A0A060WCX1_ONCMY Loading...

Large ribosomal subunit protein uL5

AlphaFold DB (B5XE05), UniProt , Accession A0A060WCX1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 178 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
1M37.8Very low53.4Low239 Ų239158.5 Ų158.5100%1.17782%0.818SS**  0108.40-77167.4166.800106.3E3M1-E3 PolarHBondContact O-N 3.21Å
2A34.5Very low56.4Low99 Ų99154.8 Ų154.882%0.81880%0.797SS**  trans-70.9114.2-175.700000109.3Q4A2-Q4 PolarHBondContact O-N 3.1Å; A2-Q4 VanDerWaalsContact O-N 3.1Å
3E37.4Very low58.9Low190 Ų190151.6 Ų151.689%0.88877%0.768SS**  trans-50.3114.6165.2-70.4178140.200108.2M1 G5M1-E3 PolarHBondContact O-N 3.21Å; E3-G5 PolarHBondContact O-N 2.87Å
4Q40.9Very low61.1Low193 Ų193151 Ų15190%0.90276%0.761SS**  trans-71.687.2170-73.5-176.15.400107A2 E6A2-Q4 PolarHBondContact O-N 3.1Å; A2-Q4 VanDerWaalsContact O-N 3.1Å; Q4-E6 PolarHBondContact O-N 3.38Å
5G37.6Very low63.3Low58 Ų58142.4 Ų142.460%0.59872%0.718SS**  trans-50.4134.2171.600000110.3E3 K7E3-G5 PolarHBondContact O-N 2.87Å; G5-K7 PolarHBondContact O-N 3.01Å
6E46.8Very low65.1Low197 Ų197142.3 Ų142.392%0.92171%0.707SS**  trans-51.797.2175.3-70.3179.8149.200109.5Q4 K8Q4-E6 PolarHBondContact O-N 3.38Å; E6-K8 PolarHBondContact O-N 2.8Å
7K49.2Very low66.9Low198 Ų198135.1 Ų135.186%0.86167%0.671SS**  trans-65.8109.1171.4-86176.1171.7166.60106.7G5 E9G5-K7 PolarHBondContact O-N 3.01Å; K7-E9 PolarHBondContact O-N 3.23Å
8K57.3Low68.5Low207 Ų207132.6 Ų132.690%0.965%0.652SS**  trans-35114.8167.4-82.9-177.4175179.20109.2E6 N10E6-K8 PolarHBondContact O-N 2.8Å; K8-N10 PolarHBondContact O-N 3Å
9E72.6Confident70Confident176 Ų176128.9 Ų128.982%0.82263%0.633SS**  trans-64.5123.6-174.6-152.6168.8-158.400108K7 P11K7-E9 PolarHBondContact O-N 3.23Å; E9-P11 VanDerWaalsContact O-CD 3.29Å; E9-P11 WeakPolarHBondContact O-CD 3.41Å
10N85.8Confident71.3Confident86 Ų86122.5 Ų122.546%0.4660%0.601SS.*  trans-64.5121.3-178.2-179.6-20.7000108.3K8 M12 R13K8-N10 PolarHBondContact O-N 3Å; N10-M12 PolarHBondContact O-N 2.91Å; N10-M12 WeakPolarHBondContact OD1-CB 3.38Å; N10-M12 PolarHBondContact OD1-N 2.87Å; N10-R13 HydrophobicContact CB-CG 4.23Å; N10-R13 WeakPolarHBondContact O-CB 3.44Å; N10-R13 PolarHBondContact O-N 3.26Å
11P87.2Confident72.6Confident100 Ų100118 Ų11865%0.64958%0.581SS**G310 helixtrans-54.7-30.6-178.4-26.534.4000113.1E9 R13 E14E9-P11 VanDerWaalsContact O-CD 3.29Å; E9-P11 WeakPolarHBondContact O-CD 3.41Å; P11-R13 PolarHBondContact O-N 2.97Å; P11-R13 VanDerWaalsContact O-N 3.12Å; P11-E14 WeakPolarHBondContact O-CB 3.27Å; P11-E14 PolarHBondContact O-N 3.44Å
12M89.4Confident75.3Confident115 Ų115106.7 Ų106.757%0.56753%0.526SS*.G310 helixtrans-73.1-1.3178.7-60.9-62.9-76.900114.1N10 P137N10-M12 PolarHBondContact O-N 2.91Å; N10-M12 WeakPolarHBondContact OD1-CB 3.38Å; N10-M12 PolarHBondContact OD1-N 2.87Å; M12-P137 HydrophobicContact CE-CB 3.64Å; M12-P137 WeakPolarHBondContact O-CD 3.46Å; M12-P137 HydrophobicContact SD-CB 4.22Å
13R88.9Confident78.3Confident113 Ų113104.3 Ų104.343%0.42650%0.499SS..G310 helixtrans-104.2-0.6174.8-69.7-170.2170.2-173.20.5113.8N10 P11 R136N10-R13 HydrophobicContact CB-CG 4.23Å; N10-R13 WeakPolarHBondContact O-CB 3.44Å; N10-R13 PolarHBondContact O-N 3.26Å; P11-R13 PolarHBondContact O-N 2.97Å; P11-R13 VanDerWaalsContact O-N 3.12Å; R13-R136 WeakPolarHBondContact O-CD 3.43Å; R13-R136 WeakPolarHBondContact O-CG 3.16Å; R13-R136 PolarHBondContact O-NE 3.42Å
14E90.8Very high81.1Confident143 Ų14395.5 Ų95.567%0.66846%0.458SS*.  trans-60.1138.7174.9-166.5179.4179.100111P11P11-E14 WeakPolarHBondContact O-CB 3.27Å; P11-E14 PolarHBondContact O-N 3.44Å
15L92.8Very high83.7Confident22 Ų2290 Ų9012%0.11544%0.441CS..  trans-82133.1177.9-80.979.5000109.7L134 I157 W165L15-L134 HydrophobicContact CD2-CD1 3.95Å; L15-I157 HydrophobicContact CD2-CD1 4.14Å; L15-I157 HydrophobicContact CD2-CG1 4.3Å; L15-I157 HydrophobicContact CD2-CG2 3.76Å; L15-I157 HydrophobicContact CG-CD1 4.2Å; L15-I157 HydrophobicContact CG-CG1 4.38Å; L15-W165 VanDerWaalsContact CB-CD1 3.44Å; L15-W165 HydrophobicContact CB-CG 3.96Å; L15-W165 HydrophobicContact CD2-CB 4.06Å; L15-W165 HydrophobicContact CD2-CG 4.15Å; L15-W165 PolarHBondContact O-NE1 3.24Å
16R93.4Very high86.3Confident141 Ų14188.6 Ų88.653%0.53242%0.42SS..EExtended strand (participates in β ladder)trans-132.1159.9173.361.2179.1-177.5-176.82.9111R18 G135R16-R18 PolarHBondContact O-N 3.04Å; R16-G135 VanDerWaalsContact CG-O 3.3Å; R16-G135 WeakPolarHBondContact CG-O 3.31Å; R16-G135 PolarHBondContact N-O 2.99Å; R16-G135 PolarHBondContact O-N 3.09Å
17I95.3Very high88.5Confident19 Ų1980.4 Ų80.410%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-70.9116.2171.2-56.1-174.5000108.2E80 L83 V132 L134 W165I17-E80 HydrophobicContact CD1-CG 3.74Å; I17-L83 HydrophobicContact CD1-CD2 3.48Å; I17-L83 VanDerWaalsContact CD1-CD2 3.48Å; I17-V132 HydrophobicContact CG1-CG1 4.48Å; I17-V132 HydrophobicContact CG2-CG1 4.17Å; I17-L134 HydrophobicContact CG1-CD2 4.35Å; I17-W165 HydrophobicContact CD1-CH2 4.03Å; I17-W165 HydrophobicContact CG1-CH2 3.63Å; I17-W165 HydrophobicContact CG1-CZ2 4Å
18R95.3Very high90.5Very high90 Ų9075 Ų7534%0.3437%0.366SS..EExtended strand (participates in β ladder)trans-80.7-44.2178-176.2179174.7171.82.9111R16 V133 D143R16-R18 PolarHBondContact O-N 3.04Å; R18-V133 WeakPolarHBondContact CA-O 3.47Å; R18-V133 HydrophobicContact CB-CG1 4.35Å; R18-V133 VanDerWaalsContact CB-O 3.31Å; R18-V133 WeakPolarHBondContact CB-O 3.34Å; R18-V133 PolarHBondContact N-O 3.16Å; R18-D143 IonicContact CZ-OD2 3.47Å; R18-D143 VanDerWaalsContact CZ-OD2 3.29Å; R18-D143 IonicContact NH1-OD2 2.75Å; R18-D143 PolarHBondContact NH1-OD2 3.37Å; R18-D143 IonicContact NH2-OD2 3.29Å; R18-D143 PolarHBondContact NH2-OD2 3.31Å
19K96.6Very high92.1Very high64 Ų6467.8 Ų67.828%0.27834%0.342SS..EExtended strand (participates in β ladder)trans-162.1150.4175.359.3177.4-174.7171.20109.9T73 R75 V133K19-T73 HydrophobicContact CB-CG2 3.83Å; K19-T73 HydrophobicContact CD-CG2 3.87Å; K19-T73 HydrophobicContact CG-CG2 4.36Å; K19-R75 HydrophobicContact CB-CG 3.81Å; K19-V133 HydrophobicContact CD-CG2 4.49Å; K19-V133 HydrophobicContact CG-CB 3.77Å; K19-V133 HydrophobicContact CG-CG1 4.46Å; K19-V133 HydrophobicContact CG-CG2 3.98Å; K19-V133 PolarHBondContact N-O 2.89Å; K19-V133 PolarHBondContact O-N 3.32Å
20L97.1Very high92.9Very high0 Ų061.4 Ų61.40%032%0.324CS..EExtended strand (participates in β ladder)trans-105.8121.8165177.868.4000107.8M22 T73 V74 A79 I82 L83 F130 V132L20-M22 HydrophobicContact CD2-CG 4.16Å; L20-M22 HydrophobicContact CD2-SD 4.1Å; L20-M22 HydrophobicContact CG-CG 4.04Å; L20-T73 CarbonylContact O-C 3.44Å; L20-T73 WeakPolarHBondContact O-CA 3.4Å; L20-V74 PolarHBondContact N-O 3.05Å; L20-V74 PolarHBondContact O-N 3.33Å; L20-A79 HydrophobicContact CB-CB 3.9Å; L20-I82 HydrophobicContact CD2-CB 4.1Å; L20-I82 HydrophobicContact CD2-CG2 3.72Å; L20-L83 HydrophobicContact CD1-CD1 4.46Å; L20-L83 HydrophobicContact CD2-CB 4.48Å; L20-F130 HydrophobicContact CD1-CB 4.35Å; L20-F130 HydrophobicContact CD1-CD1 4.03Å; L20-F130 HydrophobicContact CD2-CD1 4.13Å; L20-F130 HydrophobicContact CD2-CE1 4.44Å; L20-V132 HydrophobicContact CD1-CG2 3.69Å
21C97.4Very high93.3Very high28 Ų2862.7 Ų62.719%0.18933%0.33CS..EExtended strand (participates in β ladder)trans-101.8129.6172.5-67.20000108.6T73 Y131C21-T73 PolarHBondContact SG-OG1 2.72Å; C21-Y131 PolarHBondContact N-O 3.21Å; C21-Y131 PolarHBondContact O-N 2.69Å
22M96Very high93.5Very high1 Ų163.9 Ų63.91%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-119.4131.3-178.2-54.8-176.769.700108.3L20 L40 L43 T44 H71 C72 V74 I82 L128 D129 F130L20-M22 HydrophobicContact CD2-CG 4.16Å; L20-M22 HydrophobicContact CD2-SD 4.1Å; L20-M22 HydrophobicContact CG-CG 4.04Å; M22-L40 HydrophobicContact CB-CD2 3.97Å; M22-L40 HydrophobicContact CE-CD2 4.48Å; M22-L43 HydrophobicContact CE-CD2 3.26Å; M22-L43 HydrophobicContact CE-CG 4.14Å; M22-T44 HydrophobicContact SD-CG2 3.56Å; M22-T44 VanDerWaalsContact SD-CG2 3.56Å; M22-H71 CarbonylContact O-C 3.28Å; M22-H71 WeakPolarHBondContact O-CA 3.46Å; M22-H71 VanDerWaalsContact O-CB 3.31Å; M22-H71 WeakPolarHBondContact O-CB 3.48Å; M22-C72 PolarHBondContact N-O 3.03Å; M22-C72 PolarHBondContact O-N 3.12Å; M22-V74 HydrophobicContact SD-CG2 4.29Å; M22-I82 HydrophobicContact CE-CG2 3.78Å; M22-I82 HydrophobicContact SD-CG2 3.76Å; M22-L128 HydrophobicContact CB-CD1 4.29Å; M22-L128 HydrophobicContact CE-CD1 4.27Å; M22-L128 HydrophobicContact CE-CD2 3.58Å; M22-L128 HydrophobicContact CE-CG 4.28Å; M22-D129 WeakPolarHBondContact CA-O 3.45Å; M22-F130 HydrophobicContact CE-CD1 4.16Å; M22-F130 HydrophobicContact CE-CE1 3.46Å; M22-F130 VanDerWaalsContact CE-CE1 3.46Å; M22-F130 HydrophobicContact CE-CE2 4.46Å; M22-F130 HydrophobicContact CE-CZ 3.63Å; M22-F130 HydrophobicContact SD-CE1 4.48Å
23N96.6Very high93.7Very high50 Ų5058.6 Ų58.627%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-136.3134.2-174.4175.768.6000111.2H71 D129N23-H71 HydrophobicContact CB-CB 4.38Å; N23-D129 HydrophobicContact CB-CB 4.35Å; N23-D129 PolarHBondContact N-O 3.25Å; N23-D129 PolarHBondContact O-N 3Å
24I96.4Very high94Very high4 Ų456.5 Ų56.52%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-120116.4166.7-56.3-179000107.2V26 A36 L40 A69 V70 Y126 L128I24-V26 HydrophobicContact CG2-CG2 3.99Å; I24-A36 HydrophobicContact CD1-CB 4.44Å; I24-A36 HydrophobicContact CG2-CB 4.03Å; I24-L40 HydrophobicContact CB-CD1 4.47Å; I24-L40 HydrophobicContact CD1-CD1 4.11Å; I24-L40 HydrophobicContact CD1-CD2 4.28Å; I24-L40 HydrophobicContact CD1-CG 3.73Å; I24-L40 HydrophobicContact CG1-CD1 4.03Å; I24-L40 HydrophobicContact CG1-CD2 4.37Å; I24-L40 HydrophobicContact CG1-CG 4.08Å; I24-A69 WeakPolarHBondContact O-CA 3.39Å; I24-A69 WeakPolarHBondContact O-CB 3.34Å; I24-V70 HydrophobicContact CB-CG1 4.03Å; I24-V70 PolarHBondContact N-O 3.22Å; I24-V70 PolarHBondContact O-N 3.39Å; I24-Y126 HydrophobicContact CG2-CD1 4.23Å; I24-L128 HydrophobicContact CD1-CD1 4.02Å; I24-L128 HydrophobicContact CG1-CD1 3.48Å; I24-L128 VanDerWaalsContact CG1-CD1 3.48Å
25C95.1Very high94.2Very high79 Ų7954.7 Ų54.753%0.53428%0.283SS..EExtended strand (participates in β ladder)trans-101.4115.5172-166.30000109A69C25-A69 HydrophobicContact CB-CB 4.23Å
26V93.1Very high94.2Very high28 Ų2853.6 Ų53.617%0.1728%0.277CS..  trans-96.1-29.4-179.2-172.40000110.6I24 E28 R32 L33 A36 I68 Y126I24-V26 HydrophobicContact CG2-CG2 3.99Å; V26-E28 VanDerWaalsContact C-N 3.29Å; V26-E28 HydrophobicContact CG1-CG 3.9Å; V26-E28 PolarHBondContact O-N 2.75Å; V26-R32 HydrophobicContact CG1-CB 4.03Å; V26-R32 VanDerWaalsContact CG1-CD 3.47Å; V26-R32 HydrophobicContact CG1-CG 3.66Å; V26-L33 HydrophobicContact CB-CD1 4.4Å; V26-L33 HydrophobicContact CG2-CD1 4.02Å; V26-A36 HydrophobicContact CG2-CB 3.9Å; V26-I68 PolarHBondContact N-O 3.11Å; V26-I68 VanDerWaalsContact N-O 3.13Å; V26-Y126 HydrophobicContact CG2-CE1 4.33Å
27G91.3Very high94.3Very high25 Ų2547.3 Ų47.326%0.25826%0.255SS..SBendtrans85.4-3176.900000114.5I62 I68G27-I62 WeakPolarHBondContact O-CG1 3.46Å; G27-I68 PolarHBondContact N-O 2.97Å; G27-I68 VanDerWaalsContact N-O 3.13Å
28E91.4Very high94.2Very high84 Ų8452.2 Ų52.239%0.39328%0.276SS..SBendtrans-138.6157.4177.758.7-175.5174.700110.7V26 R32V26-E28 VanDerWaalsContact C-N 3.29Å; V26-E28 HydrophobicContact CG1-CG 3.9Å; V26-E28 PolarHBondContact O-N 2.75Å; E28-R32 WeakPolarHBondContact OE1-CD 3.5Å; E28-R32 IonicContact OE1-NH1 3.68Å; E28-R32 PolarHBondContact OE1-NH1 3.06Å
29S90.7Very high94.1Very high55 Ų5548 Ų4839%0.38526%0.26SS..  trans-87175.1168.862.90000111.7E66 K67S29-E66 VanDerWaalsContact CB-OE1 3.27Å; S29-E66 WeakPolarHBondContact CB-OE1 3.44Å; S29-E66 PolarHBondContact OG-OE1 3.03Å; S29-K67 WeakPolarHBondContact CA-O 3.27Å; S29-K67 WeakPolarHBondContact CB-O 3.49Å
30G91.3Very high94Very high43 Ų4345 Ų4544%0.44325%0.247SC..SBendtrans98.1-153.1176.300000114.1R32 L33 T34G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 3.33Å; G30-L33 PolarHBondContact O-N 3.12Å; G30-T34 PolarHBondContact O-N 3.13Å
31D92.5Very high93.9Very high112 Ų11249 Ų4960%0.59927%0.266SS*.Hα-helixtrans-66.5-32.6-166.5-69.1-16.7000113.7L33 T34 R35D31-L33 VanDerWaalsContact C-N 3.27Å; D31-L33 PolarHBondContact O-N 3.46Å; D31-T34 WeakPolarHBondContact CA-OG1 3.34Å; D31-T34 PolarHBondContact O-N 3.25Å; D31-T34 PolarHBondContact O-OG1 2.91Å; D31-R35 VanDerWaalsContact O-CG 3.26Å; D31-R35 WeakPolarHBondContact O-CG 3.46Å; D31-R35 PolarHBondContact O-N 2.91Å
32R92.6Very high93.6Very high125 Ų12553.5 Ų53.547%0.47228%0.284SS..Hα-helixtrans-64-38.2178.6-161.7179-179.1179.3-0.9111.4V26 E28 G30 R35 A36 Y126V26-R32 HydrophobicContact CG1-CB 4.03Å; V26-R32 VanDerWaalsContact CG1-CD 3.47Å; V26-R32 HydrophobicContact CG1-CG 3.66Å; E28-R32 WeakPolarHBondContact OE1-CD 3.5Å; E28-R32 IonicContact OE1-NH1 3.68Å; E28-R32 PolarHBondContact OE1-NH1 3.06Å; G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 3.33Å; R32-R35 PolarHBondContact O-N 3.36Å; R32-A36 PolarHBondContact O-N 2.96Å; R32-Y126 HydrophobicContact CG-CE1 3.79Å; R32-Y126 WeakPolarHBondContact CG-OH 3.37Å; R32-Y126 PolarHBondContact O-OH 3.13Å
33L94.2Very high93.4Very high5 Ų554.5 Ų54.53%0.02629%0.289CS..Hα-helixtrans-70.4-36.4176.8-173.664.5000112.3V26 G30 D31 A36 A37 F50 K67 V70V26-L33 HydrophobicContact CB-CD1 4.4Å; V26-L33 HydrophobicContact CG2-CD1 4.02Å; G30-L33 PolarHBondContact O-N 3.12Å; D31-L33 VanDerWaalsContact C-N 3.27Å; D31-L33 PolarHBondContact O-N 3.46Å; L33-A36 PolarHBondContact O-N 3.44Å; L33-A37 PolarHBondContact O-N 2.85Å; L33-F50 HydrophobicContact CD2-CD1 3.88Å; L33-F50 HydrophobicContact CD2-CE1 4.28Å; L33-F50 HydrophobicContact CG-CD1 3.97Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; L33-K67 HydrophobicContact CD2-CB 3.57Å; L33-K67 WeakPolarHBondContact CD2-O 3.39Å; L33-V70 HydrophobicContact CD1-CB 4.23Å; L33-V70 HydrophobicContact CD1-CG1 4.14Å
34T94.2Very high93.2Very high69 Ų6952.3 Ų52.342%0.42328%0.278SS..Hα-helixtrans-70.2-34.4176.461.80000111.8G30 D31 A37 K38G30-T34 PolarHBondContact O-N 3.13Å; D31-T34 WeakPolarHBondContact CA-OG1 3.34Å; D31-T34 PolarHBondContact O-N 3.25Å; D31-T34 PolarHBondContact O-OG1 2.91Å; T34-A37 WeakPolarHBondContact O-CB 3.38Å; T34-A37 PolarHBondContact O-N 3.02Å; T34-K38 PolarHBondContact O-N 2.98Å
35R94.1Very high93Very high104 Ų10454.9 Ų54.939%0.39231%0.305SS..Hα-helixtrans-66-45171.6-68.8169.2-166.3-167.612.9111.9D31 R32 A37 K38 V39 S122 I123 Y126D31-R35 VanDerWaalsContact O-CG 3.26Å; D31-R35 WeakPolarHBondContact O-CG 3.46Å; D31-R35 PolarHBondContact O-N 2.91Å; R32-R35 PolarHBondContact O-N 3.36Å; R35-A37 PolarHBondContact O-N 3.32Å; R35-K38 WeakPolarHBondContact O-CB 3.17Å; R35-K38 PolarHBondContact O-N 2.89Å; R35-V39 PolarHBondContact O-N 3.46Å; R35-V39 VanDerWaalsContact O-N 3.15Å; R35-S122 VanDerWaalsContact CD-O 3.28Å; R35-S122 WeakPolarHBondContact CD-O 3.45Å; R35-S122 VanDerWaalsContact CZ-O 3.25Å; R35-S122 PolarHBondContact NE-O 3.48Å; R35-S122 PolarHBondContact NH1-O 3.47Å; R35-I123 HydrophobicContact CB-CG2 4.42Å; R35-Y126 HydrophobicContact CB-CE2 4.46Å
36A94.5Very high92.9Very high0 Ų054.7 Ų54.70%030%0.297CS..Hα-helixtrans-58.6-36.1174.200000112.5I24 V26 R32 L33 V39 L40 V70 Y126I24-A36 HydrophobicContact CD1-CB 4.44Å; I24-A36 HydrophobicContact CG2-CB 4.03Å; V26-A36 HydrophobicContact CG2-CB 3.9Å; R32-A36 PolarHBondContact O-N 2.96Å; L33-A36 PolarHBondContact O-N 3.44Å; A36-V39 PolarHBondContact O-N 3.01Å; A36-L40 PolarHBondContact O-N 3.15Å; A36-L40 VanDerWaalsContact O-N 3.16Å; A36-V70 HydrophobicContact CB-CG1 3.96Å; A36-Y126 HydrophobicContact CB-CD1 4.16Å; A36-Y126 HydrophobicContact CB-CE1 4.02Å; A36-Y126 HydrophobicContact CB-CE2 4.49Å; A36-Y126 HydrophobicContact CB-CG 4.47Å
37A95Very high93Very high8 Ų858.9 Ų58.97%0.06632%0.322CS..Hα-helixtrans-62.5-42.1174.200000112.2L33 T34 R35 V39 L40 E41 P48 F50 V70L33-A37 PolarHBondContact O-N 2.85Å; T34-A37 WeakPolarHBondContact O-CB 3.38Å; T34-A37 PolarHBondContact O-N 3.02Å; R35-A37 PolarHBondContact O-N 3.32Å; A37-V39 VanDerWaalsContact C-N 3.32Å; A37-V39 PolarHBondContact O-N 2.96Å; A37-L40 PolarHBondContact O-N 2.8Å; A37-E41 WeakPolarHBondContact O-CB 3.05Å; A37-E41 PolarHBondContact O-N 3.36Å; A37-P48 HydrophobicContact CB-CG 3.88Å; A37-P48 WeakPolarHBondContact O-CG 3.21Å; A37-F50 HydrophobicContact CB-CE1 3.92Å; A37-F50 HydrophobicContact CB-CZ 3.71Å; A37-V70 HydrophobicContact CB-CG2 3.97Å
38K93.6Very high93.3Very high123 Ų12358.6 Ų58.654%0.53532%0.316SS..Hα-helixtrans-61.7-38.4175.6-68.4-179.8176.8-177.20112.4T34 R35 E41 Q42T34-K38 PolarHBondContact O-N 2.98Å; R35-K38 WeakPolarHBondContact O-CB 3.17Å; R35-K38 PolarHBondContact O-N 2.89Å; K38-E41 PolarHBondContact O-N 3.37Å; K38-Q42 WeakPolarHBondContact O-CB 3.29Å; K38-Q42 WeakPolarHBondContact O-CG 3.31Å; K38-Q42 PolarHBondContact O-N 3.38Å
39V93.5Very high93.6Very high2 Ų258.7 Ų58.71%0.01232%0.322CS..Hα-helixtrans-62.1-47.7176.3175.60000111.3R35 A36 A37 E41 Q42 L43 H112 I117 I123 Y126R35-V39 PolarHBondContact O-N 3.46Å; R35-V39 VanDerWaalsContact O-N 3.15Å; A36-V39 PolarHBondContact O-N 3.01Å; A37-V39 VanDerWaalsContact C-N 3.32Å; A37-V39 PolarHBondContact O-N 2.96Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.2Å; V39-Q42 PolarHBondContact O-N 3.04Å; V39-L43 WeakPolarHBondContact O-CB 3.45Å; V39-L43 PolarHBondContact O-N 2.9Å; V39-H112 HydrophobicContact CG1-CB 4.18Å; V39-I117 HydrophobicContact CG1-CD1 4.23Å; V39-I123 HydrophobicContact CG2-CG2 3.26Å; V39-Y126 HydrophobicContact CG2-CD2 4.1Å; V39-Y126 HydrophobicContact CG2-CE2 4.44Å
40L93.4Very high93.8Very high0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-64.1-37.2176.9-83.8173.8000112.4M22 I24 A36 A37 L43 T44 P48 V70 L128M22-L40 HydrophobicContact CB-CD2 3.97Å; M22-L40 HydrophobicContact CE-CD2 4.48Å; I24-L40 HydrophobicContact CB-CD1 4.47Å; I24-L40 HydrophobicContact CD1-CD1 4.11Å; I24-L40 HydrophobicContact CD1-CD2 4.28Å; I24-L40 HydrophobicContact CD1-CG 3.73Å; I24-L40 HydrophobicContact CG1-CD1 4.03Å; I24-L40 HydrophobicContact CG1-CD2 4.37Å; I24-L40 HydrophobicContact CG1-CG 4.08Å; A36-L40 PolarHBondContact O-N 3.15Å; A36-L40 VanDerWaalsContact O-N 3.16Å; A37-L40 PolarHBondContact O-N 2.8Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-T44 WeakPolarHBondContact O-CB 3.32Å; L40-T44 WeakPolarHBondContact O-CG2 3.46Å; L40-T44 PolarHBondContact O-N 2.95Å; L40-T44 PolarHBondContact O-OG1 2.78Å; L40-P48 HydrophobicContact CB-CB 4.25Å; L40-P48 HydrophobicContact CB-CG 4.39Å; L40-P48 HydrophobicContact CD1-CB 4.44Å; L40-V70 HydrophobicContact CD1-CB 4.26Å; L40-V70 HydrophobicContact CD1-CG1 3.75Å; L40-V70 HydrophobicContact CD1-CG2 3.88Å; L40-V70 WeakPolarHBondContact CD1-O 3.42Å; L40-L128 HydrophobicContact CD2-CD1 3.67Å
41E94.3Very high94.1Very high85 Ų8559.1 Ų59.140%0.39731%0.31SS..Hα-helixtrans-64.9-43.7175.9-173.9169.7-159.200111.5A37 K38 V39 L43 T44 G45 Q46A37-E41 WeakPolarHBondContact O-CB 3.05Å; A37-E41 PolarHBondContact O-N 3.36Å; K38-E41 PolarHBondContact O-N 3.37Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.2Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.31Å; E41-T44 PolarHBondContact O-N 3.27Å; E41-G45 WeakPolarHBondContact O-CA 3.18Å; E41-G45 PolarHBondContact O-N 3.33Å; E41-Q46 WeakPolarHBondContact CA-O 3.45Å
42Q92.1Very high94.2Very high121 Ų12160.1 Ų60.157%0.56531%0.309SS*.Hα-helixtrans-62.2-39.3174.9-75.5177.1-12.200112.3K38 V39K38-Q42 WeakPolarHBondContact O-CB 3.29Å; K38-Q42 WeakPolarHBondContact O-CG 3.31Å; K38-Q42 PolarHBondContact O-N 3.38Å; V39-Q42 PolarHBondContact O-N 3.04Å
43L91.7Very high94.4Very high23 Ų2354.4 Ų54.412%0.1229%0.288CS..Hα-helixtrans-73.4-39.6-179.4-170.461000112.8M22 V39 L40 E41 I82 L115 I117 L128M22-L43 HydrophobicContact CE-CD2 3.26Å; M22-L43 HydrophobicContact CE-CG 4.14Å; V39-L43 WeakPolarHBondContact O-CB 3.45Å; V39-L43 PolarHBondContact O-N 2.9Å; L40-L43 PolarHBondContact O-N 3.2Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.31Å; L43-I82 WeakPolarHBondContact O-CD1 3.42Å; L43-L115 HydrophobicContact CD1-CB 4.27Å; L43-L115 HydrophobicContact CD1-CD1 4.48Å; L43-L115 HydrophobicContact CD2-CD1 3.91Å; L43-I117 HydrophobicContact CB-CD1 4.01Å; L43-I117 HydrophobicContact CD1-CD1 4.03Å; L43-I117 HydrophobicContact CD1-CG1 4.45Å; L43-I117 HydrophobicContact CG-CD1 4.47Å; L43-L128 HydrophobicContact CD2-CD2 3.65Å
44T91.9Very high94.5Very high4 Ų463.4 Ų63.43%0.02532%0.322CS..Hα-helixtrans-101.4-19.4-171.664.40000114.3M22 L40 E41 Q46 C72 V74 I82M22-T44 HydrophobicContact SD-CG2 3.56Å; M22-T44 VanDerWaalsContact SD-CG2 3.56Å; L40-T44 WeakPolarHBondContact O-CB 3.32Å; L40-T44 WeakPolarHBondContact O-CG2 3.46Å; L40-T44 PolarHBondContact O-N 2.95Å; L40-T44 PolarHBondContact O-OG1 2.78Å; E41-T44 PolarHBondContact O-N 3.27Å; T44-Q46 PolarHBondContact O-N 3.07Å; T44-Q46 PolarHBondContact OG1-N 2.91Å; T44-C72 HydrophobicContact CG2-CB 4.18Å; T44-C72 PolarHBondContact OG1-SG 3.3Å; T44-V74 HydrophobicContact CG2-CG2 3.58Å; T44-I82 HydrophobicContact CG2-CD1 4.27Å
45G92.3Very high94.5Very high58 Ų5867.9 Ų67.960%0.59833%0.332SS*.SBendtrans65.522.1-171.400000113.7E41E41-G45 WeakPolarHBondContact O-CA 3.18Å; E41-G45 PolarHBondContact O-N 3.33Å
46Q93.8Very high94.5Very high75 Ų7567 Ų6735%0.3534%0.338SS..SBendtrans-131.3147.2-178-62.4178.235.300110.1E41 T44 P48E41-Q46 WeakPolarHBondContact CA-O 3.45Å; T44-Q46 PolarHBondContact O-N 3.07Å; T44-Q46 PolarHBondContact OG1-N 2.91Å; Q46-P48 WeakPolarHBondContact O-CD 3.48Å
47T95.1Very high94.5Very high115 Ų11569.4 Ų69.471%0.70635%0.353SS*.PPolyproline II helixtrans-69.1118.9174.647.40000109.9
48P96.9Very high94.4Very high19 Ų1980.2 Ų80.212%0.12339%0.392CS..PPolyproline II helixtrans-82.4161.6-174.835.6-38.3000111.8A37 L40 Q46 V70 C72A37-P48 HydrophobicContact CB-CG 3.88Å; A37-P48 WeakPolarHBondContact O-CG 3.21Å; L40-P48 HydrophobicContact CB-CB 4.25Å; L40-P48 HydrophobicContact CB-CG 4.39Å; L40-P48 HydrophobicContact CD1-CB 4.44Å; Q46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-V70 HydrophobicContact CB-CG2 3.49Å; P48-V70 VanDerWaalsContact CB-CG2 3.49Å; P48-V70 HydrophobicContact CG-CG2 3.65Å; P48-C72 HydrophobicContact CB-CB 4.33Å
49V97.1Very high94.5Very high86 Ų8679.3 Ų79.352%0.52140%0.401SS..EExtended strand (participates in β ladder)trans-102.4130.5-177-178.60000110.7V70 H71V49-V70 WeakPolarHBondContact O-CA 2.99Å; V49-H71 PolarHBondContact N-O 2.82Å; V49-H71 PolarHBondContact O-N 3.07Å; V49-H71 PolarHBondContact O-ND1 3.4Å; V49-H71 VanDerWaalsContact O-ND1 3.13Å
50F96.7Very high94.4Very high70 Ų7086.5 Ų86.531%0.30743%0.432SS..EExtended strand (participates in β ladder)trans-79.6123.7175.5-64.2-83.3000111.6L33 A37 K67 V70L33-F50 HydrophobicContact CD2-CD1 3.88Å; L33-F50 HydrophobicContact CD2-CE1 4.28Å; L33-F50 HydrophobicContact CG-CD1 3.97Å; L33-F50 HydrophobicContact CG-CE1 3.97Å; A37-F50 HydrophobicContact CB-CE1 3.92Å; A37-F50 HydrophobicContact CB-CZ 3.71Å; F50-K67 HydrophobicContact CB-CD 3.87Å; F50-K67 HydrophobicContact CB-CG 4.2Å; F50-K67 HydrophobicContact CD1-CD 4.36Å; F50-K67 HydrophobicContact CG-CD 4.1Å; F50-V70 HydrophobicContact CD1-CB 4.44Å
51S96.3Very high94.4Very high38 Ų3889.1 Ų89.127%0.26646%0.46SS..EExtended strand (participates in β ladder)trans-90.4135.7175-69.50000111.1K67 I68 A69 H71S51-K67 WeakPolarHBondContact O-CA 3.38Å; S51-I68 PolarHBondContact O-N 3.12Å; S51-A69 PolarHBondContact N-O 2.87Å; S51-H71 PolarHBondContact OG-CE1 3.23Å; S51-H71 VanDerWaalsContact OG-CE1 3.25Å; S51-H71 PolarHBondContact OG-ND1 3.02Å
52K95.6Very high94.4Very high132 Ų13286.2 Ų86.257%0.57445%0.447SS*.EExtended strand (participates in β ladder)trans-99.7146.9178.7-61179.5-175.8179.40111.5E66 K67K52-E66 CarbonylContact C-O 3.46Å; K52-E66 WeakPolarHBondContact CA-O 3.28Å; K52-K67 HydrophobicContact CG-CG 4.3Å
53A96.4Very high94.4Very high5 Ų589.2 Ų89.24%0.04145%0.453CS..PPolyproline II helixtrans-67.8131.8172.100000111.2I62 R63 N65 E66 I68A53-I62 HydrophobicContact CB-CG2 3.28Å; A53-R63 WeakPolarHBondContact CB-O 3.41Å; A53-N65 PolarHBondContact O-N 2.96Å; A53-E66 PolarHBondContact N-O 2.99Å; A53-I68 HydrophobicContact CB-CD1 3.96Å; A53-I68 HydrophobicContact CB-CG1 4.32Å; A53-I68 HydrophobicContact CB-CG2 4.03Å
54R95.2Very high94.6Very high194 Ų19496.4 Ų96.473%0.73248%0.478SS*.SBendtrans-84.3-29.6175.2-65.6-174.471.7-169.21.5112.8
55Y94.4Very high94.7Very high164 Ų164101.2 Ų101.264%0.64350%0.504SS*.SBendtrans-120.7148.7-175.4-57.4-73.5000110.5
56T94.9Very high94.8Very high84 Ų84100.5 Ų100.552%0.51549%0.485SS..  trans-89.9121167.6-60.60000107.8I62 R64T56-I62 WeakPolarHBondContact CA-O 3.4Å; T56-R64 WeakPolarHBondContact OG1-CB 3.49Å; T56-R64 PolarHBondContact OG1-N 3.42Å
57V94.1Very high94.9Very high52 Ų52101.6 Ų101.632%0.31549%0.489SS..BIsolated β-bridgetrans-130.2104.1179.7-1780000108S59 F60 G61 I62V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 VanDerWaalsContact CG1-OG 3.28Å; V57-S59 WeakPolarHBondContact CG1-OG 3.36Å; V57-S59 PolarHBondContact O-N 3.07Å; V57-F60 HydrophobicContact CB-CD2 4.09Å; V57-F60 HydrophobicContact CG1-CB 4.43Å; V57-F60 HydrophobicContact CG1-CD2 3.56Å; V57-F60 HydrophobicContact CG1-CE2 4.08Å; V57-F60 HydrophobicContact CG1-CG 4.15Å; V57-F60 PolarHBondContact O-N 3.34Å; V57-G61 PolarHBondContact O-N 3.01Å; V57-I62 PolarHBondContact N-O 3.05Å; V57-I62 PolarHBondContact O-N 3.05Å
58R93.8Very high94.9Very high235 Ų23597.4 Ų97.489%0.88746%0.462SS*.G310 helixtrans-64-34.1-173.4-69.3-174.2-175.6175.91.7113F60 G61R58-F60 PolarHBondContact O-N 3.44Å; R58-G61 PolarHBondContact O-N 2.9Å
59S95.7Very high94.9Very high103 Ų10396.8 Ų96.872%0.7246%0.458SS*.G310 helixtrans-63-28.6178.250.40000113.3V57V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 VanDerWaalsContact CG1-OG 3.28Å; V57-S59 WeakPolarHBondContact CG1-OG 3.36Å; V57-S59 PolarHBondContact O-N 3.07Å
60F91.8Very high94.9Very high153 Ų15392.7 Ų92.767%0.67143%0.433SS*.G310 helixtrans-96.5-0.5175.1-59.4-38.5000113.2V57 R58 I62V57-F60 HydrophobicContact CB-CD2 4.09Å; V57-F60 HydrophobicContact CG1-CB 4.43Å; V57-F60 HydrophobicContact CG1-CD2 3.56Å; V57-F60 HydrophobicContact CG1-CE2 4.08Å; V57-F60 HydrophobicContact CG1-CG 4.15Å; V57-F60 PolarHBondContact O-N 3.34Å; R58-F60 PolarHBondContact O-N 3.44Å; F60-I62 HydrophobicContact CB-CD1 3.89Å; F60-I62 HydrophobicContact CB-CG1 4.12Å; F60-I62 PolarHBondContact O-N 2.81Å
61G92.1Very high94.9Very high56 Ų5692.3 Ų92.358%0.57743%0.432SS*.THydrogen-bonded Turntrans71.67.8-176.200000115.1V57 R58V57-G61 PolarHBondContact O-N 3.01Å; R58-G61 PolarHBondContact O-N 2.9Å
62I94Very high94.9Very high24 Ų2490.9 Ų90.912%0.12342%0.422CS..BIsolated β-bridgetrans-91.7134.9-171.6-64.2167.9000111.6G27 A53 T56 V57 F60 I68G27-I62 WeakPolarHBondContact O-CG1 3.46Å; A53-I62 HydrophobicContact CB-CG2 3.28Å; T56-I62 WeakPolarHBondContact CA-O 3.4Å; V57-I62 PolarHBondContact N-O 3.05Å; V57-I62 PolarHBondContact O-N 3.05Å; F60-I62 HydrophobicContact CB-CD1 3.89Å; F60-I62 HydrophobicContact CB-CG1 4.12Å; F60-I62 PolarHBondContact O-N 2.81Å; I62-I68 HydrophobicContact CD1-CG2 4.34Å; I62-I68 HydrophobicContact CG1-CG2 4.15Å; I62-I68 HydrophobicContact CG2-CG2 3.79Å
63R93.8Very high95Very high183 Ų18386.7 Ų86.769%0.69141%0.408SS*.  trans-105.7150.4172.4-58.6-178-179-165.90.8112.3A53 N65 E66A53-R63 WeakPolarHBondContact CB-O 3.41Å; R63-N65 PolarHBondContact O-N 3.49Å; R63-E66 HydrophobicContact CB-CB 4.41Å; R63-E66 WeakPolarHBondContact CB-OE2 3.45Å; R63-E66 PolarHBondContact N-OE2 3.23Å; R63-E66 WeakPolarHBondContact O-CB 3.37Å; R63-E66 PolarHBondContact O-N 3.41Å; R63-E66 VanDerWaalsContact O-N 3.15Å
64R94.8Very high95Very high174 Ų17486.4 Ų86.466%0.65741%0.406SS*.THydrogen-bonded Turntrans-57.1138.2175.6-175.9173.3-177.6-173.70.9111.2T56 E66T56-R64 WeakPolarHBondContact OG1-CB 3.49Å; T56-R64 PolarHBondContact OG1-N 3.42Å; R64-E66 PolarHBondContact O-N 2.69Å
65N94.4Very high95Very high106 Ų10685.2 Ų85.257%0.56740%0.401SS*.THydrogen-bonded Turntrans66.42.1-176.6-59.4-36.8000115.9A53 R63A53-N65 PolarHBondContact O-N 2.96Å; R63-N65 PolarHBondContact O-N 3.49Å
66E94.3Very high95Very high42 Ų4279.7 Ų79.720%0.19639%0.394CS..  trans-67.8140.6171.3-171.3170.7-175.500110.5S29 K52 A53 R63 R64 I68S29-E66 VanDerWaalsContact CB-OE1 3.27Å; S29-E66 WeakPolarHBondContact CB-OE1 3.44Å; S29-E66 PolarHBondContact OG-OE1 3.03Å; K52-E66 CarbonylContact C-O 3.46Å; K52-E66 WeakPolarHBondContact CA-O 3.28Å; A53-E66 PolarHBondContact N-O 2.99Å; R63-E66 HydrophobicContact CB-CB 4.41Å; R63-E66 WeakPolarHBondContact CB-OE2 3.45Å; R63-E66 PolarHBondContact N-OE2 3.23Å; R63-E66 WeakPolarHBondContact O-CB 3.37Å; R63-E66 PolarHBondContact O-N 3.41Å; R63-E66 VanDerWaalsContact O-N 3.15Å; R64-E66 PolarHBondContact O-N 2.69Å; E66-I68 HydrophobicContact CG-CG2 4.5Å; E66-I68 PolarHBondContact O-N 2.97Å
67K96.1Very high95Very high99 Ų9978.8 Ų78.843%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-77.3123.2174.7-64.3176.6178.2178.50108.3S29 L33 F50 S51 K52S29-K67 WeakPolarHBondContact CA-O 3.27Å; S29-K67 WeakPolarHBondContact CB-O 3.49Å; L33-K67 HydrophobicContact CD2-CB 3.57Å; L33-K67 WeakPolarHBondContact CD2-O 3.39Å; F50-K67 HydrophobicContact CB-CD 3.87Å; F50-K67 HydrophobicContact CB-CG 4.2Å; F50-K67 HydrophobicContact CD1-CD 4.36Å; F50-K67 HydrophobicContact CG-CD 4.1Å; S51-K67 WeakPolarHBondContact O-CA 3.38Å; K52-K67 HydrophobicContact CG-CG 4.3Å
68I95.6Very high95Very high27 Ų2781.5 Ų81.514%0.13840%0.403CS..EExtended strand (participates in β ladder)trans-125.2-20.8-17256.2164.3000114V26 G27 S51 A53 I62 E66V26-I68 PolarHBondContact N-O 3.11Å; V26-I68 VanDerWaalsContact N-O 3.13Å; G27-I68 PolarHBondContact N-O 2.97Å; G27-I68 VanDerWaalsContact N-O 3.13Å; S51-I68 PolarHBondContact O-N 3.12Å; A53-I68 HydrophobicContact CB-CD1 3.96Å; A53-I68 HydrophobicContact CB-CG1 4.32Å; A53-I68 HydrophobicContact CB-CG2 4.03Å; I62-I68 HydrophobicContact CD1-CG2 4.34Å; I62-I68 HydrophobicContact CG1-CG2 4.15Å; I62-I68 HydrophobicContact CG2-CG2 3.79Å; E66-I68 HydrophobicContact CG-CG2 4.5Å; E66-I68 PolarHBondContact O-N 2.97Å
69A96.1Very high95Very high6 Ų670.3 Ų70.35%0.0536%0.36CS..EExtended strand (participates in β ladder)trans-146.1160.5-173.600000110.1I24 C25 S51I24-A69 WeakPolarHBondContact O-CA 3.39Å; I24-A69 WeakPolarHBondContact O-CB 3.34Å; C25-A69 HydrophobicContact CB-CB 4.23Å; S51-A69 PolarHBondContact N-O 2.87Å
70V96.9Very high95Very high0 Ų068.9 Ų68.90%034%0.342CS..EExtended strand (participates in β ladder)trans-133.6135.6178.356.80000108.3I24 L33 A36 A37 L40 P48 V49 F50I24-V70 HydrophobicContact CB-CG1 4.03Å; I24-V70 PolarHBondContact N-O 3.22Å; I24-V70 PolarHBondContact O-N 3.39Å; L33-V70 HydrophobicContact CD1-CB 4.23Å; L33-V70 HydrophobicContact CD1-CG1 4.14Å; A36-V70 HydrophobicContact CB-CG1 3.96Å; A37-V70 HydrophobicContact CB-CG2 3.97Å; L40-V70 HydrophobicContact CD1-CB 4.26Å; L40-V70 HydrophobicContact CD1-CG1 3.75Å; L40-V70 HydrophobicContact CD1-CG2 3.88Å; L40-V70 WeakPolarHBondContact CD1-O 3.42Å; P48-V70 HydrophobicContact CB-CG2 3.49Å; P48-V70 VanDerWaalsContact CB-CG2 3.49Å; P48-V70 HydrophobicContact CG-CG2 3.65Å; V49-V70 WeakPolarHBondContact O-CA 2.99Å; F50-V70 HydrophobicContact CD1-CB 4.44Å
71H96.9Very high95.1Very high62 Ų6266.9 Ų66.929%0.28734%0.335SS..EExtended strand (participates in β ladder)trans-140.2153.8-17869.9-73.5000111.6M22 N23 V49 S51M22-H71 CarbonylContact O-C 3.28Å; M22-H71 WeakPolarHBondContact O-CA 3.46Å; M22-H71 VanDerWaalsContact O-CB 3.31Å; M22-H71 WeakPolarHBondContact O-CB 3.48Å; N23-H71 HydrophobicContact CB-CB 4.38Å; V49-H71 PolarHBondContact N-O 2.82Å; V49-H71 PolarHBondContact O-N 3.07Å; V49-H71 PolarHBondContact O-ND1 3.4Å; V49-H71 VanDerWaalsContact O-ND1 3.13Å; S51-H71 PolarHBondContact OG-CE1 3.23Å; S51-H71 VanDerWaalsContact OG-CE1 3.25Å; S51-H71 PolarHBondContact OG-ND1 3.02Å
72C96.8Very high95.2Very high7 Ų764.8 Ų64.85%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-135.3148.2175.9-172.80000109.3M22 T44 P48M22-C72 PolarHBondContact N-O 3.03Å; M22-C72 PolarHBondContact O-N 3.12Å; T44-C72 HydrophobicContact CG2-CB 4.18Å; T44-C72 PolarHBondContact OG1-SG 3.3Å; P48-C72 HydrophobicContact CB-CB 4.33Å
73T97Very high95.2Very high44 Ų4463.6 Ų63.627%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-119.9113.8174.2-640000109.4K19 L20 C21 R75K19-T73 HydrophobicContact CB-CG2 3.83Å; K19-T73 HydrophobicContact CD-CG2 3.87Å; K19-T73 HydrophobicContact CG-CG2 4.36Å; L20-T73 CarbonylContact O-C 3.44Å; L20-T73 WeakPolarHBondContact O-CA 3.4Å; C21-T73 PolarHBondContact SG-OG1 2.72Å; T73-R75 HydrophobicContact CG2-CG 4.44Å
74V96.4Very high95.2Very high0 Ų059.8 Ų59.80%029%0.294CS..EExtended strand (participates in β ladder)trans-100.6145.5177.9-169.10000109.5L20 M22 T44 K78 A79 I82L20-V74 PolarHBondContact N-O 3.05Å; L20-V74 PolarHBondContact O-N 3.33Å; M22-V74 HydrophobicContact SD-CG2 4.29Å; T44-V74 HydrophobicContact CG2-CG2 3.58Å; V74-K78 HydrophobicContact CG1-CB 3.63Å; V74-A79 HydrophobicContact CB-CB 4.29Å; V74-A79 HydrophobicContact CG1-CB 4.07Å; V74-I82 HydrophobicContact CG1-CD1 4.34Å; V74-I82 HydrophobicContact CG2-CD1 4.25Å
75R96Very high95.1Very high168 Ų16856.8 Ų56.863%0.63429%0.286SS*.  trans-139.4159.7179.2-60.9-175.5-175.6152.33.5110.1K19 T73K19-R75 HydrophobicContact CB-CG 3.81Å; T73-R75 HydrophobicContact CG2-CG 4.44Å
76G94.1Very high95.1Very high49 Ų4951.7 Ų51.751%0.50526%0.259SS..SBendtrans75.2-155.3179.300000112.7K78 A79G76-K78 VanDerWaalsContact C-N 3.32Å; G76-K78 PolarHBondContact O-N 2.99Å; G76-A79 VanDerWaalsContact O-CB 3.3Å; G76-A79 WeakPolarHBondContact O-CB 3.48Å; G76-A79 PolarHBondContact O-N 2.93Å
77A94.8Very high95.1Very high64 Ų6449.7 Ų49.753%0.52925%0.25SC..Hα-helixtrans-56.4-41.4-17500000113.2A79 E80 E81A77-A79 PolarHBondContact O-N 3.15Å; A77-A79 VanDerWaalsContact O-N 3.12Å; A77-E80 WeakPolarHBondContact O-CA 3.46Å; A77-E80 WeakPolarHBondContact O-CB 3.31Å; A77-E80 PolarHBondContact O-N 2.76Å; A77-E81 PolarHBondContact O-N 3.49Å
78K93.6Very high94.9Very high109 Ų10952.2 Ų52.247%0.47426%0.261SS..Hα-helixtrans-55.8-32.9175.5-68.6-171.6175.5-171.90113.3V74 G76 I82V74-K78 HydrophobicContact CG1-CB 3.63Å; G76-K78 VanDerWaalsContact C-N 3.32Å; G76-K78 PolarHBondContact O-N 2.99Å; K78-I82 WeakPolarHBondContact O-CB 3.5Å; K78-I82 WeakPolarHBondContact O-CD1 3.31Å; K78-I82 VanDerWaalsContact O-CG1 3.25Å; K78-I82 WeakPolarHBondContact O-CG1 3.3Å; K78-I82 PolarHBondContact O-N 3.41Å; K78-I82 VanDerWaalsContact O-N 3.14Å
79A94.8Very high94.8Very high0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-71.7-34.2178.200000111.6L20 V74 G76 A77 L83L20-A79 HydrophobicContact CB-CB 3.9Å; V74-A79 HydrophobicContact CB-CB 4.29Å; V74-A79 HydrophobicContact CG1-CB 4.07Å; G76-A79 VanDerWaalsContact O-CB 3.3Å; G76-A79 WeakPolarHBondContact O-CB 3.48Å; G76-A79 PolarHBondContact O-N 2.93Å; A77-A79 PolarHBondContact O-N 3.15Å; A77-A79 VanDerWaalsContact O-N 3.12Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 PolarHBondContact O-N 2.92Å
80E94.5Very high94.6Very high74 Ų7457.8 Ų57.835%0.34628%0.283SS..Hα-helixtrans-70.1-45.4176.4-72.8178.9158.500111I17 A77 I82 L83 E84 K169I17-E80 HydrophobicContact CD1-CG 3.74Å; A77-E80 WeakPolarHBondContact O-CA 3.46Å; A77-E80 WeakPolarHBondContact O-CB 3.31Å; A77-E80 PolarHBondContact O-N 2.76Å; E80-I82 PolarHBondContact O-N 3.12Å; E80-L83 PolarHBondContact O-N 3.39Å; E80-E84 WeakPolarHBondContact O-CB 3.15Å; E80-E84 PolarHBondContact O-N 2.83Å; E80-K169 IonicContact OE1-NZ 3.58Å; E80-K169 PolarHBondContact OE1-NZ 3.15Å
81E93.9Very high94.5Very high111 Ų11164.7 Ų64.752%0.51932%0.315SS..Hα-helixtrans-59.1-46.9176.6-67.5169.2-164.100112.2A77 E84 K85A77-E81 PolarHBondContact O-N 3.49Å; E81-E84 PolarHBondContact O-N 3.22Å; E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 2.95Å; E81-K85 VanDerWaalsContact O-N 3.16Å
82I93.9Very high94.3Very high11 Ų1164.7 Ų64.76%0.05631%0.313CS..Hα-helixtrans-69.4-37.8180-68.7171.3000110.9L20 M22 L43 T44 V74 K78 E80 K85 G86 F130L20-I82 HydrophobicContact CD2-CB 4.1Å; L20-I82 HydrophobicContact CD2-CG2 3.72Å; M22-I82 HydrophobicContact CE-CG2 3.78Å; M22-I82 HydrophobicContact SD-CG2 3.76Å; L43-I82 WeakPolarHBondContact O-CD1 3.42Å; T44-I82 HydrophobicContact CG2-CD1 4.27Å; V74-I82 HydrophobicContact CG1-CD1 4.34Å; V74-I82 HydrophobicContact CG2-CD1 4.25Å; K78-I82 WeakPolarHBondContact O-CB 3.5Å; K78-I82 WeakPolarHBondContact O-CD1 3.31Å; K78-I82 VanDerWaalsContact O-CG1 3.25Å; K78-I82 WeakPolarHBondContact O-CG1 3.3Å; K78-I82 PolarHBondContact O-N 3.41Å; K78-I82 VanDerWaalsContact O-N 3.14Å; E80-I82 PolarHBondContact O-N 3.12Å; I82-K85 PolarHBondContact O-N 2.84Å; I82-G86 PolarHBondContact O-N 3.24Å; I82-G86 VanDerWaalsContact O-N 3.07Å; I82-F130 HydrophobicContact CG2-CE1 3.76Å
83L94.4Very high94.2Very high0 Ų068 Ų680%033%0.328CS..Hα-helixtrans-64.8-43.1176.4178.160.9000111.3I17 L20 A79 E80 K85 G86 L87 F105 F107 V132 Y170I17-L83 HydrophobicContact CD1-CD2 3.48Å; I17-L83 VanDerWaalsContact CD1-CD2 3.48Å; L20-L83 HydrophobicContact CD1-CD1 4.46Å; L20-L83 HydrophobicContact CD2-CB 4.48Å; A79-L83 WeakPolarHBondContact O-CB 3.48Å; A79-L83 PolarHBondContact O-N 2.92Å; E80-L83 PolarHBondContact O-N 3.39Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.39Å; L83-G86 PolarHBondContact O-N 3.36Å; L83-G86 VanDerWaalsContact O-N 3.12Å; L83-L87 HydrophobicContact CD1-CD1 4.13Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CD2-CD1 4.4Å; L83-L87 HydrophobicContact CG-CD1 3.87Å; L83-L87 HydrophobicContact CG-CG 4.2Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 2.83Å; L83-F105 HydrophobicContact CD2-CZ 4.45Å; L83-F107 HydrophobicContact CD1-CE1 3.74Å; L83-F107 HydrophobicContact CD1-CZ 3.96Å; L83-V132 HydrophobicContact CD1-CG2 3.51Å; L83-V132 HydrophobicContact CD2-CG1 4.28Å; L83-V132 HydrophobicContact CD2-CG2 3.83Å; L83-V132 HydrophobicContact CG-CG2 4.31Å; L83-Y170 HydrophobicContact CD2-CE2 4.18Å
84E93.9Very high94Very high102 Ų10266.1 Ų66.148%0.47732%0.316SS..Hα-helixtrans-60.5-44.2178.2-175.4175.2-169.100111.5E80 E81 G86 L87 K88E80-E84 WeakPolarHBondContact O-CB 3.15Å; E80-E84 PolarHBondContact O-N 2.83Å; E81-E84 PolarHBondContact O-N 3.22Å; E84-G86 VanDerWaalsContact C-N 3.32Å; E84-G86 PolarHBondContact O-N 3.38Å; E84-L87 PolarHBondContact O-N 3.4Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 3.12Å
85K93.1Very high93.9Very high111 Ų11171.5 Ų71.548%0.48334%0.337SS..Hα-helixtrans-57.1-45172-70.4178.2-177.8-176.80111.9E81 I82 L83 K88 V89 L115E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 2.95Å; E81-K85 VanDerWaalsContact O-N 3.16Å; I82-K85 PolarHBondContact O-N 2.84Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.39Å; K85-K88 PolarHBondContact O-N 3.49Å; K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.16Å; K85-L115 HydrophobicContact CB-CD2 4.18Å
86G93.5Very high93.8Very high0 Ų068.6 Ų68.60%033%0.329CS..Hα-helixtrans-67.3-38.3179.400000113.9I82 L83 E84 K88 V89 R90 F107I82-G86 PolarHBondContact O-N 3.24Å; I82-G86 VanDerWaalsContact O-N 3.07Å; L83-G86 PolarHBondContact O-N 3.36Å; L83-G86 VanDerWaalsContact O-N 3.12Å; E84-G86 VanDerWaalsContact C-N 3.32Å; E84-G86 PolarHBondContact O-N 3.38Å; G86-K88 VanDerWaalsContact C-N 3.35Å; G86-V89 PolarHBondContact O-N 3.32Å; G86-R90 PolarHBondContact O-N 3.47Å; G86-F107 WeakPolarHBondContact O-CE2 3.16Å
87L94Very high93.8Very high0 Ų071.3 Ų71.30%033%0.331CS..Hα-helixtrans-68.2-35.6176.4-72.2173.1000111.8L83 E84 V89 R90 E91 Y92 L94 F107 F166 Y170L83-L87 HydrophobicContact CD1-CD1 4.13Å; L83-L87 HydrophobicContact CD1-CG 4Å; L83-L87 HydrophobicContact CD2-CD1 4.4Å; L83-L87 HydrophobicContact CG-CD1 3.87Å; L83-L87 HydrophobicContact CG-CG 4.2Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 2.83Å; E84-L87 PolarHBondContact O-N 3.4Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.07Å; L87-R90 CarbonylContact O-C 3.56Å; L87-R90 VanDerWaalsContact O-C 3.28Å; L87-R90 WeakPolarHBondContact O-CA 3.11Å; L87-R90 PolarHBondContact O-N 3.47Å; L87-E91 PolarHBondContact O-N 3.46Å; L87-Y92 HydrophobicContact CB-CD1 3.82Å; L87-Y92 HydrophobicContact CB-CE1 3.91Å; L87-Y92 HydrophobicContact CB-CG 4.5Å; L87-Y92 HydrophobicContact CD1-CD1 4.47Å; L87-Y92 PolarHBondContact O-N 2.85Å; L87-L94 HydrophobicContact CD2-CD1 4.25Å; L87-F107 HydrophobicContact CD2-CD1 4.26Å; L87-F107 HydrophobicContact CD2-CE1 3.57Å; L87-F107 HydrophobicContact CD2-CZ 3.92Å; L87-F107 HydrophobicContact CG-CE1 4.17Å; L87-F107 HydrophobicContact CG-CZ 4.17Å; L87-F166 HydrophobicContact CD1-CE2 3.78Å; L87-F166 HydrophobicContact CD2-CE2 3.61Å; L87-F166 HydrophobicContact CD2-CZ 3.92Å; L87-F166 HydrophobicContact CG-CE2 4.35Å; L87-Y170 HydrophobicContact CD1-CD1 3.91Å; L87-Y170 HydrophobicContact CD1-CD2 3.99Å; L87-Y170 HydrophobicContact CD1-CE1 4.15Å; L87-Y170 HydrophobicContact CD1-CE2 4.22Å; L87-Y170 HydrophobicContact CD1-CG 3.83Å
88K93.4Very high93.8Very high151 Ų15171 Ų7166%0.65732%0.321SS*.Hα-helixtrans-60.1-39.7175-172.6176.1-178.5176.40112.5E84 K85 G86 R90 E91 Y92E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 3.12Å; K85-K88 PolarHBondContact O-N 3.49Å; G86-K88 VanDerWaalsContact C-N 3.35Å; K88-R90 PolarHBondContact O-N 2.88Å; K88-E91 PolarHBondContact O-N 3.18Å; K88-Y92 HydrophobicContact CB-CE2 4.27Å
89V93.7Very high93.9Very high42 Ų4266 Ų6626%0.25530%0.299SS..Hα-helixtrans-63.8-28.9174.7178.90000111.9K85 G86 L87 E91 I109 D114 L115K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.16Å; G86-V89 PolarHBondContact O-N 3.32Å; L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.07Å; V89-E91 VanDerWaalsContact C-N 3.35Å; V89-I109 HydrophobicContact CB-CD1 4.11Å; V89-I109 HydrophobicContact CG1-CD1 4.26Å; V89-I109 HydrophobicContact CG1-CG2 3.87Å; V89-I109 HydrophobicContact CG2-CD1 4.39Å; V89-D114 HydrophobicContact CB-CB 4.29Å; V89-D114 HydrophobicContact CG1-CB 3.63Å; V89-D114 HydrophobicContact CG2-CB 3.59Å; V89-D114 VanDerWaalsContact CG2-O 3.31Å; V89-D114 WeakPolarHBondContact CG2-O 3.45Å; V89-L115 HydrophobicContact CG2-CD2 4.25Å
90R91.9Very high93.9Very high109 Ų10967.5 Ų67.541%0.41131%0.31SS..THydrogen-bonded Turntrans-94.312.4175-72.6-64.4-169.7-178.2-3.6113.3G86 L87 K88 Y92 E93 F107 G108G86-R90 PolarHBondContact O-N 3.47Å; L87-R90 CarbonylContact O-C 3.56Å; L87-R90 VanDerWaalsContact O-C 3.28Å; L87-R90 WeakPolarHBondContact O-CA 3.11Å; L87-R90 PolarHBondContact O-N 3.47Å; K88-R90 PolarHBondContact O-N 2.88Å; R90-Y92 PolarHBondContact O-N 3.03Å; R90-E93 PolarHBondContact O-N 2.81Å; R90-F107 HydrophobicContact CG-CD2 3.9Å; R90-F107 HydrophobicContact CG-CE2 4.31Å; R90-G108 VanDerWaalsContact CZ-O 3.27Å; R90-G108 PolarHBondContact NE-O 3.3Å; R90-G108 PolarHBondContact NH2-O 3.01Å
91E93.4Very high93.9Very high144 Ų14470.5 Ų70.567%0.67333%0.328SS*.THydrogen-bonded Turntrans5428.3-179.8-56.6-178.7151.500113.3L87 K88 V89 E93L87-E91 PolarHBondContact O-N 3.46Å; K88-E91 PolarHBondContact O-N 3.18Å; V89-E91 VanDerWaalsContact C-N 3.35Å; E91-E93 HydrophobicContact CB-CG 4.35Å; E91-E93 PolarHBondContact O-N 2.84Å; E91-E93 VanDerWaalsContact O-N 3.13Å
92Y93.8Very high93.8Very high63 Ų6369.4 Ų69.425%0.24733%0.329CS..THydrogen-bonded Turntrans58.318.1-173.7-57.4-94.4000114.4L87 K88 R90 Y170 G172 I173L87-Y92 HydrophobicContact CB-CD1 3.82Å; L87-Y92 HydrophobicContact CB-CE1 3.91Å; L87-Y92 HydrophobicContact CB-CG 4.5Å; L87-Y92 HydrophobicContact CD1-CD1 4.47Å; L87-Y92 PolarHBondContact O-N 2.85Å; K88-Y92 HydrophobicContact CB-CE2 4.27Å; R90-Y92 PolarHBondContact O-N 3.03Å; Y92-Y170 WeakPolarHBondContact CD1-O 3.27Å; Y92-Y170 HydrophobicContact CE1-CD1 4.37Å; Y92-G172 CarbonylContact O-C 3.54Å; Y92-G172 VanDerWaalsContact O-CA 3.27Å; Y92-G172 WeakPolarHBondContact O-CA 3.19Å; Y92-I173 PolarHBondContact O-N 2.84Å
93E93.9Very high93.7Very high75 Ų7568.9 Ų68.935%0.3533%0.326SS..EExtended strand (participates in β ladder)trans-95.4124.5177.1-55.3-162.7153.100111.4R90 E91 I173R90-E93 PolarHBondContact O-N 2.81Å; E91-E93 HydrophobicContact CB-CG 4.35Å; E91-E93 PolarHBondContact O-N 2.84Å; E91-E93 VanDerWaalsContact O-N 3.13Å; E93-I173 WeakPolarHBondContact CA-O 3.39Å; E93-I173 HydrophobicContact CG-CB 4.33Å
94L94.1Very high93.8Very high6 Ų670 Ų703%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-128.9151.2172.2-68.2179.8000110.4L87 F99 F105 F107 F166 I173 I174 L175L87-L94 HydrophobicContact CD2-CD1 4.25Å; L94-F99 HydrophobicContact CB-CE2 4.07Å; L94-F99 HydrophobicContact CB-CZ 4.44Å; L94-F99 HydrophobicContact CD1-CE2 4.42Å; L94-F99 HydrophobicContact CD1-CZ 4.08Å; L94-F105 HydrophobicContact CD1-CD2 3.78Å; L94-F105 HydrophobicContact CD1-CE2 4.01Å; L94-F107 HydrophobicContact CD2-CB 3.8Å; L94-F107 HydrophobicContact CD2-CD1 3.9Å; L94-F107 HydrophobicContact CD2-CG 4.05Å; L94-F166 HydrophobicContact CB-CE1 4.16Å; L94-F166 HydrophobicContact CB-CZ 4.42Å; L94-F166 HydrophobicContact CD1-CD1 4.35Å; L94-F166 HydrophobicContact CD1-CD2 4.18Å; L94-F166 HydrophobicContact CD1-CE1 3.85Å; L94-F166 HydrophobicContact CD1-CE2 3.68Å; L94-F166 HydrophobicContact CD1-CZ 3.5Å; L94-F166 VanDerWaalsContact CD1-CZ 3.5Å; L94-F166 HydrophobicContact CG-CE1 4.02Å; L94-F166 HydrophobicContact CG-CE2 4.43Å; L94-F166 HydrophobicContact CG-CZ 3.78Å; L94-I173 PolarHBondContact N-O 2.61Å; L94-I174 CarbonylContact O-C 3.42Å; L94-I174 VanDerWaalsContact O-CA 3.27Å; L94-I174 WeakPolarHBondContact O-CA 3.43Å; L94-L175 PolarHBondContact O-N 3.31Å
95R94.1Very high93.9Very high113 Ų11365.1 Ų65.143%0.42631%0.31SS..EExtended strand (participates in β ladder)trans-89.3152.8174.4-53.4-177175.8-161.3-2.3110.4N97 N98 L175R95-N97 PolarHBondContact O-N 3.07Å; R95-N98 VanDerWaalsContact CB-OD1 3.31Å; R95-N98 WeakPolarHBondContact CB-OD1 3.36Å; R95-N98 PolarHBondContact N-OD1 3.33Å; R95-N98 VanDerWaalsContact O-CB 3.32Å; R95-N98 WeakPolarHBondContact O-CB 3.17Å; R95-N98 PolarHBondContact O-N 3.36Å; R95-N98 PolarHBondContact O-OD1 2.94Å; R95-L175 WeakPolarHBondContact CA-O 3.43Å; R95-L175 HydrophobicContact CG-CB 4.33Å
96K94.1Very high94.1Very high106 Ų10660.4 Ų60.446%0.46129%0.293SS..G310 helixtrans-53.5-29.3173.7-171.3174.3-176.7-179.70113.3N98 K159 M163 I174 L175K96-N98 VanDerWaalsContact C-N 3.33Å; K96-K159 WeakPolarHBondContact O-CE 3.44Å; K96-K159 PolarHBondContact O-NZ 2.84Å; K96-M163 HydrophobicContact CG-SD 3.89Å; K96-I174 HydrophobicContact CB-CG2 4.34Å; K96-L175 PolarHBondContact N-O 2.86Å
97N93.9Very high94.2Very high106 Ų10661 Ų6157%0.56730%0.295SS*.G310 helixtrans-76.3-17.8-179.6-65.5-5.5000113.4R95 F99R95-N97 PolarHBondContact O-N 3.07Å; N97-F99 PolarHBondContact O-N 2.83Å
98N94.6Very high94.2Very high58 Ų5862.1 Ų62.131%0.3131%0.307SS..G310 helixtrans-71.2-18.8175.8-69.981.8000113.1R95 K96 F105 G106R95-N98 VanDerWaalsContact CB-OD1 3.31Å; R95-N98 WeakPolarHBondContact CB-OD1 3.36Å; R95-N98 PolarHBondContact N-OD1 3.33Å; R95-N98 VanDerWaalsContact O-CB 3.32Å; R95-N98 WeakPolarHBondContact O-CB 3.17Å; R95-N98 PolarHBondContact O-N 3.36Å; R95-N98 PolarHBondContact O-OD1 2.94Å; K96-N98 VanDerWaalsContact C-N 3.33Å; N98-F105 WeakPolarHBondContact O-CA 3.31Å; N98-G106 WeakPolarHBondContact CB-O 3.45Å; N98-G106 PolarHBondContact ND2-O 3.13Å; N98-G106 PolarHBondContact O-N 3.19Å
99F95.7Very high94.2Very high3 Ų355.3 Ų55.31%0.01328%0.278CS..BIsolated β-bridgetrans-89.9126.9177.6-62.5-96000110.4L94 N97 N104 F105 K159 A162 M163 F166 I174L94-F99 HydrophobicContact CB-CE2 4.07Å; L94-F99 HydrophobicContact CB-CZ 4.44Å; L94-F99 HydrophobicContact CD1-CE2 4.42Å; L94-F99 HydrophobicContact CD1-CZ 4.08Å; N97-F99 PolarHBondContact O-N 2.83Å; F99-N104 CarbonylContact C-O 3.51Å; F99-N104 WeakPolarHBondContact CA-O 3.42Å; F99-F105 HydrophobicContact CD1-CB 3.58Å; F99-F105 HydrophobicContact CD1-CD1 4.22Å; F99-F105 HydrophobicContact CD1-CG 4.1Å; F99-F105 HydrophobicContact CE1-CB 3.83Å; F99-F105 AromaticContact CE1-CD1 3.94Å; F99-F105 HydrophobicContact CE1-CD1 3.94Å; F99-F105 AromaticContact CE1-CG 3.87Å; F99-F105 HydrophobicContact CE1-CG 3.87Å; F99-F105 HydrophobicContact CG-CB 4.07Å; F99-K159 HydrophobicContact CB-CD 4.33Å; F99-K159 HydrophobicContact CB-CG 3.83Å; F99-K159 WeakPolarHBondContact O-CD 3.21Å; F99-K159 WeakPolarHBondContact O-CE 3.28Å; F99-K159 PolarHBondContact O-NZ 3.36Å; F99-A162 HydrophobicContact CD1-CB 4.15Å; F99-M163 HydrophobicContact CB-CG 4.32Å; F99-M163 HydrophobicContact CD1-CG 3.87Å; F99-M163 HydrophobicContact CD2-CG 3.79Å; F99-M163 HydrophobicContact CD2-SD 4.33Å; F99-M163 HydrophobicContact CE1-CG 4.09Å; F99-M163 HydrophobicContact CE2-CG 4.02Å; F99-M163 HydrophobicContact CG-CG 3.73Å; F99-M163 HydrophobicContact CZ-CG 4.17Å; F99-F166 HydrophobicContact CE1-CB 4.13Å; F99-F166 HydrophobicContact CE1-CG 4.5Å; F99-F166 HydrophobicContact CZ-CB 4.06Å; F99-F166 HydrophobicContact CZ-CD1 4.02Å; F99-F166 HydrophobicContact CZ-CG 4.05Å; F99-I174 HydrophobicContact CE2-CD1 4.16Å; F99-I174 HydrophobicContact CE2-CG1 4.39Å; F99-I174 HydrophobicContact CE2-CG2 4.49Å; F99-I174 HydrophobicContact CZ-CD1 4.13Å
100S95Very high94.2Very high32 Ų3260.9 Ų60.922%0.22430%0.301CS..  trans-78.4160.9175.3790000111.7T102 G103 N104 K159S100-T102 PolarHBondContact O-N 3.23Å; S100-T102 PolarHBondContact OG-N 3.47Å; S100-T102 PolarHBondContact OG-OG1 2.91Å; S100-G103 PolarHBondContact O-N 3.13Å; S100-N104 PolarHBondContact N-O 2.86Å; S100-N104 PolarHBondContact OG-N 3.02Å; S100-N104 PolarHBondContact OG-O 3.23Å; S100-K159 WeakPolarHBondContact O-CB 3.3Å
101D93.2Very high94.2Very high138 Ų13859.5 Ų59.574%0.73830%0.299SS*.THydrogen-bonded Turntrans-62.9-25.4176.2-60.7-30.7000112.6G103D101-G103 PolarHBondContact O-N 3.28Å
102T92.4Very high94Very high87 Ų8752.9 Ų52.953%0.53427%0.268SS..THydrogen-bonded Turntrans-80.23175.265.90000113.4S100 N104 I157S100-T102 PolarHBondContact O-N 3.23Å; S100-T102 PolarHBondContact OG-N 3.47Å; S100-T102 PolarHBondContact OG-OG1 2.91Å; T102-N104 VanDerWaalsContact C-N 3.33Å; T102-N104 PolarHBondContact O-N 3.14Å; T102-N104 PolarHBondContact OG1-ND2 3.02Å; T102-I157 CarbonylContact C-O 3.54Å
103G91.3Very high93.9Very high0 Ų052 Ų520%027%0.267CS..SBendtrans74.718.8-18000000114.8S100 D101 L134 A162S100-G103 PolarHBondContact O-N 3.13Å; D101-G103 PolarHBondContact O-N 3.28Å; G103-L134 WeakPolarHBondContact O-CD1 3.25Å; G103-A162 WeakPolarHBondContact O-CB 3.42Å
104N96.5Very high93.6Very high23 Ų2353 Ų5312%0.12328%0.275CS..  trans-93.3161.5169.2-59.6-41.6000108.6F99 S100 T102 Y131 V132 V133 L134F99-N104 CarbonylContact C-O 3.51Å; F99-N104 WeakPolarHBondContact CA-O 3.42Å; S100-N104 PolarHBondContact N-O 2.86Å; S100-N104 PolarHBondContact OG-N 3.02Å; S100-N104 PolarHBondContact OG-O 3.23Å; T102-N104 VanDerWaalsContact C-N 3.33Å; T102-N104 PolarHBondContact O-N 3.14Å; T102-N104 PolarHBondContact OG1-ND2 3.02Å; N104-Y131 HydrophobicContact CB-CE1 4.18Å; N104-V132 WeakPolarHBondContact CB-O 3.48Å; N104-V133 WeakPolarHBondContact OD1-CA 3.33Å; N104-L134 PolarHBondContact OD1-N 2.94Å; N104-L134 VanDerWaalsContact OD1-N 3.12Å
105F96.4Very high93.3Very high1 Ų153 Ų530%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-146.3160.3176.566-86.6000111.2L83 L94 N98 F99 V132 L134 W165 F166L83-F105 HydrophobicContact CD2-CZ 4.45Å; L94-F105 HydrophobicContact CD1-CD2 3.78Å; L94-F105 HydrophobicContact CD1-CE2 4.01Å; N98-F105 WeakPolarHBondContact O-CA 3.31Å; F99-F105 HydrophobicContact CD1-CB 3.58Å; F99-F105 HydrophobicContact CD1-CD1 4.22Å; F99-F105 HydrophobicContact CD1-CG 4.1Å; F99-F105 HydrophobicContact CE1-CB 3.83Å; F99-F105 AromaticContact CE1-CD1 3.94Å; F99-F105 HydrophobicContact CE1-CD1 3.94Å; F99-F105 AromaticContact CE1-CG 3.87Å; F99-F105 HydrophobicContact CE1-CG 3.87Å; F99-F105 HydrophobicContact CG-CB 4.07Å; F105-V132 HydrophobicContact CD1-CB 4.18Å; F105-V132 HydrophobicContact CD1-CG1 4.45Å; F105-V132 HydrophobicContact CD2-CB 4.27Å; F105-V132 HydrophobicContact CD2-CG2 4.26Å; F105-V132 HydrophobicContact CE1-CB 3.85Å; F105-V132 HydrophobicContact CE1-CG1 3.76Å; F105-V132 HydrophobicContact CE1-CG2 4.41Å; F105-V132 HydrophobicContact CE2-CB 3.95Å; F105-V132 HydrophobicContact CE2-CG1 4.48Å; F105-V132 HydrophobicContact CE2-CG2 3.68Å; F105-V132 HydrophobicContact CG-CB 4.39Å; F105-V132 HydrophobicContact CZ-CB 3.73Å; F105-V132 HydrophobicContact CZ-CG1 3.78Å; F105-V132 HydrophobicContact CZ-CG2 3.77Å; F105-V132 PolarHBondContact N-O 2.97Å; F105-V132 VanDerWaalsContact N-O 3.15Å; F105-V132 WeakPolarHBondContact O-CA 3.49Å; F105-V132 PolarHBondContact O-N 3.12Å; F105-L134 HydrophobicContact CD1-CD1 4.37Å; F105-L134 HydrophobicContact CD1-CG 4.5Å; F105-L134 HydrophobicContact CE1-CD1 4.17Å; F105-L134 HydrophobicContact CE1-CD2 4.16Å; F105-L134 HydrophobicContact CE1-CG 4.21Å; F105-W165 HydrophobicContact CE1-CE3 4.43Å; F105-W165 AromaticContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CZ-CZ3 4.14Å; F105-F166 HydrophobicContact CE2-CD2 4.4Å; F105-F166 HydrophobicContact CZ-CD2 4.27Å
106G96.3Very high92.8Very high12 Ų1251 Ų5112%0.12429%0.29CS..EExtended strand (participates in β ladder)trans-156.3161176.800000112.3N98 F130N98-G106 WeakPolarHBondContact CB-O 3.45Å; N98-G106 PolarHBondContact ND2-O 3.13Å; N98-G106 PolarHBondContact O-N 3.19Å; G106-F130 CarbonylContact C-O 3.55Å; G106-F130 WeakPolarHBondContact CA-O 2.87Å
107F95.8Very high92.4Very high12 Ų1247.2 Ų47.25%0.05327%0.274CS..EExtended strand (participates in β ladder)trans-149.8151177.258.9-89.2000109.3L83 G86 L87 R90 L94 I109 F130L83-F107 HydrophobicContact CD1-CE1 3.74Å; L83-F107 HydrophobicContact CD1-CZ 3.96Å; G86-F107 WeakPolarHBondContact O-CE2 3.16Å; L87-F107 HydrophobicContact CD2-CD1 4.26Å; L87-F107 HydrophobicContact CD2-CE1 3.57Å; L87-F107 HydrophobicContact CD2-CZ 3.92Å; L87-F107 HydrophobicContact CG-CE1 4.17Å; L87-F107 HydrophobicContact CG-CZ 4.17Å; R90-F107 HydrophobicContact CG-CD2 3.9Å; R90-F107 HydrophobicContact CG-CE2 4.31Å; L94-F107 HydrophobicContact CD2-CB 3.8Å; L94-F107 HydrophobicContact CD2-CD1 3.9Å; L94-F107 HydrophobicContact CD2-CG 4.05Å; F107-I109 HydrophobicContact CD2-CG1 4.15Å; F107-I109 HydrophobicContact CE2-CD1 4.11Å; F107-I109 HydrophobicContact CE2-CG1 4.06Å; F107-F130 HydrophobicContact CD1-CB 4.37Å; F107-F130 HydrophobicContact CD2-CB 4.34Å; F107-F130 HydrophobicContact CD2-CD2 4.38Å; F107-F130 HydrophobicContact CE1-CB 4.09Å; F107-F130 HydrophobicContact CE2-CB 4.06Å; F107-F130 AromaticContact CE2-CD2 3.91Å; F107-F130 HydrophobicContact CE2-CD2 3.91Å; F107-F130 AromaticContact CE2-CG 3.97Å; F107-F130 HydrophobicContact CE2-CG 3.97Å; F107-F130 HydrophobicContact CG-CB 4.5Å; F107-F130 HydrophobicContact CZ-CB 3.92Å; F107-F130 HydrophobicContact CZ-CD1 4.38Å; F107-F130 HydrophobicContact CZ-CD2 4.4Å; F107-F130 HydrophobicContact CZ-CG 4.01Å; F107-F130 PolarHBondContact N-O 2.97Å; F107-F130 PolarHBondContact O-N 3.38Å
108G94.9Very high92.1Very high24 Ų2451.5 Ų51.525%0.24729%0.288CS..EExtended strand (participates in β ladder)trans-97.9150.7172.800000110.7R90 L128R90-G108 VanDerWaalsContact CZ-O 3.27Å; R90-G108 PolarHBondContact NE-O 3.3Å; R90-G108 PolarHBondContact NH2-O 3.01Å; G108-L128 CarbonylContact C-O 3.54Å; G108-L128 WeakPolarHBondContact CA-O 3.28Å
109I94.2Very high91.9Very high7 Ų754.7 Ų54.74%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-117.2138.5165.8-56.1-177.7000107.2V89 F107 E111 L115 G127 L128 F130V89-I109 HydrophobicContact CB-CD1 4.11Å; V89-I109 HydrophobicContact CG1-CD1 4.26Å; V89-I109 HydrophobicContact CG1-CG2 3.87Å; V89-I109 HydrophobicContact CG2-CD1 4.39Å; F107-I109 HydrophobicContact CD2-CG1 4.15Å; F107-I109 HydrophobicContact CE2-CD1 4.11Å; F107-I109 HydrophobicContact CE2-CG1 4.06Å; I109-E111 WeakPolarHBondContact CG2-O 3.29Å; I109-L115 HydrophobicContact CD1-CD1 4.29Å; I109-L115 HydrophobicContact CD1-CD2 3.72Å; I109-L115 HydrophobicContact CD1-CG 4.14Å; I109-G127 CarbonylContact O-C 3.54Å; I109-G127 WeakPolarHBondContact O-CA 3.37Å; I109-L128 PolarHBondContact N-O 2.91Å; I109-L128 PolarHBondContact O-N 2.62Å; I109-F130 HydrophobicContact CD1-CD2 4.11Å; I109-F130 HydrophobicContact CD1-CE2 3.47Å; I109-F130 VanDerWaalsContact CD1-CE2 3.47Å; I109-F130 HydrophobicContact CD1-CZ 4.1Å; I109-F130 HydrophobicContact CG1-CD2 4.18Å; I109-F130 HydrophobicContact CG1-CE2 3.92Å
110Q92Very high91.5Very high159 Ų15957.8 Ų57.874%0.74331%0.313SS*.SBendtrans-79.3-34.2-178.6-70.2-178.6-16.600112.1Y126 G127Q110-Y126 CarbonylContact O-C 3.6Å; Q110-G127 WeakPolarHBondContact O-CA 3.2Å; Q110-G127 PolarHBondContact O-N 2.94Å
111E92.6Very high91.2Very high80 Ų8060.9 Ų60.937%0.37433%0.332SS..  trans-127.8123.5-177.5-51.3-166.9179.800110.9I109 I113 I125I109-E111 WeakPolarHBondContact CG2-O 3.29Å; E111-I113 PolarHBondContact O-N 3.01Å; E111-I125 HydrophobicContact CB-CG2 3.85Å; E111-I125 HydrophobicContact CG-CG2 3.74Å
112H89.3Confident90.9Very high6 Ų657.9 Ų57.93%0.02832%0.322CS..G310 helixtrans-73.3-9.617666-87.9000113.7V39 D114 L115 G124 Y126V39-H112 HydrophobicContact CG1-CB 4.18Å; H112-D114 VanDerWaalsContact C-N 3.27Å; H112-D114 PolarHBondContact O-N 3.11Å; H112-L115 HydrophobicContact CB-CD1 4.34Å; H112-L115 WeakPolarHBondContact O-CB 3.46Å; H112-L115 PolarHBondContact O-N 3.05Å; H112-G124 PolarHBondContact CE1-O 3.39Å; H112-G124 VanDerWaalsContact CE1-O 3.26Å; H112-Y126 AromaticContact CE1-CD2 3.9Å; H112-Y126 PolarHBondContact CE1-N 2.94Å; H112-Y126 VanDerWaalsContact CE1-N 3.33Å; H112-Y126 PolarHBondContact N-O 2.94Å; H112-Y126 PolarHBondContact ND1-N 2.91Å; H112-Y126 VanDerWaalsContact ND1-N 3.11Å; H112-Y126 PolarHBondContact ND1-O 3.09Å
113I90.9Very high90.7Very high45 Ų4554.5 Ų54.523%0.23130%0.301CS..G310 helixtrans-64.9-37.3179.1-58.3169.8000110E111 L115 G116 Y119 I125E111-I113 PolarHBondContact O-N 3.01Å; I113-L115 PolarHBondContact O-N 3.01Å; I113-G116 PolarHBondContact O-N 3.33Å; I113-Y119 HydrophobicContact CD1-CD2 3.56Å; I113-Y119 HydrophobicContact CD1-CE2 4.28Å; I113-Y119 HydrophobicContact CD1-CG 4.21Å; I113-Y119 HydrophobicContact CG1-CD2 4.33Å; I113-I125 HydrophobicContact CD1-CD1 4.08Å; I113-I125 HydrophobicContact CD1-CG1 3.96Å
114D89.1Confident90.6Very high94 Ų9455.5 Ų55.550%0.50331%0.311SS..G310 helixtrans-60.9-17.6178.5-60.3-27.6000113.1V89 H112 G116V89-D114 HydrophobicContact CB-CB 4.29Å; V89-D114 HydrophobicContact CG1-CB 3.63Å; V89-D114 HydrophobicContact CG2-CB 3.59Å; V89-D114 VanDerWaalsContact CG2-O 3.31Å; V89-D114 WeakPolarHBondContact CG2-O 3.45Å; H112-D114 VanDerWaalsContact C-N 3.27Å; H112-D114 PolarHBondContact O-N 3.11Å; D114-G116 PolarHBondContact O-N 3.26Å
115L86.8Confident90.4Very high8 Ų858.1 Ų58.14%0.04232%0.324CS..G310 helixtrans-79.50.4175-64164.7000113.5L43 K85 V89 I109 H112 I113 L128 F130L43-L115 HydrophobicContact CD1-CB 4.27Å; L43-L115 HydrophobicContact CD1-CD1 4.48Å; L43-L115 HydrophobicContact CD2-CD1 3.91Å; K85-L115 HydrophobicContact CB-CD2 4.18Å; V89-L115 HydrophobicContact CG2-CD2 4.25Å; I109-L115 HydrophobicContact CD1-CD1 4.29Å; I109-L115 HydrophobicContact CD1-CD2 3.72Å; I109-L115 HydrophobicContact CD1-CG 4.14Å; H112-L115 HydrophobicContact CB-CD1 4.34Å; H112-L115 WeakPolarHBondContact O-CB 3.46Å; H112-L115 PolarHBondContact O-N 3.05Å; I113-L115 PolarHBondContact O-N 3.01Å; L115-L128 HydrophobicContact CD1-CD2 3.58Å; L115-F130 HydrophobicContact CD1-CE2 4.14Å; L115-F130 HydrophobicContact CD1-CZ 3.75Å; L115-F130 HydrophobicContact CD2-CZ 3.93Å
116G82.9Confident90.3Very high71 Ų7158.8 Ų58.873%0.73233%0.327SS*.THydrogen-bonded Turntrans92.416.8177.800000114.7I113 D114I113-G116 PolarHBondContact O-N 3.33Å; D114-G116 PolarHBondContact O-N 3.26Å
117I86.9Confident90.2Very high26 Ų2659.9 Ų59.913%0.13334%0.338CS..PPolyproline II helixtrans-84.5132.9172.8-60.7178000108.7V39 L43 Y119V39-I117 HydrophobicContact CG1-CD1 4.23Å; L43-I117 HydrophobicContact CB-CD1 4.01Å; L43-I117 HydrophobicContact CD1-CD1 4.03Å; L43-I117 HydrophobicContact CD1-CG1 4.45Å; L43-I117 HydrophobicContact CG-CD1 4.47Å; I117-Y119 PolarHBondContact O-N 3.03Å
118K87.7Confident90.2Very high195 Ų19559.4 Ų59.485%0.84834%0.336SS*.PPolyproline II helixtrans-63.7134.8174.2-70.2-170.7178.4-176.70110.1D120K118-D120 PolarHBondContact O-N 2.86Å
119Y89.6Confident90.2Very high126 Ų12662.1 Ų62.149%0.49435%0.345SS..PPolyproline II helixtrans-64.6129.2176.4179.3-116.5000111.5I113 I117 P121 I125I113-Y119 HydrophobicContact CD1-CD2 3.56Å; I113-Y119 HydrophobicContact CD1-CE2 4.28Å; I113-Y119 HydrophobicContact CD1-CG 4.21Å; I113-Y119 HydrophobicContact CG1-CD2 4.33Å; I117-Y119 PolarHBondContact O-N 3.03Å; Y119-P121 HydrophobicContact CD1-CG 4.3Å; Y119-P121 HydrophobicContact CE1-CB 4.3Å; Y119-P121 HydrophobicContact CE1-CG 3.81Å; Y119-I125 HydrophobicContact CE2-CG1 3.99Å
120D88.3Confident90.3Very high67 Ų6761.9 Ų61.936%0.35834%0.344SS..  trans-119.1114.1169.3-176.2-13.8000108.8K118 S122 I123 G124K118-D120 PolarHBondContact O-N 2.86Å; D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.46Å; D120-S122 PolarHBondContact OD1-OG 3.13Å; D120-I123 HydrophobicContact CB-CB 4.28Å; D120-I123 HydrophobicContact CB-CD1 4.04Å; D120-I123 HydrophobicContact CB-CG1 4.11Å; D120-I123 PolarHBondContact O-N 3.48Å; D120-G124 PolarHBondContact O-N 3.13Å
121P88Confident90.6Very high98 Ų9859.1 Ų59.164%0.63633%0.327SS*.THydrogen-bonded Turntrans-54.9-27.1176.9-24.132.6000113.7Y119 I123Y119-P121 HydrophobicContact CD1-CG 4.3Å; Y119-P121 HydrophobicContact CE1-CB 4.3Å; Y119-P121 HydrophobicContact CE1-CG 3.81Å; P121-I123 VanDerWaalsContact C-N 3.31Å; P121-I123 PolarHBondContact O-N 2.83Å
122S87.8Confident90.8Very high75 Ų7555.3 Ų55.352%0.52431%0.309SS..THydrogen-bonded Turntrans-71.5-27.7179.7-43.70000112R35 D120R35-S122 VanDerWaalsContact CD-O 3.28Å; R35-S122 WeakPolarHBondContact CD-O 3.45Å; R35-S122 VanDerWaalsContact CZ-O 3.25Å; R35-S122 PolarHBondContact NE-O 3.48Å; R35-S122 PolarHBondContact NH1-O 3.47Å; D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.46Å; D120-S122 PolarHBondContact OD1-OG 3.13Å
123I88.1Confident91.2Very high16 Ų1656 Ų568%0.08231%0.314CS..THydrogen-bonded Turntrans-89-44.1-177.4-68179.7000110.3R35 V39 D120 P121 Y126R35-I123 HydrophobicContact CB-CG2 4.42Å; V39-I123 HydrophobicContact CG2-CG2 3.26Å; D120-I123 HydrophobicContact CB-CB 4.28Å; D120-I123 HydrophobicContact CB-CD1 4.04Å; D120-I123 HydrophobicContact CB-CG1 4.11Å; D120-I123 PolarHBondContact O-N 3.48Å; P121-I123 VanDerWaalsContact C-N 3.31Å; P121-I123 PolarHBondContact O-N 2.83Å; I123-Y126 HydrophobicContact CG2-CD2 4.23Å; I123-Y126 HydrophobicContact CG2-CE2 3.73Å; I123-Y126 WeakPolarHBondContact O-CE2 3.4Å; I123-Y126 PolarHBondContact O-OH 3.49Å
124G88.9Confident91.4Very high21 Ų2154 Ų5422%0.21630%0.304CS..  trans83.7-177.8-173.900000112.9H112 D120H112-G124 PolarHBondContact CE1-O 3.39Å; H112-G124 VanDerWaalsContact CE1-O 3.26Å; D120-G124 PolarHBondContact O-N 3.13Å
125I92.8Very high91.7Very high77 Ų7749.6 Ų49.640%0.39528%0.28SS..  trans-95135.3-178.4-52.6179.2000109.6E111 I113 Y119E111-I125 HydrophobicContact CB-CG2 3.85Å; E111-I125 HydrophobicContact CG-CG2 3.74Å; I113-I125 HydrophobicContact CD1-CD1 4.08Å; I113-I125 HydrophobicContact CD1-CG1 3.96Å; Y119-I125 HydrophobicContact CE2-CG1 3.99Å
126Y94.1Very high92.1Very high15 Ų1550.1 Ų50.16%0.05928%0.282CS..  trans-130.2138.7177.5-64.9-79.5000110.5I24 V26 R32 R35 A36 V39 Q110 H112 I123I24-Y126 HydrophobicContact CG2-CD1 4.23Å; V26-Y126 HydrophobicContact CG2-CE1 4.33Å; R32-Y126 HydrophobicContact CG-CE1 3.79Å; R32-Y126 WeakPolarHBondContact CG-OH 3.37Å; R32-Y126 PolarHBondContact O-OH 3.13Å; R35-Y126 HydrophobicContact CB-CE2 4.46Å; A36-Y126 HydrophobicContact CB-CD1 4.16Å; A36-Y126 HydrophobicContact CB-CE1 4.02Å; A36-Y126 HydrophobicContact CB-CE2 4.49Å; A36-Y126 HydrophobicContact CB-CG 4.47Å; V39-Y126 HydrophobicContact CG2-CD2 4.1Å; V39-Y126 HydrophobicContact CG2-CE2 4.44Å; Q110-Y126 CarbonylContact O-C 3.6Å; H112-Y126 AromaticContact CE1-CD2 3.9Å; H112-Y126 PolarHBondContact CE1-N 2.94Å; H112-Y126 VanDerWaalsContact CE1-N 3.33Å; H112-Y126 PolarHBondContact N-O 2.94Å; H112-Y126 PolarHBondContact ND1-N 2.91Å; H112-Y126 VanDerWaalsContact ND1-N 3.11Å; H112-Y126 PolarHBondContact ND1-O 3.09Å; I123-Y126 HydrophobicContact CG2-CD2 4.23Å; I123-Y126 HydrophobicContact CG2-CE2 3.73Å; I123-Y126 WeakPolarHBondContact O-CE2 3.4Å; I123-Y126 PolarHBondContact O-OH 3.49Å
127G94.1Very high92.5Very high35 Ų3547.9 Ų47.936%0.36125%0.254SS..  trans-77.8155.4163.400000111.5I109 Q110I109-G127 CarbonylContact O-C 3.54Å; I109-G127 WeakPolarHBondContact O-CA 3.37Å; Q110-G127 WeakPolarHBondContact O-CA 3.2Å; Q110-G127 PolarHBondContact O-N 2.94Å
128L94.2Very high92.8Very high2 Ų248.5 Ų48.51%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-142.6130.2-171.6-179.566.1000110.2M22 I24 L40 L43 G108 I109 L115 F130M22-L128 HydrophobicContact CB-CD1 4.29Å; M22-L128 HydrophobicContact CE-CD1 4.27Å; M22-L128 HydrophobicContact CE-CD2 3.58Å; M22-L128 HydrophobicContact CE-CG 4.28Å; I24-L128 HydrophobicContact CD1-CD1 4.02Å; I24-L128 HydrophobicContact CG1-CD1 3.48Å; I24-L128 VanDerWaalsContact CG1-CD1 3.48Å; L40-L128 HydrophobicContact CD2-CD1 3.67Å; L43-L128 HydrophobicContact CD2-CD2 3.65Å; G108-L128 CarbonylContact C-O 3.54Å; G108-L128 WeakPolarHBondContact CA-O 3.28Å; I109-L128 PolarHBondContact N-O 2.91Å; I109-L128 PolarHBondContact O-N 2.62Å; L115-L128 HydrophobicContact CD1-CD2 3.58Å; L128-F130 HydrophobicContact CB-CE2 4.19Å; L128-F130 HydrophobicContact CD2-CD2 4.29Å; L128-F130 HydrophobicContact CD2-CE1 4.44Å; L128-F130 HydrophobicContact CD2-CE2 3.31Å; L128-F130 HydrophobicContact CD2-CZ 3.4Å; L128-F130 VanDerWaalsContact CD2-CZ 3.4Å; L128-F130 HydrophobicContact CG-CD2 4.12Å; L128-F130 HydrophobicContact CG-CE2 3.57Å; L128-F130 HydrophobicContact CG-CZ 4.12Å
129D96.7Very high93Very high81 Ų8140.3 Ų40.343%0.43323%0.231SC..EExtended strand (participates in β ladder)trans-98.4126.5175-62.1-43.7000110.5M22 N23M22-D129 WeakPolarHBondContact CA-O 3.45Å; N23-D129 HydrophobicContact CB-CB 4.35Å; N23-D129 PolarHBondContact N-O 3.25Å; N23-D129 PolarHBondContact O-N 3Å
130F96.5Very high93.2Very high3 Ų338 Ų381%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-101.4126.9171.4-68.9-106.3000109L20 M22 I82 G106 F107 I109 L115 L128L20-F130 HydrophobicContact CD1-CB 4.35Å; L20-F130 HydrophobicContact CD1-CD1 4.03Å; L20-F130 HydrophobicContact CD2-CD1 4.13Å; L20-F130 HydrophobicContact CD2-CE1 4.44Å; M22-F130 HydrophobicContact CE-CD1 4.16Å; M22-F130 HydrophobicContact CE-CE1 3.46Å; M22-F130 VanDerWaalsContact CE-CE1 3.46Å; M22-F130 HydrophobicContact CE-CE2 4.46Å; M22-F130 HydrophobicContact CE-CZ 3.63Å; M22-F130 HydrophobicContact SD-CE1 4.48Å; I82-F130 HydrophobicContact CG2-CE1 3.76Å; G106-F130 CarbonylContact C-O 3.55Å; G106-F130 WeakPolarHBondContact CA-O 2.87Å; F107-F130 HydrophobicContact CD1-CB 4.37Å; F107-F130 HydrophobicContact CD2-CB 4.34Å; F107-F130 HydrophobicContact CD2-CD2 4.38Å; F107-F130 HydrophobicContact CE1-CB 4.09Å; F107-F130 HydrophobicContact CE2-CB 4.06Å; F107-F130 AromaticContact CE2-CD2 3.91Å; F107-F130 HydrophobicContact CE2-CD2 3.91Å; F107-F130 AromaticContact CE2-CG 3.97Å; F107-F130 HydrophobicContact CE2-CG 3.97Å; F107-F130 HydrophobicContact CG-CB 4.5Å; F107-F130 HydrophobicContact CZ-CB 3.92Å; F107-F130 HydrophobicContact CZ-CD1 4.38Å; F107-F130 HydrophobicContact CZ-CD2 4.4Å; F107-F130 HydrophobicContact CZ-CG 4.01Å; F107-F130 PolarHBondContact N-O 2.97Å; F107-F130 PolarHBondContact O-N 3.38Å; I109-F130 HydrophobicContact CD1-CD2 4.11Å; I109-F130 HydrophobicContact CD1-CE2 3.47Å; I109-F130 VanDerWaalsContact CD1-CE2 3.47Å; I109-F130 HydrophobicContact CD1-CZ 4.1Å; I109-F130 HydrophobicContact CG1-CD2 4.18Å; I109-F130 HydrophobicContact CG1-CE2 3.92Å; L115-F130 HydrophobicContact CD1-CE2 4.14Å; L115-F130 HydrophobicContact CD1-CZ 3.75Å; L115-F130 HydrophobicContact CD2-CZ 3.93Å; L128-F130 HydrophobicContact CB-CE2 4.19Å; L128-F130 HydrophobicContact CD2-CD2 4.29Å; L128-F130 HydrophobicContact CD2-CE1 4.44Å; L128-F130 HydrophobicContact CD2-CE2 3.31Å; L128-F130 HydrophobicContact CD2-CZ 3.4Å; L128-F130 VanDerWaalsContact CD2-CZ 3.4Å; L128-F130 HydrophobicContact CG-CD2 4.12Å; L128-F130 HydrophobicContact CG-CE2 3.57Å; L128-F130 HydrophobicContact CG-CZ 4.12Å
131Y97.9Very high93.5Very high101 Ų10138.3 Ų38.340%0.39623%0.234SC..EExtended strand (participates in β ladder)trans-128.4110.9173.1-165.8-100.1000110.4C21 N104 V133C21-Y131 PolarHBondContact N-O 3.21Å; C21-Y131 PolarHBondContact O-N 2.69Å; N104-Y131 HydrophobicContact CB-CE1 4.18Å; Y131-V133 HydrophobicContact CD1-CG2 3.92Å; Y131-V133 HydrophobicContact CE1-CG2 3.86Å
132V97Very high93.8Very high0 Ų035.8 Ų35.80%022%0.221CC..EExtended strand (participates in β ladder)trans-93.5123.6-178.5-174.20000109.1I17 L20 L83 N104 F105 L134I17-V132 HydrophobicContact CG1-CG1 4.48Å; I17-V132 HydrophobicContact CG2-CG1 4.17Å; L20-V132 HydrophobicContact CD1-CG2 3.69Å; L83-V132 HydrophobicContact CD1-CG2 3.51Å; L83-V132 HydrophobicContact CD2-CG1 4.28Å; L83-V132 HydrophobicContact CD2-CG2 3.83Å; L83-V132 HydrophobicContact CG-CG2 4.31Å; N104-V132 WeakPolarHBondContact CB-O 3.48Å; F105-V132 HydrophobicContact CD1-CB 4.18Å; F105-V132 HydrophobicContact CD1-CG1 4.45Å; F105-V132 HydrophobicContact CD2-CB 4.27Å; F105-V132 HydrophobicContact CD2-CG2 4.26Å; F105-V132 HydrophobicContact CE1-CB 3.85Å; F105-V132 HydrophobicContact CE1-CG1 3.76Å; F105-V132 HydrophobicContact CE1-CG2 4.41Å; F105-V132 HydrophobicContact CE2-CB 3.95Å; F105-V132 HydrophobicContact CE2-CG1 4.48Å; F105-V132 HydrophobicContact CE2-CG2 3.68Å; F105-V132 HydrophobicContact CG-CB 4.39Å; F105-V132 HydrophobicContact CZ-CB 3.73Å; F105-V132 HydrophobicContact CZ-CG1 3.78Å; F105-V132 HydrophobicContact CZ-CG2 3.77Å; F105-V132 PolarHBondContact N-O 2.97Å; F105-V132 VanDerWaalsContact N-O 3.15Å; F105-V132 WeakPolarHBondContact O-CA 3.49Å; F105-V132 PolarHBondContact O-N 3.12Å; V132-L134 HydrophobicContact CG1-CD2 4.03Å
133V97.1Very high94.1Very high21 Ų2137 Ų3713%0.12722%0.222CC..EExtended strand (participates in β ladder)trans-102.9117.3172-179.20000108.6R18 K19 N104 Y131R18-V133 WeakPolarHBondContact CA-O 3.47Å; R18-V133 HydrophobicContact CB-CG1 4.35Å; R18-V133 VanDerWaalsContact CB-O 3.31Å; R18-V133 WeakPolarHBondContact CB-O 3.34Å; R18-V133 PolarHBondContact N-O 3.16Å; K19-V133 HydrophobicContact CD-CG2 4.49Å; K19-V133 HydrophobicContact CG-CB 3.77Å; K19-V133 HydrophobicContact CG-CG1 4.46Å; K19-V133 HydrophobicContact CG-CG2 3.98Å; K19-V133 PolarHBondContact N-O 2.89Å; K19-V133 PolarHBondContact O-N 3.32Å; N104-V133 WeakPolarHBondContact OD1-CA 3.33Å; Y131-V133 HydrophobicContact CD1-CG2 3.92Å; Y131-V133 HydrophobicContact CE1-CG2 3.86Å
134L95.9Very high94.3Very high2 Ų240.2 Ų40.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-84.1156.2173.3-61-175.5000110.3L15 I17 G103 N104 F105 V132 I157 A162 W165L15-L134 HydrophobicContact CD2-CD1 3.95Å; I17-L134 HydrophobicContact CG1-CD2 4.35Å; G103-L134 WeakPolarHBondContact O-CD1 3.25Å; N104-L134 PolarHBondContact OD1-N 2.94Å; N104-L134 VanDerWaalsContact OD1-N 3.12Å; F105-L134 HydrophobicContact CD1-CD1 4.37Å; F105-L134 HydrophobicContact CD1-CG 4.5Å; F105-L134 HydrophobicContact CE1-CD1 4.17Å; F105-L134 HydrophobicContact CE1-CD2 4.16Å; F105-L134 HydrophobicContact CE1-CG 4.21Å; V132-L134 HydrophobicContact CG1-CD2 4.03Å; L134-I157 HydrophobicContact CB-CD1 3.8Å; L134-A162 HydrophobicContact CD1-CB 3.77Å; L134-W165 HydrophobicContact CD1-CD2 4.27Å; L134-W165 HydrophobicContact CD1-CE3 3.89Å; L134-W165 HydrophobicContact CD1-CZ3 4.32Å; L134-W165 HydrophobicContact CD2-CD2 4.41Å; L134-W165 HydrophobicContact CD2-CE3 4.01Å; L134-W165 HydrophobicContact CD2-CH2 3.71Å; L134-W165 HydrophobicContact CD2-CZ2 4.11Å; L134-W165 HydrophobicContact CD2-CZ3 3.67Å
135G94.7Very high94.6Very high1 Ų149.1 Ų49.11%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-160.2161.2175.200000112.1R16R16-G135 VanDerWaalsContact CG-O 3.3Å; R16-G135 WeakPolarHBondContact CG-O 3.31Å; R16-G135 PolarHBondContact N-O 2.99Å; R16-G135 PolarHBondContact O-N 3.09Å
136R94.3Very high94.8Very high20 Ų2052.7 Ų52.78%0.07528%0.283CS..  trans-104.9158.3168.3-67.3175.4168.7137.83.7110.3R13 G138 F139 H155 R156 E161R13-R136 WeakPolarHBondContact O-CD 3.43Å; R13-R136 WeakPolarHBondContact O-CG 3.16Å; R13-R136 PolarHBondContact O-NE 3.42Å; R136-G138 PolarHBondContact O-N 2.89Å; R136-F139 HydrophobicContact CB-CD1 3.94Å; R136-F139 HydrophobicContact CB-CE1 3.71Å; R136-F139 HydrophobicContact CB-CZ 4.5Å; R136-F139 HydrophobicContact CG-CE1 4.23Å; R136-F139 WeakPolarHBondContact O-CD1 3.49Å; R136-F139 PolarHBondContact O-N 3.41Å; R136-H155 PolarHBondContact NH1-O 3.22Å; R136-R156 PolarHBondContact NH1-O 2.78Å; R136-R156 VanDerWaalsContact NH1-O 3.07Å; R136-E161 IonicContact CZ-OE2 2.69Å; R136-E161 IonicContact NH1-OE2 2.62Å; R136-E161 IonicContact NH2-OE2 3.07Å; R136-E161 PolarHBondContact NH2-OE2 2.79Å
137P92.8Very high94.8Very high24 Ų2460.3 Ų60.316%0.15632%0.317CS..THydrogen-bonded Turntrans-46135.5159.8-27.335.9000111.2M12 H155M12-P137 HydrophobicContact CE-CB 3.64Å; M12-P137 WeakPolarHBondContact O-CD 3.46Å; M12-P137 HydrophobicContact SD-CB 4.22Å; P137-H155 PolarHBondContact O-CE1 2.97Å; P137-H155 PolarHBondContact O-NE2 3.29Å
138G91.8Very high94.9Very high38 Ų3862.7 Ų62.739%0.39232%0.324SS..THydrogen-bonded Turntrans94-8.8-176.900000116.4R136 S140 I141R136-G138 PolarHBondContact O-N 2.89Å; G138-S140 PolarHBondContact O-N 3.45Å; G138-S140 VanDerWaalsContact O-N 3.13Å; G138-I141 WeakPolarHBondContact O-CD1 3.49Å; G138-I141 VanDerWaalsContact O-CG1 3.31Å; G138-I141 WeakPolarHBondContact O-CG1 3.33Å; G138-I141 PolarHBondContact O-N 2.93Å
139F93.3Very high94.9Very high24 Ų2464 Ų6411%0.10534%0.338CS..G310 helixtrans-63.1-20.4176.4-87.138.1000113.7R136 I141 A142 I151 H155 I157R136-F139 HydrophobicContact CB-CD1 3.94Å; R136-F139 HydrophobicContact CB-CE1 3.71Å; R136-F139 HydrophobicContact CB-CZ 4.5Å; R136-F139 HydrophobicContact CG-CE1 4.23Å; R136-F139 WeakPolarHBondContact O-CD1 3.49Å; R136-F139 PolarHBondContact O-N 3.41Å; F139-I141 PolarHBondContact O-N 3.33Å; F139-I141 VanDerWaalsContact O-N 3.13Å; F139-A142 PolarHBondContact O-N 3.41Å; F139-I151 HydrophobicContact CB-CD1 4.31Å; F139-I151 HydrophobicContact CD1-CD1 4.24Å; F139-I151 HydrophobicContact CD2-CD1 4.01Å; F139-I151 HydrophobicContact CE1-CG2 4.14Å; F139-I151 HydrophobicContact CE2-CD1 4.37Å; F139-I151 HydrophobicContact CG-CD1 3.93Å; F139-H155 AromaticContact CD1-CD2 3.71Å; F139-H155 AromaticContact CD1-NE2 3.89Å; F139-H155 AromaticContact CE1-CD2 3.48Å; F139-H155 VanDerWaalsContact CE1-CD2 3.48Å; F139-H155 WeakPolarHBondContact CE1-CD2 3.37Å; F139-H155 AromaticContact CE1-NE2 3.87Å; F139-H155 VanDerWaalsContact CE1-O 3.28Å; F139-H155 WeakPolarHBondContact CE1-O 3.44Å; F139-I157 HydrophobicContact CE2-CD1 4.15Å; F139-I157 HydrophobicContact CZ-CD1 4.06Å; F139-I157 HydrophobicContact CZ-CG1 4Å
140S93.1Very high94.7Very high77 Ų7771.3 Ų71.354%0.53836%0.36SS..G310 helixtrans-62.1-17.4177.1-165.90000113.8G138 A142 D143 K144G138-S140 PolarHBondContact O-N 3.45Å; G138-S140 VanDerWaalsContact O-N 3.13Å; S140-A142 PolarHBondContact O-N 2.91Å; S140-D143 PolarHBondContact O-N 2.7Å; S140-K144 PolarHBondContact O-N 2.99Å
141I95Very high94.6Very high74 Ų7472.8 Ų72.838%0.37937%0.367SS..G310 helixtrans-59.3-30.5178.9-66.6167.8000112.2G138 F139 G149G138-I141 WeakPolarHBondContact O-CD1 3.49Å; G138-I141 VanDerWaalsContact O-CG1 3.31Å; G138-I141 WeakPolarHBondContact O-CG1 3.33Å; G138-I141 PolarHBondContact O-N 2.93Å; F139-I141 PolarHBondContact O-N 3.33Å; F139-I141 VanDerWaalsContact O-N 3.13Å; I141-G149 PolarHBondContact O-N 2.76Å; I141-G149 VanDerWaalsContact O-N 3.09Å
142A93.8Very high94.3Very high44 Ų4470.1 Ų70.136%0.36437%0.371SS..G310 helixtrans-76.3-23.9177.700000113.2F139 S140 T148 G149 I151F139-A142 PolarHBondContact O-N 3.41Å; S140-A142 PolarHBondContact O-N 2.91Å; A142-T148 WeakPolarHBondContact O-CG2 3.35Å; A142-G149 WeakPolarHBondContact CA-O 3.22Å; A142-I151 HydrophobicContact CB-CD1 4.13Å; A142-I151 HydrophobicContact CB-CG1 4.25Å
143D93.2Very high94Very high101 Ų10177 Ų7754%0.5440%0.401SS..THydrogen-bonded Turntrans-104.9-21.2-172.6-54.2-71.7000113.2R18 S140R18-D143 IonicContact CZ-OD2 3.47Å; R18-D143 VanDerWaalsContact CZ-OD2 3.29Å; R18-D143 IonicContact NH1-OD2 2.75Å; R18-D143 PolarHBondContact NH1-OD2 3.37Å; R18-D143 IonicContact NH2-OD2 3.29Å; R18-D143 PolarHBondContact NH2-OD2 3.31Å; S140-D143 PolarHBondContact O-N 2.7Å
144K93.8Very high93.7Very high84 Ų8486 Ų8637%0.36543%0.433SS..  trans-66.2141.9-179.767.1178.1-174.8164.10111.2S140 Q146 K147 T148S140-K144 PolarHBondContact O-N 2.99Å; K144-Q146 VanDerWaalsContact CD-O 3.29Å; K144-Q146 WeakPolarHBondContact CD-O 3.35Å; K144-Q146 WeakPolarHBondContact CE-O 3.39Å; K144-Q146 WeakPolarHBondContact CG-O 3.21Å; K144-K147 WeakPolarHBondContact CE-O 2.98Å; K144-K147 PolarHBondContact NZ-O 3.33Å; K144-T148 PolarHBondContact O-OG1 3.42Å
145K95.3Very high93.5Very high207 Ų20788 Ų8890%0.944%0.442SS*.SBendtrans-69.3-42.5177.8-176.2178.6179.5-178.20112.9T148K145-T148 PolarHBondContact O-OG1 3.43Å
146Q95.3Very high93.4Very high153 Ų15394.3 Ų94.372%0.71547%0.465SS*.THydrogen-bonded Turntrans-91.6130.2-176.9-168.5-178.89.200111.1K144 T148K144-Q146 VanDerWaalsContact CD-O 3.29Å; K144-Q146 WeakPolarHBondContact CD-O 3.35Å; K144-Q146 WeakPolarHBondContact CE-O 3.39Å; K144-Q146 WeakPolarHBondContact CG-O 3.21Å; Q146-T148 VanDerWaalsContact C-N 3.31Å; Q146-T148 PolarHBondContact O-N 3.45Å
147K94.6Very high93.3Very high175 Ų17593.8 Ų93.876%0.76146%0.464SS*.THydrogen-bonded Turntrans53.445.7178.9-64.7178.3178.7-177.20112.4K144K144-K147 WeakPolarHBondContact CE-O 2.98Å; K144-K147 PolarHBondContact NZ-O 3.33Å
148T95.6Very high93.4Very high85 Ų8598.9 Ų98.952%0.52148%0.48SS..  trans-56.4138.4178.1-42.20000110.4A142 K144 K145 Q146A142-T148 WeakPolarHBondContact O-CG2 3.35Å; K144-T148 PolarHBondContact O-OG1 3.42Å; K145-T148 PolarHBondContact O-OG1 3.43Å; Q146-T148 VanDerWaalsContact C-N 3.31Å; Q146-T148 PolarHBondContact O-N 3.45Å
149G94.6Very high93.5Very high29 Ų2999.2 Ų99.230%0.29947%0.471SS..  trans-137.1170.8-179.600000111.8I141 A142I141-G149 PolarHBondContact O-N 2.76Å; I141-G149 VanDerWaalsContact O-N 3.09Å; A142-G149 WeakPolarHBondContact CA-O 3.22Å
150R93.6Very high93.5Very high234 Ų234103.7 Ų103.788%0.88349%0.492SS*.PPolyproline II helixtrans-94.8143.3175.9-65.9-178.7178.7-178.7-0.2110.5G152R150-G152 PolarHBondContact O-N 3.43Å
151I93.4Very high93.4Very high34 Ų34102.9 Ų102.917%0.17448%0.48CS..PPolyproline II helixtrans-72.1118.9172.3-58.7163.8000108.1F139 A142 H155 R156F139-I151 HydrophobicContact CB-CD1 4.31Å; F139-I151 HydrophobicContact CD1-CD1 4.24Å; F139-I151 HydrophobicContact CD2-CD1 4.01Å; F139-I151 HydrophobicContact CE1-CG2 4.14Å; F139-I151 HydrophobicContact CE2-CD1 4.37Å; F139-I151 HydrophobicContact CG-CD1 3.93Å; A142-I151 HydrophobicContact CB-CD1 4.13Å; A142-I151 HydrophobicContact CB-CG1 4.25Å; I151-H155 HydrophobicContact CG2-CB 4Å; I151-R156 HydrophobicContact CB-CG 4.37Å; I151-R156 HydrophobicContact CG2-CG 3.77Å; I151-R156 PolarHBondContact O-NE 3.5Å; I151-R156 PolarHBondContact O-NH2 3Å
152G92.5Very high93.4Very high46 Ų4699.3 Ų99.347%0.47446%0.462SS..PPolyproline II helixtrans-60.8147.5178.300000111.9R150 R154 H155 R156R150-G152 PolarHBondContact O-N 3.43Å; G152-R154 VanDerWaalsContact C-N 3.28Å; G152-R154 PolarHBondContact O-N 3.22Å; G152-H155 PolarHBondContact O-N 3.37Å; G152-R156 PolarHBondContact O-N 3.06Å
153F90.6Very high93.4Very high143 Ų14398.5 Ų98.563%0.62745%0.45SS*.G310 helixtrans-53.3-42.6-173.4179.3-104.2000113.4H155 R156F153-H155 PolarHBondContact O-N 3.28Å; F153-R156 PolarHBondContact O-N 3.31Å
154R90Very high93.5Very high210 Ų210101.7 Ų101.779%0.79246%0.455SS*.G310 helixtrans-68.5-18.7178.4-66.7-177.5175.3175.2-1.7114.4G152G152-R154 VanDerWaalsContact C-N 3.28Å; G152-R154 PolarHBondContact O-N 3.22Å
155H91.8Very high93.5Very high44 Ų4498.7 Ų98.720%0.20444%0.441CS..G310 helixtrans-94.5-16.8179.4-15861.9000112.3R136 P137 F139 I151 G152 F153R136-H155 PolarHBondContact NH1-O 3.22Å; P137-H155 PolarHBondContact O-CE1 2.97Å; P137-H155 PolarHBondContact O-NE2 3.29Å; F139-H155 AromaticContact CD1-CD2 3.71Å; F139-H155 AromaticContact CD1-NE2 3.89Å; F139-H155 AromaticContact CE1-CD2 3.48Å; F139-H155 VanDerWaalsContact CE1-CD2 3.48Å; F139-H155 WeakPolarHBondContact CE1-CD2 3.37Å; F139-H155 AromaticContact CE1-NE2 3.87Å; F139-H155 VanDerWaalsContact CE1-O 3.28Å; F139-H155 WeakPolarHBondContact CE1-O 3.44Å; I151-H155 HydrophobicContact CG2-CB 4Å; G152-H155 PolarHBondContact O-N 3.37Å; F153-H155 PolarHBondContact O-N 3.28Å
156R92.1Very high93.5Very high134 Ų13488.9 Ų88.951%0.50640%0.399SS..SBendtrans-65.5153.7173.5-62.4-179-170.9-175.70.7110.3R136 I151 G152 F153R136-R156 PolarHBondContact NH1-O 2.78Å; R136-R156 VanDerWaalsContact NH1-O 3.07Å; I151-R156 HydrophobicContact CB-CG 4.37Å; I151-R156 HydrophobicContact CG2-CG 3.77Å; I151-R156 PolarHBondContact O-NE 3.5Å; I151-R156 PolarHBondContact O-NH2 3Å; G152-R156 PolarHBondContact O-N 3.06Å; F153-R156 PolarHBondContact O-N 3.31Å
157I93.7Very high93.4Very high9 Ų986 Ų865%0.04639%0.385CS..PPolyproline II helixtrans-91136.6177-59.1164.4000107.6L15 T102 L134 F139 E161 A162L15-I157 HydrophobicContact CD2-CD1 4.14Å; L15-I157 HydrophobicContact CD2-CG1 4.3Å; L15-I157 HydrophobicContact CD2-CG2 3.76Å; L15-I157 HydrophobicContact CG-CD1 4.2Å; L15-I157 HydrophobicContact CG-CG1 4.38Å; T102-I157 CarbonylContact C-O 3.54Å; L134-I157 HydrophobicContact CB-CD1 3.8Å; F139-I157 HydrophobicContact CE2-CD1 4.15Å; F139-I157 HydrophobicContact CZ-CD1 4.06Å; F139-I157 HydrophobicContact CZ-CG1 4Å; I157-E161 HydrophobicContact CG2-CB 4.22Å; I157-A162 HydrophobicContact CG2-CB 4.33Å
158R93.9Very high93.4Very high131 Ų13185.3 Ų85.349%0.49439%0.385SS..PPolyproline II helixtrans-96.3156.7172.1-64.4-178.8174.8-166.9-1.7110.3E160 E161 A162R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 3.22Å; R158-E161 HydrophobicContact CB-CG 4.21Å; R158-E161 WeakPolarHBondContact O-CB 3.26Å; R158-E161 PolarHBondContact O-N 3.4Å; R158-E161 VanDerWaalsContact O-N 3.11Å; R158-A162 PolarHBondContact O-N 2.71Å; R158-A162 VanDerWaalsContact O-N 3.12Å
159K93.7Very high93.3Very high45 Ų4585.3 Ų85.320%0.19638%0.377CS..Hα-helixtrans-49.9-45173.3-175.8168.4172.1151.10113.1K96 F99 S100 A162 M163K96-K159 WeakPolarHBondContact O-CE 3.44Å; K96-K159 PolarHBondContact O-NZ 2.84Å; F99-K159 HydrophobicContact CB-CD 4.33Å; F99-K159 HydrophobicContact CB-CG 3.83Å; F99-K159 WeakPolarHBondContact O-CD 3.21Å; F99-K159 WeakPolarHBondContact O-CE 3.28Å; F99-K159 PolarHBondContact O-NZ 3.36Å; S100-K159 WeakPolarHBondContact O-CB 3.3Å; K159-A162 PolarHBondContact O-N 3.38Å; K159-M163 HydrophobicContact CG-CE 4.24Å; K159-M163 WeakPolarHBondContact O-CG 3.44Å; K159-M163 PolarHBondContact O-N 3.26Å
160E93.1Very high93.2Very high119 Ų11985.1 Ų85.156%0.55637%0.368SS*.Hα-helixtrans-64.9-38.5179.3-64.5175.4-179.100113.4R158 A162 M163 R164R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 3.22Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-M163 HydrophobicContact CB-CE 4.33Å; E160-M163 HydrophobicContact CG-CE 4.02Å; E160-M163 PolarHBondContact O-N 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.17Å; E160-R164 PolarHBondContact O-N 3.05Å
161E92.8Very high93.1Very high59 Ų5980.6 Ų80.628%0.27636%0.361SS..Hα-helixtrans-65.3-40.6176.7-65.9175-16700110.8R136 I157 R158 R164 W165R136-E161 IonicContact CZ-OE2 2.69Å; R136-E161 IonicContact NH1-OE2 2.62Å; R136-E161 IonicContact NH2-OE2 3.07Å; R136-E161 PolarHBondContact NH2-OE2 2.79Å; I157-E161 HydrophobicContact CG2-CB 4.22Å; R158-E161 HydrophobicContact CB-CG 4.21Å; R158-E161 WeakPolarHBondContact O-CB 3.26Å; R158-E161 PolarHBondContact O-N 3.4Å; R158-E161 VanDerWaalsContact O-N 3.11Å; E161-R164 PolarHBondContact O-N 3.47Å; E161-W165 WeakPolarHBondContact O-CB 3.42Å; E161-W165 PolarHBondContact O-N 3.06Å
162A94.5Very high92.9Very high0 Ų079.2 Ų79.20%036%0.356CS..Hα-helixtrans-66-38.1176.600000112.6F99 G103 L134 I157 R158 K159 E160 W165 F166F99-A162 HydrophobicContact CD1-CB 4.15Å; G103-A162 WeakPolarHBondContact O-CB 3.42Å; L134-A162 HydrophobicContact CD1-CB 3.77Å; I157-A162 HydrophobicContact CG2-CB 4.33Å; R158-A162 PolarHBondContact O-N 2.71Å; R158-A162 VanDerWaalsContact O-N 3.12Å; K159-A162 PolarHBondContact O-N 3.38Å; E160-A162 VanDerWaalsContact C-N 3.34Å; A162-W165 PolarHBondContact O-N 3.15Å; A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.27Å
163M94.5Very high93Very high26 Ų2681.3 Ų81.313%0.12836%0.355CS..Hα-helixtrans-63.7-46.5175.1-73.8-171-61.700111.7K96 F99 K159 E160 W165 F166 Q167 I174K96-M163 HydrophobicContact CG-SD 3.89Å; F99-M163 HydrophobicContact CB-CG 4.32Å; F99-M163 HydrophobicContact CD1-CG 3.87Å; F99-M163 HydrophobicContact CD2-CG 3.79Å; F99-M163 HydrophobicContact CD2-SD 4.33Å; F99-M163 HydrophobicContact CE1-CG 4.09Å; F99-M163 HydrophobicContact CE2-CG 4.02Å; F99-M163 HydrophobicContact CG-CG 3.73Å; F99-M163 HydrophobicContact CZ-CG 4.17Å; K159-M163 HydrophobicContact CG-CE 4.24Å; K159-M163 WeakPolarHBondContact O-CG 3.44Å; K159-M163 PolarHBondContact O-N 3.26Å; E160-M163 HydrophobicContact CB-CE 4.33Å; E160-M163 HydrophobicContact CG-CE 4.02Å; E160-M163 PolarHBondContact O-N 3.3Å; M163-W165 VanDerWaalsContact C-N 3.33Å; M163-W165 PolarHBondContact O-N 3.38Å; M163-F166 PolarHBondContact O-N 2.93Å; M163-Q167 WeakPolarHBondContact O-CG 3.47Å; M163-Q167 PolarHBondContact O-N 2.95Å; M163-I174 HydrophobicContact CB-CD1 3.44Å; M163-I174 VanDerWaalsContact CB-CD1 3.44Å; M163-I174 HydrophobicContact CG-CD1 3.73Å; M163-I174 WeakPolarHBondContact O-CD1 3.36Å; M163-I174 HydrophobicContact SD-CD1 4.34Å; M163-I174 HydrophobicContact SD-CG2 4.29Å
164R94.2Very high93.1Very high168 Ų16876.2 Ų76.263%0.63433%0.334SS*.Hα-helixtrans-62-41.6175.8-70.2176.7-173.4176.92.7111.9E160 E161 F166 Q167 Q168E160-R164 WeakPolarHBondContact O-CG 3.17Å; E160-R164 PolarHBondContact O-N 3.05Å; E161-R164 PolarHBondContact O-N 3.47Å; R164-F166 VanDerWaalsContact C-N 3.32Å; R164-F166 PolarHBondContact O-N 2.84Å; R164-Q167 PolarHBondContact O-N 2.93Å; R164-Q168 WeakPolarHBondContact O-CB 3.5Å; R164-Q168 PolarHBondContact O-N 3Å
165W94.4Very high93.2Very high22 Ų2269.1 Ų69.18%0.08331%0.311CS..Hα-helixtrans-62.2-39.9176.3178.485.6000112.4L15 I17 F105 L134 E161 A162 M163 Q168 K169 Y170L15-W165 VanDerWaalsContact CB-CD1 3.44Å; L15-W165 HydrophobicContact CB-CG 3.96Å; L15-W165 HydrophobicContact CD2-CB 4.06Å; L15-W165 HydrophobicContact CD2-CG 4.15Å; L15-W165 PolarHBondContact O-NE1 3.24Å; I17-W165 HydrophobicContact CD1-CH2 4.03Å; I17-W165 HydrophobicContact CG1-CH2 3.63Å; I17-W165 HydrophobicContact CG1-CZ2 4Å; F105-W165 HydrophobicContact CE1-CE3 4.43Å; F105-W165 AromaticContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CE1-CZ3 3.95Å; F105-W165 HydrophobicContact CZ-CZ3 4.14Å; L134-W165 HydrophobicContact CD1-CD2 4.27Å; L134-W165 HydrophobicContact CD1-CE3 3.89Å; L134-W165 HydrophobicContact CD1-CZ3 4.32Å; L134-W165 HydrophobicContact CD2-CD2 4.41Å; L134-W165 HydrophobicContact CD2-CE3 4.01Å; L134-W165 HydrophobicContact CD2-CH2 3.71Å; L134-W165 HydrophobicContact CD2-CZ2 4.11Å; L134-W165 HydrophobicContact CD2-CZ3 3.67Å; E161-W165 WeakPolarHBondContact O-CB 3.42Å; E161-W165 PolarHBondContact O-N 3.06Å; A162-W165 PolarHBondContact O-N 3.15Å; M163-W165 VanDerWaalsContact C-N 3.33Å; M163-W165 PolarHBondContact O-N 3.38Å; W165-Q168 PolarHBondContact O-N 3.46Å; W165-K169 HydrophobicContact CH2-CD 3.77Å; W165-K169 HydrophobicContact CZ2-CD 3.29Å; W165-K169 HydrophobicContact CZ2-CG 4.49Å; W165-K169 WeakPolarHBondContact O-CB 3.4Å; W165-K169 PolarHBondContact O-N 2.96Å; W165-Y170 AromaticContact CH2-CE2 3.75Å; W165-Y170 HydrophobicContact CH2-CE2 3.75Å; W165-Y170 HydrophobicContact CZ3-CD2 4.34Å; W165-Y170 AromaticContact CZ3-CE2 3.91Å; W165-Y170 HydrophobicContact CZ3-CE2 3.91Å
166F94.4Very high93.1Very high0 Ų072.1 Ų72.10%034%0.335CS..Hα-helixtrans-64.2-44176.5179.1-107.2000111.8L87 L94 F99 F105 A162 M163 R164 Y170 I174L87-F166 HydrophobicContact CD1-CE2 3.78Å; L87-F166 HydrophobicContact CD2-CE2 3.61Å; L87-F166 HydrophobicContact CD2-CZ 3.92Å; L87-F166 HydrophobicContact CG-CE2 4.35Å; L94-F166 HydrophobicContact CB-CE1 4.16Å; L94-F166 HydrophobicContact CB-CZ 4.42Å; L94-F166 HydrophobicContact CD1-CD1 4.35Å; L94-F166 HydrophobicContact CD1-CD2 4.18Å; L94-F166 HydrophobicContact CD1-CE1 3.85Å; L94-F166 HydrophobicContact CD1-CE2 3.68Å; L94-F166 HydrophobicContact CD1-CZ 3.5Å; L94-F166 VanDerWaalsContact CD1-CZ 3.5Å; L94-F166 HydrophobicContact CG-CE1 4.02Å; L94-F166 HydrophobicContact CG-CE2 4.43Å; L94-F166 HydrophobicContact CG-CZ 3.78Å; F99-F166 HydrophobicContact CE1-CB 4.13Å; F99-F166 HydrophobicContact CE1-CG 4.5Å; F99-F166 HydrophobicContact CZ-CB 4.06Å; F99-F166 HydrophobicContact CZ-CD1 4.02Å; F99-F166 HydrophobicContact CZ-CG 4.05Å; F105-F166 HydrophobicContact CE2-CD2 4.4Å; F105-F166 HydrophobicContact CZ-CD2 4.27Å; A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.27Å; M163-F166 PolarHBondContact O-N 2.93Å; R164-F166 VanDerWaalsContact C-N 3.32Å; R164-F166 PolarHBondContact O-N 2.84Å; F166-Y170 HydrophobicContact CD2-CD2 4.07Å; F166-Y170 HydrophobicContact CE2-CD2 4.33Å; F166-Y170 PolarHBondContact O-N 3.49Å; F166-Y170 VanDerWaalsContact O-N 3.12Å; F166-I174 HydrophobicContact CD1-CD1 4.29Å; F166-I174 HydrophobicContact CD1-CG1 4.07Å
167Q94.4Very high92.4Very high92 Ų9267.3 Ų67.343%0.4333%0.326SS..Hα-helixtrans-62-41.9174.2-71.6174.7-30.800112M163 R164 D171 G172 I174M163-Q167 WeakPolarHBondContact O-CG 3.47Å; M163-Q167 PolarHBondContact O-N 2.95Å; R164-Q167 PolarHBondContact O-N 2.93Å; Q167-D171 WeakPolarHBondContact O-CA 3.39Å; Q167-D171 PolarHBondContact O-N 3.24Å; Q167-D171 VanDerWaalsContact O-N 3.15Å; Q167-G172 WeakPolarHBondContact CG-O 3.08Å; Q167-I174 HydrophobicContact CG-CD1 3.88Å; Q167-I174 HydrophobicContact CG-CG1 4.17Å
168Q93.7Very high90.8Very high162 Ų16278.2 Ų78.276%0.75737%0.374SS*.Hα-helixtrans-75.3-38.2-176.7-173.1-178.614.700113.4R164 W165R164-Q168 WeakPolarHBondContact O-CB 3.5Å; R164-Q168 PolarHBondContact O-N 3Å; W165-Q168 PolarHBondContact O-N 3.46Å
169K92.8Very high90.7Very high84 Ų8475.6 Ų75.637%0.36537%0.368SS..Hα-helixtrans-86.1-35.6-173.9-174.1172.6-177.5174.50113.2E80 W165E80-K169 IonicContact OE1-NZ 3.58Å; E80-K169 PolarHBondContact OE1-NZ 3.15Å; W165-K169 HydrophobicContact CH2-CD 3.77Å; W165-K169 HydrophobicContact CZ2-CD 3.29Å; W165-K169 HydrophobicContact CZ2-CG 4.49Å; W165-K169 WeakPolarHBondContact O-CB 3.4Å; W165-K169 PolarHBondContact O-N 2.96Å
170Y92.5Very high90.5Very high25 Ų2577.2 Ų77.210%0.09838%0.377CS..Hα-helixtrans-120.28.3-172-66.7-72.2000112.9L83 L87 Y92 W165 F166 G172L83-Y170 HydrophobicContact CD2-CE2 4.18Å; L87-Y170 HydrophobicContact CD1-CD1 3.91Å; L87-Y170 HydrophobicContact CD1-CD2 3.99Å; L87-Y170 HydrophobicContact CD1-CE1 4.15Å; L87-Y170 HydrophobicContact CD1-CE2 4.22Å; L87-Y170 HydrophobicContact CD1-CG 3.83Å; Y92-Y170 WeakPolarHBondContact CD1-O 3.27Å; Y92-Y170 HydrophobicContact CE1-CD1 4.37Å; W165-Y170 AromaticContact CH2-CE2 3.75Å; W165-Y170 HydrophobicContact CH2-CE2 3.75Å; W165-Y170 HydrophobicContact CZ3-CD2 4.34Å; W165-Y170 AromaticContact CZ3-CE2 3.91Å; W165-Y170 HydrophobicContact CZ3-CE2 3.91Å; F166-Y170 HydrophobicContact CD2-CD2 4.07Å; F166-Y170 HydrophobicContact CE2-CD2 4.33Å; F166-Y170 PolarHBondContact O-N 3.49Å; F166-Y170 VanDerWaalsContact O-N 3.12Å; Y170-G172 PolarHBondContact O-N 3.45Å
171D92.1Very high90.4Very high140 Ų14074.9 Ų74.975%0.74937%0.367SS*.  trans49.730.6-174.5-61.8-45.4000112.9Q167Q167-D171 WeakPolarHBondContact O-CA 3.39Å; Q167-D171 PolarHBondContact O-N 3.24Å; Q167-D171 VanDerWaalsContact O-N 3.15Å
172G89.6Confident90.2Very high5 Ų575.8 Ų75.85%0.05237%0.372CS..  trans-77.7145.1-167.700000113.6Y92 Q167 Y170Y92-G172 CarbonylContact O-C 3.54Å; Y92-G172 VanDerWaalsContact O-CA 3.27Å; Y92-G172 WeakPolarHBondContact O-CA 3.19Å; Q167-G172 WeakPolarHBondContact CG-O 3.08Å; Y170-G172 PolarHBondContact O-N 3.45Å
173I93.5Very high90Very high90 Ų9080.6 Ų80.646%0.46240%0.395SS..EExtended strand (participates in β ladder)trans-91.5128.5-179.8-59171.1000108.9Y92 E93 L94 L175Y92-I173 PolarHBondContact O-N 2.84Å; E93-I173 WeakPolarHBondContact CA-O 3.39Å; E93-I173 HydrophobicContact CG-CB 4.33Å; L94-I173 PolarHBondContact N-O 2.61Å; I173-L175 HydrophobicContact CG2-CD2 4.15Å
174I93.5Very high89.7Confident36 Ų3684.2 Ų84.219%0.18541%0.413CS..EExtended strand (participates in β ladder)trans-105.6106.5177.6-57.2179.6000109.6L94 K96 F99 M163 F166 Q167L94-I174 CarbonylContact O-C 3.42Å; L94-I174 VanDerWaalsContact O-CA 3.27Å; L94-I174 WeakPolarHBondContact O-CA 3.43Å; K96-I174 HydrophobicContact CB-CG2 4.34Å; F99-I174 HydrophobicContact CE2-CD1 4.16Å; F99-I174 HydrophobicContact CE2-CG1 4.39Å; F99-I174 HydrophobicContact CE2-CG2 4.49Å; F99-I174 HydrophobicContact CZ-CD1 4.13Å; M163-I174 HydrophobicContact CB-CD1 3.44Å; M163-I174 VanDerWaalsContact CB-CD1 3.44Å; M163-I174 HydrophobicContact CG-CD1 3.73Å; M163-I174 WeakPolarHBondContact O-CD1 3.36Å; M163-I174 HydrophobicContact SD-CD1 4.34Å; M163-I174 HydrophobicContact SD-CG2 4.29Å; F166-I174 HydrophobicContact CD1-CD1 4.29Å; F166-I174 HydrophobicContact CD1-CG1 4.07Å; Q167-I174 HydrophobicContact CG-CD1 3.88Å; Q167-I174 HydrophobicContact CG-CG1 4.17Å
175L92.6Very high89.3Confident60 Ų6078.2 Ų78.231%0.31440%0.397SS..EExtended strand (participates in β ladder)trans-77.2145.6176.6-60.2176.7000110.8L94 R95 K96 I173L94-L175 PolarHBondContact O-N 3.31Å; R95-L175 WeakPolarHBondContact CA-O 3.43Å; R95-L175 HydrophobicContact CG-CB 4.33Å; K96-L175 PolarHBondContact N-O 2.86Å; I173-L175 HydrophobicContact CG2-CD2 4.15Å
176P88.7Confident88.9Confident108 Ų10882.5 Ų82.570%0.70142%0.422SS*.PPolyproline II helixtrans-60.3153.7173.625.7-32.7000111.3
177G77.8Confident88.5Confident32 Ų3289.4 Ų89.433%0.3346%0.457SS..PPolyproline II helixtrans-62.9143.8171.700000110.3
178K60.7Low88Confident239 Ų23989.2 Ų89.2100%1.03946%0.459SS*.  trans-66.60160.3-94.5-168.9175.7-174.10109.4

Retrieved 178 of 178 residues in 919.7 ms (Link to these results)

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