact O-N 3.39Å
113K82.3Confident86.1Confident114 Ų11457.8 Ų57.850%0.49632%0.317SS..Hα-helixtrans-63.2-42.7172.8-171.4178.1179.3-177.40110.8E109 A110 Q111 R116 R117E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.34Å; E109-K113 PolarHBondContact O-N 3.22Å; A110-K113 PolarHBondContact O-N 2.79Å; Q111-K113 VanDerWaalsContact C-N 3.3Å; Q111-K113 PolarHBondContact O-N 2.75Å; K113-R116 PolarHBondContact O-N 3.11Å; K113-R117 WeakPolarHBondContact O-CB 3.29Å; K113-R117 PolarHBondContact O-N 3.47Å
114I85.1Confident86.4Confident69 Ų6960.1 Ų60.135%0.35433%0.332SS..Hα-helixtrans-57.6-54.8173.5-68.9165.9000109.8A110 Q111 R116 R117 S118 V121A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 2.92Å; Q111-I114 WeakPolarHBondContact O-CB 3.43Å; Q111-I114 PolarHBondContact O-N 2.79Å; I114-R116 VanDerWaalsContact C-N 3.25Å; I114-R116 PolarHBondContact O-N 3Å; I114-R117 PolarHBondContact O-N 2.65Å; I114-S118 WeakPolarHBondContact O-CA 3.41Å; I114-S118 WeakPolarHBondContact O-CB 3.41Å; I114-S118 PolarHBondContact O-N 3.4Å; I114-V121 HydrophobicContact CG2-CB 3.92Å; I114-V121 HydrophobicContact CG2-CG1 3.82Å; I114-V121 HydrophobicContact CG2-CG2 4.21Å
115W84.7Confident86.8Confident28 Ų2863.1 Ų63.111%0.10635%0.349CS..Hα-helixtrans-61.5-31.8179.9-65.7-36.1000114R90 L95 T103 H107 Q111 V112 P123 P124R90-W115 VanDerWaalsContact CZ-O 3.27Å; R90-W115 PolarHBondContact NH1-O 3.29Å; R90-W115 PolarHBondContact NH2-O 2.96Å; L95-W115 HydrophobicContact CD1-CB 3.89Å; L95-W115 HydrophobicContact CD1-CD2 3.97Å; L95-W115 HydrophobicContact CD1-CE3 3.76Å; L95-W115 HydrophobicContact CD1-CG 4.07Å; L95-W115 HydrophobicContact CD2-CE3 4.06Å; L95-W115 HydrophobicContact CD2-CZ3 4.03Å; T103-W115 HydrophobicContact CG2-CZ3 4.18Å; H107-W115 HydrophobicContact CB-CH2 4.08Å; H107-W115 HydrophobicContact CB-CZ3 3.96Å; H107-W115 AromaticContact CG-CH2 3.94Å; Q111-W115 HydrophobicContact CG-CD2 4.14Å; Q111-W115 HydrophobicContact CG-CE3 4.18Å; Q111-W115 HydrophobicContact CG-CH2 3.64Å; Q111-W115 HydrophobicContact CG-CZ2 3.59Å; Q111-W115 HydrophobicContact CG-CZ3 3.94Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.12Å; Q111-W115 PolarHBondContact O-N 3.49Å; V112-W115 HydrophobicContact CG2-CE3 4.23Å; V112-W115 HydrophobicContact CG2-CZ3 4.33Å; V112-W115 PolarHBondContact O-N 3.29Å; W115-P123 HydrophobicContact CG-CB 4.48Å; W115-P124 HydrophobicContact CZ2-CG 4.22Å
116R78.8Confident87.4Confident69 Ų6959 Ų5926%0.2632%0.315SS..Hα-helixtrans-79.7-35179.6-77179.265.6-156-3.9113.7F22 V112 K113 I114F22-R116 HydrophobicContact CE1-CG 3.64Å; F22-R116 HydrophobicContact CZ-CG 4.01Å; V112-R116 HydrophobicContact CG1-CG 4.25Å; V112-R116 VanDerWaalsContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CB 3.28Å; V112-R116 VanDerWaalsContact O-CG 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.3Å; V112-R116 PolarHBondContact O-N 3.39Å; K113-R116 PolarHBondContact O-N 3.11Å; I114-R116 VanDerWaalsContact C-N 3.25Å; I114-R116 PolarHBondContact O-N 3Å
117R77.9Confident88Confident17 Ų1755.8 Ų55.86%0.06431%0.305CS..Hα-helixtrans-124.5-25.2-165.2-66.6-168.2168.4-160.5-5.8114.6K113 I114 F119 M206 E207 N209K113-R117 WeakPolarHBondContact O-CB 3.29Å; K113-R117 PolarHBondContact O-N 3.47Å; I114-R117 PolarHBondContact O-N 2.65Å; R117-F119 PolarHBondContact O-N 3.38Å; R117-M206 WeakPolarHBondContact O-CG 3.49Å; R117-M206 VanDerWaalsContact O-SD 3.38Å; R117-E207 IonicContact NH1-OE1 3.52Å; R117-E207 IonicContact NH1-OE2 2.75Å; R117-E207 PolarHBondContact NH1-OE2 2.8Å; R117-N209 PolarHBondContact NH2-OD1 3.05Å
118S84.8Confident88.5Confident15 Ų1558.3 Ų58.311%0.10532%0.317CS..  trans-53.4137.6177.21710000110.3R90 I114 D120 V121R90-S118 PolarHBondContact NH1-O 2.87Å; I114-S118 WeakPolarHBondContact O-CA 3.41Å; I114-S118 WeakPolarHBondContact O-CB 3.41Å; I114-S118 PolarHBondContact O-N 3.4Å; S118-D120 PolarHBondContact OG-N 3.09Å; S118-D120 PolarHBondContact OG-OD1 3.24Å; S118-V121 VanDerWaalsContact OG-CB 3.3Å; S118-V121 WeakPolarHBondContact OG-CB 3.49Å; S118-V121 WeakPolarHBondContact OG-CG2 3.41Å; S118-V121 PolarHBondContact OG-N 3.23Å
119F88.3Confident89Confident16 Ų1659.8 Ų59.87%0.0733%0.333CS..SBendtrans-66.6-48.7179-178.6-110.3000111R117 S155 L156 K157 I160 K195 E202 I205R117-F119 PolarHBondContact O-N 3.38Å; F119-S155 WeakPolarHBondContact O-CB 3.35Å; F119-L156 HydrophobicContact CD2-CB 4.41Å; F119-L156 HydrophobicContact CD2-CD2 4.08Å; F119-L156 HydrophobicContact CD2-CG 4.18Å; F119-L156 CarbonylContact O-C 3.58Å; F119-L156 PolarHBondContact O-N 3.28Å; F119-L156 VanDerWaalsContact O-N 3.1Å; F119-K157 HydrophobicContact CD1-CB 4.12Å; F119-K157 HydrophobicContact CD1-CD 4.45Å; F119-K157 HydrophobicContact CE1-CB 3.78Å; F119-K157 HydrophobicContact CE1-CD 3.92Å; F119-K157 HydrophobicContact CE1-CG 3.83Å; F119-K157 HydrophobicContact CE2-CB 4.35Å; F119-K157 HydrophobicContact CZ-CB 3.89Å; F119-K157 HydrophobicContact CZ-CG 4.02Å; F119-K157 WeakPolarHBondContact O-CB 3.22Å; F119-K157 PolarHBondContact O-N 3.1Å; F119-I160 HydrophobicContact CE2-CD1 3.66Å; F119-I160 HydrophobicContact CZ-CD1 4.41Å; F119-K195 HydrophobicContact CE2-CD 3.94Å; F119-E202 HydrophobicContact CB-CB 4.33Å; F119-E202 HydrophobicContact CD1-CB 4.26Å; F119-E202 HydrophobicContact CD1-CG 3.68Å; F119-E202 WeakPolarHBondContact CD1-OE1 3.39Å; F119-E202 WeakPolarHBondContact CD1-OE2 3.36Å; F119-E202 HydrophobicContact CD2-CG 4.39Å; F119-E202 VanDerWaalsContact CE1-CD 3.44Å; F119-E202 HydrophobicContact CE1-CG 3.82Å; F119-E202 WeakPolarHBondContact CE1-OE1 3.4Å; F119-E202 HydrophobicContact CG-CB 4.15Å; F119-E202 HydrophobicContact CG-CG 3.99Å; F119-E202 HydrophobicContact CZ-CG 4.26Å; F119-I205 HydrophobicContact CD2-CG2 4.14Å
120D92.2Very high89.7Confident92 Ų9255.3 Ų55.349%0.49231%0.312SS..SBendtrans-114.3-10.5-166.765.5-19.9000114.7S118 P122 K157S118-D120 PolarHBondContact OG-N 3.09Å; S118-D120 PolarHBondContact OG-OD1 3.24Å; D120-P122 VanDerWaalsContact O-CD 3.23Å; D120-P122 WeakPolarHBondContact O-CD 3.24Å; D120-K157 HydrophobicContact CB-CD 4.24Å
121V91.7Very high90.2Very high56 Ų5658.9 Ų58.934%0.33932%0.321SS..  trans-87.4112.7177.7-177.70000110.3R90 I114 S118R90-V121 PolarHBondContact NH2-O 2.82Å; I114-V121 HydrophobicContact CG2-CB 3.92Å; I114-V121 HydrophobicContact CG2-CG1 3.82Å; I114-V121 HydrophobicContact CG2-CG2 4.21Å; S118-V121 VanDerWaalsContact OG-CB 3.3Å; S118-V121 WeakPolarHBondContact OG-CB 3.49Å; S118-V121 WeakPolarHBondContact OG-CG2 3.41Å; S118-V121 PolarHBondContact OG-N 3.23Å
122P93.9Very high90.7Very high55 Ų5558.3 Ų58.336%0.35732%0.316SS..PPolyproline II helixtrans-74.2156.3174.132.3-35.2000111.2D120D120-P122 VanDerWaalsContact O-CD 3.23Å; D120-P122 WeakPolarHBondContact O-CD 3.24Å
123P94.3Very high91.4Very high4 Ų459.3 Ų59.33%0.02632%0.319CS..PPolyproline II helixtrans-70.4170.7165.733-33.2000110.7Y92 L95 W115 C153 E154Y92-P123 WeakPolarHBondContact O-CB 3.38Å; Y92-P123 WeakPolarHBondContact O-CG 3.45Å; L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 3.98Å; W115-P123 HydrophobicContact CG-CB 4.48Å; P123-C153 HydrophobicContact CG-CB 4.01Å; P123-E154 WeakPolarHBondContact CD-O 3.5Å
124P94.8Very high92.1Very high55 Ų5559.3 Ų59.336%0.35732%0.321SS..PPolyproline II helixtrans-53.1140.9171.2-25.935.1000111.9G93 G94 W115G93-P124 CarbonylContact C-O 3.33Å; G93-P124 WeakPolarHBondContact CA-O 3.5Å; G94-P124 PolarHBondContact N-O 2.95Å; W115-P124 HydrophobicContact CZ2-CG 4.22Å
125P96.8Very high92.5Very high80 Ų8061 Ų6152%0.51933%0.331SS..PPolyproline II helixtrans-64.3151.1178.427.8-34.7000111.7
126M97.2Very high93.1Very high7 Ų759.8 Ų59.83%0.03433%0.326CS..PPolyproline II helixtrans-80.7116.6168.8-173.6176.5-68.300109.9G93 T96 H130 Y133 I136 S152G93-M126 WeakPolarHBondContact O-CE 3.33Å; T96-M126 HydrophobicContact CG2-CE 4.04Å; T96-M126 WeakPolarHBondContact OG1-CE 3.49Å; M126-H130 HydrophobicContact CG-CB 3.68Å; M126-Y133 HydrophobicContact CG-CD2 4.2Å; M126-Y133 HydrophobicContact SD-CD2 4.45Å; M126-I136 HydrophobicContact CE-CD1 3.88Å; M126-I136 HydrophobicContact SD-CD1 4.34Å; M126-S152 WeakPolarHBondContact CB-O 3.26Å; M126-S152 PolarHBondContact N-O 2.57Å
127D95.9Very high93.8Very high99 Ų9957.3 Ų57.353%0.52932%0.32SS..PPolyproline II helixtrans-86.5170.1173.565.470.1000112.7G129 H130 Y133D127-G129 PolarHBondContact O-N 3Å; D127-G129 WeakPolarHBondContact OD1-CA 3.48Å; D127-G129 PolarHBondContact OD1-N 2.82Å; D127-H130 VanDerWaalsContact O-CB 3.28Å; D127-H130 WeakPolarHBondContact O-CB 3.28Å; D127-H130 PolarHBondContact O-N 3.01Å; D127-H130 PolarHBondContact OD1-N 3.05Å; D127-Y133 WeakPolarHBondContact O-CB 3.49Å; D127-Y133 WeakPolarHBondContact O-CD2 3.35Å
128E95.8Very high94.6Very high138 Ų13862.4 Ų62.465%0.64534%0.342SS*.THydrogen-bonded Turntrans-66.6-22-178.4-53.4-162154.300114.2H130 Y133E128-H130 VanDerWaalsContact C-N 3.35Å; E128-Y133 HydrophobicContact CB-CD1 4.24Å; E128-Y133 HydrophobicContact CB-CE1 4.03Å; E128-Y133 HydrophobicContact CB-CE2 4.49Å; E128-Y133 HydrophobicContact CG-CE1 3.98Å; E128-Y133 HydrophobicContact CG-CE2 4.09Å; E128-Y133 PolarHBondContact OE1-OH 2.89Å
129G96.8Very high95.2Very high64 Ų6463.6 Ų63.666%0.6635%0.347SS*.THydrogen-bonded Turntrans-84.3-7.317700000113.6D127D127-G129 PolarHBondContact O-N 3Å; D127-G129 WeakPolarHBondContact OD1-CA 3.48Å; D127-G129 PolarHBondContact OD1-N 2.82Å
130H97.6Very high95.7Very high33 Ų3373.6 Ų73.615%0.15339%0.385CS..SBendtrans-65.5136.3178.8-173.2-91.5000111.6T96 M126 D127 E128 Y132 Y133T96-H130 PolarHBondContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 3.35Å; M126-H130 HydrophobicContact CG-CB 3.68Å; D127-H130 VanDerWaalsContact O-CB 3.28Å; D127-H130 WeakPolarHBondContact O-CB 3.28Å; D127-H130 PolarHBondContact O-N 3.01Å; D127-H130 PolarHBondContact OD1-N 3.05Å; E128-H130 VanDerWaalsContact C-N 3.35Å; H130-Y132 AromaticContact CE1-CD2 3.67Å; H130-Y132 PolarHBondContact ND1-N 2.67Å; H130-Y132 PolarHBondContact O-N 3.38Å; H130-Y133 VanDerWaalsContact O-CB 3.31Å; H130-Y133 WeakPolarHBondContact O-CB 3.45Å; H130-Y133 PolarHBondContact O-N 3.43Å
131N96.8Very high95.9Very high150 Ų15073.2 Ų73.280%0.80238%0.376SS*.THydrogen-bonded Turntrans-52.3-27-174.6-69.4-19.7000115.1
132Y97.1Very high96.2Very high58 Ų5871 Ų7123%0.22736%0.362CS..THydrogen-bonded Turntrans-107.52.1-178.7-60.7-80.2000114.1W16 F26 H130 Q134 N135 I136W16-Y132 HydrophobicContact CH2-CD1 4.12Å; W16-Y132 HydrophobicContact CH2-CD2 4.35Å; W16-Y132 AromaticContact CH2-CE1 3.63Å; W16-Y132 HydrophobicContact CH2-CE1 3.63Å; W16-Y132 AromaticContact CH2-CE2 3.89Å; W16-Y132 HydrophobicContact CH2-CE2 3.89Å; W16-Y132 HydrophobicContact CH2-CG 4.45Å; W16-Y132 AromaticContact CH2-CZ 3.5Å; W16-Y132 VanDerWaalsContact CH2-CZ 3.5Å; W16-Y132 AromaticContact CZ2-CE1 3.72Å; W16-Y132 HydrophobicContact CZ2-CE1 3.72Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.66Å; F26-Y132 AromaticContact CD2-CD1 3.6Å; F26-Y132 HydrophobicContact CD2-CD1 3.6Å; F26-Y132 AromaticContact CD2-CE1 3.98Å; F26-Y132 HydrophobicContact CD2-CE1 3.98Å; F26-Y132 HydrophobicContact CD2-CG 4.4Å; F26-Y132 AromaticContact CE2-CD1 3.68Å; F26-Y132 HydrophobicContact CE2-CD1 3.68Å; F26-Y132 AromaticContact CE2-CE1 3.72Å; F26-Y132 HydrophobicContact CE2-CE1 3.72Å; F26-Y132 HydrophobicContact CZ-CE1 4.4Å; H130-Y132 AromaticContact CE1-CD2 3.67Å; H130-Y132 PolarHBondContact ND1-N 2.67Å; H130-Y132 PolarHBondContact O-N 3.38Å; Y132-Q134 PolarHBondContact O-N 3.12Å; Y132-N135 PolarHBondContact O-N 3.36Å; Y132-I136 WeakPolarHBondContact O-CG1 3.21Å; Y132-I136 PolarHBondContact O-N 2.96Å; Y132-I136 VanDerWaalsContact O-N 3.12Å
133Y97.1Very high96.3Very high26 Ų2671.2 Ų71.210%0.10237%0.374CS..Hα-helixtrans-58.5-48.7-175.9176.7-92.9000112M126 D127 E128 H130 N135 I136 S137 K138M126-Y133 HydrophobicContact CG-CD2 4.2Å; M126-Y133 HydrophobicContact SD-CD2 4.45Å; D127-Y133 WeakPolarHBondContact O-CB 3.49Å; D127-Y133 WeakPolarHBondContact O-CD2 3.35Å; E128-Y133 HydrophobicContact CB-CD1 4.24Å; E128-Y133 HydrophobicContact CB-CE1 4.03Å; E128-Y133 HydrophobicContact CB-CE2 4.49Å; E128-Y133 HydrophobicContact CG-CE1 3.98Å; E128-Y133 HydrophobicContact CG-CE2 4.09Å; E128-Y133 PolarHBondContact OE1-OH 2.89Å; H130-Y133 VanDerWaalsContact O-CB 3.31Å; H130-Y133 WeakPolarHBondContact O-CB 3.45Å; H130-Y133 PolarHBondContact O-N 3.43Å; Y133-N135 VanDerWaalsContact C-N 3.3Å; Y133-N135 PolarHBondContact O-N 2.78Å; Y133-I136 PolarHBondContact O-N 3.24Å; Y133-S137 WeakPolarHBondContact CD2-OG 3.33Å; Y133-S137 WeakPolarHBondContact O-CB 3.28Å; Y133-S137 PolarHBondContact O-N 3.35Å; Y133-K138 HydrophobicContact CE1-CD 4.43Å; Y133-K138 VanDerWaalsContact CE1-CE 3.46Å; Y133-K138 HydrophobicContact CE1-CG 4.21Å; Y133-K138 WeakPolarHBondContact OH-CE 3.32Å; Y133-K138 PolarHBondContact OH-NZ 3Å
134Q95.9Very high96.3Very high114 Ų11478.7 Ų78.753%0.53341%0.414SS..Hα-helixtrans-61.5-39.3-179.9-62.9-62.6-27.100112Y132 I136 K138Y132-Q134 PolarHBondContact O-N 3.12Å; Q134-I136 VanDerWaalsContact C-N 3.28Å; Q134-I136 PolarHBondContact O-N 3.25Å; Q134-K138 WeakPolarHBondContact O-CB 3.09Å; Q134-K138 PolarHBondContact O-N 3.09Å
135N95.1Very high96.3Very high105 Ų10577.8 Ų77.856%0.56141%0.406SS*.Hα-helixtrans-78.6-12.9-176.5-63.113.2000113.2Y132 Y133Y132-N135 PolarHBondContact O-N 3.36Å; Y133-N135 VanDerWaalsContact C-N 3.3Å; Y133-N135 PolarHBondContact O-N 2.78Å
136I95.9Very high96.1Very high2 Ų277.2 Ų77.21%0.0140%0.401CS..Hα-helixtrans-111.9-65.7-179-65.3169.1000109.3W25 F26 T96 M126 Y132 Y133 Q134 K138 D139 Y142W25-I136 HydrophobicContact CB-CG2 3.72Å; W25-I136 HydrophobicContact CE3-CG2 4.38Å; F26-I136 HydrophobicContact CB-CD1 4.13Å; T96-I136 HydrophobicContact CG2-CD1 3.9Å; M126-I136 HydrophobicContact CE-CD1 3.88Å; M126-I136 HydrophobicContact SD-CD1 4.34Å; Y132-I136 WeakPolarHBondContact O-CG1 3.21Å; Y132-I136 PolarHBondContact O-N 2.96Å; Y132-I136 VanDerWaalsContact O-N 3.12Å; Y133-I136 PolarHBondContact O-N 3.24Å; Q134-I136 VanDerWaalsContact C-N 3.28Å; Q134-I136 PolarHBondContact O-N 3.25Å; I136-K138 VanDerWaalsContact C-N 3.28Å; I136-K138 PolarHBondContact O-N 2.93Å; I136-D139 PolarHBondContact O-N 3.48Å; I136-Y142 WeakPolarHBondContact O-CD2 3.35Å; I136-Y142 WeakPolarHBondContact O-CE2 3.34Å
137S93.8Very high95.5Very high18 Ų1880.3 Ų80.313%0.12644%0.435CS..Hα-helixtrans-73.9-15.3-171.2-51.50000113.9Y133Y133-S137 WeakPolarHBondContact CD2-OG 3.33Å; Y133-S137 WeakPolarHBondContact O-CB 3.28Å; Y133-S137 PolarHBondContact O-N 3.35Å
138K95.5Very high95.1Very high123 Ų12382.3 Ų82.354%0.53545%0.445SS..THydrogen-bonded Turntrans-114.37.9176.3-53-63-179.4-175.60113.4Y133 Q134 I136 R140Y133-K138 HydrophobicContact CE1-CD 4.43Å; Y133-K138 VanDerWaalsContact CE1-CE 3.46Å; Y133-K138 HydrophobicContact CE1-CG 4.21Å; Y133-K138 WeakPolarHBondContact OH-CE 3.32Å; Y133-K138 PolarHBondContact OH-NZ 3Å; Q134-K138 WeakPolarHBondContact O-CB 3.09Å; Q134-K138 PolarHBondContact O-N 3.09Å; I136-K138 VanDerWaalsContact C-N 3.28Å; I136-K138 PolarHBondContact O-N 2.93Å; K138-R140 PolarHBondContact O-N 3.34Å
139D97.6Very high95Very high40 Ų4078.5 Ų78.521%0.21443%0.428CS..  trans-66.4131.9174.8-172.5-55.8000110.1I136 R141 Y142I136-D139 PolarHBondContact O-N 3.48Å; D139-R141 HydrophobicContact CB-CG 4.31Å; D139-R141 PolarHBondContact O-N 2.89Å; D139-R141 WeakPolarHBondContact OD1-CB 3.4Å; D139-R141 VanDerWaalsContact OD1-CG 3.26Å; D139-R141 WeakPolarHBondContact OD1-CG 3.15Å; D139-R141 IonicContact OD1-CZ 2.62Å; D139-R141 PolarHBondContact OD1-N 3.1Å; D139-R141 IonicContact OD1-NE 2.98Å; D139-R141 PolarHBondContact OD1-NE 3.25Å; D139-R141 IonicContact OD1-NH2 2.69Å; D139-R141 IonicContact OD2-CZ 3.07Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 3.06Å; D139-R141 PolarHBondContact OD2-NE 3.32Å; D139-R141 IonicContact OD2-NH2 3.31Å; D139-R141 PolarHBondContact OD2-NH2 3.19Å; D139-Y142 HydrophobicContact CB-CD2 4.12Å; D139-Y142 HydrophobicContact CB-CE2 4.32Å; D139-Y142 PolarHBondContact O-N 3.31Å
140R97.6Very high94.9Very high227 Ų22777.3 Ų77.386%0.85741%0.406SS*.G310 helixtrans-53.2-25-178.270.4179.7-178.387.1-0.1114.2K138 Y142 G143K138-R140 PolarHBondContact O-N 3.34Å; R140-Y142 PolarHBondContact O-N 3.44Å; R140-Y142 VanDerWaalsContact O-N 3.14Å; R140-G143 PolarHBondContact O-N 3.21Å
141R97.7Very high94.8Very high84 Ų8477 Ų7732%0.31741%0.407SS..G310 helixtrans-62.9-16.6177.578-173.172.8-176.712.3113.2D27 V59 D139D27-R141 IonicContact OD1-NH1 2.85Å; D27-R141 IonicContact OD2-CZ 2.86Å; D27-R141 VanDerWaalsContact OD2-CZ 3.28Å; D27-R141 IonicContact OD2-NH1 2.78Å; D27-R141 PolarHBondContact OD2-NH1 2.97Å; D27-R141 IonicContact OD2-NH2 3.28Å; D27-R141 PolarHBondContact OD2-NH2 2.95Å; V59-R141 HydrophobicContact CG2-CG 4.36Å; V59-R141 PolarHBondContact O-NH1 3.48Å; D139-R141 HydrophobicContact CB-CG 4.31Å; D139-R141 PolarHBondContact O-N 2.89Å; D139-R141 WeakPolarHBondContact OD1-CB 3.4Å; D139-R141 VanDerWaalsContact OD1-CG 3.26Å; D139-R141 WeakPolarHBondContact OD1-CG 3.15Å; D139-R141 IonicContact OD1-CZ 2.62Å; D139-R141 PolarHBondContact OD1-N 3.1Å; D139-R141 IonicContact OD1-NE 2.98Å; D139-R141 PolarHBondContact OD1-NE 3.25Å; D139-R141 IonicContact OD1-NH2 2.69Å; D139-R141 IonicContact OD2-CZ 3.07Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 3.06Å; D139-R141 PolarHBondContact OD2-NE 3.32Å; D139-R141 IonicContact OD2-NH2 3.31Å; D139-R141 PolarHBondContact OD2-NH2 3.19Å
142Y97.6Very high94.8Very high9 Ų972.4 Ų72.44%0.03539%0.386CS..G310 helixtrans-110.18.5176.2-51-60.6000112.6W25 V59 W85 N88 I136 D139 R140 D144 L145 L150W25-Y142 AromaticContact CE3-CE1 3.86Å; W25-Y142 HydrophobicContact CE3-CE1 3.86Å; W25-Y142 AromaticContact CE3-CE2 3.99Å; W25-Y142 HydrophobicContact CE3-CE2 3.99Å; W25-Y142 AromaticContact CE3-CZ 3.53Å; W25-Y142 HydrophobicContact CH2-CE1 4.32Å; W25-Y142 AromaticContact CZ3-CD1 3.91Å; W25-Y142 HydrophobicContact CZ3-CD1 3.91Å; W25-Y142 AromaticContact CZ3-CE1 3.51Å; W25-Y142 HydrophobicContact CZ3-CE1 3.51Å; W25-Y142 HydrophobicContact CZ3-CE2 4.23Å; W25-Y142 HydrophobicContact CZ3-CG 4.42Å; W25-Y142 AromaticContact CZ3-CZ 3.69Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å; W85-Y142 HydrophobicContact CB-CD1 4.27Å; W85-Y142 HydrophobicContact CB-CE1 3.97Å; N88-Y142 PolarHBondContact ND2-OH 3.07Å; I136-Y142 WeakPolarHBondContact O-CD2 3.35Å; I136-Y142 WeakPolarHBondContact O-CE2 3.34Å; D139-Y142 HydrophobicContact CB-CD2 4.12Å; D139-Y142 HydrophobicContact CB-CE2 4.32Å; D139-Y142 PolarHBondContact O-N 3.31Å; R140-Y142 PolarHBondContact O-N 3.44Å; R140-Y142 VanDerWaalsContact O-N 3.14Å; Y142-D144 PolarHBondContact O-N 2.71Å; Y142-L145 HydrophobicContact CD1-CD1 3.81Å; Y142-L145 HydrophobicContact CG-CD1 4.38Å; Y142-L145 WeakPolarHBondContact O-CB 3.4Å; Y142-L145 PolarHBondContact O-N 2.79Å; Y142-L150 HydrophobicContact CG-CD1 4.19Å
143G95.5Very high94.8Very high59 Ų5970.9 Ų70.961%0.60838%0.384SS*.THydrogen-bonded Turntrans-62.6-24.8-173.400000114.7R140R140-G143 PolarHBondContact O-N 3.21Å
144D94.3Very high94.8Very high162 Ų16269.8 Ų69.887%0.86638%0.38SS*.THydrogen-bonded Turntrans-90.9-2.1177.8-58.2-37.4000113.1Y142Y142-D144 PolarHBondContact O-N 2.71Å
145L94.6Very high94.7Very high35 Ų3564.4 Ų64.418%0.18336%0.355CS..  trans-83.3136.1179.1-58.5-171.8000111W85 Y142 Q149 L150W85-L145 HydrophobicContact CB-CD1 4.42Å; W85-L145 HydrophobicContact CD2-CD1 3.94Å; W85-L145 HydrophobicContact CG-CD1 3.8Å; W85-L145 HydrophobicContact CG-CD2 4.39Å; W85-L145 VanDerWaalsContact NE1-CD2 3.26Å; Y142-L145 HydrophobicContact CD1-CD1 3.81Å; Y142-L145 HydrophobicContact CG-CD1 4.38Å; Y142-L145 WeakPolarHBondContact O-CB 3.4Å; Y142-L145 PolarHBondContact O-N 2.79Å; L145-Q149 HydrophobicContact CB-CB 4.07Å; L145-Q149 HydrophobicContact CD2-CB 4.38Å; L145-L150 HydrophobicContact CB-CB 4.34Å; L145-L150 HydrophobicContact CD1-CD1 4.48Å
146T92.9Very high94.6Very high68 Ų6859.5 Ų59.542%0.41733%0.328SS..  trans-74.7163.8171.156.10000111D148 Q149 L150T146-D148 WeakPolarHBondContact CB-OD1 3.5Å; T146-D148 PolarHBondContact O-N 3.39Å; T146-D148 PolarHBondContact OG1-OD1 3.44Å; T146-Q149 WeakPolarHBondContact O-CA 3.42Å; T146-Q149 WeakPolarHBondContact O-CB 3.37Å; T146-Q149 PolarHBondContact O-N 3.05Å; T146-Q149 VanDerWaalsContact OG1-CD 3.26Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.43Å; T146-Q149 PolarHBondContact OG1-OE1 3.29Å; T146-L150 PolarHBondContact O-N 3.49Å; T146-L150 VanDerWaalsContact O-N 3.07Å
147G84.3Confident94.6Very high73 Ų7364.6 Ų64.675%0.75335%0.351SS*.THydrogen-bonded Turntrans-59.9-29.4-178.400000114.2
148D87.5Confident94.7Very high140 Ų14067 Ų6775%0.74936%0.362SS*.THydrogen-bonded Turntrans-77.3-20.3173.761.1-56.6000113.4T146T146-D148 WeakPolarHBondContact CB-OD1 3.5Å; T146-D148 PolarHBondContact O-N 3.39Å; T146-D148 PolarHBondContact OG1-OD1 3.44Å
149Q93Very high94.7Very high59 Ų5961.2 Ų61.228%0.27634%0.337SS..THydrogen-bonded Turntrans-90.8-23.8177.7-70.3176.6-13.400113.3W85 L145 T146 P151W85-Q149 WeakPolarHBondContact CH2-O 3.42Å; W85-Q149 HydrophobicContact CZ2-CB 4.11Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.3Å; L145-Q149 HydrophobicContact CB-CB 4.07Å; L145-Q149 HydrophobicContact CD2-CB 4.38Å; T146-Q149 WeakPolarHBondContact O-CA 3.42Å; T146-Q149 WeakPolarHBondContact O-CB 3.37Å; T146-Q149 PolarHBondContact O-N 3.05Å; T146-Q149 VanDerWaalsContact OG1-CD 3.26Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.43Å; T146-Q149 PolarHBondContact OG1-OE1 3.29Å; Q149-P151 WeakPolarHBondContact O-CD 3.26Å
150L95.4Very high94.6Very high38 Ų3860 Ų6020%0.19933%0.33CS..SBendtrans-98.595.2179.2-177.858.9000110.6W25 Y142 L145 T146W25-L150 HydrophobicContact CE3-CD1 4.24Å; W25-L150 HydrophobicContact CH2-CD1 4.1Å; W25-L150 HydrophobicContact CZ3-CD1 3.41Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.41Å; Y142-L150 HydrophobicContact CG-CD1 4.19Å; L145-L150 HydrophobicContact CB-CB 4.34Å; L145-L150 HydrophobicContact CD1-CD1 4.48Å; T146-L150 PolarHBondContact O-N 3.49Å; T146-L150 VanDerWaalsContact O-N 3.07Å
151P96.6Very high94.5Very high26 Ų2652.2 Ų52.217%0.16932%0.315CS..  trans-71.9138.5-176.229.6-36.2000112W25 H91 Q149 C153 E154W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.75Å; H91-P151 HydrophobicContact CB-CG 4.32Å; H91-P151 PolarHBondContact CD2-O 2.98Å; H91-P151 VanDerWaalsContact CD2-O 3.31Å; Q149-P151 WeakPolarHBondContact O-CD 3.26Å; P151-C153 VanDerWaalsContact C-N 3.32Å; P151-E154 HydrophobicContact CB-CG 3.69Å; P151-E154 HydrophobicContact CG-CG 3.69Å
152S96.5Very high94.5Very high54 Ų5449 Ų4938%0.37830%0.303SS..SBendtrans-77.2-20.216757.90000112.7H91 G93 M126H91-S152 PolarHBondContact CE1-O 3.33Å; H91-S152 VanDerWaalsContact CE1-O 3.28Å; H91-S152 PolarHBondContact ND1-O 3.36Å; H91-S152 VanDerWaalsContact ND1-O 3.1Å; G93-S152 WeakPolarHBondContact CA-O 3.25Å; M126-S152 WeakPolarHBondContact CB-O 3.26Å; M126-S152 PolarHBondContact N-O 2.57Å
153C96.6Very high94.4Very high26 Ų2648.7 Ų48.718%0.17630%0.302CS..SBendtrans-164.7156.7174.353.50000109.4P123 P151P123-C153 HydrophobicContact CG-CB 4.01Å; P151-C153 VanDerWaalsContact C-N 3.32Å
154E96.8Very high94.4Very high4 Ų447.5 Ų47.52%0.01928%0.281CS..  trans-132.3139.9176.6-68.9178.5118.100110.6R90 H91 P123 P151 D158 R162R90-E154 HydrophobicContact CG-CB 4.07Å; R90-E154 WeakPolarHBondContact CG-O 3.4Å; R90-E154 PolarHBondContact NE-O 3.33Å; R90-E154 PolarHBondContact NH2-O 2.94Å; H91-E154 HydrophobicContact CB-CB 4.17Å; H91-E154 HydrophobicContact CB-CG 3.81Å; H91-E154 PolarHBondContact N-OE2 2.75Å; H91-E154 PolarHBondContact O-N 2.92Å; P123-E154 WeakPolarHBondContact CD-O 3.5Å; P151-E154 HydrophobicContact CB-CG 3.69Å; P151-E154 HydrophobicContact CG-CG 3.69Å; E154-D158 HydrophobicContact CB-CB 4.08Å; E154-D158 HydrophobicContact CG-CB 4.26Å; E154-R162 WeakPolarHBondContact OE1-CG 3.45Å; E154-R162 IonicContact OE1-CZ 3.51Å; E154-R162 IonicContact OE1-NE 3.36Å; E154-R162 PolarHBondContact OE1-NE 3.05Å; E154-R162 IonicContact OE1-NH2 3.51Å; E154-R162 PolarHBondContact OE1-NH2 3.24Å; E154-R162 IonicContact OE2-CZ 2.79Å; E154-R162 IonicContact OE2-NE 2.98Å; E154-R162 IonicContact OE2-NH2 3.88Å; E154-R162 PolarHBondContact OE2-NH2 3.43Å
155S95Very high94.6Very high1 Ų141.5 Ų41.51%0.00725%0.252CS..  trans-73.7173.5153.469.70000111.1F119 K157 D158 T159F119-S155 WeakPolarHBondContact O-CB 3.35Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.2Å; S155-K157 PolarHBondContact OG-N 3.05Å; S155-D158 VanDerWaalsContact CB-OD2 3.28Å; S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-OD2 3.15Å; S155-D158 PolarHBondContact O-N 3.25Å; S155-D158 PolarHBondContact OG-N 3.21Å; S155-D158 PolarHBondContact OG-OD1 2.82Å; S155-D158 PolarHBondContact OG-OD2 2.84Å; S155-T159 PolarHBondContact O-N 2.98Å; S155-T159 VanDerWaalsContact O-N 3.11Å; S155-T159 PolarHBondContact O-OG1 2.89Å
156L92.5Very high94.7Very high1 Ų141 Ų411%0.00525%0.248CC..Hα-helixtrans-66-36169.7176.360.7000110.3F119 T159 I160 N188 I205F119-L156 HydrophobicContact CD2-CB 4.41Å; F119-L156 HydrophobicContact CD2-CD2 4.08Å; F119-L156 HydrophobicContact CD2-CG 4.18Å; F119-L156 CarbonylContact O-C 3.58Å; F119-L156 PolarHBondContact O-N 3.28Å; F119-L156 VanDerWaalsContact O-N 3.1Å; L156-T159 WeakPolarHBondContact O-CB 3.16Å; L156-T159 PolarHBondContact O-N 2.88Å; L156-I160 HydrophobicContact CD1-CD1 4.13Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.9Å; L156-I160 WeakPolarHBondContact O-CB 3.43Å; L156-I160 WeakPolarHBondContact O-CD1 3.41Å; L156-I160 WeakPolarHBondContact O-CG1 3.28Å; L156-I160 PolarHBondContact O-N 2.72Å; L156-N188 HydrophobicContact CD1-CB 3.93Å; L156-I205 HydrophobicContact CD2-CG1 4.16Å; L156-I205 HydrophobicContact CD2-CG2 4.18Å
157K94.9Very high94.9Very high109 Ų10938 Ų3847%0.47423%0.229SC..Hα-helixtrans-59.3-45173.9-176.6179.8179.91770111.8F119 D120 S155 I160 A161F119-K157 HydrophobicContact CD1-CB 4.12Å; F119-K157 HydrophobicContact CD1-CD 4.45Å; F119-K157 HydrophobicContact CE1-CB 3.78Å; F119-K157 HydrophobicContact CE1-CD 3.92Å; F119-K157 HydrophobicContact CE1-CG 3.83Å; F119-K157 HydrophobicContact CE2-CB 4.35Å; F119-K157 HydrophobicContact CZ-CB 3.89Å; F119-K157 HydrophobicContact CZ-CG 4.02Å; F119-K157 WeakPolarHBondContact O-CB 3.22Å; F119-K157 PolarHBondContact O-N 3.1Å; D120-K157 HydrophobicContact CB-CD 4.24Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.2Å; S155-K157 PolarHBondContact OG-N 3.05Å; K157-I160 WeakPolarHBondContact O-CB 3.34Å; K157-I160 PolarHBondContact O-N 3.26Å; K157-A161 WeakPolarHBondContact O-CB 3.46Å; K157-A161 PolarHBondContact O-N 3.18Å
158D96.4Very high95.5Very high70 Ų7038 Ų3837%0.37421%0.212SC..Hα-helixtrans-65.7-45.1178.3-55.7-39.9000111.1E154 S155 I160 A161 R162E154-D158 HydrophobicContact CB-CB 4.08Å; E154-D158 HydrophobicContact CG-CB 4.26Å; S155-D158 VanDerWaalsContact CB-OD2 3.28Å; S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-OD2 3.15Å; S155-D158 PolarHBondContact O-N 3.25Å; S155-D158 PolarHBondContact OG-N 3.21Å; S155-D158 PolarHBondContact OG-OD1 2.82Å; S155-D158 PolarHBondContact OG-OD2 2.84Å; D158-I160 VanDerWaalsContact C-N 3.25Å; D158-I160 PolarHBondContact O-N 2.99Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 3.1Å; D158-A161 VanDerWaalsContact O-N 3.08Å; D158-R162 WeakPolarHBondContact O-CG 3.14Å; D158-R162 PolarHBondContact O-N 2.95Å
159T96.2Very high96Very high0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-53.3-45.3174.6-600000110.8S155 L156 R162 A163 N188S155-T159 PolarHBondContact O-N 2.98Å; S155-T159 VanDerWaalsContact O-N 3.11Å; S155-T159 PolarHBondContact O-OG1 2.89Å; L156-T159 WeakPolarHBondContact O-CB 3.16Å; L156-T159 PolarHBondContact O-N 2.88Å; T159-R162 WeakPolarHBondContact O-CD 3.42Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.03Å; T159-A163 VanDerWaalsContact O-N 3.1Å; T159-N188 HydrophobicContact CG2-CB 4.4Å
160I94.6Very high96.3Very high14 Ų1439.2 Ų39.27%0.07221%0.213CC..Hα-helixtrans-66.1-46.4177.1-71.5166.1000111.1F119 L156 K157 D158 R162 A163 L164 K195F119-I160 HydrophobicContact CE2-CD1 3.66Å; F119-I160 HydrophobicContact CZ-CD1 4.41Å; L156-I160 HydrophobicContact CD1-CD1 4.13Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.9Å; L156-I160 WeakPolarHBondContact O-CB 3.43Å; L156-I160 WeakPolarHBondContact O-CD1 3.41Å; L156-I160 WeakPolarHBondContact O-CG1 3.28Å; L156-I160 PolarHBondContact O-N 2.72Å; K157-I160 WeakPolarHBondContact O-CB 3.34Å; K157-I160 PolarHBondContact O-N 3.26Å; D158-I160 VanDerWaalsContact C-N 3.25Å; D158-I160 PolarHBondContact O-N 2.99Å; I160-R162 PolarHBondContact O-N 3.3Å; I160-A163 PolarHBondContact O-N 3.27Å; I160-A163 VanDerWaalsContact O-N 3.11Å; I160-L164 HydrophobicContact CG2-CD1 3.5Å; I160-L164 HydrophobicContact CG2-CG 3.84Å; I160-L164 WeakPolarHBondContact O-CB 3.15Å; I160-L164 WeakPolarHBondContact O-CG 3.29Å; I160-L164 PolarHBondContact O-N 3.26Å; I160-K195 HydrophobicContact CD1-CD 3.83Å
161A96.1Very high96.4Very high65 Ų6537.4 Ų37.454%0.53720%0.203SC..Hα-helixtrans-59-34.8-177.600000112.4K157 D158 P165K157-A161 WeakPolarHBondContact O-CB 3.46Å; K157-A161 PolarHBondContact O-N 3.18Å; D158-A161 WeakPolarHBondContact O-CB 3.46Å; D158-A161 PolarHBondContact O-N 3.1Å; D158-A161 VanDerWaalsContact O-N 3.08Å; A161-P165 WeakPolarHBondContact O-CD 3.12Å; A161-P165 WeakPolarHBondContact O-CG 3.45Å
162R96.8Very high96.5Very high16 Ų1637 Ų376%0.0620%0.2CC..Hα-helixtrans-87.2-22.6174.86180.4172.1153.8-4114.9W85 R86 N88 E89 E154 D158 T159 I160W85-R162 HydrophobicContact CH2-CB 3.76Å; W85-R162 HydrophobicContact CH2-CG 4.12Å; W85-R162 HydrophobicContact CZ3-CB 3.99Å; W85-R162 HydrophobicContact CZ3-CG 3.81Å; R86-R162 WeakPolarHBondContact CB-O 3.23Å; R86-R162 WeakPolarHBondContact CD-O 3.44Å; R86-R162 WeakPolarHBondContact CG-O 3.36Å; R86-R162 PolarHBondContact NH1-O 3.11Å; R86-R162 PolarHBondContact O-NH1 3.31Å; N88-R162 VanDerWaalsContact O-CZ 3.31Å; N88-R162 PolarHBondContact O-NH1 2.98Å; N88-R162 PolarHBondContact O-NH2 3.11Å; E89-R162 PolarHBondContact O-NH2 3.27Å; E154-R162 WeakPolarHBondContact OE1-CG 3.45Å; E154-R162 IonicContact OE1-CZ 3.51Å; E154-R162 IonicContact OE1-NE 3.36Å; E154-R162 PolarHBondContact OE1-NE 3.05Å; E154-R162 IonicContact OE1-NH2 3.51Å; E154-R162 PolarHBondContact OE1-NH2 3.24Å; E154-R162 IonicContact OE2-CZ 2.79Å; E154-R162 IonicContact OE2-NE 2.98Å; E154-R162 IonicContact OE2-NH2 3.88Å; E154-R162 PolarHBondContact OE2-NH2 3.43Å; D158-R162 WeakPolarHBondContact O-CG 3.14Å; D158-R162 PolarHBondContact O-N 2.95Å; T159-R162 WeakPolarHBondContact O-CD 3.42Å; I160-R162 PolarHBondContact O-N 3.3Å
163A96.8Very high96.6Very high2 Ų236.5 Ų36.52%0.01720%0.196CC..Hα-helixtrans-81.9-37.9178.700000112.9R86 T159 I160 F166 W167R86-A163 WeakPolarHBondContact O-CA 3.4Å; R86-A163 WeakPolarHBondContact O-CB 3.29Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.03Å; T159-A163 VanDerWaalsContact O-N 3.1Å; I160-A163 PolarHBondContact O-N 3.27Å; I160-A163 VanDerWaalsContact O-N 3.11Å; A163-F166 PolarHBondContact O-N 3.15Å; A163-W167 PolarHBondContact O-N 3.4Å
164L95.8Very high96.7Very high34 Ų3436.6 Ų36.618%0.17819%0.194CC..Hα-helixtrans-64.3-37.4-176.6-75.1-178.8000115.1I160 F166 W167 N168 H196I160-L164 HydrophobicContact CG2-CD1 3.5Å; I160-L164 HydrophobicContact CG2-CG 3.84Å; I160-L164 WeakPolarHBondContact O-CB 3.15Å; I160-L164 WeakPolarHBondContact O-CG 3.29Å; I160-L164 PolarHBondContact O-N 3.26Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.33Å; L164-W167 WeakPolarHBondContact O-CB 3.45Å; L164-W167 PolarHBondContact O-N 2.69Å; L164-N168 WeakPolarHBondContact O-CB 3.46Å; L164-N168 PolarHBondContact O-N 3.29Å; L164-N168 PolarHBondContact O-ND2 2.9Å; L164-H196 HydrophobicContact CD2-CB 3.64Å
165P96.7Very high96.8Very high37 Ų3736.4 Ų36.424%0.2419%0.193CC..Hα-helixtrans-55.7-46.6172.2-28.836.4000111.7A161 W167 N168 E169A161-P165 WeakPolarHBondContact O-CD 3.12Å; A161-P165 WeakPolarHBondContact O-CG 3.45Å; P165-W167 PolarHBondContact O-N 3.37Å; P165-N168 PolarHBondContact O-N 3.43Å; P165-E169 VanDerWaalsContact O-CB 3.24Å; P165-E169 WeakPolarHBondContact O-CB 3.16Å; P165-E169 VanDerWaalsContact O-CG 3.29Å; P165-E169 WeakPolarHBondContact O-CG 3.37Å; P165-E169 PolarHBondContact O-N 3.27Å
166F97.8Very high96.9Very high25 Ų2542 Ų4211%0.1122%0.217CC..Hα-helixtrans-63.5-41.7176.5-172.3-104.1000112.7Y56 T84 R86 L87 A163 L164 N168 E170 I171Y56-F166 AromaticContact CD1-CE1 3.61Å; Y56-F166 HydrophobicContact CD1-CE1 3.61Å; Y56-F166 AromaticContact CD1-CZ 3.57Å; Y56-F166 HydrophobicContact CD1-CZ 3.57Å; Y56-F166 HydrophobicContact CE1-CE1 4.09Å; Y56-F166 AromaticContact CE1-CZ 3.8Å; Y56-F166 HydrophobicContact CE1-CZ 3.8Å; Y56-F166 HydrophobicContact CG-CE1 4.34Å; T84-F166 HydrophobicContact CG2-CD1 3.71Å; T84-F166 HydrophobicContact CG2-CD2 3.96Å; T84-F166 HydrophobicContact CG2-CE1 3.44Å; T84-F166 VanDerWaalsContact CG2-CE1 3.44Å; T84-F166 HydrophobicContact CG2-CE2 3.7Å; T84-F166 HydrophobicContact CG2-CG 3.96Å; T84-F166 HydrophobicContact CG2-CZ 3.44Å; T84-F166 VanDerWaalsContact CG2-CZ 3.44Å; R86-F166 HydrophobicContact CB-CB 3.91Å; R86-F166 HydrophobicContact CB-CG 4.35Å; R86-F166 HydrophobicContact CG-CB 4.47Å; L87-F166 HydrophobicContact CD1-CD1 4.29Å; L87-F166 HydrophobicContact CD1-CE1 3.91Å; L87-F166 HydrophobicContact CD2-CD1 4.49Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; A163-F166 PolarHBondContact O-N 3.15Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.33Å; F166-N168 PolarHBondContact O-N 3.33Å; F166-E170 HydrophobicContact CD2-CB 3.97Å; F166-E170 HydrophobicContact CD2-CG 3.69Å; F166-E170 HydrophobicContact CE2-CB 3.77Å; 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 4.36Å; F166-E170 WeakPolarHBondContact O-CB 3.23Å; F166-E170 PolarHBondContact O-N 3.17Å; F166-I171 HydrophobicContact CD1-CD1 3.88Å; F166-I171 HydrophobicContact CD1-CG1 4.09Å; F166-I171 HydrophobicContact CE1-CD1 3.81Å; F166-I171 HydrophobicContact CE1-CG1 3.9Å; F166-I171 PolarHBondContact O-N 3.2Å
167W97.4Very high97.1Very high4 Ų449.2 Ų49.22%0.01525%0.248CC..Iπ-helixtrans-56.5-50.4173.7167-96.2000111.5L6 A163 L164 P165 I171 V172 I175 I183 I193 H196 L197L6-W167 HydrophobicContact CD2-CH2 3.6Å; L6-W167 HydrophobicContact CD2-CZ3 3.86Å; A163-W167 PolarHBondContact O-N 3.4Å; L164-W167 WeakPolarHBondContact O-CB 3.45Å; L164-W167 PolarHBondContact O-N 2.69Å; P165-W167 PolarHBondContact O-N 3.37Å; W167-I171 HydrophobicContact CE3-CB 4.11Å; W167-I171 HydrophobicContact CE3-CD1 4.13Å; W167-I171 HydrophobicContact CE3-CG2 3.87Å; W167-I171 HydrophobicContact CZ3-CG2 3.78Å; W167-I171 WeakPolarHBondContact O-CB 3.49Å; W167-I171 PolarHBondContact O-N 2.86Å; W167-V172 HydrophobicContact CD2-CG2 4.24Å; W167-V172 HydrophobicContact CG-CG2 4.34Å; W167-V172 HydrophobicContact CZ2-CG2 4.04Å; W167-V172 WeakPolarHBondContact O-CB 3.46Å; W167-V172 VanDerWaalsContact O-CG2 3.28Å; W167-V172 WeakPolarHBondContact O-CG2 3.42Å; W167-V172 PolarHBondContact O-N 3.06Å; W167-I175 HydrophobicContact CH2-CD1 3.71Å; W167-I175 HydrophobicContact CZ2-CD1 4.36Å; W167-I175 HydrophobicContact CZ3-CD1 4.2Å; W167-I183 HydrophobicContact CE3-CD1 4.35Å; W167-I183 HydrophobicContact CZ3-CD1 4.02Å; W167-I193 HydrophobicContact CD2-CG2 4.26Å; W167-I193 HydrophobicContact CE3-CD1 4.3Å; W167-I193 HydrophobicContact CE3-CG1 4.41Å; W167-I193 HydrophobicContact CE3-CG2 3.76Å; W167-I193 HydrophobicContact CH2-CG2 4.24Å; W167-I193 HydrophobicContact CZ3-CG2 3.75Å; W167-H196 AromaticContact CD1-CD2 3.85Å; W167-H196 AromaticContact NE1-CD2 3.48Å; W167-H196 PolarHBondContact NE1-CD2 3.14Å; W167-H196 AromaticContact NE1-NE2 3.68Å; W167-L197 HydrophobicContact CH2-CD1 4.29Å; W167-L197 HydrophobicContact CH2-CD2 4Å; W167-L197 HydrophobicContact CH2-CG 4.44Å; W167-L197 HydrophobicContact CZ2-CD2 3.59Å; W167-L197 HydrophobicContact CZ2-CG 4.24Å
168N97.2Very high97.2Very high74 Ų7446.4 Ų46.440%0.39625%0.25SC..Iπ-helixtrans-72.4-38.6-175.6-72-36.1000113.7L164 P165 F166 P173L164-N168 WeakPolarHBondContact O-CB 3.46Å; L164-N168 PolarHBondContact O-N 3.29Å; L164-N168 PolarHBondContact O-ND2 2.9Å; P165-N168 PolarHBondContact O-N 3.43Å; F166-N168 PolarHBondContact O-N 3.33Å; N168-P173 WeakPolarHBondContact O-CD 3.15Å
169E98Very high97.3Very high133 Ų13346.4 Ų46.462%0.62125%0.247SC*.Iπ-helixtrans-88.7-33.4-172-66.4165.9-159.900112.2P165 P173P165-E169 VanDerWaalsContact O-CB 3.24Å; P165-E169 WeakPolarHBondContact O-CB 3.16Å; P165-E169 VanDerWaalsContact O-CG 3.29Å; P165-E169 WeakPolarHBondContact O-CG 3.37Å; P165-E169 PolarHBondContact O-N 3.27Å; E169-P173 WeakPolarHBondContact O-CG 3.43Å
170E98.3Very high97.4Very high90 Ų9050.7 Ų50.742%0.42126%0.263SS..Iπ-helixtrans-110.6-46.9-173.9-64.8-63150.600112.9Y56 F166 Q174Y56-E170 PolarHBondContact OH-O 3.41Å; F166-E170 HydrophobicContact CD2-CB 3.97Å; F166-E170 HydrophobicContact CD2-CG 3.69Å; F166-E170 HydrophobicContact CE2-CB 3.77Å; 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 4.36Å; F166-E170 WeakPolarHBondContact O-CB 3.23Å; F166-E170 PolarHBondContact O-N 3.17Å; E170-Q174 WeakPolarHBondContact O-CG 3.48Å
171I98.3Very high97.6Very high0 Ų050 Ų500%026%0.259CS..Iπ-helixtrans-82.9-49.9-171.1-56.3-175.5000111.5Y56 F166 W167 Q174 I175 V181 I183Y56-I171 HydrophobicContact CD1-CD1 4.46Å; Y56-I171 HydrophobicContact CD1-CG1 4.19Å; Y56-I171 HydrophobicContact CD2-CD1 4.23Å; Y56-I171 HydrophobicContact CD2-CG1 4.06Å; Y56-I171 HydrophobicContact CE1-CG1 4.09Å; Y56-I171 HydrophobicContact CE2-CB 4.47Å; Y56-I171 HydrophobicContact CE2-CG1 3.97Å; Y56-I171 HydrophobicContact CE2-CG2 4.34Å; Y56-I171 HydrophobicContact CG-CD1 4.13Å; Y56-I171 HydrophobicContact CG-CG1 4.16Å; F166-I171 HydrophobicContact CD1-CD1 3.88Å; F166-I171 HydrophobicContact CD1-CG1 4.09Å; F166-I171 HydrophobicContact CE1-CD1 3.81Å; F166-I171 HydrophobicContact CE1-CG1 3.9Å; F166-I171 PolarHBondContact O-N 3.2Å; W167-I171 HydrophobicContact CE3-CB 4.11Å; W167-I171 HydrophobicContact CE3-CD1 4.13Å; W167-I171 HydrophobicContact CE3-CG2 3.87Å; W167-I171 HydrophobicContact CZ3-CG2 3.78Å; W167-I171 WeakPolarHBondContact O-CB 3.49Å; W167-I171 PolarHBondContact O-N 2.86Å; I171-Q174 WeakPolarHBondContact O-CB 3.26Å; I171-Q174 PolarHBondContact O-N 3.42Å; I171-I175 HydrophobicContact CG2-CD1 3.9Å; I171-I175 HydrophobicContact CG2-CG1 4.3Å; I171-I175 PolarHBondContact O-N 2.93Å; I171-I175 VanDerWaalsContact O-N 3.08Å; I171-V181 HydrophobicContact CG2-CG1 4.16Å; I171-I183 HydrophobicContact CD1-CD1 3.64Å; I171-I183 HydrophobicContact CD1-CG1 4.45Å; I171-I183 HydrophobicContact CG2-CD1 4.18Å
172V98Very high97.7Very high17 Ų1746.9 Ų46.910%0.10323%0.234CC..Hα-helixtrans-53.5-44.8-179.11580000112.5W167 Q174 I175 K176 L224W167-V172 HydrophobicContact CD2-CG2 4.24Å; W167-V172 HydrophobicContact CG-CG2 4.34Å; W167-V172 HydrophobicContact CZ2-CG2 4.04Å; W167-V172 WeakPolarHBondContact O-CB 3.46Å; W167-V172 VanDerWaalsContact O-CG2 3.28Å; W167-V172 WeakPolarHBondContact O-CG2 3.42Å; W167-V172 PolarHBondContact O-N 3.06Å; V172-Q174 VanDerWaalsContact C-N 3.28Å; V172-Q174 PolarHBondContact O-N 3.18Å; V172-I175 PolarHBondContact O-N 2.79Å; V172-K176 HydrophobicContact CG1-CD 4.22Å; V172-K176 PolarHBondContact O-N 3.02Å; V172-L224 HydrophobicContact CB-CD1 4.01Å; V172-L224 HydrophobicContact CG1-CD1 3.61Å; V172-L224 HydrophobicContact CG2-CD1 3.61Å
173P98.4Very high97.8Very high44 Ų4446.1 Ų46.129%0.28623%0.231SC..Hα-helixtrans-62.8-32.6177.2-26.838.3000113.5N168 E169 K177N168-P173 WeakPolarHBondContact O-CD 3.15Å; E169-P173 WeakPolarHBondContact O-CG 3.43Å; P173-K177 VanDerWaalsContact O-CG 3.24Å; P173-K177 WeakPolarHBondContact O-CG 3.36Å; P173-K177 PolarHBondContact O-N 2.96Å; P173-K177 VanDerWaalsContact O-N 3.12Å
174Q98.6Very high97.9Very high28 Ų2846 Ų4613%0.13123%0.23CC..Hα-helixtrans-70.9-43.5176.1-56.3-57.9-4000111.3I54 Y56 E170 I171 V172 K176 K177 G178 K179 V181I54-Q174 HydrophobicContact CD1-CG 4.16Å; I54-Q174 HydrophobicContact CG2-CB 4.36Å; Y56-Q174 VanDerWaalsContact OH-CG 3.23Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.38Å; E170-Q174 WeakPolarHBondContact O-CG 3.48Å; I171-Q174 WeakPolarHBondContact O-CB 3.26Å; I171-Q174 PolarHBondContact O-N 3.42Å; V172-Q174 VanDerWaalsContact C-N 3.28Å; V172-Q174 PolarHBondContact O-N 3.18Å; Q174-K176 VanDerWaalsContact C-N 3.31Å; Q174-K176 PolarHBondContact O-N 3.21Å; Q174-K177 WeakPolarHBondContact O-CB 3.44Å; Q174-K177 PolarHBondContact O-N 3.07Å; Q174-K177 VanDerWaalsContact O-N 3.13Å; Q174-G178 PolarHBondContact O-N 3.22Å; Q174-K179 HydrophobicContact CB-CB 4.34Å; Q174-K179 HydrophobicContact CB-CD 4.2Å; Q174-K179 WeakPolarHBondContact O-CB 3.38Å; Q174-K179 PolarHBondContact O-N 3.23Å; Q174-K179 VanDerWaalsContact O-N 3.13Å; Q174-K179 VanDerWaalsContact OE1-CD 3.31Å; Q174-K179 VanDerWaalsContact OE1-CE 3.22Å; Q174-V181 HydrophobicContact CB-CG2 4.41Å
175I98.1Very high98.1Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-58.7-46.5175.5-60.8172.8000109.8Y4 L6 W167 I171 V172 K177 G178 V181 L224Y4-I175 HydrophobicContact CD1-CG2 4.15Å; Y4-I175 WeakPolarHBondContact CD1-O 3.22Å; Y4-I175 HydrophobicContact CD2-CG2 3.94Å; Y4-I175 VanDerWaalsContact CE1-O 3.26Å; Y4-I175 WeakPolarHBondContact CE1-O 3.31Å; Y4-I175 HydrophobicContact CG-CG2 3.63Å; L6-I175 HydrophobicContact CD1-CD1 4.31Å; W167-I175 HydrophobicContact CH2-CD1 3.71Å; W167-I175 HydrophobicContact CZ2-CD1 4.36Å; W167-I175 HydrophobicContact CZ3-CD1 4.2Å; I171-I175 HydrophobicContact CG2-CD1 3.9Å; I171-I175 HydrophobicContact CG2-CG1 4.3Å; I171-I175 PolarHBondContact O-N 2.93Å; I171-I175 VanDerWaalsContact O-N 3.08Å; V172-I175 PolarHBondContact O-N 2.79Å; I175-K177 PolarHBondContact O-N 3.31Å; I175-G178 WeakPolarHBondContact O-CA 3.45Å; I175-G178 PolarHBondContact O-N 2.7Å; I175-V181 HydrophobicContact CG1-CB 4.37Å; I175-V181 HydrophobicContact CG1-CG2 3.68Å; I175-L224 HydrophobicContact CB-CD2 4.36Å; I175-L224 HydrophobicContact CG2-CD2 3.59Å
176K97.3Very high98.1Very high119 Ų11942.7 Ų42.752%0.51721%0.21SC..Hα-helixtrans-65.2-24.1178.6-74.7-174.3173.9-179.10114V172 Q174 G178 L224V172-K176 HydrophobicContact CG1-CD 4.22Å; V172-K176 PolarHBondContact O-N 3.02Å; Q174-K176 VanDerWaalsContact C-N 3.31Å; Q174-K176 PolarHBondContact O-N 3.21Å; K176-G178 PolarHBondContact O-N 2.86Å; K176-L224 HydrophobicContact CG-CD1 4.46Å
177K97.5Very high97.9Very high153 Ų15341.8 Ų41.867%0.66521%0.208SC*.THydrogen-bonded Turntrans-76.30.8169.6-73.5170.3-177177.30113.2P173 Q174 I175P173-K177 VanDerWaalsContact O-CG 3.24Å; P173-K177 WeakPolarHBondContact O-CG 3.36Å; P173-K177 PolarHBondContact O-N 2.96Å; P173-K177 VanDerWaalsContact O-N 3.12Å; Q174-K177 WeakPolarHBondContact O-CB 3.44Å; Q174-K177 PolarHBondContact O-N 3.07Å; Q174-K177 VanDerWaalsContact O-N 3.13Å; I175-K177 PolarHBondContact O-N 3.31Å
178G96.9Very high97.7Very high49 Ų4942 Ų4251%0.50521%0.21SC..THydrogen-bonded Turntrans83.48.8-179.300000114.2Q174 I175 K176Q174-G178 PolarHBondContact O-N 3.22Å; I175-G178 WeakPolarHBondContact O-CA 3.45Å; I175-G178 PolarHBondContact O-N 2.7Å; K176-G178 PolarHBondContact O-N 2.86Å
179K98.3Very high97.6Very high70 Ų7038.5 Ų38.530%0.30419%0.191SC..  trans-70.7139.6176.6-66.7-165.6-179.2175.10111.1D53 I54 Q174D53-K179 HydrophobicContact CB-CB 4.06Å; D53-K179 HydrophobicContact CB-CD 4.24Å; D53-K179 HydrophobicContact CB-CG 4.15Å; I54-K179 HydrophobicContact CB-CD 4.46Å; I54-K179 HydrophobicContact CG2-CB 4.3Å; I54-K179 HydrophobicContact CG2-CD 4.09Å; Q174-K179 HydrophobicContact CB-CB 4.34Å; Q174-K179 HydrophobicContact CB-CD 4.2Å; Q174-K179 WeakPolarHBondContact O-CB 3.38Å; Q174-K179 PolarHBondContact O-N 3.23Å; Q174-K179 VanDerWaalsContact O-N 3.13Å; Q174-K179 VanDerWaalsContact OE1-CD 3.31Å; Q174-K179 VanDerWaalsContact OE1-CE 3.22Å
180R98.4Very high97.5Very high90 Ų9032.1 Ų32.134%0.3416%0.161SC..  trans-83.2111.4172-60.8164.9-63.3178.310.3108.2E51 F52 D53E51-R180 VanDerWaalsContact CB-CZ 3.45Å; E51-R180 WeakPolarHBondContact O-CB 3.39Å; E51-R180 VanDerWaalsContact O-CD 3.26Å; E51-R180 WeakPolarHBondContact O-CD 3.36Å; E51-R180 PolarHBondContact O-NE 3.28Å; E51-R180 IonicContact OE2-CZ 3.45Å; E51-R180 IonicContact OE2-NH1 2.71Å; E51-R180 PolarHBondContact OE2-NH1 2.73Å; E51-R180 IonicContact OE2-NH2 3.32Å; E51-R180 PolarHBondContact OE2-NH2 3.05Å; F52-R180 HydrophobicContact CD1-CB 4.42Å; D53-R180 PolarHBondContact N-O 3.46Å; D53-R180 IonicContact OD1-CZ 3.58Å; D53-R180 IonicContact OD1-NE 3.5Å; D53-R180 IonicContact OD1-NH2 2.85Å; D53-R180 PolarHBondContact OD1-NH2 3.39Å; D53-R180 WeakPolarHBondContact OD2-CB 3.43Å; D53-R180 IonicContact OD2-CZ 3.89Å; D53-R180 PolarHBondContact OD2-N 3.28Å; D53-R180 IonicContact OD2-NE 3.05Å; D53-R180 PolarHBondContact OD2-NE 3.29Å; D53-R180 IonicContact OD2-NH2 3.88Å
181V98.8Very high97.2Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-103.2134.1-170.7-179.20000111L6 V7 I54 Y56 I171 Q174 I175 I183L6-V181 HydrophobicContact CD1-CB 3.9Å; L6-V181 HydrophobicContact CD1-CG1 3.97Å; V7-V181 PolarHBondContact N-O 2.74Å; I54-V181 HydrophobicContact CG2-CB 4.45Å; I54-V181 HydrophobicContact CG2-CG1 4.48Å; I54-V181 HydrophobicContact CG2-CG2 3.78Å; Y56-V181 HydrophobicContact CD2-CG1 3.65Å; Y56-V181 HydrophobicContact CE2-CG1 3.82Å; I171-V181 HydrophobicContact CG2-CG1 4.16Å; Q174-V181 HydrophobicContact CB-CG2 4.41Å; I175-V181 HydrophobicContact CG1-CB 4.37Å; I175-V181 HydrophobicContact CG1-CG2 3.68Å; V181-I183 HydrophobicContact CG1-CG1 3.96Å
182L98.9Very high96.9Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-111.7128.3167.7176.460.3000110.6V7 I9 F52 I54 C55 Y56 L67 V70 L71V7-L182 HydrophobicContact CB-CD1 3.94Å; V7-L182 HydrophobicContact CG1-CD1 3.64Å; V7-L182 CarbonylContact O-C 3.58Å; V7-L182 WeakPolarHBondContact O-CA 3.21Å; I9-L182 HydrophobicContact CG2-CD1 4.18Å; F52-L182 HydrophobicContact CD1-CB 3.68Å; F52-L182 HydrophobicContact CD2-CB 4.3Å; F52-L182 HydrophobicContact CD2-CD2 4.21Å; F52-L182 HydrophobicContact CE1-CB 3.82Å; F52-L182 HydrophobicContact CE1-CD1 4.45Å; F52-L182 HydrophobicContact CE2-CB 4.43Å; F52-L182 HydrophobicContact CE2-CD2 4.1Å; F52-L182 HydrophobicContact CG-CB 3.92Å; F52-L182 HydrophobicContact CZ-CB 4.18Å; F52-L182 HydrophobicContact CZ-CD1 4.22Å; F52-L182 HydrophobicContact CZ-CD2 4.41Å; I54-L182 PolarHBondContact O-N 2.83Å; I54-L182 VanDerWaalsContact O-N 3.16Å; C55-L182 CarbonylContact C-O 3.57Å; C55-L182 VanDerWaalsContact CA-O 3.28Å; C55-L182 WeakPolarHBondContact CA-O 3.39Å; Y56-L182 PolarHBondContact N-O 3.24Å; L67-L182 HydrophobicContact CD1-CD2 3.5Å; L67-L182 VanDerWaalsContact CD1-CD2 3.5Å; L67-L182 HydrophobicContact CD1-CG 4.04Å; V70-L182 HydrophobicContact CG1-CD2 3.74Å; L71-L182 HydrophobicContact CD2-CD2 4.45Å
183I98.9Very high96.7Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-118.6113.2175.1-50-178.3000109.8L6 V7 L8 I9 Y56 L87 W167 I171 V181 A185 L190 I193L6-I183 HydrophobicContact CD1-CD1 4Å; L6-I183 HydrophobicContact CD1-CG1 4.18Å; V7-I183 PolarHBondContact O-N 3.08Å; L8-I183 CarbonylContact C-O 3.55Å; L8-I183 WeakPolarHBondContact CA-O 3.5Å; L8-I183 HydrophobicContact CD2-CB 3.75Å; L8-I183 HydrophobicContact CD2-CD1 3.62Å; L8-I183 HydrophobicContact CD2-CG1 3.9Å; I9-I183 PolarHBondContact N-O 3.02Å; Y56-I183 WeakPolarHBondContact O-CA 3.24Å; L87-I183 HydrophobicContact CD1-CG2 4.1Å; L87-I183 HydrophobicContact CD2-CG2 4.5Å; W167-I183 HydrophobicContact CE3-CD1 4.35Å; W167-I183 HydrophobicContact CZ3-CD1 4.02Å; I171-I183 HydrophobicContact CD1-CD1 3.64Å; I171-I183 HydrophobicContact CD1-CG1 4.45Å; I171-I183 HydrophobicContact CG2-CD1 4.18Å; V181-I183 HydrophobicContact CG1-CG1 3.96Å; I183-A185 HydrophobicContact CG2-CB 4.3Å; I183-L190 HydrophobicContact CG2-CD2 4.12Å; I183-I193 HydrophobicContact CD1-CD1 4.29Å
184A98.9Very high96.6Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-101.9110.7172.300000110.3I9 Y56 T57 L67I9-A184 HydrophobicContact CG2-CB 3.7Å; I9-A184 CarbonylContact O-C 3.58Å; I9-A184 WeakPolarHBondContact O-CA 3.39Å; Y56-A184 PolarHBondContact O-N 3.09Å; T57-A184 VanDerWaalsContact CA-O 3.22Å; T57-A184 WeakPolarHBondContact CA-O 2.99Å; T57-A184 VanDerWaalsContact CB-O 3.27Å; T57-A184 WeakPolarHBondContact CB-O 3.34Å; T57-A184 PolarHBondContact OG1-O 3.19Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.22Å; L67-A184 HydrophobicContact CG-CB 4.42Å
185A98.6Very high96.3Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-147.3-146.5-174.900000112.2I9 R10 H11 L87 I183 L190I9-A185 PolarHBondContact O-N 3.11Å; R10-A185 WeakPolarHBondContact CA-O 3.39Å; H11-A185 PolarHBondContact CD2-O 2.97Å; H11-A185 PolarHBondContact N-O 3.46Å; L87-A185 HydrophobicContact CB-CB 4.49Å; I183-A185 HydrophobicContact CG2-CB 4.3Å; A185-L190 HydrophobicContact CB-CD1 4.45Å; A185-L190 HydrophobicContact CB-CD2 3.86Å; A185-L190 HydrophobicContact CB-CG 3.94Å
186H97.7Very high96.1Very high0 Ų030.6 Ų30.60%015%0.148CC..  trans-120.8172.3-168.7-54.1-88000112.4H11 S58 R62 L87 E89 S189 L190H11-H186 AromaticContact CD2-CE1 3.64Å; H11-H186 AromaticContact CD2-CG 3.78Å; H11-H186 AromaticContact CD2-ND1 2.98Å; H11-H186 PolarHBondContact CD2-ND1 3.28Å; H11-H186 AromaticContact NE2-CE1 3.91Å; H11-H186 AromaticContact NE2-ND1 3.05Å; H11-H186 PolarHBondContact NE2-ND1 2.91Å; S58-H186 WeakPolarHBondContact CB-NE2 3.35Å; S58-H186 PolarHBondContact OG-NE2 3.06Å; R62-H186 PolarHBondContact NE-CE1 2.63Å; R62-H186 PolarHBondContact NE-ND1 2.7Å; L87-H186 PolarHBondContact O-CD2 2.78Å; L87-H186 VanDerWaalsContact O-CD2 3.29Å; E89-H186 HydrophobicContact CB-CB 3.66Å; E89-H186 VanDerWaalsContact CD-CB 3.5Å; E89-H186 HydrophobicContact CG-CB 4.09Å; E89-H186 PolarHBondContact N-CD2 3.03Å; E89-H186 WeakPolarHBondContact OE2-CB 3.4Å; H186-S189 PolarHBondContact N-OG 2.83Å; H186-S189 PolarHBondContact O-OG 3.18Å; H186-L190 VanDerWaalsContact O-CB 3.26Å; H186-L190 WeakPolarHBondContact O-CB 3.3Å; H186-L190 VanDerWaalsContact O-CG 3.24Å; H186-L190 WeakPolarHBondContact O-CG 3.36Å; H186-L190 PolarHBondContact O-N 3.24Å
187G93.6Very high95.9Very high7 Ų725.5 Ų25.57%0.07213%0.127CC..Hα-helixtrans-59-55.3-174.800000112.4E89 R191E89-G187 PolarHBondContact OE2-N 3.05Å; E89-G187 VanDerWaalsContact OE2-N 3.15Å; G187-R191 WeakPolarHBondContact O-CB 3.32Å; G187-R191 WeakPolarHBondContact O-CD 3.32Å; G187-R191 WeakPolarHBondContact O-CG 3.47Å; G187-R191 PolarHBondContact O-N 3.18Å
188N92.7Very high95.7Very high8 Ų821.8 Ų21.84%0.04311%0.112CC..Hα-helixtrans-78.8-31.3-173.5-58.1-69.4000113.2E89 R90 Y92 L156 T159 R191 G192E89-N188 WeakPolarHBondContact OE1-CB 3.32Å; E89-N188 PolarHBondContact OE1-N 2.74Å; E89-N188 PolarHBondContact OE1-ND2 3.47Å; R90-N188 HydrophobicContact CB-CB 3.87Å; Y92-N188 PolarHBondContact OH-ND2 3.43Å; L156-N188 HydrophobicContact CD1-CB 3.93Å; T159-N188 HydrophobicContact CG2-CB 4.4Å; N188-R191 PolarHBondContact OD1-NH1 2.81Å; N188-G192 PolarHBondContact O-N 2.95Å
189S95.2Very high95.4Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-66.1-43.4175.164.10000111.5L87 N88 H186 G192 I193L87-S189 PolarHBondContact O-OG 2.91Å; N88-S189 WeakPolarHBondContact O-CB 3.36Å; H186-S189 PolarHBondContact N-OG 2.83Å; H186-S189 PolarHBondContact O-OG 3.18Å; S189-G192 PolarHBondContact O-N 3.18Å; S189-I193 PolarHBondContact O-N 3.4Å
190L96.4Very high95.2Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-70-38.7176-68.1179.8000112.1L8 R10 I183 A185 H186 G192 I193 V194 L210L8-L190 HydrophobicContact CB-CD1 4.45Å; L8-L190 HydrophobicContact CB-CD2 4.15Å; L8-L190 HydrophobicContact CD1-CD2 4.42Å; L8-L190 HydrophobicContact CD2-CD2 4.28Å; R10-L190 HydrophobicContact CB-CD1 4.08Å; I183-L190 HydrophobicContact CG2-CD2 4.12Å; A185-L190 HydrophobicContact CB-CD1 4.45Å; A185-L190 HydrophobicContact CB-CD2 3.86Å; A185-L190 HydrophobicContact CB-CG 3.94Å; H186-L190 VanDerWaalsContact O-CB 3.26Å; H186-L190 WeakPolarHBondContact O-CB 3.3Å; H186-L190 VanDerWaalsContact O-CG 3.24Å; H186-L190 WeakPolarHBondContact O-CG 3.36Å; H186-L190 PolarHBondContact O-N 3.24Å; L190-G192 PolarHBondContact O-N 2.91Å; L190-I193 HydrophobicContact CD2-CD1 4.29Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-I193 VanDerWaalsContact O-N 3.09Å; L190-V194 WeakPolarHBondContact O-CG2 3.09Å; L190-V194 PolarHBondContact O-N 3.19Å; L190-L210 HydrophobicContact CB-CD1 3.51Å
191R92.4Very high94.9Very high12 Ų1219.1 Ų19.15%0.04512%0.115CC..Hα-helixtrans-53.2-38.7169.9-79.8169.579.1-173.621.7111.4G187 N188 V194 K195 I205 M206 L208 L210G187-R191 WeakPolarHBondContact O-CB 3.32Å; G187-R191 WeakPolarHBondContact O-CD 3.32Å; G187-R191 WeakPolarHBondContact O-CG 3.47Å; G187-R191 PolarHBondContact O-N 3.18Å; N188-R191 PolarHBondContact OD1-NH1 2.81Å; R191-V194 PolarHBondContact O-N 3.3Å; R191-K195 WeakPolarHBondContact O-CB 3.5Å; R191-K195 PolarHBondContact O-N 3.24Å; R191-I205 HydrophobicContact CB-CD1 3.88Å; R191-I205 HydrophobicContact CB-CG1 4.31Å; R191-I205 HydrophobicContact CG-CD1 4.28Å; R191-I205 PolarHBondContact NE-O 2.93Å; R191-I205 PolarHBondContact NH2-O 2.92Å; R191-I205 VanDerWaalsContact O-CD1 3.28Å; R191-I205 WeakPolarHBondContact O-CD1 3.44Å; R191-M206 VanDerWaalsContact NH2-C 3.28Å; R191-M206 VanDerWaalsContact NH2-CA 3.32Å; R191-M206 PolarHBondContact NH2-O 3.23Å; R191-L208 WeakPolarHBondContact CD-O 3.32Å; R191-L208 HydrophobicContact CG-CD2 4.22Å; R191-L208 HydrophobicContact CG-CG 4.48Å; R191-L208 VanDerWaalsContact CZ-O 3.26Å; R191-L208 PolarHBondContact NE-O 3.42Å; R191-L208 PolarHBondContact NH2-O 2.83Å; R191-L210 HydrophobicContact CG-CD1 4.18Å; R191-L210 HydrophobicContact CG-CG 4.27Å
192G91.5Very high94.5Very high2 Ų223.1 Ų23.12%0.02113%0.134CC..Hα-helixtrans-61.6-45.2175.700000114.5N188 S189 L190 H196N188-G192 PolarHBondContact O-N 2.95Å; S189-G192 PolarHBondContact O-N 3.18Å; L190-G192 PolarHBondContact O-N 2.91Å; G192-H196 PolarHBondContact O-N 3.3Å
193I94.3Very high94Very high1 Ų128.8 Ų28.81%0.00516%0.16CC..Hα-helixtrans-64.2-46.1175.4-63.4172.8000110.2L8 L87 W167 I183 S189 L190 K195 H196 L197L8-I193 HydrophobicContact CD1-CG2 4.4Å; L87-I193 HydrophobicContact CD2-CD1 4.12Å; W167-I193 HydrophobicContact CD2-CG2 4.26Å; W167-I193 HydrophobicContact CE3-CD1 4.3Å; W167-I193 HydrophobicContact CE3-CG1 4.41Å; W167-I193 HydrophobicContact CE3-CG2 3.76Å; W167-I193 HydrophobicContact CH2-CG2 4.24Å; W167-I193 HydrophobicContact CZ3-CG2 3.75Å; I183-I193 HydrophobicContact CD1-CD1 4.29Å; S189-I193 PolarHBondContact O-N 3.4Å; L190-I193 HydrophobicContact CD2-CD1 4.29Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-I193 VanDerWaalsContact O-N 3.09Å; I193-K195 PolarHBondContact O-N 2.91Å; I193-H196 WeakPolarHBondContact O-CB 3.26Å; I193-H196 PolarHBondContact O-N 3.38Å; I193-H196 VanDerWaalsContact O-N 3.17Å; I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.78Å
194V94.8Very high93.5Very high0 Ų030.8 Ų30.80%018%0.177CC..Hα-helixtrans-60.4-45.4178.2171.10000111.5L8 L190 R191 H196 L197 E198 M200 L208 Y218 M230L8-V194 HydrophobicContact CD1-CG2 4.08Å; L190-V194 WeakPolarHBondContact O-CG2 3.09Å; L190-V194 PolarHBondContact O-N 3.19Å; R191-V194 PolarHBondContact O-N 3.3Å; V194-H196 PolarHBondContact O-N 2.82Å; V194-L197 PolarHBondContact O-N 3.25Å; V194-E198 WeakPolarHBondContact O-CB 3.12Å; V194-E198 PolarHBondContact O-N 2.98Å; V194-M200 HydrophobicContact CG1-SD 3.93Å; V194-L208 HydrophobicContact CB-CD2 4.1Å; V194-L208 HydrophobicContact CG1-CD2 3.52Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.45Å; V194-Y218 HydrophobicContact CG2-CE2 4.24Å; V194-M230 HydrophobicContact CG1-CE 3.8Å
195K93.6Very high93Very high43 Ų4330.8 Ų30.819%0.18718%0.177CC..Hα-helixtrans-54-42.8175.8-169-164.9-174-59.30111.3F119 I160 R191 I193 G199 M200 I205F119-K195 HydrophobicContact CE2-CD 3.94Å; I160-K195 HydrophobicContact CD1-CD 3.83Å; R191-K195 WeakPolarHBondContact O-CB 3.5Å; R191-K195 PolarHBondContact O-N 3.24Å; I193-K195 PolarHBondContact O-N 2.91Å; K195-G199 WeakPolarHBondContact O-CA 3.21Å; K195-G199 PolarHBondContact O-N 2.92Å; K195-M200 HydrophobicContact CG-CB 4.01Å; K195-M200 PolarHBondContact NZ-O 3.39Å; K195-M200 PolarHBondContact O-N 3.29Å; K195-I205 HydrophobicContact CB-CB 4.4Å; K195-I205 HydrophobicContact CB-CD1 3.86Å; K195-I205 HydrophobicContact CB-CG1 3.96Å; K195-I205 HydrophobicContact CD-CB 4.3Å; K195-I205 HydrophobicContact CD-CG1 4.36Å; K195-I205 HydrophobicContact CD-CG2 4.04Å; K195-I205 HydrophobicContact CG-CB 4.07Å; K195-I205 HydrophobicContact CG-CD1 4.45Å; K195-I205 HydrophobicContact CG-CG1 4.15Å; K195-I205 HydrophobicContact CG-CG2 4.34Å
196H92.6Very high92.3Very high88 Ų8833.2 Ų33.241%0.40719%0.189SC..Hα-helixtrans-71.6-45.7-179.5177.473.4000112.4L164 W167 G192 I193 V194 G199L164-H196 HydrophobicContact CD2-CB 3.64Å; W167-H196 AromaticContact CD1-CD2 3.85Å; W167-H196 AromaticContact NE1-CD2 3.48Å; W167-H196 PolarHBondContact NE1-CD2 3.14Å; W167-H196 AromaticContact NE1-NE2 3.68Å; G192-H196 PolarHBondContact O-N 3.3Å; I193-H196 WeakPolarHBondContact O-CB 3.26Å; I193-H196 PolarHBondContact O-N 3.38Å; I193-H196 VanDerWaalsContact O-N 3.17Å; V194-H196 PolarHBondContact O-N 2.82Å; H196-G199 PolarHBondContact O-N 3.43Å
197L93.1Very high91.7Very high13 Ų1338.5 Ų38.57%0.06821%0.214CC..Hα-helixtrans-60.9-46.8178.3-74.9174.2000112.2L6 W167 I193 V194 Y218 L220 L224 P226L6-L197 HydrophobicContact CD2-CD1 3.98Å; W167-L197 HydrophobicContact CH2-CD1 4.29Å; W167-L197 HydrophobicContact CH2-CD2 4Å; W167-L197 HydrophobicContact CH2-CG 4.44Å; W167-L197 HydrophobicContact CZ2-CD2 3.59Å; W167-L197 HydrophobicContact CZ2-CG 4.24Å; I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.78Å; V194-L197 PolarHBondContact O-N 3.25Å; L197-Y218 HydrophobicContact CD1-CD2 4.3Å; L197-Y218 HydrophobicContact CD1-CE2 4.32Å; L197-Y218 HydrophobicContact CD1-CG 4.48Å; L197-L220 HydrophobicContact CD2-CD1 4.4Å; L197-L220 HydrophobicContact CD2-CD2 4.14Å; L197-L224 WeakPolarHBondContact CD2-O 3.43Å; L197-P226 HydrophobicContact CB-CG 4.14Å; L197-P226 WeakPolarHBondContact O-CD 3.02Å
198E93.6Very high91.4Very high74 Ų7439.6 Ų39.635%0.34622%0.217SC..Hα-helixtrans-89.5-4.1-175.4-69.6-173.8-161.400113.6V194 M200 Y218 P226 M230V194-E198 WeakPolarHBondContact O-CB 3.12Å; V194-E198 PolarHBondContact O-N 2.98Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.73Å; E198-M200 HydrophobicContact CB-SD 4.49Å; E198-M200 PolarHBondContact O-N 2.66Å; E198-Y218 HydrophobicContact CG-CE1 4.19Å; E198-Y218 VanDerWaalsContact OE1-CE1 3.32Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.34Å; E198-Y218 PolarHBondContact OE1-OH 2.62Å; E198-P226 HydrophobicContact CG-CG 4.1Å; E198-M230 WeakPolarHBondContact OE1-CE 3.36Å
199G92.2Very high91Very high65 Ų6540.5 Ų40.567%0.6722%0.222SC*.THydrogen-bonded Turntrans61.334.5-176.600000113K195 H196K195-G199 WeakPolarHBondContact O-CA 3.21Å; K195-G199 PolarHBondContact O-N 2.92Å; H196-G199 PolarHBondContact O-N 3.43Å
200M92.3Very high90.8Very high33 Ų3340.5 Ų40.516%0.16322%0.222CC..  trans-67.5145.4-174.3-57.2178.878.500112.1V194 K195 E198 A204 I205 L208V194-M200 HydrophobicContact CG1-SD 3.93Å; K195-M200 HydrophobicContact CG-CB 4.01Å; K195-M200 PolarHBondContact NZ-O 3.39Å; K195-M200 PolarHBondContact O-N 3.29Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.73Å; E198-M200 HydrophobicContact CB-SD 4.49Å; E198-M200 PolarHBondContact O-N 2.66Å; M200-A204 HydrophobicContact CB-CB 4.28Å; M200-A204 HydrophobicContact CE-CB 3.84Å; M200-I205 HydrophobicContact CE-CD1 4.49Å; M200-I205 HydrophobicContact SD-CD1 3.84Å; M200-L208 HydrophobicContact CE-CB 4.32Å; M200-L208 HydrophobicContact CE-CD2 4.43Å; M200-L208 HydrophobicContact SD-CD2 4.15Å
201S93.3Very high90.6Very high56 Ų5640.6 Ų40.639%0.39222%0.223SC..  trans-66.5167.9168.786.40000111.5E203 A204 I205S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 WeakPolarHBondContact CB-OE2 3.49Å; S201-E203 PolarHBondContact OG-N 3.29Å; S201-E203 PolarHBondContact OG-OE2 3.25Å; S201-A204 PolarHBondContact OG-N 2.9Å; S201-A204 VanDerWaalsContact OG-N 3.14Å; S201-I205 PolarHBondContact O-N 3.4Å; S201-I205 VanDerWaalsContact O-N 3.15Å
202E90.4Very high90.7Very high84 Ų8441.4 Ų41.439%0.39323%0.229SC..Hα-helixtrans-64.7-38.8176.5-62.6-175.1178.600110.8F119 I205 M206F119-E202 HydrophobicContact CB-CB 4.33Å; F119-E202 HydrophobicContact CD1-CB 4.26Å; F119-E202 HydrophobicContact CD1-CG 3.68Å; F119-E202 WeakPolarHBondContact CD1-OE1 3.39Å; F119-E202 WeakPolarHBondContact CD1-OE2 3.36Å; F119-E202 HydrophobicContact CD2-CG 4.39Å; F119-E202 VanDerWaalsContact CE1-CD 3.44Å; F119-E202 HydrophobicContact CE1-CG 3.82Å; F119-E202 WeakPolarHBondContact CE1-OE1 3.4Å; F119-E202 HydrophobicContact CG-CB 4.15Å; F119-E202 HydrophobicContact CG-CG 3.99Å; F119-E202 HydrophobicContact CZ-CG 4.26Å; E202-I205 WeakPolarHBondContact O-CG2 3.32Å; E202-M206 VanDerWaalsContact O-CG 3.26Å; E202-M206 WeakPolarHBondContact O-CG 3.35Å; E202-M206 PolarHBondContact O-N 3.04Å
203E87.8Confident91Very high118 Ų11841.3 Ų41.355%0.55123%0.228SC*.Hα-helixtrans-66.1-45.8177.6-53.871.8-154.400111.7S201 I205 M206S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 WeakPolarHBondContact CB-OE2 3.49Å; S201-E203 PolarHBondContact OG-N 3.29Å; S201-E203 PolarHBondContact OG-OE2 3.25Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 2.74Å; E203-M206 PolarHBondContact O-N 2.86Å
204A88.6Confident91.1Very high42 Ų4241.4 Ų41.435%0.34723%0.229SC..Hα-helixtrans-62.9-41.3-179.500000111.5M200 S201 M206 E207 L208M200-A204 HydrophobicContact CB-CB 4.28Å; M200-A204 HydrophobicContact CE-CB 3.84Å; S201-A204 PolarHBondContact OG-N 2.9Å; S201-A204 VanDerWaalsContact OG-N 3.14Å; A204-M206 VanDerWaalsContact C-N 3.3Å; A204-M206 PolarHBondContact O-N 2.75Å; A204-E207 PolarHBondContact O-N 3.1Å; A204-L208 PolarHBondContact O-N 3.22Å
205I87.8Confident91.3Very high0 Ų041.4 Ų41.40%023%0.229CC..Hα-helixtrans-67.9-31.9-180-167.261.1000112F119 L156 R191 K195 M200 S201 E202 E203 E207 L208F119-I205 HydrophobicContact CD2-CG2 4.14Å; L156-I205 HydrophobicContact CD2-CG1 4.16Å; L156-I205 HydrophobicContact CD2-CG2 4.18Å; R191-I205 HydrophobicContact CB-CD1 3.88Å; R191-I205 HydrophobicContact CB-CG1 4.31Å; R191-I205 HydrophobicContact CG-CD1 4.28Å; R191-I205 PolarHBondContact NE-O 2.93Å; R191-I205 PolarHBondContact NH2-O 2.92Å; R191-I205 VanDerWaalsContact O-CD1 3.28Å; R191-I205 WeakPolarHBondContact O-CD1 3.44Å; K195-I205 HydrophobicContact CB-CB 4.4Å; K195-I205 HydrophobicContact CB-CD1 3.86Å; K195-I205 HydrophobicContact CB-CG1 3.96Å; K195-I205 HydrophobicContact CD-CB 4.3Å; K195-I205 HydrophobicContact CD-CG1 4.36Å; K195-I205 HydrophobicContact CD-CG2 4.04Å; K195-I205 HydrophobicContact CG-CB 4.07Å; K195-I205 HydrophobicContact CG-CD1 4.45Å; K195-I205 HydrophobicContact CG-CG1 4.15Å; K195-I205 HydrophobicContact CG-CG2 4.34Å; M200-I205 HydrophobicContact CE-CD1 4.49Å; M200-I205 HydrophobicContact SD-CD1 3.84Å; S201-I205 PolarHBondContact O-N 3.4Å; S201-I205 VanDerWaalsContact O-N 3.15Å; E202-I205 WeakPolarHBondContact O-CG2 3.32Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 2.74Å; I205-E207 PolarHBondContact O-N 2.98Å; I205-L208 HydrophobicContact CD1-CB 4.14Å; I205-L208 HydrophobicContact CD1-CD2 3.67Å; I205-L208 PolarHBondContact O-N 3.06Å
206M85Confident91.5Very high51 Ų5139.3 Ų39.325%0.25122%0.22SC..Hα-helixtrans-62.3-28.7178.5-71.9-165.6-73.300113.3R117 R191 E202 E203 A204R117-M206 WeakPolarHBondContact O-CG 3.49Å; R117-M206 VanDerWaalsContact O-SD 3.38Å; R191-M206 VanDerWaalsContact NH2-C 3.28Å; R191-M206 VanDerWaalsContact NH2-CA 3.32Å; R191-M206 PolarHBondContact NH2-O 3.23Å; E202-M206 VanDerWaalsContact O-CG 3.26Å; E202-M206 WeakPolarHBondContact O-CG 3.35Å; E202-M206 PolarHBondContact O-N 3.04Å; E203-M206 PolarHBondContact O-N 2.86Å; A204-M206 VanDerWaalsContact C-N 3.3Å; A204-M206 PolarHBondContact O-N 2.75Å
207E85.1Confident91.7Very high112 Ų11235.2 Ų35.252%0.52320%0.201SC..Hα-helixtrans-92.1-18.1179.1-65-5313900113.9R117 A204 I205 N209R117-E207 IonicContact NH1-OE1 3.52Å; R117-E207 IonicContact NH1-OE2 2.75Å; R117-E207 PolarHBondContact NH1-OE2 2.8Å; A204-E207 PolarHBondContact O-N 3.1Å; I205-E207 PolarHBondContact O-N 2.98Å; E207-N209 PolarHBondContact O-N 3.3Å; E207-N209 PolarHBondContact O-ND2 3.18Å
208L86.9Confident91.9Very high29 Ų2934.7 Ų34.715%0.15220%0.198CC..  trans-65.3122.7173.6-176.766.4000110.9R191 V194 M200 A204 I205 L210 M230R191-L208 WeakPolarHBondContact CD-O 3.32Å; R191-L208 HydrophobicContact CG-CD2 4.22Å; R191-L208 HydrophobicContact CG-CG 4.48Å; R191-L208 VanDerWaalsContact CZ-O 3.26Å; R191-L208 PolarHBondContact NE-O 3.42Å; R191-L208 PolarHBondContact NH2-O 2.83Å; V194-L208 HydrophobicContact CB-CD2 4.1Å; V194-L208 HydrophobicContact CG1-CD2 3.52Å; M200-L208 HydrophobicContact CE-CB 4.32Å; M200-L208 HydrophobicContact CE-CD2 4.43Å; M200-L208 HydrophobicContact SD-CD2 4.15Å; A204-L208 PolarHBondContact O-N 3.22Å; I205-L208 HydrophobicContact CD1-CB 4.14Å; I205-L208 HydrophobicContact CD1-CD2 3.67Å; I205-L208 PolarHBondContact O-N 3.06Å; L208-L210 HydrophobicContact CD1-CD2 4.07Å; L208-L210 HydrophobicContact CD2-CD2 4.07Å; L208-L210 HydrophobicContact CG-CD2 4.05Å; L208-M230 HydrophobicContact CD1-CE 4.16Å
209N84.8Confident92.1Very high27 Ų2734.6 Ų34.614%0.14420%0.198CC..  trans-122.8135.1164.2-42.6-95.6000109.1R117 E207 V246R117-N209 PolarHBondContact NH2-OD1 3.05Å; E207-N209 PolarHBondContact O-N 3.3Å; E207-N209 PolarHBondContact O-ND2 3.18Å; N209-V246 HydrophobicContact CB-CB 4.31Å; N209-V246 HydrophobicContact CB-CG1 3.64Å; N209-V246 HydrophobicContact CB-CG2 4.12Å; N209-V246 WeakPolarHBondContact O-CG1 3.34Å
210L90.4Very high92.4Very high1 Ų131.5 Ų31.51%0.00517%0.166CC..PPolyproline II helixtrans-97.2128.3-179.5-58.7178.5000109.3R10 L190 R191 L208 I216 M230R10-L210 VanDerWaalsContact CD-O 3.29Å; R10-L210 WeakPolarHBondContact CD-O 3.23Å; R10-L210 PolarHBondContact NH1-O 3.11Å; L190-L210 HydrophobicContact CB-CD1 3.51Å; R191-L210 HydrophobicContact CG-CD1 4.18Å; R191-L210 HydrophobicContact CG-CG 4.27Å; L208-L210 HydrophobicContact CD1-CD2 4.07Å; L208-L210 HydrophobicContact CD2-CD2 4.07Å; L208-L210 HydrophobicContact CG-CD2 4.05Å; L210-I216 HydrophobicContact CB-CD1 4.32Å; L210-I216 HydrophobicContact CD1-CD1 4.26Å; L210-I216 HydrophobicContact CD2-CD1 3.79Å; L210-I216 HydrophobicContact CG-CD1 4.33Å; L210-M230 HydrophobicContact CD2-SD 4.41Å
211P92.8Very high92.6Very high2 Ų231.9 Ų31.91%0.01317%0.168CC..PPolyproline II helixtrans-64.1154177.826.9-34.2000111.7R10 I214 F232 A242 M243 V246R10-P211 WeakPolarHBondContact CB-O 3.3Å; P211-I214 HydrophobicContact CB-CB 4.38Å; P211-I214 HydrophobicContact CB-CD1 4.04Å; P211-I214 HydrophobicContact CB-CG1 4.36Å; P211-I214 HydrophobicContact CG-CB 4.02Å; P211-I214 HydrophobicContact CG-CD1 4.19Å; P211-I214 HydrophobicContact CG-CG1 4.47Å; P211-I214 HydrophobicContact CG-CG2 4.45Å; P211-F232 HydrophobicContact CG-CD1 3.96Å; P211-F232 HydrophobicContact CG-CE1 3.75Å; P211-A242 HydrophobicContact CB-CB 3.77Å; P211-M243 HydrophobicContact CG-SD 4.49Å; P211-V246 HydrophobicContact CB-CG2 4.15Å
212T94.5Very high92.7Very high29 Ų2936.9 Ų36.918%0.17818%0.183CC..SBendtrans-79.7137.9176.6440000111.1R10 H11 E37 I214R10-T212 HydrophobicContact CG-CG2 4.45Å; R10-T212 VanDerWaalsContact CZ-CG2 3.49Å; H11-T212 WeakPolarHBondContact O-CB 3.44Å; H11-T212 WeakPolarHBondContact O-CG2 3.38Å; E37-T212 PolarHBondContact OE1-OG1 3.04Å; E37-T212 VanDerWaalsContact OE1-OG1 3.08Å; E37-T212 WeakPolarHBondContact OE2-CB 3.37Å; E37-T212 PolarHBondContact OE2-OG1 3.23Å; T212-I214 PolarHBondContact O-N 3.49Å
213G96.3Very high92.9Very high0 Ų038.9 Ų38.90%020%0.196CC..SBendtrans64.28.2172.600000116.7R10 G41R10-G213 WeakPolarHBondContact O-CA 3.42Å; R10-G213 PolarHBondContact O-N 3.42Å; G41-G213 WeakPolarHBondContact CA-O 3.22Å
214I97.4Very high93.2Very high2 Ų234.1 Ų34.11%0.0117%0.174CC..  trans-99.2120.9174.9-63.4-172.6000108.9P211 T212 F232 T238 V239 A242P211-I214 HydrophobicContact CB-CB 4.38Å; P211-I214 HydrophobicContact CB-CD1 4.04Å; P211-I214 HydrophobicContact CB-CG1 4.36Å; P211-I214 HydrophobicContact CG-CB 4.02Å; P211-I214 HydrophobicContact CG-CD1 4.19Å; P211-I214 HydrophobicContact CG-CG1 4.47Å; P211-I214 HydrophobicContact CG-CG2 4.45Å; T212-I214 PolarHBondContact O-N 3.49Å; I214-F232 HydrophobicContact CG2-CB 3.85Å; I214-F232 HydrophobicContact CG2-CD1 3.93Å; I214-F232 HydrophobicContact CG2-CG 4.33Å; I214-T238 HydrophobicContact CD1-CG2 4.15Å; I214-V239 HydrophobicContact CD1-CG2 4.48Å; I214-A242 HydrophobicContact CD1-CB 3.23Å; I214-A242 HydrophobicContact CG1-CB 4.41Å
215P98.3Very high93.6Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-62.9136.8173.1-15.626.1000111.7V7 I9 G41 L45 F232 L233V7-P215 HydrophobicContact CG1-CB 3.97Å; I9-P215 HydrophobicContact CD1-CG 4.21Å; G41-P215 VanDerWaalsContact O-CG 3.29Å; G41-P215 WeakPolarHBondContact O-CG 3.48Å; L45-P215 HydrophobicContact CD1-CB 4.17Å; L45-P215 HydrophobicContact CD1-CG 3.95Å; L45-P215 HydrophobicContact CD2-CB 3.95Å; L45-P215 HydrophobicContact CD2-CG 4.25Å; L45-P215 HydrophobicContact CG-CB 4.01Å; L45-P215 HydrophobicContact CG-CG 3.76Å; P215-F232 WeakPolarHBondContact O-CA 2.99Å; P215-L233 HydrophobicContact CB-CB 4.2Å; P215-L233 HydrophobicContact CB-CD1 4.38Å; P215-L233 HydrophobicContact CG-CB 4.37Å; P215-L233 PolarHBondContact O-N 2.69Å
216I97.8Very high94Very high0 Ų040.2 Ų40.20%020%0.197CC..EExtended strand (participates in β ladder)trans-114.3117.6178.5-50.2173.4000107.3V7 L8 L210 Y218 M230 Q231 F232V7-I216 CarbonylContact C-O 3.52Å; V7-I216 WeakPolarHBondContact CA-O 3.15Å; L8-I216 HydrophobicContact CB-CB 4.29Å; L8-I216 PolarHBondContact N-O 3.34Å; L8-I216 PolarHBondContact O-N 2.9Å; L210-I216 HydrophobicContact CB-CD1 4.32Å; L210-I216 HydrophobicContact CD1-CD1 4.26Å; L210-I216 HydrophobicContact CD2-CD1 3.79Å; L210-I216 HydrophobicContact CG-CD1 4.33Å; I216-Y218 HydrophobicContact CG2-CD2 4.46Å; I216-Y218 HydrophobicContact CG2-CE2 4.05Å; I216-M230 HydrophobicContact CG2-CB 3.8Å; I216-M230 HydrophobicContact CG2-CG 4.09Å; I216-M230 HydrophobicContact CG2-SD 4.05Å; I216-Q231 CarbonylContact C-O 3.56Å; I216-Q231 WeakPolarHBondContact CA-O 3.39Å; I216-F232 HydrophobicContact CD1-CE1 3.99Å; I216-F232 HydrophobicContact CG1-CD1 3.88Å; I216-F232 HydrophobicContact CG1-CE1 3.74Å; I216-F232 HydrophobicContact CG2-CE1 4.48Å
217V97.9Very high94.5Very high2 Ų240.9 Ų40.91%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-100.2133.1-178.7179.80000109.8V7 Y50 Q231 L233V7-V217 HydrophobicContact CG2-CG2 4.2Å; Y50-V217 HydrophobicContact CE1-CG1 4.35Å; Y50-V217 HydrophobicContact CE1-CG2 4.22Å; Y50-V217 WeakPolarHBondContact OH-CG1 3.45Å; Y50-V217 WeakPolarHBondContact OH-CG2 3.47Å; V217-Q231 HydrophobicContact CB-CB 4.33Å; V217-Q231 PolarHBondContact N-O 3.44Å; V217-Q231 PolarHBondContact O-N 2.94Å; V217-L233 HydrophobicContact CG2-CD1 3.36Å; V217-L233 HydrophobicContact CG2-CD2 4.17Å; V217-L233 HydrophobicContact CG2-CG 3.55Å
218Y97.9Very high94.9Very high1 Ų137.3 Ų37.30%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-114.9133.9165.4-80.4-82.4000111K5 L6 L8 V194 L197 E198 I216 L220 P226 M230K5-Y218 WeakPolarHBondContact CA-O 3.42Å; L6-Y218 PolarHBondContact N-O 3.48Å; L6-Y218 PolarHBondContact O-N 3.26Å; L8-Y218 HydrophobicContact CD1-CD2 4.21Å; L8-Y218 HydrophobicContact CD1-CE2 3.95Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.45Å; V194-Y218 HydrophobicContact CG2-CE2 4.24Å; L197-Y218 HydrophobicContact CD1-CD2 4.3Å; L197-Y218 HydrophobicContact CD1-CE2 4.32Å; L197-Y218 HydrophobicContact CD1-CG 4.48Å; E198-Y218 HydrophobicContact CG-CE1 4.19Å; E198-Y218 VanDerWaalsContact OE1-CE1 3.32Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.34Å; E198-Y218 PolarHBondContact OE1-OH 2.62Å; I216-Y218 HydrophobicContact CG2-CD2 4.46Å; I216-Y218 HydrophobicContact CG2-CE2 4.05Å; Y218-L220 HydrophobicContact CD1-CD2 4.38Å; Y218-L220 HydrophobicContact CG-CD2 4.43Å; Y218-P226 HydrophobicContact CD1-CB 4Å; Y218-P226 HydrophobicContact CD1-CG 3.83Å; Y218-P226 HydrophobicContact CE1-CB 4.22Å; Y218-P226 HydrophobicContact CE1-CG 3.87Å; Y218-M230 HydrophobicContact CD1-CB 4.44Å; Y218-M230 HydrophobicContact CE1-CB 3.74Å; Y218-M230 HydrophobicContact CE2-CB 3.97Å; Y218-M230 VanDerWaalsContact CZ-CB 3.48Å; Y218-M230 WeakPolarHBondContact OH-CE 3.25Å
219E96.9Very high95.2Very high73 Ų7341 Ų4134%0.34122%0.223SC..EExtended strand (participates in β ladder)trans-97.7125159.3-65-162.1156.300108.9A2 Y4 K5 P226 T227A2-E219 HydrophobicContact CB-CB 3.8Å; A2-E219 HydrophobicContact CB-CG 4.34Å; Y4-E219 WeakPolarHBondContact O-CA 3.37Å; K5-E219 WeakPolarHBondContact CE-OE1 3.37Å; K5-E219 IonicContact NZ-OE1 3.88Å; E219-P226 CarbonylContact O-C 3.58Å; E219-P226 WeakPolarHBondContact O-CA 3.37Å; E219-T227 WeakPolarHBondContact CB-OG1 3.46Å; E219-T227 PolarHBondContact O-N 3.4Å; E219-T227 PolarHBondContact O-OG1 2.91Å
220L97.6Very high95.6Very high0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-119.2142.8-172.6-56.3177.8000110.9A3 Y4 L6 L197 Y218 L224 K225 P226A3-L220 PolarHBondContact N-O 2.86Å; Y4-L220 PolarHBondContact N-O 3.38Å; Y4-L220 PolarHBondContact O-N 3.22Å; L6-L220 HydrophobicContact CB-CD1 4.18Å; L6-L220 HydrophobicContact CD2-CD1 4.29Å; L197-L220 HydrophobicContact CD2-CD1 4.4Å; L197-L220 HydrophobicContact CD2-CD2 4.14Å; Y218-L220 HydrophobicContact CD1-CD2 4.38Å; Y218-L220 HydrophobicContact CG-CD2 4.43Å; L220-L224 HydrophobicContact CD1-CD2 4.35Å; L220-K225 CarbonylContact C-O 3.56Å; L220-K225 WeakPolarHBondContact CA-O 3.47Å; L220-P226 HydrophobicContact CD2-CB 4.43Å; L220-P226 HydrophobicContact CD2-CG 4.02Å
221D96.6Very high95.8Very high40 Ų4045.9 Ų45.921%0.21425%0.245CC..  trans-76.5-179.2170.778.43.2000112.1Y4 N223 L224 K225 T227Y4-D221 WeakPolarHBondContact CD2-O 3.24Å; Y4-D221 WeakPolarHBondContact CE2-O 3.44Å; D221-N223 PolarHBondContact O-N 3.16Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.25Å; D221-N223 VanDerWaalsContact OD1-CA 3.25Å; D221-N223 WeakPolarHBondContact OD1-CA 3.36Å; D221-N223 WeakPolarHBondContact OD1-CB 3.48Å; D221-N223 PolarHBondContact OD1-N 3.37Å; D221-L224 PolarHBondContact O-N 2.93Å; D221-L224 PolarHBondContact OD1-N 3.47Å; D221-K225 PolarHBondContact N-O 2.89Å; D221-K225 PolarHBondContact OD1-N 3.43Å; D221-T227 HydrophobicContact CB-CG2 3.77Å
222K95.8Very high95.9Very high162 Ų16248.3 Ų48.370%0.70426%0.255SS*.THydrogen-bonded Turntrans-61.3-20.6179.3-66.7-175.4179.5-178.70113.9A3A3-K222 HydrophobicContact CB-CG 3.86Å
223N94.4Very high95.9Very high126 Ų12648.4 Ų48.467%0.67425%0.254SS*.THydrogen-bonded Turntrans-96.79177.4-57.6-49000112.2D221 K225D221-N223 PolarHBondContact O-N 3.16Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.25Å; D221-N223 VanDerWaalsContact OD1-CA 3.25Å; D221-N223 WeakPolarHBondContact OD1-CA 3.36Å; D221-N223 WeakPolarHBondContact OD1-CB 3.48Å; D221-N223 PolarHBondContact OD1-N 3.37Å; N223-K225 PolarHBondContact O-N 3.3Å
224L94.9Very high95.7Very high17 Ų1750.2 Ų50.29%0.08927%0.273CS..SBendtrans63.325.1-177.6-51.3-176.2000114.1Y4 V172 I175 K176 L197 L220 D221Y4-L224 HydrophobicContact CD2-CD2 3.54Å; Y4-L224 HydrophobicContact CE2-CD2 3.74Å; Y4-L224 HydrophobicContact CG-CD2 4.48Å; V172-L224 HydrophobicContact CB-CD1 4.01Å; V172-L224 HydrophobicContact CG1-CD1 3.61Å; V172-L224 HydrophobicContact CG2-CD1 3.61Å; I175-L224 HydrophobicContact CB-CD2 4.36Å; I175-L224 HydrophobicContact CG2-CD2 3.59Å; K176-L224 HydrophobicContact CG-CD1 4.46Å; L197-L224 WeakPolarHBondContact CD2-O 3.43Å; L220-L224 HydrophobicContact CD1-CD2 4.35Å; D221-L224 PolarHBondContact O-N 2.93Å; D221-L224 PolarHBondContact OD1-N 3.47Å
225K95.8Very high95.3Very high137 Ų13753.9 Ų53.960%0.59629%0.293SS*.  trans-88.5136.8170.6-66.1-169.7174.8-1730110.3L220 D221 N223 T227L220-K225 CarbonylContact C-O 3.56Å; L220-K225 WeakPolarHBondContact CA-O 3.47Å; D221-K225 PolarHBondContact N-O 2.89Å; D221-K225 PolarHBondContact OD1-N 3.43Å; N223-K225 PolarHBondContact O-N 3.3Å; K225-T227 PolarHBondContact O-N 3.22Å
226P96.6Very high94.7Very high34 Ų3462.3 Ų62.322%0.22133%0.332CS..BIsolated β-bridgetrans-54129.8171.7-27.136.2000111.9L197 E198 Y218 E219 L220 G228L197-P226 HydrophobicContact CB-CG 4.14Å; L197-P226 WeakPolarHBondContact O-CD 3.02Å; E198-P226 HydrophobicContact CG-CG 4.1Å; Y218-P226 HydrophobicContact CD1-CB 4Å; Y218-P226 HydrophobicContact CD1-CG 3.83Å; Y218-P226 HydrophobicContact CE1-CB 4.22Å; Y218-P226 HydrophobicContact CE1-CG 3.87Å; E219-P226 CarbonylContact O-C 3.58Å; E219-P226 WeakPolarHBondContact O-CA 3.37Å; L220-P226 HydrophobicContact CD2-CB 4.43Å; L220-P226 HydrophobicContact CD2-CG 4.02Å; P226-G228 VanDerWaalsContact C-N 3.3Å; P226-G228 WeakPolarHBondContact CB-O 3.07Å
227T96.4Very high94.2Very high65 Ų6567.2 Ų67.240%0.39936%0.355SS..SBendtrans-87.1-3.6174.450.90000113.1E219 D221 K225E219-T227 WeakPolarHBondContact CB-OG1 3.46Å; E219-T227 PolarHBondContact O-N 3.4Å; E219-T227 PolarHBondContact O-OG1 2.91Å; D221-T227 HydrophobicContact CB-CG2 3.77Å; K225-T227 PolarHBondContact O-N 3.22Å
228G93.9Very high93.7Very high36 Ų3668.3 Ų68.337%0.37136%0.362SS..SBendtrans-166-178.7178.500000110.8P226P226-G228 VanDerWaalsContact C-N 3.3Å; P226-G228 WeakPolarHBondContact CB-O 3.07Å
229P91.9Very high93.1Very high108 Ų10869.5 Ų69.570%0.70137%0.369SS*.  trans-65.6154.1176.629.3-34.9000111.3
230M93.5Very high92.7Very high32 Ų3272 Ų7216%0.15838%0.376CS..  trans-58138.9169.779.7-178.47800110.3V194 E198 L208 L210 I216 Y218 F232V194-M230 HydrophobicContact CG1-CE 3.8Å; E198-M230 WeakPolarHBondContact OE1-CE 3.36Å; L208-M230 HydrophobicContact CD1-CE 4.16Å; L210-M230 HydrophobicContact CD2-SD 4.41Å; I216-M230 HydrophobicContact CG2-CB 3.8Å; I216-M230 HydrophobicContact CG2-CG 4.09Å; I216-M230 HydrophobicContact CG2-SD 4.05Å; Y218-M230 HydrophobicContact CD1-CB 4.44Å; Y218-M230 HydrophobicContact CE1-CB 3.74Å; Y218-M230 HydrophobicContact CE2-CB 3.97Å; Y218-M230 VanDerWaalsContact CZ-CB 3.48Å; Y218-M230 WeakPolarHBondContact OH-CE 3.25Å; M230-F232 HydrophobicContact CG-CE2 4.37Å; M230-F232 HydrophobicContact CG-CZ 4.24Å; M230-F232 HydrophobicContact SD-CE1 4.43Å; M230-F232 HydrophobicContact SD-CZ 3.85Å
231Q94.6Very high92.2Very high98 Ų9877.1 Ų77.146%0.45840%0.398SS..EExtended strand (participates in β ladder)trans-112.8133.2-178.9-63.5177.9-1300110.4I216 V217I216-Q231 CarbonylContact C-O 3.56Å; I216-Q231 WeakPolarHBondContact CA-O 3.39Å; V217-Q231 HydrophobicContact CB-CB 4.33Å; V217-Q231 PolarHBondContact N-O 3.44Å; V217-Q231 PolarHBondContact O-N 2.94Å
232F95.3Very high91.5Very high52 Ų5276.2 Ų76.223%0.22840%0.395CS..EExtended strand (participates in β ladder)trans-93.5125174.8-63.2-72.3000109.7P211 I214 P215 I216 M230 V239 M243P211-F232 HydrophobicContact CG-CD1 3.96Å; P211-F232 HydrophobicContact CG-CE1 3.75Å; I214-F232 HydrophobicContact CG2-CB 3.85Å; I214-F232 HydrophobicContact CG2-CD1 3.93Å; I214-F232 HydrophobicContact CG2-CG 4.33Å; P215-F232 WeakPolarHBondContact O-CA 2.99Å; I216-F232 HydrophobicContact CD1-CE1 3.99Å; I216-F232 HydrophobicContact CG1-CD1 3.88Å; I216-F232 HydrophobicContact CG1-CE1 3.74Å; I216-F232 HydrophobicContact CG2-CE1 4.48Å; M230-F232 HydrophobicContact CG-CE2 4.37Å; M230-F232 HydrophobicContact CG-CZ 4.24Å; M230-F232 HydrophobicContact SD-CE1 4.43Å; M230-F232 HydrophobicContact SD-CZ 3.85Å; F232-V239 HydrophobicContact CB-CG1 3.69Å; F232-V239 HydrophobicContact CB-CG2 4.14Å; F232-V239 HydrophobicContact CD2-CG1 4.43Å; F232-V239 HydrophobicContact CG-CG1 4.31Å; F232-M243 HydrophobicContact CD2-SD 4.17Å; F232-M243 HydrophobicContact CE1-SD 4.49Å; F232-M243 HydrophobicContact CE2-CE 4.1Å; F232-M243 HydrophobicContact CE2-SD 3.68Å; F232-M243 HydrophobicContact CZ-CE 4.46Å; F232-M243 HydrophobicContact CZ-SD 3.87Å
233L95.1Very high90.7Very high31 Ų3172 Ų7216%0.16238%0.379CS..  trans-92.9131.2177-65.8180000111.6A44 L45 Y50 P215 V217A44-L233 HydrophobicContact CB-CB 4.35Å; L45-L233 HydrophobicContact CD2-CD1 3.61Å; Y50-L233 HydrophobicContact CD2-CD1 4Å; Y50-L233 HydrophobicContact CE2-CD1 3.53Å; P215-L233 HydrophobicContact CB-CB 4.2Å; P215-L233 HydrophobicContact CB-CD1 4.38Å; P215-L233 HydrophobicContact CG-CB 4.37Å; P215-L233 PolarHBondContact O-N 2.69Å; V217-L233 HydrophobicContact CG2-CD1 3.36Å; V217-L233 HydrophobicContact CG2-CD2 4.17Å; V217-L233 HydrophobicContact CG2-CG 3.55Å
234G91.5Very high90.1Very high38 Ų3870.8 Ų70.839%0.39237%0.37SS..SBendtrans155.6175.8178.300000110.3
235D88.7Confident89.4Confident79 Ų7972.5 Ų72.542%0.42239%0.386SS..  trans-64.2147.7169.166.793.8000110.6E237 T238 V239D235-E237 PolarHBondContact O-N 3.38Å; D235-E237 PolarHBondContact OD1-N 3.43Å; D235-T238 VanDerWaalsContact CG-CB 3.49Å; D235-T238 PolarHBondContact O-N 2.96Å; D235-T238 WeakPolarHBondContact OD1-CB 3.25Å; D235-T238 PolarHBondContact OD1-N 3.45Å; D235-T238 PolarHBondContact OD1-OG1 2.93Å; D235-T238 VanDerWaalsContact OD1-OG1 3.06Å; D235-T238 WeakPolarHBondContact OD2-CB 3.28Å; D235-T238 PolarHBondContact OD2-OG1 2.86Å; D235-V239 PolarHBondContact O-N 3.35Å
236E85.3Confident88.3Confident178 Ų17866.5 Ų66.583%0.83236%0.361SS*.Hα-helixtrans-56.2-37.3-173.9-67.4-174.416700112.4R240E236-R240 WeakPolarHBondContact O-CB 3.39Å; E236-R240 PolarHBondContact O-N 2.92Å
237E88.4Confident87.1Confident102 Ų10267.5 Ų67.548%0.47737%0.372SS..Hα-helixtrans-69.5-44.2-178.6-167.6-177.3171.900111.6D235 R240 K241D235-E237 PolarHBondContact O-N 3.38Å; D235-E237 PolarHBondContact OD1-N 3.43Å; E237-R240 PolarHBondContact O-N 2.97Å; E237-K241 HydrophobicContact CG-CD 4.29Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CG 3.47Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 WeakPolarHBondContact OE1-CE 3.47Å; E237-K241 IonicContact OE1-NZ 3.54Å; E237-K241 PolarHBondContact OE1-NZ 3.47Å
238T86.2Confident85.9Confident25 Ų2567.1 Ų67.115%0.15338%0.375CS..Hα-helixtrans-59.3-49.3174.4-72.90000111.2I214 D235 K241 A242I214-T238 HydrophobicContact CD1-CG2 4.15Å; D235-T238 VanDerWaalsContact CG-CB 3.49Å; D235-T238 PolarHBondContact O-N 2.96Å; D235-T238 WeakPolarHBondContact OD1-CB 3.25Å; D235-T238 PolarHBondContact OD1-N 3.45Å; D235-T238 PolarHBondContact OD1-OG1 2.93Å; D235-T238 VanDerWaalsContact OD1-OG1 3.06Å; D235-T238 WeakPolarHBondContact OD2-CB 3.28Å; D235-T238 PolarHBondContact OD2-OG1 2.86Å; T238-K241 PolarHBondContact O-N 3.32Å; T238-A242 VanDerWaalsContact O-CB 3.3Å; T238-A242 WeakPolarHBondContact O-CB 3.4Å; T238-A242 PolarHBondContact O-N 2.82Å
239V86.2Confident84.4Confident26 Ų2669.7 Ų69.716%0.15838%0.378CS..Hα-helixtrans-62.2-46.9-1801750000110I214 F232 D235 K241 A242 M243I214-V239 HydrophobicContact CD1-CG2 4.48Å; F232-V239 HydrophobicContact CB-CG1 3.69Å; F232-V239 HydrophobicContact CB-CG2 4.14Å; F232-V239 HydrophobicContact CD2-CG1 4.43Å; F232-V239 HydrophobicContact CG-CG1 4.31Å; D235-V239 PolarHBondContact O-N 3.35Å; V239-K241 PolarHBondContact O-N 2.99Å; V239-A242 PolarHBondContact O-N 2.68Å; V239-M243 HydrophobicContact CG1-CG 4.33Å; V239-M243 WeakPolarHBondContact O-CB 3.43Å; V239-M243 VanDerWaalsContact O-CG 3.26Å; V239-M243 WeakPolarHBondContact O-CG 3.3Å; V239-M243 PolarHBondContact O-N 3.47Å
240R87.3Confident82.4Confident127 Ų12766.3 Ų66.348%0.47936%0.362SS..Hα-helixtrans-57.7-51.4177.3-175.2-17566.592.4-3.9111.9E236 E237 A242 M243 E244E236-R240 WeakPolarHBondContact O-CB 3.39Å; E236-R240 PolarHBondContact O-N 2.92Å; E237-R240 PolarHBondContact O-N 2.97Å; R240-A242 VanDerWaalsContact C-N 3.31Å; R240-A242 PolarHBondContact O-N 3.49Å; R240-M243 PolarHBondContact O-N 2.88Å; R240-E244 IonicContact CZ-OE1 3.5Å; R240-E244 IonicContact NH1-OE1 2.93Å; R240-E244 PolarHBondContact NH1-OE1 3.39Å; R240-E244 IonicContact NH1-OE2 3.39Å; R240-E244 PolarHBondContact NH1-OE2 3.38Å; R240-E244 WeakPolarHBondContact O-CG 3.35Å; R240-E244 PolarHBondContact O-N 3.36Å
241K87.1Confident80.3Confident107 Ų10772.4 Ų72.447%0.46539%0.388SS..Hα-helixtrans-60.3-40.7179.5-77.6178.5-178.2167.50112E237 T238 V239 E244 A245E237-K241 HydrophobicContact CG-CD 4.29Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CG 3.47Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 WeakPolarHBondContact OE1-CE 3.47Å; E237-K241 IonicContact OE1-NZ 3.54Å; E237-K241 PolarHBondContact OE1-NZ 3.47Å; T238-K241 PolarHBondContact O-N 3.32Å; V239-K241 PolarHBondContact O-N 2.99Å; K241-E244 PolarHBondContact O-N 2.97Å; K241-A245 WeakPolarHBondContact O-CB 3.37Å; K241-A245 PolarHBondContact O-N 3.17Å
242A81.6Confident77.9Confident20 Ų2070.7 Ų70.717%0.16539%0.391CS..Hα-helixtrans-68.2-38.9179.100000112.1P211 I214 T238 V239 R240 A245 V246P211-A242 HydrophobicContact CB-CB 3.77Å; I214-A242 HydrophobicContact CD1-CB 3.23Å; I214-A242 HydrophobicContact CG1-CB 4.41Å; T238-A242 VanDerWaalsContact O-CB 3.3Å; T238-A242 WeakPolarHBondContact O-CB 3.4Å; T238-A242 PolarHBondContact O-N 2.82Å; V239-A242 PolarHBondContact O-N 2.68Å; R240-A242 VanDerWaalsContact C-N 3.31Å; R240-A242 PolarHBondContact O-N 3.49Å; A242-A245 PolarHBondContact O-N 3Å; A242-V246 WeakPolarHBondContact O-CB 3.41Å; A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 3.45Å
243M79.7Confident75.3Confident74 Ų7478.2 Ų78.237%0.36542%0.423SS..Hα-helixtrans-65.3-40.2173.7-69.6-57.9-66.200112P211 F232 V239 R240 V246 A247P211-M243 HydrophobicContact CG-SD 4.49Å; F232-M243 HydrophobicContact CD2-SD 4.17Å; F232-M243 HydrophobicContact CE1-SD 4.49Å; F232-M243 HydrophobicContact CE2-CE 4.1Å; F232-M243 HydrophobicContact CE2-SD 3.68Å; F232-M243 HydrophobicContact CZ-CE 4.46Å; F232-M243 HydrophobicContact CZ-SD 3.87Å; V239-M243 HydrophobicContact CG1-CG 4.33Å; V239-M243 WeakPolarHBondContact O-CB 3.43Å; V239-M243 VanDerWaalsContact O-CG 3.26Å; V239-M243 WeakPolarHBondContact O-CG 3.3Å; V239-M243 PolarHBondContact O-N 3.47Å; R240-M243 PolarHBondContact O-N 2.88Å; M243-V246 WeakPolarHBondContact O-CB 3.31Å; M243-V246 PolarHBondContact O-N 3.47Å; M243-A247 WeakPolarHBondContact O-CB 3.29Å; M243-A247 PolarHBondContact O-N 3.35Å
244E83.1Confident72.3Confident101 Ų10189.9 Ų89.947%0.47247%0.473SS..Hα-helixtrans-63.1-45.2173.4-74.4172.3-174.500111.9R240 K241 V246 A247 A248R240-E244 IonicContact CZ-OE1 3.5Å; R240-E244 IonicContact NH1-OE1 2.93Å; R240-E244 PolarHBondContact NH1-OE1 3.39Å; R240-E244 IonicContact NH1-OE2 3.39Å; R240-E244 PolarHBondContact NH1-OE2 3.38Å; R240-E244 WeakPolarHBondContact O-CG 3.35Å; R240-E244 PolarHBondContact O-N 3.36Å; K241-E244 PolarHBondContact O-N 2.97Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.31Å; E244-A247 PolarHBondContact O-N 3.1Å; E244-A248 WeakPolarHBondContact O-CB 3.35Å; E244-A248 PolarHBondContact O-N 3.36Å
245A80.1Confident71.3Confident53 Ų5392.5 Ų92.544%0.43848%0.477SS..Hα-helixtrans-62.6-41.7176.900000111.7K241 A242 A248 Q249K241-A245 WeakPolarHBondContact O-CB 3.37Å; K241-A245 PolarHBondContact O-N 3.17Å; A242-A245 PolarHBondContact O-N 3Å; A245-A248 PolarHBondContact O-N 3.26Å; A245-Q249 WeakPolarHBondContact O-CG 3.13Å; A245-Q249 PolarHBondContact O-N 3.17Å; A245-Q249 VanDerWaalsContact O-N 3.16Å
246V72.4Confident70.4Confident11 Ų1193.2 Ų93.27%0.06748%0.479CS..Hα-helixtrans-57.1-49.4171.8140.40000111.3N209 P211 A242 M243 E244 A248 Q249N209-V246 HydrophobicContact CB-CB 4.31Å; N209-V246 HydrophobicContact CB-CG1 3.64Å; N209-V246 HydrophobicContact CB-CG2 4.12Å; N209-V246 WeakPolarHBondContact O-CG1 3.34Å; P211-V246 HydrophobicContact CB-CG2 4.15Å; A242-V246 WeakPolarHBondContact O-CB 3.41Å; A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 3.45Å; M243-V246 WeakPolarHBondContact O-CB 3.31Å; M243-V246 PolarHBondContact O-N 3.47Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.31Å; V246-A248 VanDerWaalsContact C-N 3.27Å; V246-A248 PolarHBondContact O-N 3.42Å; V246-Q249 PolarHBondContact O-N 2.85Å
247A70.3Confident69.5Low55 Ų5588.5 Ų88.546%0.45546%0.46SS..Hα-helixtrans-64-34179.800000111.9M243 E244M243-A247 WeakPolarHBondContact O-CB 3.29Å; M243-A247 PolarHBondContact O-N 3.35Å; E244-A247 PolarHBondContact O-N 3.1Å
248A72.7Confident68.4Low56 Ų5687.7 Ų87.746%0.46346%0.459SS..Hα-helixtrans-70.1-28.317700000113.4E244 A245 V246 G250 K251E244-A248 WeakPolarHBondContact O-CB 3.35Å; E244-A248 PolarHBondContact O-N 3.36Å; A245-A248 PolarHBondContact O-N 3.26Å; V246-A248 VanDerWaalsContact C-N 3.27Å; V246-A248 PolarHBondContact O-N 3.42Å; A248-G250 PolarHBondContact O-N 2.99Å; A248-G250 VanDerWaalsContact O-N 3.1Å; A248-K251 PolarHBondContact O-N 2.9Å
249Q62.4Low67.3Low91 Ų9191.6 Ų91.643%0.42548%0.478SS..THydrogen-bonded Turntrans-64-15.6178-73.1175.916.500114.2A245 V246A245-Q249 WeakPolarHBondContact O-CG 3.13Å; A245-Q249 PolarHBondContact O-N 3.17Å; A245-Q249 VanDerWaalsContact O-N 3.16Å; V246-Q249 PolarHBondContact O-N 2.85Å
250G49.6Very low66.1Low36 Ų3696 Ų9637%0.37150%0.499SS..THydrogen-bonded Turntrans-93.3-8.4173.100000114.9A248A248-G250 PolarHBondContact O-N 2.99Å; A248-G250 VanDerWaalsContact O-N 3.1Å
251K49.4Very low64.6Low161 Ų16193.8 Ų93.870%0.750%0.501SS*.SBendtrans-100.2136.4179.1-63.9-178.4179.9178.30109A248 K253A248-K251 PolarHBondContact O-N 2.9Å; K251-K253 PolarHBondContact O-N 3.46Å
252A43.3Very low62.8Low62 Ų6292.8 Ų92.851%0.51250%0.504SS..  trans-57.4132.9171.500000108.9K254A252-K254 PolarHBondContact O-N 3.14Å; A252-K254 VanDerWaalsContact O-N 3.14Å
253K40.5Very low61.3Low210 Ų21098.8 Ų98.891%0.91353%0.532SS*.  trans-68.2109.7162.1-79-172.2175-175.80105.3K251K251-K253 PolarHBondContact O-N 3.46Å
254K31.7Very low59.6Low276 Ų276101.1 Ų101.1100%1.255%0.547SS*.  trans-610167.9-77.8-172.3175.9-1760110.1A252A252-K254 PolarHBondContact O-N 3.14Å; A252-K254 VanDerWaalsContact O-N 3.14Å

Retrieved 254 of 254 residues in 473.1 ms (Link to these results)

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