A0A060Y3N4_ONCMY Loading...

Phosphoglycerate mutase

AlphaFold DB , UniProt , Accession A0A060Y3N4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118940026, 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
1M71.9Confident93.8Very high219 Ų21944.4 Ų44.4100%1.07924%0.235SC*.  0136.70-70.5-169.7-76.100107.7A3M1-A3 PolarHBondContact O-N 3.35Å
2A84.7Confident94.1Very high49 Ų4940.7 Ų40.741%0.40522%0.216SC..  trans-59.6132.1173.400000109.8E219 V227A2-E219 HydrophobicContact CB-CB 3.88Å; A2-E219 HydrophobicContact CB-CG 4.36Å; A2-V227 HydrophobicContact CB-CG2 3.95Å
3A91.8Very high94.3Very high45 Ų4540.5 Ų40.537%0.37221%0.213SC..  trans-108.2-32.8175.200000111.5M1 L220 K222M1-A3 PolarHBondContact O-N 3.35Å; A3-L220 PolarHBondContact N-O 2.85Å; A3-K222 HydrophobicContact CB-CG 3.88Å
4Y97.4Very high94.5Very high45 Ų4537.6 Ų37.618%0.17620%0.198CC..EExtended strand (participates in β ladder)trans-136.1154.9-174.4-45.3-70.3000112I175 E219 L220 D221 L224Y4-I175 HydrophobicContact CD1-CG2 4.17Å; Y4-I175 WeakPolarHBondContact CD1-O 3.49Å; Y4-I175 HydrophobicContact CD2-CG2 4Å; Y4-I175 WeakPolarHBondContact CE1-O 3.33Å; Y4-I175 HydrophobicContact CG-CG2 3.67Å; Y4-E219 WeakPolarHBondContact O-CA 3.35Å; Y4-L220 HydrophobicContact CD2-CB 4.47Å; Y4-L220 PolarHBondContact N-O 3.29Å; Y4-L220 PolarHBondContact O-N 2.95Å; Y4-D221 VanDerWaalsContact CD2-O 3.31Å; Y4-D221 WeakPolarHBondContact CD2-O 3.44Å; Y4-D221 WeakPolarHBondContact CE2-O 3.48Å; Y4-L224 HydrophobicContact CD2-CD2 3.55Å; Y4-L224 HydrophobicContact CE2-CD2 3.73Å; Y4-L224 HydrophobicContact CG-CD2 4.47Å
5K95.6Very high94.6Very high106 Ų10638.1 Ų38.146%0.46121%0.205SC..EExtended strand (participates in β ladder)trans-117.2135.7171.5-65.2-172.8177.8-173.70110Y50 Y218K5-Y50 HydrophobicContact CD-CE1 4.27Å; K5-Y218 WeakPolarHBondContact CA-O 3.45Å
6L98.2Very high94.6Very high1 Ų137.3 Ų37.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-131137.3176.9169.469.9000108.9L8 W167 I175 V181 I183 L197 Y218 L220L6-L8 HydrophobicContact CD1-CD2 3.97Å; L6-L8 HydrophobicContact CD2-CD2 3.95Å; L6-L8 HydrophobicContact CD2-CG 4.39Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.36Å; L6-W167 HydrophobicContact CD2-CH2 3.64Å; L6-W167 HydrophobicContact CD2-CZ3 3.96Å; L6-I175 HydrophobicContact CD1-CD1 4.29Å; L6-V181 HydrophobicContact CD1-CB 3.93Å; L6-V181 HydrophobicContact CD1-CG1 4.05Å; L6-I183 HydrophobicContact CD1-CD1 4.05Å; L6-I183 HydrophobicContact CD1-CG1 4.2Å; L6-L197 HydrophobicContact CD2-CD1 3.99Å; L6-Y218 PolarHBondContact N-O 3.07Å; L6-Y218 PolarHBondContact O-N 3.32Å; L6-L220 HydrophobicContact CB-CD1 4.26Å; L6-L220 HydrophobicContact CD2-CD1 4.28Å
7V98.7Very high94.3Very high1 Ų136.4 Ų36.41%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-118.2127.7173-178.40000109.9L45 Y50 F52 V181 L182 I183 P215 I216 L217V7-L45 HydrophobicContact CG1-CD1 4.47Å; V7-L45 HydrophobicContact CG1-CD2 4.04Å; V7-L45 HydrophobicContact CG2-CD2 4.36Å; V7-Y50 HydrophobicContact CG2-CD1 4Å; V7-Y50 HydrophobicContact CG2-CE1 4.03Å; V7-F52 HydrophobicContact CB-CE1 3.74Å; V7-F52 HydrophobicContact CB-CZ 3.99Å; V7-F52 HydrophobicContact CG1-CZ 4.32Å; V7-F52 HydrophobicContact CG2-CE1 3.55Å; V7-F52 HydrophobicContact CG2-CZ 3.81Å; V7-V181 PolarHBondContact N-O 3.24Å; V7-L182 HydrophobicContact CB-CD1 3.92Å; V7-L182 HydrophobicContact CG1-CD1 3.63Å; V7-L182 CarbonylContact O-C 3.57Å; V7-L182 WeakPolarHBondContact O-CA 3.07Å; V7-I183 PolarHBondContact O-N 3.48Å; V7-P215 HydrophobicContact CG1-CB 3.98Å; V7-I216 WeakPolarHBondContact CA-O 3.39Å; V7-L217 HydrophobicContact CB-CD2 4.4Å; V7-L217 HydrophobicContact CG1-CD2 4.14Å; V7-L217 HydrophobicContact CG2-CD2 3.56Å
8L98.7Very high94Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-111.2142.6171.6-48.3179.4000108.8L6 I183 L190 I193 V194 I216 Y218L6-L8 HydrophobicContact CD1-CD2 3.97Å; L6-L8 HydrophobicContact CD2-CD2 3.95Å; L6-L8 HydrophobicContact CD2-CG 4.39Å; L6-L8 HydrophobicContact CG-CD2 3.91Å; L6-L8 HydrophobicContact CG-CG 4.36Å; L8-I183 CarbonylContact C-O 3.53Å; L8-I183 WeakPolarHBondContact CA-O 2.96Å; L8-I183 HydrophobicContact CD2-CB 3.74Å; L8-I183 HydrophobicContact CD2-CD1 3.66Å; L8-I183 HydrophobicContact CD2-CG1 3.9Å; L8-L190 HydrophobicContact CB-CD1 4.43Å; L8-L190 HydrophobicContact CB-CD2 4.12Å; L8-L190 HydrophobicContact CD1-CD2 4.39Å; L8-L190 HydrophobicContact CD2-CD2 4.3Å; L8-I193 HydrophobicContact CD1-CG2 4.31Å; L8-V194 HydrophobicContact CD1-CG2 4.07Å; L8-I216 HydrophobicContact CB-CB 4.25Å; L8-I216 PolarHBondContact N-O 3.45Å; L8-I216 PolarHBondContact O-N 2.86Å; L8-Y218 HydrophobicContact CD1-CD2 4.17Å; L8-Y218 HydrophobicContact CD1-CE2 3.93Å; L8-Y218 HydrophobicContact CG-CD2 4.49Å
9I98.4Very high93.8Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-139.1122.9172.3-170.9170.2000109.8T66 V70 L182 I183 A184 A185 P215I9-T66 HydrophobicContact CD1-CG2 4.2Å; I9-T66 HydrophobicContact CG1-CG2 4.48Å; I9-V70 HydrophobicContact CD1-CG2 3.94Å; I9-L182 HydrophobicContact CG2-CD1 4.16Å; I9-I183 PolarHBondContact N-O 2.87Å; I9-A184 HydrophobicContact CG2-CB 3.68Å; I9-A184 CarbonylContact O-C 3.56Å; I9-A184 WeakPolarHBondContact O-CA 3.24Å; I9-A185 PolarHBondContact O-N 3.38Å; I9-P215 HydrophobicContact CD1-CG 4.31Å
10R98.3Very high93.6Very high19 Ų1943.6 Ų43.67%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-73.2135.4166.5178.8-175.5170.5-172.8-6.4107.4L190 L210 P211 T212 G213R10-L190 HydrophobicContact CB-CD1 4.06Å; R10-L210 WeakPolarHBondContact CD-O 3.34Å; R10-L210 PolarHBondContact NH1-O 3.42Å; R10-P211 WeakPolarHBondContact CB-O 3.48Å; R10-T212 HydrophobicContact CG-CG2 4.47Å; R10-T212 VanDerWaalsContact CZ-CG2 3.49Å; R10-G213 WeakPolarHBondContact O-CA 3.47Å; R10-G213 PolarHBondContact O-N 3.43Å
11H98.4Very high93.6Very high3 Ų345.8 Ų45.81%0.01423%0.23CC..PPolyproline II helixtrans-50.5153.6175.368.680.6000112.8R62 A63 T66 A185 H186 T212H11-R62 VanDerWaalsContact CE1-CD 3.48Å; H11-R62 WeakPolarHBondContact CE1-CD 3.32Å; H11-R62 PolarHBondContact NE2-NE 3.46Å; H11-A63 HydrophobicContact CB-CB 4.5Å; H11-T66 WeakPolarHBondContact CA-OG1 3.37Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.49Å; H11-A185 PolarHBondContact CD2-O 2.92Å; H11-A185 PolarHBondContact N-O 2.79Å; H11-H186 AromaticContact CD2-CE1 3.65Å; H11-H186 AromaticContact CD2-CG 3.78Å; H11-H186 AromaticContact CD2-ND1 3Å; H11-H186 PolarHBondContact CD2-ND1 3.27Å; H11-H186 AromaticContact NE2-CE1 3.89Å; H11-H186 AromaticContact NE2-CG 3.99Å; H11-H186 AromaticContact NE2-ND1 3.05Å; H11-H186 PolarHBondContact NE2-ND1 2.73Å; H11-T212 WeakPolarHBondContact O-CB 3.2Å; H11-T212 WeakPolarHBondContact O-CG2 3.11Å
12G97.2Very high94.7Very high0 Ų035.3 Ų35.30%018%0.179CC..PPolyproline II helixtrans-62.3167.9171.800000112.3S14 L30 E37 T66G12-S14 PolarHBondContact O-N 3.43Å; G12-L30 WeakPolarHBondContact O-CD2 3.34Å; G12-E37 WeakPolarHBondContact CA-OE2 3.45Å; G12-T66 PolarHBondContact N-OG1 3.03Å
13E96.4Very high95.2Very high39 Ų3933.3 Ų33.318%0.18216%0.162CC..PPolyproline II helixtrans-48.3128.1177.1-170.4-174.1-11800112.1N17 S31 G34 E37E13-N17 HydrophobicContact CG-CB 3.72Å; E13-S31 PolarHBondContact O-N 2.99Å; E13-S31 PolarHBondContact O-OG 3.29Å; E13-S31 PolarHBondContact OE2-OG 3.41Å; E13-G34 WeakPolarHBondContact O-CA 3.38Å; E13-E37 PolarHBondContact N-OE2 2.96Å
14S96.8Very high95.4Very high0 Ų031.2 Ų31.20%014%0.144CC..BIsolated β-bridgetrans-89160.417271.60000111.4G12 W16 N17 Q18 D29G12-S14 PolarHBondContact O-N 3.43Å; S14-W16 PolarHBondContact O-N 3.26Å; S14-W16 VanDerWaalsContact O-N 3.1Å; S14-N17 PolarHBondContact N-OD1 3.08Å; S14-N17 WeakPolarHBondContact O-CA 3.25Å; S14-N17 WeakPolarHBondContact O-CB 3.35Å; S14-N17 PolarHBondContact O-N 3.38Å; S14-N17 PolarHBondContact OG-N 3.31Å; S14-N17 PolarHBondContact OG-ND2 2.93Å; S14-N17 PolarHBondContact OG-OD1 3.12Å; S14-Q18 PolarHBondContact O-N 2.8Å; S14-D29 CarbonylContact C-O 3.58Å; S14-D29 WeakPolarHBondContact CA-O 3.27Å; S14-D29 VanDerWaalsContact CB-O 3.23Å; S14-D29 WeakPolarHBondContact CB-O 3.26Å
15C95.9Very high95.4Very high45 Ų4529.2 Ų29.230%0.30414%0.137SC..Hα-helixtrans-51.1-41174.1-55.20000112.3N17 Q18 E19 D29 L30C15-N17 VanDerWaalsContact C-N 3.33Å; C15-N17 PolarHBondContact O-N 3.36Å; C15-Q18 WeakPolarHBondContact O-CB 3.4Å; C15-Q18 PolarHBondContact O-N 3Å; C15-E19 WeakPolarHBondContact O-CG 3.31Å; C15-E19 PolarHBondContact O-N 2.93Å; C15-D29 PolarHBondContact N-O 3.09Å; C15-L30 PolarHBondContact SG-O 2.76Å
16W95.1Very high95.5Very high25 Ų2526.4 Ų26.410%0.09512%0.124CC..Hα-helixtrans-74.7-16.6177.1-79.623.4000115S14 N20 R21 F22 C23 F26 A28 T96 F132S14-W16 PolarHBondContact O-N 3.26Å; S14-W16 VanDerWaalsContact O-N 3.1Å; W16-N20 PolarHBondContact O-N 2.9Å; W16-R21 HydrophobicContact CB-CB 4.18Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 HydrophobicContact CE3-CB 4.01Å; W16-R21 HydrophobicContact CG-CB 4.27Å; W16-R21 PolarHBondContact O-N 3.41Å; W16-F22 WeakPolarHBondContact CZ3-O 3.27Å; W16-C23 HydrophobicContact CB-CB 4.12Å; W16-C23 HydrophobicContact CE3-CB 4.09Å; W16-F26 AromaticContact CD2-CD1 3.69Å; W16-F26 HydrophobicContact CD2-CD1 3.69Å; W16-F26 HydrophobicContact CD2-CE1 4Å; W16-F26 AromaticContact CE2-CD1 3.43Å; W16-F26 VanDerWaalsContact CE2-CD1 3.43Å; W16-F26 AromaticContact CE2-CE1 3.33Å; W16-F26 HydrophobicContact CE3-CB 4.35Å; W16-F26 AromaticContact CE3-CD1 3.84Å; W16-F26 HydrophobicContact CE3-CD1 3.84Å; W16-F26 HydrophobicContact CE3-CG 4.31Å; W16-F26 HydrophobicContact CG-CD1 4.48Å; W16-F26 HydrophobicContact CH2-CB 3.8Å; W16-F26 AromaticContact CH2-CD1 3.39Å; W16-F26 HydrophobicContact CH2-CD1 3.39Å; W16-F26 AromaticContact CH2-CD2 3.75Å; W16-F26 HydrophobicContact CH2-CD2 3.75Å; W16-F26 AromaticContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE2 4.17Å; W16-F26 AromaticContact CH2-CG 3.33Å; W16-F26 HydrophobicContact CH2-CG 3.33Å; W16-F26 HydrophobicContact CH2-CZ 4.21Å; W16-F26 AromaticContact CZ2-CD1 3.31Å; W16-F26 HydrophobicContact CZ2-CD1 3.31Å; W16-F26 HydrophobicContact CZ2-CD2 4.02Å; W16-F26 AromaticContact CZ2-CE1 3.26Å; W16-F26 HydrophobicContact CZ2-CE1 3.26Å; W16-F26 AromaticContact CZ2-CE2 3.97Å; W16-F26 HydrophobicContact CZ2-CE2 3.97Å; W16-F26 AromaticContact CZ2-CG 3.7Å; W16-F26 HydrophobicContact CZ2-CG 3.7Å; W16-F26 AromaticContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ3-CB 3.66Å; W16-F26 AromaticContact CZ3-CD1 3.66Å; W16-F26 HydrophobicContact CZ3-CD1 3.66Å; W16-F26 HydrophobicContact CZ3-CD2 4.49Å; W16-F26 HydrophobicContact CZ3-CE1 4.46Å; W16-F26 AromaticContact CZ3-CG 3.68Å; W16-F26 HydrophobicContact CZ3-CG 3.68Å; W16-F26 AromaticContact NE1-CE1 3.66Å; W16-A28 HydrophobicContact CB-CB 4.29Å; W16-A28 HydrophobicContact CG-CB 4.16Å; W16-T96 HydrophobicContact CZ3-CG2 4.1Å; W16-F132 HydrophobicContact CH2-CD1 4.21Å; W16-F132 HydrophobicContact CH2-CD2 4.38Å; W16-F132 AromaticContact CH2-CE1 3.74Å; W16-F132 HydrophobicContact CH2-CE1 3.74Å; W16-F132 AromaticContact CH2-CE2 3.93Å; W16-F132 HydrophobicContact CH2-CE2 3.93Å; W16-F132 AromaticContact CH2-CZ 3.58Å; W16-F132 HydrophobicContact CH2-CZ 3.58Å; W16-F132 AromaticContact CZ2-CE1 3.81Å; W16-F132 HydrophobicContact CZ2-CE1 3.81Å; W16-F132 HydrophobicContact CZ2-CE2 4.5Å; W16-F132 AromaticContact CZ2-CZ 3.74Å; W16-F132 HydrophobicContact CZ2-CZ 3.74Å
17N88.8Confident95.5Very high21 Ų2127.7 Ų27.711%0.11213%0.131CC..Hα-helixtrans-74-43.4170.3-64.8157.3000109.5E13 S14 C15 E19 N20E13-N17 HydrophobicContact CG-CB 3.72Å; S14-N17 PolarHBondContact N-OD1 3.08Å; S14-N17 WeakPolarHBondContact O-CA 3.25Å; S14-N17 WeakPolarHBondContact O-CB 3.35Å; S14-N17 PolarHBondContact O-N 3.38Å; S14-N17 PolarHBondContact OG-N 3.31Å; S14-N17 PolarHBondContact OG-ND2 2.93Å; S14-N17 PolarHBondContact OG-OD1 3.12Å; C15-N17 VanDerWaalsContact C-N 3.33Å; C15-N17 PolarHBondContact O-N 3.36Å; N17-E19 VanDerWaalsContact C-N 3.3Å; N17-E19 PolarHBondContact O-N 2.76Å; N17-N20 WeakPolarHBondContact O-CA 3.44Å; N17-N20 PolarHBondContact O-N 2.83Å
18Q89.2Confident95.5Very high126 Ų12627.9 Ų27.959%0.58913%0.133SC*.Hα-helixtrans-59.5-40.9174.6-167.9-179.9-1.800111.8S14 C15 N20S14-Q18 PolarHBondContact O-N 2.8Å; C15-Q18 WeakPolarHBondContact O-CB 3.4Å; C15-Q18 PolarHBondContact O-N 3Å; Q18-N20 PolarHBondContact O-N 3.04Å
19E91.5Very high95.5Very high88 Ų8830.5 Ų30.541%0.41115%0.147SC..THydrogen-bonded Turntrans-77.31.8174.1-65.9176.4-135.900114.3C15 N17 R21 N99C15-E19 WeakPolarHBondContact O-CG 3.31Å; C15-E19 PolarHBondContact O-N 2.93Å; N17-E19 VanDerWaalsContact C-N 3.3Å; N17-E19 PolarHBondContact O-N 2.76Å; E19-R21 VanDerWaalsContact C-N 3.27Å; E19-R21 HydrophobicContact CB-CG 4.1Å; E19-R21 PolarHBondContact O-N 2.84Å; E19-R21 IonicContact OE2-CZ 3.5Å; E19-R21 IonicContact OE2-NE 3.93Å; E19-R21 PolarHBondContact OE2-NE 3.24Å; E19-R21 IonicContact OE2-NH2 3.35Å; E19-N99 PolarHBondContact O-ND2 3.46Å
20N89.4Confident95.5Very high39 Ų3930.9 Ų30.921%0.20915%0.149CC..THydrogen-bonded Turntrans56.334-177.7-165.744.3000114.3W16 N17 Q18 N99 K100 A101W16-N20 PolarHBondContact O-N 2.9Å; N17-N20 WeakPolarHBondContact O-CA 3.44Å; N17-N20 PolarHBondContact O-N 2.83Å; Q18-N20 PolarHBondContact O-N 3.04Å; N20-N99 PolarHBondContact ND2-OD1 2.95Å; N20-K100 WeakPolarHBondContact O-CG 3.33Å; N20-K100 PolarHBondContact O-N 3.46Å; N20-A101 PolarHBondContact ND2-N 2.84Å
21R94Very high95.5Very high90 Ų9030.2 Ų30.234%0.3415%0.147SC..BIsolated β-bridgetrans-93.8154.8177.3-63.9179.3-173.7-95.10.4112.8W16 E19 C23 G97 L98 K100W16-R21 HydrophobicContact CB-CB 4.18Å; W16-R21 HydrophobicContact CD2-CB 4.19Å; W16-R21 HydrophobicContact CE3-CB 4.01Å; W16-R21 HydrophobicContact CG-CB 4.27Å; W16-R21 PolarHBondContact O-N 3.41Å; E19-R21 VanDerWaalsContact C-N 3.27Å; E19-R21 HydrophobicContact CB-CG 4.1Å; E19-R21 PolarHBondContact O-N 2.84Å; E19-R21 IonicContact OE2-CZ 3.5Å; E19-R21 IonicContact OE2-NE 3.93Å; E19-R21 PolarHBondContact OE2-NE 3.24Å; E19-R21 IonicContact OE2-NH2 3.35Å; R21-C23 PolarHBondContact O-N 3.21Å; R21-G97 WeakPolarHBondContact CD-O 3.39Å; R21-G97 PolarHBondContact NH1-O 2.74Å; R21-L98 CarbonylContact C-O 3.52Å; R21-L98 VanDerWaalsContact CA-O 3.24Å; R21-L98 WeakPolarHBondContact CA-O 3.19Å; R21-K100 WeakPolarHBondContact O-CE 3.48Å
22F93.5Very high95.4Very high0 Ų038.1 Ų38.10%018%0.184CC..  trans-73.6109.1166.4-71.6-85000109.9W16 Y92 L95 G97 L98 K100 T103 V112 R116W16-F22 WeakPolarHBondContact CZ3-O 3.27Å; F22-Y92 HydrophobicContact CB-CD2 4.25Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD2 4.14Å; F22-Y92 AromaticContact CD1-CE1 3.94Å; F22-Y92 HydrophobicContact CD1-CE1 3.94Å; F22-Y92 HydrophobicContact CD1-CE2 4.37Å; F22-Y92 AromaticContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CE1-CD1 4.18Å; F22-Y92 HydrophobicContact CE1-CE1 4.21Å; F22-Y92 HydrophobicContact CG-CG 4.49Å; F22-L95 HydrophobicContact CB-CB 4.44Å; F22-L95 VanDerWaalsContact CB-O 3.31Å; F22-L95 WeakPolarHBondContact CB-O 3.43Å; F22-L95 HydrophobicContact CD2-CB 4.12Å; F22-L95 HydrophobicContact CE1-CD1 4.35Å; F22-L95 HydrophobicContact CE2-CB 4.47Å; F22-L95 HydrophobicContact CG-CB 4.16Å; F22-L95 HydrophobicContact CZ-CD1 4.25Å; F22-G97 PolarHBondContact O-N 3.42Å; F22-L98 HydrophobicContact CD2-CB 4.41Å; F22-L98 WeakPolarHBondContact CD2-O 3.49Å; F22-L98 PolarHBondContact N-O 3.33Å; F22-K100 HydrophobicContact CD1-CG 4.33Å; F22-K100 HydrophobicContact CD2-CG 3.75Å; F22-K100 HydrophobicContact CE1-CG 4.16Å; F22-K100 HydrophobicContact CE2-CB 4.16Å; F22-K100 HydrophobicContact CE2-CG 3.55Å; F22-K100 HydrophobicContact CG-CG 4.15Å; F22-K100 HydrophobicContact CZ-CB 4.47Å; F22-K100 HydrophobicContact CZ-CG 3.77Å; F22-T103 HydrophobicContact CE2-CG2 4.33Å; F22-V112 HydrophobicContact CZ-CG1 4.19Å; F22-R116 HydrophobicContact CE1-CG 3.62Å; F22-R116 HydrophobicContact CZ-CG 4.01Å
23C95.1Very high95.4Very high7 Ų741.4 Ų41.45%0.04720%0.204CC..  trans-84-59.7-177.4-173.30000113.1W16 R21 W25 F26 R62W16-C23 HydrophobicContact CB-CB 4.12Å; W16-C23 HydrophobicContact CE3-CB 4.09Å; R21-C23 PolarHBondContact O-N 3.21Å; C23-W25 PolarHBondContact O-N 2.88Å; C23-F26 WeakPolarHBondContact O-CB 3.49Å; C23-F26 PolarHBondContact O-N 3.34Å; C23-F26 VanDerWaalsContact O-N 3.1Å; C23-F26 PolarHBondContact SG-O 2.85Å; C23-F26 VanDerWaalsContact SG-O 3.38Å; C23-R62 VanDerWaalsContact SG-CZ 3.56Å
24G96.2Very high95.5Very high1 Ų139.6 Ų39.61%0.0120%0.196CC..THydrogen-bonded Turntrans58.1-125.317800000111.2R62 R90 Y92G24-R62 PolarHBondContact O-NH2 3.21Å; G24-R90 VanDerWaalsContact CA-O 3.3Å; G24-R90 WeakPolarHBondContact CA-O 3.42Å; G24-Y92 VanDerWaalsContact CA-CD2 3.49Å
25W98.3Very high95.5Very high3 Ų342 Ų421%0.01121%0.207CC..THydrogen-bonded Turntrans-87.6-3.2-178.5-75.736.4000114.3C23 D27 L60 W85 N88 E89 H91 I136 Y142 L150 P151C23-W25 PolarHBondContact O-N 2.88Å; W25-D27 PolarHBondContact O-N 3.27Å; W25-L60 WeakPolarHBondContact O-CD2 3.45Å; W25-W85 AromaticContact CH2-CE3 3.69Å; W25-W85 HydrophobicContact CH2-CE3 3.69Å; W25-W85 HydrophobicContact CH2-CZ3 4.24Å; W25-W85 AromaticContact CZ2-CE3 3.95Å; W25-W85 HydrophobicContact CZ2-CE3 3.95Å; W25-W85 HydrophobicContact CZ2-CZ3 4.38Å; W25-N88 HydrophobicContact CZ2-CB 4.24Å; W25-E89 PolarHBondContact NE1-O 3.46Å; W25-H91 AromaticContact CD1-CD2 3.74Å; W25-H91 AromaticContact CD2-CD2 3.41Å; W25-H91 VanDerWaalsContact CD2-CD2 3.41Å; W25-H91 AromaticContact CE2-CD2 3.84Å; W25-H91 AromaticContact CE3-CD2 3.85Å; W25-H91 HydrophobicContact CG-CB 4.31Å; W25-H91 AromaticContact CG-CD2 3.34Å; W25-H91 AromaticContact NE1-CD2 4Å; W25-I136 HydrophobicContact CB-CG2 3.64Å; W25-I136 HydrophobicContact CE3-CG2 4.32Å; W25-Y142 AromaticContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE2 4.01Å; W25-Y142 AromaticContact CE3-CZ 3.54Å; W25-Y142 HydrophobicContact CH2-CE1 4.34Å; W25-Y142 AromaticContact CZ3-CD1 3.92Å; W25-Y142 HydrophobicContact CZ3-CD1 3.92Å; W25-Y142 AromaticContact CZ3-CE1 3.53Å; W25-Y142 HydrophobicContact CZ3-CE1 3.53Å; W25-Y142 HydrophobicContact CZ3-CE2 4.26Å; W25-Y142 HydrophobicContact CZ3-CG 4.44Å; W25-Y142 AromaticContact CZ3-CZ 3.71Å; W25-L150 HydrophobicContact CE3-CD1 4.29Å; W25-L150 HydrophobicContact CH2-CD1 4.15Å; W25-L150 HydrophobicContact CZ3-CD1 3.46Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.46Å; W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.74Å
26F98.1Very high95.6Very high46 Ų4645 Ų4520%0.20222%0.217CC..SBendtrans-59.6133.1168.8-179.5-101.2000109.8W16 C23 A28 R62 T96 F132 I136W16-F26 AromaticContact CD2-CD1 3.69Å; W16-F26 HydrophobicContact CD2-CD1 3.69Å; W16-F26 HydrophobicContact CD2-CE1 4Å; W16-F26 AromaticContact CE2-CD1 3.43Å; W16-F26 VanDerWaalsContact CE2-CD1 3.43Å; W16-F26 AromaticContact CE2-CE1 3.33Å; W16-F26 HydrophobicContact CE3-CB 4.35Å; W16-F26 AromaticContact CE3-CD1 3.84Å; W16-F26 HydrophobicContact CE3-CD1 3.84Å; W16-F26 HydrophobicContact CE3-CG 4.31Å; W16-F26 HydrophobicContact CG-CD1 4.48Å; W16-F26 HydrophobicContact CH2-CB 3.8Å; W16-F26 AromaticContact CH2-CD1 3.39Å; W16-F26 HydrophobicContact CH2-CD1 3.39Å; W16-F26 AromaticContact CH2-CD2 3.75Å; W16-F26 HydrophobicContact CH2-CD2 3.75Å; W16-F26 AromaticContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE1 3.85Å; W16-F26 HydrophobicContact CH2-CE2 4.17Å; W16-F26 AromaticContact CH2-CG 3.33Å; W16-F26 HydrophobicContact CH2-CG 3.33Å; W16-F26 HydrophobicContact CH2-CZ 4.21Å; W16-F26 AromaticContact CZ2-CD1 3.31Å; W16-F26 HydrophobicContact CZ2-CD1 3.31Å; W16-F26 HydrophobicContact CZ2-CD2 4.02Å; W16-F26 AromaticContact CZ2-CE1 3.26Å; W16-F26 HydrophobicContact CZ2-CE1 3.26Å; W16-F26 AromaticContact CZ2-CE2 3.97Å; W16-F26 HydrophobicContact CZ2-CE2 3.97Å; W16-F26 AromaticContact CZ2-CG 3.7Å; W16-F26 HydrophobicContact CZ2-CG 3.7Å; W16-F26 AromaticContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ2-CZ 3.61Å; W16-F26 HydrophobicContact CZ3-CB 3.66Å; W16-F26 AromaticContact CZ3-CD1 3.66Å; W16-F26 HydrophobicContact CZ3-CD1 3.66Å; W16-F26 HydrophobicContact CZ3-CD2 4.49Å; W16-F26 HydrophobicContact CZ3-CE1 4.46Å; W16-F26 AromaticContact CZ3-CG 3.68Å; W16-F26 HydrophobicContact CZ3-CG 3.68Å; W16-F26 AromaticContact NE1-CE1 3.66Å; C23-F26 WeakPolarHBondContact O-CB 3.49Å; C23-F26 PolarHBondContact O-N 3.34Å; C23-F26 VanDerWaalsContact O-N 3.1Å; C23-F26 PolarHBondContact SG-O 2.85Å; C23-F26 VanDerWaalsContact SG-O 3.38Å; F26-A28 HydrophobicContact CD1-CB 3.77Å; F26-A28 HydrophobicContact CE1-CB 3.91Å; F26-A28 PolarHBondContact O-N 3.07Å; F26-R62 PolarHBondContact O-NH1 3.09Å; F26-T96 HydrophobicContact CB-CG2 4.07Å; F26-F132 AromaticContact CD2-CD1 3.64Å; F26-F132 HydrophobicContact CD2-CD1 3.64Å; F26-F132 HydrophobicContact CD2-CE1 4.02Å; F26-F132 HydrophobicContact CD2-CG 4.4Å; F26-F132 AromaticContact CE2-CD1 3.7Å; F26-F132 HydrophobicContact CE2-CD1 3.7Å; F26-F132 AromaticContact CE2-CE1 3.76Å; F26-F132 HydrophobicContact CE2-CE1 3.76Å; F26-F132 HydrophobicContact CZ-CE1 4.44Å; F26-I136 HydrophobicContact CB-CD1 4.09Å
27D98.2Very high95.7Very high29 Ų2944.9 Ų44.916%0.15522%0.217CC..  trans-84.752-172.2-160.223000112.3W25 L60 K61 R141W25-D27 PolarHBondContact O-N 3.27Å; D27-L60 HydrophobicContact CB-CD2 4.42Å; D27-L60 WeakPolarHBondContact OD1-CA 3.39Å; D27-K61 WeakPolarHBondContact O-CD 3.44Å; D27-K61 WeakPolarHBondContact O-CE 3.33Å; D27-K61 PolarHBondContact O-NZ 3.39Å; D27-K61 WeakPolarHBondContact OD1-CG 3.46Å; D27-K61 PolarHBondContact OD1-N 3.08Å; D27-K61 WeakPolarHBondContact OD2-CE 3.33Å; D27-K61 IonicContact OD2-NZ 2.72Å; D27-R141 IonicContact OD1-NH1 3.34Å; D27-R141 IonicContact OD2-CZ 3.61Å; D27-R141 VanDerWaalsContact OD2-CZ 3.3Å; D27-R141 IonicContact OD2-NH1 3.47Å; D27-R141 PolarHBondContact OD2-NH1 3.21Å; D27-R141 IonicContact OD2-NH2 2.85Å; D27-R141 PolarHBondContact OD2-NH2 2.75Å
28A97.6Very high96.2Very high5 Ų543.9 Ų43.94%0.04121%0.212CC..PPolyproline II helixtrans-61.3141.5174.900000110.9W16 F26 R62W16-A28 HydrophobicContact CB-CB 4.29Å; W16-A28 HydrophobicContact CG-CB 4.16Å; F26-A28 HydrophobicContact CD1-CB 3.77Å; F26-A28 HydrophobicContact CE1-CB 3.91Å; F26-A28 PolarHBondContact O-N 3.07Å; A28-R62 WeakPolarHBondContact O-CB 3.34Å
29D98.3Very high96.6Very high54 Ų5442.3 Ų42.329%0.28920%0.203SC..PPolyproline II helixtrans-81.1170.5174.6-139.9-31.6000112.2S14 C15 K61 R65S14-D29 CarbonylContact C-O 3.58Å; S14-D29 WeakPolarHBondContact CA-O 3.27Å; S14-D29 VanDerWaalsContact CB-O 3.23Å; S14-D29 WeakPolarHBondContact CB-O 3.26Å; C15-D29 PolarHBondContact N-O 3.09Å; D29-K61 HydrophobicContact CB-CD 3.88Å; D29-K61 HydrophobicContact CB-CG 4.48Å; D29-R65 WeakPolarHBondContact OD1-CD 3.46Å; D29-R65 IonicContact OD1-NE 2.78Å; D29-R65 PolarHBondContact OD1-NE 3.47Å
30L98.5Very high96.9Very high9 Ų942.8 Ų42.85%0.04720%0.201CC..BIsolated β-bridgetrans-65.9144.2168.3-66.4175.7000110.4G12 C15 E35 R62 R65 L69G12-L30 WeakPolarHBondContact O-CD2 3.34Å; C15-L30 PolarHBondContact SG-O 2.76Å; L30-E35 HydrophobicContact CB-CG 3.94Å; L30-E35 HydrophobicContact CD1-CG 4.19Å; L30-R62 HydrophobicContact CD2-CB 3.9Å; L30-R62 HydrophobicContact CG-CB 4.21Å; L30-R65 HydrophobicContact CD1-CB 3.82Å; L30-R65 HydrophobicContact CG-CB 4.49Å; L30-L69 HydrophobicContact CD1-CD1 4.15Å
31S98Very high97.3Very high4 Ų441 Ų413%0.02819%0.192CC..PPolyproline II helixtrans-74.5166.8162.467.70000109.6E13 T33 G34 E35E13-S31 PolarHBondContact O-N 2.99Å; E13-S31 PolarHBondContact O-OG 3.29Å; E13-S31 PolarHBondContact OE2-OG 3.41Å; S31-T33 PolarHBondContact O-N 2.85Å; S31-T33 PolarHBondContact OG-N 3.47Å; S31-G34 WeakPolarHBondContact O-CA 3.41Å; S31-G34 PolarHBondContact O-N 3.34Å; S31-G34 PolarHBondContact OG-N 2.89Å; S31-G34 VanDerWaalsContact OG-N 3.09Å; S31-E35 PolarHBondContact O-N 3.5Å
32E97.8Very high97.5Very high169 Ų16936.8 Ų36.879%0.7918%0.176SC*.Hα-helixtrans-54.5-41.3171.3-67.9-179.4-17700111.2G34 E35 Q36E32-G34 PolarHBondContact O-N 3.35Å; E32-E35 PolarHBondContact O-N 2.93Å; E32-Q36 WeakPolarHBondContact O-CG 3.46Å; E32-Q36 PolarHBondContact O-N 2.89Å
33T96.6Very high97.7Very high70 Ų7040.9 Ų40.943%0.42920%0.195SC..Hα-helixtrans-57-49.6172.4-53.40000111S31 E35 Q36 E37S31-T33 PolarHBondContact O-N 2.85Å; S31-T33 PolarHBondContact OG-N 3.47Å; T33-E35 VanDerWaalsContact C-N 3.29Å; T33-E35 PolarHBondContact O-N 2.93Å; T33-Q36 WeakPolarHBondContact O-CB 3.4Å; T33-Q36 PolarHBondContact O-N 3.04Å; T33-Q36 VanDerWaalsContact O-N 3.08Å; T33-E37 HydrophobicContact CG2-CG 4.4Å; T33-E37 WeakPolarHBondContact O-CG 3.04Å; T33-E37 PolarHBondContact O-N 3.29Å
34G97.7Very high97.8Very high0 Ų041.3 Ų41.30%020%0.2CC..Hα-helixtrans-61.5-33.8-18000000114.1E13 S31 E32 E37 A38E13-G34 WeakPolarHBondContact O-CA 3.38Å; S31-G34 WeakPolarHBondContact O-CA 3.41Å; S31-G34 PolarHBondContact O-N 3.34Å; S31-G34 PolarHBondContact OG-N 2.89Å; S31-G34 VanDerWaalsContact OG-N 3.09Å; E32-G34 PolarHBondContact O-N 3.35Å; G34-E37 PolarHBondContact O-N 2.94Å; G34-A38 PolarHBondContact O-N 3.28Å
35E98.5Very high97.9Very high50 Ų5041.3 Ų41.323%0.23420%0.199CC..Hα-helixtrans-65.9-41.7172.4-64.7-166.5166.200112L30 S31 E32 T33 A38 K39 R65 L69L30-E35 HydrophobicContact CB-CG 3.94Å; L30-E35 HydrophobicContact CD1-CG 4.19Å; S31-E35 PolarHBondContact O-N 3.5Å; E32-E35 PolarHBondContact O-N 2.93Å; T33-E35 VanDerWaalsContact C-N 3.29Å; T33-E35 PolarHBondContact O-N 2.93Å; E35-A38 PolarHBondContact O-N 3.22Å; E35-K39 WeakPolarHBondContact O-CG 3.37Å; E35-K39 PolarHBondContact O-N 3.17Å; E35-R65 IonicContact OE1-CZ 3.84Å; E35-R65 IonicContact OE1-NE 3.85Å; E35-R65 IonicContact OE1-NH2 2.78Å; E35-R65 PolarHBondContact OE1-NH2 2.88Å; E35-L69 HydrophobicContact CB-CD1 4.05Å; E35-L69 HydrophobicContact CG-CD1 4.2Å
36Q97.9Very high97.9Very high110 Ų11046.3 Ų46.351%0.51422%0.221SC..Hα-helixtrans-66.8-37.8175.7-61-57-31.800112E32 T33 K39 R40E32-Q36 WeakPolarHBondContact O-CG 3.46Å; E32-Q36 PolarHBondContact O-N 2.89Å; T33-Q36 WeakPolarHBondContact O-CB 3.4Å; T33-Q36 PolarHBondContact O-N 3.04Å; T33-Q36 VanDerWaalsContact O-N 3.08Å; Q36-K39 PolarHBondContact O-N 2.92Å; Q36-R40 WeakPolarHBondContact O-CB 3.45Å; Q36-R40 PolarHBondContact O-N 3.07Å
37E97.5Very high97.8Very high22 Ų2249.8 Ų49.810%0.10324%0.242CC..Hα-helixtrans-60.4-46.6173.7-68-177.6145.100111.4G12 E13 T33 G34 R40 G41 T212G12-E37 WeakPolarHBondContact CA-OE2 3.45Å; E13-E37 PolarHBondContact N-OE2 2.96Å; T33-E37 HydrophobicContact CG2-CG 4.4Å; T33-E37 WeakPolarHBondContact O-CG 3.04Å; T33-E37 PolarHBondContact O-N 3.29Å; G34-E37 PolarHBondContact O-N 2.94Å; E37-R40 PolarHBondContact O-N 2.85Å; E37-G41 PolarHBondContact O-N 3.05Å; E37-T212 PolarHBondContact OE1-OG1 3Å; E37-T212 WeakPolarHBondContact OE2-CB 3.43Å; E37-T212 PolarHBondContact OE2-OG1 2.96Å
38A98.3Very high97.7Very high0 Ų050.8 Ų50.80%025%0.254CS..Hα-helixtrans-63-43.4177.900000112.4G34 E35 R40 G41 G42 T66 L69G34-A38 PolarHBondContact O-N 3.28Å; E35-A38 PolarHBondContact O-N 3.22Å; A38-R40 PolarHBondContact O-N 2.89Å; A38-G41 PolarHBondContact O-N 3.04Å; A38-G42 PolarHBondContact O-N 3.25Å; A38-T66 HydrophobicContact CB-CG2 3.78Å; A38-L69 HydrophobicContact CB-CB 3.95Å; A38-L69 HydrophobicContact CB-CD1 3.79Å
39K98.4Very high97.6Very high92 Ų9253.5 Ų53.540%0.428%0.283SS..Hα-helixtrans-60.8-43174.8-73174.1-177.51750111.9E35 Q36 G42 Q43 L69E35-K39 WeakPolarHBondContact O-CG 3.37Å; E35-K39 PolarHBondContact O-N 3.17Å; Q36-K39 PolarHBondContact O-N 2.92Å; K39-G42 PolarHBondContact O-N 3.16Å; K39-Q43 PolarHBondContact O-N 2.72Å; K39-L69 HydrophobicContact CG-CB 4.41Å; K39-L69 HydrophobicContact CG-CD2 4.22Å
40R97.6Very high97.6Very high98 Ų9853 Ų5337%0.3728%0.277SS..Hα-helixtrans-63.5-41.2176.4-175.1175.361.2-117.71.3111.7Q36 E37 A38 G42 Q43 A44Q36-R40 WeakPolarHBondContact O-CB 3.45Å; Q36-R40 PolarHBondContact O-N 3.07Å; E37-R40 PolarHBondContact O-N 2.85Å; A38-R40 PolarHBondContact O-N 2.89Å; R40-G42 VanDerWaalsContact C-N 3.34Å; R40-Q43 PolarHBondContact O-N 3.47Å; R40-A44 WeakPolarHBondContact O-CB 3.18Å; R40-A44 PolarHBondContact O-N 2.92Å
41G97.7Very high97.6Very high3 Ų357.7 Ų57.73%0.03130%0.299CS..Hα-helixtrans-60.9-41.8173.400000112.6E37 A38 A44 L45 G213 P215E37-G41 PolarHBondContact O-N 3.05Å; A38-G41 PolarHBondContact O-N 3.04Å; G41-A44 PolarHBondContact O-N 2.99Å; G41-L45 WeakPolarHBondContact O-CG 3.39Å; G41-L45 PolarHBondContact O-N 3.2Å; G41-L45 VanDerWaalsContact O-N 3.11Å; G41-G213 WeakPolarHBondContact CA-O 3.36Å; G41-P215 WeakPolarHBondContact O-CG 3.45Å
42G97.8Very high97.6Very high0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-61.4-45.6172.500000112.8A38 K39 R40 A44 L45 K46 I74A38-G42 PolarHBondContact O-N 3.25Å; K39-G42 PolarHBondContact O-N 3.16Å; R40-G42 VanDerWaalsContact C-N 3.34Å; G42-A44 PolarHBondContact O-N 3.46Å; G42-L45 PolarHBondContact O-N 2.83Å; G42-K46 PolarHBondContact O-N 2.96Å; G42-I74 VanDerWaalsContact O-CG2 3.23Å; G42-I74 WeakPolarHBondContact O-CG2 3.15Å
43Q97.6Very high97.7Very high86 Ų8652.1 Ų52.140%0.40227%0.274SS..Hα-helixtrans-60.9-43.8176.4-172.461.850.800111.7K39 R40 L45 K46 D47K39-Q43 PolarHBondContact O-N 2.72Å; R40-Q43 PolarHBondContact O-N 3.47Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.27Å; Q43-K46 WeakPolarHBondContact O-CB 3.08Å; Q43-K46 PolarHBondContact O-N 2.89Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; Q43-D47 PolarHBondContact NE2-OD1 3.02Å; Q43-D47 PolarHBondContact NE2-OD2 3.38Å; Q43-D47 VanDerWaalsContact O-CG 3.22Å; Q43-D47 PolarHBondContact O-N 2.86Å
44A97.3Very high97.8Very high17 Ų1749 Ų4914%0.1426%0.255CS..Hα-helixtrans-61.1-40.5178.200000112R40 G41 G42 A48 L233R40-A44 WeakPolarHBondContact O-CB 3.18Å; R40-A44 PolarHBondContact O-N 2.92Å; G41-A44 PolarHBondContact O-N 2.99Å; G42-A44 PolarHBondContact O-N 3.46Å; A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.59Å; A44-A48 VanDerWaalsContact O-N 3.13Å; A44-L233 HydrophobicContact CB-CD2 4.24Å; A44-L233 HydrophobicContact CB-CG 4.04Å; A44-L233 WeakPolarHBondContact O-CD2 3.43Å
45L98.1Very high97.8Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-64.6-41.9174-73.2168.1000112.2V7 G41 G42 Q43 A48 G49 Y50 F52 V70 I74 P215 L217 L233V7-L45 HydrophobicContact CG1-CD1 4.47Å; V7-L45 HydrophobicContact CG1-CD2 4.04Å; V7-L45 HydrophobicContact CG2-CD2 4.36Å; G41-L45 WeakPolarHBondContact O-CG 3.39Å; G41-L45 PolarHBondContact O-N 3.2Å; G41-L45 VanDerWaalsContact O-N 3.11Å; G42-L45 PolarHBondContact O-N 2.83Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.27Å; L45-A48 PolarHBondContact O-N 2.92Å; L45-G49 PolarHBondContact O-N 2.95Å; L45-Y50 HydrophobicContact CD2-CD1 4.48Å; L45-Y50 HydrophobicContact CD2-CD2 4.04Å; L45-Y50 HydrophobicContact CD2-CG 3.89Å; L45-Y50 PolarHBondContact O-N 3.31Å; L45-F52 HydrophobicContact CD1-CE2 4.17Å; L45-F52 HydrophobicContact CD1-CZ 4.15Å; L45-F52 HydrophobicContact CD2-CZ 4.03Å; L45-V70 HydrophobicContact CD1-CG1 3.76Å; L45-I74 HydrophobicContact CB-CG2 3.93Å; L45-P215 HydrophobicContact CD1-CB 4.25Å; L45-P215 HydrophobicContact CD1-CG 3.98Å; L45-P215 HydrophobicContact CD2-CB 3.97Å; L45-P215 HydrophobicContact CD2-CG 4.24Å; L45-P215 HydrophobicContact CG-CB 4.06Å; L45-P215 HydrophobicContact CG-CG 3.78Å; L45-L217 HydrophobicContact CD2-CD2 4.36Å; L45-L233 HydrophobicContact CD2-CD2 3.71Å; L45-L233 HydrophobicContact CG-CD2 4.17Å
46K97.6Very high97.8Very high108 Ų10846.7 Ų46.747%0.4724%0.244SC..Hα-helixtrans-60.5-49.6176.2-169.6-175.6-160.2147.40111.6G42 Q43 A48 G49 G73 I74G42-K46 PolarHBondContact O-N 2.96Å; Q43-K46 WeakPolarHBondContact O-CB 3.08Å; Q43-K46 PolarHBondContact O-N 2.89Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; K46-A48 PolarHBondContact O-N 3.07Å; K46-G49 PolarHBondContact O-N 3.16Å; K46-G73 WeakPolarHBondContact CD-O 3.1Å; K46-G73 PolarHBondContact NZ-O 3.44Å; K46-I74 HydrophobicContact CB-CG2 4.14Å
47D96.6Very high97.9Very high120 Ų12041.4 Ų41.464%0.64222%0.219SC*.Hα-helixtrans-63.3-32.7-178-67.2-19.9000111.7Q43 G49Q43-D47 PolarHBondContact NE2-OD1 3.02Å; Q43-D47 PolarHBondContact NE2-OD2 3.38Å; Q43-D47 VanDerWaalsContact O-CG 3.22Å; Q43-D47 PolarHBondContact O-N 2.86Å; D47-G49 VanDerWaalsContact C-N 3.29Å
48A96.3Very high98Very high50 Ų5040.4 Ų40.441%0.41321%0.214SC..THydrogen-bonded Turntrans-84.12.7174.500000114.1A44 L45 K46 Y50 L233A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.59Å; A44-A48 VanDerWaalsContact O-N 3.13Å; L45-A48 PolarHBondContact O-N 2.92Å; K46-A48 PolarHBondContact O-N 3.07Å; A48-Y50 HydrophobicContact CB-CD2 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.8Å; A48-Y50 PolarHBondContact O-N 3.4Å; A48-L233 HydrophobicContact CB-CD1 4.05Å; A48-L233 HydrophobicContact CB-CD2 3.94Å
49G96.7Very high98Very high62 Ų6241.6 Ų41.664%0.63922%0.222SC*.THydrogen-bonded Turntrans67.732.2176.300000114.2L45 K46 D47L45-G49 PolarHBondContact O-N 2.95Å; K46-G49 PolarHBondContact O-N 3.16Å; D47-G49 VanDerWaalsContact C-N 3.29Å
50Y97.4Very high98Very high42 Ų4237.2 Ų37.217%0.16520%0.203CC..  trans-78.4133.6177.1-83.2-94.4000112.1K5 V7 L45 A48 F52 Q76 L217 L233K5-Y50 HydrophobicContact CD-CE1 4.27Å; V7-Y50 HydrophobicContact CG2-CD1 4Å; V7-Y50 HydrophobicContact CG2-CE1 4.03Å; L45-Y50 HydrophobicContact CD2-CD1 4.48Å; L45-Y50 HydrophobicContact CD2-CD2 4.04Å; L45-Y50 HydrophobicContact CD2-CG 3.89Å; L45-Y50 PolarHBondContact O-N 3.31Å; A48-Y50 HydrophobicContact CB-CD2 3.67Å; A48-Y50 HydrophobicContact CB-CE2 3.8Å; A48-Y50 PolarHBondContact O-N 3.4Å; Y50-F52 HydrophobicContact CD1-CZ 4.41Å; Y50-Q76 PolarHBondContact O-NE2 3.2Å; Y50-L217 HydrophobicContact CE1-CD2 4.11Å; Y50-L217 HydrophobicContact CE2-CD1 4.11Å; Y50-L217 HydrophobicContact CE2-CD2 4.23Å; Y50-L217 WeakPolarHBondContact OH-CD1 3.32Å; Y50-L233 HydrophobicContact CD2-CD2 4.34Å; Y50-L233 HydrophobicContact CE2-CD2 4.31Å
51E97.9Very high98.1Very high109 Ų10936.2 Ų36.251%0.50920%0.201SC..  trans-125.2150.4172.9-74176.6-174.900108.7R180E51-R180 VanDerWaalsContact CB-CZ 3.46Å; E51-R180 WeakPolarHBondContact O-CB 3.44Å; E51-R180 VanDerWaalsContact O-CD 3.27Å; E51-R180 WeakPolarHBondContact O-CD 3.37Å; E51-R180 PolarHBondContact O-NE 3.07Å; E51-R180 IonicContact OE2-CZ 2.99Å; E51-R180 IonicContact OE2-NH1 2.88Å; E51-R180 PolarHBondContact OE2-NH1 2.99Å; E51-R180 IonicContact OE2-NH2 3.81Å; E51-R180 PolarHBondContact OE2-NH2 3.13Å
52F98.7Very high98.1Very high4 Ų436.1 Ų36.12%0.01820%0.2CC..  trans-129.4160.5-177.1-57.6-74.5000111V7 L45 Y50 I74 L79 R180 L182V7-F52 HydrophobicContact CB-CE1 3.74Å; V7-F52 HydrophobicContact CB-CZ 3.99Å; V7-F52 HydrophobicContact CG1-CZ 4.32Å; V7-F52 HydrophobicContact CG2-CE1 3.55Å; V7-F52 HydrophobicContact CG2-CZ 3.81Å; L45-F52 HydrophobicContact CD1-CE2 4.17Å; L45-F52 HydrophobicContact CD1-CZ 4.15Å; L45-F52 HydrophobicContact CD2-CZ 4.03Å; Y50-F52 HydrophobicContact CD1-CZ 4.41Å; F52-I74 HydrophobicContact CD2-CD1 3.56Å; F52-I74 HydrophobicContact CE2-CD1 3.67Å; F52-L79 HydrophobicContact CB-CD1 3.61Å; F52-L79 WeakPolarHBondContact O-CD2 3.3Å; F52-R180 WeakPolarHBondContact CA-O 3.22Å; F52-R180 HydrophobicContact CD1-CB 4.43Å; F52-L182 HydrophobicContact CD1-CB 3.66Å; F52-L182 HydrophobicContact CD2-CB 4.29Å; F52-L182 HydrophobicContact CD2-CD2 4.2Å; F52-L182 HydrophobicContact CE1-CB 3.8Å; F52-L182 HydrophobicContact CE1-CD1 4.44Å; F52-L182 HydrophobicContact CE2-CB 4.42Å; F52-L182 HydrophobicContact CE2-CD2 4.09Å; F52-L182 HydrophobicContact CG-CB 3.9Å; F52-L182 HydrophobicContact CZ-CB 4.17Å; F52-L182 HydrophobicContact CZ-CD1 4.22Å; F52-L182 HydrophobicContact CZ-CD2 4.4Å; F52-L182 HydrophobicContact CZ-CG 4.5Å
53D98.8Very high98.2Very high52 Ų5236.1 Ų36.128%0.27820%0.2SC..SBendtrans-120.2-22.2179.9-50.3-63000111.6P80 K179 R180D53-P80 WeakPolarHBondContact O-CD 3.38Å; D53-P80 VanDerWaalsContact O-CG 3.32Å; D53-P80 WeakPolarHBondContact O-CG 3.37Å; D53-K179 HydrophobicContact CB-CB 4.03Å; D53-K179 HydrophobicContact CB-CD 4.44Å; D53-K179 HydrophobicContact CB-CG 4.2Å; D53-R180 PolarHBondContact N-O 3.47Å; D53-R180 IonicContact OD1-CZ 3.08Å; D53-R180 IonicContact OD1-NE 2.82Å; D53-R180 IonicContact OD1-NH2 3.3Å; D53-R180 PolarHBondContact OD1-NH2 3.11Å; D53-R180 WeakPolarHBondContact OD2-CB 3.14Å; D53-R180 IonicContact OD2-CZ 3.01Å; D53-R180 PolarHBondContact OD2-N 3.34Å; D53-R180 IonicContact OD2-NE 3.95Å; D53-R180 PolarHBondContact OD2-NE 2.97Å; D53-R180 IonicContact OD2-NH2 3.34Å
54V98.8Very high98.2Very high3 Ų333.1 Ų33.12%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-155144.6177.762.50000111.1Y56 P80 Q174 K179 V181 L182V54-Y56 HydrophobicContact CG1-CE2 3.95Å; V54-Y56 HydrophobicContact CG2-CE2 3.85Å; V54-P80 HydrophobicContact CB-CG 4.34Å; V54-P80 HydrophobicContact CG2-CG 4.33Å; V54-Q174 HydrophobicContact CG1-CB 4.19Å; V54-Q174 HydrophobicContact CG1-CG 4.27Å; V54-K179 HydrophobicContact CG1-CB 4.37Å; V54-K179 HydrophobicContact CG1-CD 4.33Å; V54-V181 HydrophobicContact CG1-CG2 3.8Å; V54-L182 PolarHBondContact O-N 3.2Å
55C98.9Very high98.3Very high0 Ų036.3 Ų36.30%019%0.194CC..EExtended strand (participates in β ladder)trans-123.4145.7179.5-54.40000112.3L67 P80 V81 H82 L182C55-L67 HydrophobicContact CB-CD1 3.96Å; C55-L67 HydrophobicContact CB-CD2 3.82Å; C55-L67 HydrophobicContact CB-CG 4.46Å; C55-P80 PolarHBondContact N-O 3.32Å; C55-V81 HydrophobicContact CB-CG2 4.19Å; C55-V81 WeakPolarHBondContact O-CA 3.45Å; C55-H82 PolarHBondContact O-N 3.42Å; C55-L182 CarbonylContact C-O 3.59Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 3.42Å
56Y98.9Very high98.3Very high2 Ų236.3 Ų36.31%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-125.4141.4176.3-64.5-88.3000110.8V54 H82 F166 E170 I171 Q174 V181 L182 I183 A184V54-Y56 HydrophobicContact CG1-CE2 3.95Å; V54-Y56 HydrophobicContact CG2-CE2 3.85Å; Y56-H82 WeakPolarHBondContact CA-O 3.33Å; Y56-H82 HydrophobicContact CD1-CB 3.66Å; Y56-H82 HydrophobicContact CE1-CB 3.75Å; Y56-F166 AromaticContact CD1-CE1 3.59Å; Y56-F166 HydrophobicContact CD1-CE1 3.59Å; Y56-F166 AromaticContact CD1-CZ 3.55Å; Y56-F166 HydrophobicContact CD1-CZ 3.55Å; Y56-F166 HydrophobicContact CE1-CE1 4.07Å; Y56-F166 AromaticContact CE1-CZ 3.79Å; Y56-F166 HydrophobicContact CE1-CZ 3.79Å; Y56-F166 HydrophobicContact CG-CE1 4.37Å; Y56-E170 PolarHBondContact OH-O 3.44Å; Y56-I171 HydrophobicContact CD1-CD1 4.49Å; Y56-I171 HydrophobicContact CD1-CG1 4.01Å; Y56-I171 HydrophobicContact CD2-CD1 4.49Å; Y56-I171 HydrophobicContact CD2-CG1 3.9Å; Y56-I171 HydrophobicContact CE1-CG1 3.94Å; Y56-I171 HydrophobicContact CE2-CG1 3.84Å; Y56-I171 HydrophobicContact CG-CD1 4.28Å; Y56-I171 HydrophobicContact CG-CG1 3.97Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.38Å; Y56-V181 HydrophobicContact CD2-CG1 3.63Å; Y56-V181 HydrophobicContact CE2-CG1 3.81Å; Y56-L182 PolarHBondContact N-O 3.29Å; Y56-I183 WeakPolarHBondContact O-CA 3.41Å; Y56-A184 PolarHBondContact O-N 3.27Å
57T98.9Very high98.4Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-149.2171.9173-167.80000111.8A63 I64 L67 V81 H82 R83 T84 A184T57-A63 WeakPolarHBondContact OG1-CB 3.42Å; T57-I64 HydrophobicContact CG2-CG1 3.75Å; T57-L67 HydrophobicContact CG2-CD2 4.01Å; T57-V81 HydrophobicContact CG2-CG1 4.11Å; T57-H82 PolarHBondContact N-O 3.14Å; T57-R83 HydrophobicContact CG2-CG 3.68Å; T57-R83 WeakPolarHBondContact O-CA 3.46Å; T57-T84 PolarHBondContact O-N 2.68Å; T57-T84 VanDerWaalsContact O-N 3.08Å; T57-A184 WeakPolarHBondContact CA-O 3Å; T57-A184 VanDerWaalsContact CB-O 3.26Å; T57-A184 WeakPolarHBondContact CB-O 3.5Å; T57-A184 PolarHBondContact OG1-O 3.05Å
58S98.8Very high98.5Very high0 Ų031.4 Ų31.40%016%0.164CC..  trans-76.2-176.8174.877.30000111.5L60 A63 T84 N88 H186S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 PolarHBondContact OG-N 3.27Å; S58-L60 VanDerWaalsContact OG-N 3.13Å; S58-A63 WeakPolarHBondContact OG-CB 3.47Å; S58-T84 VanDerWaalsContact CA-O 3.3Å; S58-T84 WeakPolarHBondContact CA-O 3.39Å; S58-N88 WeakPolarHBondContact CB-OD1 3.49Å; S58-H186 WeakPolarHBondContact CB-NE2 3.46Å; S58-H186 PolarHBondContact OG-NE2 3.2Å
59V98.8Very high98.6Very high25 Ų2530.3 Ų30.315%0.15215%0.151CC..SBendtrans-92.612.5170.2-61.70000112.7R83 W85 N88 R141 Y142V59-R83 HydrophobicContact CG1-CB 4.32Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.23Å; V59-N88 PolarHBondContact N-OD1 3.16Å; V59-N88 VanDerWaalsContact N-OD1 3.16Å; V59-R141 HydrophobicContact CG2-CG 4.36Å; V59-R141 PolarHBondContact O-NH1 3.34Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å
60L98.8Very high98.7Very high0 Ų027.4 Ų27.40%012%0.121CC..SBendtrans-100.7129.4-177.8-62.1166000110.6W25 D27 S58 R62 A63 I64 N88 E89 H186W25-L60 WeakPolarHBondContact O-CD2 3.45Å; D27-L60 HydrophobicContact CB-CD2 4.42Å; D27-L60 WeakPolarHBondContact OD1-CA 3.39Å; S58-L60 VanDerWaalsContact C-N 3.3Å; S58-L60 PolarHBondContact OG-N 3.27Å; S58-L60 VanDerWaalsContact OG-N 3.13Å; L60-R62 PolarHBondContact O-N 3.16Å; L60-R62 VanDerWaalsContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 3.24Å; L60-I64 PolarHBondContact O-N 2.72Å; L60-N88 HydrophobicContact CD1-CB 3.94Å; L60-E89 HydrophobicContact CD1-CB 4.49Å; L60-H186 WeakPolarHBondContact CD1-NE2 3.48Å
61K98.8Very high98.8Very high77 Ų7725.6 Ų25.634%0.33511%0.114SC..Hα-helixtrans-57-35.5-167.274.6-178.863166.60113.4D27 D29 A63 I64 R65D27-K61 WeakPolarHBondContact O-CD 3.44Å; D27-K61 WeakPolarHBondContact O-CE 3.33Å; D27-K61 PolarHBondContact O-NZ 3.39Å; D27-K61 WeakPolarHBondContact OD1-CG 3.46Å; D27-K61 PolarHBondContact OD1-N 3.08Å; D27-K61 WeakPolarHBondContact OD2-CE 3.33Å; D27-K61 IonicContact OD2-NZ 2.72Å; D29-K61 HydrophobicContact CB-CD 3.88Å; D29-K61 HydrophobicContact CB-CG 4.48Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.94Å; K61-I64 PolarHBondContact O-N 2.89Å; K61-R65 WeakPolarHBondContact O-CB 3.44Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 2.88Å
62R98.8Very high98.8Very high2 Ų225 Ų251%0.00812%0.115CC..Hα-helixtrans-61.8-37.2178.559.4-171.7-179.1-88.64.1113.5H11 C23 G24 F26 A28 L30 L60 T66 H186H11-R62 VanDerWaalsContact CE1-CD 3.48Å; H11-R62 WeakPolarHBondContact CE1-CD 3.32Å; H11-R62 PolarHBondContact NE2-NE 3.46Å; C23-R62 VanDerWaalsContact SG-CZ 3.56Å; G24-R62 PolarHBondContact O-NH2 3.21Å; F26-R62 PolarHBondContact O-NH1 3.09Å; A28-R62 WeakPolarHBondContact O-CB 3.34Å; L30-R62 HydrophobicContact CD2-CB 3.9Å; L30-R62 HydrophobicContact CG-CB 4.21Å; L60-R62 PolarHBondContact O-N 3.16Å; L60-R62 VanDerWaalsContact O-N 3.1Å; R62-T66 WeakPolarHBondContact O-CB 3.5Å; R62-T66 PolarHBondContact O-N 3.1Å; R62-T66 VanDerWaalsContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.85Å; R62-H186 PolarHBondContact NE-CE1 3.24Å
63A98.8Very high98.8Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-75.6-41176.100000110.9H11 T57 S58 L60 K61 T66 L67H11-A63 HydrophobicContact CB-CB 4.5Å; T57-A63 WeakPolarHBondContact OG1-CB 3.42Å; S58-A63 WeakPolarHBondContact OG-CB 3.47Å; L60-A63 PolarHBondContact O-N 3.24Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.94Å; A63-T66 PolarHBondContact O-N 3.09Å; A63-L67 PolarHBondContact O-N 3.12Å
64I98.9Very high98.8Very high23 Ų2324 Ų2412%0.11811%0.114CC..Hα-helixtrans-60.8-48.4176-62.7165.5000111.2T57 L60 K61 L67 W68T57-I64 HydrophobicContact CG2-CG1 3.75Å; L60-I64 PolarHBondContact O-N 2.72Å; K61-I64 PolarHBondContact O-N 2.89Å; I64-L67 WeakPolarHBondContact O-CB 3.44Å; I64-L67 PolarHBondContact O-N 2.78Å; I64-W68 HydrophobicContact CG2-CD2 4.02Å; I64-W68 HydrophobicContact CG2-CE3 4.48Å; I64-W68 HydrophobicContact CG2-CH2 4.23Å; I64-W68 HydrophobicContact CG2-CZ2 3.73Å; I64-W68 PolarHBondContact O-N 2.97Å
65R98.8Very high98.8Very high83 Ų8330 Ų3031%0.31315%0.147SC..Hα-helixtrans-65.4-38.6177.6-73.3177.771.684.2-1.4111.9D29 L30 E35 K61 L67 W68 L69D29-R65 WeakPolarHBondContact OD1-CD 3.46Å; D29-R65 IonicContact OD1-NE 2.78Å; D29-R65 PolarHBondContact OD1-NE 3.47Å; L30-R65 HydrophobicContact CD1-CB 3.82Å; L30-R65 HydrophobicContact CG-CB 4.49Å; E35-R65 IonicContact OE1-CZ 3.84Å; E35-R65 IonicContact OE1-NE 3.85Å; E35-R65 IonicContact OE1-NH2 2.78Å; E35-R65 PolarHBondContact OE1-NH2 2.88Å; K61-R65 WeakPolarHBondContact O-CB 3.44Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 2.88Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.44Å; R65-W68 HydrophobicContact CG-CE3 4.47Å; R65-W68 PolarHBondContact O-N 3.41Å; R65-L69 VanDerWaalsContact O-CG 3.31Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 2.9Å
66T98.9Very high98.7Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-57.7-47.9172.5-60.50000110.3I9 H11 G12 A38 R62 A63 W68 L69 V70I9-T66 HydrophobicContact CD1-CG2 4.2Å; I9-T66 HydrophobicContact CG1-CG2 4.48Å; H11-T66 WeakPolarHBondContact CA-OG1 3.37Å; H11-T66 VanDerWaalsContact CB-OG1 3.28Å; H11-T66 WeakPolarHBondContact CB-OG1 3.49Å; G12-T66 PolarHBondContact N-OG1 3.03Å; A38-T66 HydrophobicContact CB-CG2 3.78Å; R62-T66 WeakPolarHBondContact O-CB 3.5Å; R62-T66 PolarHBondContact O-N 3.1Å; R62-T66 VanDerWaalsContact O-N 3.09Å; R62-T66 PolarHBondContact O-OG1 2.85Å; A63-T66 PolarHBondContact O-N 3.09Å; T66-W68 PolarHBondContact O-N 3.1Å; T66-L69 PolarHBondContact O-N 3.25Å; T66-V70 WeakPolarHBondContact O-CG2 3.19Å; T66-V70 PolarHBondContact O-N 3.24Å
67L98.9Very high98.7Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-59.1-46.6176.4-178.558.6000111.7C55 T57 A63 I64 R65 L69 V70 L71 V81 L182 A184C55-L67 HydrophobicContact CB-CD1 3.96Å; C55-L67 HydrophobicContact CB-CD2 3.82Å; C55-L67 HydrophobicContact CB-CG 4.46Å; T57-L67 HydrophobicContact CG2-CD2 4.01Å; A63-L67 PolarHBondContact O-N 3.12Å; I64-L67 WeakPolarHBondContact O-CB 3.44Å; I64-L67 PolarHBondContact O-N 2.78Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.44Å; L67-L69 PolarHBondContact O-N 3.27Å; L67-V70 PolarHBondContact O-N 3.28Å; L67-L71 HydrophobicContact CD1-CD1 4.16Å; L67-L71 HydrophobicContact CD1-CD2 4.33Å; L67-L71 HydrophobicContact CD1-CG 3.96Å; L67-L71 HydrophobicContact CG-CD1 4Å; L67-L71 HydrophobicContact CG-CG 4.19Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 3.22Å; L67-V81 HydrophobicContact CD2-CB 4.46Å; L67-V81 HydrophobicContact CD2-CG1 3.51Å; L67-V81 HydrophobicContact CD2-CG2 4.1Å; L67-L182 HydrophobicContact CD1-CD2 3.51Å; L67-L182 HydrophobicContact CD1-CG 4.03Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.21Å; L67-A184 HydrophobicContact CG-CB 4.41Å
68W98.9Very high98.7Very high125 Ų12545.6 Ų45.647%0.47321%0.212SC..Hα-helixtrans-59.7-44.9178.9-70.3-12.8000113.1I64 R65 T66 V70 L71 D72I64-W68 HydrophobicContact CG2-CD2 4.02Å; I64-W68 HydrophobicContact CG2-CE3 4.48Å; I64-W68 HydrophobicContact CG2-CH2 4.23Å; I64-W68 HydrophobicContact CG2-CZ2 3.73Å; I64-W68 PolarHBondContact O-N 2.97Å; R65-W68 HydrophobicContact CG-CE3 4.47Å; R65-W68 PolarHBondContact O-N 3.41Å; T66-W68 PolarHBondContact O-N 3.1Å; W68-V70 VanDerWaalsContact C-N 3.3Å; W68-V70 PolarHBondContact O-N 3.26Å; W68-L71 PolarHBondContact O-N 3.19Å; W68-D72 VanDerWaalsContact O-CB 3.31Å; W68-D72 WeakPolarHBondContact O-CB 3.22Å; W68-D72 PolarHBondContact O-N 2.8Å
69L98.9Very high98.7Very high28 Ų2846 Ų4615%0.14721%0.214CC..Hα-helixtrans-64.2-36.2177.3-69.1170.7000112L30 E35 A38 K39 R65 T66 L67 G73L30-L69 HydrophobicContact CD1-CD1 4.15Å; E35-L69 HydrophobicContact CB-CD1 4.05Å; E35-L69 HydrophobicContact CG-CD1 4.2Å; A38-L69 HydrophobicContact CB-CB 3.95Å; A38-L69 HydrophobicContact CB-CD1 3.79Å; K39-L69 HydrophobicContact CG-CB 4.41Å; K39-L69 HydrophobicContact CG-CD2 4.22Å; R65-L69 VanDerWaalsContact O-CG 3.31Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 2.9Å; T66-L69 PolarHBondContact O-N 3.25Å; L67-L69 PolarHBondContact O-N 3.27Å; L69-G73 PolarHBondContact O-N 2.85Å
70V98.8Very high98.7Very high0 Ų047.7 Ų47.70%023%0.226CC..Hα-helixtrans-65.7-49.8173.3168.40000110.7I9 L45 T66 L67 W68 D72 G73 I74 L182I9-V70 HydrophobicContact CD1-CG2 3.94Å; L45-V70 HydrophobicContact CD1-CG1 3.76Å; T66-V70 WeakPolarHBondContact O-CG2 3.19Å; T66-V70 PolarHBondContact O-N 3.24Å; L67-V70 PolarHBondContact O-N 3.28Å; W68-V70 VanDerWaalsContact C-N 3.3Å; W68-V70 PolarHBondContact O-N 3.26Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 3.49Å; V70-G73 PolarHBondContact O-N 2.96Å; V70-I74 HydrophobicContact CG1-CD1 4.38Å; V70-I74 WeakPolarHBondContact O-CG1 3.14Å; V70-I74 PolarHBondContact O-N 2.79Å; V70-L182 HydrophobicContact CG1-CD2 3.86Å
71L98.8Very high98.7Very high4 Ų449.3 Ų49.32%0.02124%0.236CC..Hα-helixtrans-62.4-38.5-179.1-70.1-176.1000112.7L67 W68 I74 D75 Q76 M77 L79 V81 L182L67-L71 HydrophobicContact CD1-CD1 4.16Å; L67-L71 HydrophobicContact CD1-CD2 4.33Å; L67-L71 HydrophobicContact CD1-CG 3.96Å; L67-L71 HydrophobicContact CG-CD1 4Å; L67-L71 HydrophobicContact CG-CG 4.19Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 3.22Å; W68-L71 PolarHBondContact O-N 3.19Å; L71-I74 HydrophobicContact CD2-CD1 4.13Å; L71-D75 PolarHBondContact O-N 3.11Å; L71-D75 VanDerWaalsContact O-N 3.14Å; L71-Q76 HydrophobicContact CD2-CB 4.38Å; L71-Q76 PolarHBondContact O-N 2.78Å; L71-M77 HydrophobicContact CB-CG 4.39Å; L71-L79 HydrophobicContact CD2-CD1 3.96Å; L71-V81 HydrophobicContact CD1-CG2 3.99Å; L71-L182 HydrophobicContact CD2-CD2 4.38Å
72D98.8Very high98.7Very high98 Ų9849.9 Ų49.952%0.52424%0.24SC..Hα-helixtrans-63.2-47.8172.7-174.735.5000110.8W68 V70 I74 D75 M77W68-D72 VanDerWaalsContact O-CB 3.31Å; W68-D72 WeakPolarHBondContact O-CB 3.22Å; W68-D72 PolarHBondContact O-N 2.8Å; V70-D72 VanDerWaalsContact C-N 3.33Å; V70-D72 PolarHBondContact O-N 3.49Å; D72-I74 VanDerWaalsContact C-N 3.31Å; D72-I74 PolarHBondContact O-N 2.87Å; D72-D75 PolarHBondContact O-N 3.02Å; D72-D75 VanDerWaalsContact O-N 3.13Å; D72-M77 HydrophobicContact CB-CG 4.26Å; D72-M77 HydrophobicContact CB-SD 4.09Å
73G98Very high98.7Very high21 Ų2155 Ų5522%0.21626%0.259CS..Hα-helixtrans-59.1-38.417900000114.2K46 L69 V70K46-G73 WeakPolarHBondContact CD-O 3.1Å; K46-G73 PolarHBondContact NZ-O 3.44Å; L69-G73 PolarHBondContact O-N 2.85Å; V70-G73 PolarHBondContact O-N 2.96Å
74I98.3Very high98.7Very high12 Ų1255.8 Ų55.86%0.06226%0.264CS..THydrogen-bonded Turntrans-92.85.618071.8-177.1000113.9G42 L45 K46 F52 V70 L71 D72 Q76G42-I74 VanDerWaalsContact O-CG2 3.23Å; G42-I74 WeakPolarHBondContact O-CG2 3.15Å; L45-I74 HydrophobicContact CB-CG2 3.93Å; K46-I74 HydrophobicContact CB-CG2 4.14Å; F52-I74 HydrophobicContact CD2-CD1 3.56Å; F52-I74 HydrophobicContact CE2-CD1 3.67Å; V70-I74 HydrophobicContact CG1-CD1 4.38Å; V70-I74 WeakPolarHBondContact O-CG1 3.14Å; V70-I74 PolarHBondContact O-N 2.79Å; L71-I74 HydrophobicContact CD2-CD1 4.13Å; D72-I74 VanDerWaalsContact C-N 3.31Å; D72-I74 PolarHBondContact O-N 2.87Å; I74-Q76 HydrophobicContact CD1-CB 4.09Å; I74-Q76 HydrophobicContact CD1-CG 4.31Å; I74-Q76 HydrophobicContact CG1-CB 3.84Å; I74-Q76 HydrophobicContact CG1-CG 4.01Å; I74-Q76 PolarHBondContact O-N 2.88Å; I74-Q76 PolarHBondContact O-NE2 2.94Å
75D98.5Very high98.7Very high131 Ų13156 Ų5670%0.70126%0.263SS*.THydrogen-bonded Turntrans5642.6-178.6-163.525.7000114.5L71 D72L71-D75 PolarHBondContact O-N 3.11Å; L71-D75 VanDerWaalsContact O-N 3.14Å; D72-D75 PolarHBondContact O-N 3.02Å; D72-D75 VanDerWaalsContact O-N 3.13Å
76Q98.6Very high98.7Very high18 Ų1855 Ų558%0.08426%0.259CS..  trans-128.933.4-177.8-65.6165.961.300112.3Y50 L71 I74 W78 L79Y50-Q76 PolarHBondContact O-NE2 3.2Å; L71-Q76 HydrophobicContact CD2-CB 4.38Å; L71-Q76 PolarHBondContact O-N 2.78Å; I74-Q76 HydrophobicContact CD1-CB 4.09Å; I74-Q76 HydrophobicContact CD1-CG 4.31Å; I74-Q76 HydrophobicContact CG1-CB 3.84Å; I74-Q76 HydrophobicContact CG1-CG 4.01Å; I74-Q76 PolarHBondContact O-N 2.88Å; I74-Q76 PolarHBondContact O-NE2 2.94Å; Q76-W78 PolarHBondContact O-N 2.74Å; Q76-W78 VanDerWaalsContact O-N 3.1Å; Q76-L79 HydrophobicContact CB-CD1 3.63Å; Q76-L79 HydrophobicContact CB-CG 3.95Å; Q76-L79 HydrophobicContact CG-CD1 4.42Å; Q76-L79 WeakPolarHBondContact O-CB 3.39Å; Q76-L79 WeakPolarHBondContact O-CG 3.48Å; Q76-L79 PolarHBondContact O-N 3.13Å; Q76-L79 VanDerWaalsContact O-N 3.16Å
77M98.7Very high98.7Very high118 Ų11855 Ų5558%0.58126%0.26SS*.THydrogen-bonded Turntrans-61.1-19.1178.9-66.7-171.375.800114.4L71 D72 L79L71-M77 HydrophobicContact CB-CG 4.39Å; D72-M77 HydrophobicContact CB-CG 4.26Å; D72-M77 HydrophobicContact CB-SD 4.09Å; M77-L79 PolarHBondContact O-N 3.41Å
78W98.7Very high98.7Very high192 Ų19255 Ų5573%0.72726%0.26SS*.THydrogen-bonded Turntrans-76.6-9.3179.459.3-93.1000113.5Q76Q76-W78 PolarHBondContact O-N 2.74Å; Q76-W78 VanDerWaalsContact O-N 3.1Å
79L98.8Very high98.6Very high8 Ų849.8 Ų49.84%0.04224%0.24CC..SBendtrans-63.4146.1-177.2-71.8176.9000112.8F52 L71 Q76 M77 V81F52-L79 HydrophobicContact CB-CD1 3.61Å; F52-L79 WeakPolarHBondContact O-CD2 3.3Å; L71-L79 HydrophobicContact CD2-CD1 3.96Å; Q76-L79 HydrophobicContact CB-CD1 3.63Å; Q76-L79 HydrophobicContact CB-CG 3.95Å; Q76-L79 HydrophobicContact CG-CD1 4.42Å; Q76-L79 WeakPolarHBondContact O-CB 3.39Å; Q76-L79 WeakPolarHBondContact O-CG 3.48Å; Q76-L79 PolarHBondContact O-N 3.13Å; Q76-L79 VanDerWaalsContact O-N 3.16Å; M77-L79 PolarHBondContact O-N 3.41Å; L79-V81 PolarHBondContact O-N 3.35Å
80P98.8Very high98.5Very high62 Ų6248.4 Ų48.440%0.40323%0.233SC..  trans-65.1130.3173.726.7-32000110.7D53 V54 C55D53-P80 WeakPolarHBondContact O-CD 3.38Å; D53-P80 VanDerWaalsContact O-CG 3.32Å; D53-P80 WeakPolarHBondContact O-CG 3.37Å; V54-P80 HydrophobicContact CB-CG 4.34Å; V54-P80 HydrophobicContact CG2-CG 4.33Å; C55-P80 PolarHBondContact N-O 3.32Å
81V98.9Very high98.5Very high33 Ų3348.4 Ų48.420%0.223%0.233CC..EExtended strand (participates in β ladder)trans-119.5116.6179.8-178.40000110.9C55 T57 L67 L71 L79 R83C55-V81 HydrophobicContact CB-CG2 4.19Å; C55-V81 WeakPolarHBondContact O-CA 3.45Å; T57-V81 HydrophobicContact CG2-CG1 4.11Å; L67-V81 HydrophobicContact CD2-CB 4.46Å; L67-V81 HydrophobicContact CD2-CG1 3.51Å; L67-V81 HydrophobicContact CD2-CG2 4.1Å; L71-V81 HydrophobicContact CD1-CG2 3.99Å; L79-V81 PolarHBondContact O-N 3.35Å; V81-R83 HydrophobicContact CG1-CG 4.47Å; V81-R83 PolarHBondContact O-NH1 3.13Å
82H98.8Very high98.4Very high90 Ų9049.2 Ų49.242%0.41724%0.236SC..EExtended strand (participates in β ladder)trans-99.7133.6175.5-59-90.9000110.8C55 Y56 T57C55-H82 PolarHBondContact O-N 3.42Å; Y56-H82 WeakPolarHBondContact CA-O 3.33Å; Y56-H82 HydrophobicContact CD1-CB 3.66Å; Y56-H82 HydrophobicContact CE1-CB 3.75Å; T57-H82 PolarHBondContact N-O 3.14Å
83R98.8Very high98.3Very high108 Ų10844.6 Ų44.641%0.40821%0.211SC..EExtended strand (participates in β ladder)trans-117.6136.5-177.5-67.1170-177.276.8-1109.7T57 V59 V81T57-R83 HydrophobicContact CG2-CG 3.68Å; T57-R83 WeakPolarHBondContact O-CA 3.46Å; V59-R83 HydrophobicContact CG1-CB 4.32Å; V81-R83 HydrophobicContact CG1-CG 4.47Å; V81-R83 PolarHBondContact O-NH1 3.13Å
84T98.7Very high98.2Very high17 Ų1744.6 Ų44.610%0.10421%0.211CC..  trans-150.2142.5177.8-178.50000112.5T57 S58 R86 L87 F166T57-T84 PolarHBondContact O-N 2.68Å; T57-T84 VanDerWaalsContact O-N 3.08Å; S58-T84 VanDerWaalsContact CA-O 3.3Å; S58-T84 WeakPolarHBondContact CA-O 3.39Å; T84-R86 HydrophobicContact CG2-CB 4.18Å; T84-R86 PolarHBondContact O-N 3.04Å; T84-R86 PolarHBondContact OG1-N 3.17Å; T84-L87 HydrophobicContact CG2-CB 4.03Å; T84-L87 HydrophobicContact CG2-CD1 3.94Å; T84-L87 HydrophobicContact CG2-CG 3.69Å; T84-L87 PolarHBondContact O-N 3.36Å; T84-F166 HydrophobicContact CG2-CD1 3.69Å; T84-F166 HydrophobicContact CG2-CD2 3.91Å; T84-F166 HydrophobicContact CG2-CE1 3.44Å; T84-F166 VanDerWaalsContact CG2-CE1 3.44Å; T84-F166 HydrophobicContact CG2-CE2 3.67Å; T84-F166 HydrophobicContact CG2-CG 3.92Å; T84-F166 HydrophobicContact CG2-CZ 3.43Å; T84-F166 VanDerWaalsContact CG2-CZ 3.43Å
85W98.6Very high98.1Very high28 Ų2844.3 Ų44.311%0.10621%0.21CC..G310 helixtrans-63.3-24.217273.9-92.3000111.9W25 V59 L87 N88 Y142 L145 Q149 R162W25-W85 AromaticContact CH2-CE3 3.69Å; W25-W85 HydrophobicContact CH2-CE3 3.69Å; W25-W85 HydrophobicContact CH2-CZ3 4.24Å; W25-W85 AromaticContact CZ2-CE3 3.95Å; W25-W85 HydrophobicContact CZ2-CE3 3.95Å; W25-W85 HydrophobicContact CZ2-CZ3 4.38Å; V59-W85 HydrophobicContact CG2-CB 4.17Å; W85-L87 PolarHBondContact O-N 3.4Å; W85-L87 VanDerWaalsContact O-N 3.07Å; W85-N88 WeakPolarHBondContact O-CB 3.4Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 3.32Å; W85-Y142 HydrophobicContact CB-CD1 4.26Å; W85-Y142 HydrophobicContact CB-CE1 3.96Å; W85-L145 HydrophobicContact CB-CD1 4.44Å; W85-L145 HydrophobicContact CD2-CD1 3.93Å; W85-L145 HydrophobicContact CG-CD1 3.82Å; W85-L145 HydrophobicContact CG-CD2 4.38Å; W85-Q149 HydrophobicContact CH2-CB 4.42Å; W85-Q149 WeakPolarHBondContact CH2-O 3.41Å; W85-Q149 HydrophobicContact CZ2-CB 4.04Å; W85-Q149 HydrophobicContact CZ2-CG 4.41Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.47Å; W85-R162 HydrophobicContact CH2-CB 3.8Å; W85-R162 HydrophobicContact CH2-CG 4.18Å; W85-R162 HydrophobicContact CZ3-CB 3.97Å; W85-R162 HydrophobicContact CZ3-CG 3.82Å
86R98.4Very high98.1Very high61 Ų6138.1 Ų38.123%0.2318%0.177CC..G310 helixtrans-64-14.4177.8-66.1-178.4176.7-84.51.2113.4T84 R162 A163 F166T84-R86 HydrophobicContact CG2-CB 4.18Å; T84-R86 PolarHBondContact O-N 3.04Å; T84-R86 PolarHBondContact OG1-N 3.17Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.44Å; R86-R162 WeakPolarHBondContact CD-O 3.22Å; R86-R162 WeakPolarHBondContact CG-O 3.41Å; R86-R162 PolarHBondContact NH1-O 3.33Å; R86-R162 PolarHBondContact O-NH1 3.31Å; R86-A163 WeakPolarHBondContact O-CA 3.45Å; R86-A163 WeakPolarHBondContact O-CB 3.36Å; R86-F166 HydrophobicContact CB-CB 3.89Å; R86-F166 HydrophobicContact CB-CG 4.33Å; R86-F166 HydrophobicContact CG-CB 4.46Å
87L98.7Very high97.9Very high1 Ų137.5 Ų37.51%0.00518%0.175CC..G310 helixtrans-100.2-0.9171.7-71.3179.5000113.7T84 W85 F166 I183 A185 H186 S189 I193T84-L87 HydrophobicContact CG2-CB 4.03Å; T84-L87 HydrophobicContact CG2-CD1 3.94Å; T84-L87 HydrophobicContact CG2-CG 3.69Å; T84-L87 PolarHBondContact O-N 3.36Å; W85-L87 PolarHBondContact O-N 3.4Å; W85-L87 VanDerWaalsContact O-N 3.07Å; L87-F166 HydrophobicContact CD1-CD1 4.3Å; L87-F166 HydrophobicContact CD1-CE1 3.93Å; L87-F166 HydrophobicContact CD2-CD1 4.47Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; L87-I183 HydrophobicContact CD1-CG2 4.11Å; L87-A185 HydrophobicContact CB-CB 4.49Å; L87-H186 PolarHBondContact O-CD2 3.1Å; L87-H186 VanDerWaalsContact O-CD2 3.31Å; L87-S189 WeakPolarHBondContact O-CB 3.27Å; L87-S189 PolarHBondContact O-OG 3.07Å; L87-I193 HydrophobicContact CD2-CD1 4.09Å
88N98.8Very high97.8Very high0 Ų035.4 Ų35.40%017%0.166CC..SBendtrans-54.3158.2175.7-76.4-0.2000111.8W25 S58 V59 L60 W85 Y142 R162 S189W25-N88 HydrophobicContact CZ2-CB 4.24Å; S58-N88 WeakPolarHBondContact CB-OD1 3.49Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.23Å; V59-N88 PolarHBondContact N-OD1 3.16Å; V59-N88 VanDerWaalsContact N-OD1 3.16Å; L60-N88 HydrophobicContact CD1-CB 3.94Å; W85-N88 WeakPolarHBondContact O-CB 3.4Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 3.32Å; N88-Y142 PolarHBondContact ND2-OH 3.07Å; N88-R162 PolarHBondContact O-NH1 2.92Å; N88-R162 PolarHBondContact O-NH2 2.87Å; N88-S189 WeakPolarHBondContact O-CB 3.47Å; N88-S189 PolarHBondContact O-OG 2.86Å
89E97.9Very high97.5Very high15 Ų1527.7 Ų27.77%0.0714%0.139CC..PPolyproline II helixtrans-58.2162.7168.1-172.253.6-74.800110.8W25 L60 H91 Y92 R162 H186 G187 N188W25-E89 PolarHBondContact NE1-O 3.46Å; L60-E89 HydrophobicContact CD1-CB 4.49Å; E89-H91 PolarHBondContact O-N 3.26Å; E89-Y92 HydrophobicContact CG-CE2 4.4Å; E89-R162 PolarHBondContact O-NH2 3.44Å; E89-H186 HydrophobicContact CB-CB 3.68Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 2.91Å; E89-H186 WeakPolarHBondContact OE2-CB 3.36Å; E89-G187 PolarHBondContact OE2-N 2.91Å; E89-N188 WeakPolarHBondContact OE1-CB 3.23Å; E89-N188 PolarHBondContact OE1-N 2.86Å; E89-N188 PolarHBondContact OE1-ND2 2.71Å
90R97Very high97Very high0 Ų028 Ų280%014%0.14CC..PPolyproline II helixtrans-53.2130.3168.6178.8178.8178.1173.50.9111G24 Y92 W115 S118 T121 E154 N188G24-R90 VanDerWaalsContact CA-O 3.3Å; G24-R90 WeakPolarHBondContact CA-O 3.42Å; R90-Y92 PolarHBondContact O-N 3.35Å; R90-W115 VanDerWaalsContact CZ-O 3.22Å; R90-W115 PolarHBondContact NH1-O 3.46Å; R90-W115 PolarHBondContact NH2-O 2.83Å; R90-S118 PolarHBondContact NH1-O 3.28Å; R90-T121 PolarHBondContact NH2-O 2.87Å; R90-E154 HydrophobicContact CG-CB 4.06Å; R90-E154 WeakPolarHBondContact CG-O 3.39Å; R90-E154 PolarHBondContact NE-O 3.06Å; R90-E154 PolarHBondContact NH2-O 3.32Å; R90-N188 HydrophobicContact CB-CB 3.87Å
91H97.6Very high96.4Very high0 Ų026.3 Ų26.30%013%0.131CC..  trans-70.1111172.2-159.6-72000110.3W25 E89 G93 P151 S152 E154W25-H91 AromaticContact CD1-CD2 3.74Å; W25-H91 AromaticContact CD2-CD2 3.41Å; W25-H91 VanDerWaalsContact CD2-CD2 3.41Å; W25-H91 AromaticContact CE2-CD2 3.84Å; W25-H91 AromaticContact CE3-CD2 3.85Å; W25-H91 HydrophobicContact CG-CB 4.31Å; W25-H91 AromaticContact CG-CD2 3.34Å; W25-H91 AromaticContact NE1-CD2 4Å; E89-H91 PolarHBondContact O-N 3.26Å; H91-G93 WeakPolarHBondContact ND1-CA 3.42Å; H91-G93 PolarHBondContact ND1-N 2.89Å; H91-G93 PolarHBondContact O-N 3.02Å; H91-P151 HydrophobicContact CB-CG 4.33Å; H91-P151 PolarHBondContact CD2-O 3.29Å; H91-S152 PolarHBondContact CE1-O 2.95Å; H91-S152 PolarHBondContact ND1-O 2.87Å; H91-E154 HydrophobicContact CB-CB 4.18Å; H91-E154 HydrophobicContact CB-CG 3.83Å; H91-E154 PolarHBondContact N-OE2 3.22Å; H91-E154 PolarHBondContact O-N 3.01Å
92Y97Very high96Very high21 Ų2130.6 Ų30.68%0.08215%0.149CC..  trans-80.31.1-178.7-74.4-65.6000114.2F22 G24 E89 R90 G94 L95 P123 N188F22-Y92 HydrophobicContact CB-CD2 4.25Å; F22-Y92 HydrophobicContact CB-CG 4.26Å; F22-Y92 AromaticContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD1 3.72Å; F22-Y92 HydrophobicContact CD1-CD2 4.14Å; F22-Y92 AromaticContact CD1-CE1 3.94Å; F22-Y92 HydrophobicContact CD1-CE1 3.94Å; F22-Y92 HydrophobicContact CD1-CE2 4.37Å; F22-Y92 AromaticContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CD1-CG 3.84Å; F22-Y92 HydrophobicContact CE1-CD1 4.18Å; F22-Y92 HydrophobicContact CE1-CE1 4.21Å; F22-Y92 HydrophobicContact CG-CG 4.49Å; G24-Y92 VanDerWaalsContact CA-CD2 3.49Å; E89-Y92 HydrophobicContact CG-CE2 4.4Å; R90-Y92 PolarHBondContact O-N 3.35Å; Y92-G94 PolarHBondContact O-N 3.19Å; Y92-L95 WeakPolarHBondContact O-CB 3.43Å; Y92-L95 PolarHBondContact O-N 3.5Å; Y92-L95 VanDerWaalsContact O-N 3.12Å; Y92-P123 WeakPolarHBondContact O-CB 3.25Å; Y92-P123 VanDerWaalsContact O-CG 3.3Å; Y92-P123 WeakPolarHBondContact O-CG 3.48Å; Y92-N188 PolarHBondContact OH-ND2 3.02Å; Y92-N188 VanDerWaalsContact OH-ND2 3.13Å
93G97Very high95.6Very high0 Ų026.7 Ų26.70%013%0.131CC..G310 helixtrans57-134.317600000112.3H91 L95 T96 P124 M126 S152H91-G93 WeakPolarHBondContact ND1-CA 3.42Å; H91-G93 PolarHBondContact ND1-N 2.89Å; H91-G93 PolarHBondContact O-N 3.02Å; G93-L95 PolarHBondContact O-N 3.31Å; G93-L95 VanDerWaalsContact O-N 3.08Å; G93-T96 VanDerWaalsContact O-CB 3.24Å; G93-T96 WeakPolarHBondContact O-CB 3.44Å; G93-T96 PolarHBondContact O-N 2.81Å; G93-T96 PolarHBondContact O-OG1 3.39Å; G93-P124 CarbonylContact C-O 3.56Å; G93-P124 WeakPolarHBondContact CA-O 3.18Å; G93-M126 VanDerWaalsContact O-CE 3.22Å; G93-M126 WeakPolarHBondContact O-CE 3.13Å; G93-S152 WeakPolarHBondContact CA-O 3.17Å
94G96.6Very high95Very high21 Ų2122.1 Ų22.122%0.21612%0.117CC..G310 helixtrans-64.6-6.717900000115.2Y92 T96 P124 P125Y92-G94 PolarHBondContact O-N 3.19Å; G94-T96 VanDerWaalsContact C-N 3.3Å; G94-P124 PolarHBondContact N-O 2.91Å; G94-P125 PolarHBondContact N-O 3.49Å
95L95.9Very high94.5Very high6 Ų629 Ų293%0.03115%0.148CC..G310 helixtrans-81.4-11.5171.2-55.9-179.4000112.7F22 Y92 G93 G97 L98 T103 W115 P123F22-L95 HydrophobicContact CB-CB 4.44Å; F22-L95 VanDerWaalsContact CB-O 3.31Å; F22-L95 WeakPolarHBondContact CB-O 3.43Å; F22-L95 HydrophobicContact CD2-CB 4.12Å; F22-L95 HydrophobicContact CE1-CD1 4.35Å; F22-L95 HydrophobicContact CE2-CB 4.47Å; F22-L95 HydrophobicContact CG-CB 4.16Å; F22-L95 HydrophobicContact CZ-CD1 4.25Å; Y92-L95 WeakPolarHBondContact O-CB 3.43Å; Y92-L95 PolarHBondContact O-N 3.5Å; Y92-L95 VanDerWaalsContact O-N 3.12Å; G93-L95 PolarHBondContact O-N 3.31Å; G93-L95 VanDerWaalsContact O-N 3.08Å; L95-G97 PolarHBondContact O-N 2.91Å; L95-L98 HydrophobicContact CD2-CD1 4.15Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 WeakPolarHBondContact O-CG 3.5Å; L95-L98 PolarHBondContact O-N 2.7Å; L95-T103 HydrophobicContact CD2-CG2 4.43Å; L95-W115 HydrophobicContact CD1-CB 3.86Å; L95-W115 HydrophobicContact CD1-CD2 3.84Å; L95-W115 HydrophobicContact CD1-CE3 3.72Å; L95-W115 HydrophobicContact CD1-CG 3.94Å; L95-W115 HydrophobicContact CD1-CZ3 4.49Å; L95-W115 HydrophobicContact CD2-CE3 4.13Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 4Å
96T97.3Very high93.9Very high2 Ų235.7 Ų35.71%0.01218%0.178CC..THydrogen-bonded Turntrans-60.4125.5-172.4-58.40000111.1W16 F26 G93 G94 L98 M126 H130 I136W16-T96 HydrophobicContact CZ3-CG2 4.1Å; F26-T96 HydrophobicContact CB-CG2 4.07Å; G93-T96 VanDerWaalsContact O-CB 3.24Å; G93-T96 WeakPolarHBondContact O-CB 3.44Å; G93-T96 PolarHBondContact O-N 2.81Å; G93-T96 PolarHBondContact O-OG1 3.39Å; G94-T96 VanDerWaalsContact C-N 3.3Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-M126 HydrophobicContact CG2-CE 4.05Å; T96-M126 WeakPolarHBondContact OG1-CE 3.46Å; T96-H130 PolarHBondContact O-CE1 2.87Å; T96-H130 VanDerWaalsContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 2.64Å; T96-I136 HydrophobicContact CG2-CD1 3.92Å
97G96.1Very high93.4Very high4 Ų436.9 Ų36.94%0.04119%0.186CC..THydrogen-bonded Turntrans88.7-14.9-177.800000115.2R21 F22 L95R21-G97 WeakPolarHBondContact CD-O 3.39Å; R21-G97 PolarHBondContact NH1-O 2.74Å; F22-G97 PolarHBondContact O-N 3.42Å; L95-G97 PolarHBondContact O-N 2.91Å
98L95.1Very high92.8Very high75 Ų7538.4 Ų38.439%0.39320%0.202SC..  trans-70.4144.1175.3-56.9-175.9000111.1R21 F22 L95 T96R21-L98 CarbonylContact C-O 3.52Å; R21-L98 VanDerWaalsContact CA-O 3.24Å; R21-L98 WeakPolarHBondContact CA-O 3.19Å; F22-L98 HydrophobicContact CD2-CB 4.41Å; F22-L98 WeakPolarHBondContact CD2-O 3.49Å; F22-L98 PolarHBondContact N-O 3.33Å; L95-L98 HydrophobicContact CD2-CD1 4.15Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 WeakPolarHBondContact O-CG 3.5Å; L95-L98 PolarHBondContact O-N 2.7Å; T96-L98 VanDerWaalsContact C-N 3.33Å
99N93.3Very high92.1Very high29 Ų2943.9 Ų43.916%0.15523%0.227CC..BIsolated β-bridgetrans-72.7133.4170.7-170.1-66.7000109.9E19 N20 A101 E102 T103E19-N99 PolarHBondContact O-ND2 3.46Å; N20-N99 PolarHBondContact ND2-OD1 2.95Å; N99-A101 VanDerWaalsContact C-N 3.34Å; N99-A101 PolarHBondContact O-N 3.18Å; N99-A101 WeakPolarHBondContact OD1-CB 3.38Å; N99-A101 PolarHBondContact OD1-N 3.05Å; N99-E102 HydrophobicContact CB-CB 4.08Å; N99-E102 HydrophobicContact CB-CG 3.86Å; N99-E102 VanDerWaalsContact CB-OE2 3.24Å; N99-E102 WeakPolarHBondContact CB-OE2 3.16Å; N99-T103 VanDerWaalsContact O-CB 3.31Å; N99-T103 WeakPolarHBondContact O-CB 3.28Å; N99-T103 PolarHBondContact O-N 3.45Å; N99-T103 PolarHBondContact O-OG1 3.28Å
100K88.6Confident91.6Very high15 Ų1546.7 Ų46.77%0.06525%0.253CS..Hα-helixtrans-65.7-34.8-177.2-65.2170.8-172.8163.10112.9N20 R21 F22 A104N20-K100 WeakPolarHBondContact O-CG 3.33Å; N20-K100 PolarHBondContact O-N 3.46Å; R21-K100 WeakPolarHBondContact O-CE 3.48Å; F22-K100 HydrophobicContact CD1-CG 4.33Å; F22-K100 HydrophobicContact CD2-CG 3.75Å; F22-K100 HydrophobicContact CE1-CG 4.16Å; F22-K100 HydrophobicContact CE2-CB 4.16Å; F22-K100 HydrophobicContact CE2-CG 3.55Å; F22-K100 HydrophobicContact CG-CG 4.15Å; F22-K100 HydrophobicContact CZ-CB 4.47Å; F22-K100 HydrophobicContact CZ-CG 3.77Å; K100-A104 WeakPolarHBondContact O-CB 3.28Å; K100-A104 PolarHBondContact O-N 3.02Å
101A86.2Confident91.2Very high27 Ų2749.9 Ų49.922%0.22327%0.268CS..Hα-helixtrans-71.5-49.5179.400000110.6N20 N99 T103 A104 E105N20-A101 PolarHBondContact ND2-N 2.84Å; N99-A101 VanDerWaalsContact C-N 3.34Å; N99-A101 PolarHBondContact O-N 3.18Å; N99-A101 WeakPolarHBondContact OD1-CB 3.38Å; N99-A101 PolarHBondContact OD1-N 3.05Å; A101-T103 VanDerWaalsContact C-N 3.27Å; A101-T103 PolarHBondContact O-N 3.13Å; A101-A104 CarbonylContact O-C 3.58Å; A101-A104 WeakPolarHBondContact O-CA 3.36Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 2.62Å; A101-E105 PolarHBondContact O-N 3.44Å
102E89.5Confident90.5Very high123 Ų12350.1 Ų50.158%0.57527%0.27SS*.Hα-helixtrans-59.9-39175.7-60.5169.4174.800111.5N99 A104 E105 K106N99-E102 HydrophobicContact CB-CB 4.08Å; N99-E102 HydrophobicContact CB-CG 3.86Å; N99-E102 VanDerWaalsContact CB-OE2 3.24Å; N99-E102 WeakPolarHBondContact CB-OE2 3.16Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 2.8Å; E102-E105 PolarHBondContact O-N 3.22Å; E102-K106 WeakPolarHBondContact O-CB 3.32Å; E102-K106 PolarHBondContact O-N 3.36Å
103T89.8Confident89.9Confident7 Ų754.3 Ų54.34%0.04329%0.288CS..Hα-helixtrans-63.8-37.3174.6-53.50000111.1F22 L95 N99 A101 K106 H107 V112 W115F22-T103 HydrophobicContact CE2-CG2 4.33Å; L95-T103 HydrophobicContact CD2-CG2 4.43Å; N99-T103 VanDerWaalsContact O-CB 3.31Å; N99-T103 WeakPolarHBondContact O-CB 3.28Å; N99-T103 PolarHBondContact O-N 3.45Å; N99-T103 PolarHBondContact O-OG1 3.28Å; A101-T103 VanDerWaalsContact C-N 3.27Å; A101-T103 PolarHBondContact O-N 3.13Å; T103-K106 PolarHBondContact O-N 3.14Å; T103-H107 WeakPolarHBondContact O-CB 3.44Å; T103-H107 PolarHBondContact O-CD2 2.72Å; T103-H107 PolarHBondContact O-N 3.21Å; T103-V112 HydrophobicContact CG2-CG2 3.75Å; T103-W115 HydrophobicContact CG2-CZ3 4.03Å
104A87.8Confident89.4Confident13 Ų1357.5 Ų57.511%0.10731%0.305CS..Hα-helixtrans-71.6-34.2177.400000112.3K100 A101 E102 G108 E109 V112K100-A104 WeakPolarHBondContact O-CB 3.28Å; K100-A104 PolarHBondContact O-N 3.02Å; A101-A104 CarbonylContact O-C 3.58Å; A101-A104 WeakPolarHBondContact O-CA 3.36Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 2.62Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 2.8Å; A104-G108 CarbonylContact O-C 3.58Å; A104-G108 VanDerWaalsContact O-C 3.29Å; A104-G108 WeakPolarHBondContact O-CA 3.34Å; A104-G108 PolarHBondContact O-N 2.83Å; A104-E109 HydrophobicContact CB-CG 4.28Å; A104-V112 HydrophobicContact CB-CB 4.28Å; A104-V112 HydrophobicContact CB-CG2 3.98Å
105E86.4Confident89Confident161 Ų16157.9 Ų57.975%0.75230%0.3SS*.Hα-helixtrans-64.6-41.2171.9-70.5172.9-172.400111.4A101 E102A101-E105 PolarHBondContact O-N 3.44Å; E102-E105 PolarHBondContact O-N 3.22Å
106K87.3Confident88.3Confident168 Ų16859.2 Ų59.273%0.7330%0.304SS*.Hα-helixtrans-76.9-39.3-178.2-174.3176.5176.6-1760113.9E102 T103E102-K106 WeakPolarHBondContact O-CB 3.32Å; E102-K106 PolarHBondContact O-N 3.36Å; T103-K106 PolarHBondContact O-N 3.14Å
107H86.6Confident87.5Confident86 Ų8660.6 Ų60.640%0.39831%0.309SS..Hα-helixtrans-113.4-5.2-171-62.7-78.7000114T103 Q111 W115T103-H107 WeakPolarHBondContact O-CB 3.44Å; T103-H107 PolarHBondContact O-CD2 2.72Å; T103-H107 PolarHBondContact O-N 3.21Å; H107-Q111 HydrophobicContact CB-CB 4.49Å; H107-Q111 HydrophobicContact CB-CG 4.47Å; H107-Q111 VanDerWaalsContact O-CB 3.31Å; H107-Q111 WeakPolarHBondContact O-CB 3.36Å; H107-W115 HydrophobicContact CB-CH2 4.04Å; H107-W115 HydrophobicContact CB-CZ3 3.95Å; H107-W115 AromaticContact CG-CH2 3.88Å
108G87.5Confident87Confident33 Ų3361.1 Ų61.134%0.3431%0.312SS..  trans86.5144-175.400000113.4A104 A110 Q111 V112A104-G108 CarbonylContact O-C 3.58Å; A104-G108 VanDerWaalsContact O-C 3.29Å; A104-G108 WeakPolarHBondContact O-CA 3.34Å; A104-G108 PolarHBondContact O-N 2.83Å; G108-A110 VanDerWaalsContact C-N 3.28Å; G108-A110 PolarHBondContact O-N 3.04Å; G108-Q111 PolarHBondContact O-N 3.47Å; G108-V112 PolarHBondContact O-N 2.97Å; G108-V112 VanDerWaalsContact O-N 3.17Å
109E83.9Confident86.8Confident115 Ų11558.8 Ų58.854%0.53730%0.298SS..Hα-helixtrans-59.5-36.5179.6-67-167.5153.600112.8A104 V112 K113 A252A104-E109 HydrophobicContact CB-CG 4.28Å; E109-V112 PolarHBondContact O-N 3.49Å; E109-K113 VanDerWaalsContact O-CB 3.31Å; E109-K113 WeakPolarHBondContact O-CB 3.12Å; E109-K113 PolarHBondContact O-N 3.03Å; E109-A252 WeakPolarHBondContact OE1-CB 3.28Å
110A87.1Confident86.7Confident75 Ų7561.9 Ų61.962%0.6232%0.315SS*.Hα-helixtrans-62.1-4517900000111.7G108 K113 I114G108-A110 VanDerWaalsContact C-N 3.28Å; G108-A110 PolarHBondContact O-N 3.04Å; A110-K113 PolarHBondContact O-N 3.33Å; A110-I114 WeakPolarHBondContact O-CG1 3.44Å; A110-I114 PolarHBondContact O-N 3.35Å
111Q87.7Confident86.9Confident67 Ų6763.7 Ų63.731%0.31333%0.327SS..Hα-helixtrans-67-42.5179-172.559.548.200111.6H107 G108 K113 I114 W115H107-Q111 HydrophobicContact CB-CB 4.49Å; H107-Q111 HydrophobicContact CB-CG 4.47Å; H107-Q111 VanDerWaalsContact O-CB 3.31Å; H107-Q111 WeakPolarHBondContact O-CB 3.36Å; G108-Q111 PolarHBondContact O-N 3.47Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 2.95Å; Q111-I114 WeakPolarHBondContact O-CB 3.26Å; Q111-I114 PolarHBondContact O-N 2.94Å; Q111-W115 HydrophobicContact CG-CD2 4.11Å; Q111-W115 HydrophobicContact CG-CE3 4.12Å; Q111-W115 HydrophobicContact CG-CH2 3.61Å; Q111-W115 HydrophobicContact CG-CZ2 3.59Å; Q111-W115 HydrophobicContact CG-CZ3 3.88Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.14Å; Q111-W115 PolarHBondContact O-N 3.14Å
112V84.7Confident87.3Confident4 Ų465 Ų652%0.02433%0.334CS..Hα-helixtrans-64.7-37.4175.5171.50000111.5F22 T103 A104 G108 E109 I114 W115 R116F22-V112 HydrophobicContact CZ-CG1 4.19Å; T103-V112 HydrophobicContact CG2-CG2 3.75Å; A104-V112 HydrophobicContact CB-CB 4.28Å; A104-V112 HydrophobicContact CB-CG2 3.98Å; G108-V112 PolarHBondContact O-N 2.97Å; G108-V112 VanDerWaalsContact O-N 3.17Å; E109-V112 PolarHBondContact O-N 3.49Å; V112-I114 VanDerWaalsContact C-N 3.34Å; V112-W115 HydrophobicContact CG2-CE3 4.25Å; V112-W115 HydrophobicContact CG2-CZ3 4.36Å; V112-W115 PolarHBondContact O-N 3.27Å; V112-R116 HydrophobicContact CG1-CG 4.27Å; V112-R116 VanDerWaalsContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CB 3.41Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 2.82Å
113K83.7Confident87.5Confident110 Ų11059.4 Ų59.448%0.47831%0.308SS..Hα-helixtrans-62.5-42.3173.3-170.5-179.9179.2-173.10110.9E109 A110 Q111 R116 R117E109-K113 VanDerWaalsContact O-CB 3.31Å; E109-K113 WeakPolarHBondContact O-CB 3.12Å; E109-K113 PolarHBondContact O-N 3.03Å; A110-K113 PolarHBondContact O-N 3.33Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 2.95Å; K113-R116 PolarHBondContact O-N 3.31Å; K113-R117 WeakPolarHBondContact O-CB 3.35Å; K113-R117 PolarHBondContact O-N 2.87Å
114I86.6Confident87.8Confident67 Ų6761.7 Ų61.734%0.34432%0.323SS..Hα-helixtrans-58.4-54.6174-69.5166.3000110A110 Q111 V112 R116 R117 S118 T121A110-I114 WeakPolarHBondContact O-CG1 3.44Å; A110-I114 PolarHBondContact O-N 3.35Å; Q111-I114 WeakPolarHBondContact O-CB 3.26Å; Q111-I114 PolarHBondContact O-N 2.94Å; V112-I114 VanDerWaalsContact C-N 3.34Å; I114-R116 PolarHBondContact O-N 3.11Å; I114-R116 VanDerWaalsContact O-N 3.15Å; I114-R117 PolarHBondContact O-N 3.41Å; I114-S118 WeakPolarHBondContact O-CA 3.47Å; I114-S118 WeakPolarHBondContact O-CB 3.35Å; I114-S118 PolarHBondContact O-N 2.96Å; I114-T121 HydrophobicContact CG2-CG2 3.86Å
115W86.9Confident88.2Confident28 Ų2863.8 Ų63.811%0.10634%0.335CS..Hα-helixtrans-61-29.9179.8-67-37.2000113.9R90 L95 T103 H107 Q111 V112 P123 P124R90-W115 VanDerWaalsContact CZ-O 3.22Å; R90-W115 PolarHBondContact NH1-O 3.46Å; R90-W115 PolarHBondContact NH2-O 2.83Å; L95-W115 HydrophobicContact CD1-CB 3.86Å; L95-W115 HydrophobicContact CD1-CD2 3.84Å; L95-W115 HydrophobicContact CD1-CE3 3.72Å; L95-W115 HydrophobicContact CD1-CG 3.94Å; L95-W115 HydrophobicContact CD1-CZ3 4.49Å; L95-W115 HydrophobicContact CD2-CE3 4.13Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; T103-W115 HydrophobicContact CG2-CZ3 4.03Å; H107-W115 HydrophobicContact CB-CH2 4.04Å; H107-W115 HydrophobicContact CB-CZ3 3.95Å; H107-W115 AromaticContact CG-CH2 3.88Å; Q111-W115 HydrophobicContact CG-CD2 4.11Å; Q111-W115 HydrophobicContact CG-CE3 4.12Å; Q111-W115 HydrophobicContact CG-CH2 3.61Å; Q111-W115 HydrophobicContact CG-CZ2 3.59Å; Q111-W115 HydrophobicContact CG-CZ3 3.88Å; Q111-W115 VanDerWaalsContact NE2-NE1 3.14Å; Q111-W115 PolarHBondContact O-N 3.14Å; V112-W115 HydrophobicContact CG2-CE3 4.25Å; V112-W115 HydrophobicContact CG2-CZ3 4.36Å; V112-W115 PolarHBondContact O-N 3.27Å; W115-P123 HydrophobicContact CG-CB 4.47Å; W115-P124 HydrophobicContact CZ2-CG 4.37Å
116R81.6Confident88.8Confident34 Ų3456.4 Ų56.413%0.12830%0.301CS..Hα-helixtrans-83.2-33.9-180-74.3-179.265.3-139.5-1.8114.2F22 V112 K113 I114 Q249F22-R116 HydrophobicContact CE1-CG 3.62Å; F22-R116 HydrophobicContact CZ-CG 4.01Å; V112-R116 HydrophobicContact CG1-CG 4.27Å; V112-R116 VanDerWaalsContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CB 3.41Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 2.82Å; K113-R116 PolarHBondContact O-N 3.31Å; I114-R116 PolarHBondContact O-N 3.11Å; I114-R116 VanDerWaalsContact O-N 3.15Å; R116-Q249 PolarHBondContact NH1-O 2.91Å; R116-Q249 PolarHBondContact NH2-O 2.87Å
117R81.3Confident89.2Confident31 Ų3153.8 Ų53.812%0.11729%0.291CS..Hα-helixtrans-124.8-23.2-166.9-66-168.5169.1-164-1.4114.3K113 I114 Y119 M206 E207 N209K113-R117 WeakPolarHBondContact O-CB 3.35Å; K113-R117 PolarHBondContact O-N 2.87Å; I114-R117 PolarHBondContact O-N 3.41Å; R117-Y119 PolarHBondContact O-N 3.13Å; R117-M206 WeakPolarHBondContact O-CG 3.36Å; R117-E207 IonicContact NH1-OE1 3.67Å; R117-E207 IonicContact NH1-OE2 3.7Å; R117-E207 PolarHBondContact NH1-OE2 3.43Å; R117-N209 PolarHBondContact NH2-OD1 2.93Å; R117-N209 VanDerWaalsContact NH2-OD1 3.17Å
118S86.3Confident89.7Confident15 Ų1556.2 Ų56.211%0.10530%0.303CS..  trans-53.8137.2178.6-178.40000110.8R90 I114 D120 T121R90-S118 PolarHBondContact NH1-O 3.28Å; I114-S118 WeakPolarHBondContact O-CA 3.47Å; I114-S118 WeakPolarHBondContact O-CB 3.35Å; I114-S118 PolarHBondContact O-N 2.96Å; S118-D120 PolarHBondContact OG-OD1 3.26Å; S118-T121 VanDerWaalsContact OG-CB 3.27Å; S118-T121 WeakPolarHBondContact OG-CB 3.36Å; S118-T121 PolarHBondContact OG-N 2.89Å; S118-T121 PolarHBondContact OG-OG1 3.38Å
119Y89.3Confident90.1Very high27 Ų2762.2 Ų62.211%0.10632%0.322CS..SBendtrans-67.9-50.5179.6179.9-111.3000111R117 L156 K157 I160 K195 E202 I205R117-Y119 PolarHBondContact O-N 3.13Å; Y119-L156 HydrophobicContact CD2-CB 4.45Å; Y119-L156 HydrophobicContact CD2-CD2 4.12Å; Y119-L156 HydrophobicContact CD2-CG 4.21Å; Y119-L156 CarbonylContact O-C 3.57Å; Y119-L156 PolarHBondContact O-N 3.43Å; Y119-L156 VanDerWaalsContact O-N 3.13Å; Y119-K157 HydrophobicContact CD1-CB 4.2Å; Y119-K157 HydrophobicContact CE1-CB 3.82Å; Y119-K157 HydrophobicContact CE1-CD 3.93Å; Y119-K157 HydrophobicContact CE1-CG 3.87Å; Y119-K157 HydrophobicContact CE2-CB 4.21Å; Y119-K157 WeakPolarHBondContact O-CB 3.38Å; Y119-K157 PolarHBondContact O-N 3.05Å; Y119-I160 HydrophobicContact CE2-CD1 3.71Å; Y119-K195 HydrophobicContact CE2-CD 3.98Å; Y119-E202 HydrophobicContact CD1-CB 4.22Å; Y119-E202 HydrophobicContact CD1-CG 3.64Å; Y119-E202 WeakPolarHBondContact CD1-OE1 3.38Å; Y119-E202 WeakPolarHBondContact CD1-OE2 3.3Å; Y119-E202 HydrophobicContact CD2-CG 4.45Å; Y119-E202 VanDerWaalsContact CE1-CD 3.46Å; Y119-E202 HydrophobicContact CE1-CG 3.79Å; Y119-E202 WeakPolarHBondContact CE1-OE1 3.38Å; Y119-E202 HydrophobicContact CG-CB 4.18Å; Y119-E202 HydrophobicContact CG-CG 4Å; Y119-I205 HydrophobicContact CD2-CG2 4.18Å
120D92.8Very high90.8Very high94 Ų9458.7 Ų58.750%0.50331%0.305SS..SBendtrans-109-12-167.667-6.4000114.3S118 P122 S155 K157S118-D120 PolarHBondContact OG-OD1 3.26Å; D120-P122 WeakPolarHBondContact O-CD 3.2Å; D120-S155 WeakPolarHBondContact O-CB 3.36Å; D120-K157 HydrophobicContact CB-CD 4.44Å
121T92.3Very high91.2Very high52 Ų5262 Ų6232%0.31931%0.313SS..  trans-90.6110.3-175.3-44.40000110.3R90 I114 S118R90-T121 PolarHBondContact NH2-O 2.87Å; I114-T121 HydrophobicContact CG2-CG2 3.86Å; S118-T121 VanDerWaalsContact OG-CB 3.27Å; S118-T121 WeakPolarHBondContact OG-CB 3.36Å; S118-T121 PolarHBondContact OG-N 2.89Å; S118-T121 PolarHBondContact OG-OG1 3.38Å
122P94.2Very high91.7Very high56 Ų5661.2 Ų61.236%0.36431%0.308SS..PPolyproline II helixtrans-72.8156.9175.331.8-35.2000111.3D120D120-P122 WeakPolarHBondContact O-CD 3.2Å
123P94.8Very high92.3Very high5 Ų562.9 Ų62.93%0.03232%0.315CS..PPolyproline II helixtrans-71.2172.4164.733.6-32.6000110.5Y92 L95 W115 C153 E154Y92-P123 WeakPolarHBondContact O-CB 3.25Å; Y92-P123 VanDerWaalsContact O-CG 3.3Å; Y92-P123 WeakPolarHBondContact O-CG 3.48Å; L95-P123 HydrophobicContact CD1-CB 3.63Å; L95-P123 HydrophobicContact CG-CB 4Å; W115-P123 HydrophobicContact CG-CB 4.47Å; P123-C153 HydrophobicContact CG-CB 3.99Å; P123-E154 WeakPolarHBondContact CD-O 3.44Å
124P95.2Very high92.8Very high55 Ų5563 Ų6336%0.35732%0.32SS..PPolyproline II helixtrans-53.9142.1170.1-25.335000111.9G93 G94 W115G93-P124 CarbonylContact C-O 3.56Å; G93-P124 WeakPolarHBondContact CA-O 3.18Å; G94-P124 PolarHBondContact N-O 2.91Å; W115-P124 HydrophobicContact CZ2-CG 4.37Å
125P97.1Very high93.2Very high56 Ų5664.7 Ų64.736%0.36433%0.33SS..PPolyproline II helixtrans-61.8155.7176.527.2-34.4000111.8G94 S152G94-P125 PolarHBondContact N-O 3.49Å; P125-S152 WeakPolarHBondContact CB-OG 3.49Å
126M97.4Very high93.6Very high6 Ų663.4 Ų63.43%0.0333%0.325CS..  trans-84.1112.6169.4-175.8173.2-6700109.6G93 T96 H130 Y133 I136 S152G93-M126 VanDerWaalsContact O-CE 3.22Å; G93-M126 WeakPolarHBondContact O-CE 3.13Å; T96-M126 HydrophobicContact CG2-CE 4.05Å; T96-M126 WeakPolarHBondContact OG1-CE 3.46Å; M126-H130 HydrophobicContact CG-CB 3.67Å; M126-H130 HydrophobicContact SD-CB 4.47Å; M126-Y133 HydrophobicContact CG-CD2 4.18Å; M126-Y133 HydrophobicContact SD-CD2 4.47Å; M126-I136 HydrophobicContact CE-CD1 3.94Å; M126-I136 HydrophobicContact SD-CD1 4.38Å; M126-S152 WeakPolarHBondContact CB-O 3.46Å; M126-S152 PolarHBondContact N-O 2.98Å
127E96.8Very high94.1Very high114 Ų11462.5 Ų62.553%0.53332%0.324SS..  trans-77.7161.4174.3-52.6-59.9159.500111.7E129 H130 Y133E127-E129 PolarHBondContact O-N 3.24Å; E127-H130 WeakPolarHBondContact O-CB 3.13Å; E127-H130 PolarHBondContact O-N 2.74Å; E127-Y133 WeakPolarHBondContact O-CD2 3.45Å
128E95.9Very high94.8Very high137 Ų13766.8 Ų66.864%0.6435%0.346SS*.THydrogen-bonded Turntrans-61.6-30.9-179.4-64.2-169.1-177.600113.1H130 Y133E128-H130 PolarHBondContact O-N 3.42Å; E128-Y133 HydrophobicContact CB-CD1 4.48Å; E128-Y133 HydrophobicContact CB-CE1 4.36Å; E128-Y133 HydrophobicContact CB-CE2 4.49Å; E128-Y133 HydrophobicContact CG-CE1 4.14Å; E128-Y133 HydrophobicContact CG-CE2 4Å; E128-Y133 WeakPolarHBondContact O-CB 3.25Å
129E96.7Very high95.3Very high159 Ų15968 Ų6874%0.74335%0.351SS*.THydrogen-bonded Turntrans-77.4-5.3178.1-58.676.1-165.800113.1E127 N131E127-E129 PolarHBondContact O-N 3.24Å; E129-N131 PolarHBondContact O-N 3.38Å
130H97.8Very high95.7Very high40 Ų4077.6 Ų77.619%0.18539%0.387CS..SBendtrans-64135.3-179.8-172.3-93.6000110.8T96 M126 E127 E128 F132 Y133T96-H130 PolarHBondContact O-CE1 2.87Å; T96-H130 VanDerWaalsContact O-CE1 3.22Å; T96-H130 PolarHBondContact O-NE2 2.64Å; M126-H130 HydrophobicContact CG-CB 3.67Å; M126-H130 HydrophobicContact SD-CB 4.47Å; E127-H130 WeakPolarHBondContact O-CB 3.13Å; E127-H130 PolarHBondContact O-N 2.74Å; E128-H130 PolarHBondContact O-N 3.42Å; H130-F132 AromaticContact CE1-CD2 3.65Å; H130-F132 PolarHBondContact ND1-N 3.01Å; H130-F132 PolarHBondContact O-N 3.2Å; H130-Y133 WeakPolarHBondContact O-CB 3.43Å; H130-Y133 PolarHBondContact O-N 3.29Å
131N96.9Very high95.9Very high145 Ų14577.1 Ų77.178%0.77538%0.378SS*.THydrogen-bonded Turntrans-52.6-24.2-175-69.4-25.7000115E129E129-N131 PolarHBondContact O-N 3.38Å
132F97.3Very high96.2Very high50 Ų5075.1 Ų75.122%0.21937%0.365CS..THydrogen-bonded Turntrans-109.92.9-179.1-60.6-78.1000114.1W16 F26 H130 N134 N135 I136W16-F132 HydrophobicContact CH2-CD1 4.21Å; W16-F132 HydrophobicContact CH2-CD2 4.38Å; W16-F132 AromaticContact CH2-CE1 3.74Å; W16-F132 HydrophobicContact CH2-CE1 3.74Å; W16-F132 AromaticContact CH2-CE2 3.93Å; W16-F132 HydrophobicContact CH2-CE2 3.93Å; W16-F132 AromaticContact CH2-CZ 3.58Å; W16-F132 HydrophobicContact CH2-CZ 3.58Å; W16-F132 AromaticContact CZ2-CE1 3.81Å; W16-F132 HydrophobicContact CZ2-CE1 3.81Å; W16-F132 HydrophobicContact CZ2-CE2 4.5Å; W16-F132 AromaticContact CZ2-CZ 3.74Å; W16-F132 HydrophobicContact CZ2-CZ 3.74Å; F26-F132 AromaticContact CD2-CD1 3.64Å; F26-F132 HydrophobicContact CD2-CD1 3.64Å; F26-F132 HydrophobicContact CD2-CE1 4.02Å; F26-F132 HydrophobicContact CD2-CG 4.4Å; F26-F132 AromaticContact CE2-CD1 3.7Å; F26-F132 HydrophobicContact CE2-CD1 3.7Å; F26-F132 AromaticContact CE2-CE1 3.76Å; F26-F132 HydrophobicContact CE2-CE1 3.76Å; F26-F132 HydrophobicContact CZ-CE1 4.44Å; H130-F132 AromaticContact CE1-CD2 3.65Å; H130-F132 PolarHBondContact ND1-N 3.01Å; H130-F132 PolarHBondContact O-N 3.2Å; F132-N134 PolarHBondContact O-N 3.23Å; F132-N135 PolarHBondContact O-N 3.27Å; F132-I136 HydrophobicContact CB-CD1 3.92Å; F132-I136 WeakPolarHBondContact O-CG1 3.24Å; F132-I136 PolarHBondContact O-N 2.99Å; F132-I136 VanDerWaalsContact O-N 3.13Å
133Y97.1Very high96.2Very high40 Ų4075.2 Ų75.216%0.15738%0.376CS..Hα-helixtrans-56.6-53.6-176.9179.1-90.3000111.4M126 E127 E128 H130 N135 I136 S137 Q138M126-Y133 HydrophobicContact CG-CD2 4.18Å; M126-Y133 HydrophobicContact SD-CD2 4.47Å; E127-Y133 WeakPolarHBondContact O-CD2 3.45Å; E128-Y133 HydrophobicContact CB-CD1 4.48Å; E128-Y133 HydrophobicContact CB-CE1 4.36Å; E128-Y133 HydrophobicContact CB-CE2 4.49Å; E128-Y133 HydrophobicContact CG-CE1 4.14Å; E128-Y133 HydrophobicContact CG-CE2 4Å; E128-Y133 WeakPolarHBondContact O-CB 3.25Å; H130-Y133 WeakPolarHBondContact O-CB 3.43Å; H130-Y133 PolarHBondContact O-N 3.29Å; Y133-N135 VanDerWaalsContact C-N 3.25Å; Y133-N135 PolarHBondContact O-N 3.27Å; Y133-I136 CarbonylContact O-C 3.29Å; Y133-I136 PolarHBondContact O-N 3.5Å; Y133-I136 VanDerWaalsContact O-N 3.07Å; Y133-S137 WeakPolarHBondContact O-CB 3.37Å; Y133-S137 PolarHBondContact O-N 3.46Å; Y133-Q138 HydrophobicContact CD1-CG 4.36Å; Y133-Q138 HydrophobicContact CE1-CG 3.95Å; Y133-Q138 PolarHBondContact OH-NE2 3.01Å
134N95.1Very high96.2Very high111 Ų11182.8 Ų82.859%0.59442%0.416SS*.Hα-helixtrans-62.1-32.3180-70.1-28.4000113.1F132 I136 Q138F132-N134 PolarHBondContact O-N 3.23Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.27Å; N134-Q138 WeakPolarHBondContact O-CB 3.27Å
135N94.4Very high96.3Very high103 Ų10382 Ų8255%0.55141%0.409SS*.Hα-helixtrans-78.2-13.6179.7-63.779000113.5F132 Y133F132-N135 PolarHBondContact O-N 3.27Å; Y133-N135 VanDerWaalsContact C-N 3.25Å; Y133-N135 PolarHBondContact O-N 3.27Å
136I95.7Very high96.2Very high1 Ų182.5 Ų82.51%0.00541%0.411CS..Hα-helixtrans-116.3-67.9-176.9-63.6170.8000109.3W25 F26 T96 M126 F132 Y133 N134 Q138 D139 Y142W25-I136 HydrophobicContact CB-CG2 3.64Å; W25-I136 HydrophobicContact CE3-CG2 4.32Å; F26-I136 HydrophobicContact CB-CD1 4.09Å; T96-I136 HydrophobicContact CG2-CD1 3.92Å; M126-I136 HydrophobicContact CE-CD1 3.94Å; M126-I136 HydrophobicContact SD-CD1 4.38Å; F132-I136 HydrophobicContact CB-CD1 3.92Å; F132-I136 WeakPolarHBondContact O-CG1 3.24Å; F132-I136 PolarHBondContact O-N 2.99Å; F132-I136 VanDerWaalsContact O-N 3.13Å; Y133-I136 CarbonylContact O-C 3.29Å; Y133-I136 PolarHBondContact O-N 3.5Å; Y133-I136 VanDerWaalsContact O-N 3.07Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.27Å; I136-Q138 VanDerWaalsContact C-N 3.26Å; I136-Q138 PolarHBondContact O-N 2.91Å; I136-D139 PolarHBondContact O-N 2.93Å; I136-Y142 WeakPolarHBondContact O-CD2 3.41Å; I136-Y142 WeakPolarHBondContact O-CE2 3.23Å
137S92.9Very high95.7Very high15 Ų1591.1 Ų91.111%0.10545%0.451CS..THydrogen-bonded Turntrans-69.4-21.5-172.6-50.10000113.5Y133Y133-S137 WeakPolarHBondContact O-CB 3.37Å; Y133-S137 PolarHBondContact O-N 3.46Å
138Q94.1Very high95.4Very high122 Ų12292.5 Ų92.557%0.5746%0.462SS*.THydrogen-bonded Turntrans-108.48.1179-55.7-66.3-4300112.9Y133 N134 I136 R140Y133-Q138 HydrophobicContact CD1-CG 4.36Å; Y133-Q138 HydrophobicContact CE1-CG 3.95Å; Y133-Q138 PolarHBondContact OH-NE2 3.01Å; N134-Q138 WeakPolarHBondContact O-CB 3.27Å; I136-Q138 VanDerWaalsContact C-N 3.26Å; I136-Q138 PolarHBondContact O-N 2.91Å; Q138-R140 PolarHBondContact O-N 2.93Å
139D97.5Very high95.3Very high41 Ų4188.8 Ų88.822%0.21945%0.445CS..  trans-70130.4175.6-173.2-54000110.1I136 R141 Y142I136-D139 PolarHBondContact O-N 2.93Å; D139-R141 HydrophobicContact CB-CG 4.32Å; D139-R141 PolarHBondContact O-N 2.81Å; D139-R141 WeakPolarHBondContact OD1-CB 3.46Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.16Å; D139-R141 IonicContact OD1-CZ 3.87Å; D139-R141 PolarHBondContact OD1-N 2.78Å; D139-R141 IonicContact OD1-NE 3.7Å; D139-R141 PolarHBondContact OD1-NE 2.77Å; D139-R141 IonicContact OD1-NH2 3.27Å; D139-R141 IonicContact OD2-CZ 2.73Å; D139-R141 IonicContact OD2-NE 2.62Å; D139-R141 PolarHBondContact OD2-NE 2.82Å; D139-R141 VanDerWaalsContact OD2-NE 3.08Å; D139-R141 IonicContact OD2-NH2 3.86Å; D139-R141 PolarHBondContact OD2-NH2 3.08Å; D139-Y142 HydrophobicContact CB-CD2 4.13Å; D139-Y142 HydrophobicContact CB-CE2 4.33Å; D139-Y142 PolarHBondContact O-N 3.29Å
140R97.5Very high95.3Very high228 Ų22883.1 Ų83.186%0.8642%0.42SS*.G310 helixtrans-51.4-24.9-178.871178.7-175.885.90.5114.5Q138 Y142 G143Q138-R140 PolarHBondContact O-N 2.93Å; R140-Y142 PolarHBondContact O-N 2.88Å; R140-Y142 VanDerWaalsContact O-N 3.17Å; R140-G143 PolarHBondContact O-N 3.13Å
141R97.7Very high95.2Very high84 Ų8482.6 Ų82.632%0.31742%0.419SS..G310 helixtrans-63.5-16.5177.777.7-173.671.1-176.912.7113D27 V59 D139D27-R141 IonicContact OD1-NH1 3.34Å; D27-R141 IonicContact OD2-CZ 3.61Å; D27-R141 VanDerWaalsContact OD2-CZ 3.3Å; D27-R141 IonicContact OD2-NH1 3.47Å; D27-R141 PolarHBondContact OD2-NH1 3.21Å; D27-R141 IonicContact OD2-NH2 2.85Å; D27-R141 PolarHBondContact OD2-NH2 2.75Å; V59-R141 HydrophobicContact CG2-CG 4.36Å; V59-R141 PolarHBondContact O-NH1 3.34Å; D139-R141 HydrophobicContact CB-CG 4.32Å; D139-R141 PolarHBondContact O-N 2.81Å; D139-R141 WeakPolarHBondContact OD1-CB 3.46Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.16Å; D139-R141 IonicContact OD1-CZ 3.87Å; D139-R141 PolarHBondContact OD1-N 2.78Å; D139-R141 IonicContact OD1-NE 3.7Å; D139-R141 PolarHBondContact OD1-NE 2.77Å; D139-R141 IonicContact OD1-NH2 3.27Å; D139-R141 IonicContact OD2-CZ 2.73Å; D139-R141 IonicContact OD2-NE 2.62Å; D139-R141 PolarHBondContact OD2-NE 2.82Å; D139-R141 VanDerWaalsContact OD2-NE 3.08Å; D139-R141 IonicContact OD2-NH2 3.86Å; D139-R141 PolarHBondContact OD2-NH2 3.08Å
142Y97.7Very high95.2Very high9 Ų978.3 Ų78.34%0.03540%0.401CS..G310 helixtrans-108.96.4175.8-51.3-60.8000112.6W25 V59 W85 N88 I136 D139 R140 D144 L145 L150W25-Y142 AromaticContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE1 3.87Å; W25-Y142 HydrophobicContact CE3-CE2 4.01Å; W25-Y142 AromaticContact CE3-CZ 3.54Å; W25-Y142 HydrophobicContact CH2-CE1 4.34Å; W25-Y142 AromaticContact CZ3-CD1 3.92Å; W25-Y142 HydrophobicContact CZ3-CD1 3.92Å; W25-Y142 AromaticContact CZ3-CE1 3.53Å; W25-Y142 HydrophobicContact CZ3-CE1 3.53Å; W25-Y142 HydrophobicContact CZ3-CE2 4.26Å; W25-Y142 HydrophobicContact CZ3-CG 4.44Å; W25-Y142 AromaticContact CZ3-CZ 3.71Å; V59-Y142 HydrophobicContact CG2-CE1 3.65Å; W85-Y142 HydrophobicContact CB-CD1 4.26Å; W85-Y142 HydrophobicContact CB-CE1 3.96Å; N88-Y142 PolarHBondContact ND2-OH 3.07Å; I136-Y142 WeakPolarHBondContact O-CD2 3.41Å; I136-Y142 WeakPolarHBondContact O-CE2 3.23Å; D139-Y142 HydrophobicContact CB-CD2 4.13Å; D139-Y142 HydrophobicContact CB-CE2 4.33Å; D139-Y142 PolarHBondContact O-N 3.29Å; R140-Y142 PolarHBondContact O-N 2.88Å; R140-Y142 VanDerWaalsContact O-N 3.17Å; Y142-D144 PolarHBondContact O-N 3.27Å; Y142-D144 VanDerWaalsContact O-N 3.16Å; Y142-L145 HydrophobicContact CD1-CD1 3.84Å; Y142-L145 HydrophobicContact CG-CD1 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.39Å; Y142-L145 PolarHBondContact O-N 3.24Å; Y142-L150 HydrophobicContact CG-CD1 4.21Å
143G95.6Very high95.2Very high59 Ų5977.2 Ų77.261%0.60840%0.399SS*.THydrogen-bonded Turntrans-64.7-20.3-173.700000115.1R140R140-G143 PolarHBondContact O-N 3.13Å
144D94.8Very high95.2Very high164 Ų16475.5 Ų75.588%0.87739%0.393SS*.THydrogen-bonded Turntrans-91.8-1.3175.4-60.4-36.7000112.8Y142Y142-D144 PolarHBondContact O-N 3.27Å; Y142-D144 VanDerWaalsContact O-N 3.16Å
145L95.7Very high95.2Very high37 Ų3770.2 Ų70.219%0.19437%0.365CS..  trans-83.9140178-57.9-171.5000110.8W85 Y142 Q149 L150W85-L145 HydrophobicContact CB-CD1 4.44Å; W85-L145 HydrophobicContact CD2-CD1 3.93Å; W85-L145 HydrophobicContact CG-CD1 3.82Å; W85-L145 HydrophobicContact CG-CD2 4.38Å; Y142-L145 HydrophobicContact CD1-CD1 3.84Å; Y142-L145 HydrophobicContact CG-CD1 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.39Å; Y142-L145 PolarHBondContact O-N 3.24Å; L145-Q149 HydrophobicContact CB-CB 4.11Å; L145-Q149 HydrophobicContact CD2-CB 4.42Å; L145-L150 HydrophobicContact CB-CB 4.43Å; L145-L150 HydrophobicContact CD1-CD1 4.48Å
146T94.9Very high95.1Very high67 Ų6765.4 Ų65.441%0.41134%0.339SS..  trans-76163.616947.10000110.7D148 Q149 L150T146-D148 WeakPolarHBondContact CB-OD1 3.27Å; T146-D148 PolarHBondContact O-N 3.23Å; T146-D148 PolarHBondContact OG1-OD1 3.44Å; T146-Q149 WeakPolarHBondContact O-CB 3.47Å; T146-Q149 PolarHBondContact O-N 3.1Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.19Å; T146-Q149 PolarHBondContact OG1-OE1 2.76Å; T146-L150 PolarHBondContact O-N 3.4Å; T146-L150 VanDerWaalsContact O-N 3.11Å
147E87.9Confident95.1Very high187 Ų18770.4 Ų70.487%0.87436%0.36SS*.THydrogen-bonded Turntrans-59.5-35.6179.9-168178.4172.700112.2Q149E147-Q149 VanDerWaalsContact C-N 3.27Å; E147-Q149 PolarHBondContact O-N 3.01Å
148D89.9Confident95.3Very high143 Ų14373 Ų7377%0.76537%0.373SS*.THydrogen-bonded Turntrans-72.5-18.6175.561.1-70.1000113.6T146T146-D148 WeakPolarHBondContact CB-OD1 3.27Å; T146-D148 PolarHBondContact O-N 3.23Å; T146-D148 PolarHBondContact OG1-OD1 3.44Å
149Q94.4Very high95.4Very high60 Ų6067.1 Ų67.128%0.2835%0.346SS..THydrogen-bonded Turntrans-93-20.8178.1-71.3174.2-2100113.5W85 L145 T146 E147 P151W85-Q149 HydrophobicContact CH2-CB 4.42Å; W85-Q149 WeakPolarHBondContact CH2-O 3.41Å; W85-Q149 HydrophobicContact CZ2-CB 4.04Å; W85-Q149 HydrophobicContact CZ2-CG 4.41Å; W85-Q149 WeakPolarHBondContact CZ3-O 3.47Å; L145-Q149 HydrophobicContact CB-CB 4.11Å; L145-Q149 HydrophobicContact CD2-CB 4.42Å; T146-Q149 WeakPolarHBondContact O-CB 3.47Å; T146-Q149 PolarHBondContact O-N 3.1Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.19Å; T146-Q149 PolarHBondContact OG1-OE1 2.76Å; E147-Q149 VanDerWaalsContact C-N 3.27Å; E147-Q149 PolarHBondContact O-N 3.01Å; Q149-P151 WeakPolarHBondContact O-CD 3.37Å
150L95.7Very high95.3Very high40 Ų4065.7 Ų65.721%0.20934%0.338CS..SBendtrans-100.894.3-179.2-177.459.1000110.4W25 Y142 L145 T146W25-L150 HydrophobicContact CE3-CD1 4.29Å; W25-L150 HydrophobicContact CH2-CD1 4.15Å; W25-L150 HydrophobicContact CZ3-CD1 3.46Å; W25-L150 VanDerWaalsContact CZ3-CD1 3.46Å; Y142-L150 HydrophobicContact CG-CD1 4.21Å; L145-L150 HydrophobicContact CB-CB 4.43Å; L145-L150 HydrophobicContact CD1-CD1 4.48Å; T146-L150 PolarHBondContact O-N 3.4Å; T146-L150 VanDerWaalsContact O-N 3.11Å
151P96.8Very high95.3Very high28 Ų2857.9 Ų57.918%0.18232%0.322CS..  trans-72.4136.3-175.429.6-36000112.1W25 H91 Q149 C153 E154W25-P151 HydrophobicContact CH2-CG 3.92Å; W25-P151 HydrophobicContact CZ2-CG 3.74Å; H91-P151 HydrophobicContact CB-CG 4.33Å; H91-P151 PolarHBondContact CD2-O 3.29Å; Q149-P151 WeakPolarHBondContact O-CD 3.37Å; P151-C153 VanDerWaalsContact C-N 3.33Å; P151-E154 HydrophobicContact CB-CG 3.68Å; P151-E154 HydrophobicContact CG-CG 3.69Å
152S96.8Very high95.2Very high56 Ų5654.7 Ų54.739%0.39231%0.31SS..SBendtrans-76.6-21.7167.362.90000112.5H91 G93 P125 M126H91-S152 PolarHBondContact CE1-O 2.95Å; H91-S152 PolarHBondContact ND1-O 2.87Å; G93-S152 WeakPolarHBondContact CA-O 3.17Å; P125-S152 WeakPolarHBondContact CB-OG 3.49Å; M126-S152 WeakPolarHBondContact CB-O 3.46Å; M126-S152 PolarHBondContact N-O 2.98Å
153C96.8Very high95.2Very high27 Ų2754.4 Ų54.418%0.18231%0.309CS..SBendtrans-160.5158.1169.957.10000110.3P123 P151P123-C153 HydrophobicContact CG-CB 3.99Å; P151-C153 VanDerWaalsContact C-N 3.33Å
154E97.1Very high95.2Very high3 Ų353.2 Ų53.21%0.01429%0.289CS..  trans-131139.9176.3-68.6179.1117.300110.8R90 H91 P123 P151 D158 R162R90-E154 HydrophobicContact CG-CB 4.06Å; R90-E154 WeakPolarHBondContact CG-O 3.39Å; R90-E154 PolarHBondContact NE-O 3.06Å; R90-E154 PolarHBondContact NH2-O 3.32Å; H91-E154 HydrophobicContact CB-CB 4.18Å; H91-E154 HydrophobicContact CB-CG 3.83Å; H91-E154 PolarHBondContact N-OE2 3.22Å; H91-E154 PolarHBondContact O-N 3.01Å; P123-E154 WeakPolarHBondContact CD-O 3.44Å; P151-E154 HydrophobicContact CB-CG 3.68Å; P151-E154 HydrophobicContact CG-CG 3.69Å; E154-D158 HydrophobicContact CB-CB 4.12Å; E154-D158 HydrophobicContact CG-CB 4.29Å; E154-R162 WeakPolarHBondContact OE1-CG 3.46Å; E154-R162 IonicContact OE1-CZ 3.73Å; E154-R162 IonicContact OE1-NE 3.55Å; E154-R162 PolarHBondContact OE1-NE 3.49Å; E154-R162 IonicContact OE1-NH2 2.97Å; E154-R162 PolarHBondContact OE1-NH2 3.25Å; E154-R162 IonicContact OE2-CZ 2.81Å; E154-R162 IonicContact OE2-NE 3.79Å; E154-R162 IonicContact OE2-NH2 3.56Å; E154-R162 PolarHBondContact OE2-NH2 2.69Å
155S95.4Very high95.3Very high1 Ų147.5 Ų47.51%0.00726%0.261CS..  trans-74.2173.2152.870.70000111.1D120 K157 D158 T159D120-S155 WeakPolarHBondContact O-CB 3.36Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.35Å; S155-K157 PolarHBondContact OG-N 3.43Å; S155-D158 VanDerWaalsContact CB-OD2 3.25Å; S155-D158 WeakPolarHBondContact CB-OD2 3.42Å; S155-D158 PolarHBondContact N-OD2 2.73Å; S155-D158 PolarHBondContact O-N 3Å; S155-D158 PolarHBondContact OG-N 3.31Å; S155-D158 PolarHBondContact OG-OD2 3.09Å; S155-T159 PolarHBondContact O-N 3.33Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.38Å
156L93.1Very high95.4Very high1 Ų147 Ų471%0.00526%0.257CS..Hα-helixtrans-65.6-35.9170176.161.7000110.3Y119 T159 I160 N188 I205Y119-L156 HydrophobicContact CD2-CB 4.45Å; Y119-L156 HydrophobicContact CD2-CD2 4.12Å; Y119-L156 HydrophobicContact CD2-CG 4.21Å; Y119-L156 CarbonylContact O-C 3.57Å; Y119-L156 PolarHBondContact O-N 3.43Å; Y119-L156 VanDerWaalsContact O-N 3.13Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 3.02Å; L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.89Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CD1 3.13Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 2.93Å; L156-N188 HydrophobicContact CD1-CB 3.9Å; L156-I205 HydrophobicContact CD2-CG1 4.13Å; L156-I205 HydrophobicContact CD2-CG2 4.16Å
157K95.3Very high95.6Very high106 Ų10643.9 Ų43.946%0.46124%0.238SC..Hα-helixtrans-59.4-44.8174-177.2-178.6-179.3179.50111.8Y119 D120 S155 I160 A161Y119-K157 HydrophobicContact CD1-CB 4.2Å; Y119-K157 HydrophobicContact CE1-CB 3.82Å; Y119-K157 HydrophobicContact CE1-CD 3.93Å; Y119-K157 HydrophobicContact CE1-CG 3.87Å; Y119-K157 HydrophobicContact CE2-CB 4.21Å; Y119-K157 WeakPolarHBondContact O-CB 3.38Å; Y119-K157 PolarHBondContact O-N 3.05Å; D120-K157 HydrophobicContact CB-CD 4.44Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 WeakPolarHBondContact OG-CB 3.35Å; S155-K157 PolarHBondContact OG-N 3.43Å; K157-I160 WeakPolarHBondContact O-CB 3.4Å; K157-I160 PolarHBondContact O-N 3.07Å; K157-A161 WeakPolarHBondContact O-CB 3.33Å; K157-A161 PolarHBondContact O-N 3.18Å
158D96.8Very high96Very high69 Ų6938.3 Ų38.337%0.36921%0.214SC..Hα-helixtrans-66.2-45178.6-54.6-40.1000111.1E154 S155 I160 A161 R162E154-D158 HydrophobicContact CB-CB 4.12Å; E154-D158 HydrophobicContact CG-CB 4.29Å; S155-D158 VanDerWaalsContact CB-OD2 3.25Å; S155-D158 WeakPolarHBondContact CB-OD2 3.42Å; S155-D158 PolarHBondContact N-OD2 2.73Å; S155-D158 PolarHBondContact O-N 3Å; S155-D158 PolarHBondContact OG-N 3.31Å; S155-D158 PolarHBondContact OG-OD2 3.09Å; D158-I160 PolarHBondContact O-N 3.13Å; D158-A161 WeakPolarHBondContact O-CB 3.31Å; D158-A161 PolarHBondContact O-N 2.87Å; D158-A161 VanDerWaalsContact O-N 3.07Å; D158-R162 WeakPolarHBondContact O-CG 3.47Å; D158-R162 PolarHBondContact O-N 3.25Å
159T96.6Very high96.4Very high0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-52.9-45.2174.1-56.70000110.6S155 L156 R162 A163 N188S155-T159 PolarHBondContact O-N 3.33Å; S155-T159 VanDerWaalsContact O-N 3.1Å; S155-T159 PolarHBondContact O-OG1 3.38Å; L156-T159 WeakPolarHBondContact O-CB 3.41Å; L156-T159 PolarHBondContact O-N 3.02Å; T159-R162 WeakPolarHBondContact O-CD 3.47Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.3Å; T159-A163 PolarHBondContact O-N 3.02Å; T159-A163 VanDerWaalsContact O-N 3.09Å; T159-N188 HydrophobicContact CG2-CB 4.42Å
160I94.9Very high96.6Very high11 Ų1138.4 Ų38.46%0.05621%0.214CC..Hα-helixtrans-66.8-45.5177.7-70.5166.6000111.1Y119 L156 K157 D158 R162 A163 L164 K195Y119-I160 HydrophobicContact CE2-CD1 3.71Å; L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.89Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CD1 3.13Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 2.93Å; K157-I160 WeakPolarHBondContact O-CB 3.4Å; K157-I160 PolarHBondContact O-N 3.07Å; D158-I160 PolarHBondContact O-N 3.13Å; I160-R162 PolarHBondContact O-N 2.96Å; I160-A163 PolarHBondContact O-N 3.29Å; I160-A163 VanDerWaalsContact O-N 3.12Å; I160-L164 HydrophobicContact CG2-CD1 3.49Å; I160-L164 VanDerWaalsContact CG2-CD1 3.49Å; I160-L164 HydrophobicContact CG2-CG 3.83Å; I160-L164 WeakPolarHBondContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 2.9Å; I160-K195 HydrophobicContact CD1-CD 3.85Å
161A96.4Very high96.7Very high64 Ų6436.5 Ų36.553%0.52920%0.204SC..Hα-helixtrans-59.1-35.3-17800000112.3K157 D158 P165K157-A161 WeakPolarHBondContact O-CB 3.33Å; K157-A161 PolarHBondContact O-N 3.18Å; D158-A161 WeakPolarHBondContact O-CB 3.31Å; D158-A161 PolarHBondContact O-N 2.87Å; D158-A161 VanDerWaalsContact O-N 3.07Å; A161-P165 WeakPolarHBondContact O-CD 3.3Å; A161-P165 WeakPolarHBondContact O-CG 3.33Å
162R97.3Very high96.8Very high17 Ų1735.9 Ų35.96%0.06420%0.199CC..Hα-helixtrans-86.5-23.2174.760.880.6172.5154.1-3.9114.9W85 R86 N88 E89 E154 D158 T159 I160W85-R162 HydrophobicContact CH2-CB 3.8Å; W85-R162 HydrophobicContact CH2-CG 4.18Å; W85-R162 HydrophobicContact CZ3-CB 3.97Å; W85-R162 HydrophobicContact CZ3-CG 3.82Å; R86-R162 VanDerWaalsContact C-NH1 3.34Å; R86-R162 WeakPolarHBondContact CB-O 3.44Å; R86-R162 WeakPolarHBondContact CD-O 3.22Å; R86-R162 WeakPolarHBondContact CG-O 3.41Å; R86-R162 PolarHBondContact NH1-O 3.33Å; R86-R162 PolarHBondContact O-NH1 3.31Å; N88-R162 PolarHBondContact O-NH1 2.92Å; N88-R162 PolarHBondContact O-NH2 2.87Å; E89-R162 PolarHBondContact O-NH2 3.44Å; E154-R162 WeakPolarHBondContact OE1-CG 3.46Å; E154-R162 IonicContact OE1-CZ 3.73Å; E154-R162 IonicContact OE1-NE 3.55Å; E154-R162 PolarHBondContact OE1-NE 3.49Å; E154-R162 IonicContact OE1-NH2 2.97Å; E154-R162 PolarHBondContact OE1-NH2 3.25Å; E154-R162 IonicContact OE2-CZ 2.81Å; E154-R162 IonicContact OE2-NE 3.79Å; E154-R162 IonicContact OE2-NH2 3.56Å; E154-R162 PolarHBondContact OE2-NH2 2.69Å; D158-R162 WeakPolarHBondContact O-CG 3.47Å; D158-R162 PolarHBondContact O-N 3.25Å; T159-R162 WeakPolarHBondContact O-CD 3.47Å; I160-R162 PolarHBondContact O-N 2.96Å
163A97Very high96.9Very high2 Ų236.1 Ų36.12%0.01720%0.199CC..Hα-helixtrans-80.9-38.3178.500000113R86 T159 I160 F166 W167R86-A163 WeakPolarHBondContact O-CA 3.45Å; R86-A163 WeakPolarHBondContact O-CB 3.36Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.3Å; T159-A163 PolarHBondContact O-N 3.02Å; T159-A163 VanDerWaalsContact O-N 3.09Å; I160-A163 PolarHBondContact O-N 3.29Å; I160-A163 VanDerWaalsContact O-N 3.12Å; A163-F166 WeakPolarHBondContact O-CB 2.97Å; A163-F166 PolarHBondContact O-N 2.96Å; A163-W167 PolarHBondContact O-N 2.93Å
164L96Very high96.9Very high35 Ų3537 Ų3718%0.18320%0.201CC..Hα-helixtrans-63.8-37.7-176.1-75.6180000115.1I160 F166 W167 N168 H196I160-L164 HydrophobicContact CG2-CD1 3.49Å; I160-L164 VanDerWaalsContact CG2-CD1 3.49Å; I160-L164 HydrophobicContact CG2-CG 3.83Å; I160-L164 WeakPolarHBondContact O-CB 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.33Å; I160-L164 PolarHBondContact O-N 2.9Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.29Å; L164-W167 WeakPolarHBondContact O-CB 3.41Å; L164-W167 PolarHBondContact O-N 2.96Å; L164-N168 WeakPolarHBondContact O-CB 3.43Å; L164-N168 PolarHBondContact O-N 3.42Å; L164-N168 PolarHBondContact O-ND2 2.78Å; L164-H196 HydrophobicContact CD2-CB 3.62Å
165P96.9Very high97Very high44 Ų4436.9 Ų36.929%0.28620%0.2SC..Hα-helixtrans-56.1-46.1172.2-28.436.3000111.8A161 W167 N168 D169A161-P165 WeakPolarHBondContact O-CD 3.3Å; A161-P165 WeakPolarHBondContact O-CG 3.33Å; P165-W167 PolarHBondContact O-N 3.29Å; P165-N168 PolarHBondContact O-N 3.15Å; P165-D169 VanDerWaalsContact O-CB 3.25Å; P165-D169 WeakPolarHBondContact O-CB 3.45Å; P165-D169 PolarHBondContact O-N 3.32Å
166F97.9Very high97.1Very high25 Ų2542.4 Ų42.411%0.1122%0.224CC..Hα-helixtrans-63.7-40.5176.5-172.6-103000112.8Y56 T84 R86 L87 A163 L164 E170 I171Y56-F166 AromaticContact CD1-CE1 3.59Å; Y56-F166 HydrophobicContact CD1-CE1 3.59Å; Y56-F166 AromaticContact CD1-CZ 3.55Å; Y56-F166 HydrophobicContact CD1-CZ 3.55Å; Y56-F166 HydrophobicContact CE1-CE1 4.07Å; Y56-F166 AromaticContact CE1-CZ 3.79Å; Y56-F166 HydrophobicContact CE1-CZ 3.79Å; Y56-F166 HydrophobicContact CG-CE1 4.37Å; T84-F166 HydrophobicContact CG2-CD1 3.69Å; T84-F166 HydrophobicContact CG2-CD2 3.91Å; T84-F166 HydrophobicContact CG2-CE1 3.44Å; T84-F166 VanDerWaalsContact CG2-CE1 3.44Å; T84-F166 HydrophobicContact CG2-CE2 3.67Å; T84-F166 HydrophobicContact CG2-CG 3.92Å; T84-F166 HydrophobicContact CG2-CZ 3.43Å; T84-F166 VanDerWaalsContact CG2-CZ 3.43Å; R86-F166 HydrophobicContact CB-CB 3.89Å; R86-F166 HydrophobicContact CB-CG 4.33Å; R86-F166 HydrophobicContact CG-CB 4.46Å; L87-F166 HydrophobicContact CD1-CD1 4.3Å; L87-F166 HydrophobicContact CD1-CE1 3.93Å; L87-F166 HydrophobicContact CD2-CD1 4.47Å; L87-F166 HydrophobicContact CG-CD1 4.14Å; L87-F166 HydrophobicContact CG-CE1 4.24Å; A163-F166 WeakPolarHBondContact O-CB 2.97Å; A163-F166 PolarHBondContact O-N 2.96Å; L164-F166 VanDerWaalsContact C-N 3.31Å; L164-F166 PolarHBondContact O-N 3.29Å; F166-E170 HydrophobicContact CD2-CB 3.99Å; F166-E170 HydrophobicContact CD2-CG 3.69Å; F166-E170 HydrophobicContact CE2-CB 3.77Å; F166-E170 HydrophobicContact CE2-CG 3.6Å; F166-E170 HydrophobicContact CG-CB 4.47Å; F166-E170 HydrophobicContact CZ-CB 4.05Å; F166-E170 HydrophobicContact CZ-CG 4.37Å; F166-E170 WeakPolarHBondContact O-CB 3.37Å; F166-E170 PolarHBondContact O-N 3.05Å; F166-I171 HydrophobicContact CD1-CD1 3.72Å; F166-I171 HydrophobicContact CD1-CG1 4.24Å; F166-I171 HydrophobicContact CE1-CD1 3.69Å; F166-I171 HydrophobicContact CE1-CG1 3.96Å; F166-I171 PolarHBondContact O-N 2.8Å
167W97.8Very high97.3Very high3 Ų347.9 Ų47.91%0.01125%0.254CS..Iπ-helixtrans-57.1-50.6173.4167.9-95.9000111.6L6 A163 L164 P165 I171 V172 I175 I183 I193 H196 L197L6-W167 HydrophobicContact CD2-CH2 3.64Å; L6-W167 HydrophobicContact CD2-CZ3 3.96Å; A163-W167 PolarHBondContact O-N 2.93Å; L164-W167 WeakPolarHBondContact O-CB 3.41Å; L164-W167 PolarHBondContact O-N 2.96Å; P165-W167 PolarHBondContact O-N 3.29Å; W167-I171 HydrophobicContact CE3-CB 4.1Å; W167-I171 HydrophobicContact CE3-CD1 4.06Å; W167-I171 HydrophobicContact CE3-CG2 3.74Å; W167-I171 HydrophobicContact CH2-CG2 4.34Å; W167-I171 HydrophobicContact CZ3-CB 4.49Å; W167-I171 HydrophobicContact CZ3-CG2 3.63Å; W167-I171 WeakPolarHBondContact O-CB 3.45Å; W167-I171 PolarHBondContact O-N 3.03Å; W167-V172 HydrophobicContact CD2-CG2 4.27Å; W167-V172 HydrophobicContact CG-CG2 4.35Å; W167-V172 HydrophobicContact CZ2-CG2 4.06Å; W167-V172 WeakPolarHBondContact O-CB 3.44Å; W167-V172 VanDerWaalsContact O-CG2 3.27Å; W167-V172 WeakPolarHBondContact O-CG2 3.34Å; W167-V172 PolarHBondContact O-N 3.3Å; W167-I175 HydrophobicContact CH2-CD1 3.64Å; W167-I175 HydrophobicContact CZ2-CD1 4.28Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; W167-I183 HydrophobicContact CE3-CD1 4.34Å; W167-I183 HydrophobicContact CZ3-CD1 3.99Å; W167-I193 HydrophobicContact CD2-CG2 4.3Å; W167-I193 HydrophobicContact CE3-CD1 4.31Å; W167-I193 HydrophobicContact CE3-CG1 4.36Å; W167-I193 HydrophobicContact CE3-CG2 3.8Å; W167-I193 HydrophobicContact CH2-CG2 4.27Å; W167-I193 HydrophobicContact CZ3-CG2 3.78Å; W167-H196 AromaticContact CD1-CD2 3.87Å; W167-H196 AromaticContact NE1-CD2 3.53Å; W167-H196 AromaticContact NE1-NE2 3.74Å; W167-L197 HydrophobicContact CH2-CD1 4.32Å; W167-L197 HydrophobicContact CH2-CD2 4.05Å; W167-L197 HydrophobicContact CH2-CG 4.49Å; W167-L197 HydrophobicContact CZ2-CD2 3.6Å; W167-L197 HydrophobicContact CZ2-CG 4.26Å
168N97.4Very high97.4Very high70 Ų7045.1 Ų45.137%0.37426%0.255SS..Iπ-helixtrans-71.7-39-176-70.9-35.9000113.7L164 P165 P173L164-N168 WeakPolarHBondContact O-CB 3.43Å; L164-N168 PolarHBondContact O-N 3.42Å; L164-N168 PolarHBondContact O-ND2 2.78Å; P165-N168 PolarHBondContact O-N 3.15Å; N168-P173 WeakPolarHBondContact O-CD 3.38Å
169D98.1Very high97.4Very high110 Ų11045.2 Ų45.259%0.58825%0.252SS*.Iπ-helixtrans-90.1-30.5-169.6-59.1-21.3000112P165 P173P165-D169 VanDerWaalsContact O-CB 3.25Å; P165-D169 WeakPolarHBondContact O-CB 3.45Å; P165-D169 PolarHBondContact O-N 3.32Å; D169-P173 WeakPolarHBondContact O-CG 3.1Å
170E98.3Very high97.5Very high95 Ų9549.4 Ų49.444%0.44427%0.268SS..Iπ-helixtrans-113.3-46.9-174.1-63.2-67.4153.300113Y56 F166 Q174Y56-E170 PolarHBondContact OH-O 3.44Å; F166-E170 HydrophobicContact CD2-CB 3.99Å; F166-E170 HydrophobicContact CD2-CG 3.69Å; F166-E170 HydrophobicContact CE2-CB 3.77Å; F166-E170 HydrophobicContact CE2-CG 3.6Å; F166-E170 HydrophobicContact CG-CB 4.47Å; F166-E170 HydrophobicContact CZ-CB 4.05Å; F166-E170 HydrophobicContact CZ-CG 4.37Å; F166-E170 WeakPolarHBondContact O-CB 3.37Å; F166-E170 PolarHBondContact O-N 3.05Å; E170-Q174 WeakPolarHBondContact O-CG 3.37Å
171I98.4Very high97.7Very high0 Ų048.9 Ų48.90%027%0.265CS..Iπ-helixtrans-82.6-47.8-172.8-65.4163.4000111.7Y56 F166 W167 Q174 I175 V181 I183Y56-I171 HydrophobicContact CD1-CD1 4.49Å; Y56-I171 HydrophobicContact CD1-CG1 4.01Å; Y56-I171 HydrophobicContact CD2-CD1 4.49Å; Y56-I171 HydrophobicContact CD2-CG1 3.9Å; Y56-I171 HydrophobicContact CE1-CG1 3.94Å; Y56-I171 HydrophobicContact CE2-CG1 3.84Å; Y56-I171 HydrophobicContact CG-CD1 4.28Å; Y56-I171 HydrophobicContact CG-CG1 3.97Å; F166-I171 HydrophobicContact CD1-CD1 3.72Å; F166-I171 HydrophobicContact CD1-CG1 4.24Å; F166-I171 HydrophobicContact CE1-CD1 3.69Å; F166-I171 HydrophobicContact CE1-CG1 3.96Å; F166-I171 PolarHBondContact O-N 2.8Å; W167-I171 HydrophobicContact CE3-CB 4.1Å; W167-I171 HydrophobicContact CE3-CD1 4.06Å; W167-I171 HydrophobicContact CE3-CG2 3.74Å; W167-I171 HydrophobicContact CH2-CG2 4.34Å; W167-I171 HydrophobicContact CZ3-CB 4.49Å; W167-I171 HydrophobicContact CZ3-CG2 3.63Å; W167-I171 WeakPolarHBondContact O-CB 3.45Å; W167-I171 PolarHBondContact O-N 3.03Å; I171-Q174 WeakPolarHBondContact O-CB 3.27Å; I171-Q174 PolarHBondContact O-N 2.65Å; I171-I175 HydrophobicContact CG2-CD1 3.78Å; I171-I175 HydrophobicContact CG2-CG1 4.22Å; I171-I175 PolarHBondContact O-N 3.19Å; I171-I175 VanDerWaalsContact O-N 3.09Å; I171-V181 HydrophobicContact CG2-CG1 4.27Å; I171-I183 HydrophobicContact CD1-CD1 3.78Å; I171-I183 HydrophobicContact CG2-CD1 4.19Å
172V98.1Very high97.8Very high15 Ų1545.9 Ų45.99%0.09124%0.24CC..Hα-helixtrans-55.1-43.7-178.4157.50000112.7W167 Q174 I175 K176 L224W167-V172 HydrophobicContact CD2-CG2 4.27Å; W167-V172 HydrophobicContact CG-CG2 4.35Å; W167-V172 HydrophobicContact CZ2-CG2 4.06Å; W167-V172 WeakPolarHBondContact O-CB 3.44Å; W167-V172 VanDerWaalsContact O-CG2 3.27Å; W167-V172 WeakPolarHBondContact O-CG2 3.34Å; W167-V172 PolarHBondContact O-N 3.3Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 2.97Å; V172-I175 PolarHBondContact O-N 2.84Å; V172-K176 HydrophobicContact CG1-CD 4.14Å; V172-K176 PolarHBondContact O-N 3.17Å; V172-L224 HydrophobicContact CB-CD1 4.03Å; V172-L224 HydrophobicContact CG1-CD1 3.61Å; V172-L224 HydrophobicContact CG2-CD1 3.62Å
173P98.4Very high97.9Very high61 Ų6145 Ų4540%0.39624%0.237SC..Hα-helixtrans-59.8-40.1175.4-27.137.5000113N168 D169 K176 D177N168-P173 WeakPolarHBondContact O-CD 3.38Å; D169-P173 WeakPolarHBondContact O-CG 3.1Å; P173-K176 PolarHBondContact O-N 3.27Å; P173-D177 WeakPolarHBondContact O-CB 3.43Å; P173-D177 PolarHBondContact O-N 2.98Å
174Q98.6Very high98Very high46 Ų4645 Ų4522%0.21524%0.236CC..Hα-helixtrans-64.2-43.5176.8-55.3-52.1-50.100111.7V54 Y56 E170 I171 V172 K176 D177 G178 K179 V181V54-Q174 HydrophobicContact CG1-CB 4.19Å; V54-Q174 HydrophobicContact CG1-CG 4.27Å; Y56-Q174 WeakPolarHBondContact OH-CG 3.38Å; E170-Q174 WeakPolarHBondContact O-CG 3.37Å; I171-Q174 WeakPolarHBondContact O-CB 3.27Å; I171-Q174 PolarHBondContact O-N 2.65Å; V172-Q174 VanDerWaalsContact C-N 3.33Å; V172-Q174 PolarHBondContact O-N 2.97Å; Q174-K176 VanDerWaalsContact C-N 3.33Å; Q174-K176 PolarHBondContact O-N 2.97Å; Q174-D177 WeakPolarHBondContact O-CB 3.04Å; Q174-D177 PolarHBondContact O-N 2.96Å; Q174-G178 PolarHBondContact O-N 3.5Å; Q174-K179 HydrophobicContact CB-CB 4.34Å; Q174-K179 HydrophobicContact CB-CD 4.23Å; Q174-K179 WeakPolarHBondContact O-CB 3.45Å; Q174-K179 PolarHBondContact O-N 3.41Å; Q174-K179 VanDerWaalsContact O-N 3.09Å; Q174-K179 VanDerWaalsContact OE1-CD 3.24Å; Q174-K179 VanDerWaalsContact OE1-CE 3.32Å; Q174-V181 HydrophobicContact CB-CG2 4.24Å
175I98.2Very high98.1Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-61.6-44.9177.9-60.8173000109.9Y4 L6 W167 I171 V172 D177 G178 V181 L224Y4-I175 HydrophobicContact CD1-CG2 4.17Å; Y4-I175 WeakPolarHBondContact CD1-O 3.49Å; Y4-I175 HydrophobicContact CD2-CG2 4Å; Y4-I175 WeakPolarHBondContact CE1-O 3.33Å; Y4-I175 HydrophobicContact CG-CG2 3.67Å; L6-I175 HydrophobicContact CD1-CD1 4.29Å; W167-I175 HydrophobicContact CH2-CD1 3.64Å; W167-I175 HydrophobicContact CZ2-CD1 4.28Å; W167-I175 HydrophobicContact CZ3-CD1 4.17Å; I171-I175 HydrophobicContact CG2-CD1 3.78Å; I171-I175 HydrophobicContact CG2-CG1 4.22Å; I171-I175 PolarHBondContact O-N 3.19Å; I171-I175 VanDerWaalsContact O-N 3.09Å; V172-I175 PolarHBondContact O-N 2.84Å; I175-D177 VanDerWaalsContact C-N 3.28Å; I175-D177 PolarHBondContact O-N 3.44Å; I175-G178 WeakPolarHBondContact O-CA 3.42Å; I175-G178 PolarHBondContact O-N 3.03Å; I175-V181 HydrophobicContact CG1-CB 4.34Å; I175-V181 HydrophobicContact CG1-CG2 3.68Å; I175-L224 HydrophobicContact CB-CD2 4.37Å; I175-L224 HydrophobicContact CG2-CD2 3.59Å
176K97.4Very high98.2Very high116 Ų11641.2 Ų41.250%0.50421%0.214SC..Hα-helixtrans-66.7-27.9179.3-75.8-176.3174.3178.50113.6V172 P173 Q174 G178 L224V172-K176 HydrophobicContact CG1-CD 4.14Å; V172-K176 PolarHBondContact O-N 3.17Å; P173-K176 PolarHBondContact O-N 3.27Å; Q174-K176 VanDerWaalsContact C-N 3.33Å; Q174-K176 PolarHBondContact O-N 2.97Å; K176-G178 PolarHBondContact O-N 3.2Å; K176-L224 HydrophobicContact CG-CD1 4.39Å; K176-L224 HydrophobicContact CG-CD2 4.45Å
177D97.5Very high98Very high117 Ų11740.4 Ų40.463%0.62621%0.212SC*.THydrogen-bonded Turntrans-72.5-1.4170.2-165.149.5000112.8P173 Q174 I175 K179P173-D177 WeakPolarHBondContact O-CB 3.43Å; P173-D177 PolarHBondContact O-N 2.98Å; Q174-D177 WeakPolarHBondContact O-CB 3.04Å; Q174-D177 PolarHBondContact O-N 2.96Å; I175-D177 VanDerWaalsContact C-N 3.28Å; I175-D177 PolarHBondContact O-N 3.44Å; D177-K179 WeakPolarHBondContact OD2-CE 3.13Å
178G96.8Very high97.8Very high47 Ų4740.6 Ų40.649%0.48521%0.214SC..THydrogen-bonded Turntrans86.76.5177.300000114.3Q174 I175 K176Q174-G178 PolarHBondContact O-N 3.5Å; I175-G178 WeakPolarHBondContact O-CA 3.42Å; I175-G178 PolarHBondContact O-N 3.03Å; K176-G178 PolarHBondContact O-N 3.2Å
179K98.3Very high97.7Very high72 Ų7237.3 Ų37.331%0.31320%0.196SC..  trans-70.8141.2177.6-63.4-173-173.1175.50111.6D53 V54 Q174 D177 V181D53-K179 HydrophobicContact CB-CB 4.03Å; D53-K179 HydrophobicContact CB-CD 4.44Å; D53-K179 HydrophobicContact CB-CG 4.2Å; V54-K179 HydrophobicContact CG1-CB 4.37Å; V54-K179 HydrophobicContact CG1-CD 4.33Å; Q174-K179 HydrophobicContact CB-CB 4.34Å; Q174-K179 HydrophobicContact CB-CD 4.23Å; Q174-K179 WeakPolarHBondContact O-CB 3.45Å; Q174-K179 PolarHBondContact O-N 3.41Å; Q174-K179 VanDerWaalsContact O-N 3.09Å; Q174-K179 VanDerWaalsContact OE1-CD 3.24Å; Q174-K179 VanDerWaalsContact OE1-CE 3.32Å; D177-K179 WeakPolarHBondContact OD2-CE 3.13Å; K179-V181 PolarHBondContact O-N 3.19Å
180R98.4Very high97.6Very high88 Ų8832 Ų3233%0.33217%0.168SC..  trans-84.9110.2173.8-61164.8-63.9178.79.9108.3E51 F52 D53E51-R180 VanDerWaalsContact CB-CZ 3.46Å; E51-R180 WeakPolarHBondContact O-CB 3.44Å; E51-R180 VanDerWaalsContact O-CD 3.27Å; E51-R180 WeakPolarHBondContact O-CD 3.37Å; E51-R180 PolarHBondContact O-NE 3.07Å; E51-R180 IonicContact OE2-CZ 2.99Å; E51-R180 IonicContact OE2-NH1 2.88Å; E51-R180 PolarHBondContact OE2-NH1 2.99Å; E51-R180 IonicContact OE2-NH2 3.81Å; E51-R180 PolarHBondContact OE2-NH2 3.13Å; F52-R180 WeakPolarHBondContact CA-O 3.22Å; F52-R180 HydrophobicContact CD1-CB 4.43Å; D53-R180 PolarHBondContact N-O 3.47Å; D53-R180 IonicContact OD1-CZ 3.08Å; D53-R180 IonicContact OD1-NE 2.82Å; D53-R180 IonicContact OD1-NH2 3.3Å; D53-R180 PolarHBondContact OD1-NH2 3.11Å; D53-R180 WeakPolarHBondContact OD2-CB 3.14Å; D53-R180 IonicContact OD2-CZ 3.01Å; D53-R180 PolarHBondContact OD2-N 3.34Å; D53-R180 IonicContact OD2-NE 3.95Å; D53-R180 PolarHBondContact OD2-NE 2.97Å; D53-R180 IonicContact OD2-NH2 3.34Å
181V98.8Very high97.4Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-101.1133.8-171.2-178.50000111.1L6 V7 V54 Y56 I171 Q174 I175 K179 I183L6-V181 HydrophobicContact CD1-CB 3.93Å; L6-V181 HydrophobicContact CD1-CG1 4.05Å; V7-V181 PolarHBondContact N-O 3.24Å; V54-V181 HydrophobicContact CG1-CG2 3.8Å; Y56-V181 HydrophobicContact CD2-CG1 3.63Å; Y56-V181 HydrophobicContact CE2-CG1 3.81Å; I171-V181 HydrophobicContact CG2-CG1 4.27Å; Q174-V181 HydrophobicContact CB-CG2 4.24Å; I175-V181 HydrophobicContact CG1-CB 4.34Å; I175-V181 HydrophobicContact CG1-CG2 3.68Å; K179-V181 PolarHBondContact O-N 3.19Å; V181-I183 HydrophobicContact CG1-CD1 4.44Å; V181-I183 HydrophobicContact CG1-CG1 3.92Å
182L98.9Very high97.1Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-111.6127.7168.1175.461.2000110.5V7 I9 F52 V54 C55 Y56 L67 V70 L71V7-L182 HydrophobicContact CB-CD1 3.92Å; V7-L182 HydrophobicContact CG1-CD1 3.63Å; V7-L182 CarbonylContact O-C 3.57Å; V7-L182 WeakPolarHBondContact O-CA 3.07Å; I9-L182 HydrophobicContact CG2-CD1 4.16Å; F52-L182 HydrophobicContact CD1-CB 3.66Å; F52-L182 HydrophobicContact CD2-CB 4.29Å; F52-L182 HydrophobicContact CD2-CD2 4.2Å; F52-L182 HydrophobicContact CE1-CB 3.8Å; F52-L182 HydrophobicContact CE1-CD1 4.44Å; F52-L182 HydrophobicContact CE2-CB 4.42Å; F52-L182 HydrophobicContact CE2-CD2 4.09Å; F52-L182 HydrophobicContact CG-CB 3.9Å; F52-L182 HydrophobicContact CZ-CB 4.17Å; F52-L182 HydrophobicContact CZ-CD1 4.22Å; F52-L182 HydrophobicContact CZ-CD2 4.4Å; F52-L182 HydrophobicContact CZ-CG 4.5Å; V54-L182 PolarHBondContact O-N 3.2Å; C55-L182 CarbonylContact C-O 3.59Å; C55-L182 VanDerWaalsContact CA-O 3.27Å; C55-L182 WeakPolarHBondContact CA-O 3.42Å; Y56-L182 PolarHBondContact N-O 3.29Å; L67-L182 HydrophobicContact CD1-CD2 3.51Å; L67-L182 HydrophobicContact CD1-CG 4.03Å; V70-L182 HydrophobicContact CG1-CD2 3.86Å; L71-L182 HydrophobicContact CD2-CD2 4.38Å
183I98.9Very high96.9Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-118.8113.1176.2-49.8-176.2000110L6 V7 L8 I9 Y56 L87 W167 I171 V181 A185 L190 I193L6-I183 HydrophobicContact CD1-CD1 4.05Å; L6-I183 HydrophobicContact CD1-CG1 4.2Å; V7-I183 PolarHBondContact O-N 3.48Å; L8-I183 CarbonylContact C-O 3.53Å; L8-I183 WeakPolarHBondContact CA-O 2.96Å; L8-I183 HydrophobicContact CD2-CB 3.74Å; L8-I183 HydrophobicContact CD2-CD1 3.66Å; L8-I183 HydrophobicContact CD2-CG1 3.9Å; I9-I183 PolarHBondContact N-O 2.87Å; Y56-I183 WeakPolarHBondContact O-CA 3.41Å; L87-I183 HydrophobicContact CD1-CG2 4.11Å; W167-I183 HydrophobicContact CE3-CD1 4.34Å; W167-I183 HydrophobicContact CZ3-CD1 3.99Å; I171-I183 HydrophobicContact CD1-CD1 3.78Å; I171-I183 HydrophobicContact CG2-CD1 4.19Å; V181-I183 HydrophobicContact CG1-CD1 4.44Å; V181-I183 HydrophobicContact CG1-CG1 3.92Å; I183-A185 HydrophobicContact CG2-CB 4.28Å; I183-L190 HydrophobicContact CG2-CD2 4.19Å; I183-I193 HydrophobicContact CD1-CD1 4.4Å
184A98.9Very high96.7Very high0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-101.3109.7172.500000110.4I9 Y56 T57 L67I9-A184 HydrophobicContact CG2-CB 3.68Å; I9-A184 CarbonylContact O-C 3.56Å; I9-A184 WeakPolarHBondContact O-CA 3.24Å; Y56-A184 PolarHBondContact O-N 3.27Å; T57-A184 WeakPolarHBondContact CA-O 3Å; T57-A184 VanDerWaalsContact CB-O 3.26Å; T57-A184 WeakPolarHBondContact CB-O 3.5Å; T57-A184 PolarHBondContact OG1-O 3.05Å; L67-A184 HydrophobicContact CB-CB 3.72Å; L67-A184 HydrophobicContact CD1-CB 4.21Å; L67-A184 HydrophobicContact CG-CB 4.41Å
185A98.6Very high96.5Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-145.6-145.8-174.900000112.1I9 H11 L87 I183 L190I9-A185 PolarHBondContact O-N 3.38Å; H11-A185 PolarHBondContact CD2-O 2.92Å; H11-A185 PolarHBondContact N-O 2.79Å; L87-A185 HydrophobicContact CB-CB 4.49Å; I183-A185 HydrophobicContact CG2-CB 4.28Å; A185-L190 HydrophobicContact CB-CD1 4.46Å; A185-L190 HydrophobicContact CB-CD2 3.83Å; A185-L190 HydrophobicContact CB-CG 3.93Å
186H97.9Very high96.2Very high0 Ų028.3 Ų28.30%014%0.143CC..  trans-123.1171.4-167.8-54.4-90.4000112.1H11 S58 L60 R62 L87 E89 N188 S189 L190H11-H186 AromaticContact CD2-CE1 3.65Å; H11-H186 AromaticContact CD2-CG 3.78Å; H11-H186 AromaticContact CD2-ND1 3Å; H11-H186 PolarHBondContact CD2-ND1 3.27Å; H11-H186 AromaticContact NE2-CE1 3.89Å; H11-H186 AromaticContact NE2-CG 3.99Å; H11-H186 AromaticContact NE2-ND1 3.05Å; H11-H186 PolarHBondContact NE2-ND1 2.73Å; S58-H186 WeakPolarHBondContact CB-NE2 3.46Å; S58-H186 PolarHBondContact OG-NE2 3.2Å; L60-H186 WeakPolarHBondContact CD1-NE2 3.48Å; R62-H186 PolarHBondContact NE-CE1 3.24Å; L87-H186 PolarHBondContact O-CD2 3.1Å; L87-H186 VanDerWaalsContact O-CD2 3.31Å; E89-H186 HydrophobicContact CB-CB 3.68Å; E89-H186 HydrophobicContact CG-CB 4.11Å; E89-H186 PolarHBondContact N-CD2 2.91Å; E89-H186 WeakPolarHBondContact OE2-CB 3.36Å; H186-N188 PolarHBondContact O-N 3.08Å; H186-S189 PolarHBondContact N-OG 3.31Å; H186-L190 VanDerWaalsContact O-CB 3.25Å; H186-L190 WeakPolarHBondContact O-CB 3.48Å; H186-L190 VanDerWaalsContact O-CG 3.24Å; H186-L190 WeakPolarHBondContact O-CG 3.33Å; H186-L190 PolarHBondContact O-N 3.17Å
187G93.8Very high96Very high8 Ų823.4 Ų23.48%0.08212%0.122CC..Hα-helixtrans-57.7-54.7-175.400000112.4E89 R191E89-G187 PolarHBondContact OE2-N 2.91Å; G187-R191 WeakPolarHBondContact O-CB 3.2Å; G187-R191 WeakPolarHBondContact O-CD 3.31Å; G187-R191 WeakPolarHBondContact O-CG 3.4Å; G187-R191 PolarHBondContact O-N 3.21Å
188N93.3Very high95.8Very high8 Ų821.3 Ų21.34%0.04311%0.109CC..Hα-helixtrans-79.8-32.4-173.7-59.6-66.5000113.5E89 R90 Y92 L156 T159 H186 R191 G192E89-N188 WeakPolarHBondContact OE1-CB 3.23Å; E89-N188 PolarHBondContact OE1-N 2.86Å; E89-N188 PolarHBondContact OE1-ND2 2.71Å; R90-N188 HydrophobicContact CB-CB 3.87Å; Y92-N188 PolarHBondContact OH-ND2 3.02Å; Y92-N188 VanDerWaalsContact OH-ND2 3.13Å; L156-N188 HydrophobicContact CD1-CB 3.9Å; T159-N188 HydrophobicContact CG2-CB 4.42Å; H186-N188 PolarHBondContact O-N 3.08Å; N188-R191 PolarHBondContact O-N 3.12Å; N188-R191 PolarHBondContact OD1-NH1 3.25Å; N188-G192 PolarHBondContact O-N 3.47Å
189S95.5Very high95.6Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-66.4-42174.752.40000111.9L87 N88 H186 G192 I193L87-S189 WeakPolarHBondContact O-CB 3.27Å; L87-S189 PolarHBondContact O-OG 3.07Å; N88-S189 WeakPolarHBondContact O-CB 3.47Å; N88-S189 PolarHBondContact O-OG 2.86Å; H186-S189 PolarHBondContact N-OG 3.31Å; S189-G192 PolarHBondContact O-N 2.87Å; S189-I193 PolarHBondContact O-N 3.01Å
190L96.8Very high95.4Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-68.4-39.4174.3-67.6-179.1000112.7L8 R10 I183 A185 H186 G192 I193 V194 L210L8-L190 HydrophobicContact CB-CD1 4.43Å; L8-L190 HydrophobicContact CB-CD2 4.12Å; L8-L190 HydrophobicContact CD1-CD2 4.39Å; L8-L190 HydrophobicContact CD2-CD2 4.3Å; R10-L190 HydrophobicContact CB-CD1 4.06Å; I183-L190 HydrophobicContact CG2-CD2 4.19Å; A185-L190 HydrophobicContact CB-CD1 4.46Å; A185-L190 HydrophobicContact CB-CD2 3.83Å; A185-L190 HydrophobicContact CB-CG 3.93Å; H186-L190 VanDerWaalsContact O-CB 3.25Å; H186-L190 WeakPolarHBondContact O-CB 3.48Å; H186-L190 VanDerWaalsContact O-CG 3.24Å; H186-L190 WeakPolarHBondContact O-CG 3.33Å; H186-L190 PolarHBondContact O-N 3.17Å; L190-G192 PolarHBondContact O-N 3.28Å; L190-I193 HydrophobicContact CD2-CD1 4.27Å; L190-I193 PolarHBondContact O-N 3.2Å; L190-I193 VanDerWaalsContact O-N 3.11Å; L190-V194 WeakPolarHBondContact O-CG2 3.16Å; L190-V194 PolarHBondContact O-N 2.73Å; L190-L210 HydrophobicContact CB-CD1 3.52Å
191R93.2Very high95.1Very high14 Ų1418.7 Ų18.75%0.05311%0.113CC..Hα-helixtrans-53.8-37.6170.4-79.4170.385.6-176.219.7111.3G187 N188 V194 K195 I205 M206 L208 L210G187-R191 WeakPolarHBondContact O-CB 3.2Å; G187-R191 WeakPolarHBondContact O-CD 3.31Å; G187-R191 WeakPolarHBondContact O-CG 3.4Å; G187-R191 PolarHBondContact O-N 3.21Å; N188-R191 PolarHBondContact O-N 3.12Å; N188-R191 PolarHBondContact OD1-NH1 3.25Å; R191-V194 PolarHBondContact O-N 3.4Å; R191-K195 WeakPolarHBondContact O-CB 3.37Å; R191-K195 PolarHBondContact O-N 3.03Å; R191-I205 HydrophobicContact CB-CD1 3.86Å; R191-I205 HydrophobicContact CB-CG1 4.3Å; R191-I205 HydrophobicContact CG-CD1 4.27Å; R191-I205 PolarHBondContact NE-O 3.47Å; R191-I205 PolarHBondContact NH2-O 3.41Å; R191-I205 VanDerWaalsContact O-CD1 3.28Å; R191-I205 WeakPolarHBondContact O-CD1 3.35Å; R191-M206 VanDerWaalsContact NH2-CA 3.35Å; R191-M206 PolarHBondContact NH2-O 3.32Å; R191-L208 HydrophobicContact CG-CD2 4.18Å; R191-L208 HydrophobicContact CG-CG 4.45Å; R191-L208 VanDerWaalsContact CZ-O 3.25Å; R191-L208 PolarHBondContact NE-O 3.48Å; R191-L208 PolarHBondContact NH2-O 2.98Å; R191-L210 HydrophobicContact CG-CD1 4.02Å; R191-L210 HydrophobicContact CG-CG 4.17Å
192G92Very high94.7Very high1 Ų122.7 Ų22.71%0.0113%0.132CC..Hα-helixtrans-61.7-47.2175.200000114.6N188 S189 L190 K195 H196N188-G192 PolarHBondContact O-N 3.47Å; S189-G192 PolarHBondContact O-N 2.87Å; L190-G192 PolarHBondContact O-N 3.28Å; G192-K195 PolarHBondContact O-N 3.39Å; G192-H196 PolarHBondContact O-N 2.89Å
193I94.7Very high94.2Very high1 Ų128.6 Ų28.61%0.00516%0.159CC..Hα-helixtrans-62.9-46.3175.6-65.4169.8000110.2L8 L87 W167 I183 S189 L190 K195 H196 L197L8-I193 HydrophobicContact CD1-CG2 4.31Å; L87-I193 HydrophobicContact CD2-CD1 4.09Å; W167-I193 HydrophobicContact CD2-CG2 4.3Å; W167-I193 HydrophobicContact CE3-CD1 4.31Å; W167-I193 HydrophobicContact CE3-CG1 4.36Å; W167-I193 HydrophobicContact CE3-CG2 3.8Å; W167-I193 HydrophobicContact CH2-CG2 4.27Å; W167-I193 HydrophobicContact CZ3-CG2 3.78Å; I183-I193 HydrophobicContact CD1-CD1 4.4Å; S189-I193 PolarHBondContact O-N 3.01Å; L190-I193 HydrophobicContact CD2-CD1 4.27Å; L190-I193 PolarHBondContact O-N 3.2Å; L190-I193 VanDerWaalsContact O-N 3.11Å; I193-K195 PolarHBondContact O-N 3.46Å; I193-H196 WeakPolarHBondContact O-CB 3.5Å; I193-H196 PolarHBondContact O-N 3.34Å; I193-H196 VanDerWaalsContact O-N 3.16Å; I193-L197 HydrophobicContact CG2-CD1 3.86Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.17Å
194V95.2Very high93.8Very high0 Ų030.7 Ų30.70%018%0.176CC..Hα-helixtrans-60.4-45.4178.2171.10000111.5L8 L190 R191 H196 L197 E198 M200 L208 Y218 M230L8-V194 HydrophobicContact CD1-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CG2 3.16Å; L190-V194 PolarHBondContact O-N 2.73Å; R191-V194 PolarHBondContact O-N 3.4Å; V194-H196 PolarHBondContact O-N 3.32Å; V194-L197 PolarHBondContact O-N 3.22Å; V194-E198 WeakPolarHBondContact O-CB 3.35Å; V194-E198 PolarHBondContact O-N 3.03Å; V194-M200 HydrophobicContact CG1-SD 3.92Å; V194-L208 HydrophobicContact CB-CD2 4.06Å; V194-L208 HydrophobicContact CG1-CD2 3.49Å; V194-L208 VanDerWaalsContact CG1-CD2 3.49Å; V194-Y218 VanDerWaalsContact CG1-OH 3.32Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.38Å; V194-Y218 HydrophobicContact CG2-CE2 4.21Å; V194-M230 HydrophobicContact CG1-CE 3.73Å
195K93.8Very high93.3Very high37 Ų3730.7 Ų30.716%0.16118%0.176CC..Hα-helixtrans-54.4-42.7176-170.8-166.5-174-58.30111.2Y119 I160 R191 G192 I193 G199 M200 I205Y119-K195 HydrophobicContact CE2-CD 3.98Å; I160-K195 HydrophobicContact CD1-CD 3.85Å; R191-K195 WeakPolarHBondContact O-CB 3.37Å; R191-K195 PolarHBondContact O-N 3.03Å; G192-K195 PolarHBondContact O-N 3.39Å; I193-K195 PolarHBondContact O-N 3.46Å; K195-G199 WeakPolarHBondContact O-CA 3.47Å; K195-G199 PolarHBondContact O-N 3.32Å; K195-M200 HydrophobicContact CG-CB 4.02Å; K195-M200 PolarHBondContact NZ-O 3.17Å; K195-M200 PolarHBondContact O-N 2.84Å; K195-I205 HydrophobicContact CB-CB 4.44Å; K195-I205 HydrophobicContact CB-CD1 3.89Å; K195-I205 HydrophobicContact CB-CG1 4.01Å; K195-I205 HydrophobicContact CD-CB 4.3Å; K195-I205 HydrophobicContact CD-CG1 4.37Å; K195-I205 HydrophobicContact CD-CG2 4.09Å; K195-I205 HydrophobicContact CG-CB 4.14Å; K195-I205 HydrophobicContact CG-CD1 4.5Å; K195-I205 HydrophobicContact CG-CG1 4.22Å; K195-I205 HydrophobicContact CG-CG2 4.45Å
196H92.7Very high92.7Very high86 Ų8633.3 Ų33.340%0.39819%0.19SC..Hα-helixtrans-71.1-46.6-179.6177.574.7000112.4L164 W167 G192 I193 V194 G199L164-H196 HydrophobicContact CD2-CB 3.62Å; W167-H196 AromaticContact CD1-CD2 3.87Å; W167-H196 AromaticContact NE1-CD2 3.53Å; W167-H196 AromaticContact NE1-NE2 3.74Å; G192-H196 PolarHBondContact O-N 2.89Å; I193-H196 WeakPolarHBondContact O-CB 3.5Å; I193-H196 PolarHBondContact O-N 3.34Å; I193-H196 VanDerWaalsContact O-N 3.16Å; V194-H196 PolarHBondContact O-N 3.32Å; H196-G199 PolarHBondContact O-N 3.08Å
197L93.3Very high92.2Very high12 Ų1238.5 Ų38.56%0.06321%0.214CC..Hα-helixtrans-60-46.4178.2-74.5174.3000112.1L6 W167 I193 V194 Y218 L220 L224 P226L6-L197 HydrophobicContact CD2-CD1 3.99Å; W167-L197 HydrophobicContact CH2-CD1 4.32Å; W167-L197 HydrophobicContact CH2-CD2 4.05Å; W167-L197 HydrophobicContact CH2-CG 4.49Å; W167-L197 HydrophobicContact CZ2-CD2 3.6Å; W167-L197 HydrophobicContact CZ2-CG 4.26Å; I193-L197 HydrophobicContact CG2-CD1 3.86Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CG 3.2Å; I193-L197 PolarHBondContact O-N 3.17Å; V194-L197 PolarHBondContact O-N 3.22Å; L197-Y218 HydrophobicContact CD1-CD2 4.33Å; L197-Y218 HydrophobicContact CD1-CE2 4.31Å; L197-Y218 HydrophobicContact CD1-CG 4.47Å; L197-L220 HydrophobicContact CD2-CD1 4.36Å; L197-L220 HydrophobicContact CD2-CD2 4.16Å; L197-L224 WeakPolarHBondContact CD2-O 3.3Å; L197-P226 HydrophobicContact CB-CG 4.11Å; L197-P226 WeakPolarHBondContact O-CD 3.36Å
198E93.4Very high91.9Very high74 Ų7439.4 Ų39.435%0.34622%0.216SC..Hα-helixtrans-90-4.6-175.1-70.4-173.5-160.500113.8V194 M200 Y218 P226 M230V194-E198 WeakPolarHBondContact O-CB 3.35Å; V194-E198 PolarHBondContact O-N 3.03Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.72Å; E198-M200 HydrophobicContact CB-SD 4.46Å; E198-M200 PolarHBondContact O-N 3.44Å; E198-Y218 HydrophobicContact CG-CE1 4.24Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.31Å; E198-Y218 PolarHBondContact OE1-OH 3.45Å; E198-P226 HydrophobicContact CG-CG 4.05Å; E198-M230 WeakPolarHBondContact OE1-CE 3.31Å
199G92.2Very high91.5Very high65 Ų6540.6 Ų40.667%0.6722%0.223SC*.THydrogen-bonded Turntrans61.234.8-176.300000113K195 H196K195-G199 WeakPolarHBondContact O-CA 3.47Å; K195-G199 PolarHBondContact O-N 3.32Å; H196-G199 PolarHBondContact O-N 3.08Å
200M92.6Very high91.3Very high32 Ų3240.7 Ų40.716%0.15822%0.223CC..  trans-67.5145-174.6-57.7177.678.100112.1V194 K195 E198 A204 I205 L208V194-M200 HydrophobicContact CG1-SD 3.92Å; K195-M200 HydrophobicContact CG-CB 4.02Å; K195-M200 PolarHBondContact NZ-O 3.17Å; K195-M200 PolarHBondContact O-N 2.84Å; E198-M200 VanDerWaalsContact C-N 3.26Å; E198-M200 HydrophobicContact CB-CG 3.72Å; E198-M200 HydrophobicContact CB-SD 4.46Å; E198-M200 PolarHBondContact O-N 3.44Å; M200-A204 HydrophobicContact CB-CB 4.28Å; M200-A204 HydrophobicContact CE-CB 3.85Å; M200-I205 HydrophobicContact CE-CD1 4.43Å; M200-I205 HydrophobicContact SD-CD1 3.87Å; M200-L208 HydrophobicContact CE-CB 4.33Å; M200-L208 HydrophobicContact CE-CD2 4.43Å; M200-L208 HydrophobicContact SD-CD2 4.17Å
201S93.4Very high91.1Very high55 Ų5540.7 Ų40.739%0.38522%0.223SC..  trans-66.8167.6168.986.20000111.6E203 A204 I205S201-E203 VanDerWaalsContact C-N 3.3Å; S201-E203 WeakPolarHBondContact CB-OE2 3.45Å; S201-E203 PolarHBondContact OG-N 2.76Å; S201-E203 PolarHBondContact OG-OE2 3.24Å; S201-A204 PolarHBondContact OG-N 3.22Å; S201-A204 VanDerWaalsContact OG-N 3.14Å; S201-I205 PolarHBondContact O-N 3.25Å; S201-I205 VanDerWaalsContact O-N 3.13Å
202E90.8Very high91.2Very high84 Ų8440.5 Ų40.539%0.39322%0.224SC..Hα-helixtrans-64.6-37.8176.6-62.8-177.4-179.700110.9Y119 I205 M206Y119-E202 HydrophobicContact CD1-CB 4.22Å; Y119-E202 HydrophobicContact CD1-CG 3.64Å; Y119-E202 WeakPolarHBondContact CD1-OE1 3.38Å; Y119-E202 WeakPolarHBondContact CD1-OE2 3.3Å; Y119-E202 HydrophobicContact CD2-CG 4.45Å; Y119-E202 VanDerWaalsContact CE1-CD 3.46Å; Y119-E202 HydrophobicContact CE1-CG 3.79Å; Y119-E202 WeakPolarHBondContact CE1-OE1 3.38Å; Y119-E202 HydrophobicContact CG-CB 4.18Å; Y119-E202 HydrophobicContact CG-CG 4Å; E202-I205 WeakPolarHBondContact O-CG2 3.36Å; E202-M206 VanDerWaalsContact O-CG 3.28Å; E202-M206 WeakPolarHBondContact O-CG 3.43Å; E202-M206 PolarHBondContact O-N 2.69Å
203E88.3Confident91.4Very high123 Ų12340.5 Ų40.558%0.57522%0.224SC*.Hα-helixtrans-67.7-45.5177.4-53.573-158.800111.7S201 I205 M206S201-E203 VanDerWaalsContact C-N 3.3Å; S201-E203 WeakPolarHBondContact CB-OE2 3.45Å; S201-E203 PolarHBondContact OG-N 2.76Å; S201-E203 PolarHBondContact OG-OE2 3.24Å; E203-I205 VanDerWaalsContact C-N 3.32Å; E203-I205 PolarHBondContact O-N 3.37Å; E203-M206 HydrophobicContact CB-CE 4.49Å; E203-M206 PolarHBondContact O-N 3.46Å
204A89.4Confident91.6Very high44 Ų4440.7 Ų40.736%0.36423%0.225SC..Hα-helixtrans-62.7-40.8-179.500000111.3M200 S201 M206 E207 L208M200-A204 HydrophobicContact CB-CB 4.28Å; M200-A204 HydrophobicContact CE-CB 3.85Å; S201-A204 PolarHBondContact OG-N 3.22Å; S201-A204 VanDerWaalsContact OG-N 3.14Å; A204-M206 VanDerWaalsContact C-N 3.29Å; A204-M206 PolarHBondContact O-N 2.97Å; A204-E207 PolarHBondContact O-N 3.27Å; A204-L208 PolarHBondContact O-N 3.06Å
205I89.1Confident91.7Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-67-32.2-179.8-16760.2000112Y119 L156 R191 K195 M200 S201 E202 E203 E207 L208Y119-I205 HydrophobicContact CD2-CG2 4.18Å; L156-I205 HydrophobicContact CD2-CG1 4.13Å; L156-I205 HydrophobicContact CD2-CG2 4.16Å; R191-I205 HydrophobicContact CB-CD1 3.86Å; R191-I205 HydrophobicContact CB-CG1 4.3Å; R191-I205 HydrophobicContact CG-CD1 4.27Å; R191-I205 PolarHBondContact NE-O 3.47Å; R191-I205 PolarHBondContact NH2-O 3.41Å; R191-I205 VanDerWaalsContact O-CD1 3.28Å; R191-I205 WeakPolarHBondContact O-CD1 3.35Å; K195-I205 HydrophobicContact CB-CB 4.44Å; K195-I205 HydrophobicContact CB-CD1 3.89Å; K195-I205 HydrophobicContact CB-CG1 4.01Å; K195-I205 HydrophobicContact CD-CB 4.3Å; K195-I205 HydrophobicContact CD-CG1 4.37Å; K195-I205 HydrophobicContact CD-CG2 4.09Å; K195-I205 HydrophobicContact CG-CB 4.14Å; K195-I205 HydrophobicContact CG-CD1 4.5Å; K195-I205 HydrophobicContact CG-CG1 4.22Å; K195-I205 HydrophobicContact CG-CG2 4.45Å; M200-I205 HydrophobicContact CE-CD1 4.43Å; M200-I205 HydrophobicContact SD-CD1 3.87Å; S201-I205 PolarHBondContact O-N 3.25Å; S201-I205 VanDerWaalsContact O-N 3.13Å; E202-I205 WeakPolarHBondContact O-CG2 3.36Å; E203-I205 VanDerWaalsContact C-N 3.32Å; E203-I205 PolarHBondContact O-N 3.37Å; I205-E207 PolarHBondContact O-N 3.12Å; I205-L208 HydrophobicContact CD1-CB 4.11Å; I205-L208 HydrophobicContact CD1-CD2 3.66Å; I205-L208 PolarHBondContact O-N 3.25Å
206M85.9Confident91.9Very high56 Ų5638.9 Ų38.928%0.27622%0.217SC..Hα-helixtrans-62.6-27.4179-70.1-164.9-75.900113.6R117 R191 E202 E203 A204R117-M206 WeakPolarHBondContact O-CG 3.36Å; R191-M206 VanDerWaalsContact NH2-CA 3.35Å; R191-M206 PolarHBondContact NH2-O 3.32Å; E202-M206 VanDerWaalsContact O-CG 3.28Å; E202-M206 WeakPolarHBondContact O-CG 3.43Å; E202-M206 PolarHBondContact O-N 2.69Å; E203-M206 HydrophobicContact CB-CE 4.49Å; E203-M206 PolarHBondContact O-N 3.46Å; A204-M206 VanDerWaalsContact C-N 3.29Å; A204-M206 PolarHBondContact O-N 2.97Å
207E86.4Confident92.1Very high108 Ų10835.3 Ų35.351%0.50520%0.201SC..Hα-helixtrans-93.8-14179.3-64.6-53.8143.100113.9R117 A204 I205 N209R117-E207 IonicContact NH1-OE1 3.67Å; R117-E207 IonicContact NH1-OE2 3.7Å; R117-E207 PolarHBondContact NH1-OE2 3.43Å; A204-E207 PolarHBondContact O-N 3.27Å; I205-E207 PolarHBondContact O-N 3.12Å; E207-N209 PolarHBondContact O-N 2.98Å; E207-N209 PolarHBondContact O-ND2 3.4Å
208L88.1Confident92.4Very high27 Ų2735 Ų3514%0.14120%0.199CC..  trans-65.5121176-177.363.7000111.4R191 V194 M200 A204 I205 L210 M230R191-L208 HydrophobicContact CG-CD2 4.18Å; R191-L208 HydrophobicContact CG-CG 4.45Å; R191-L208 VanDerWaalsContact CZ-O 3.25Å; R191-L208 PolarHBondContact NE-O 3.48Å; R191-L208 PolarHBondContact NH2-O 2.98Å; V194-L208 HydrophobicContact CB-CD2 4.06Å; V194-L208 HydrophobicContact CG1-CD2 3.49Å; V194-L208 VanDerWaalsContact CG1-CD2 3.49Å; M200-L208 HydrophobicContact CE-CB 4.33Å; M200-L208 HydrophobicContact CE-CD2 4.43Å; M200-L208 HydrophobicContact SD-CD2 4.17Å; A204-L208 PolarHBondContact O-N 3.06Å; I205-L208 HydrophobicContact CD1-CB 4.11Å; I205-L208 HydrophobicContact CD1-CD2 3.66Å; I205-L208 PolarHBondContact O-N 3.25Å; L208-L210 HydrophobicContact CD1-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CG-CD2 3.99Å; L208-L210 HydrophobicContact CG-CG 4.43Å; L208-M230 HydrophobicContact CD1-CE 3.96Å; L208-M230 HydrophobicContact CD2-CE 4.46Å
209N84.4Confident92.5Very high33 Ų3335.4 Ų35.418%0.17620%0.201CC..  trans-116.1118.3173.2-64.2-71.7000109.4R117 E207 V246R117-N209 PolarHBondContact NH2-OD1 2.93Å; R117-N209 VanDerWaalsContact NH2-OD1 3.17Å; E207-N209 PolarHBondContact O-N 2.98Å; E207-N209 PolarHBondContact O-ND2 3.4Å; N209-V246 HydrophobicContact CB-CB 4.47Å; N209-V246 HydrophobicContact CB-CG1 3.84Å
210L91.3Very high92.8Very high2 Ų232.3 Ų32.31%0.0117%0.169CC..PPolyproline II helixtrans-92.7121.2177-59.4-177.7000109.9R10 L190 R191 L208 I216 M230R10-L210 WeakPolarHBondContact CD-O 3.34Å; R10-L210 PolarHBondContact NH1-O 3.42Å; L190-L210 HydrophobicContact CB-CD1 3.52Å; R191-L210 HydrophobicContact CG-CD1 4.02Å; R191-L210 HydrophobicContact CG-CG 4.17Å; L208-L210 HydrophobicContact CD1-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CG-CD2 3.99Å; L208-L210 HydrophobicContact CG-CG 4.43Å; L210-I216 HydrophobicContact CB-CD1 4.4Å; L210-I216 HydrophobicContact CD1-CD1 4.27Å; L210-I216 HydrophobicContact CD2-CD1 3.82Å; L210-I216 HydrophobicContact CG-CD1 4.38Å; L210-M230 HydrophobicContact CD2-SD 4.4Å
211P93.8Very high93Very high0 Ų032.7 Ų32.70%017%0.171CC..PPolyproline II helixtrans-63.3153.817826.3-33.7000112.1R10 I214 F232 A242 M243R10-P211 WeakPolarHBondContact CB-O 3.48Å; P211-I214 HydrophobicContact CB-CB 4.31Å; P211-I214 HydrophobicContact CB-CD1 3.92Å; P211-I214 HydrophobicContact CB-CG1 4.22Å; P211-I214 HydrophobicContact CG-CB 3.98Å; P211-I214 HydrophobicContact CG-CD1 4.13Å; P211-I214 HydrophobicContact CG-CG1 4.38Å; P211-I214 HydrophobicContact CG-CG2 4.45Å; P211-F232 HydrophobicContact CG-CD1 3.89Å; P211-F232 HydrophobicContact CG-CE1 3.78Å; P211-A242 HydrophobicContact CB-CB 3.65Å; P211-M243 HydrophobicContact CG-CG 4.41Å
212T95.2Very high93.1Very high10 Ų1037.7 Ų37.76%0.06119%0.186CC..SBendtrans-79.5137.1175.943.50000111.2R10 H11 E37 I214R10-T212 HydrophobicContact CG-CG2 4.47Å; R10-T212 VanDerWaalsContact CZ-CG2 3.49Å; H11-T212 WeakPolarHBondContact O-CB 3.2Å; H11-T212 WeakPolarHBondContact O-CG2 3.11Å; E37-T212 PolarHBondContact OE1-OG1 3Å; E37-T212 WeakPolarHBondContact OE2-CB 3.43Å; E37-T212 PolarHBondContact OE2-OG1 2.96Å; T212-I214 PolarHBondContact O-N 2.82Å
213G96.4Very high93.3Very high1 Ų139.5 Ų39.51%0.0120%0.199CC..SBendtrans65.54.917300000116.8R10 G41R10-G213 WeakPolarHBondContact O-CA 3.47Å; R10-G213 PolarHBondContact O-N 3.43Å; G41-G213 WeakPolarHBondContact CA-O 3.36Å
214I97.6Very high93.6Very high5 Ų534.5 Ų34.53%0.02618%0.176CC..  trans-97.1121.7176.9-59.8-171.4000109.2P211 T212 F232 T238 V239 A242P211-I214 HydrophobicContact CB-CB 4.31Å; P211-I214 HydrophobicContact CB-CD1 3.92Å; P211-I214 HydrophobicContact CB-CG1 4.22Å; P211-I214 HydrophobicContact CG-CB 3.98Å; P211-I214 HydrophobicContact CG-CD1 4.13Å; P211-I214 HydrophobicContact CG-CG1 4.38Å; P211-I214 HydrophobicContact CG-CG2 4.45Å; T212-I214 PolarHBondContact O-N 2.82Å; I214-F232 HydrophobicContact CG2-CB 3.9Å; I214-F232 HydrophobicContact CG2-CD1 4.15Å; I214-F232 HydrophobicContact CG2-CG 4.47Å; I214-T238 HydrophobicContact CD1-CG2 4.33Å; I214-V239 HydrophobicContact CD1-CB 4.29Å; I214-V239 HydrophobicContact CD1-CG2 4.04Å; I214-V239 HydrophobicContact CG2-CG2 4.27Å; I214-A242 HydrophobicContact CD1-CB 3.51Å; I214-A242 HydrophobicContact CG1-CB 4.42Å
215P98.2Very high93.9Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-62.4136.1173.8-17.127.7000111.8V7 I9 G41 L45 L233V7-P215 HydrophobicContact CG1-CB 3.98Å; I9-P215 HydrophobicContact CD1-CG 4.31Å; G41-P215 WeakPolarHBondContact O-CG 3.45Å; L45-P215 HydrophobicContact CD1-CB 4.25Å; L45-P215 HydrophobicContact CD1-CG 3.98Å; L45-P215 HydrophobicContact CD2-CB 3.97Å; L45-P215 HydrophobicContact CD2-CG 4.24Å; L45-P215 HydrophobicContact CG-CB 4.06Å; L45-P215 HydrophobicContact CG-CG 3.78Å; P215-L233 HydrophobicContact CB-CB 4.09Å; P215-L233 HydrophobicContact CG-CB 4.37Å; P215-L233 PolarHBondContact O-N 3.29Å
216I97.9Very high94.3Very high0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-112.7118.4178.9-49171.4000107.3V7 L8 L210 Y218 M230 Q231 F232V7-I216 WeakPolarHBondContact CA-O 3.39Å; L8-I216 HydrophobicContact CB-CB 4.25Å; L8-I216 PolarHBondContact N-O 3.45Å; L8-I216 PolarHBondContact O-N 2.86Å; L210-I216 HydrophobicContact CB-CD1 4.4Å; L210-I216 HydrophobicContact CD1-CD1 4.27Å; L210-I216 HydrophobicContact CD2-CD1 3.82Å; L210-I216 HydrophobicContact CG-CD1 4.38Å; I216-Y218 HydrophobicContact CG2-CD2 4.45Å; I216-Y218 HydrophobicContact CG2-CE2 4.04Å; I216-M230 HydrophobicContact CG2-CB 3.88Å; I216-M230 HydrophobicContact CG2-CG 4.18Å; I216-M230 HydrophobicContact CG2-SD 4.04Å; I216-Q231 CarbonylContact C-O 3.57Å; I216-Q231 WeakPolarHBondContact CA-O 3.45Å; I216-F232 HydrophobicContact CD1-CE1 4.11Å; I216-F232 HydrophobicContact CG1-CD1 3.91Å; I216-F232 HydrophobicContact CG1-CE1 3.78Å; I216-F232 HydrophobicContact CG2-CE1 4.36Å
217L97.4Very high94.7Very high11 Ų1140.8 Ų40.86%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-100.1133.2-175-48176.3000110.1V7 L45 Y50 Q231 L233V7-L217 HydrophobicContact CB-CD2 4.4Å; V7-L217 HydrophobicContact CG1-CD2 4.14Å; V7-L217 HydrophobicContact CG2-CD2 3.56Å; L45-L217 HydrophobicContact CD2-CD2 4.36Å; Y50-L217 HydrophobicContact CE1-CD2 4.11Å; Y50-L217 HydrophobicContact CE2-CD1 4.11Å; Y50-L217 HydrophobicContact CE2-CD2 4.23Å; Y50-L217 WeakPolarHBondContact OH-CD1 3.32Å; L217-Q231 HydrophobicContact CB-CB 4.25Å; L217-Q231 PolarHBondContact N-O 3.22Å; L217-Q231 PolarHBondContact O-N 3.3Å; L217-L233 HydrophobicContact CD1-CB 4.09Å; L217-L233 HydrophobicContact CD1-CD1 4.05Å; L217-L233 HydrophobicContact CD1-CD2 4.35Å; L217-L233 HydrophobicContact CD1-CG 4.39Å; L217-L233 HydrophobicContact CD2-CD2 4.41Å; L217-L233 HydrophobicContact CG-CB 4.28Å
218Y97.8Very high95.1Very high4 Ų437.4 Ų37.42%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-121.3131.5169.3-82.9-80.5000110.4K5 L6 L8 V194 L197 E198 I216 L220 P226 M230K5-Y218 WeakPolarHBondContact CA-O 3.45Å; L6-Y218 PolarHBondContact N-O 3.07Å; L6-Y218 PolarHBondContact O-N 3.32Å; L8-Y218 HydrophobicContact CD1-CD2 4.17Å; L8-Y218 HydrophobicContact CD1-CE2 3.93Å; L8-Y218 HydrophobicContact CG-CD2 4.49Å; V194-Y218 VanDerWaalsContact CG1-OH 3.32Å; V194-Y218 WeakPolarHBondContact CG1-OH 3.38Å; V194-Y218 HydrophobicContact CG2-CE2 4.21Å; L197-Y218 HydrophobicContact CD1-CD2 4.33Å; L197-Y218 HydrophobicContact CD1-CE2 4.31Å; L197-Y218 HydrophobicContact CD1-CG 4.47Å; E198-Y218 HydrophobicContact CG-CE1 4.24Å; E198-Y218 WeakPolarHBondContact OE1-CE1 3.31Å; E198-Y218 PolarHBondContact OE1-OH 3.45Å; I216-Y218 HydrophobicContact CG2-CD2 4.45Å; I216-Y218 HydrophobicContact CG2-CE2 4.04Å; Y218-L220 HydrophobicContact CD1-CD2 4.27Å; Y218-L220 HydrophobicContact CG-CD2 4.42Å; Y218-P226 HydrophobicContact CD1-CB 4.02Å; Y218-P226 HydrophobicContact CD1-CG 3.85Å; Y218-P226 HydrophobicContact CE1-CB 4.19Å; Y218-P226 HydrophobicContact CE1-CG 3.83Å; Y218-M230 HydrophobicContact CE1-CB 3.82Å; Y218-M230 HydrophobicContact CE2-CB 3.98Å; Y218-M230 WeakPolarHBondContact OH-CE 3.35Å
219E96.6Very high95.3Very high84 Ų8441.3 Ų41.339%0.39322%0.223SC..EExtended strand (participates in β ladder)trans-99.7125159.8-65.7-165.7161.400108.6A2 Y4 P226 V227A2-E219 HydrophobicContact CB-CB 3.88Å; A2-E219 HydrophobicContact CB-CG 4.36Å; Y4-E219 WeakPolarHBondContact O-CA 3.35Å; E219-P226 WeakPolarHBondContact O-CA 3.24Å; E219-V227 HydrophobicContact CB-CG2 3.53Å; E219-V227 WeakPolarHBondContact O-CG2 3.42Å; E219-V227 PolarHBondContact O-N 3.28Å
220L97.6Very high95.7Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-117.3144.6-173.9-54.5177.9000111A3 Y4 L6 L197 Y218 L224 K225 P226A3-L220 PolarHBondContact N-O 2.85Å; Y4-L220 HydrophobicContact CD2-CB 4.47Å; Y4-L220 PolarHBondContact N-O 3.29Å; Y4-L220 PolarHBondContact O-N 2.95Å; L6-L220 HydrophobicContact CB-CD1 4.26Å; L6-L220 HydrophobicContact CD2-CD1 4.28Å; L197-L220 HydrophobicContact CD2-CD1 4.36Å; L197-L220 HydrophobicContact CD2-CD2 4.16Å; Y218-L220 HydrophobicContact CD1-CD2 4.27Å; Y218-L220 HydrophobicContact CG-CD2 4.42Å; L220-L224 HydrophobicContact CD1-CD2 4.31Å; L220-K225 CarbonylContact C-O 3.55Å; L220-K225 WeakPolarHBondContact CA-O 3.11Å; L220-P226 HydrophobicContact CD2-CB 4.42Å; L220-P226 HydrophobicContact CD2-CG 4.03Å
221D96.7Very high95.9Very high39 Ų3946.4 Ų46.421%0.20925%0.246CC..  trans-77.8-179.3170.478.72.8000112.1Y4 N223 L224 K225 V227Y4-D221 VanDerWaalsContact CD2-O 3.31Å; Y4-D221 WeakPolarHBondContact CD2-O 3.44Å; Y4-D221 WeakPolarHBondContact CE2-O 3.48Å; D221-N223 PolarHBondContact O-N 2.91Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.26Å; D221-N223 VanDerWaalsContact OD1-CA 3.26Å; D221-N223 WeakPolarHBondContact OD1-CA 3.44Å; D221-N223 WeakPolarHBondContact OD1-CB 3.46Å; D221-N223 PolarHBondContact OD1-N 3.48Å; D221-L224 PolarHBondContact O-N 3.28Å; D221-L224 PolarHBondContact OD1-N 2.97Å; D221-L224 VanDerWaalsContact OD1-N 3.08Å; D221-K225 PolarHBondContact N-O 3.1Å; D221-K225 PolarHBondContact OD1-N 2.96Å; D221-V227 HydrophobicContact CB-CG1 3.77Å
222K95.9Very high96Very high160 Ų16049 Ų4970%0.69626%0.257SS*.THydrogen-bonded Turntrans-61.1-20179.2-67-174.7177.8-176.20114.1A3A3-K222 HydrophobicContact CB-CG 3.88Å
223N94.6Very high96Very high123 Ų12350.2 Ų50.266%0.65826%0.263SS*.THydrogen-bonded Turntrans-97.710.2177.2-56.7-51.7000112.1D221 K225D221-N223 PolarHBondContact O-N 2.91Å; D221-N223 VanDerWaalsContact O-N 3.12Å; D221-N223 VanDerWaalsContact OD1-C 3.26Å; D221-N223 VanDerWaalsContact OD1-CA 3.26Å; D221-N223 WeakPolarHBondContact OD1-CA 3.44Å; D221-N223 WeakPolarHBondContact OD1-CB 3.46Å; D221-N223 PolarHBondContact OD1-N 3.48Å; N223-K225 PolarHBondContact O-N 2.99Å
224L95.2Very high95.6Very high17 Ų1752.1 Ų52.19%0.08928%0.283CS..SBendtrans62.326.1-177.3-52.4-175.6000114.1Y4 V172 I175 K176 L197 L220 D221Y4-L224 HydrophobicContact CD2-CD2 3.55Å; Y4-L224 HydrophobicContact CE2-CD2 3.73Å; Y4-L224 HydrophobicContact CG-CD2 4.47Å; V172-L224 HydrophobicContact CB-CD1 4.03Å; V172-L224 HydrophobicContact CG1-CD1 3.61Å; V172-L224 HydrophobicContact CG2-CD1 3.62Å; I175-L224 HydrophobicContact CB-CD2 4.37Å; I175-L224 HydrophobicContact CG2-CD2 3.59Å; K176-L224 HydrophobicContact CG-CD1 4.39Å; K176-L224 HydrophobicContact CG-CD2 4.45Å; L197-L224 WeakPolarHBondContact CD2-O 3.3Å; L220-L224 HydrophobicContact CD1-CD2 4.31Å; D221-L224 PolarHBondContact O-N 3.28Å; D221-L224 PolarHBondContact OD1-N 2.97Å; D221-L224 VanDerWaalsContact OD1-N 3.08Å
225K95.9Very high95.1Very high135 Ų13555.8 Ų55.859%0.58730%0.302SS*.  trans-89.2137.4170.9-66-169.2175-172.40110.4L220 D221 N223 V227L220-K225 CarbonylContact C-O 3.55Å; L220-K225 WeakPolarHBondContact CA-O 3.11Å; D221-K225 PolarHBondContact N-O 3.1Å; D221-K225 PolarHBondContact OD1-N 2.96Å; N223-K225 PolarHBondContact O-N 2.99Å; K225-V227 PolarHBondContact O-N 2.82Å
226P96.6Very high94.6Very high33 Ų3364.2 Ų64.221%0.21434%0.342CS..BIsolated β-bridgetrans-54.6130.4171.4-26.435.8000111.5L197 E198 Y218 E219 L220 G228L197-P226 HydrophobicContact CB-CG 4.11Å; L197-P226 WeakPolarHBondContact O-CD 3.36Å; E198-P226 HydrophobicContact CG-CG 4.05Å; Y218-P226 HydrophobicContact CD1-CB 4.02Å; Y218-P226 HydrophobicContact CD1-CG 3.85Å; Y218-P226 HydrophobicContact CE1-CB 4.19Å; Y218-P226 HydrophobicContact CE1-CG 3.83Å; E219-P226 WeakPolarHBondContact O-CA 3.24Å; L220-P226 HydrophobicContact CD2-CB 4.42Å; L220-P226 HydrophobicContact CD2-CG 4.03Å; P226-G228 VanDerWaalsContact C-N 3.31Å; P226-G228 WeakPolarHBondContact CB-O 3.34Å
227V95.9Very high94.2Very high65 Ų6569.9 Ų69.939%0.39437%0.368SS..SBendtrans-86.7-5.8174.8-61.90000112.9A2 E219 D221 K225A2-V227 HydrophobicContact CB-CG2 3.95Å; E219-V227 HydrophobicContact CB-CG2 3.53Å; E219-V227 WeakPolarHBondContact O-CG2 3.42Å; E219-V227 PolarHBondContact O-N 3.28Å; D221-V227 HydrophobicContact CB-CG1 3.77Å; K225-V227 PolarHBondContact O-N 2.82Å
228G93.8Very high93.7Very high36 Ų3670.9 Ų70.937%0.37138%0.375SS..SBendtrans-163-179.5178.700000110.8P226P226-G228 VanDerWaalsContact C-N 3.31Å; P226-G228 WeakPolarHBondContact CB-O 3.34Å
229P92.3Very high93.2Very high110 Ų11071.5 Ų71.571%0.71438%0.379SS*.  trans-65.1152.7176.129.3-34.9000111
230M93.6Very high92.8Very high31 Ų3173.8 Ų73.815%0.15339%0.388CS..  trans-56.8140.7168.878.8-179.782.500110.3V194 E198 L208 L210 I216 Y218 F232V194-M230 HydrophobicContact CG1-CE 3.73Å; E198-M230 WeakPolarHBondContact OE1-CE 3.31Å; L208-M230 HydrophobicContact CD1-CE 3.96Å; L208-M230 HydrophobicContact CD2-CE 4.46Å; L210-M230 HydrophobicContact CD2-SD 4.4Å; I216-M230 HydrophobicContact CG2-CB 3.88Å; I216-M230 HydrophobicContact CG2-CG 4.18Å; I216-M230 HydrophobicContact CG2-SD 4.04Å; Y218-M230 HydrophobicContact CE1-CB 3.82Å; Y218-M230 HydrophobicContact CE2-CB 3.98Å; Y218-M230 WeakPolarHBondContact OH-CE 3.35Å; M230-F232 HydrophobicContact CG-CE2 4.48Å; M230-F232 HydrophobicContact CG-CZ 4.3Å; M230-F232 HydrophobicContact SD-CE1 4.34Å; M230-F232 HydrophobicContact SD-CE2 4.49Å; M230-F232 HydrophobicContact SD-CZ 3.81Å
231Q94.9Very high92.4Very high110 Ų11079.4 Ų79.451%0.51441%0.412SS..EExtended strand (participates in β ladder)trans-114.4135.6179-61.2178-17.900110.3I216 L217I216-Q231 CarbonylContact C-O 3.57Å; I216-Q231 WeakPolarHBondContact CA-O 3.45Å; L217-Q231 HydrophobicContact CB-CB 4.25Å; L217-Q231 PolarHBondContact N-O 3.22Å; L217-Q231 PolarHBondContact O-N 3.3Å
232F95.8Very high91.9Very high54 Ų5478.1 Ų78.124%0.23741%0.407CS..EExtended strand (participates in β ladder)trans-93.7125.4173.9-63.2-69.8000109.4P211 I214 I216 M230 V239 M243P211-F232 HydrophobicContact CG-CD1 3.89Å; P211-F232 HydrophobicContact CG-CE1 3.78Å; I214-F232 HydrophobicContact CG2-CB 3.9Å; I214-F232 HydrophobicContact CG2-CD1 4.15Å; I214-F232 HydrophobicContact CG2-CG 4.47Å; I216-F232 HydrophobicContact CD1-CE1 4.11Å; I216-F232 HydrophobicContact CG1-CD1 3.91Å; I216-F232 HydrophobicContact CG1-CE1 3.78Å; I216-F232 HydrophobicContact CG2-CE1 4.36Å; M230-F232 HydrophobicContact CG-CE2 4.48Å; M230-F232 HydrophobicContact CG-CZ 4.3Å; M230-F232 HydrophobicContact SD-CE1 4.34Å; M230-F232 HydrophobicContact SD-CE2 4.49Å; M230-F232 HydrophobicContact SD-CZ 3.81Å; F232-V239 HydrophobicContact CB-CG1 3.68Å; F232-V239 HydrophobicContact CB-CG2 3.96Å; F232-V239 HydrophobicContact CD2-CG1 4.04Å; F232-V239 HydrophobicContact CG-CG1 3.98Å; F232-M243 HydrophobicContact CE2-CE 4.47Å; F232-M243 HydrophobicContact CE2-SD 4.23Å
233L94.4Very high91.3Very high36 Ų3674.2 Ų74.219%0.18839%0.392CS..  trans-91.9114-179-166.664.1000110.6A44 L45 A48 Y50 P215 L217A44-L233 HydrophobicContact CB-CD2 4.24Å; A44-L233 HydrophobicContact CB-CG 4.04Å; A44-L233 WeakPolarHBondContact O-CD2 3.43Å; L45-L233 HydrophobicContact CD2-CD2 3.71Å; L45-L233 HydrophobicContact CG-CD2 4.17Å; A48-L233 HydrophobicContact CB-CD1 4.05Å; A48-L233 HydrophobicContact CB-CD2 3.94Å; Y50-L233 HydrophobicContact CD2-CD2 4.34Å; Y50-L233 HydrophobicContact CE2-CD2 4.31Å; P215-L233 HydrophobicContact CB-CB 4.09Å; P215-L233 HydrophobicContact CG-CB 4.37Å; P215-L233 PolarHBondContact O-N 3.29Å; L217-L233 HydrophobicContact CD1-CB 4.09Å; L217-L233 HydrophobicContact CD1-CD1 4.05Å; L217-L233 HydrophobicContact CD1-CD2 4.35Å; L217-L233 HydrophobicContact CD1-CG 4.39Å; L217-L233 HydrophobicContact CD2-CD2 4.41Å; L217-L233 HydrophobicContact CG-CB 4.28Å
234G89.8Confident90.9Very high41 Ų4173.7 Ų73.742%0.42339%0.385SS..SBendtrans159.4174.5-17900000110.6
235D87.1Confident90.3Very high82 Ų8275.5 Ų75.544%0.43940%0.403SS..  trans-67.6145.8171.56894.6000110.9E237 T238 V239D235-E237 PolarHBondContact O-N 3.31Å; D235-E237 PolarHBondContact OD1-N 3.29Å; D235-T238 PolarHBondContact O-N 3.31Å; D235-T238 WeakPolarHBondContact OD1-CB 3.4Å; D235-T238 PolarHBondContact OD1-N 3.18Å; D235-T238 PolarHBondContact OD1-OG1 3.04Å; D235-T238 WeakPolarHBondContact OD2-CB 3.48Å; D235-T238 PolarHBondContact OD2-OG1 2.96Å; D235-V239 WeakPolarHBondContact O-CG2 3.43Å; D235-V239 PolarHBondContact O-N 2.99Å
236E86.6Confident89.5Confident178 Ų17869.4 Ų69.483%0.83238%0.377SS*.Hα-helixtrans-57.5-36.1-173.9-67.9-174.717000112.8K240E236-K240 VanDerWaalsContact O-CB 3.27Å; E236-K240 WeakPolarHBondContact O-CB 3.36Å; E236-K240 PolarHBondContact O-N 3.5Å
237E89.1Confident88.6Confident119 Ų11969.8 Ų69.856%0.55638%0.383SS*.Hα-helixtrans-67.9-45.2-179.2-169.6-177.916700111.2D235 K240 K241D235-E237 PolarHBondContact O-N 3.31Å; D235-E237 PolarHBondContact OD1-N 3.29Å; E237-K240 PolarHBondContact O-N 3.5Å; E237-K241 HydrophobicContact CG-CD 4.34Å; E237-K241 WeakPolarHBondContact O-CB 3.31Å; E237-K241 WeakPolarHBondContact O-CG 3.37Å; E237-K241 PolarHBondContact O-N 3.44Å; E237-K241 WeakPolarHBondContact OE1-CE 3.39Å; E237-K241 IonicContact OE1-NZ 2.95Å; E237-K241 PolarHBondContact OE1-NZ 2.88Å
238T86.6Confident87.8Confident31 Ų3169.2 Ų69.219%0.1939%0.385CS..Hα-helixtrans-61.2-46.7174.9-690000111.5I214 D235 K240 K241 A242I214-T238 HydrophobicContact CD1-CG2 4.33Å; D235-T238 PolarHBondContact O-N 3.31Å; D235-T238 WeakPolarHBondContact OD1-CB 3.4Å; D235-T238 PolarHBondContact OD1-N 3.18Å; D235-T238 PolarHBondContact OD1-OG1 3.04Å; D235-T238 WeakPolarHBondContact OD2-CB 3.48Å; D235-T238 PolarHBondContact OD2-OG1 2.96Å; T238-K240 PolarHBondContact O-N 3.39Å; T238-K241 PolarHBondContact O-N 2.8Å; T238-A242 WeakPolarHBondContact O-CB 3.46Å; T238-A242 PolarHBondContact O-N 3.44Å
239V88.6Confident86.4Confident17 Ų1769.3 Ų69.310%0.10338%0.376CS..Hα-helixtrans-59.9-48.4178.7175.70000110.4I214 F232 D235 K241 A242 M243I214-V239 HydrophobicContact CD1-CB 4.29Å; I214-V239 HydrophobicContact CD1-CG2 4.04Å; I214-V239 HydrophobicContact CG2-CG2 4.27Å; F232-V239 HydrophobicContact CB-CG1 3.68Å; F232-V239 HydrophobicContact CB-CG2 3.96Å; F232-V239 HydrophobicContact CD2-CG1 4.04Å; F232-V239 HydrophobicContact CG-CG1 3.98Å; D235-V239 WeakPolarHBondContact O-CG2 3.43Å; D235-V239 PolarHBondContact O-N 2.99Å; V239-K241 PolarHBondContact O-N 3.09Å; V239-A242 PolarHBondContact O-N 2.97Å; V239-M243 HydrophobicContact CG1-SD 4.27Å; V239-M243 WeakPolarHBondContact O-CG 3.05Å; V239-M243 PolarHBondContact O-N 3.43Å
240K88.3Confident84.7Confident132 Ų13265.2 Ų65.257%0.57435%0.354SS*.Hα-helixtrans-59.5-49.5179.2-176.8179.5175.4-176.60112E236 E237 T238 A242 M243 E244E236-K240 VanDerWaalsContact O-CB 3.27Å; E236-K240 WeakPolarHBondContact O-CB 3.36Å; E236-K240 PolarHBondContact O-N 3.5Å; E237-K240 PolarHBondContact O-N 3.5Å; T238-K240 PolarHBondContact O-N 3.39Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.05Å; K240-M243 PolarHBondContact O-N 2.82Å; K240-E244 WeakPolarHBondContact CE-OE1 3.24Å; K240-E244 WeakPolarHBondContact O-CG 3.18Å; K240-E244 PolarHBondContact O-N 2.82Å
241K88.1Confident83.2Confident119 Ų11971 Ų7152%0.51738%0.378SS..Hα-helixtrans-59.8-42.2178.5-75.9177.5-176.5169.10112E237 T238 V239 E244 A245E237-K241 HydrophobicContact CG-CD 4.34Å; E237-K241 WeakPolarHBondContact O-CB 3.31Å; E237-K241 WeakPolarHBondContact O-CG 3.37Å; E237-K241 PolarHBondContact O-N 3.44Å; E237-K241 WeakPolarHBondContact OE1-CE 3.39Å; E237-K241 IonicContact OE1-NZ 2.95Å; E237-K241 PolarHBondContact OE1-NZ 2.88Å; T238-K241 PolarHBondContact O-N 2.8Å; V239-K241 PolarHBondContact O-N 3.09Å; K241-E244 PolarHBondContact O-N 3.3Å; K241-A245 WeakPolarHBondContact O-CB 3.48Å; K241-A245 PolarHBondContact O-N 3.4Å
242A86Confident81.2Confident11 Ų1168 Ų689%0.09137%0.372CS..Hα-helixtrans-66.4-40.2179.200000112.1P211 I214 T238 V239 K240 A245 V246P211-A242 HydrophobicContact CB-CB 3.65Å; I214-A242 HydrophobicContact CD1-CB 3.51Å; I214-A242 HydrophobicContact CG1-CB 4.42Å; T238-A242 WeakPolarHBondContact O-CB 3.46Å; T238-A242 PolarHBondContact O-N 3.44Å; V239-A242 PolarHBondContact O-N 2.97Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.05Å; A242-A245 PolarHBondContact O-N 2.66Å; A242-V246 WeakPolarHBondContact O-CG2 3.39Å; A242-V246 PolarHBondContact O-N 3Å; A242-V246 VanDerWaalsContact O-N 3.12Å
243M84.4Confident79.1Confident78 Ų7875.3 Ų75.338%0.38440%0.404SS..Hα-helixtrans-63-45.2174.8-72.1-172.978.400112P211 F232 V239 K240 V246 A247P211-M243 HydrophobicContact CG-CG 4.41Å; F232-M243 HydrophobicContact CE2-CE 4.47Å; F232-M243 HydrophobicContact CE2-SD 4.23Å; V239-M243 HydrophobicContact CG1-SD 4.27Å; V239-M243 WeakPolarHBondContact O-CG 3.05Å; V239-M243 PolarHBondContact O-N 3.43Å; K240-M243 PolarHBondContact O-N 2.82Å; M243-V246 PolarHBondContact O-N 2.62Å; M243-A247 PolarHBondContact O-N 3.44Å
244E86Confident76.5Confident112 Ų11286.7 Ų86.752%0.52345%0.452SS..Hα-helixtrans-62.2-42.9177-72.6175.2-177.900111.9K240 K241 V246 A247 A248K240-E244 WeakPolarHBondContact CE-OE1 3.24Å; K240-E244 WeakPolarHBondContact O-CG 3.18Å; K240-E244 PolarHBondContact O-N 2.82Å; K241-E244 PolarHBondContact O-N 3.3Å; E244-V246 PolarHBondContact O-N 2.78Å; E244-A247 PolarHBondContact O-N 3.01Å; E244-A248 WeakPolarHBondContact O-CB 3.39Å; E244-A248 PolarHBondContact O-N 3.32Å
245A83.6Confident75.9Confident55 Ų5589 Ų8946%0.45545%0.453SS..Hα-helixtrans-60.1-45.3177.600000112K241 A242 A248 Q249K241-A245 WeakPolarHBondContact O-CB 3.48Å; K241-A245 PolarHBondContact O-N 3.4Å; A242-A245 PolarHBondContact O-N 2.66Å; A245-A248 PolarHBondContact O-N 3.13Å; A245-Q249 WeakPolarHBondContact O-CG 3.38Å; A245-Q249 PolarHBondContact O-N 2.93Å
246V78.1Confident75.3Confident8 Ų889.4 Ų89.45%0.04845%0.454CS..Hα-helixtrans-66.1-39.2177.5177.30000111.7N209 A242 M243 E244 A248 Q249N209-V246 HydrophobicContact CB-CB 4.47Å; N209-V246 HydrophobicContact CB-CG1 3.84Å; A242-V246 WeakPolarHBondContact O-CG2 3.39Å; A242-V246 PolarHBondContact O-N 3Å; A242-V246 VanDerWaalsContact O-N 3.12Å; M243-V246 PolarHBondContact O-N 2.62Å; E244-V246 PolarHBondContact O-N 2.78Å; V246-A248 PolarHBondContact O-N 3.03Å; V246-Q249 WeakPolarHBondContact O-CB 3.44Å; V246-Q249 PolarHBondContact O-N 3.33Å
247A78.4Confident74.6Confident40 Ų4084.4 Ų84.433%0.33143%0.433SS..Hα-helixtrans-65.4-28.8176.300000112.9M243 E244M243-A247 PolarHBondContact O-N 3.44Å; E244-A247 PolarHBondContact O-N 3.01Å
248A77.7Confident73.8Confident54 Ų5482.4 Ų82.445%0.44643%0.426SS..Hα-helixtrans-78.5-22176.400000113.6E244 A245 V246 G250 K251E244-A248 WeakPolarHBondContact O-CB 3.39Å; E244-A248 PolarHBondContact O-N 3.32Å; A245-A248 PolarHBondContact O-N 3.13Å; V246-A248 PolarHBondContact O-N 3.03Å; A248-G250 PolarHBondContact O-N 3.42Å; A248-K251 PolarHBondContact O-N 3.44Å; A248-K251 VanDerWaalsContact O-N 3.13Å
249Q66.2Low73Confident38 Ų3885.6 Ų85.618%0.17844%0.441CS..THydrogen-bonded Turntrans-58113.4178.1-71.61744.900109.3R116 A245 V246R116-Q249 PolarHBondContact NH1-O 2.91Å; R116-Q249 PolarHBondContact NH2-O 2.87Å; A245-Q249 WeakPolarHBondContact O-CG 3.38Å; A245-Q249 PolarHBondContact O-N 2.93Å; V246-Q249 WeakPolarHBondContact O-CB 3.44Å; V246-Q249 PolarHBondContact O-N 3.33Å
250G55.6Low71.9Confident24 Ų2490.2 Ų90.225%0.24746%0.463CS..THydrogen-bonded Turntrans85.920.8177.800000116.9A248A248-G250 PolarHBondContact O-N 3.42Å
251K62.8Low70.8Confident152 Ų15287.2 Ų87.266%0.66146%0.455SS*.SBendtrans-79.2144.7146.5-65.7-178.2179.8178.20108.2A248 K253A248-K251 PolarHBondContact O-N 3.44Å; A248-K251 VanDerWaalsContact O-N 3.13Å; K251-K253 PolarHBondContact O-N 3.34Å
252A52.9Low69.4Low48 Ų4884.8 Ų84.840%0.39745%0.451SS..  trans-55.8135.6168.400000109.4E109 K254E109-A252 WeakPolarHBondContact OE1-CB 3.28Å; A252-K254 PolarHBondContact O-N 3.17Å; A252-K254 VanDerWaalsContact O-N 3.17Å
253K51.1Low68.1Low207 Ų20790.9 Ų90.990%0.948%0.48SS*.  trans-68.5113.7165.9-77.2-173.5177.4-179.70105.7K251K251-K253 PolarHBondContact O-N 3.34Å
254K40.1Very low66.6Low275 Ų27592.1 Ų92.1100%1.19649%0.489SS*.  trans-65.70168.3-78.5-173175.7-175.60110.3A252A252-K254 PolarHBondContact O-N 3.17Å; A252-K254 VanDerWaalsContact O-N 3.17Å

Retrieved 254 of 254 residues in 958.1 ms (Link to these results)

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