A0A3Q0KEJ9_SCHMA Loading...

Pcdc2 (Programmed cell death protein 2)-related

AlphaFold DB , UniProt , Accession A0A3Q0KEJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.9Confident82.2Confident146 Ų14644.9 Ų44.972%0.71924%0.241SC*.  0142.80-174.8-178.6-84.600108.2L3 E160M1-L3 HydrophobicContact SD-CD2 4.32Å; M1-E160 WeakPolarHBondContact CE-OE2 3.14Å; M1-E160 HydrophobicContact SD-CB 4.02Å; M1-E160 HydrophobicContact SD-CG 3.59Å; M1-E160 VanDerWaalsContact SD-CG 3.59Å
2A90.4Very high80.6Confident2 Ų248.6 Ų48.62%0.01727%0.269CS..  trans-92.7151.417100000109.5D161 I164 Y246 W247A2-D161 HydrophobicContact CB-CB 3.9Å; A2-D161 VanDerWaalsContact O-CB 3.32Å; A2-D161 WeakPolarHBondContact O-CB 3.46Å; A2-D161 PolarHBondContact O-N 2.83Å; A2-I164 HydrophobicContact CB-CD1 3.39Å; A2-Y246 CarbonylContact C-O 3.6Å; A2-Y246 WeakPolarHBondContact CA-O 3.48Å; A2-W247 HydrophobicContact CB-CB 3.84Å; A2-W247 HydrophobicContact CB-CD2 3.68Å; A2-W247 HydrophobicContact CB-CE3 4.06Å; A2-W247 HydrophobicContact CB-CG 3.63Å
3L93.6Very high79.5Confident13 Ų1348.7 Ų48.77%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-130.3142.7-178.4-60169.6000108.4M1 W109 I158 Y159 E160 R245 Y246M1-L3 HydrophobicContact SD-CD2 4.32Å; L3-W109 HydrophobicContact CB-CZ3 3.92Å; L3-W109 HydrophobicContact CD1-CB 4.26Å; L3-W109 HydrophobicContact CD1-CD2 3.87Å; L3-W109 HydrophobicContact CD1-CE3 2.99Å; L3-W109 HydrophobicContact CD1-CG 4.44Å; L3-W109 HydrophobicContact CD1-CH2 4.4Å; L3-W109 HydrophobicContact CD1-CZ3 3.25Å; L3-W109 HydrophobicContact CG-CE3 4.3Å; L3-W109 HydrophobicContact CG-CZ3 4.19Å; L3-I158 HydrophobicContact CB-CG2 4.07Å; L3-I158 HydrophobicContact CD1-CG2 4.43Å; L3-Y159 CarbonylContact C-O 3.56Å; L3-Y159 VanDerWaalsContact CA-O 3.24Å; L3-Y159 WeakPolarHBondContact CA-O 3.21Å; L3-E160 HydrophobicContact CD2-CB 4.2Å; L3-E160 HydrophobicContact CD2-CG 3.81Å; L3-R245 CarbonylContact O-C 3.54Å; L3-R245 WeakPolarHBondContact O-CA 3.29Å; L3-Y246 HydrophobicContact CD1-CD1 4.4Å; L3-Y246 PolarHBondContact N-O 3.1Å; L3-Y246 PolarHBondContact O-N 2.95Å
4V93.6Very high79Confident7 Ų750.7 Ų50.74%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-112.1139.5179.2-64.30000109.6Y6 I158 Y159 D161 E242V4-Y6 HydrophobicContact CB-CE2 4.29Å; V4-Y6 HydrophobicContact CG2-CE2 3.85Å; V4-I158 WeakPolarHBondContact O-CA 3.48Å; V4-Y159 PolarHBondContact N-O 3.36Å; V4-Y159 PolarHBondContact O-N 2.88Å; V4-D161 HydrophobicContact CG1-CB 4.08Å; V4-E242 HydrophobicContact CB-CB 3.88Å; V4-E242 HydrophobicContact CB-CG 4.01Å; V4-E242 HydrophobicContact CG1-CB 4.29Å; V4-E242 HydrophobicContact CG1-CG 3.95Å
5G93.7Very high78.8Confident1 Ų151.2 Ų51.21%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-120.9130.7-179.500000111.3D157 D243 I244G5-D157 CarbonylContact C-O 3.56Å; G5-D157 VanDerWaalsContact CA-O 3.26Å; G5-D157 WeakPolarHBondContact CA-O 3.47Å; G5-D243 PolarHBondContact O-N 2.76Å; G5-I244 PolarHBondContact N-O 3.5Å; G5-I244 PolarHBondContact O-N 2.78Å; G5-I244 VanDerWaalsContact O-N 3.16Å
6Y93.1Very high79.2Confident49 Ų4948.6 Ų48.619%0.19228%0.278CS..EExtended strand (participates in β ladder)trans-115.9127.7172.9-61.3-92000108.9V4 N8 D157 Y159 G240 E242V4-Y6 HydrophobicContact CB-CE2 4.29Å; V4-Y6 HydrophobicContact CG2-CE2 3.85Å; Y6-N8 PolarHBondContact O-N 3.15Å; Y6-D157 PolarHBondContact N-O 2.78Å; Y6-D157 PolarHBondContact O-N 3.26Å; Y6-Y159 AromaticContact CD2-CD2 3.9Å; Y6-Y159 HydrophobicContact CD2-CD2 3.9Å; Y6-Y159 AromaticContact CD2-CE2 3.99Å; Y6-Y159 HydrophobicContact CD2-CE2 3.99Å; Y6-Y159 HydrophobicContact CE2-CD2 4.21Å; Y6-G240 PolarHBondContact OH-O 2.92Å; Y6-E242 HydrophobicContact CD1-CB 4.41Å; Y6-E242 VanDerWaalsContact CE1-CA 3.42Å; Y6-E242 HydrophobicContact CE1-CB 3.92Å; Y6-E242 HydrophobicContact CE2-CB 4.21Å
7I91.4Very high79.8Confident16 Ų1648.3 Ų48.38%0.08228%0.275CS..EExtended strand (participates in β ladder)trans-76.8108.4177.3-62.3161.9000107.3F23 Y154 I156 D243 I285I7-F23 HydrophobicContact CD1-CB 3.94Å; I7-F23 HydrophobicContact CD1-CD1 4.31Å; I7-F23 HydrophobicContact CD1-CD2 3.44Å; I7-F23 VanDerWaalsContact CD1-CD2 3.44Å; I7-F23 HydrophobicContact CD1-CE2 3.96Å; I7-F23 HydrophobicContact CD1-CG 3.62Å; I7-F23 HydrophobicContact CG1-CB 3.94Å; I7-F23 HydrophobicContact CG1-CD2 4.37Å; I7-F23 HydrophobicContact CG1-CG 4.14Å; I7-F23 HydrophobicContact CG2-CB 3.95Å; I7-F23 HydrophobicContact CG2-CD1 3.98Å; I7-F23 HydrophobicContact CG2-CG 4.04Å; I7-Y154 VanDerWaalsContact CG2-CB 3.47Å; I7-Y154 HydrophobicContact CG2-CD2 4.34Å; I7-Y154 HydrophobicContact CG2-CG 4.05Å; I7-I156 HydrophobicContact CG1-CG1 4.23Å; I7-D243 WeakPolarHBondContact CB-OD2 3.31Å; I7-D243 HydrophobicContact CD1-CB 3.8Å; I7-D243 HydrophobicContact CG1-CB 4.02Å; I7-D243 PolarHBondContact N-OD2 2.99Å; I7-I285 HydrophobicContact CD1-CD1 4.16Å; I7-I285 HydrophobicContact CD1-CG1 3.64Å
8N79.8Confident80.4Confident78 Ų7845.7 Ų45.742%0.41726%0.26SS..  trans-111.5-179.8-173.8-161.710.4000112Y6 Y154 S155 D157Y6-N8 PolarHBondContact O-N 3.15Å; N8-Y154 WeakPolarHBondContact O-CB 3.5Å; N8-Y154 VanDerWaalsContact O-CD1 3.29Å; N8-Y154 WeakPolarHBondContact O-CD1 3.38Å; N8-S155 PolarHBondContact N-O 3.04Å; N8-S155 VanDerWaalsContact N-O 3.09Å; N8-D157 WeakPolarHBondContact CB-OD2 3.26Å; N8-D157 VanDerWaalsContact CG-OD2 3.27Å; N8-D157 PolarHBondContact ND2-OD2 3.26Å
9S64.9Low81.1Confident71 Ų7145.9 Ų45.950%0.49726%0.257SS..  trans-48.2143.3-172.260.50000114.8T11S9-T11 PolarHBondContact O-N 3.47Å; S9-T11 VanDerWaalsContact O-N 3.15Å
10Q62Low81.6Confident54 Ų5445.9 Ų45.925%0.25225%0.254SS..  trans-53.4119.8167.6-86.1163.217.300108.7P12 T133 C153 Y154Q10-P12 WeakPolarHBondContact O-CD 3.21Å; Q10-T133 PolarHBondContact OE1-O 2.97Å; Q10-C153 WeakPolarHBondContact CG-O 3.25Å; Q10-Y154 HydrophobicContact CB-CE1 4.47Å; Q10-Y154 HydrophobicContact CG-CD1 3.8Å; Q10-Y154 HydrophobicContact CG-CE1 3.66Å
11T58Low82.2Confident57 Ų5744.4 Ų44.435%0.3525%0.248SC..  trans-79.9103.1167.138.90000108.3S9 G13 H14S9-T11 PolarHBondContact O-N 3.47Å; S9-T11 VanDerWaalsContact O-N 3.15Å; T11-G13 PolarHBondContact O-N 3.09Å; T11-G13 VanDerWaalsContact O-N 3.16Å; T11-H14 WeakPolarHBondContact O-CB 3.44Å; T11-H14 PolarHBondContact O-N 2.88Å; T11-H14 VanDerWaalsContact O-N 3.09Å; T11-H14 WeakPolarHBondContact OG1-CB 3.3Å
12P62.2Low82.7Confident89 Ų8937.5 Ų37.558%0.57821%0.214SC*.THydrogen-bonded Turntrans-60.2122.4-172.4-27.741.2000111.5Q10 H14 T133Q10-P12 WeakPolarHBondContact O-CD 3.21Å; P12-H14 VanDerWaalsContact C-N 3.26Å; P12-H14 PolarHBondContact O-N 3.2Å; P12-T133 HydrophobicContact CB-CG2 3.61Å; P12-T133 HydrophobicContact CG-CG2 4.13Å
13G67.4Low82.9Confident50 Ų5037.4 Ų37.452%0.51521%0.213SC..THydrogen-bonded Turntrans78.52.8178.300000115.2T11 I15T11-G13 PolarHBondContact O-N 3.09Å; T11-G13 VanDerWaalsContact O-N 3.16Å; G13-I15 PolarHBondContact O-N 3.07Å
14H71.3Confident82.9Confident77 Ų7736.8 Ų36.836%0.35621%0.21SC..  trans-67.4130.8168.5-168.960.9000110T11 P12 E20T11-H14 WeakPolarHBondContact O-CB 3.44Å; T11-H14 PolarHBondContact O-N 2.88Å; T11-H14 VanDerWaalsContact O-N 3.09Å; T11-H14 WeakPolarHBondContact OG1-CB 3.3Å; P12-H14 VanDerWaalsContact C-N 3.26Å; P12-H14 PolarHBondContact O-N 3.2Å; H14-E20 IonicContact CD2-OE1 2.71Å; H14-E20 IonicContact CE1-OE1 3.42Å; H14-E20 IonicContact NE2-OE1 2.86Å; H14-E20 PolarHBondContact NE2-OE1 3.24Å; H14-E20 IonicContact NE2-OE2 3.49Å
15I75.9Confident82.7Confident58 Ų5837 Ų3730%0.29721%0.213SC..  trans-99.7108.7-178.7-61172.2000107.2G13 K136 E138G13-I15 PolarHBondContact O-N 3.07Å; I15-K136 WeakPolarHBondContact CA-O 3.38Å; I15-K136 WeakPolarHBondContact CG1-O 3.37Å; I15-K136 WeakPolarHBondContact CG2-O 3.11Å; I15-E138 HydrophobicContact CD1-CB 4.26Å; I15-E138 HydrophobicContact CD1-CG 4.48Å; I15-E138 HydrophobicContact CG2-CB 4.26Å; I15-E138 WeakPolarHBondContact CG2-O 3.5Å
16L85.3Confident82.6Confident9 Ų938.5 Ų38.55%0.04722%0.221CC..  trans-75147.2178.4-67.6166.7000111.2E20 F22 I28 C135 C153L16-E20 WeakPolarHBondContact CA-OE2 3.26Å; L16-E20 HydrophobicContact CD2-CB 4.28Å; L16-F22 HydrophobicContact CB-CD1 4.25Å; L16-F22 HydrophobicContact CB-CE1 4.27Å; L16-F22 HydrophobicContact CD1-CB 3.87Å; L16-F22 HydrophobicContact CD1-CD1 3.92Å; L16-F22 HydrophobicContact CD1-CD2 4.11Å; L16-F22 HydrophobicContact CD1-CE1 4.44Å; L16-F22 HydrophobicContact CD1-CG 3.72Å; L16-F22 HydrophobicContact CD2-CB 4.22Å; L16-F22 HydrophobicContact CD2-CD1 4.08Å; L16-F22 HydrophobicContact CD2-CG 4.4Å; L16-F22 HydrophobicContact CG-CD1 4.32Å; L16-I28 HydrophobicContact CB-CD1 4.05Å; L16-I28 VanDerWaalsContact O-CD1 3.24Å; L16-I28 WeakPolarHBondContact O-CD1 3.46Å; L16-C135 HydrophobicContact CD1-CB 4.47Å; L16-C153 WeakPolarHBondContact CD1-SG 3.48Å
17N89.8Confident82.7Confident44 Ų4436.2 Ų36.224%0.23521%0.212CC..  trans-129.7179.5176.168.570.1000112.8Y19 E20 Q55N17-Y19 PolarHBondContact O-N 3.47Å; N17-Y19 WeakPolarHBondContact OD1-CA 3.43Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.25Å; N17-Y19 WeakPolarHBondContact OD1-CD2 2.93Å; N17-Y19 PolarHBondContact OD1-N 3.1Å; N17-E20 PolarHBondContact N-OE2 2.69Å; N17-E20 PolarHBondContact ND2-OE2 3.48Å; N17-E20 PolarHBondContact O-N 2.82Å; N17-Q55 PolarHBondContact O-NE2 3.4Å
18C91.4Very high82.9Confident1 Ų135.6 Ų35.61%0.00721%0.209CC..THydrogen-bonded Turntrans-68.9-8.8-176.854.50000115.1I28 T29 F30C18-I28 HydrophobicContact CB-CG2 4.02Å; C18-T29 WeakPolarHBondContact CB-O 3.24Å; C18-F30 HydrophobicContact CB-CD1 3.97Å; C18-F30 HydrophobicContact CB-CE1 4.35Å
19Y92.4Very high83.6Confident51 Ų5131.9 Ų31.920%0.219%0.189CC..THydrogen-bonded Turntrans-106.115.8-178.7-47.6-66.3000112.8N17 F30 Y57 H66N17-Y19 PolarHBondContact O-N 3.47Å; N17-Y19 WeakPolarHBondContact OD1-CA 3.43Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.25Å; N17-Y19 WeakPolarHBondContact OD1-CD2 2.93Å; N17-Y19 PolarHBondContact OD1-N 3.1Å; Y19-F30 HydrophobicContact CD1-CD1 4.32Å; Y19-F30 AromaticContact CD1-CE1 3.78Å; Y19-F30 HydrophobicContact CD1-CE1 3.78Å; Y19-F30 AromaticContact CE1-CD1 3.83Å; Y19-F30 HydrophobicContact CE1-CD1 3.83Å; Y19-F30 AromaticContact CE1-CE1 3.68Å; Y19-F30 HydrophobicContact CE1-CE1 3.68Å; Y19-Y57 HydrophobicContact CD1-CE2 4.07Å; Y19-Y57 WeakPolarHBondContact O-CD1 3.23Å; Y19-H66 HydrophobicContact CD1-CB 4.42Å; Y19-H66 AromaticContact CD1-CE1 3.88Å; Y19-H66 AromaticContact CD1-CG 3.92Å; Y19-H66 AromaticContact CD1-ND1 3.56Å; Y19-H66 HydrophobicContact CE1-CB 4.19Å; Y19-H66 AromaticContact CE1-CD2 3.72Å; Y19-H66 AromaticContact CE1-CE1 3.72Å; Y19-H66 AromaticContact CE1-CG 3.59Å; Y19-H66 AromaticContact CE1-ND1 3.61Å; Y19-H66 AromaticContact CE1-NE2 3.8Å
20E91.9Very high85Confident44 Ų4428.5 Ų28.521%0.20617%0.165CC..SBendtrans-116.7155.3179.9-70.3175.5107.200111.7H14 L16 N17 F22 Q55H14-E20 IonicContact CD2-OE1 2.71Å; H14-E20 IonicContact CE1-OE1 3.42Å; H14-E20 IonicContact NE2-OE1 2.86Å; H14-E20 PolarHBondContact NE2-OE1 3.24Å; H14-E20 IonicContact NE2-OE2 3.49Å; L16-E20 WeakPolarHBondContact CA-OE2 3.26Å; L16-E20 HydrophobicContact CD2-CB 4.28Å; N17-E20 PolarHBondContact N-OE2 2.69Å; N17-E20 PolarHBondContact ND2-OE2 3.48Å; N17-E20 PolarHBondContact O-N 2.82Å; E20-F22 HydrophobicContact CB-CD1 4.45Å; E20-Q55 PolarHBondContact O-NE2 2.7Å
21S94Very high86.3Confident16 Ų1626.4 Ų26.411%0.11216%0.156CC..  trans-101.7121.7174.2-65.30000109.6Q55 Y57S21-Q55 CarbonylContact C-O 3.6Å; S21-Q55 VanDerWaalsContact CA-O 3.25Å; S21-Q55 WeakPolarHBondContact CA-O 3.2Å; S21-Y57 PolarHBondContact OG-N 3.25Å; S21-Y57 PolarHBondContact OG-O 3.44Å
22F94.5Very high87.6Confident1 Ų128 Ų280%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-150.7157.9-177.660.7-97.6000111.3L16 E20 G24 N26 I28 F52 M54 Q55 Y154L16-F22 HydrophobicContact CB-CD1 4.25Å; L16-F22 HydrophobicContact CB-CE1 4.27Å; L16-F22 HydrophobicContact CD1-CB 3.87Å; L16-F22 HydrophobicContact CD1-CD1 3.92Å; L16-F22 HydrophobicContact CD1-CD2 4.11Å; L16-F22 HydrophobicContact CD1-CE1 4.44Å; L16-F22 HydrophobicContact CD1-CG 3.72Å; L16-F22 HydrophobicContact CD2-CB 4.22Å; L16-F22 HydrophobicContact CD2-CD1 4.08Å; L16-F22 HydrophobicContact CD2-CG 4.4Å; L16-F22 HydrophobicContact CG-CD1 4.32Å; E20-F22 HydrophobicContact CB-CD1 4.45Å; F22-G24 WeakPolarHBondContact CD2-O 3.43Å; F22-G24 WeakPolarHBondContact CE2-O 3.44Å; F22-N26 VanDerWaalsContact CE2-O 3.29Å; F22-N26 WeakPolarHBondContact CE2-O 3.36Å; F22-N26 WeakPolarHBondContact CZ-O 3.41Å; F22-I28 HydrophobicContact CE1-CD1 4.17Å; F22-I28 HydrophobicContact CZ-CD1 4.11Å; F22-I28 HydrophobicContact CZ-CG1 4.09Å; F22-F52 AromaticContact CE2-CE1 3.93Å; F22-F52 HydrophobicContact CE2-CE1 3.93Å; F22-F52 AromaticContact CE2-CZ 3.95Å; F22-F52 HydrophobicContact CE2-CZ 3.95Å; F22-M54 WeakPolarHBondContact O-CA 3.3Å; F22-Q55 HydrophobicContact CD1-CB 4.24Å; F22-Q55 HydrophobicContact CD2-CB 4.39Å; F22-Q55 HydrophobicContact CE1-CB 3.89Å; F22-Q55 HydrophobicContact CE1-CG 4.12Å; F22-Q55 HydrophobicContact CE2-CB 4.02Å; F22-Q55 HydrophobicContact CG-CB 4.49Å; F22-Q55 HydrophobicContact CZ-CB 3.75Å; F22-Q55 HydrophobicContact CZ-CG 4.27Å; F22-Q55 PolarHBondContact N-O 3.41Å; F22-Q55 PolarHBondContact O-N 3.03Å; F22-Y154 WeakPolarHBondContact CA-O 2.82Å; F22-Y154 WeakPolarHBondContact CB-O 3.46Å
23F94.3Very high89Confident0 Ų024.3 Ų24.30%015%0.145CC..EExtended strand (participates in β ladder)trans-108.4140.4179170-84.9000110.3I7 I53 C153 Y154 I156 I285 S288 L289I7-F23 HydrophobicContact CD1-CB 3.94Å; I7-F23 HydrophobicContact CD1-CD1 4.31Å; I7-F23 HydrophobicContact CD1-CD2 3.44Å; I7-F23 VanDerWaalsContact CD1-CD2 3.44Å; I7-F23 HydrophobicContact CD1-CE2 3.96Å; I7-F23 HydrophobicContact CD1-CG 3.62Å; I7-F23 HydrophobicContact CG1-CB 3.94Å; I7-F23 HydrophobicContact CG1-CD2 4.37Å; I7-F23 HydrophobicContact CG1-CG 4.14Å; I7-F23 HydrophobicContact CG2-CB 3.95Å; I7-F23 HydrophobicContact CG2-CD1 3.98Å; I7-F23 HydrophobicContact CG2-CG 4.04Å; F23-I53 HydrophobicContact CD2-CG1 4.07Å; F23-I53 VanDerWaalsContact CD2-O 3.27Å; F23-I53 WeakPolarHBondContact CD2-O 3.17Å; F23-I53 HydrophobicContact CE2-CD1 3.97Å; F23-I53 HydrophobicContact CE2-CG1 3.43Å; F23-I53 VanDerWaalsContact CE2-CG1 3.43Å; F23-I53 HydrophobicContact CZ-CG1 4.14Å; F23-C153 CarbonylContact O-C 3.55Å; F23-C153 VanDerWaalsContact O-CA 3.31Å; F23-C153 WeakPolarHBondContact O-CA 3.3Å; F23-Y154 AromaticContact CD1-CD2 3.9Å; F23-Y154 HydrophobicContact CD1-CD2 3.9Å; F23-Y154 HydrophobicContact CE1-CD2 4.21Å; F23-Y154 PolarHBondContact N-O 2.65Å; F23-Y154 PolarHBondContact O-N 3.15Å; F23-I156 HydrophobicContact CB-CD1 4.41Å; F23-I156 HydrophobicContact CB-CG1 4.3Å; F23-I285 HydrophobicContact CD2-CD1 3.89Å; F23-I285 HydrophobicContact CD2-CG1 4.02Å; F23-I285 HydrophobicContact CE2-CD1 3.65Å; F23-I285 HydrophobicContact CE2-CG1 3.5Å; F23-I285 VanDerWaalsContact CE2-CG1 3.5Å; F23-I285 HydrophobicContact CZ-CG1 4.35Å; F23-S288 WeakPolarHBondContact CE1-O 3.26Å; F23-L289 HydrophobicContact CE1-CD2 4.41Å; F23-L289 HydrophobicContact CE2-CD2 3.97Å; F23-L289 HydrophobicContact CE2-CG 4.11Å; F23-L289 HydrophobicContact CZ-CB 4.29Å; F23-L289 HydrophobicContact CZ-CD2 3.39Å; F23-L289 HydrophobicContact CZ-CG 3.55Å
24G93Very high90.2Very high0 Ų028.5 Ų28.50%015%0.151CC..SBendtrans59.1-154.2-176.600000112.8F22 F52 I53 Q152F22-G24 WeakPolarHBondContact CD2-O 3.43Å; F22-G24 WeakPolarHBondContact CE2-O 3.44Å; G24-F52 WeakPolarHBondContact O-CE1 3.26Å; G24-I53 PolarHBondContact N-O 3.19Å; G24-Q152 WeakPolarHBondContact CA-O 3.4Å
25G90.9Very high91.3Very high11 Ų1126.4 Ų26.411%0.11314%0.144CC..SBendtrans68.2-152.6-174.800000112.4G149 F151G25-G149 WeakPolarHBondContact O-CA 3.38Å; G25-G149 PolarHBondContact O-N 3.03Å; G25-F151 PolarHBondContact N-O 2.72Å
26N91.8Very high92.3Very high33 Ų3324 Ų2418%0.17613%0.132CC..  trans-100.7141.8177.6-58.7-15.2000109.6F22 I137 L147 N148 G149F22-N26 VanDerWaalsContact CE2-O 3.29Å; F22-N26 WeakPolarHBondContact CE2-O 3.36Å; F22-N26 WeakPolarHBondContact CZ-O 3.41Å; N26-I137 HydrophobicContact CB-CD1 3.51Å; N26-I137 WeakPolarHBondContact ND2-CD1 3.02Å; N26-L147 WeakPolarHBondContact CA-O 3.31Å; N26-L147 WeakPolarHBondContact CB-O 3.39Å; N26-N148 PolarHBondContact ND2-OD1 3.26Å; N26-N148 VanDerWaalsContact ND2-OD1 3.09Å; N26-N148 WeakPolarHBondContact OD1-CA 3.36Å; N26-G149 PolarHBondContact OD1-N 2.79Å; N26-G149 VanDerWaalsContact OD1-N 3.11Å
27L94.9Very high92.7Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-62.7138.1168.4173.1153.7000109.2T29 P36 F52 Y70 F72 S146 L147 W330L27-T29 HydrophobicContact CD2-CG2 3.54Å; L27-P36 HydrophobicContact CD1-CG 4.44Å; L27-F52 HydrophobicContact CB-CD1 4.17Å; L27-F52 HydrophobicContact CB-CD2 3.92Å; L27-F52 HydrophobicContact CB-CE1 4.21Å; L27-F52 HydrophobicContact CB-CE2 3.96Å; L27-F52 HydrophobicContact CB-CG 4.01Å; L27-F52 HydrophobicContact CB-CZ 4.12Å; L27-F52 HydrophobicContact CD1-CD2 4.01Å; L27-F52 HydrophobicContact CD1-CE2 4.19Å; L27-F52 HydrophobicContact CG-CD2 4.44Å; L27-F52 HydrophobicContact CG-CE2 4.33Å; L27-Y70 HydrophobicContact CD1-CD1 3.32Å; L27-Y70 HydrophobicContact CD1-CE1 3.87Å; L27-Y70 HydrophobicContact CD1-CG 3.97Å; L27-Y70 HydrophobicContact CD2-CD1 4.43Å; L27-Y70 HydrophobicContact CD2-CE1 4.16Å; L27-Y70 HydrophobicContact CG-CD1 3.51Å; L27-Y70 HydrophobicContact CG-CE1 3.58Å; L27-F72 HydrophobicContact CD1-CE1 4.17Å; L27-F72 HydrophobicContact CD1-CE2 4.43Å; L27-F72 HydrophobicContact CD1-CZ 3.51Å; L27-S146 WeakPolarHBondContact O-CA 3.39Å; L27-S146 WeakPolarHBondContact O-CB 3.43Å; L27-L147 HydrophobicContact CB-CB 4.24Å; L27-L147 HydrophobicContact CD2-CB 4.44Å; L27-L147 PolarHBondContact N-O 2.97Å; L27-L147 PolarHBondContact O-N 3.25Å; L27-L147 VanDerWaalsContact O-N 3.13Å; L27-W330 HydrophobicContact CD1-CH2 4.4Å; L27-W330 HydrophobicContact CD2-CH2 4.39Å
28I95.2Very high92.9Very high3 Ų328.1 Ų28.12%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-119.7120.9175.9-52.5174.7000108.8L16 C18 F22 Q55 Y70 I137L16-I28 HydrophobicContact CB-CD1 4.05Å; L16-I28 VanDerWaalsContact O-CD1 3.24Å; L16-I28 WeakPolarHBondContact O-CD1 3.46Å; C18-I28 HydrophobicContact CB-CG2 4.02Å; F22-I28 HydrophobicContact CE1-CD1 4.17Å; F22-I28 HydrophobicContact CZ-CD1 4.11Å; F22-I28 HydrophobicContact CZ-CG1 4.09Å; I28-Q55 PolarHBondContact O-OE1 2.71Å; I28-Y70 WeakPolarHBondContact O-CE1 3.5Å; I28-Y70 PolarHBondContact O-OH 3.18Å; I28-I137 HydrophobicContact CD1-CG2 4.39Å
29T95.3Very high93.1Very high0 Ų032.8 Ų32.80%019%0.185CC..PPolyproline II helixtrans-83.6157.4-18066.60000112C18 L27 V33 S144 S145 W330C18-T29 WeakPolarHBondContact CB-O 3.24Å; L27-T29 HydrophobicContact CD2-CG2 3.54Å; T29-V33 WeakPolarHBondContact CB-O 3.04Å; T29-V33 PolarHBondContact OG1-O 3.43Å; T29-S144 VanDerWaalsContact O-CB 3.27Å; T29-S144 WeakPolarHBondContact O-CB 3.24Å; T29-S145 WeakPolarHBondContact CG2-OG 3.43Å; T29-S145 PolarHBondContact N-O 3.48Å; T29-S145 PolarHBondContact OG1-N 2.73Å; T29-S145 PolarHBondContact OG1-O 2.9Å; T29-S145 PolarHBondContact OG1-OG 2.68Å; T29-W330 HydrophobicContact CG2-CH2 4.14Å; T29-W330 HydrophobicContact CG2-CZ2 3.84Å
30F93.8Very high93.2Very high0 Ų034 Ų340%019%0.191CC..PPolyproline II helixtrans-61.1158.5164.1-69-54.6000111.5C18 Y19 C32 V33 H66 T68 Y93C18-F30 HydrophobicContact CB-CD1 3.97Å; C18-F30 HydrophobicContact CB-CE1 4.35Å; Y19-F30 HydrophobicContact CD1-CD1 4.32Å; Y19-F30 AromaticContact CD1-CE1 3.78Å; Y19-F30 HydrophobicContact CD1-CE1 3.78Å; Y19-F30 AromaticContact CE1-CD1 3.83Å; Y19-F30 HydrophobicContact CE1-CD1 3.83Å; Y19-F30 AromaticContact CE1-CE1 3.68Å; Y19-F30 HydrophobicContact CE1-CE1 3.68Å; F30-C32 PolarHBondContact O-N 3.21Å; F30-V33 HydrophobicContact CB-CG2 4.15Å; F30-V33 WeakPolarHBondContact O-CB 3.41Å; F30-V33 PolarHBondContact O-N 3.03Å; F30-V33 VanDerWaalsContact O-N 3.13Å; F30-H66 HydrophobicContact CD1-CB 4.38Å; F30-H66 HydrophobicContact CE1-CB 3.61Å; F30-H66 HydrophobicContact CE2-CB 4.44Å; F30-H66 HydrophobicContact CZ-CB 3.63Å; F30-T68 WeakPolarHBondContact CZ-OG1 3.21Å; F30-Y93 HydrophobicContact CB-CD2 4.22Å; F30-Y93 HydrophobicContact CB-CG 3.98Å; F30-Y93 VanDerWaalsContact CG-CB 3.46Å; F30-Y93 HydrophobicContact CG-CG 4.26Å
31P89.7Confident93.4Very high10 Ų1032.2 Ų32.27%0.06518%0.183CC..THydrogen-bonded Turntrans-52.8136.8176.2-2735.8000112.6V33 Y93 Q143P31-V33 PolarHBondContact O-N 2.84Å; P31-V33 VanDerWaalsContact O-N 3.15Å; P31-Y93 HydrophobicContact CB-CE2 4.13Å; P31-Y93 HydrophobicContact CG-CE1 4.4Å; P31-Y93 WeakPolarHBondContact O-CE2 2.97Å; P31-Q143 HydrophobicContact CB-CB 4.09Å
32C85.6Confident93.5Very high92 Ų9234.5 Ų34.562%0.62219%0.192SC*.THydrogen-bonded Turntrans62.69.8-179.4-53.40000115.7F30 Q143F30-C32 PolarHBondContact O-N 3.21Å; C32-Q143 PolarHBondContact N-O 3.47Å; C32-Q143 PolarHBondContact SG-OE1 2.02Å
33V91.1Very high93.6Very high11 Ų1134.5 Ų34.57%0.06719%0.192CC..PPolyproline II helixtrans-100.3120.5170.2178.30000107.8T29 F30 P31 S145 D329 W330T29-V33 WeakPolarHBondContact CB-O 3.04Å; T29-V33 PolarHBondContact OG1-O 3.43Å; F30-V33 HydrophobicContact CB-CG2 4.15Å; F30-V33 WeakPolarHBondContact O-CB 3.41Å; F30-V33 PolarHBondContact O-N 3.03Å; F30-V33 VanDerWaalsContact O-N 3.13Å; P31-V33 PolarHBondContact O-N 2.84Å; P31-V33 VanDerWaalsContact O-N 3.15Å; V33-S145 PolarHBondContact O-OG 3.1Å; V33-D329 HydrophobicContact CG1-CB 4.27Å; V33-W330 HydrophobicContact CG1-CZ2 3.83Å
34E92.4Very high93.5Very high137 Ų13738.4 Ų38.464%0.6421%0.211SC*.PPolyproline II helixtrans-72.8154.3173.3-69.4-64.6153.300110.9W330E34-W330 WeakPolarHBondContact O-CZ2 3.36Å; E34-W330 PolarHBondContact O-NE1 3.15Å
35P94.5Very high93.5Very high33 Ų3341.7 Ų41.721%0.21423%0.231CC..PPolyproline II helixtrans-57.2152.1175.4-20.634.1000111.3S145 L147P35-S145 WeakPolarHBondContact CD-OG 3.37Å; P35-S145 VanDerWaalsContact CG-OG 3.26Å; P35-S145 WeakPolarHBondContact CG-OG 3.4Å; P35-L147 HydrophobicContact CB-CB 4.2Å
36P96.2Very high93.7Very high7 Ų743.1 Ų43.15%0.04524%0.239CC..PPolyproline II helixtrans-61.4133.4-17726.5-32000109.6L27 I41 F72 L89 W330L27-P36 HydrophobicContact CD1-CG 4.44Å; P36-I41 HydrophobicContact CB-CG2 4.03Å; P36-I41 HydrophobicContact CG-CG2 3.92Å; P36-F72 HydrophobicContact CG-CZ 3.89Å; P36-L89 HydrophobicContact CB-CD1 3.64Å; P36-L89 HydrophobicContact CG-CD1 4.19Å; P36-W330 HydrophobicContact CB-CD2 3.95Å; P36-W330 HydrophobicContact CB-CE3 4.43Å; P36-W330 HydrophobicContact CB-CG 4.21Å; P36-W330 HydrophobicContact CB-CZ2 4.32Å; P36-W330 VanDerWaalsContact CD-CZ2 3.49Å; P36-W330 HydrophobicContact CG-CH2 4.43Å; P36-W330 HydrophobicContact CG-CZ2 4.29Å
37P95Very high93.8Very high62 Ų6249.6 Ų49.640%0.40326%0.261SS..PPolyproline II helixtrans-65.9154.3179.930.9-36.7000110.2D39 K40 I41P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.33Å; P37-D39 PolarHBondContact O-N 2.91Å; P37-K40 HydrophobicContact CG-CB 4.15Å; P37-K40 HydrophobicContact CG-CG 3.69Å; P37-K40 WeakPolarHBondContact O-CA 3.37Å; P37-K40 WeakPolarHBondContact O-CB 3.35Å; P37-K40 PolarHBondContact O-N 3.41Å; P37-I41 PolarHBondContact O-N 2.91Å
38V93.9Very high93.8Very high78 Ų7854.3 Ų54.347%0.47328%0.281SS..G310 helixtrans-56.3-40.6-170.2173.70000112.5K40 I41 Q42 P49V38-K40 PolarHBondContact O-N 3.22Å; V38-I41 CarbonylContact O-C 3.52Å; V38-I41 WeakPolarHBondContact O-CG1 3.49Å; V38-I41 PolarHBondContact O-N 2.76Å; V38-Q42 HydrophobicContact CG1-CG 4.02Å; V38-Q42 WeakPolarHBondContact O-CG 3.5Å; V38-Q42 PolarHBondContact O-N 2.71Å; V38-P49 HydrophobicContact CG1-CB 4.42Å; V38-P49 HydrophobicContact CG1-CG 3.87Å
39D94Very high93.7Very high99 Ų9957.6 Ų57.653%0.52930%0.303SS..G310 helixtrans-59.5-31.7177.964.2-65000112.8P37 I41P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.33Å; P37-D39 PolarHBondContact O-N 2.91Å; D39-I41 VanDerWaalsContact C-N 3.29Å; D39-I41 PolarHBondContact O-N 2.92Å
40K95.3Very high93.7Very high76 Ų7658 Ų5833%0.3331%0.305SS..G310 helixtrans-70.9-23.1173.8-72.1-77179.4173.90112.6P37 V38 K87 L89P37-K40 HydrophobicContact CG-CB 4.15Å; P37-K40 HydrophobicContact CG-CG 3.69Å; P37-K40 WeakPolarHBondContact O-CA 3.37Å; P37-K40 WeakPolarHBondContact O-CB 3.35Å; P37-K40 PolarHBondContact O-N 3.41Å; V38-K40 PolarHBondContact O-N 3.22Å; K40-K87 WeakPolarHBondContact O-CD 3.46Å; K40-K87 WeakPolarHBondContact O-CE 3.3Å; K40-K87 PolarHBondContact O-NZ 3.07Å; K40-L89 HydrophobicContact CB-CD1 4.39Å
41I96.3Very high93.7Very high7 Ų759.4 Ų59.44%0.03631%0.313CS..G310 helixtrans-11720-17959.9168.9000113.3P36 P37 V38 D39 M50 F72 L89 L147P36-I41 HydrophobicContact CB-CG2 4.03Å; P36-I41 HydrophobicContact CG-CG2 3.92Å; P37-I41 PolarHBondContact O-N 2.91Å; V38-I41 CarbonylContact O-C 3.52Å; V38-I41 WeakPolarHBondContact O-CG1 3.49Å; V38-I41 PolarHBondContact O-N 2.76Å; D39-I41 VanDerWaalsContact C-N 3.29Å; D39-I41 PolarHBondContact O-N 2.92Å; I41-M50 WeakPolarHBondContact O-CB 3.43Å; I41-M50 WeakPolarHBondContact O-CG 3.48Å; I41-M50 PolarHBondContact O-N 2.78Å; I41-F72 HydrophobicContact CB-CD1 4.34Å; I41-F72 HydrophobicContact CD1-CE1 4.46Å; I41-F72 HydrophobicContact CG2-CD1 3.96Å; I41-F72 HydrophobicContact CG2-CD2 4.11Å; I41-F72 HydrophobicContact CG2-CE1 3.84Å; I41-F72 HydrophobicContact CG2-CE2 3.99Å; I41-F72 HydrophobicContact CG2-CG 4.09Å; I41-F72 HydrophobicContact CG2-CZ 3.85Å; I41-L89 HydrophobicContact CG2-CD1 3.88Å; I41-L147 HydrophobicContact CD1-CD2 3.91Å
42Q95.8Very high94Very high65 Ų6559.1 Ų59.130%0.30431%0.311SS..BIsolated β-bridgetrans-77140.6175.5-86171.7-0.200112.7V38 R47V38-Q42 HydrophobicContact CG1-CG 4.02Å; V38-Q42 WeakPolarHBondContact O-CG 3.5Å; V38-Q42 PolarHBondContact O-N 2.71Å; Q42-R47 WeakPolarHBondContact CG-O 2.98Å
43C95.8Very high94.5Very high0 Ų054.8 Ų54.80%028%0.281CS..  trans-65.3130.3169-176.70000111.3V45 C46 R47 K48 M50 C74C43-V45 PolarHBondContact O-N 2.78Å; C43-V45 PolarHBondContact SG-N 2.79Å; C43-C46 VanDerWaalsContact CB-SG 3.55Å; C43-R47 WeakPolarHBondContact O-CA 3.4Å; C43-R47 WeakPolarHBondContact O-CD 3.24Å; C43-R47 PolarHBondContact O-N 3.37Å; C43-K48 WeakPolarHBondContact CB-O 3.28Å; C43-K48 PolarHBondContact N-O 2.88Å; C43-M50 HydrophobicContact CB-CE 4.26Å; C43-M50 HydrophobicContact CB-CG 4.16Å; C43-C74 HydrophobicContact CB-CB 3.83Å
44M92.2Very high94.8Very high82 Ų8254.2 Ų54.240%0.40428%0.278SS..THydrogen-bonded Turntrans-66.1-24.6178.9-63.5-165.4-70.900113.1R47 N84 I347M44-R47 PolarHBondContact O-NE 2.87Å; M44-N84 HydrophobicContact CE-CB 3.84Å; M44-N84 WeakPolarHBondContact CE-OD1 3.41Å; M44-I347 HydrophobicContact CE-CB 4.46Å; M44-I347 HydrophobicContact CE-CD1 4.34Å; M44-I347 HydrophobicContact CE-CG1 4.12Å; M44-I347 HydrophobicContact CE-CG2 3.64Å
45V94Very high95Very high69 Ų6947.7 Ų47.742%0.41825%0.247SC..THydrogen-bonded Turntrans-87.2-64.9-178-175.80000111.1C43 C79 N84C43-V45 PolarHBondContact O-N 2.78Å; C43-V45 PolarHBondContact SG-N 2.79Å; V45-C79 HydrophobicContact CB-CB 4.12Å; V45-C79 HydrophobicContact CG1-CB 4.43Å; V45-C79 HydrophobicContact CG2-CB 4.41Å; V45-N84 HydrophobicContact CG2-CB 4.04Å
46C94.4Very high95.2Very high41 Ų4146.1 Ų46.128%0.27724%0.237SC..THydrogen-bonded Turntrans-93.3-7.4-173.770.50000114.7C43 K48 C74C43-C46 VanDerWaalsContact CB-SG 3.55Å; C46-K48 PolarHBondContact O-N 2.77Å; C46-C74 VanDerWaalsContact SG-SG 3.68Å
47R94.9Very high95.2Very high170 Ų17046 Ų4664%0.64224%0.236SC*.  trans61.52.3-177.6-53.1-60.3-179.2131.6-0.5116.1Q42 C43 M44Q42-R47 WeakPolarHBondContact CG-O 2.98Å; C43-R47 WeakPolarHBondContact O-CA 3.4Å; C43-R47 WeakPolarHBondContact O-CD 3.24Å; C43-R47 PolarHBondContact O-N 3.37Å; M44-R47 PolarHBondContact O-NE 2.87Å
48K93.6Very high95.2Very high98 Ų9843.1 Ų43.143%0.42622%0.217SC..SBendtrans-69.6153.1167.5-65.6-172.6168.9-164.90110.4C43 C46 E298C43-K48 WeakPolarHBondContact CB-O 3.28Å; C43-K48 PolarHBondContact N-O 2.88Å; C46-K48 PolarHBondContact O-N 2.77Å; K48-E298 VanDerWaalsContact NZ-CD 3.27Å; K48-E298 IonicContact NZ-OE1 3.93Å; K48-E298 PolarHBondContact NZ-OE1 3.36Å; K48-E298 IonicContact NZ-OE2 3.89Å; K48-E298 PolarHBondContact NZ-OE2 2.83Å
49P94.3Very high95.3Very high73 Ų7340.3 Ų40.347%0.47420%0.2SC..BIsolated β-bridgetrans-55.5139.3168.7-19.330.7000110.8V38V38-P49 HydrophobicContact CG1-CB 4.42Å; V38-P49 HydrophobicContact CG1-CG 3.87Å
50M95.4Very high95.2Very high7 Ų737 Ų373%0.03418%0.182CC..PPolyproline II helixtrans-79.2156.4172.2-65.9-174.9-178.700110.6I41 C43 F72 C74 N85 K87I41-M50 WeakPolarHBondContact O-CB 3.43Å; I41-M50 WeakPolarHBondContact O-CG 3.48Å; I41-M50 PolarHBondContact O-N 2.78Å; C43-M50 HydrophobicContact CB-CE 4.26Å; C43-M50 HydrophobicContact CB-CG 4.16Å; M50-F72 HydrophobicContact CB-CB 3.87Å; M50-F72 HydrophobicContact SD-CB 4.19Å; M50-C74 HydrophobicContact CG-CB 4.13Å; M50-N85 WeakPolarHBondContact CE-O 3.48Å; M50-K87 HydrophobicContact CE-CB 4.18Å; M50-K87 HydrophobicContact SD-CB 3.75Å
51D94.2Very high94.6Very high30 Ų3036.2 Ų36.216%0.1620%0.195CC..EExtended strand (participates in β ladder)trans-86.9132.8178.2-58.3-51.1000110.3F72 V73 I75 R150 F151D51-F72 CarbonylContact O-C 3.5Å; D51-F72 VanDerWaalsContact O-CA 3.23Å; D51-F72 WeakPolarHBondContact O-CA 3.12Å; D51-V73 WeakPolarHBondContact CB-O 3.46Å; D51-V73 PolarHBondContact N-O 3.18Å; D51-V73 PolarHBondContact O-N 3.39Å; D51-I75 WeakPolarHBondContact OD2-CG1 3.21Å; D51-R150 HydrophobicContact CB-CG 4.3Å; D51-R150 WeakPolarHBondContact OD1-CD 3.3Å; D51-R150 IonicContact OD1-CZ 3.15Å; D51-R150 IonicContact OD1-NE 2.68Å; D51-R150 IonicContact OD1-NH1 3.36Å; D51-R150 PolarHBondContact OD1-NH1 3.14Å; D51-R150 VanDerWaalsContact OD2-CD 3.23Å; D51-R150 WeakPolarHBondContact OD2-CD 3.22Å; D51-R150 IonicContact OD2-CZ 3.46Å; D51-R150 IonicContact OD2-NE 2.71Å; D51-R150 IonicContact OD2-NH1 3.84Å; D51-R150 PolarHBondContact OD2-NH1 3.24Å; D51-F151 HydrophobicContact CB-CE2 3.84Å; D51-F151 HydrophobicContact CB-CZ 4.3Å
52F95.9Very high93.9Very high5 Ų544.2 Ų44.22%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-67.2130.7169.6170.2-105.5000110F22 G24 L27 M54 Q55 Y70 F72 F151F22-F52 AromaticContact CE2-CE1 3.93Å; F22-F52 HydrophobicContact CE2-CE1 3.93Å; F22-F52 AromaticContact CE2-CZ 3.95Å; F22-F52 HydrophobicContact CE2-CZ 3.95Å; G24-F52 WeakPolarHBondContact O-CE1 3.26Å; L27-F52 HydrophobicContact CB-CD1 4.17Å; L27-F52 HydrophobicContact CB-CD2 3.92Å; L27-F52 HydrophobicContact CB-CE1 4.21Å; L27-F52 HydrophobicContact CB-CE2 3.96Å; L27-F52 HydrophobicContact CB-CG 4.01Å; L27-F52 HydrophobicContact CB-CZ 4.12Å; L27-F52 HydrophobicContact CD1-CD2 4.01Å; L27-F52 HydrophobicContact CD1-CE2 4.19Å; L27-F52 HydrophobicContact CG-CD2 4.44Å; L27-F52 HydrophobicContact CG-CE2 4.33Å; F52-M54 WeakPolarHBondContact CE2-O 3.41Å; F52-M54 VanDerWaalsContact CZ-C 3.41Å; F52-Q55 HydrophobicContact CE2-CB 4.2Å; F52-Q55 HydrophobicContact CZ-CB 3.77Å; F52-Y70 HydrophobicContact CE2-CD1 4.12Å; F52-F72 HydrophobicContact CB-CD1 3.98Å; F52-F72 HydrophobicContact CB-CE1 3.84Å; F52-F72 HydrophobicContact CD2-CE1 4.11Å; F52-F72 HydrophobicContact CD2-CZ 4.26Å; F52-F72 HydrophobicContact CG-CE1 4.46Å; F52-F151 WeakPolarHBondContact O-CD2 3.35Å
53I95.9Very high93.6Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-118.9-31-178.3-166.9168.3000113.6F23 G24 I71 V73 W86 F151 I285 L289 L308F23-I53 HydrophobicContact CD2-CG1 4.07Å; F23-I53 VanDerWaalsContact CD2-O 3.27Å; F23-I53 WeakPolarHBondContact CD2-O 3.17Å; F23-I53 HydrophobicContact CE2-CD1 3.97Å; F23-I53 HydrophobicContact CE2-CG1 3.43Å; F23-I53 VanDerWaalsContact CE2-CG1 3.43Å; F23-I53 HydrophobicContact CZ-CG1 4.14Å; G24-I53 PolarHBondContact N-O 3.19Å; I53-I71 HydrophobicContact CG2-CB 3.8Å; I53-I71 HydrophobicContact CG2-CG2 3.55Å; I53-I71 WeakPolarHBondContact CG2-O 3.27Å; I53-I71 PolarHBondContact N-O 2.83Å; I53-V73 HydrophobicContact CB-CG1 4.24Å; I53-V73 HydrophobicContact CD1-CG1 4.06Å; I53-V73 HydrophobicContact CG2-CG1 4.4Å; I53-W86 HydrophobicContact CG2-CZ3 4.38Å; I53-F151 HydrophobicContact CG1-CD2 4.5Å; I53-I285 HydrophobicContact CD1-CD1 4.2Å; I53-L289 HydrophobicContact CD1-CD1 4.02Å; I53-L289 HydrophobicContact CD1-CD2 3.62Å; I53-L289 HydrophobicContact CD1-CG 4.21Å; I53-L289 HydrophobicContact CG1-CD2 3.96Å; I53-L308 HydrophobicContact CD1-CD1 3.72Å
54M96.9Very high93.4Very high0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-159.8138.8-173.9-178.61716700112.2F22 F52 I71 I156 I244 L279 I281F22-M54 WeakPolarHBondContact O-CA 3.3Å; F52-M54 WeakPolarHBondContact CE2-O 3.41Å; F52-M54 VanDerWaalsContact CZ-C 3.41Å; M54-I71 HydrophobicContact CB-CB 4.32Å; M54-I71 HydrophobicContact CB-CD1 4.07Å; M54-I71 HydrophobicContact CE-CD1 3.55Å; M54-I71 HydrophobicContact CE-CG1 3.92Å; M54-I71 HydrophobicContact CG-CD1 4.18Å; M54-I71 WeakPolarHBondContact O-CD1 3.4Å; M54-I71 PolarHBondContact O-N 3.18Å; M54-I156 HydrophobicContact CG-CD1 3.95Å; M54-I156 HydrophobicContact SD-CD1 3.74Å; M54-I244 HydrophobicContact CE-CG2 3.95Å; M54-I244 HydrophobicContact SD-CD1 4.17Å; M54-I244 HydrophobicContact SD-CG2 3.81Å; M54-L279 HydrophobicContact CE-CD2 3.88Å; M54-I281 HydrophobicContact CE-CD1 3.69Å; M54-I281 HydrophobicContact CE-CG1 4.06Å
55Q97.1Very high93.4Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-108.5125.7165.8-178.5179-63.600107.8N17 E20 S21 F22 I28 F52 T68 Y70N17-Q55 PolarHBondContact O-NE2 3.4Å; E20-Q55 PolarHBondContact O-NE2 2.7Å; S21-Q55 CarbonylContact C-O 3.6Å; S21-Q55 VanDerWaalsContact CA-O 3.25Å; S21-Q55 WeakPolarHBondContact CA-O 3.2Å; F22-Q55 HydrophobicContact CD1-CB 4.24Å; F22-Q55 HydrophobicContact CD2-CB 4.39Å; F22-Q55 HydrophobicContact CE1-CB 3.89Å; F22-Q55 HydrophobicContact CE1-CG 4.12Å; F22-Q55 HydrophobicContact CE2-CB 4.02Å; F22-Q55 HydrophobicContact CG-CB 4.49Å; F22-Q55 HydrophobicContact CZ-CB 3.75Å; F22-Q55 HydrophobicContact CZ-CG 4.27Å; F22-Q55 PolarHBondContact N-O 3.41Å; F22-Q55 PolarHBondContact O-N 3.03Å; I28-Q55 PolarHBondContact O-OE1 2.71Å; F52-Q55 HydrophobicContact CE2-CB 4.2Å; F52-Q55 HydrophobicContact CZ-CB 3.77Å; Q55-T68 HydrophobicContact CG-CG2 3.33Å; Q55-Y70 HydrophobicContact CB-CD1 4.35Å; Q55-Y70 HydrophobicContact CB-CE1 4.41Å; Q55-Y70 HydrophobicContact CG-CD1 4.07Å; Q55-Y70 HydrophobicContact CG-CE1 3.73Å; Q55-Y70 VanDerWaalsContact OE1-CE1 3.3Å
56L97.4Very high93.5Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-121.2103.7177.3-171.776.3000109.5C58 T68 L69 W109 I244 Y246 L279L56-C58 HydrophobicContact CG-CB 4.49Å; L56-C58 PolarHBondContact O-N 3.46Å; L56-C58 PolarHBondContact O-SG 2.73Å; L56-T68 CarbonylContact O-C 3.52Å; L56-T68 VanDerWaalsContact O-CA 3.31Å; L56-T68 WeakPolarHBondContact O-CA 3.22Å; L56-T68 WeakPolarHBondContact O-CG2 3.4Å; L56-L69 HydrophobicContact CB-CB 4.43Å; L56-L69 PolarHBondContact N-O 3.05Å; L56-L69 PolarHBondContact O-N 3.23Å; L56-W109 HydrophobicContact CD1-CH2 4.18Å; L56-W109 HydrophobicContact CD1-CZ2 3.98Å; L56-I244 HydrophobicContact CD1-CD1 3.78Å; L56-Y246 HydrophobicContact CD2-CD2 3.95Å; L56-L279 HydrophobicContact CD2-CD1 3.74Å; L56-L279 HydrophobicContact CD2-CD2 3.76Å; L56-L279 HydrophobicContact CD2-CG 4.26Å
57Y96.3Very high93.6Very high4 Ų441.6 Ų41.62%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-73.6118.8170.7178.8-115.5000109.4Y19 S21 P59 H66 R67 T107Y19-Y57 HydrophobicContact CD1-CE2 4.07Å; Y19-Y57 WeakPolarHBondContact O-CD1 3.23Å; S21-Y57 PolarHBondContact OG-N 3.25Å; S21-Y57 PolarHBondContact OG-O 3.44Å; Y57-P59 HydrophobicContact CE1-CG 3.86Å; Y57-P59 HydrophobicContact CE2-CG 4.39Å; Y57-H66 HydrophobicContact CE2-CB 4.04Å; Y57-H66 AromaticContact CE2-ND1 3.75Å; Y57-H66 AromaticContact CZ-ND1 3.66Å; Y57-H66 PolarHBondContact OH-ND1 3.38Å; Y57-R67 WeakPolarHBondContact CD2-O 3.48Å; Y57-T107 HydrophobicContact CD1-CG2 3.76Å; Y57-T107 HydrophobicContact CE1-CG2 3.3Å
58C96.2Very high93.7Very high1 Ų133.5 Ų33.51%0.00719%0.186CC..  trans-148.368.9-169.647.10000110.6L56 R67 Y246L56-C58 HydrophobicContact CG-CB 4.49Å; L56-C58 PolarHBondContact O-N 3.46Å; L56-C58 PolarHBondContact O-SG 2.73Å; C58-R67 CarbonylContact C-O 3.53Å; C58-R67 PolarHBondContact N-O 3.22Å; C58-R67 PolarHBondContact O-NH1 3.39Å; C58-R67 PolarHBondContact SG-NH1 3.37Å; C58-Y246 HydrophobicContact CB-CE2 3.66Å
59P94.9Very high93.9Very high19 Ų1928.8 Ų28.812%0.12317%0.165CC..  trans-61141.3172.728.3-34.5000110.5Y57 T107Y57-P59 HydrophobicContact CE1-CG 3.86Å; Y57-P59 HydrophobicContact CE2-CG 4.39Å; P59-T107 HydrophobicContact CG-CG2 3.86Å
60I91.9Very high94.1Very high31 Ų3125.3 Ų25.316%0.15914%0.143CC..  trans-94.7112.6177.2-64164.2000107.8D62 S63 W248I60-D62 PolarHBondContact O-N 2.94Å; I60-S63 WeakPolarHBondContact O-CA 3.25Å; I60-S63 WeakPolarHBondContact O-CB 3.41Å; I60-S63 PolarHBondContact O-N 3Å; I60-W248 HydrophobicContact CD1-CD2 4.43Å; I60-W248 HydrophobicContact CD1-CE3 4.25Å; I60-W248 HydrophobicContact CD1-CH2 3.48Å; I60-W248 VanDerWaalsContact CD1-CH2 3.48Å; I60-W248 HydrophobicContact CD1-CZ2 3.66Å; I60-W248 HydrophobicContact CD1-CZ3 3.76Å; I60-W248 HydrophobicContact CG1-CD2 4.33Å; I60-W248 HydrophobicContact CG1-CE3 4.35Å; I60-W248 HydrophobicContact CG1-CH2 4.37Å; I60-W248 HydrophobicContact CG1-CZ2 4.32Å; I60-W248 HydrophobicContact CG1-CZ3 4.35Å
61G82.4Confident94.3Very high58 Ų5825 Ų2560%0.59814%0.141SC*.THydrogen-bonded Turntrans15.8-106.8173.800000116S63 K104G61-S63 PolarHBondContact O-N 3.03Å; G61-S63 VanDerWaalsContact O-N 3.16Å; G61-K104 PolarHBondContact O-NZ 2.9Å
62D82.6Confident94.5Very high176 Ų17623.6 Ų23.694%0.94113%0.134SC*.THydrogen-bonded Turntrans-75.53.5-175.1-55.5-31000114.6I60 K64I60-D62 PolarHBondContact O-N 2.94Å; D62-K64 PolarHBondContact O-N 3.17Å
63S89.9Confident94.5Very high28 Ų2823.4 Ų23.420%0.19613%0.133CC..  trans-64.9132174.5-174.40000110.2I60 G61 Y65 K104I60-S63 WeakPolarHBondContact O-CA 3.25Å; I60-S63 WeakPolarHBondContact O-CB 3.41Å; I60-S63 PolarHBondContact O-N 3Å; G61-S63 PolarHBondContact O-N 3.03Å; G61-S63 VanDerWaalsContact O-N 3.16Å; S63-Y65 PolarHBondContact O-N 3.11Å; S63-Y65 PolarHBondContact OG-N 3.15Å; S63-K104 PolarHBondContact O-NZ 3.46Å
64K90.4Very high94.5Very high118 Ų11823.8 Ų23.851%0.51314%0.135SC..SBendtrans-73.85.3170.266.5179.4-172.2174.80113.8D62 L94 I95D62-K64 PolarHBondContact O-N 3.17Å; K64-L94 HydrophobicContact CB-CD1 4.23Å; K64-L94 HydrophobicContact CD-CD1 3.62Å; K64-L94 HydrophobicContact CG-CD1 3.68Å; K64-I95 WeakPolarHBondContact O-CB 3.47Å; K64-I95 WeakPolarHBondContact O-CD1 2.83Å; K64-I95 VanDerWaalsContact O-CG1 3.22Å; K64-I95 WeakPolarHBondContact O-CG1 3.39Å; K64-I95 PolarHBondContact O-N 3.48Å
65Y93.5Very high94.2Very high37 Ų3724 Ų2415%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-110.4137-179.2-63.2-83000110.8S63 Q92 Y93 L94S63-Y65 PolarHBondContact O-N 3.11Å; S63-Y65 PolarHBondContact OG-N 3.15Å; Y65-Q92 HydrophobicContact CD1-CB 4.33Å; Y65-Q92 HydrophobicContact CG-CB 4.39Å; Y65-Y93 CarbonylContact C-O 3.6Å; Y65-Y93 VanDerWaalsContact CA-O 3.3Å; Y65-Y93 WeakPolarHBondContact CA-O 3.49Å; Y65-L94 HydrophobicContact CD1-CB 4.06Å; Y65-L94 HydrophobicContact CD1-CD1 4.14Å; Y65-L94 HydrophobicContact CE1-CB 3.88Å; Y65-L94 HydrophobicContact CE1-CD1 3.77Å; Y65-L94 HydrophobicContact CE1-CG 4.43Å
66H94.7Very high93.8Very high17 Ų1727.2 Ų27.28%0.07915%0.154CC..EExtended strand (participates in β ladder)trans-62.5144.6150.8-65.9-74000108.5Y19 F30 Y57 Q92 Y93Y19-H66 HydrophobicContact CD1-CB 4.42Å; Y19-H66 AromaticContact CD1-CE1 3.88Å; Y19-H66 AromaticContact CD1-CG 3.92Å; Y19-H66 AromaticContact CD1-ND1 3.56Å; Y19-H66 HydrophobicContact CE1-CB 4.19Å; Y19-H66 AromaticContact CE1-CD2 3.72Å; Y19-H66 AromaticContact CE1-CE1 3.72Å; Y19-H66 AromaticContact CE1-CG 3.59Å; Y19-H66 AromaticContact CE1-ND1 3.61Å; Y19-H66 AromaticContact CE1-NE2 3.8Å; F30-H66 HydrophobicContact CD1-CB 4.38Å; F30-H66 HydrophobicContact CE1-CB 3.61Å; F30-H66 HydrophobicContact CE2-CB 4.44Å; F30-H66 HydrophobicContact CZ-CB 3.63Å; Y57-H66 HydrophobicContact CE2-CB 4.04Å; Y57-H66 AromaticContact CE2-ND1 3.75Å; Y57-H66 AromaticContact CZ-ND1 3.66Å; Y57-H66 PolarHBondContact OH-ND1 3.38Å; H66-Q92 CarbonylContact O-C 3.54Å; H66-Q92 WeakPolarHBondContact O-CA 3.33Å; H66-Q92 WeakPolarHBondContact O-CB 3.33Å; H66-Y93 PolarHBondContact N-O 3.34Å; H66-Y93 PolarHBondContact O-N 3.29Å
67R96.7Very high93.3Very high1 Ų128.7 Ų28.70%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-145.4132.5-175.8-177.5178.7175.4-72.62.8109.7Y57 C58 R90 Q92 E278 T317 S321Y57-R67 WeakPolarHBondContact CD2-O 3.48Å; C58-R67 CarbonylContact C-O 3.53Å; C58-R67 PolarHBondContact N-O 3.22Å; C58-R67 PolarHBondContact O-NH1 3.39Å; C58-R67 PolarHBondContact SG-NH1 3.37Å; R67-R90 HydrophobicContact CG-CG 4.19Å; R67-Q92 HydrophobicContact CB-CG 3.85Å; R67-Q92 HydrophobicContact CG-CG 3.74Å; R67-E278 IonicContact CZ-OE1 3.4Å; R67-E278 VanDerWaalsContact CZ-OE1 3.23Å; R67-E278 IonicContact CZ-OE2 3.62Å; R67-E278 IonicContact NH1-OE1 2.79Å; R67-E278 PolarHBondContact NH1-OE1 2.93Å; R67-E278 IonicContact NH1-OE2 3.66Å; R67-E278 VanDerWaalsContact NH2-CD 3.29Å; R67-E278 IonicContact NH2-OE1 2.87Å; R67-E278 PolarHBondContact NH2-OE1 2.94Å; R67-E278 VanDerWaalsContact NH2-OE1 3.1Å; R67-E278 IonicContact NH2-OE2 3.6Å; R67-E278 PolarHBondContact NH2-OE2 2.8Å; R67-T317 PolarHBondContact NH2-OG1 2.95Å; R67-S321 PolarHBondContact NE-OG 3.18Å
68T97.7Very high92.9Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-137.2136.7-179.4-610000109.6F30 Q55 L56 Y70 R90 S91F30-T68 WeakPolarHBondContact CZ-OG1 3.21Å; Q55-T68 HydrophobicContact CG-CG2 3.33Å; L56-T68 CarbonylContact O-C 3.52Å; L56-T68 VanDerWaalsContact O-CA 3.31Å; L56-T68 WeakPolarHBondContact O-CA 3.22Å; L56-T68 WeakPolarHBondContact O-CG2 3.4Å; T68-Y70 HydrophobicContact CG2-CD1 4.34Å; T68-Y70 HydrophobicContact CG2-CD2 3.85Å; T68-Y70 HydrophobicContact CG2-CE1 3.91Å; T68-Y70 HydrophobicContact CG2-CE2 3.38Å; T68-Y70 HydrophobicContact CG2-CG 4.35Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.43Å; T68-R90 WeakPolarHBondContact O-CA 3.34Å; T68-S91 PolarHBondContact N-O 3.23Å; T68-S91 VanDerWaalsContact N-O 3.08Å; T68-S91 PolarHBondContact O-N 3.05Å
69L98.5Very high92.8Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-96.2134.8166.3-63.1179.4000109.1L56 I71 V88 R90 E278 T317 E333L56-L69 HydrophobicContact CB-CB 4.43Å; L56-L69 PolarHBondContact N-O 3.05Å; L56-L69 PolarHBondContact O-N 3.23Å; L69-I71 HydrophobicContact CB-CD1 4.25Å; L69-V88 HydrophobicContact CB-CG1 4.4Å; L69-V88 HydrophobicContact CD2-CG1 4.23Å; L69-R90 HydrophobicContact CD2-CB 3.75Å; L69-R90 HydrophobicContact CD2-CG 4.13Å; L69-E278 HydrophobicContact CD1-CG 4.37Å; L69-T317 HydrophobicContact CD2-CG2 4.38Å; L69-E333 HydrophobicContact CD2-CG 4.42Å
70Y98.4Very high92.7Very high0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-119.4121.5178-61.9-95.2000108.3L27 I28 F52 Q55 T68 V88 L89 W330L27-Y70 HydrophobicContact CD1-CD1 3.32Å; L27-Y70 HydrophobicContact CD1-CE1 3.87Å; L27-Y70 HydrophobicContact CD1-CG 3.97Å; L27-Y70 HydrophobicContact CD2-CD1 4.43Å; L27-Y70 HydrophobicContact CD2-CE1 4.16Å; L27-Y70 HydrophobicContact CG-CD1 3.51Å; L27-Y70 HydrophobicContact CG-CE1 3.58Å; I28-Y70 WeakPolarHBondContact O-CE1 3.5Å; I28-Y70 PolarHBondContact O-OH 3.18Å; F52-Y70 HydrophobicContact CE2-CD1 4.12Å; Q55-Y70 HydrophobicContact CB-CD1 4.35Å; Q55-Y70 HydrophobicContact CB-CE1 4.41Å; Q55-Y70 HydrophobicContact CG-CD1 4.07Å; Q55-Y70 HydrophobicContact CG-CE1 3.73Å; Q55-Y70 VanDerWaalsContact OE1-CE1 3.3Å; T68-Y70 HydrophobicContact CG2-CD1 4.34Å; T68-Y70 HydrophobicContact CG2-CD2 3.85Å; T68-Y70 HydrophobicContact CG2-CE1 3.91Å; T68-Y70 HydrophobicContact CG2-CE2 3.38Å; T68-Y70 HydrophobicContact CG2-CG 4.35Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.43Å; Y70-V88 WeakPolarHBondContact O-CA 3.34Å; Y70-L89 PolarHBondContact N-O 2.88Å; Y70-L89 PolarHBondContact O-N 3.11Å; Y70-W330 HydrophobicContact CD2-CE3 4.42Å; Y70-W330 HydrophobicContact CD2-CH2 4.09Å; Y70-W330 AromaticContact CD2-CZ3 3.42Å; Y70-W330 HydrophobicContact CD2-CZ3 3.42Å; Y70-W330 VanDerWaalsContact CD2-CZ3 3.42Å; Y70-W330 HydrophobicContact CE1-CH2 4.5Å; Y70-W330 AromaticContact CE2-CH2 3.93Å; Y70-W330 HydrophobicContact CE2-CH2 3.93Å; Y70-W330 AromaticContact CE2-CZ3 3.62Å; Y70-W330 HydrophobicContact CE2-CZ3 3.62Å; Y70-W330 HydrophobicContact CG-CH2 4.39Å; Y70-W330 AromaticContact CG-CZ3 3.87Å; Y70-W330 HydrophobicContact CG-CZ3 3.87Å
71I98.5Very high92.6Very high0 Ų033.9 Ų33.90%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3133.5-171.9-56.480000108.4I53 M54 L69 W86 V88 I281I53-I71 HydrophobicContact CG2-CB 3.8Å; I53-I71 HydrophobicContact CG2-CG2 3.55Å; I53-I71 WeakPolarHBondContact CG2-O 3.27Å; I53-I71 PolarHBondContact N-O 2.83Å; M54-I71 HydrophobicContact CB-CB 4.32Å; M54-I71 HydrophobicContact CB-CD1 4.07Å; M54-I71 HydrophobicContact CE-CD1 3.55Å; M54-I71 HydrophobicContact CE-CG1 3.92Å; M54-I71 HydrophobicContact CG-CD1 4.18Å; M54-I71 WeakPolarHBondContact O-CD1 3.4Å; M54-I71 PolarHBondContact O-N 3.18Å; L69-I71 HydrophobicContact CB-CD1 4.25Å; I71-W86 HydrophobicContact CG2-CE3 3.88Å; I71-W86 HydrophobicContact CG2-CZ3 3.75Å; I71-V88 HydrophobicContact CG1-CG2 4.14Å; I71-V88 HydrophobicContact CG2-CG2 4.28Å; I71-I281 HydrophobicContact CG1-CD1 4.44Å; I71-I281 HydrophobicContact CG2-CD1 4.14Å
72F98Very high93Very high1 Ų132.9 Ų32.90%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-129.7146180-58.5-95.9000110.7L27 P36 I41 M50 D51 F52 W86 K87 L89 L147L27-F72 HydrophobicContact CD1-CE1 4.17Å; L27-F72 HydrophobicContact CD1-CE2 4.43Å; L27-F72 HydrophobicContact CD1-CZ 3.51Å; P36-F72 HydrophobicContact CG-CZ 3.89Å; I41-F72 HydrophobicContact CB-CD1 4.34Å; I41-F72 HydrophobicContact CD1-CE1 4.46Å; I41-F72 HydrophobicContact CG2-CD1 3.96Å; I41-F72 HydrophobicContact CG2-CD2 4.11Å; I41-F72 HydrophobicContact CG2-CE1 3.84Å; I41-F72 HydrophobicContact CG2-CE2 3.99Å; I41-F72 HydrophobicContact CG2-CG 4.09Å; I41-F72 HydrophobicContact CG2-CZ 3.85Å; M50-F72 HydrophobicContact CB-CB 3.87Å; M50-F72 HydrophobicContact SD-CB 4.19Å; D51-F72 CarbonylContact O-C 3.5Å; D51-F72 VanDerWaalsContact O-CA 3.23Å; D51-F72 WeakPolarHBondContact O-CA 3.12Å; F52-F72 HydrophobicContact CB-CD1 3.98Å; F52-F72 HydrophobicContact CB-CE1 3.84Å; F52-F72 HydrophobicContact CD2-CE1 4.11Å; F52-F72 HydrophobicContact CD2-CZ 4.26Å; F52-F72 HydrophobicContact CG-CE1 4.46Å; F72-W86 WeakPolarHBondContact O-CA 3.45Å; F72-K87 PolarHBondContact N-O 2.67Å; F72-K87 PolarHBondContact O-N 2.81Å; F72-L89 HydrophobicContact CE2-CB 4.47Å; F72-L89 HydrophobicContact CE2-CD1 4Å; F72-L89 HydrophobicContact CE2-CG 4.21Å; F72-L147 HydrophobicContact CE1-CD2 4.49Å
73V96.8Very high93.4Very high0 Ų024.5 Ų24.50%015%0.145CC..EExtended strand (participates in β ladder)trans-146140.217964.10000111.9D51 I53 I75 N85 W86 L308D51-V73 WeakPolarHBondContact CB-O 3.46Å; D51-V73 PolarHBondContact N-O 3.18Å; D51-V73 PolarHBondContact O-N 3.39Å; I53-V73 HydrophobicContact CB-CG1 4.24Å; I53-V73 HydrophobicContact CD1-CG1 4.06Å; I53-V73 HydrophobicContact CG2-CG1 4.4Å; V73-I75 HydrophobicContact CG1-CG2 4.23Å; V73-N85 CarbonylContact C-O 3.52Å; V73-N85 VanDerWaalsContact CA-O 3.29Å; V73-N85 WeakPolarHBondContact CA-O 3.38Å; V73-N85 WeakPolarHBondContact CG2-ND2 3.38Å; V73-W86 HydrophobicContact CB-CD2 3.93Å; V73-W86 HydrophobicContact CB-CE3 3.92Å; V73-W86 HydrophobicContact CB-CH2 4.29Å; V73-W86 HydrophobicContact CB-CZ2 4.28Å; V73-W86 HydrophobicContact CB-CZ3 4.11Å; V73-W86 HydrophobicContact CG2-CD2 3.68Å; V73-W86 VanDerWaalsContact CG2-CE2 3.44Å; V73-W86 HydrophobicContact CG2-CE3 4.18Å; V73-W86 HydrophobicContact CG2-CG 4.11Å; V73-W86 HydrophobicContact CG2-CH2 4.26Å; V73-W86 HydrophobicContact CG2-CZ2 3.76Å; V73-W86 HydrophobicContact CG2-CZ3 4.44Å; V73-L308 HydrophobicContact CG1-CD2 4Å; V73-L308 HydrophobicContact CG2-CD2 3.78Å
74C94.8Very high93.6Very high8 Ų824.8 Ų24.85%0.05414%0.144CC..  trans-89116.5166.2-174.30000109.4C43 C46 M50 N76 C79 N85C43-C74 HydrophobicContact CB-CB 3.83Å; C46-C74 VanDerWaalsContact SG-SG 3.68Å; M50-C74 HydrophobicContact CG-CB 4.13Å; C74-N76 VanDerWaalsContact C-N 3.28Å; C74-N76 PolarHBondContact O-N 3.27Å; C74-C79 HydrophobicContact CB-CB 4.42Å; C74-N85 HydrophobicContact CB-CB 4.08Å; C74-N85 PolarHBondContact N-O 2.86Å; C74-N85 PolarHBondContact O-ND2 2.77Å
75I91.5Very high93.8Very high4 Ų419.3 Ų19.32%0.02112%0.12CC..  trans-83.4-0.1-179.666.7-180000113.7D51 V73 G77 Q80 F151 L302 L308D51-I75 WeakPolarHBondContact OD2-CG1 3.21Å; V73-I75 HydrophobicContact CG1-CG2 4.23Å; I75-G77 PolarHBondContact O-N 2.8Å; I75-Q80 PolarHBondContact O-NE2 3.16Å; I75-F151 HydrophobicContact CD1-CZ 4.35Å; I75-F151 HydrophobicContact CG2-CZ 3.97Å; I75-L302 HydrophobicContact CD1-CD1 3.64Å; I75-L302 HydrophobicContact CG1-CD1 4.07Å; I75-L302 HydrophobicContact CG1-CD2 4.22Å; I75-L302 VanDerWaalsContact O-CD2 3.25Å; I75-L302 WeakPolarHBondContact O-CD2 3.19Å; I75-L308 HydrophobicContact CG2-CD2 4.09Å
76N88.8Confident94Very high69 Ų6917.6 Ų17.637%0.36911%0.114SC..  trans-65.4120.1177.8-175.126.2000110.5C74 P78 C79 Q80C74-N76 VanDerWaalsContact C-N 3.28Å; C74-N76 PolarHBondContact O-N 3.27Å; N76-P78 WeakPolarHBondContact OD1-CD 2.93Å; N76-C79 HydrophobicContact CB-CB 4.49Å; N76-C79 WeakPolarHBondContact O-CA 3.29Å; N76-C79 VanDerWaalsContact O-CB 3.3Å; N76-C79 WeakPolarHBondContact O-CB 3.31Å; N76-C79 PolarHBondContact O-N 3.22Å; N76-Q80 WeakPolarHBondContact O-CG 3.17Å; N76-Q80 PolarHBondContact O-N 2.87Å
77G87Confident94.2Very high31 Ų3117.5 Ų17.532%0.3211%0.113SC..Hα-helixtrans-46.6-50-171.400000115.4I75 C79 Q80 S81I75-G77 PolarHBondContact O-N 2.8Å; G77-C79 PolarHBondContact O-N 2.81Å; G77-Q80 PolarHBondContact O-N 2.81Å; G77-Q80 VanDerWaalsContact O-N 3.16Å; G77-S81 PolarHBondContact O-N 3.29Å; G77-S81 PolarHBondContact O-OG 2.95Å
78P88Confident94.2Very high93 Ų9317.4 Ų17.460%0.60411%0.113SC*.Hα-helixtrans-59.6-28.8177-26.936000114.7N76N76-P78 WeakPolarHBondContact OD1-CD 2.93Å
79C92.9Very high94.3Very high1 Ų117.4 Ų17.41%0.00711%0.113CC..Hα-helixtrans-73.2-36.2179-56.90000111.2V45 C74 N76 G77 S81 S82 N85V45-C79 HydrophobicContact CB-CB 4.12Å; V45-C79 HydrophobicContact CG1-CB 4.43Å; V45-C79 HydrophobicContact CG2-CB 4.41Å; C74-C79 HydrophobicContact CB-CB 4.42Å; N76-C79 HydrophobicContact CB-CB 4.49Å; N76-C79 WeakPolarHBondContact O-CA 3.29Å; N76-C79 VanDerWaalsContact O-CB 3.3Å; N76-C79 WeakPolarHBondContact O-CB 3.31Å; N76-C79 PolarHBondContact O-N 3.22Å; G77-C79 PolarHBondContact O-N 2.81Å; C79-S81 VanDerWaalsContact C-N 3.34Å; C79-S81 PolarHBondContact O-N 3.31Å; C79-S82 PolarHBondContact O-OG 3.34Å; C79-S82 VanDerWaalsContact O-OG 3.05Å; C79-N85 HydrophobicContact CB-CB 3.92Å
80Q93.2Very high94.2Very high8 Ų817.4 Ų17.44%0.03711%0.113CC..Hα-helixtrans-68.1-32.6-176.8-45.9-162.238.600113.1I75 N76 G77 S82 G83 L307 L308 N309I75-Q80 PolarHBondContact O-NE2 3.16Å; N76-Q80 WeakPolarHBondContact O-CG 3.17Å; N76-Q80 PolarHBondContact O-N 2.87Å; G77-Q80 PolarHBondContact O-N 2.81Å; G77-Q80 VanDerWaalsContact O-N 3.16Å; Q80-S82 PolarHBondContact O-N 2.93Å; Q80-G83 PolarHBondContact O-N 2.84Å; Q80-L307 PolarHBondContact NE2-O 3.32Å; Q80-L307 PolarHBondContact OE1-O 3.21Å; Q80-L308 VanDerWaalsContact OE1-CA 3.32Å; Q80-N309 HydrophobicContact CB-CB 4.33Å
81S90.3Very high94.2Very high62 Ų6217.4 Ų17.443%0.43411%0.113SC..THydrogen-bonded Turntrans-60.6-20.2-176.7-59.80000113.7G77 C79G77-S81 PolarHBondContact O-N 3.29Å; G77-S81 PolarHBondContact O-OG 2.95Å; C79-S81 VanDerWaalsContact C-N 3.34Å; C79-S81 PolarHBondContact O-N 3.31Å
82S90.5Very high94.1Very high36 Ų3617.7 Ų17.725%0.25211%0.114SC..THydrogen-bonded Turntrans-99.2-7.317970.30000114.1C79 Q80 N84 K345C79-S82 PolarHBondContact O-OG 3.34Å; C79-S82 VanDerWaalsContact O-OG 3.05Å; Q80-S82 PolarHBondContact O-N 2.93Å; S82-N84 PolarHBondContact O-N 3.26Å; S82-N84 WeakPolarHBondContact OG-CB 3.31Å; S82-N84 PolarHBondContact OG-N 2.93Å; S82-K345 WeakPolarHBondContact O-CB 3.38Å; S82-K345 WeakPolarHBondContact O-CG 3.33Å
83G91.3Very high93.8Very high0 Ų019.5 Ų19.50%012%0.121CC..SBendtrans69-13.6-167.900000115.3Q80 N85 I347Q80-G83 PolarHBondContact O-N 2.84Å; G83-N85 PolarHBondContact O-N 2.93Å; G83-N85 PolarHBondContact O-OD1 3.15Å; G83-I347 WeakPolarHBondContact O-CD1 3.4Å
84N93.3Very high93.5Very high35 Ų3522.9 Ų22.919%0.18714%0.139CC..THydrogen-bonded Turntrans-75.529.9-177.6-76.2-50.5000114.8M44 V45 S82 K345M44-N84 HydrophobicContact CE-CB 3.84Å; M44-N84 WeakPolarHBondContact CE-OD1 3.41Å; V45-N84 HydrophobicContact CG2-CB 4.04Å; S82-N84 PolarHBondContact O-N 3.26Å; S82-N84 WeakPolarHBondContact OG-CB 3.31Å; S82-N84 PolarHBondContact OG-N 2.93Å; N84-K345 WeakPolarHBondContact ND2-CE 3.43Å; N84-K345 WeakPolarHBondContact OD1-CE 3.09Å; N84-K345 VanDerWaalsContact OD1-CG 3.24Å; N84-K345 WeakPolarHBondContact OD1-CG 2.97Å
85N95.6Very high92.9Very high2 Ų224.2 Ų24.21%0.01115%0.145CC..THydrogen-bonded Turntrans-112.47.4-173.766.8-56.5000113.4M50 V73 C74 C79 G83M50-N85 WeakPolarHBondContact CE-O 3.48Å; V73-N85 CarbonylContact C-O 3.52Å; V73-N85 VanDerWaalsContact CA-O 3.29Å; V73-N85 WeakPolarHBondContact CA-O 3.38Å; V73-N85 WeakPolarHBondContact CG2-ND2 3.38Å; C74-N85 HydrophobicContact CB-CB 4.08Å; C74-N85 PolarHBondContact N-O 2.86Å; C74-N85 PolarHBondContact O-ND2 2.77Å; C79-N85 HydrophobicContact CB-CB 3.92Å; G83-N85 PolarHBondContact O-N 2.93Å; G83-N85 PolarHBondContact O-OD1 3.15Å
86W97.8Very high92.1Very high1 Ų130.2 Ų30.20%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-112153-179.2-7080.7000112.2I53 I71 F72 V73 I281 L308 I310 V313 I335 V337 I347I53-W86 HydrophobicContact CG2-CZ3 4.38Å; I71-W86 HydrophobicContact CG2-CE3 3.88Å; I71-W86 HydrophobicContact CG2-CZ3 3.75Å; F72-W86 WeakPolarHBondContact O-CA 3.45Å; V73-W86 HydrophobicContact CB-CD2 3.93Å; V73-W86 HydrophobicContact CB-CE3 3.92Å; V73-W86 HydrophobicContact CB-CH2 4.29Å; V73-W86 HydrophobicContact CB-CZ2 4.28Å; V73-W86 HydrophobicContact CB-CZ3 4.11Å; V73-W86 HydrophobicContact CG2-CD2 3.68Å; V73-W86 VanDerWaalsContact CG2-CE2 3.44Å; V73-W86 HydrophobicContact CG2-CE3 4.18Å; V73-W86 HydrophobicContact CG2-CG 4.11Å; V73-W86 HydrophobicContact CG2-CH2 4.26Å; V73-W86 HydrophobicContact CG2-CZ2 3.76Å; V73-W86 HydrophobicContact CG2-CZ3 4.44Å; W86-I281 HydrophobicContact CZ3-CD1 4.31Å; W86-L308 HydrophobicContact CH2-CD1 3.6Å; W86-L308 HydrophobicContact CZ2-CD1 3.68Å; W86-L308 HydrophobicContact CZ2-CD2 4.18Å; W86-L308 HydrophobicContact CZ2-CG 4.38Å; W86-I310 HydrophobicContact CH2-CD1 4.15Å; W86-I310 HydrophobicContact CZ2-CD1 3.88Å; W86-I310 HydrophobicContact CZ2-CG2 3.87Å; W86-V313 HydrophobicContact CD2-CG1 4.5Å; W86-V313 HydrophobicContact CD2-CG2 4.07Å; W86-V313 HydrophobicContact CE3-CG1 4.4Å; W86-V313 HydrophobicContact CE3-CG2 4.34Å; W86-V313 HydrophobicContact CH2-CG2 4.12Å; W86-V313 HydrophobicContact CZ2-CG2 3.84Å; W86-V313 HydrophobicContact CZ3-CG2 4.36Å; W86-I335 HydrophobicContact CB-CD1 4.35Å; W86-V337 HydrophobicContact CB-CG2 4.01Å; W86-V337 HydrophobicContact CG-CG2 3.86Å; W86-I347 HydrophobicContact CB-CD1 4.21Å
87K97.7Very high90.6Very high15 Ų1536.2 Ų36.27%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-150.2146.2169-168171.3-81.71780111K40 M50 F72 L89 E332K40-K87 WeakPolarHBondContact O-CD 3.46Å; K40-K87 WeakPolarHBondContact O-CE 3.3Å; K40-K87 PolarHBondContact O-NZ 3.07Å; M50-K87 HydrophobicContact CE-CB 4.18Å; M50-K87 HydrophobicContact SD-CB 3.75Å; F72-K87 PolarHBondContact N-O 2.67Å; F72-K87 PolarHBondContact O-N 2.81Å; K87-L89 HydrophobicContact CD-CD2 4.25Å; K87-L89 HydrophobicContact CG-CD2 4.33Å; K87-E332 HydrophobicContact CD-CG 4.44Å; K87-E332 VanDerWaalsContact CE-OE1 3.28Å; K87-E332 WeakPolarHBondContact CE-OE1 3.18Å; K87-E332 HydrophobicContact CG-CG 4.17Å; K87-E332 IonicContact NZ-OE2 3.5Å
88V98.4Very high88.6Confident0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-129.6124.51781770000107.5L69 Y70 I71 I315 E332 E333 I335L69-V88 HydrophobicContact CB-CG1 4.4Å; L69-V88 HydrophobicContact CD2-CG1 4.23Å; Y70-V88 WeakPolarHBondContact O-CA 3.34Å; I71-V88 HydrophobicContact CG1-CG2 4.14Å; I71-V88 HydrophobicContact CG2-CG2 4.28Å; V88-I315 HydrophobicContact CG1-CG2 4.12Å; V88-I315 HydrophobicContact CG2-CG1 3.88Å; V88-E332 WeakPolarHBondContact O-CA 3.37Å; V88-E333 HydrophobicContact CB-CB 4.44Å; V88-E333 HydrophobicContact CG1-CB 4.23Å; V88-E333 PolarHBondContact O-N 3.49Å; V88-I335 HydrophobicContact CB-CD1 3.97Å; V88-I335 HydrophobicContact CB-CG1 4.17Å; V88-I335 HydrophobicContact CG2-CD1 3.61Å; V88-I335 HydrophobicContact CG2-CG1 3.86Å
89L98.3Very high86.4Confident0 Ų046.1 Ų46.10%023%0.228CC..EExtended strand (participates in β ladder)trans-112.5133.7174.5-57.8179.8000109P36 K40 I41 Y70 F72 K87 W330 I331 E332P36-L89 HydrophobicContact CB-CD1 3.64Å; P36-L89 HydrophobicContact CG-CD1 4.19Å; K40-L89 HydrophobicContact CB-CD1 4.39Å; I41-L89 HydrophobicContact CG2-CD1 3.88Å; Y70-L89 PolarHBondContact N-O 2.88Å; Y70-L89 PolarHBondContact O-N 3.11Å; F72-L89 HydrophobicContact CE2-CB 4.47Å; F72-L89 HydrophobicContact CE2-CD1 4Å; F72-L89 HydrophobicContact CE2-CG 4.21Å; K87-L89 HydrophobicContact CD-CD2 4.25Å; K87-L89 HydrophobicContact CG-CD2 4.33Å; L89-W330 HydrophobicContact CB-CE3 3.8Å; L89-W330 HydrophobicContact CB-CZ3 4.39Å; L89-W330 HydrophobicContact CD1-CB 4.48Å; L89-W330 HydrophobicContact CD1-CD2 4.42Å; L89-W330 HydrophobicContact CD1-CE3 4.08Å; L89-I331 CarbonylContact C-O 3.53Å; L89-I331 WeakPolarHBondContact CA-O 3.45Å; L89-E332 HydrophobicContact CD2-CB 4Å; L89-E332 HydrophobicContact CD2-CG 4.31Å
90R98Very high83.8Confident0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-97.2136.2167.3177.9172.552.3100.25.2109.5R67 T68 L69 Q92 S321 C322 I331 E333R67-R90 HydrophobicContact CG-CG 4.19Å; T68-R90 WeakPolarHBondContact O-CA 3.34Å; L69-R90 HydrophobicContact CD2-CB 3.75Å; L69-R90 HydrophobicContact CD2-CG 4.13Å; R90-Q92 HydrophobicContact CG-CG 4.45Å; R90-S321 PolarHBondContact NH1-O 3.24Å; R90-S321 VanDerWaalsContact NH1-O 3.11Å; R90-S321 PolarHBondContact NH1-OG 3.27Å; R90-C322 PolarHBondContact NH1-O 2.88Å; R90-C322 PolarHBondContact NH2-O 2.75Å; R90-I331 PolarHBondContact N-O 2.75Å; R90-I331 VanDerWaalsContact NH2-CD1 3.34Å; R90-I331 PolarHBondContact O-N 3.26Å; R90-E333 HydrophobicContact CB-CG 4.02Å; R90-E333 IonicContact CZ-OE1 3.73Å; R90-E333 IonicContact NE-OE1 2.92Å; R90-E333 PolarHBondContact NE-OE1 3.13Å; R90-E333 IonicContact NH2-OE1 3.85Å; R90-E333 PolarHBondContact NH2-OE1 3.48Å; R90-E333 VanDerWaalsContact NH2-OE1 3.15Å
91S97.4Very high81.2Confident0 Ų058.4 Ų58.40%030%0.304CS..EExtended strand (participates in β ladder)trans-122.7152.9163.4-164.70000110.7T68 D329T68-S91 PolarHBondContact N-O 3.23Å; T68-S91 VanDerWaalsContact N-O 3.08Å; T68-S91 PolarHBondContact O-N 3.05Å; S91-D329 WeakPolarHBondContact CB-O 3.31Å; S91-D329 PolarHBondContact OG-O 3.12Å
92Q95.9Very high78.9Confident5 Ų564.3 Ų64.32%0.02332%0.324CS..EExtended strand (participates in β ladder)trans-138.3144.9175.6-72.2-174.2111.300111.7Y65 H66 R67 R90 S321 W323Y65-Q92 HydrophobicContact CD1-CB 4.33Å; Y65-Q92 HydrophobicContact CG-CB 4.39Å; H66-Q92 CarbonylContact O-C 3.54Å; H66-Q92 WeakPolarHBondContact O-CA 3.33Å; H66-Q92 WeakPolarHBondContact O-CB 3.33Å; R67-Q92 HydrophobicContact CB-CG 3.85Å; R67-Q92 HydrophobicContact CG-CG 3.74Å; R90-Q92 HydrophobicContact CG-CG 4.45Å; Q92-S321 PolarHBondContact NE2-O 3.09Å; Q92-S321 VanDerWaalsContact NE2-O 3.17Å; Q92-S321 PolarHBondContact NE2-OG 3.13Å; Q92-S321 PolarHBondContact OE1-OG 2.85Å; Q92-S321 VanDerWaalsContact OE1-OG 3.07Å; Q92-W323 HydrophobicContact CB-CD2 3.68Å; Q92-W323 HydrophobicContact CB-CE3 4.03Å; Q92-W323 HydrophobicContact CB-CG 4.03Å; Q92-W323 HydrophobicContact CB-CH2 4.45Å; Q92-W323 HydrophobicContact CB-CZ2 4.08Å; Q92-W323 HydrophobicContact CB-CZ3 4.41Å; Q92-W323 HydrophobicContact CG-CD2 4.27Å; Q92-W323 HydrophobicContact CG-CE3 4.22Å; Q92-W323 VanDerWaalsContact N-CH2 3.29Å; Q92-W323 VanDerWaalsContact N-CZ2 3.35Å; Q92-W323 VanDerWaalsContact O-CZ2 3.26Å; Q92-W323 WeakPolarHBondContact O-CZ2 3.39Å; Q92-W323 PolarHBondContact O-NE1 2.87Å
93Y91.9Very high76.9Confident39 Ų3967.3 Ų67.315%0.15335%0.345CS..EExtended strand (participates in β ladder)trans-132.4131.4179.3179.2-100.7000110.2F30 P31 Y65 H66 I95 K96F30-Y93 HydrophobicContact CB-CD2 4.22Å; F30-Y93 HydrophobicContact CB-CG 3.98Å; F30-Y93 VanDerWaalsContact CG-CB 3.46Å; F30-Y93 HydrophobicContact CG-CG 4.26Å; P31-Y93 HydrophobicContact CB-CE2 4.13Å; P31-Y93 HydrophobicContact CG-CE1 4.4Å; P31-Y93 WeakPolarHBondContact O-CE2 2.97Å; Y65-Y93 CarbonylContact C-O 3.6Å; Y65-Y93 VanDerWaalsContact CA-O 3.3Å; Y65-Y93 WeakPolarHBondContact CA-O 3.49Å; H66-Y93 PolarHBondContact N-O 3.34Å; H66-Y93 PolarHBondContact O-N 3.29Å; Y93-I95 PolarHBondContact O-N 3.1Å; Y93-K96 VanDerWaalsContact OH-CE 3.24Å; Y93-K96 WeakPolarHBondContact OH-CE 3.39Å; Y93-K96 PolarHBondContact OH-NZ 3.2Å
94L90.5Very high74.6Confident72 Ų7270.5 Ų70.538%0.37736%0.36SS..EExtended strand (participates in β ladder)trans-67.6128.3-177.5-177.268.6000109.4K64 Y65 K96K64-L94 HydrophobicContact CB-CD1 4.23Å; K64-L94 HydrophobicContact CD-CD1 3.62Å; K64-L94 HydrophobicContact CG-CD1 3.68Å; Y65-L94 HydrophobicContact CD1-CB 4.06Å; Y65-L94 HydrophobicContact CD1-CD1 4.14Å; Y65-L94 HydrophobicContact CE1-CB 3.88Å; Y65-L94 HydrophobicContact CE1-CD1 3.77Å; Y65-L94 HydrophobicContact CE1-CG 4.43Å; L94-K96 PolarHBondContact O-N 3.42Å; L94-K96 VanDerWaalsContact O-N 3.1Å
95I82.5Confident72.3Confident35 Ų3572.2 Ų72.218%0.17937%0.373CS..  trans-64.1114.8172.9-58.4165.3000107.3K64 Y93 F97 K104K64-I95 WeakPolarHBondContact O-CB 3.47Å; K64-I95 WeakPolarHBondContact O-CD1 2.83Å; K64-I95 VanDerWaalsContact O-CG1 3.22Å; K64-I95 WeakPolarHBondContact O-CG1 3.39Å; K64-I95 PolarHBondContact O-N 3.48Å; Y93-I95 PolarHBondContact O-N 3.1Å; I95-F97 PolarHBondContact O-N 3.49Å; I95-K104 HydrophobicContact CD1-CD 4.35Å; I95-K104 HydrophobicContact CD1-CG 4.14Å
96K75.3Confident69.7Low131 Ų13176.9 Ų76.957%0.5740%0.404SS*.  trans-79.2117167.3-68.2177.8-179167.40106.3Y93 L94 D98Y93-K96 VanDerWaalsContact OH-CE 3.24Å; Y93-K96 WeakPolarHBondContact OH-CE 3.39Å; Y93-K96 PolarHBondContact OH-NZ 3.2Å; L94-K96 PolarHBondContact O-N 3.42Å; L94-K96 VanDerWaalsContact O-N 3.1Å; K96-D98 PolarHBondContact O-N 3.48Å
97F56.6Low67.1Low194 Ų19478.4 Ų78.485%0.85141%0.413SS*.  trans-68.983.4163.3-65.9-83.2000106.9I95I95-F97 PolarHBondContact O-N 3.49Å
98D45.3Very low64.8Low131 Ų13184.2 Ų84.270%0.70145%0.445SS*.  trans-69.3142.4161.9-90.6-31.7000107.9K96 D100K96-D98 PolarHBondContact O-N 3.48Å; D98-D100 PolarHBondContact O-N 2.8Å
99Q40.9Very low62.3Low201 Ų20185.9 Ų85.994%0.93945%0.452SS*.SBendtrans-64.713.1-176.7-77.9-177.8-10.800114.6
100D38Very low59.1Low142 Ų14288.2 Ų88.276%0.75948%0.475SS*.SBendtrans-116.8119.3174.3-79-40000109.9D98 Q102D98-D100 PolarHBondContact O-N 2.8Å; D100-Q102 VanDerWaalsContact C-N 3.32Å; D100-Q102 PolarHBondContact O-N 3.24Å
101S39.6Very low55.9Low125 Ų12591.3 Ų91.387%0.87450%0.501SS*.  trans-5775.4-175.543.80000114.8
102Q42.5Very low52.8Low186 Ų186100.2 Ų100.287%0.86954%0.543SS*.  trans-115.297152.8-65.7-170.96.500107D100D100-Q102 VanDerWaalsContact C-N 3.32Å; D100-Q102 PolarHBondContact O-N 3.24Å
103S47.4Very low49.7Very low99 Ų99108 Ų10869%0.69259%0.585SS**  trans-44.2159.2162.940.50000110.2
104K43.9Very low46.9Very low68 Ų68115 Ų11530%0.29662%0.619SS.*SBendtrans-36.6126.2161.5-84.7179.5178.7173.40106.2G61 S63 I95 C106G61-K104 PolarHBondContact O-NZ 2.9Å; S63-K104 PolarHBondContact O-NZ 3.46Å; I95-K104 HydrophobicContact CD1-CD 4.35Å; I95-K104 HydrophobicContact CD1-CG 4.14Å; K104-C106 PolarHBondContact O-N 2.76Å
105P44.7Very low44.1Very low71 Ų71119.5 Ų119.546%0.46164%0.643SS.*  trans-46.1122.4168.8-20.328.1000104.5T107P105-T107 PolarHBondContact O-N 2.8Å
106C41.2Very low41.8Very low100 Ų100125.4 Ų125.468%0.67668%0.675SS**  trans-53.7101.3172.9-80.40000103.6K104 N108K104-C106 PolarHBondContact O-N 2.76Å; C106-N108 PolarHBondContact O-N 3.39Å
107T43.6Very low39.7Very low32 Ų32124.4 Ų124.420%0.19668%0.684CS.*  trans-58.2129.4172.434.50000102.9Y57 P59 P105 W109Y57-T107 HydrophobicContact CD1-CG2 3.76Å; Y57-T107 HydrophobicContact CE1-CG2 3.3Å; P59-T107 HydrophobicContact CG-CG2 3.86Å; P105-T107 PolarHBondContact O-N 2.8Å; T107-W109 HydrophobicContact CG2-CG 4.4Å; T107-W109 CarbonylContact O-C 3.57Å; T107-W109 WeakPolarHBondContact O-CA 3.16Å; T107-W109 PolarHBondContact O-N 3.01Å; T107-W109 PolarHBondContact OG1-O 3.47Å
108N48.4Very low38.6Very low138 Ų138120 Ų12074%0.73868%0.678SS**SBendtrans-51.8-10.2168.7-82.614.5000112.1C106 G110C106-N108 PolarHBondContact O-N 3.39Å; N108-G110 PolarHBondContact O-N 2.94Å
109W46Very low38Very low35 Ų35120.9 Ų120.913%0.13368%0.683CS.*SBendtrans-60.773.4155.3-41.671000112.4L3 L56 T107 I158 Y246L3-W109 HydrophobicContact CB-CZ3 3.92Å; L3-W109 HydrophobicContact CD1-CB 4.26Å; L3-W109 HydrophobicContact CD1-CD2 3.87Å; L3-W109 HydrophobicContact CD1-CE3 2.99Å; L3-W109 HydrophobicContact CD1-CG 4.44Å; L3-W109 HydrophobicContact CD1-CH2 4.4Å; L3-W109 HydrophobicContact CD1-CZ3 3.25Å; L3-W109 HydrophobicContact CG-CE3 4.3Å; L3-W109 HydrophobicContact CG-CZ3 4.19Å; L56-W109 HydrophobicContact CD1-CH2 4.18Å; L56-W109 HydrophobicContact CD1-CZ2 3.98Å; T107-W109 HydrophobicContact CG2-CG 4.4Å; T107-W109 CarbonylContact O-C 3.57Å; T107-W109 WeakPolarHBondContact O-CA 3.16Å; T107-W109 PolarHBondContact O-N 3.01Å; T107-W109 PolarHBondContact OG1-O 3.47Å; W109-I158 HydrophobicContact CH2-CD1 4.19Å; W109-I158 HydrophobicContact CH2-CG1 4.33Å; W109-I158 HydrophobicContact CH2-CG2 4.11Å; W109-I158 HydrophobicContact CZ2-CD1 3.28Å; W109-I158 HydrophobicContact CZ2-CG1 3.88Å; W109-I158 HydrophobicContact CZ2-CG2 4.13Å; W109-I158 HydrophobicContact CZ3-CG2 4.38Å; W109-Y246 AromaticContact CE3-CD1 3.83Å; W109-Y246 HydrophobicContact CE3-CD1 3.83Å; W109-Y246 AromaticContact CE3-CE1 3.99Å; W109-Y246 HydrophobicContact CE3-CE1 3.99Å; W109-Y246 HydrophobicContact CE3-CG 4.31Å; W109-Y246 HydrophobicContact CH2-CD1 4.25Å; W109-Y246 HydrophobicContact CH2-CD2 4.4Å; W109-Y246 AromaticContact CH2-CG 3.91Å; W109-Y246 HydrophobicContact CH2-CG 3.91Å; W109-Y246 AromaticContact CZ3-CD1 3.27Å; W109-Y246 HydrophobicContact CZ3-CD1 3.27Å; W109-Y246 HydrophobicContact CZ3-CD2 4.11Å; W109-Y246 AromaticContact CZ3-CE1 3.87Å; W109-Y246 HydrophobicContact CZ3-CE1 3.87Å; W109-Y246 AromaticContact CZ3-CG 3.38Å; W109-Y246 HydrophobicContact CZ3-CG 3.38Å
110G32.1Very low37.6Very low48 Ų48115.1 Ų115.150%0.49568%0.677SS.*  trans56.296.815800000116.6N108N108-G110 PolarHBondContact O-N 2.94Å
111A31.2Very low37.4Very low66 Ų66117.6 Ų117.655%0.54568%0.684SS.*  trans-155112.8149.700000110.5
112E31.2Very low37.1Very low186 Ų186117.4 Ų117.487%0.86968%0.683SS**  trans71106.8145.3-56.5-178.4-162.400119.2E114E112-E114 PolarHBondContact O-N 3.1Å; E112-E114 VanDerWaalsContact O-N 3.1Å
113N32Very low36.7Very low169 Ų169120.6 Ų120.690%0.90469%0.687SS**  trans-10.894.8153.4-61.9-22.4000116.2
114E32.7Very low35.9Very low187 Ų187119.2 Ų119.287%0.87469%0.689SS**  trans-124.8109.4149.3-70.8-167.5168.700108.7E112 D116E112-E114 PolarHBondContact O-N 3.1Å; E112-E114 VanDerWaalsContact O-N 3.1Å; E114-D116 PolarHBondContact O-N 2.88Å; E114-D116 VanDerWaalsContact O-N 3.16Å
115N31Very low35.3Very low165 Ų165125.3 Ų125.388%0.88272%0.718SS**  trans-52.2113.5165.3-83.5-29.1000108.7
116D33.9Very low34.8Very low159 Ų159130 Ų13085%0.8574%0.74SS**  trans-139.298.5148.5-128.9-7.5000110.3E114E114-D116 PolarHBondContact O-N 2.88Å; E114-D116 VanDerWaalsContact O-N 3.16Å
117S31.4Very low34.5Very low110 Ų110129.8 Ų129.877%0.76975%0.745SS**  trans-72.8114.4164.847.60000108.8
118S34Very low34Very low103 Ų103135.7 Ų135.772%0.7278%0.775SS**  trans-154.1101.3150.2-1590000112.6
119D32.1Very low33.3Very low149 Ų149138.3 Ų138.380%0.79778%0.78SS**  trans-5.8138.8140.250.6-21.8000120.4
120G32.3Very low32.5Very low80 Ų80140.6 Ų140.683%0.82582%0.815SS**  trans148.798.8150.200000116.4
121E33.7Very low32.5Very low193 Ų193142.6 Ų142.690%0.90282%0.821SS**  trans-57.4152.3173.4-53.4-176168.600115.4
122S34.3Very low32.7Very low121 Ų121149 Ų14985%0.84684%0.836SS**  trans-178109.3130.4-172.80000110.7
123W33.5Very low32.9Very low253 Ų253142.3 Ų142.396%0.95881%0.809SS**  trans-90.5133.1176-70.883.7000111.3
124G30.7Very low33.3Very low71 Ų71140.2 Ų140.273%0.73279%0.793SS**  trans88.299.3150.500000116.5
125Q32.1Very low33.6Very low195 Ų195132 Ų13291%0.91176%0.756SS**  trans-138.4117.4144-94175.744.100109.6A127Q125-A127 PolarHBondContact O-N 2.84Å
126D33.3Very low34.1Very low170 Ų170130.3 Ų130.391%0.90974%0.741SS**  trans-56.8125.9175.5-60.9-58.1000111.6
127A35Very low34.5Very low95 Ų95125.2 Ų125.279%0.78571%0.713SS**  trans-135.183164.100000109.4Q125 K129Q125-A127 PolarHBondContact O-N 2.84Å; A127-K129 PolarHBondContact O-N 2.81Å
128D32.4Very low34.9Very low157 Ų157125.7 Ų125.784%0.8470%0.703SS**  trans-58.295.9161-174.117.7000109.9
129K33.7Very low35.1Very low192 Ų192124 Ų12484%0.83569%0.686SS**  trans-143.698.4156.3-75.2-167.5-178.9171.80108.1A127 S131A127-K129 PolarHBondContact O-N 2.81Å; K129-S131 PolarHBondContact O-N 2.83Å
130G30.1Very low35.6Very low84 Ų84121.2 Ų121.287%0.86668%0.678SS**  trans-57.279.6170.600000112.5
131S32.4Very low36.4Very low89 Ų89120.2 Ų120.262%0.62265%0.654SS**  trans-92.9110.5158.4-168.90000105.9K129 T133K129-S131 PolarHBondContact O-N 2.83Å; S131-T133 VanDerWaalsContact C-N 3.31Å; S131-T133 WeakPolarHBondContact O-CG2 3.5Å; S131-T133 PolarHBondContact O-N 3.11Å
132K35.6Very low37.5Very low200 Ų200120.3 Ų120.387%0.8766%0.655SS**  trans-62.592.8174.4-74.5174.3175.5178.10108.4
133T33.9Very low38.7Very low46 Ų46120.1 Ų120.128%0.28264%0.64SS.*  trans-92.7107.9-173.343.50000110.3Q10 P12 S131Q10-T133 PolarHBondContact OE1-O 2.97Å; P12-T133 HydrophobicContact CB-CG2 3.61Å; P12-T133 HydrophobicContact CG-CG2 4.13Å; S131-T133 VanDerWaalsContact C-N 3.31Å; S131-T133 WeakPolarHBondContact O-CG2 3.5Å; S131-T133 PolarHBondContact O-N 3.11Å
134H41.7Very low40.8Very low126 Ų126108.6 Ų108.658%0.58360%0.598SS**  trans-86.9137.9-179.6-171.9-72.5000110.1K136H134-K136 PolarHBondContact O-N 2.71Å; H134-K136 VanDerWaalsContact O-N 3.13Å
135C39.4Very low43.1Very low14 Ų14106.4 Ų106.410%0.09557%0.572CS.*  trans-71.3100.8162-62.50000107.3L16 I137 C153L16-C135 HydrophobicContact CD1-CB 4.47Å; C135-I137 PolarHBondContact O-N 3.31Å; C135-C153 HydrophobicContact CB-CB 4.45Å
136K40.7Very low45.6Very low130 Ų13099.4 Ų99.457%0.56554%0.544SS*.  trans-65.4125.5174.9-74.6-176.5177.9-179.20107.3I15 H134 E138I15-K136 WeakPolarHBondContact CA-O 3.38Å; I15-K136 WeakPolarHBondContact CG1-O 3.37Å; I15-K136 WeakPolarHBondContact CG2-O 3.11Å; H134-K136 PolarHBondContact O-N 2.71Å; H134-K136 VanDerWaalsContact O-N 3.13Å; K136-E138 PolarHBondContact O-N 3.07Å
137I41.7Very low48Very low51 Ų5194.1 Ų94.126%0.26252%0.516SS..  trans-90.496.4170.3-61.8155.8000105.2N26 I28 C135N26-I137 HydrophobicContact CB-CD1 3.51Å; N26-I137 WeakPolarHBondContact ND2-CD1 3.02Å; I28-I137 HydrophobicContact CD1-CG2 4.39Å; C135-I137 PolarHBondContact O-N 3.31Å
138E39.7Very low50.4Low121 Ų12195.5 Ų95.557%0.56551%0.51SS*.  trans-95.8116.9159-70-177.217900105.7I15 K136 S140I15-E138 HydrophobicContact CD1-CB 4.26Å; I15-E138 HydrophobicContact CD1-CG 4.48Å; I15-E138 HydrophobicContact CG2-CB 4.26Å; I15-E138 WeakPolarHBondContact CG2-O 3.5Å; K136-E138 PolarHBondContact O-N 3.07Å; E138-S140 PolarHBondContact O-N 3.44Å
139N39.2Very low53Low68 Ų6888.5 Ų88.536%0.36448%0.475SS..  trans-60.183.5169.2-84.5-21.3000107.9N141 S144N139-N141 CarbonylContact O-C 3.47Å; N139-N141 PolarHBondContact O-N 3.35Å; N139-N141 VanDerWaalsContact O-N 3.16Å; N139-S144 VanDerWaalsContact CG-OG 3.23Å; N139-S144 PolarHBondContact ND2-O 2.93Å; N139-S144 PolarHBondContact OD1-OG 2.58Å
140S42Very low55.6Low90 Ų9081 Ų8163%0.62944%0.442SS*.SBendtrans-63-16.8174.652.30000111.7E138E138-S140 PolarHBondContact O-N 3.44Å
141N50Low58.5Low58 Ų5877.2 Ų77.231%0.3140%0.401SS..SBendtrans-102.8109.3162.7-65.4-30.8000108N139 Q143 S144N139-N141 CarbonylContact O-C 3.47Å; N139-N141 PolarHBondContact O-N 3.35Å; N139-N141 VanDerWaalsContact O-N 3.16Å; N141-Q143 PolarHBondContact O-N 3.24Å; N141-S144 PolarHBondContact O-N 2.82Å; N141-S144 PolarHBondContact O-OG 3.41Å
142E55.7Low61.2Low196 Ų19675.8 Ų75.892%0.91639%0.385SS*.THydrogen-bonded Turntrans-55.53.1-178.5-66-178.1158.700115.3
143Q60.4Low63.8Low116 Ų11667.1 Ų67.154%0.54235%0.349SS..THydrogen-bonded Turntrans-125.30.8-176.9-63.8178.11.100114.4P31 C32 N141P31-Q143 HydrophobicContact CB-CB 4.09Å; C32-Q143 PolarHBondContact N-O 3.47Å; C32-Q143 PolarHBondContact SG-OE1 2.02Å; N141-Q143 PolarHBondContact O-N 3.24Å
144S76.6Confident66.6Low12 Ų1266.1 Ų66.18%0.08434%0.34CS..  trans-79.7146.3171.253.40000110.8T29 N139 N141T29-S144 VanDerWaalsContact O-CB 3.27Å; T29-S144 WeakPolarHBondContact O-CB 3.24Å; N139-S144 VanDerWaalsContact CG-OG 3.23Å; N139-S144 PolarHBondContact ND2-O 2.93Å; N139-S144 PolarHBondContact OD1-OG 2.58Å; N141-S144 PolarHBondContact O-N 2.82Å; N141-S144 PolarHBondContact O-OG 3.41Å
145S80.3Confident68.9Low24 Ų2461.3 Ų61.317%0.16832%0.321CS..  trans-112.6164.7174.172.60000110T29 V33 P35T29-S145 WeakPolarHBondContact CG2-OG 3.43Å; T29-S145 PolarHBondContact N-O 3.48Å; T29-S145 PolarHBondContact OG1-N 2.73Å; T29-S145 PolarHBondContact OG1-O 2.9Å; T29-S145 PolarHBondContact OG1-OG 2.68Å; V33-S145 PolarHBondContact O-OG 3.1Å; P35-S145 WeakPolarHBondContact CD-OG 3.37Å; P35-S145 VanDerWaalsContact CG-OG 3.26Å; P35-S145 WeakPolarHBondContact CG-OG 3.4Å
146S83.3Confident71.4Confident49 Ų4961.1 Ų61.134%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-134.5151.2175.262.70000113L27L27-S146 WeakPolarHBondContact O-CA 3.39Å; L27-S146 WeakPolarHBondContact O-CB 3.43Å
147L83.7Confident73.8Confident58 Ų5857 Ų5730%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-116.6123170.118068.5000108.3N26 L27 P35 I41 F72 G149N26-L147 WeakPolarHBondContact CA-O 3.31Å; N26-L147 WeakPolarHBondContact CB-O 3.39Å; L27-L147 HydrophobicContact CB-CB 4.24Å; L27-L147 HydrophobicContact CD2-CB 4.44Å; L27-L147 PolarHBondContact N-O 2.97Å; L27-L147 PolarHBondContact O-N 3.25Å; L27-L147 VanDerWaalsContact O-N 3.13Å; P35-L147 HydrophobicContact CB-CB 4.2Å; I41-L147 HydrophobicContact CD1-CD2 3.91Å; F72-L147 HydrophobicContact CE1-CD2 4.49Å; L147-G149 PolarHBondContact O-N 2.87Å
148N85.1Confident76.2Confident124 Ų12455.9 Ų55.966%0.66330%0.297SS*.  trans-61.4124.2-177.9-72.1-23.5000110.9N26N26-N148 PolarHBondContact ND2-OD1 3.26Å; N26-N148 VanDerWaalsContact ND2-OD1 3.09Å; N26-N148 WeakPolarHBondContact OD1-CA 3.36Å
149G87.3Confident78.7Confident11 Ų1156.2 Ų56.211%0.11329%0.294CS..  trans-100165171.900000111.8G25 N26 L147G25-G149 WeakPolarHBondContact O-CA 3.38Å; G25-G149 PolarHBondContact O-N 3.03Å; N26-G149 PolarHBondContact OD1-N 2.79Å; N26-G149 VanDerWaalsContact OD1-N 3.11Å; L147-G149 PolarHBondContact O-N 2.87Å
150R88.8Confident81.2Confident34 Ų3457.6 Ų57.613%0.12830%0.299CS..SBendtrans-98.4-11.7-174.782.7-168.8-56.8172.28115.2D51 S292 L295D51-R150 HydrophobicContact CB-CG 4.3Å; D51-R150 WeakPolarHBondContact OD1-CD 3.3Å; D51-R150 IonicContact OD1-CZ 3.15Å; D51-R150 IonicContact OD1-NE 2.68Å; D51-R150 IonicContact OD1-NH1 3.36Å; D51-R150 PolarHBondContact OD1-NH1 3.14Å; D51-R150 VanDerWaalsContact OD2-CD 3.23Å; D51-R150 WeakPolarHBondContact OD2-CD 3.22Å; D51-R150 IonicContact OD2-CZ 3.46Å; D51-R150 IonicContact OD2-NE 2.71Å; D51-R150 IonicContact OD2-NH1 3.84Å; D51-R150 PolarHBondContact OD2-NH1 3.24Å; R150-S292 VanDerWaalsContact O-CB 3.31Å; R150-S292 WeakPolarHBondContact O-CB 3.34Å; R150-S292 PolarHBondContact O-N 2.96Å; R150-L295 HydrophobicContact CB-CD1 3.79Å
151F90.5Very high83.4Confident4 Ų453.7 Ų53.72%0.01827%0.271CS..BIsolated β-bridgetrans-96.4151.6-177.4-57.1-65.9000110.6G25 D51 F52 I53 I75 L289 K290 V291 L307G25-F151 PolarHBondContact N-O 2.72Å; D51-F151 HydrophobicContact CB-CE2 3.84Å; D51-F151 HydrophobicContact CB-CZ 4.3Å; F52-F151 WeakPolarHBondContact O-CD2 3.35Å; I53-F151 HydrophobicContact CG1-CD2 4.5Å; I75-F151 HydrophobicContact CD1-CZ 4.35Å; I75-F151 HydrophobicContact CG2-CZ 3.97Å; F151-L289 HydrophobicContact CD1-CD2 3.71Å; F151-L289 HydrophobicContact CD2-CD2 4.12Å; F151-L289 HydrophobicContact CE1-CD2 3.71Å; F151-L289 HydrophobicContact CE2-CD2 4.12Å; F151-L289 HydrophobicContact CG-CD2 3.93Å; F151-L289 HydrophobicContact CZ-CD2 3.92Å; F151-K290 CarbonylContact C-O 3.14Å; F151-K290 WeakPolarHBondContact CA-O 3.43Å; F151-V291 HydrophobicContact CD1-CG2 4.4Å; F151-V291 HydrophobicContact CE1-CG2 4.19Å; F151-L307 HydrophobicContact CE1-CD1 4.06Å
152Q89.5Confident84.9Confident60 Ų6055.8 Ų55.828%0.2829%0.286SS..PPolyproline II helixtrans-59.9143.3170.2-66.7-175.724.400110.1G24 Y154 K290G24-Q152 WeakPolarHBondContact CA-O 3.4Å; Q152-Y154 HydrophobicContact CB-CD2 4.41Å; Q152-Y154 HydrophobicContact CB-CE2 3.64Å; Q152-Y154 WeakPolarHBondContact O-CD2 3.44Å; Q152-Y154 PolarHBondContact OE1-OH 2.92Å; Q152-K290 HydrophobicContact CB-CB 4.4Å; Q152-K290 HydrophobicContact CG-CB 4.19Å; Q152-K290 PolarHBondContact N-O 3.46Å
153C90.4Very high85.7Confident18 Ų1848.3 Ų48.312%0.12225%0.254CS..PPolyproline II helixtrans-85.2138.2-177.6-1600000110.8Q10 L16 F23 C135Q10-C153 WeakPolarHBondContact CG-O 3.25Å; L16-C153 WeakPolarHBondContact CD1-SG 3.48Å; F23-C153 CarbonylContact O-C 3.55Å; F23-C153 VanDerWaalsContact O-CA 3.31Å; F23-C153 WeakPolarHBondContact O-CA 3.3Å; C135-C153 HydrophobicContact CB-CB 4.45Å
154Y91.8Very high85.9Confident24 Ų2445.6 Ų45.69%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-145.1143.5178.7-67.1-72.9000110I7 N8 Q10 F22 F23 Q152I7-Y154 VanDerWaalsContact CG2-CB 3.47Å; I7-Y154 HydrophobicContact CG2-CD2 4.34Å; I7-Y154 HydrophobicContact CG2-CG 4.05Å; N8-Y154 WeakPolarHBondContact O-CB 3.5Å; N8-Y154 VanDerWaalsContact O-CD1 3.29Å; N8-Y154 WeakPolarHBondContact O-CD1 3.38Å; Q10-Y154 HydrophobicContact CB-CE1 4.47Å; Q10-Y154 HydrophobicContact CG-CD1 3.8Å; Q10-Y154 HydrophobicContact CG-CE1 3.66Å; F22-Y154 WeakPolarHBondContact CA-O 2.82Å; F22-Y154 WeakPolarHBondContact CB-O 3.46Å; F23-Y154 AromaticContact CD1-CD2 3.9Å; F23-Y154 HydrophobicContact CD1-CD2 3.9Å; F23-Y154 HydrophobicContact CE1-CD2 4.21Å; F23-Y154 PolarHBondContact N-O 2.65Å; F23-Y154 PolarHBondContact O-N 3.15Å; Q152-Y154 HydrophobicContact CB-CD2 4.41Å; Q152-Y154 HydrophobicContact CB-CE2 3.64Å; Q152-Y154 WeakPolarHBondContact O-CD2 3.44Å; Q152-Y154 PolarHBondContact OE1-OH 2.92Å
155S91.2Very high84.5Confident25 Ų2549.9 Ų49.918%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-73.6157.9169.954.20000110.4N8N8-S155 PolarHBondContact N-O 3.04Å; N8-S155 VanDerWaalsContact N-O 3.09Å
156I92.8Very high82.5Confident11 Ų1153.2 Ų53.26%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-109.9115.4172.8-56.5170.9000107.5I7 F23 M54 I158 I244I7-I156 HydrophobicContact CG1-CG1 4.23Å; F23-I156 HydrophobicContact CB-CD1 4.41Å; F23-I156 HydrophobicContact CB-CG1 4.3Å; M54-I156 HydrophobicContact CG-CD1 3.95Å; M54-I156 HydrophobicContact SD-CD1 3.74Å; I156-I158 HydrophobicContact CG2-CG1 4.12Å; I156-I244 HydrophobicContact CD1-CD1 4.19Å; I156-I244 HydrophobicContact CG2-CD1 3.95Å; I156-I244 HydrophobicContact CG2-CG1 4.32Å
157D90.9Very high80.1Confident43 Ų4356.5 Ų56.523%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-81.5124.8174-65.3-18.3000108.6G5 Y6 N8 Y159G5-D157 CarbonylContact C-O 3.56Å; G5-D157 VanDerWaalsContact CA-O 3.26Å; G5-D157 WeakPolarHBondContact CA-O 3.47Å; Y6-D157 PolarHBondContact N-O 2.78Å; Y6-D157 PolarHBondContact O-N 3.26Å; N8-D157 WeakPolarHBondContact CB-OD2 3.26Å; N8-D157 VanDerWaalsContact CG-OD2 3.27Å; N8-D157 PolarHBondContact ND2-OD2 3.26Å; D157-Y159 HydrophobicContact CB-CE2 3.69Å
158I91.7Very high77.7Confident27 Ų2758.5 Ų58.514%0.13832%0.324CS..EExtended strand (participates in β ladder)trans-115131.5-171.2-64.3145.9000109.4L3 V4 W109 I156L3-I158 HydrophobicContact CB-CG2 4.07Å; L3-I158 HydrophobicContact CD1-CG2 4.43Å; V4-I158 WeakPolarHBondContact O-CA 3.48Å; W109-I158 HydrophobicContact CH2-CD1 4.19Å; W109-I158 HydrophobicContact CH2-CG1 4.33Å; W109-I158 HydrophobicContact CH2-CG2 4.11Å; W109-I158 HydrophobicContact CZ2-CD1 3.28Å; W109-I158 HydrophobicContact CZ2-CG1 3.88Å; W109-I158 HydrophobicContact CZ2-CG2 4.13Å; W109-I158 HydrophobicContact CZ3-CG2 4.38Å; I156-I158 HydrophobicContact CG2-CG1 4.12Å
159Y91.4Very high75.1Confident128 Ų12858 Ų5850%0.50233%0.326SS..EExtended strand (participates in β ladder)trans-131.6157.3-179.5-53.5-86000110.9L3 V4 Y6 D157L3-Y159 CarbonylContact C-O 3.56Å; L3-Y159 VanDerWaalsContact CA-O 3.24Å; L3-Y159 WeakPolarHBondContact CA-O 3.21Å; V4-Y159 PolarHBondContact N-O 3.36Å; V4-Y159 PolarHBondContact O-N 2.88Å; Y6-Y159 AromaticContact CD2-CD2 3.9Å; Y6-Y159 HydrophobicContact CD2-CD2 3.9Å; Y6-Y159 AromaticContact CD2-CE2 3.99Å; Y6-Y159 HydrophobicContact CD2-CE2 3.99Å; Y6-Y159 HydrophobicContact CE2-CD2 4.21Å; D157-Y159 HydrophobicContact CB-CE2 3.69Å
160E91.7Very high72.3Confident98 Ų9862 Ų6246%0.45835%0.352SS..EExtended strand (participates in β ladder)trans-70.4137.2171-60-171.9169.700111.6M1 L3 T162M1-E160 WeakPolarHBondContact CE-OE2 3.14Å; M1-E160 HydrophobicContact SD-CB 4.02Å; M1-E160 HydrophobicContact SD-CG 3.59Å; M1-E160 VanDerWaalsContact SD-CG 3.59Å; L3-E160 HydrophobicContact CD2-CB 4.2Å; L3-E160 HydrophobicContact CD2-CG 3.81Å; E160-T162 PolarHBondContact O-N 3.5Å; E160-T162 VanDerWaalsContact O-N 3.14Å
161D88.4Confident69.6Low8 Ų868.7 Ų68.74%0.04338%0.384CS..  trans-80.395.2176.6-163.8-11.8000110.5A2 V4 T163 I164 R236 R245A2-D161 HydrophobicContact CB-CB 3.9Å; A2-D161 VanDerWaalsContact O-CB 3.32Å; A2-D161 WeakPolarHBondContact O-CB 3.46Å; A2-D161 PolarHBondContact O-N 2.83Å; V4-D161 HydrophobicContact CG1-CB 4.08Å; D161-T163 VanDerWaalsContact C-N 3.28Å; D161-T163 PolarHBondContact O-N 3.41Å; D161-T163 PolarHBondContact OD1-N 3.34Å; D161-T163 PolarHBondContact OD1-OG1 3.13Å; D161-I164 HydrophobicContact CB-CD1 4.24Å; D161-R236 IonicContact OD1-CZ 3.64Å; D161-R236 IonicContact OD1-NH1 3.45Å; D161-R236 PolarHBondContact OD1-NH1 3Å; D161-R236 IonicContact OD1-NH2 3.51Å; D161-R236 IonicContact OD2-CZ 3.99Å; D161-R236 IonicContact OD2-NH1 2.79Å; D161-R236 IonicContact OD2-NH2 3.84Å; D161-R236 PolarHBondContact OD2-NH2 3.44Å; D161-R245 IonicContact OD2-NE 2.7Å; D161-R245 PolarHBondContact OD2-NE 2.86Å
162T81.5Confident66.8Low102 Ų10274.6 Ų74.663%0.62642%0.421SS*.G310 helixtrans-76.8-12.6-178.355.80000113.8E160 I164 T165E160-T162 PolarHBondContact O-N 3.5Å; E160-T162 VanDerWaalsContact O-N 3.14Å; T162-I164 VanDerWaalsContact C-N 3.29Å; T162-I164 PolarHBondContact O-N 3.14Å; T162-T165 PolarHBondContact O-N 2.92Å; T162-T165 PolarHBondContact O-OG1 3.42Å
163T73.9Confident63.7Low39 Ų3978.7 Ų78.724%0.23945%0.45CS..G310 helixtrans-72.4-22-177.766.90000113.3D161 T165 T166D161-T163 VanDerWaalsContact C-N 3.28Å; D161-T163 PolarHBondContact O-N 3.41Å; D161-T163 PolarHBondContact OD1-N 3.34Å; D161-T163 PolarHBondContact OD1-OG1 3.13Å; T163-T165 VanDerWaalsContact C-N 3.28Å; T163-T165 PolarHBondContact O-N 3.19Å; T163-T166 PolarHBondContact O-OG1 3.16Å
164I62.9Low60.8Low58 Ų5886.3 Ų86.330%0.29748%0.484SS..G310 helixtrans-74.6-25.7179.6-59.6171.7000110.5A2 D161 T162 T166 T167 W247A2-I164 HydrophobicContact CB-CD1 3.39Å; D161-I164 HydrophobicContact CB-CD1 4.24Å; T162-I164 VanDerWaalsContact C-N 3.29Å; T162-I164 PolarHBondContact O-N 3.14Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 3.18Å; I164-T167 PolarHBondContact O-OG1 3.5Å; I164-W247 HydrophobicContact CD1-CE3 4.36Å; I164-W247 HydrophobicContact CD1-CH2 3.91Å; I164-W247 HydrophobicContact CD1-CZ2 4.3Å; I164-W247 HydrophobicContact CD1-CZ3 3.98Å; I164-W247 HydrophobicContact CG2-CH2 4.41Å
165T48.9Very low58Low102 Ų10290.7 Ų90.763%0.62652%0.516SS*.G310 helixtrans-75.3-20.9-176-32.90000112.6T162 T163T162-T165 PolarHBondContact O-N 2.92Å; T162-T165 PolarHBondContact O-OG1 3.42Å; T163-T165 VanDerWaalsContact C-N 3.28Å; T163-T165 PolarHBondContact O-N 3.19Å
166T36.3Very low55Low94 Ų9498.6 Ų98.658%0.57755%0.55SS*.G310 helixtrans-84.7-11.3-172.748.80000114.9T163 I164 S168T163-T166 PolarHBondContact O-OG1 3.16Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 3.18Å; T166-S168 VanDerWaalsContact C-N 3.32Å; T166-S168 PolarHBondContact O-N 3.31Å
167T33.4Very low52.1Low118 Ų118105.3 Ų105.372%0.72458%0.584SS**G310 helixtrans-83.1-2.5-179.632.30000114.7I164I164-T167 PolarHBondContact O-OG1 3.5Å
168S33.6Very low49.1Very low100 Ų100110.6 Ų110.670%0.69961%0.613SS**G310 helixtrans-95.6-5.8-179.2-51.60000115.1T166T166-S168 VanDerWaalsContact C-N 3.32Å; T166-S168 PolarHBondContact O-N 3.31Å
169T29.6Very low46.3Very low113 Ų113115.3 Ų115.369%0.69364%0.643SS**  trans-143.419.5-170.1370000116.8H171T169-H171 PolarHBondContact O-N 3.46Å
170S29.6Very low43.4Very low96 Ų96112.8 Ų112.867%0.67165%0.649SS**  trans-81.870.2166.763.60000110.9T172S170-T172 VanDerWaalsContact C-N 3.25Å; S170-T172 PolarHBondContact O-N 2.92Å
171H32.1Very low40.6Very low174 Ų174118.8 Ų118.881%0.80667%0.669SS**  trans-69.891.1156.2-77.1-70.9000107.4T169 T173T169-H171 PolarHBondContact O-N 3.46Å; H171-T173 PolarHBondContact O-N 3.45Å; H171-T173 VanDerWaalsContact O-N 3.09Å
172T30.7Very low37.9Very low129 Ų129126.4 Ų126.479%0.79170%0.704SS**  trans-61.3107.2160.935.10000107.9S170 E174S170-T172 VanDerWaalsContact C-N 3.25Å; S170-T172 PolarHBondContact O-N 2.92Å; T172-E174 PolarHBondContact O-N 2.8Å
173T24.6Very low35.6Very low145 Ų145128.3 Ų128.389%0.8971%0.71SS**  trans-60.697.4170.421.50000109.9H171H171-T173 PolarHBondContact O-N 3.45Å; H171-T173 VanDerWaalsContact O-N 3.09Å
174E29.3Very low33.7Very low178 Ų178133.6 Ų133.683%0.83274%0.737SS**  trans-101.4147.7154.1-82.7-167.515500109.7T172T172-E174 PolarHBondContact O-N 2.8Å
175P34.5Very low32.2Very low116 Ų116137.7 Ų137.775%0.75376%0.759SS**  trans-85.7128.2-156.1132.3000113.2
176E28.5Very low31.5Very low191 Ų191140.3 Ų140.389%0.89377%0.769SS**  trans27.190.2144.1-62.9-178.9175.600117.2
177I30.7Very low31.5Very low153 Ų153142.7 Ų142.779%0.78578%0.777SS**  trans-119.8103.6146.5-60.8179.6000107.5T179I177-T179 PolarHBondContact O-N 3.25Å; I177-T179 VanDerWaalsContact O-N 3.14Å
178D27.4Very low31.4Very low154 Ų154144.8 Ų144.882%0.82478%0.779SS**  trans-61.9102.5177.6-166.59.8000110.4
179T32.8Very low31.4Very low125 Ų125145.8 Ų145.877%0.76778%0.78SS**  trans-133.691.6163.644.70000109.3I177 Y181I177-T179 PolarHBondContact O-N 3.25Å; I177-T179 VanDerWaalsContact O-N 3.14Å; T179-Y181 PolarHBondContact O-N 3.01Å
180A31.2Very low31.5Very low76 Ų76146.5 Ų146.563%0.62878%0.78SS**  trans-64.4115165.200000110.4
181Y33.7Very low31.9Very low224 Ų224147.5 Ų147.588%0.87879%0.787SS**  trans-163.1119.4144.2-81.2-67.1000109.3T179T179-Y181 PolarHBondContact O-N 3.01Å
182H30.9Very low32.7Very low168 Ų168142.8 Ų142.878%0.77877%0.773SS**  trans10.6135.1137.5-76.7-71.5000117.8
183D33.4Very low34Very low141 Ų141138.7 Ų138.775%0.75475%0.75SS**  cis-153.5149.144.2-92.2-43.6000112.8D185D183-D185 PolarHBondContact O-N 2.64Å; D183-D185 VanDerWaalsContact O-N 3.09Å
184D33.2Very low36.2Very low151 Ų151133.1 Ų133.181%0.80772%0.716SS**  trans-66.891.4170.6-66.9-55.6000111.1D186D184-D186 PolarHBondContact O-N 3.15Å
185D33Very low38.5Very low144 Ų144125.1 Ų125.177%0.7768%0.68SS**  trans-86.999.3156.8-81.1-31.2000107.8D183 I187D183-D185 PolarHBondContact O-N 2.64Å; D183-D185 VanDerWaalsContact O-N 3.09Å; D185-I187 PolarHBondContact O-N 3.13Å
186D33.4Very low40.8Very low156 Ų156119.6 Ų119.683%0.83464%0.644SS**  trans-52.591.7163.3-77.5-43.5000108.4D184 E188D184-D186 PolarHBondContact O-N 3.15Å; D186-E188 PolarHBondContact O-N 3.01Å
187I36.5Very low43.2Very low145 Ų145116.1 Ų116.174%0.74463%0.626SS**  trans-67.290.3167.3-62.8173.8000105.3D185 V189D185-I187 PolarHBondContact O-N 3.13Å; I187-V189 HydrophobicContact CG2-CG2 4.24Å; I187-V189 PolarHBondContact O-N 2.89Å
188E30Very low45.6Very low162 Ų162111.1 Ų111.176%0.75760%0.601SS**  trans-58.892.1166.2-144.6-178.8-164.600105.9D186 N190D186-E188 PolarHBondContact O-N 3.01Å; E188-N190 PolarHBondContact O-N 2.78Å
189V34.8Very low48.1Very low121 Ų121103.9 Ų103.973%0.73356%0.562SS**  trans-65.188.5172.7179.30000105.3I187 S191I187-V189 HydrophobicContact CG2-CG2 4.24Å; I187-V189 PolarHBondContact O-N 2.89Å; V189-S191 VanDerWaalsContact C-N 3.3Å; V189-S191 PolarHBondContact O-N 2.9Å
190N31Very low50.3Low128 Ų12899.4 Ų99.468%0.68453%0.533SS*.  trans-53.7102.1171.1-98.5-42.3000106.3E188 S192E188-N190 PolarHBondContact O-N 2.78Å; N190-S192 PolarHBondContact O-N 2.86Å
191S37.6Very low52.5Low116 Ų11698.2 Ų98.281%0.81152%0.52SS*.  trans-7345.6176.757.50000109.7V189 S193V189-S191 VanDerWaalsContact C-N 3.3Å; V189-S191 PolarHBondContact O-N 2.9Å; S191-S193 PolarHBondContact O-N 3.08Å
192S49.1Very low54.5Low75 Ų7593.4 Ų93.452%0.52450%0.504SS..  trans-67.7100.6169.963.70000107N190N190-S192 PolarHBondContact O-N 2.86Å
193S57.9Low56.4Low43 Ų4387.3 Ų87.330%0.30147%0.474SS..  trans-46.6129.3175-160.80000109.8S191 S195 S249 R319S191-S193 PolarHBondContact O-N 3.08Å; S193-S195 PolarHBondContact O-N 2.83Å; S193-S249 PolarHBondContact OG-OG 2.88Å; S193-R319 PolarHBondContact OG-NH1 3.15Å; S193-R319 VanDerWaalsContact OG-NH1 3.15Å; S193-R319 PolarHBondContact OG-NH2 3.1Å
194P71.9Confident57.8Low28 Ų2883.6 Ų83.618%0.18246%0.459CS..  trans-50.6104.8-171.5-32.735.4000114.6I199 S249 Q251P194-I199 HydrophobicContact CB-CG1 4.41Å; P194-S249 VanDerWaalsContact CD-O 3.31Å; P194-S249 WeakPolarHBondContact CD-O 3.21Å; P194-Q251 HydrophobicContact CG-CG 4.25Å
195S77.8Confident59.3Low10 Ų1082.5 Ų82.57%0.0745%0.449CS..  trans-79.4151.4173.1111.20000109.2S193 K197 N198 I199 E274S193-S195 PolarHBondContact O-N 2.83Å; S195-K197 PolarHBondContact O-N 2.86Å; S195-K197 PolarHBondContact OG-N 2.79Å; S195-N198 CarbonylContact O-C 3.58Å; S195-N198 WeakPolarHBondContact O-CB 3.29Å; S195-N198 PolarHBondContact O-N 2.61Å; S195-N198 WeakPolarHBondContact OG-CB 3.45Å; S195-N198 PolarHBondContact OG-N 3.09Å; S195-N198 PolarHBondContact OG-OD1 2.92Å; S195-I199 WeakPolarHBondContact O-CG1 3.41Å; S195-I199 PolarHBondContact O-N 2.8Å; S195-E274 VanDerWaalsContact C-OE1 3.28Å; S195-E274 VanDerWaalsContact CA-CD 3.41Å; S195-E274 WeakPolarHBondContact CA-OE1 3.46Å; S195-E274 WeakPolarHBondContact CB-OE1 3.45Å; S195-E274 VanDerWaalsContact CB-OE2 3.23Å; S195-E274 WeakPolarHBondContact CB-OE2 3.33Å; S195-E274 PolarHBondContact OG-OE1 3.28Å
196I81Confident60.9Low0 Ų079.3 Ų79.30%043%0.429CS..Hα-helixtrans-58.2-36.9173.7-81.1171.3000110.1N198 I199 L200 L262 E274 R275 F316I196-N198 VanDerWaalsContact C-N 3.31Å; I196-N198 PolarHBondContact O-N 3.36Å; I196-I199 PolarHBondContact O-N 2.82Å; I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.33Å; I196-L200 PolarHBondContact O-N 3.43Å; I196-L262 HydrophobicContact CG2-CD2 4.21Å; I196-L262 HydrophobicContact CG2-CG 3.92Å; I196-E274 PolarHBondContact N-OE1 2.8Å; I196-R275 HydrophobicContact CD1-CB 3.75Å; I196-R275 WeakPolarHBondContact CD1-O 3.26Å; I196-R275 WeakPolarHBondContact CG1-O 3.34Å; I196-F316 HydrophobicContact CD1-CB 4.45Å; I196-F316 HydrophobicContact CD1-CD1 3.66Å; I196-F316 HydrophobicContact CD1-CE1 4.19Å; I196-F316 HydrophobicContact CD1-CG 4.22Å; I196-F316 HydrophobicContact CG1-CD1 3.77Å; I196-F316 HydrophobicContact CG1-CE1 3.88Å
197K81Confident62.2Low118 Ų11873.1 Ų73.151%0.51340%0.397SS..Hα-helixtrans-64.6-38.6176.8-64.9178.5178.4177.10111.4S195 L200 S201S195-K197 PolarHBondContact O-N 2.86Å; S195-K197 PolarHBondContact OG-N 2.79Å; K197-L200 PolarHBondContact O-N 2.85Å; K197-S201 WeakPolarHBondContact O-CB 3.1Å; K197-S201 PolarHBondContact O-N 2.81Å; K197-S201 PolarHBondContact O-OG 2.81Å
198N80.1Confident63.3Low49 Ų4972 Ų7226%0.26239%0.391SS..Hα-helixtrans-72.2-34.7178.2-65.38.2000111.4S195 I196 S201 K202S195-N198 CarbonylContact O-C 3.58Å; S195-N198 WeakPolarHBondContact O-CB 3.29Å; S195-N198 PolarHBondContact O-N 2.61Å; S195-N198 WeakPolarHBondContact OG-CB 3.45Å; S195-N198 PolarHBondContact OG-N 3.09Å; S195-N198 PolarHBondContact OG-OD1 2.92Å; I196-N198 VanDerWaalsContact C-N 3.31Å; I196-N198 PolarHBondContact O-N 3.36Å; N198-S201 WeakPolarHBondContact CA-OG 3.46Å; N198-S201 PolarHBondContact O-OG 2.81Å; N198-S201 VanDerWaalsContact O-OG 3.07Å; N198-K202 WeakPolarHBondContact O-CB 3.15Å; N198-K202 VanDerWaalsContact O-CG 3.3Å; N198-K202 WeakPolarHBondContact O-CG 3.35Å; N198-K202 PolarHBondContact O-N 3.39Å; N198-K202 VanDerWaalsContact O-N 3.1Å
199I80.4Confident64.8Low1 Ų168.5 Ų68.51%0.00538%0.377CS..Hα-helixtrans-61.1-55.3171.3-66.5166.2000108P194 S195 I196 S201 K202 W203 P252 F254 F316P194-I199 HydrophobicContact CB-CG1 4.41Å; S195-I199 WeakPolarHBondContact O-CG1 3.41Å; S195-I199 PolarHBondContact O-N 2.8Å; I196-I199 PolarHBondContact O-N 2.82Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.78Å; I199-K202 PolarHBondContact O-N 2.98Å; I199-W203 PolarHBondContact O-N 2.82Å; I199-P252 HydrophobicContact CD1-CG 4.13Å; I199-P252 HydrophobicContact CG2-CG 4.45Å; I199-F254 HydrophobicContact CG2-CE2 4.13Å; I199-F316 HydrophobicContact CD1-CE1 4.29Å
200L78Confident66Low31 Ų3164.8 Ų64.816%0.16235%0.353CS..Hα-helixtrans-60.6-37.9-178.7-67.4173.4000113.3I196 K197 W203 S204 P258 L262 V263I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.33Å; I196-L200 PolarHBondContact O-N 3.43Å; K197-L200 PolarHBondContact O-N 2.85Å; L200-W203 PolarHBondContact O-N 3.22Å; L200-S204 WeakPolarHBondContact O-CB 3.33Å; L200-S204 PolarHBondContact O-N 3.49Å; L200-P258 HydrophobicContact CD2-CB 3.66Å; L200-P258 HydrophobicContact CD2-CG 4.47Å; L200-L262 HydrophobicContact CD1-CB 4.29Å; L200-L262 HydrophobicContact CD2-CB 4.41Å; L200-L262 HydrophobicContact CD2-CD2 4.38Å; L200-V263 HydrophobicContact CD1-CB 3.7Å; L200-V263 HydrophobicContact CD1-CG2 4.37Å
201S77.3Confident67.3Low51 Ų5164 Ų6436%0.35735%0.345SS..Hα-helixtrans-66.8-48.8178.269.40000112.3K197 N198 I199 W203 S204 E205K197-S201 WeakPolarHBondContact O-CB 3.1Å; K197-S201 PolarHBondContact O-N 2.81Å; K197-S201 PolarHBondContact O-OG 2.81Å; N198-S201 WeakPolarHBondContact CA-OG 3.46Å; N198-S201 PolarHBondContact O-OG 2.81Å; N198-S201 VanDerWaalsContact O-OG 3.07Å; I199-S201 VanDerWaalsContact C-N 3.32Å; I199-S201 PolarHBondContact O-N 2.78Å; S201-W203 PolarHBondContact O-N 3.48Å; S201-S204 PolarHBondContact O-N 3.09Å; S201-S204 VanDerWaalsContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.36Å; S201-E205 PolarHBondContact O-N 2.93Å
202K75.4Confident68.3Low124 Ų12465.6 Ų65.654%0.53934%0.34SS..Hα-helixtrans-58.8-37.3177-74.9-177.2177.5-166.10112.1N198 I199 K206N198-K202 WeakPolarHBondContact O-CB 3.15Å; N198-K202 VanDerWaalsContact O-CG 3.3Å; N198-K202 WeakPolarHBondContact O-CG 3.35Å; N198-K202 PolarHBondContact O-N 3.39Å; N198-K202 VanDerWaalsContact O-N 3.1Å; I199-K202 PolarHBondContact O-N 2.98Å; K202-K206 PolarHBondContact O-N 3.04Å
203W71Confident68.8Low40 Ų4068.2 Ų68.215%0.15234%0.342CS..Hα-helixtrans-74.2-36.9177.3-77.269000112I199 L200 S201 E205 K206 V207 F254 G256 L257 P258I199-W203 PolarHBondContact O-N 2.82Å; L200-W203 PolarHBondContact O-N 3.22Å; S201-W203 PolarHBondContact O-N 3.48Å; W203-E205 PolarHBondContact O-N 3.44Å; W203-K206 CarbonylContact O-C 3.52Å; W203-K206 PolarHBondContact O-N 3.35Å; W203-V207 WeakPolarHBondContact O-CG2 3.37Å; W203-V207 PolarHBondContact O-N 3.37Å; W203-F254 HydrophobicContact CH2-CB 3.79Å; W203-F254 HydrophobicContact CH2-CD2 4.27Å; W203-F254 HydrophobicContact CH2-CG 4.48Å; W203-F254 HydrophobicContact CZ2-CB 4.24Å; W203-F254 AromaticContact CZ2-CD2 3.87Å; W203-F254 HydrophobicContact CZ2-CD2 3.87Å; W203-F254 HydrophobicContact CZ3-CB 4.34Å; W203-G256 VanDerWaalsContact CZ3-O 3.26Å; W203-G256 WeakPolarHBondContact CZ3-O 3.44Å; W203-L257 HydrophobicContact CE3-CD2 4.34Å; W203-P258 HydrophobicContact CB-CG 4.01Å; W203-P258 HydrophobicContact CD2-CG 3.56Å; W203-P258 HydrophobicContact CE3-CG 3.84Å; W203-P258 HydrophobicContact CG-CG 3.68Å; W203-P258 HydrophobicContact CZ3-CG 4.46Å
204S63.1Low68.8Low63 Ų6371 Ų7144%0.44135%0.353SS..Hα-helixtrans-58-34.9175.169.60000112.6L200 S201 L208L200-S204 WeakPolarHBondContact O-CB 3.33Å; L200-S204 PolarHBondContact O-N 3.49Å; S201-S204 PolarHBondContact O-N 3.09Å; S201-S204 VanDerWaalsContact O-N 3.11Å; S201-S204 PolarHBondContact O-OG 3.36Å; S204-L208 WeakPolarHBondContact O-CD1 3.48Å; S204-L208 PolarHBondContact O-N 2.98Å
205E65.7Low68Low127 Ų12778 Ų7859%0.59338%0.382SS*.Hα-helixtrans-68.9-45.4172.3-68169.2-173.600111.5S201 W203 V207 L208 I209S201-E205 PolarHBondContact O-N 2.93Å; W203-E205 PolarHBondContact O-N 3.44Å; E205-V207 PolarHBondContact O-N 3.2Å; E205-L208 PolarHBondContact O-N 3.44Å; E205-I209 WeakPolarHBondContact O-CG1 3.4Å; E205-I209 PolarHBondContact O-N 2.99Å
206K66.1Low67.1Low78 Ų7885.3 Ų85.334%0.33942%0.416SS..Hα-helixtrans-63.6-38.5177.1-169.9-179.9176.1-173.70113K202 W203 L208 I209 D210K202-K206 PolarHBondContact O-N 3.04Å; W203-K206 CarbonylContact O-C 3.52Å; W203-K206 PolarHBondContact O-N 3.35Å; K206-L208 VanDerWaalsContact C-N 3.32Å; K206-L208 PolarHBondContact O-N 2.72Å; K206-I209 WeakPolarHBondContact O-CB 3.27Å; K206-I209 PolarHBondContact O-N 3.09Å; K206-I209 VanDerWaalsContact O-N 3.13Å; K206-D210 VanDerWaalsContact CE-OD2 3.29Å; K206-D210 WeakPolarHBondContact CE-OD2 3.45Å; K206-D210 PolarHBondContact O-N 2.68Å
207V59.5Low66Low26 Ų2689.2 Ų89.216%0.15844%0.436CS..Hα-helixtrans-59-44.5178.6179.60000111.3W203 E205 I209 D210 Q211 L257W203-V207 WeakPolarHBondContact O-CG2 3.37Å; W203-V207 PolarHBondContact O-N 3.37Å; E205-V207 PolarHBondContact O-N 3.2Å; V207-I209 PolarHBondContact O-N 3.05Å; V207-D210 PolarHBondContact O-N 2.94Å; V207-Q211 HydrophobicContact CG1-CG 4.18Å; V207-Q211 WeakPolarHBondContact O-CB 3.48Å; V207-Q211 WeakPolarHBondContact O-CG 3.47Å; V207-Q211 PolarHBondContact O-N 3.01Å; V207-L257 HydrophobicContact CB-CD1 4.41Å; V207-L257 HydrophobicContact CB-CD2 4.2Å; V207-L257 HydrophobicContact CG1-CD1 3.71Å; V207-L257 HydrophobicContact CG1-CD2 4.34Å; V207-L257 HydrophobicContact CG2-CD1 3.83Å; V207-L257 HydrophobicContact CG2-CD2 3.21Å; V207-L257 HydrophobicContact CG2-CG 4.07Å
208L60Low65.1Low121 Ų12191.3 Ų91.363%0.63445%0.454SS*.Hα-helixtrans-60.3-35.7179.6-81156.2000111.1S204 E205 K206S204-L208 WeakPolarHBondContact O-CD1 3.48Å; S204-L208 PolarHBondContact O-N 2.98Å; E205-L208 PolarHBondContact O-N 3.44Å; K206-L208 VanDerWaalsContact C-N 3.32Å; K206-L208 PolarHBondContact O-N 2.72Å
209I62.3Low64.2Low88 Ų8896.1 Ų96.145%0.45148%0.479SS..Hα-helixtrans-73.8-53.6176.3-59.6166.8000109.9E205 K206 V207 Q211 E212 F213E205-I209 WeakPolarHBondContact O-CG1 3.4Å; E205-I209 PolarHBondContact O-N 2.99Å; K206-I209 WeakPolarHBondContact O-CB 3.27Å; K206-I209 PolarHBondContact O-N 3.09Å; K206-I209 VanDerWaalsContact O-N 3.13Å; V207-I209 PolarHBondContact O-N 3.05Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.77Å; I209-E212 WeakPolarHBondContact O-CB 3.29Å; I209-E212 PolarHBondContact O-N 2.96Å; I209-F213 HydrophobicContact CG2-CD2 3.81Å; I209-F213 HydrophobicContact CG2-CE2 3.69Å; I209-F213 WeakPolarHBondContact O-CD2 3.23Å; I209-F213 PolarHBondContact O-N 3.27Å; I209-F213 VanDerWaalsContact O-N 3.16Å
210D59.4Low63.2Low43 Ų4399.5 Ų99.523%0.2350%0.5CS..Hα-helixtrans-60.7-35.3-176.9-68.5-6.4000111.9K206 V207 E212 F213 I214K206-D210 VanDerWaalsContact CE-OD2 3.29Å; K206-D210 WeakPolarHBondContact CE-OD2 3.45Å; K206-D210 PolarHBondContact O-N 2.68Å; V207-D210 PolarHBondContact O-N 2.94Å; D210-E212 VanDerWaalsContact C-N 3.33Å; D210-E212 PolarHBondContact O-N 2.99Å; D210-F213 PolarHBondContact O-N 2.87Å; D210-I214 WeakPolarHBondContact O-CB 3.45Å; D210-I214 WeakPolarHBondContact O-CG1 3.35Å; D210-I214 PolarHBondContact O-N 3.26Å
211Q58Low62.4Low113 Ų11399.8 Ų99.853%0.52851%0.511SS..Hα-helixtrans-63.8-37174.2-78.8-178.8-12.100112.7V207 I209 F213 E215V207-Q211 HydrophobicContact CG1-CG 4.18Å; V207-Q211 WeakPolarHBondContact O-CB 3.48Å; V207-Q211 WeakPolarHBondContact O-CG 3.47Å; V207-Q211 PolarHBondContact O-N 3.01Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.77Å; Q211-F213 VanDerWaalsContact C-N 3.29Å; Q211-F213 PolarHBondContact O-N 3.37Å; Q211-E215 PolarHBondContact O-N 3.03Å
212E59.9Low61.6Low149 Ų149103.3 Ų103.370%0.69653%0.532SS*.Hα-helixtrans-67-32.3175.4-164.6172.2-169.800111.3I209 D210I209-E212 WeakPolarHBondContact O-CB 3.29Å; I209-E212 PolarHBondContact O-N 2.96Å; D210-E212 VanDerWaalsContact C-N 3.33Å; D210-E212 PolarHBondContact O-N 2.99Å
213F59.6Low61.2Low130 Ų130104.1 Ų104.157%0.5754%0.538SS*.Hα-helixtrans-81-37.8175.9-82-83.7000114.2I209 D210 Q211 E215 E216I209-F213 HydrophobicContact CG2-CD2 3.81Å; I209-F213 HydrophobicContact CG2-CE2 3.69Å; I209-F213 WeakPolarHBondContact O-CD2 3.23Å; I209-F213 PolarHBondContact O-N 3.27Å; I209-F213 VanDerWaalsContact O-N 3.16Å; D210-F213 PolarHBondContact O-N 2.87Å; Q211-F213 VanDerWaalsContact C-N 3.29Å; Q211-F213 PolarHBondContact O-N 3.37Å; F213-E215 VanDerWaalsContact C-N 3.26Å; F213-E215 PolarHBondContact O-N 3.45Å; F213-E216 WeakPolarHBondContact O-CB 3.45Å; F213-E216 PolarHBondContact O-N 2.79Å
214I57Low61.3Low102 Ų102104.7 Ų104.752%0.52355%0.548SS..Hα-helixtrans-66.5-28.8-178.6-70.7163.6000111.4D210 E216 D217D210-I214 WeakPolarHBondContact O-CB 3.45Å; D210-I214 WeakPolarHBondContact O-CG1 3.35Å; D210-I214 PolarHBondContact O-N 3.26Å; I214-E216 PolarHBondContact O-N 3.02Å; I214-E216 VanDerWaalsContact O-N 3.09Å; I214-D217 PolarHBondContact O-N 3.03Å
215E56.4Low62.2Low173 Ų173105.5 Ų105.581%0.80854%0.544SS*.THydrogen-bonded Turntrans-60.2-15.2171.3-72.5-170.5-178.400113Q211 F213Q211-E215 PolarHBondContact O-N 3.03Å; F213-E215 VanDerWaalsContact C-N 3.26Å; F213-E215 PolarHBondContact O-N 3.45Å
216E58.9Low63.1Low164 Ų164100.6 Ų100.677%0.76652%0.523SS*.THydrogen-bonded Turntrans-97-21.8176.2-60.8-170158.700114.6F213 I214F213-E216 WeakPolarHBondContact O-CB 3.45Å; F213-E216 PolarHBondContact O-N 2.79Å; I214-E216 PolarHBondContact O-N 3.02Å; I214-E216 VanDerWaalsContact O-N 3.09Å
217D57.9Low63.9Low82 Ų82102 Ų10244%0.43953%0.534SS..  trans-10987.1-174.5-167.54.2000113.4I214 N219 T220I214-D217 PolarHBondContact O-N 3.03Å; D217-N219 PolarHBondContact O-N 3.25Å; D217-N219 PolarHBondContact OD1-N 3.07Å; D217-T220 PolarHBondContact O-N 2.98Å
218D60.3Low65.1Low163 Ų163102 Ų10287%0.87254%0.54SS*.THydrogen-bonded Turntrans-59.9-7.9177-83.9-23.5000114.7
219N62.9Low66.5Low149 Ų14996.3 Ų96.380%0.79751%0.51SS*.THydrogen-bonded Turntrans-96-6.9-175-69.8-46.9000115.1D217 G221D217-N219 PolarHBondContact O-N 3.25Å; D217-N219 PolarHBondContact OD1-N 3.07Å; N219-G221 PolarHBondContact O-N 3.05Å
220T58.2Low67.8Low72 Ų7295.8 Ų95.844%0.44251%0.508SS..  trans-80.192.6-179.5-56.20000110.4D217 S224D217-T220 PolarHBondContact O-N 2.98Å; T220-S224 WeakPolarHBondContact CG2-OG 3.01Å
221G60.7Low69.1Low38 Ų3896.7 Ų96.739%0.39252%0.517SS..  trans-61.6150.2174.500000111.8N219 E223 S224N219-G221 PolarHBondContact O-N 3.05Å; G221-E223 PolarHBondContact O-N 3.46Å; G221-S224 WeakPolarHBondContact O-CB 3.5Å; G221-S224 PolarHBondContact O-N 3.22Å; G221-S224 PolarHBondContact O-OG 3.02Å; G221-S224 VanDerWaalsContact O-OG 3.12Å
222P61.6Low70.6Confident124 Ų12492.2 Ų92.281%0.80550%0.496SS*.THydrogen-bonded Turntrans-62.9-12.1-174.325.2-35000114.7N342P222-N342 PolarHBondContact O-ND2 3.28Å
223E66.5Low72Confident142 Ų14288.2 Ų88.266%0.66448%0.479SS*.THydrogen-bonded Turntrans-102.910.9177.9-55.4-149.817100114G221 N342G221-E223 PolarHBondContact O-N 3.46Å; E223-N342 WeakPolarHBondContact CA-ND2 3.05Å
224S73.2Confident73.3Confident51 Ų5185.5 Ų85.536%0.35748%0.481SS..SBendtrans-70.7150.7173.166.50000111.4T220 G221T220-S224 WeakPolarHBondContact CG2-OG 3.01Å; G221-S224 WeakPolarHBondContact O-CB 3.5Å; G221-S224 PolarHBondContact O-N 3.22Å; G221-S224 PolarHBondContact O-OG 3.02Å; G221-S224 VanDerWaalsContact O-OG 3.12Å
225F82.8Confident74.7Confident80 Ų8085.5 Ų85.535%0.35148%0.482SS..PPolyproline II helixtrans-66.4150165.3-63.2-39.5000110.1L229 L230 I233 N255 V311F225-L229 HydrophobicContact CB-CD2 4.25Å; F225-L229 HydrophobicContact CD1-CD2 3.93Å; F225-L229 HydrophobicContact CG-CD2 4.07Å; F225-L230 HydrophobicContact CB-CD1 4.37Å; F225-L230 HydrophobicContact CB-CD2 3.75Å; F225-L230 HydrophobicContact CB-CG 3.7Å; F225-L230 HydrophobicContact CD2-CD2 3.84Å; F225-L230 HydrophobicContact CG-CD2 4.31Å; F225-L230 WeakPolarHBondContact O-CD1 3.35Å; F225-I233 HydrophobicContact CD2-CD1 4.41Å; F225-I233 HydrophobicContact CE2-CD1 4.49Å; F225-N255 WeakPolarHBondContact CA-OD1 3.24Å; F225-V311 HydrophobicContact CD1-CG1 4.14Å; F225-V311 HydrophobicContact CE1-CG1 3.79Å; F225-V311 HydrophobicContact CE1-CG2 3.91Å
226S84.2Confident76.1Confident24 Ų2478.1 Ų78.117%0.16845%0.447CS..PPolyproline II helixtrans-67.7152.6171590000112.1G228 L229 L230 F254 N255 G256S226-G228 PolarHBondContact O-N 2.91Å; S226-G228 VanDerWaalsContact O-N 3.12Å; S226-L229 PolarHBondContact O-N 2.9Å; S226-L230 PolarHBondContact O-N 2.83Å; S226-F254 PolarHBondContact OG-O 3.13Å; S226-F254 VanDerWaalsContact OG-O 3.1Å; S226-N255 PolarHBondContact N-OD1 2.92Å; S226-G256 PolarHBondContact OG-N 2.79Å
227D83.4Confident77.2Confident107 Ų10773.2 Ų73.257%0.57244%0.44SS*.Hα-helixtrans-53.5-35.8177.3-61.1-17.4000113.6L230 S231D227-L230 PolarHBondContact O-N 3.15Å; D227-S231 WeakPolarHBondContact O-CB 3.45Å; D227-S231 PolarHBondContact O-N 2.99Å
228G84.9Confident78.2Confident26 Ų2678.6 Ų78.627%0.26846%0.462SS..Hα-helixtrans-63.1-44.7176.600000112.6S226 H232S226-G228 PolarHBondContact O-N 2.91Å; S226-G228 VanDerWaalsContact O-N 3.12Å; G228-H232 PolarHBondContact O-N 2.92Å; G228-H232 VanDerWaalsContact O-N 3.09Å
229L89.2Confident79.1Confident2 Ų280.2 Ų80.21%0.0146%0.458CS..Hα-helixtrans-71.7-40.8176.3-179.560.5000111.6F225 S226 H232 I233 I253 N255 F282 V311F225-L229 HydrophobicContact CB-CD2 4.25Å; F225-L229 HydrophobicContact CD1-CD2 3.93Å; F225-L229 HydrophobicContact CG-CD2 4.07Å; S226-L229 PolarHBondContact O-N 2.9Å; L229-H232 WeakPolarHBondContact O-CB 3.33Å; L229-H232 PolarHBondContact O-N 2.84Å; L229-I233 HydrophobicContact CD1-CD1 4.08Å; L229-I233 HydrophobicContact CD1-CG1 4.31Å; L229-I233 HydrophobicContact CG-CD1 3.93Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 2.64Å; L229-I253 HydrophobicContact CB-CG2 4.3Å; L229-I253 HydrophobicContact CD1-CG2 4.05Å; L229-N255 HydrophobicContact CD2-CB 3.78Å; L229-F282 HydrophobicContact CD1-CD1 4.5Å; L229-F282 HydrophobicContact CD1-CE1 3.93Å; L229-V311 HydrophobicContact CD2-CG1 3.53Å
230L88Confident80.1Confident77 Ų7774.6 Ų74.640%0.40344%0.435SS..Hα-helixtrans-61-46175.9-73.1173.9000111.8F225 S226 D227 H232 I233 A234F225-L230 HydrophobicContact CB-CD1 4.37Å; F225-L230 HydrophobicContact CB-CD2 3.75Å; F225-L230 HydrophobicContact CB-CG 3.7Å; F225-L230 HydrophobicContact CD2-CD2 3.84Å; F225-L230 HydrophobicContact CG-CD2 4.31Å; F225-L230 WeakPolarHBondContact O-CD1 3.35Å; S226-L230 PolarHBondContact O-N 2.83Å; D227-L230 PolarHBondContact O-N 3.15Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.92Å; L230-I233 PolarHBondContact O-N 3.04Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 2.9Å
231S87.5Confident81.7Confident62 Ų6272.4 Ų72.443%0.43442%0.422SS..Hα-helixtrans-61.1-42.9176.2-178.20000111.2D227 I233 A234 N235D227-S231 WeakPolarHBondContact O-CB 3.45Å; D227-S231 PolarHBondContact O-N 2.99Å; S231-I233 PolarHBondContact O-N 3.49Å; S231-A234 PolarHBondContact O-N 3.01Å; S231-N235 WeakPolarHBondContact O-CB 3.41Å; S231-N235 PolarHBondContact O-N 3.4Å; S231-N235 PolarHBondContact O-ND2 3.14Å
232H89.9Confident83.3Confident19 Ų1970.6 Ų70.69%0.08840%0.404CS..Hα-helixtrans-57.5-50.9174.6-176.775.3000112G228 L229 L230 A234 N235 R236 E242 I253 F282G228-H232 PolarHBondContact O-N 2.92Å; G228-H232 VanDerWaalsContact O-N 3.09Å; L229-H232 WeakPolarHBondContact O-CB 3.33Å; L229-H232 PolarHBondContact O-N 2.84Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.92Å; H232-A234 PolarHBondContact O-N 2.87Å; H232-N235 PolarHBondContact O-N 3.37Å; H232-R236 PolarHBondContact CE1-NH2 2.95Å; H232-E242 IonicContact CE1-OE1 3.76Å; H232-E242 PolarHBondContact CE1-OE1 2.79Å; H232-E242 IonicContact NE2-OE1 2.87Å; H232-E242 PolarHBondContact NE2-OE1 2.81Å; H232-E242 IonicContact NE2-OE2 3.53Å; H232-I253 HydrophobicContact CB-CD1 3.91Å; H232-I253 HydrophobicContact CB-CG2 4.23Å; H232-I253 WeakPolarHBondContact CE1-CD1 3.44Å; H232-I253 WeakPolarHBondContact ND1-CD1 3.32Å; H232-F282 AromaticContact CD2-CZ 3.9Å; H232-F282 AromaticContact NE2-CZ 3.7Å
233I89.2Confident84.9Confident65 Ų6565.2 Ų65.233%0.33337%0.368SS..Hα-helixtrans-62.4-43.8179.7-66.4166.2000110.7F225 L229 L230 S231 N235 R236F225-I233 HydrophobicContact CD2-CD1 4.41Å; F225-I233 HydrophobicContact CE2-CD1 4.49Å; L229-I233 HydrophobicContact CD1-CD1 4.08Å; L229-I233 HydrophobicContact CD1-CG1 4.31Å; L229-I233 HydrophobicContact CG-CD1 3.93Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 2.64Å; L230-I233 PolarHBondContact O-N 3.04Å; S231-I233 PolarHBondContact O-N 3.49Å; I233-N235 VanDerWaalsContact C-N 3.31Å; I233-N235 PolarHBondContact O-N 3.33Å; I233-R236 WeakPolarHBondContact O-CB 3.45Å; I233-R236 PolarHBondContact O-N 3.29Å
234A87.1Confident86.3Confident73 Ų7358.6 Ų58.660%0.60334%0.337SS*.Hα-helixtrans-63-36.8-179.700000112.5L230 S231 H232 R236L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 2.9Å; S231-A234 PolarHBondContact O-N 3.01Å; H232-A234 PolarHBondContact O-N 2.87Å; A234-R236 PolarHBondContact O-N 3.29Å
235N86.7Confident87.4Confident103 Ų10356.5 Ų56.555%0.55132%0.322SS*.THydrogen-bonded Turntrans-73.2-7.8-179.7-70.6-21.9000113.9S231 H232 I233S231-N235 WeakPolarHBondContact O-CB 3.41Å; S231-N235 PolarHBondContact O-N 3.4Å; S231-N235 PolarHBondContact O-ND2 3.14Å; H232-N235 PolarHBondContact O-N 3.37Å; I233-N235 VanDerWaalsContact C-N 3.31Å; I233-N235 PolarHBondContact O-N 3.33Å
236R85.2Confident88.1Confident18 Ų1853.6 Ų53.67%0.06831%0.308CS..THydrogen-bonded Turntrans-77.6-18.6178.5-71.7-67.8-178.5-144-0.8114.3D161 H232 I233 A234 E238 Y239 G240 E242D161-R236 IonicContact OD1-CZ 3.64Å; D161-R236 IonicContact OD1-NH1 3.45Å; D161-R236 PolarHBondContact OD1-NH1 3Å; D161-R236 IonicContact OD1-NH2 3.51Å; D161-R236 IonicContact OD2-CZ 3.99Å; D161-R236 IonicContact OD2-NH1 2.79Å; D161-R236 IonicContact OD2-NH2 3.84Å; D161-R236 PolarHBondContact OD2-NH2 3.44Å; H232-R236 PolarHBondContact CE1-NH2 2.95Å; I233-R236 WeakPolarHBondContact O-CB 3.45Å; I233-R236 PolarHBondContact O-N 3.29Å; A234-R236 PolarHBondContact O-N 3.29Å; R236-E238 PolarHBondContact O-N 2.79Å; R236-Y239 PolarHBondContact O-N 2.92Å; R236-G240 WeakPolarHBondContact CB-O 3.34Å; R236-E242 IonicContact CZ-OE1 3.87Å; R236-E242 IonicContact CZ-OE2 2.76Å; R236-E242 IonicContact NE-OE1 3.22Å; R236-E242 IonicContact NE-OE2 2.92Å; R236-E242 PolarHBondContact NE-OE2 2.74Å; R236-E242 VanDerWaalsContact NH2-CD 3.33Å; R236-E242 IonicContact NH2-OE1 2.81Å; R236-E242 PolarHBondContact NH2-OE1 2.83Å; R236-E242 IonicContact NH2-OE2 3.52Å; R236-E242 PolarHBondContact NH2-OE2 3.25Å
237G81.5Confident88.7Confident60 Ų6055.1 Ų55.162%0.61931%0.31SS*.G310 helixtrans54.7-130.3175.400000113Y239 G240G237-Y239 PolarHBondContact O-N 2.85Å; G237-G240 PolarHBondContact O-N 2.91Å
238E80Confident89.2Confident196 Ų19652.9 Ų52.992%0.91629%0.294SS*.G310 helixtrans-71.2-26.1-172.1-59-178.3-175.400114.3R236 G240R236-E238 PolarHBondContact O-N 2.79Å; E238-G240 PolarHBondContact O-N 2.77Å
239Y77.7Confident89.7Confident196 Ų19652 Ų5277%0.76928%0.284SS*.G310 helixtrans-74.4-18.1-178.9-60.1-73.4000112.7R236 G237R236-Y239 PolarHBondContact O-N 2.92Å; G237-Y239 PolarHBondContact O-N 2.85Å
240G85.3Confident89.8Confident31 Ų3152 Ų5232%0.3228%0.284SS..  trans70178.9-174.400000113Y6 R236 G237 E238Y6-G240 PolarHBondContact OH-O 2.92Å; R236-G240 WeakPolarHBondContact CB-O 3.34Å; G237-G240 PolarHBondContact O-N 2.91Å; E238-G240 PolarHBondContact O-N 2.77Å
241C90.1Very high90Very high27 Ų2750.4 Ų50.418%0.18228%0.275CS..  trans-74.6130.2179-173.40000110.6T284C241-T284 HydrophobicContact CB-CG2 4Å
242E94.3Very high90.3Very high0 Ų047.8 Ų47.80%026%0.256CS..  trans-60.9152.6174.570.7-79.7-154.600112.4V4 Y6 H232 R236 I244 R245 F282 T284V4-E242 HydrophobicContact CB-CB 3.88Å; V4-E242 HydrophobicContact CB-CG 4.01Å; V4-E242 HydrophobicContact CG1-CB 4.29Å; V4-E242 HydrophobicContact CG1-CG 3.95Å; Y6-E242 HydrophobicContact CD1-CB 4.41Å; Y6-E242 VanDerWaalsContact CE1-CA 3.42Å; Y6-E242 HydrophobicContact CE1-CB 3.92Å; Y6-E242 HydrophobicContact CE2-CB 4.21Å; H232-E242 IonicContact CE1-OE1 3.76Å; H232-E242 PolarHBondContact CE1-OE1 2.79Å; H232-E242 IonicContact NE2-OE1 2.87Å; H232-E242 PolarHBondContact NE2-OE1 2.81Å; H232-E242 IonicContact NE2-OE2 3.53Å; R236-E242 IonicContact CZ-OE1 3.87Å; R236-E242 IonicContact CZ-OE2 2.76Å; R236-E242 IonicContact NE-OE1 3.22Å; R236-E242 IonicContact NE-OE2 2.92Å; R236-E242 PolarHBondContact NE-OE2 2.74Å; R236-E242 VanDerWaalsContact NH2-CD 3.33Å; R236-E242 IonicContact NH2-OE1 2.81Å; R236-E242 PolarHBondContact NH2-OE1 2.83Å; R236-E242 IonicContact NH2-OE2 3.52Å; R236-E242 PolarHBondContact NH2-OE2 3.25Å; E242-I244 WeakPolarHBondContact CG-O 3.18Å; E242-R245 HydrophobicContact CG-CB 4.16Å; E242-R245 WeakPolarHBondContact OE1-CD 3.39Å; E242-F282 HydrophobicContact CG-CD2 4Å; E242-F282 HydrophobicContact CG-CE2 3.92Å; E242-F282 WeakPolarHBondContact O-CB 3.25Å; E242-F282 WeakPolarHBondContact O-CD2 3.44Å; E242-F282 VanDerWaalsContact OE1-CE2 3.32Å; E242-F282 WeakPolarHBondContact OE1-CE2 3.35Å; E242-T284 PolarHBondContact O-OG1 3Å
243D95.6Very high90.4Very high11 Ų1148 Ų486%0.05926%0.257CS..SBendtrans-74.9-37.1175.3-62.9-58.8000111G5 I7 F282 T284 I285G5-D243 PolarHBondContact O-N 2.76Å; I7-D243 WeakPolarHBondContact CB-OD2 3.31Å; I7-D243 HydrophobicContact CD1-CB 3.8Å; I7-D243 HydrophobicContact CG1-CB 4.02Å; I7-D243 PolarHBondContact N-OD2 2.99Å; D243-F282 PolarHBondContact O-N 3.09Å; D243-T284 WeakPolarHBondContact CA-OG1 3.22Å; D243-T284 WeakPolarHBondContact OD1-CB 3.48Å; D243-I285 WeakPolarHBondContact OD1-CA 3.14Å; D243-I285 PolarHBondContact OD1-N 3.16Å; D243-I285 VanDerWaalsContact OD1-N 3.13Å
244I97.2Very high90.6Very high2 Ų244.9 Ų44.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-136.9149.9178.167.5168.2000111.7G5 M54 L56 I156 E242 L279 Q280 I281G5-I244 PolarHBondContact N-O 3.5Å; G5-I244 PolarHBondContact O-N 2.78Å; G5-I244 VanDerWaalsContact O-N 3.16Å; M54-I244 HydrophobicContact CE-CG2 3.95Å; M54-I244 HydrophobicContact SD-CD1 4.17Å; M54-I244 HydrophobicContact SD-CG2 3.81Å; L56-I244 HydrophobicContact CD1-CD1 3.78Å; I156-I244 HydrophobicContact CD1-CD1 4.19Å; I156-I244 HydrophobicContact CG2-CD1 3.95Å; I156-I244 HydrophobicContact CG2-CG1 4.32Å; E242-I244 WeakPolarHBondContact CG-O 3.18Å; I244-L279 HydrophobicContact CB-CD1 4.14Å; I244-L279 HydrophobicContact CD1-CD1 4.37Å; I244-Q280 CarbonylContact C-O 3.58Å; I244-Q280 VanDerWaalsContact CA-O 3.29Å; I244-Q280 WeakPolarHBondContact CA-O 3.27Å; I244-I281 HydrophobicContact CG2-CG1 4.12Å; I244-I281 HydrophobicContact CG2-CG2 4.41Å
245R96.6Very high90.7Very high8 Ų842 Ų423%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-132.1114.9173.5179.4176.2179.1-91.73.3109.9L3 D161 E242 Q251 L279 Q280 F282L3-R245 CarbonylContact O-C 3.54Å; L3-R245 WeakPolarHBondContact O-CA 3.29Å; D161-R245 IonicContact OD2-NE 2.7Å; D161-R245 PolarHBondContact OD2-NE 2.86Å; E242-R245 HydrophobicContact CG-CB 4.16Å; E242-R245 WeakPolarHBondContact OE1-CD 3.39Å; R245-Q251 PolarHBondContact NH1-O 3.09Å; R245-L279 CarbonylContact O-C 3.14Å; R245-Q280 HydrophobicContact CB-CB 4.39Å; R245-Q280 PolarHBondContact N-O 2.94Å; R245-Q280 PolarHBondContact O-N 2.92Å; R245-F282 HydrophobicContact CB-CE2 3.81Å
246Y97.3Very high90.7Very high19 Ų1938.2 Ų38.28%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-99.5130.5177.5177.1-87.4000110.2A2 L3 L56 C58 W109 W248 E278A2-Y246 CarbonylContact C-O 3.6Å; A2-Y246 WeakPolarHBondContact CA-O 3.48Å; L3-Y246 HydrophobicContact CD1-CD1 4.4Å; L3-Y246 PolarHBondContact N-O 3.1Å; L3-Y246 PolarHBondContact O-N 2.95Å; L56-Y246 HydrophobicContact CD2-CD2 3.95Å; C58-Y246 HydrophobicContact CB-CE2 3.66Å; W109-Y246 AromaticContact CE3-CD1 3.83Å; W109-Y246 HydrophobicContact CE3-CD1 3.83Å; W109-Y246 AromaticContact CE3-CE1 3.99Å; W109-Y246 HydrophobicContact CE3-CE1 3.99Å; W109-Y246 HydrophobicContact CE3-CG 4.31Å; W109-Y246 HydrophobicContact CH2-CD1 4.25Å; W109-Y246 HydrophobicContact CH2-CD2 4.4Å; W109-Y246 AromaticContact CH2-CG 3.91Å; W109-Y246 HydrophobicContact CH2-CG 3.91Å; W109-Y246 AromaticContact CZ3-CD1 3.27Å; W109-Y246 HydrophobicContact CZ3-CD1 3.27Å; W109-Y246 HydrophobicContact CZ3-CD2 4.11Å; W109-Y246 AromaticContact CZ3-CE1 3.87Å; W109-Y246 HydrophobicContact CZ3-CE1 3.87Å; W109-Y246 AromaticContact CZ3-CG 3.38Å; W109-Y246 HydrophobicContact CZ3-CG 3.38Å; Y246-W248 HydrophobicContact CE1-CB 4.07Å; Y246-E278 CarbonylContact C-O 3.57Å; Y246-E278 WeakPolarHBondContact CA-O 3.29Å; Y246-E278 HydrophobicContact CD2-CG 4.04Å; Y246-E278 WeakPolarHBondContact CD2-O 3.24Å; Y246-E278 HydrophobicContact CE2-CG 3.53Å
247W95.7Very high90.5Very high55 Ų5541.1 Ų41.121%0.20822%0.218CC..  trans-15391.3172.6-166.9-0.7000109.9A2 I164 S249 G250 Q251 F277 E278A2-W247 HydrophobicContact CB-CB 3.84Å; A2-W247 HydrophobicContact CB-CD2 3.68Å; A2-W247 HydrophobicContact CB-CE3 4.06Å; A2-W247 HydrophobicContact CB-CG 3.63Å; I164-W247 HydrophobicContact CD1-CE3 4.36Å; I164-W247 HydrophobicContact CD1-CH2 3.91Å; I164-W247 HydrophobicContact CD1-CZ2 4.3Å; I164-W247 HydrophobicContact CD1-CZ3 3.98Å; I164-W247 HydrophobicContact CG2-CH2 4.41Å; W247-S249 PolarHBondContact O-N 3.1Å; W247-S249 VanDerWaalsContact O-N 3.14Å; W247-G250 VanDerWaalsContact CD2-CA 3.4Å; W247-G250 VanDerWaalsContact CG-CA 3.48Å; W247-G250 PolarHBondContact O-N 3.12Å; W247-Q251 HydrophobicContact CE3-CB 4.33Å; W247-Q251 VanDerWaalsContact CE3-N 3.25Å; W247-Q251 HydrophobicContact CH2-CB 4.39Å; W247-Q251 HydrophobicContact CZ3-CB 3.8Å; W247-Q251 HydrophobicContact CZ3-CG 4.41Å; W247-F277 HydrophobicContact CB-CD1 4.34Å; W247-F277 HydrophobicContact CB-CE1 3.92Å; W247-F277 WeakPolarHBondContact O-CD1 3.33Å; W247-E278 CarbonylContact C-O 3.53Å; W247-E278 PolarHBondContact N-O 3.25Å
248W95Very high90.7Very high61 Ų6139 Ų3923%0.23119%0.193CC..THydrogen-bonded Turntrans-55.8118.8177.3178.5-106000111.8I60 Y246 G250 V276 E278 T317I60-W248 HydrophobicContact CD1-CD2 4.43Å; I60-W248 HydrophobicContact CD1-CE3 4.25Å; I60-W248 HydrophobicContact CD1-CH2 3.48Å; I60-W248 VanDerWaalsContact CD1-CH2 3.48Å; I60-W248 HydrophobicContact CD1-CZ2 3.66Å; I60-W248 HydrophobicContact CD1-CZ3 3.76Å; I60-W248 HydrophobicContact CG1-CD2 4.33Å; I60-W248 HydrophobicContact CG1-CE3 4.35Å; I60-W248 HydrophobicContact CG1-CH2 4.37Å; I60-W248 HydrophobicContact CG1-CZ2 4.32Å; I60-W248 HydrophobicContact CG1-CZ3 4.35Å; Y246-W248 HydrophobicContact CE1-CB 4.07Å; W248-G250 PolarHBondContact O-N 2.97Å; W248-V276 HydrophobicContact CH2-CG2 4.02Å; W248-V276 HydrophobicContact CZ2-CG2 4.11Å; W248-V276 HydrophobicContact CZ3-CG2 4.33Å; W248-E278 HydrophobicContact CE3-CB 4.07Å; W248-E278 VanDerWaalsContact CE3-CD 3.49Å; W248-E278 HydrophobicContact CE3-CG 3.75Å; W248-E278 HydrophobicContact CZ3-CB 4.36Å; W248-E278 HydrophobicContact CZ3-CG 4.21Å; W248-E278 VanDerWaalsContact CZ3-OE2 3.31Å; W248-E278 WeakPolarHBondContact CZ3-OE2 3.41Å; W248-T317 WeakPolarHBondContact CZ3-OG1 3.47Å
249S93.9Very high91Very high7 Ų730.4 Ų30.45%0.04915%0.154CC..THydrogen-bonded Turntrans54.330.3-174.4-166.20000114.6S193 P194 W247 F277 R319S193-S249 PolarHBondContact OG-OG 2.88Å; P194-S249 VanDerWaalsContact CD-O 3.31Å; P194-S249 WeakPolarHBondContact CD-O 3.21Å; W247-S249 PolarHBondContact O-N 3.1Å; W247-S249 VanDerWaalsContact O-N 3.14Å; S249-F277 WeakPolarHBondContact CA-O 3.16Å; S249-F277 PolarHBondContact N-O 3.16Å; S249-R319 PolarHBondContact OG-NH1 3.45Å
250G92.6Very high91.4Very high1 Ų126 Ų261%0.0115%0.152CC..  trans-88-157.9177.500000114.2W247 W248W247-G250 VanDerWaalsContact CD2-CA 3.4Å; W247-G250 VanDerWaalsContact CG-CA 3.48Å; W247-G250 PolarHBondContact O-N 3.12Å; W248-G250 PolarHBondContact O-N 2.97Å
251Q91.4Very high91.6Very high45 Ų4528 Ų2821%0.2116%0.156CC..  trans-104.2126.6174.3-64.6-68.5-15.900111P194 R245 W247 F277P194-Q251 HydrophobicContact CG-CG 4.25Å; R245-Q251 PolarHBondContact NH1-O 3.09Å; W247-Q251 HydrophobicContact CE3-CB 4.33Å; W247-Q251 VanDerWaalsContact CE3-N 3.25Å; W247-Q251 HydrophobicContact CH2-CB 4.39Å; W247-Q251 HydrophobicContact CZ3-CB 3.8Å; W247-Q251 HydrophobicContact CZ3-CG 4.41Å; Q251-F277 WeakPolarHBondContact O-CE1 3.32Å
252P94.5Very high91.5Very high6 Ų626.8 Ų26.84%0.03915%0.147CC..  trans-72.6159.4168.132.2-35.6000111I199 F254 F277 L314 F316I199-P252 HydrophobicContact CD1-CG 4.13Å; I199-P252 HydrophobicContact CG2-CG 4.45Å; P252-F254 HydrophobicContact CB-CD2 4.3Å; P252-F254 HydrophobicContact CB-CE2 3.97Å; P252-F254 HydrophobicContact CG-CD2 3.97Å; P252-F254 HydrophobicContact CG-CE2 3.37Å; P252-F254 HydrophobicContact CG-CZ 4.14Å; P252-F277 HydrophobicContact CB-CD1 4.43Å; P252-F277 HydrophobicContact CB-CD2 3.63Å; P252-F277 HydrophobicContact CB-CE2 3.82Å; P252-F277 HydrophobicContact CB-CG 3.94Å; P252-F277 HydrophobicContact CB-CZ 4.31Å; P252-F277 HydrophobicContact CG-CB 4.48Å; P252-F277 HydrophobicContact CG-CD2 4.4Å; P252-F277 HydrophobicContact CG-CG 4.35Å; P252-L314 HydrophobicContact CB-CD1 4.12Å; P252-L314 HydrophobicContact CB-CD2 3.98Å; P252-F316 HydrophobicContact CB-CZ 4.34Å; P252-F316 HydrophobicContact CG-CZ 4.09Å
253I92.5Very high91.3Very high23 Ų2329.8 Ų29.812%0.11817%0.166CC..  trans-112.999.6173.8-52.3177.7000107.6L229 H232 Q280L229-I253 HydrophobicContact CB-CG2 4.3Å; L229-I253 HydrophobicContact CD1-CG2 4.05Å; H232-I253 HydrophobicContact CB-CD1 3.91Å; H232-I253 HydrophobicContact CB-CG2 4.23Å; H232-I253 WeakPolarHBondContact CE1-CD1 3.44Å; H232-I253 WeakPolarHBondContact ND1-CD1 3.32Å; I253-Q280 PolarHBondContact O-NE2 2.79Å
254F91.8Very high91.1Very high0 Ų034.9 Ų34.90%019%0.193CC..  trans-77.7144.4177.7-71.4-93.1000110.8I199 W203 S226 P252 G256 P258 L262 L314 F316 I336I199-F254 HydrophobicContact CG2-CE2 4.13Å; W203-F254 HydrophobicContact CH2-CB 3.79Å; W203-F254 HydrophobicContact CH2-CD2 4.27Å; W203-F254 HydrophobicContact CH2-CG 4.48Å; W203-F254 HydrophobicContact CZ2-CB 4.24Å; W203-F254 AromaticContact CZ2-CD2 3.87Å; W203-F254 HydrophobicContact CZ2-CD2 3.87Å; W203-F254 HydrophobicContact CZ3-CB 4.34Å; S226-F254 PolarHBondContact OG-O 3.13Å; S226-F254 VanDerWaalsContact OG-O 3.1Å; P252-F254 HydrophobicContact CB-CD2 4.3Å; P252-F254 HydrophobicContact CB-CE2 3.97Å; P252-F254 HydrophobicContact CG-CD2 3.97Å; P252-F254 HydrophobicContact CG-CE2 3.37Å; P252-F254 HydrophobicContact CG-CZ 4.14Å; F254-G256 VanDerWaalsContact CB-O 3.25Å; F254-G256 WeakPolarHBondContact CB-O 3.39Å; F254-G256 PolarHBondContact O-N 2.64Å; F254-P258 HydrophobicContact CD1-CB 4.23Å; F254-P258 HydrophobicContact CD1-CG 4.35Å; F254-P258 HydrophobicContact CD2-CB 4.31Å; F254-P258 HydrophobicContact CD2-CG 3.74Å; F254-P258 HydrophobicContact CE1-CB 3.94Å; F254-P258 HydrophobicContact CE1-CG 4.4Å; F254-P258 HydrophobicContact CE2-CB 4Å; F254-P258 HydrophobicContact CE2-CG 3.77Å; F254-P258 HydrophobicContact CG-CB 4.41Å; F254-P258 HydrophobicContact CG-CG 4.03Å; F254-P258 HydrophobicContact CZ-CB 3.82Å; F254-P258 HydrophobicContact CZ-CG 4.12Å; F254-L262 HydrophobicContact CZ-CD2 4.15Å; F254-L314 HydrophobicContact CD1-CD1 3.52Å; F254-L314 HydrophobicContact CD2-CD1 4.35Å; F254-L314 HydrophobicContact CE1-CD1 3.37Å; F254-L314 HydrophobicContact CE2-CD1 4.24Å; F254-L314 HydrophobicContact CG-CD1 4.02Å; F254-L314 HydrophobicContact CZ-CD1 3.76Å; F254-F316 HydrophobicContact CZ-CZ 4.22Å; F254-I336 HydrophobicContact CE1-CD1 3.75Å; F254-I336 HydrophobicContact CZ-CD1 4.02Å
255N90.9Very high90.9Very high12 Ų1238.5 Ų38.56%0.06421%0.207CC..SBendtrans-82.496159-170.835.5000109.2F225 S226 L229 V311 Q338F225-N255 WeakPolarHBondContact CA-OD1 3.24Å; S226-N255 PolarHBondContact N-OD1 2.92Å; L229-N255 HydrophobicContact CD2-CB 3.78Å; N255-V311 HydrophobicContact CB-CG1 3.89Å; N255-Q338 PolarHBondContact O-NE2 3.09Å
256G85.2Confident90.8Very high25 Ų2538.5 Ų38.526%0.25821%0.208SC..SBendtrans84.9-156.5-174.200000112.2W203 S226 F254W203-G256 VanDerWaalsContact CZ3-O 3.26Å; W203-G256 WeakPolarHBondContact CZ3-O 3.44Å; S226-G256 PolarHBondContact OG-N 2.79Å; F254-G256 VanDerWaalsContact CB-O 3.25Å; F254-G256 WeakPolarHBondContact CB-O 3.39Å; F254-G256 PolarHBondContact O-N 2.64Å
257L81.7Confident90.7Very high78 Ų7840.7 Ų40.741%0.40822%0.224SC..SBendtrans-77.4139.9-173.8-60.6-179.3000112.2W203 V207W203-L257 HydrophobicContact CE3-CD2 4.34Å; V207-L257 HydrophobicContact CB-CD1 4.41Å; V207-L257 HydrophobicContact CB-CD2 4.2Å; V207-L257 HydrophobicContact CG1-CD1 3.71Å; V207-L257 HydrophobicContact CG1-CD2 4.34Å; V207-L257 HydrophobicContact CG2-CD1 3.83Å; V207-L257 HydrophobicContact CG2-CD2 3.21Å; V207-L257 HydrophobicContact CG2-CG 4.07Å
258P85.8Confident90.7Very high15 Ų1538.4 Ų38.410%0.09722%0.216CC..PPolyproline II helixtrans-57138.5168.9-21.730000110.3L200 W203 F254 S260L200-P258 HydrophobicContact CD2-CB 3.66Å; L200-P258 HydrophobicContact CD2-CG 4.47Å; W203-P258 HydrophobicContact CB-CG 4.01Å; W203-P258 HydrophobicContact CD2-CG 3.56Å; W203-P258 HydrophobicContact CE3-CG 3.84Å; W203-P258 HydrophobicContact CG-CG 3.68Å; W203-P258 HydrophobicContact CZ3-CG 4.46Å; F254-P258 HydrophobicContact CD1-CB 4.23Å; F254-P258 HydrophobicContact CD1-CG 4.35Å; F254-P258 HydrophobicContact CD2-CB 4.31Å; F254-P258 HydrophobicContact CD2-CG 3.74Å; F254-P258 HydrophobicContact CE1-CB 3.94Å; F254-P258 HydrophobicContact CE1-CG 4.4Å; F254-P258 HydrophobicContact CE2-CB 4Å; F254-P258 HydrophobicContact CE2-CG 3.77Å; F254-P258 HydrophobicContact CG-CB 4.41Å; F254-P258 HydrophobicContact CG-CG 4.03Å; F254-P258 HydrophobicContact CZ-CB 3.82Å; F254-P258 HydrophobicContact CZ-CG 4.12Å; P258-S260 PolarHBondContact O-N 3.31Å
259P86.9Confident90.7Very high16 Ų1641.5 Ų41.510%0.10423%0.233CC..PPolyproline II helixtrans-62.4125.8177.724-31.3000110.2D261 L262 I336 I344 I346P259-D261 WeakPolarHBondContact CB-OD1 3.45Å; P259-D261 PolarHBondContact O-N 3.44Å; P259-L262 HydrophobicContact CG-CB 4.29Å; P259-L262 WeakPolarHBondContact O-CB 3.35Å; P259-L262 PolarHBondContact O-N 2.8Å; P259-I336 HydrophobicContact CG-CD1 4.33Å; P259-I336 HydrophobicContact CG-CG2 4.29Å; P259-I344 HydrophobicContact CB-CG2 4.01Å; P259-I344 HydrophobicContact CG-CG2 3.75Å; P259-I346 HydrophobicContact CB-CD1 3.92Å; P259-I346 HydrophobicContact CB-CG1 4.4Å; P259-I346 HydrophobicContact CG-CD1 3.72Å; P259-I346 HydrophobicContact CG-CG1 3.86Å
260S85.1Confident90.8Very high104 Ų10446.5 Ų46.573%0.72725%0.251SS*.G310 helixtrans-60.4-30-174.859.70000113.5P258 L262 V263P258-S260 PolarHBondContact O-N 3.31Å; S260-L262 PolarHBondContact O-N 3.14Å; S260-V263 WeakPolarHBondContact O-CG1 3.32Å
261D89.1Confident90.9Very high73 Ų7349.6 Ų49.639%0.3927%0.271SS..G310 helixtrans-72.6-6.717661.6-40.6000113.6P259 V263 N264 Y265 I346P259-D261 WeakPolarHBondContact CB-OD1 3.45Å; P259-D261 PolarHBondContact O-N 3.44Å; D261-V263 PolarHBondContact O-N 2.95Å; D261-N264 VanDerWaalsContact O-CB 3.3Å; D261-N264 WeakPolarHBondContact O-CB 3.14Å; D261-N264 PolarHBondContact O-N 3.18Å; D261-N264 PolarHBondContact O-ND2 2.98Å; D261-Y265 WeakPolarHBondContact O-CD2 3.38Å; D261-I346 WeakPolarHBondContact OD1-CD1 3.29Å
262L88.4Confident91.1Very high1 Ų149.8 Ų49.81%0.00529%0.286CS..G310 helixtrans-57-29.3172.4-175.359.4000112.5I196 L200 F254 P259 S260 N264 Y265 S266 I336 I346I196-L262 HydrophobicContact CG2-CD2 4.21Å; I196-L262 HydrophobicContact CG2-CG 3.92Å; L200-L262 HydrophobicContact CD1-CB 4.29Å; L200-L262 HydrophobicContact CD2-CB 4.41Å; L200-L262 HydrophobicContact CD2-CD2 4.38Å; F254-L262 HydrophobicContact CZ-CD2 4.15Å; P259-L262 HydrophobicContact CG-CB 4.29Å; P259-L262 WeakPolarHBondContact O-CB 3.35Å; P259-L262 PolarHBondContact O-N 2.8Å; S260-L262 PolarHBondContact O-N 3.14Å; L262-N264 PolarHBondContact O-N 3.4Å; L262-Y265 CarbonylContact O-C 3.36Å; L262-Y265 PolarHBondContact O-N 3.42Å; L262-S266 PolarHBondContact O-N 2.77Å; L262-I336 HydrophobicContact CD1-CD1 3.58Å; L262-I336 HydrophobicContact CD1-CG1 4.23Å; L262-I336 HydrophobicContact CD2-CD1 3.66Å; L262-I336 HydrophobicContact CG-CD1 4.21Å; L262-I346 HydrophobicContact CB-CD1 4.1Å; L262-I346 HydrophobicContact CD1-CD1 4.32Å
263V89.7Confident91.2Very high63 Ų6350.8 Ų50.838%0.38229%0.292SS..G310 helixtrans-56.9-32.8176.870.90000112.2L200 S260 D261 Y265 S266L200-V263 HydrophobicContact CD1-CB 3.7Å; L200-V263 HydrophobicContact CD1-CG2 4.37Å; S260-V263 WeakPolarHBondContact O-CG1 3.32Å; D261-V263 PolarHBondContact O-N 2.95Å; V263-Y265 PolarHBondContact O-N 3Å; V263-S266 VanDerWaalsContact O-CB 3.25Å; V263-S266 WeakPolarHBondContact O-CB 3.04Å; V263-S266 PolarHBondContact O-N 3.27Å; V263-S266 PolarHBondContact O-OG 3.48Å
264N92.3Very high91.3Very high119 Ų11951.8 Ų51.864%0.63630%0.297SS*.G310 helixtrans-67.7-19.1179.1-60.3-37000112.2D261 L262D261-N264 VanDerWaalsContact O-CB 3.3Å; D261-N264 WeakPolarHBondContact O-CB 3.14Å; D261-N264 PolarHBondContact O-N 3.18Å; D261-N264 PolarHBondContact O-ND2 2.98Å; L262-N264 PolarHBondContact O-N 3.4Å
265Y93.5Very high91.5Very high77 Ų7752.2 Ų52.230%0.30230%0.298SS..G310 helixtrans-109.113.1179.7-53.2-79.9000112.6D261 L262 V263 T267 R275 I346 C348D261-Y265 WeakPolarHBondContact O-CD2 3.38Å; L262-Y265 CarbonylContact O-C 3.36Å; L262-Y265 PolarHBondContact O-N 3.42Å; V263-Y265 PolarHBondContact O-N 3Å; Y265-T267 PolarHBondContact O-N 3.02Å; Y265-T267 VanDerWaalsContact O-N 3.15Å; Y265-R275 WeakPolarHBondContact O-CD 3.34Å; Y265-R275 PolarHBondContact O-NH1 3.49Å; Y265-I346 HydrophobicContact CD2-CD1 4.23Å; Y265-I346 HydrophobicContact CD2-CG2 3.71Å; Y265-I346 HydrophobicContact CE2-CB 4.45Å; Y265-I346 HydrophobicContact CE2-CD1 4.26Å; Y265-I346 HydrophobicContact CE2-CG2 3.85Å; Y265-I346 HydrophobicContact CG-CG2 4.16Å; Y265-C348 HydrophobicContact CD1-CB 3.59Å; Y265-C348 HydrophobicContact CE1-CB 4.08Å; Y265-C348 HydrophobicContact CG-CB 4.15Å
266S93.1Very high91.8Very high8 Ų851.7 Ų51.76%0.05630%0.295CS..SBendtrans-63.3-17.9-178.157.80000114.8L262 V263 R275L262-S266 PolarHBondContact O-N 2.77Å; V263-S266 VanDerWaalsContact O-CB 3.25Å; V263-S266 WeakPolarHBondContact O-CB 3.04Å; V263-S266 PolarHBondContact O-N 3.27Å; V263-S266 PolarHBondContact O-OG 3.48Å; S266-R275 PolarHBondContact O-N 3.5Å
267T95.4Very high92.3Very high65 Ų6550.5 Ų50.540%0.39928%0.283SS..BIsolated β-bridgetrans-124.7138.9-17857.90000112Y265 H269 S273 R275Y265-T267 PolarHBondContact O-N 3.02Å; Y265-T267 VanDerWaalsContact O-N 3.15Å; T267-H269 PolarHBondContact O-N 2.79Å; T267-S273 CarbonylContact C-O 3.56Å; T267-R275 PolarHBondContact O-NH1 3.13Å
268C96.1Very high93Very high7 Ų746.8 Ų46.85%0.04726%0.264CS..  trans-58.8118.8174.9179.50000110R270 C271 G272 S273 C318 C322C268-R270 PolarHBondContact O-N 3.16Å; C268-R270 VanDerWaalsContact O-N 3.1Å; C268-C271 PolarHBondContact O-N 3.22Å; C268-G272 VanDerWaalsContact O-CA 3.31Å; C268-G272 WeakPolarHBondContact O-CA 3.3Å; C268-G272 PolarHBondContact O-N 2.81Å; C268-S273 WeakPolarHBondContact CB-O 3.18Å; C268-S273 PolarHBondContact N-O 2.86Å; C268-C318 HydrophobicContact CB-CB 3.99Å; C268-C322 VanDerWaalsContact SG-SG 3.63Å
269H94.2Very high93.6Very high126 Ų12646 Ų4658%0.58326%0.259SS*.THydrogen-bonded Turntrans-55.6-31.1177.9175.895.7000112.8T267 S350T267-H269 PolarHBondContact O-N 2.79Å; H269-S350 PolarHBondContact CE1-OXT 3.47Å; H269-S350 PolarHBondContact ND1-O 3.14Å; H269-S350 PolarHBondContact ND1-OXT 3Å
270R95.6Very high94.2Very high113 Ų11345.3 Ų45.343%0.42625%0.254SS..THydrogen-bonded Turntrans-76.9-41.1-174.4-60.3-174.166.8-116.27.4114.1C268 C322 D328 I331C268-R270 PolarHBondContact O-N 3.16Å; C268-R270 VanDerWaalsContact O-N 3.1Å; R270-C322 PolarHBondContact NH1-O 2.73Å; R270-C322 PolarHBondContact NH1-SG 2.86Å; R270-D328 IonicContact CZ-OD1 3.71Å; R270-D328 IonicContact CZ-OD2 3.1Å; R270-D328 IonicContact NH1-OD2 2.61Å; R270-D328 PolarHBondContact NH1-OD2 3.37Å; R270-D328 IonicContact NH2-OD1 3.61Å; R270-D328 PolarHBondContact NH2-OD1 3.46Å; R270-D328 IonicContact NH2-OD2 3.23Å; R270-D328 PolarHBondContact NH2-OD2 3.31Å; R270-I331 VanDerWaalsContact NH1-CD1 3.31Å
271C96Very high94.8Very high65 Ų6540.3 Ų40.344%0.43922%0.219SC..THydrogen-bonded Turntrans-127.6-4.3-170.969.70000114.3C268 S273 C318 C322C268-C271 PolarHBondContact O-N 3.22Å; C271-S273 PolarHBondContact O-N 3.41Å; C271-S273 VanDerWaalsContact O-N 3.15Å; C271-S273 WeakPolarHBondContact SG-CB 3.09Å; C271-C318 PolarHBondContact SG-SG 2.77Å; C271-C322 HydrophobicContact CB-CB 3.9Å
272G95.6Very high95.1Very high50 Ų5037 Ų3752%0.51520%0.202SC..  trans74.2-9.1-17700000115.1C268C268-G272 VanDerWaalsContact O-CA 3.31Å; C268-G272 WeakPolarHBondContact O-CA 3.3Å; C268-G272 PolarHBondContact O-N 2.81Å
273S95.6Very high95.4Very high26 Ų2638.5 Ų38.518%0.18221%0.212CC..PPolyproline II helixtrans-61.6151.7174-1700000110.9T267 C268 C271 S320T267-S273 CarbonylContact C-O 3.56Å; C268-S273 WeakPolarHBondContact CB-O 3.18Å; C268-S273 PolarHBondContact N-O 2.86Å; C271-S273 PolarHBondContact O-N 3.41Å; C271-S273 VanDerWaalsContact O-N 3.15Å; C271-S273 WeakPolarHBondContact SG-CB 3.09Å; S273-S320 VanDerWaalsContact CB-OG 3.26Å; S273-S320 WeakPolarHBondContact CB-OG 3.23Å; S273-S320 PolarHBondContact OG-N 3.41Å; S273-S320 PolarHBondContact OG-OG 3.23Å
274E95.8Very high95.6Very high45 Ų4536.7 Ų36.721%0.2120%0.201CC..BIsolated β-bridgetrans-59.8147.8178.8173.8161.4-13300112.8S195 I196 V276 R319S195-E274 VanDerWaalsContact C-OE1 3.28Å; S195-E274 VanDerWaalsContact CA-CD 3.41Å; S195-E274 WeakPolarHBondContact CA-OE1 3.46Å; S195-E274 WeakPolarHBondContact CB-OE1 3.45Å; S195-E274 VanDerWaalsContact CB-OE2 3.23Å; S195-E274 WeakPolarHBondContact CB-OE2 3.33Å; S195-E274 PolarHBondContact OG-OE1 3.28Å; I196-E274 PolarHBondContact N-OE1 2.8Å; E274-V276 HydrophobicContact CG-CG1 4.26Å; E274-R319 WeakPolarHBondContact O-CB 3.49Å; E274-R319 PolarHBondContact O-N 3.19Å
275R96Very high95.7Very high9 Ų931 Ų313%0.03417%0.171CC..EExtended strand (participates in β ladder)trans-88.3136.2162.7-69-164.7-179.990.21.8110.8I196 Y265 S266 T267 F316 T317I196-R275 HydrophobicContact CD1-CB 3.75Å; I196-R275 WeakPolarHBondContact CD1-O 3.26Å; I196-R275 WeakPolarHBondContact CG1-O 3.34Å; Y265-R275 WeakPolarHBondContact O-CD 3.34Å; Y265-R275 PolarHBondContact O-NH1 3.49Å; S266-R275 PolarHBondContact O-N 3.5Å; T267-R275 PolarHBondContact O-NH1 3.13Å; R275-F316 HydrophobicContact CB-CB 4.39Å; R275-T317 CarbonylContact C-O 3.57Å; R275-T317 VanDerWaalsContact CA-O 3.24Å; R275-T317 WeakPolarHBondContact CA-O 3.38Å
276V95.9Very high95.7Very high0 Ų027.8 Ų27.80%016%0.159CC..EExtended strand (participates in β ladder)trans-123.3151.7-179.1-660000110.2W248 E274 F316 T317 R319W248-V276 HydrophobicContact CH2-CG2 4.02Å; W248-V276 HydrophobicContact CZ2-CG2 4.11Å; W248-V276 HydrophobicContact CZ3-CG2 4.33Å; E274-V276 HydrophobicContact CG-CG1 4.26Å; V276-F316 CarbonylContact O-C 3.53Å; V276-F316 WeakPolarHBondContact O-CA 3.18Å; V276-T317 PolarHBondContact N-O 2.85Å; V276-T317 PolarHBondContact O-N 2.86Å; V276-R319 HydrophobicContact CG1-CB 3.87Å; V276-R319 HydrophobicContact CG1-CG 3.99Å; V276-R319 HydrophobicContact CG2-CB 4.24Å
277F96.4Very high95.6Very high0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-62.5144.7172.1172.9-111.1000110.4W247 S249 Q251 P252 L279 Q280 L314 F316W247-F277 HydrophobicContact CB-CD1 4.34Å; W247-F277 HydrophobicContact CB-CE1 3.92Å; W247-F277 WeakPolarHBondContact O-CD1 3.33Å; S249-F277 WeakPolarHBondContact CA-O 3.16Å; S249-F277 PolarHBondContact N-O 3.16Å; Q251-F277 WeakPolarHBondContact O-CE1 3.32Å; P252-F277 HydrophobicContact CB-CD1 4.43Å; P252-F277 HydrophobicContact CB-CD2 3.63Å; P252-F277 HydrophobicContact CB-CE2 3.82Å; P252-F277 HydrophobicContact CB-CG 3.94Å; P252-F277 HydrophobicContact CB-CZ 4.31Å; P252-F277 HydrophobicContact CG-CB 4.48Å; P252-F277 HydrophobicContact CG-CD2 4.4Å; P252-F277 HydrophobicContact CG-CG 4.35Å; F277-L279 VanDerWaalsContact CE2-C 3.42Å; F277-L279 VanDerWaalsContact CE2-O 3.22Å; F277-L279 WeakPolarHBondContact CE2-O 3.5Å; F277-Q280 HydrophobicContact CE2-CB 3.89Å; F277-Q280 HydrophobicContact CZ-CB 3.64Å; F277-L314 HydrophobicContact CE2-CD2 4.13Å; F277-F316 HydrophobicContact CB-CD1 4.1Å; F277-F316 HydrophobicContact CB-CE1 3.8Å; F277-F316 HydrophobicContact CB-CZ 4.42Å; F277-F316 HydrophobicContact CD2-CZ 4.39Å
278E97.5Very high95.3Very high0 Ų030.5 Ų30.50%017%0.172CC..EExtended strand (participates in β ladder)trans-138.5-45.1178.7177.8171.3-172.600113.8R67 L69 Y246 W247 W248 I315 T317R67-E278 IonicContact CZ-OE1 3.4Å; R67-E278 VanDerWaalsContact CZ-OE1 3.23Å; R67-E278 IonicContact CZ-OE2 3.62Å; R67-E278 IonicContact NH1-OE1 2.79Å; R67-E278 PolarHBondContact NH1-OE1 2.93Å; R67-E278 IonicContact NH1-OE2 3.66Å; R67-E278 VanDerWaalsContact NH2-CD 3.29Å; R67-E278 IonicContact NH2-OE1 2.87Å; R67-E278 PolarHBondContact NH2-OE1 2.94Å; R67-E278 VanDerWaalsContact NH2-OE1 3.1Å; R67-E278 IonicContact NH2-OE2 3.6Å; R67-E278 PolarHBondContact NH2-OE2 2.8Å; L69-E278 HydrophobicContact CD1-CG 4.37Å; Y246-E278 CarbonylContact C-O 3.57Å; Y246-E278 WeakPolarHBondContact CA-O 3.29Å; Y246-E278 HydrophobicContact CD2-CG 4.04Å; Y246-E278 WeakPolarHBondContact CD2-O 3.24Å; Y246-E278 HydrophobicContact CE2-CG 3.53Å; W247-E278 CarbonylContact C-O 3.53Å; W247-E278 PolarHBondContact N-O 3.25Å; W248-E278 HydrophobicContact CE3-CB 4.07Å; W248-E278 VanDerWaalsContact CE3-CD 3.49Å; W248-E278 HydrophobicContact CE3-CG 3.75Å; W248-E278 HydrophobicContact CZ3-CB 4.36Å; W248-E278 HydrophobicContact CZ3-CG 4.21Å; W248-E278 VanDerWaalsContact CZ3-OE2 3.31Å; W248-E278 WeakPolarHBondContact CZ3-OE2 3.41Å; E278-I315 PolarHBondContact N-O 2.95Å; E278-T317 HydrophobicContact CB-CG2 4.42Å; E278-T317 VanDerWaalsContact OE2-CB 3.29Å; E278-T317 WeakPolarHBondContact OE2-CB 3.41Å; E278-T317 WeakPolarHBondContact OE2-CG2 3.25Å; E278-T317 PolarHBondContact OE2-OG1 2.82Å
279L98.4Very high95Very high0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans-140.6139.8-173.1178.470.3000110.4M54 L56 I244 R245 F277 I281 I315M54-L279 HydrophobicContact CE-CD2 3.88Å; L56-L279 HydrophobicContact CD2-CD1 3.74Å; L56-L279 HydrophobicContact CD2-CD2 3.76Å; L56-L279 HydrophobicContact CD2-CG 4.26Å; I244-L279 HydrophobicContact CB-CD1 4.14Å; I244-L279 HydrophobicContact CD1-CD1 4.37Å; R245-L279 CarbonylContact O-C 3.14Å; F277-L279 VanDerWaalsContact CE2-C 3.42Å; F277-L279 VanDerWaalsContact CE2-O 3.22Å; F277-L279 WeakPolarHBondContact CE2-O 3.5Å; L279-I281 HydrophobicContact CD2-CG1 4.36Å; L279-I281 HydrophobicContact CG-CG1 4.44Å; L279-I315 HydrophobicContact CB-CB 4.16Å; L279-I315 HydrophobicContact CB-CD1 4.08Å; L279-I315 HydrophobicContact CB-CG1 4.46Å; L279-I315 HydrophobicContact CD2-CD1 3.98Å; L279-I315 HydrophobicContact CG-CD1 4.02Å; L279-I315 WeakPolarHBondContact O-CD1 3.33Å; L279-I315 PolarHBondContact O-N 2.82Å
280Q98.1Very high94.6Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-122.6134.7170175.6159.511.100109.2I244 R245 I253 F277 F282 T312 V313 L314I244-Q280 CarbonylContact C-O 3.58Å; I244-Q280 VanDerWaalsContact CA-O 3.29Å; I244-Q280 WeakPolarHBondContact CA-O 3.27Å; R245-Q280 HydrophobicContact CB-CB 4.39Å; R245-Q280 PolarHBondContact N-O 2.94Å; R245-Q280 PolarHBondContact O-N 2.92Å; I253-Q280 PolarHBondContact O-NE2 2.79Å; F277-Q280 HydrophobicContact CE2-CB 3.89Å; F277-Q280 HydrophobicContact CZ-CB 3.64Å; Q280-F282 HydrophobicContact CG-CD2 4.4Å; Q280-F282 HydrophobicContact CG-CE1 4.13Å; Q280-F282 HydrophobicContact CG-CE2 3.9Å; Q280-F282 HydrophobicContact CG-CZ 3.75Å; Q280-T312 VanDerWaalsContact CG-OG1 3.22Å; Q280-T312 WeakPolarHBondContact CG-OG1 3.38Å; Q280-T312 PolarHBondContact NE2-OG1 2.81Å; Q280-V313 CarbonylContact C-O 3.41Å; Q280-V313 WeakPolarHBondContact CA-O 3.11Å; Q280-L314 HydrophobicContact CB-CD2 3.88Å; Q280-L314 HydrophobicContact CG-CD2 3.59Å
281I98.3Very high94.1Very high0 Ų025 Ų250%015%0.151CC..EExtended strand (participates in β ladder)trans-112.3131.9174.1-55.4173.9000107.3M54 I71 W86 I244 L279 I285 T312 V313 I315M54-I281 HydrophobicContact CE-CD1 3.69Å; M54-I281 HydrophobicContact CE-CG1 4.06Å; I71-I281 HydrophobicContact CG1-CD1 4.44Å; I71-I281 HydrophobicContact CG2-CD1 4.14Å; W86-I281 HydrophobicContact CZ3-CD1 4.31Å; I244-I281 HydrophobicContact CG2-CG1 4.12Å; I244-I281 HydrophobicContact CG2-CG2 4.41Å; L279-I281 HydrophobicContact CD2-CG1 4.36Å; L279-I281 HydrophobicContact CG-CG1 4.44Å; I281-I285 HydrophobicContact CG2-CB 4.27Å; I281-I285 HydrophobicContact CG2-CD1 3.7Å; I281-I285 HydrophobicContact CG2-CG2 4.11Å; I281-T312 CarbonylContact O-C 3.52Å; I281-T312 WeakPolarHBondContact O-CA 3.47Å; I281-T312 WeakPolarHBondContact O-CB 3.28Å; I281-T312 PolarHBondContact O-OG1 3.22Å; I281-V313 HydrophobicContact CB-CB 4.25Å; I281-V313 PolarHBondContact N-O 2.75Å; I281-V313 PolarHBondContact O-N 2.9Å; I281-I315 HydrophobicContact CD1-CD1 4.19Å; I281-I315 HydrophobicContact CG1-CD1 4.21Å
282F96.4Very high93.2Very high4 Ų423.3 Ų23.32%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-101.2162.9178.4-67.2-80.6000111.5L229 H232 E242 D243 R245 Q280 T284 I285L229-F282 HydrophobicContact CD1-CD1 4.5Å; L229-F282 HydrophobicContact CD1-CE1 3.93Å; H232-F282 AromaticContact CD2-CZ 3.9Å; H232-F282 AromaticContact NE2-CZ 3.7Å; E242-F282 HydrophobicContact CG-CD2 4Å; E242-F282 HydrophobicContact CG-CE2 3.92Å; E242-F282 WeakPolarHBondContact O-CB 3.25Å; E242-F282 WeakPolarHBondContact O-CD2 3.44Å; E242-F282 VanDerWaalsContact OE1-CE2 3.32Å; E242-F282 WeakPolarHBondContact OE1-CE2 3.35Å; D243-F282 PolarHBondContact O-N 3.09Å; R245-F282 HydrophobicContact CB-CE2 3.81Å; Q280-F282 HydrophobicContact CG-CD2 4.4Å; Q280-F282 HydrophobicContact CG-CE1 4.13Å; Q280-F282 HydrophobicContact CG-CE2 3.9Å; Q280-F282 HydrophobicContact CG-CZ 3.75Å; F282-T284 WeakPolarHBondContact CB-OG1 3.47Å; F282-T284 PolarHBondContact O-N 3.26Å; F282-I285 WeakPolarHBondContact O-CB 3.46Å; F282-I285 WeakPolarHBondContact O-CG2 3.26Å; F282-I285 PolarHBondContact O-N 3.2Å
283S94.7Very high91.7Very high32 Ų3225.4 Ų25.422%0.22414%0.142CC..G310 helixtrans-63.5-19.4179.665.80000114I285 N286 W306 I310 V311S283-I285 PolarHBondContact O-N 3.2Å; S283-N286 WeakPolarHBondContact O-CB 3.35Å; S283-N286 PolarHBondContact O-N 2.86Å; S283-N286 VanDerWaalsContact O-N 3.1Å; S283-N286 PolarHBondContact O-ND2 2.89Å; S283-N286 VanDerWaalsContact O-ND2 3.15Å; S283-W306 WeakPolarHBondContact O-CH2 3.48Å; S283-I310 WeakPolarHBondContact CB-O 3.32Å; S283-V311 PolarHBondContact N-O 3.46Å
284T93.7Very high89.9Confident25 Ų2531 Ų3115%0.15317%0.169CC..G310 helixtrans-55-26.3174.137.80000112.9C241 E242 D243 F282 N286 N287C241-T284 HydrophobicContact CB-CG2 4Å; E242-T284 PolarHBondContact O-OG1 3Å; D243-T284 WeakPolarHBondContact CA-OG1 3.22Å; D243-T284 WeakPolarHBondContact OD1-CB 3.48Å; F282-T284 WeakPolarHBondContact CB-OG1 3.47Å; F282-T284 PolarHBondContact O-N 3.26Å; T284-N286 PolarHBondContact O-N 3.42Å; T284-N287 VanDerWaalsContact O-CB 3.23Å; T284-N287 WeakPolarHBondContact O-CB 3.42Å; T284-N287 VanDerWaalsContact O-CG 3.28Å; T284-N287 PolarHBondContact O-N 3.27Å; T284-N287 PolarHBondContact O-ND2 2.89Å
285I94.6Very high88.1Confident0 Ų032.6 Ų32.60%018%0.179CC..G310 helixtrans-53.7-27.2174.1-163.8164.4000113.3I7 F23 I53 D243 I281 F282 S283 N287 S288 L289 L308 I310I7-I285 HydrophobicContact CD1-CD1 4.16Å; I7-I285 HydrophobicContact CD1-CG1 3.64Å; F23-I285 HydrophobicContact CD2-CD1 3.89Å; F23-I285 HydrophobicContact CD2-CG1 4.02Å; F23-I285 HydrophobicContact CE2-CD1 3.65Å; F23-I285 HydrophobicContact CE2-CG1 3.5Å; F23-I285 VanDerWaalsContact CE2-CG1 3.5Å; F23-I285 HydrophobicContact CZ-CG1 4.35Å; I53-I285 HydrophobicContact CD1-CD1 4.2Å; D243-I285 WeakPolarHBondContact OD1-CA 3.14Å; D243-I285 PolarHBondContact OD1-N 3.16Å; D243-I285 VanDerWaalsContact OD1-N 3.13Å; I281-I285 HydrophobicContact CG2-CB 4.27Å; I281-I285 HydrophobicContact CG2-CD1 3.7Å; I281-I285 HydrophobicContact CG2-CG2 4.11Å; F282-I285 WeakPolarHBondContact O-CB 3.46Å; F282-I285 WeakPolarHBondContact O-CG2 3.26Å; F282-I285 PolarHBondContact O-N 3.2Å; S283-I285 PolarHBondContact O-N 3.2Å; I285-N287 PolarHBondContact O-N 2.91Å; I285-S288 PolarHBondContact O-N 3.49Å; I285-S288 VanDerWaalsContact O-N 3.11Å; I285-L289 PolarHBondContact O-N 2.71Å; I285-L308 HydrophobicContact CG2-CD1 4.04Å; I285-I310 HydrophobicContact CG2-CD1 4.38Å
286N92.8Very high86.1Confident9 Ų937.3 Ų37.35%0.04821%0.205CC..G310 helixtrans-59-27.8174.9-81.4-62.6000113.4S283 T284 S288 L289 W306 L307 L308S283-N286 WeakPolarHBondContact O-CB 3.35Å; S283-N286 PolarHBondContact O-N 2.86Å; S283-N286 VanDerWaalsContact O-N 3.1Å; S283-N286 PolarHBondContact O-ND2 2.89Å; S283-N286 VanDerWaalsContact O-ND2 3.15Å; T284-N286 PolarHBondContact O-N 3.42Å; N286-S288 PolarHBondContact O-N 2.76Å; N286-L289 PolarHBondContact O-N 2.8Å; N286-W306 HydrophobicContact CB-CD2 3.78Å; N286-W306 HydrophobicContact CB-CE3 3.5Å; N286-W306 HydrophobicContact CB-CH2 3.86Å; N286-W306 HydrophobicContact CB-CZ2 4.11Å; N286-W306 HydrophobicContact CB-CZ3 3.54Å; N286-W306 VanDerWaalsContact ND2-CZ2 3.34Å; N286-W306 WeakPolarHBondContact ND2-CZ2 3.44Å; N286-W306 PolarHBondContact ND2-NE1 3.01Å; N286-L307 PolarHBondContact OD1-N 2.94Å; N286-L307 VanDerWaalsContact OD1-N 3.15Å; N286-L308 PolarHBondContact ND2-O 3.4Å; N286-L308 WeakPolarHBondContact OD1-CB 3.31Å; N286-L308 PolarHBondContact OD1-N 3.09Å
287N91.3Very high84.2Confident110 Ų11044.9 Ų44.959%0.58825%0.245SC*.G310 helixtrans-64.8-26.7178.4-62.1-31.3000112.2T284 I285T284-N287 VanDerWaalsContact O-CB 3.23Å; T284-N287 WeakPolarHBondContact O-CB 3.42Å; T284-N287 VanDerWaalsContact O-CG 3.28Å; T284-N287 PolarHBondContact O-N 3.27Å; T284-N287 PolarHBondContact O-ND2 2.89Å; I285-N287 PolarHBondContact O-N 2.91Å
288S89.2Confident82.5Confident19 Ų1950.3 Ų50.313%0.13327%0.27CS..THydrogen-bonded Turntrans-102.5-12.1-177.8-62.40000113F23 I285 N286 K290F23-S288 WeakPolarHBondContact CE1-O 3.26Å; I285-S288 PolarHBondContact O-N 3.49Å; I285-S288 VanDerWaalsContact O-N 3.11Å; N286-S288 PolarHBondContact O-N 2.76Å; S288-K290 PolarHBondContact O-N 3.12Å
289L88.5Confident80.9Confident7 Ų752.8 Ų52.84%0.03728%0.284CS..  trans-70.688179.1-87.7170.9000112.9F23 I53 F151 I285 N286 L307 L308F23-L289 HydrophobicContact CE1-CD2 4.41Å; F23-L289 HydrophobicContact CE2-CD2 3.97Å; F23-L289 HydrophobicContact CE2-CG 4.11Å; F23-L289 HydrophobicContact CZ-CB 4.29Å; F23-L289 HydrophobicContact CZ-CD2 3.39Å; F23-L289 HydrophobicContact CZ-CG 3.55Å; I53-L289 HydrophobicContact CD1-CD1 4.02Å; I53-L289 HydrophobicContact CD1-CD2 3.62Å; I53-L289 HydrophobicContact CD1-CG 4.21Å; I53-L289 HydrophobicContact CG1-CD2 3.96Å; F151-L289 HydrophobicContact CD1-CD2 3.71Å; F151-L289 HydrophobicContact CD2-CD2 4.12Å; F151-L289 HydrophobicContact CE1-CD2 3.71Å; F151-L289 HydrophobicContact CE2-CD2 4.12Å; F151-L289 HydrophobicContact CG-CD2 3.93Å; F151-L289 HydrophobicContact CZ-CD2 3.92Å; I285-L289 PolarHBondContact O-N 2.71Å; N286-L289 PolarHBondContact O-N 2.8Å; L289-L307 HydrophobicContact CB-CD1 4.15Å; L289-L307 HydrophobicContact CD1-CB 4.33Å; L289-L308 HydrophobicContact CD1-CB 4.42Å; L289-L308 HydrophobicContact CD1-CD1 3.32Å; L289-L308 HydrophobicContact CD1-CD2 4.43Å; L289-L308 HydrophobicContact CD1-CG 3.42Å; L289-L308 VanDerWaalsContact CD1-CG 3.42Å
290K87.2Confident79.1Confident104 Ų10461.1 Ų61.145%0.45233%0.328SS..  trans-112.7121.6176.4-61.9178.1-167.8164.80110.5F151 Q152 S288 S292F151-K290 CarbonylContact C-O 3.14Å; F151-K290 WeakPolarHBondContact CA-O 3.43Å; Q152-K290 HydrophobicContact CB-CB 4.4Å; Q152-K290 HydrophobicContact CG-CB 4.19Å; Q152-K290 PolarHBondContact N-O 3.46Å; S288-K290 PolarHBondContact O-N 3.12Å; K290-S292 PolarHBondContact O-N 3.49Å
291V85Confident77.6Confident21 Ų2164.9 Ų64.913%0.12737%0.366CS..BIsolated β-bridgetrans-66134.7174.2-177.70000109.7F151 T293 L299 L307F151-V291 HydrophobicContact CD1-CG2 4.4Å; F151-V291 HydrophobicContact CE1-CG2 4.19Å; V291-T293 PolarHBondContact O-N 3.3Å; V291-L299 HydrophobicContact CG1-CD1 4.01Å; V291-L307 HydrophobicContact CG2-CD1 4.06Å
292S76.5Confident76.4Confident28 Ų2866.3 Ų66.320%0.19637%0.374CS..  trans-71.2117.7169.8-174.50000109.2R150 K290 L294 L295R150-S292 VanDerWaalsContact O-CB 3.31Å; R150-S292 WeakPolarHBondContact O-CB 3.34Å; R150-S292 PolarHBondContact O-N 2.96Å; K290-S292 PolarHBondContact O-N 3.49Å; S292-L294 PolarHBondContact O-N 3.3Å; S292-L295 PolarHBondContact O-N 3.34Å; S292-L295 VanDerWaalsContact O-N 3.12Å
293T64.5Low75.3Confident95 Ų9570.6 Ų70.658%0.58340%0.397SS*.THydrogen-bonded Turntrans-58.6-4-17951.40000115.1V291 L295 N296V291-T293 PolarHBondContact O-N 3.3Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-N296 VanDerWaalsContact O-CG 3.27Å; T293-N296 PolarHBondContact O-ND2 3.47Å; T293-N296 VanDerWaalsContact O-ND2 3.07Å; T293-N296 PolarHBondContact O-OD1 3.16Å; T293-N296 VanDerWaalsContact O-OD1 3.07Å
294L57Low74.3Confident142 Ų14273 Ų7374%0.74341%0.41SS*.THydrogen-bonded Turntrans-78.1-16.2175.7-62.7175.8000113.1S292S292-L294 PolarHBondContact O-N 3.3Å
295L59.1Low73.4Confident80 Ų8076.7 Ų76.742%0.41944%0.437SS..  trans-119.762.6-173.9-63.3163.7000109.9R150 S292 T293 D297R150-L295 HydrophobicContact CB-CD1 3.79Å; S292-L295 PolarHBondContact O-N 3.34Å; S292-L295 VanDerWaalsContact O-N 3.12Å; T293-L295 VanDerWaalsContact C-N 3.32Å; L295-D297 VanDerWaalsContact C-N 3.27Å; L295-D297 PolarHBondContact O-N 3.03Å
296N52.9Low72.9Confident108 Ų10880.8 Ų80.858%0.57845%0.453SS*.G310 helixtrans-77-1.6-172.7-73.9-26.3000115T293 E298T293-N296 VanDerWaalsContact O-CG 3.27Å; T293-N296 PolarHBondContact O-ND2 3.47Å; T293-N296 VanDerWaalsContact O-ND2 3.07Å; T293-N296 PolarHBondContact O-OD1 3.16Å; T293-N296 VanDerWaalsContact O-OD1 3.07Å; N296-E298 PolarHBondContact O-N 3.48Å
297D56.9Low72.7Confident158 Ų15880.6 Ų80.685%0.84545%0.452SS*.G310 helixtrans-80.7-10.2-160.2-70-15.5000115.6L295L295-D297 VanDerWaalsContact C-N 3.27Å; L295-D297 PolarHBondContact O-N 3.03Å
298E60.8Low72.8Confident114 Ų11475.4 Ų75.453%0.53342%0.424SS..G310 helixtrans-146.356.6179.5-64.4-163.9158.100113K48 N296K48-E298 VanDerWaalsContact NZ-CD 3.27Å; K48-E298 IonicContact NZ-OE1 3.93Å; K48-E298 PolarHBondContact NZ-OE1 3.36Å; K48-E298 IonicContact NZ-OE2 3.89Å; K48-E298 PolarHBondContact NZ-OE2 2.83Å; N296-E298 PolarHBondContact O-N 3.48Å
299L62.3Low73.1Confident53 Ų5376.2 Ų76.228%0.27743%0.427SS..  trans-98.8-4173.9-102.276.7000115V291 G301 L302 V304V291-L299 HydrophobicContact CG1-CD1 4.01Å; L299-G301 PolarHBondContact O-N 2.97Å; L299-L302 HydrophobicContact CG-CD1 4.24Å; L299-L302 PolarHBondContact O-N 3.23Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L299-V304 HydrophobicContact CD2-CG1 3.64Å
300D61.1Low73.4Confident175 Ų17576.1 Ų76.194%0.93643%0.426SS*.THydrogen-bonded Turntrans-64.7124.4-173.3-155.310.9000111.3
301G66.7Low73.7Confident78 Ų7871.7 Ų71.780%0.80441%0.408SS*.THydrogen-bonded Turntrans78.93.1-17700000116.9L299L299-G301 PolarHBondContact O-N 2.97Å
302L72.7Confident74.2Confident31 Ų3170.7 Ų70.716%0.16240%0.402CS..  trans-80.2136.6174.6-67.9179.6000111.8I75 L299 V304 L307I75-L302 HydrophobicContact CD1-CD1 3.64Å; I75-L302 HydrophobicContact CG1-CD1 4.07Å; I75-L302 HydrophobicContact CG1-CD2 4.22Å; I75-L302 VanDerWaalsContact O-CD2 3.25Å; I75-L302 WeakPolarHBondContact O-CD2 3.19Å; L299-L302 HydrophobicContact CG-CD1 4.24Å; L299-L302 PolarHBondContact O-N 3.23Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L302-V304 PolarHBondContact O-N 2.87Å; L302-L307 HydrophobicContact CB-CD2 4.34Å
303N73.5Confident75.3Confident93 Ų9369.4 Ų69.450%0.49739%0.393SS..  trans-77.487.9167.3-176.50.8000109.3S305 W306 L307N303-S305 PolarHBondContact O-N 3.26Å; N303-S305 PolarHBondContact OD1-N 2.92Å; N303-W306 CarbonylContact O-C 3.58Å; N303-W306 PolarHBondContact O-N 3.4Å; N303-W306 VanDerWaalsContact O-N 3.13Å; N303-W306 VanDerWaalsContact O-O 3.05Å; N303-W306 PolarHBondContact OD1-N 3.11Å; N303-L307 WeakPolarHBondContact O-CD2 3.11Å; N303-L307 PolarHBondContact O-N 3.19Å
304V73.8Confident76.9Confident83 Ų8364.9 Ų64.950%0.50337%0.365SS..THydrogen-bonded Turntrans-61.8-21.4-179.3-98.70000114.2L299 L302L299-V304 HydrophobicContact CD2-CG1 3.64Å; L302-V304 PolarHBondContact O-N 2.87Å
305S74.5Confident78.8Confident103 Ų10358.1 Ų58.172%0.7233%0.329SS*.THydrogen-bonded Turntrans-82.1-21.3177.4-56.20000113.1N303N303-S305 PolarHBondContact O-N 3.26Å; N303-S305 PolarHBondContact OD1-N 2.92Å
306W83.9Confident80.7Confident86 Ų8654.3 Ų54.333%0.32631%0.309SS..  trans-152.390.8179.2-163.2-94.3000108.8S283 N286 N303 L308S283-W306 WeakPolarHBondContact O-CH2 3.48Å; N286-W306 HydrophobicContact CB-CD2 3.78Å; N286-W306 HydrophobicContact CB-CE3 3.5Å; N286-W306 HydrophobicContact CB-CH2 3.86Å; N286-W306 HydrophobicContact CB-CZ2 4.11Å; N286-W306 HydrophobicContact CB-CZ3 3.54Å; N286-W306 VanDerWaalsContact ND2-CZ2 3.34Å; N286-W306 WeakPolarHBondContact ND2-CZ2 3.44Å; N286-W306 PolarHBondContact ND2-NE1 3.01Å; N303-W306 CarbonylContact O-C 3.58Å; N303-W306 PolarHBondContact O-N 3.4Å; N303-W306 VanDerWaalsContact O-N 3.13Å; N303-W306 VanDerWaalsContact O-O 3.05Å; N303-W306 PolarHBondContact OD1-N 3.11Å; W306-L308 PolarHBondContact NE1-O 3.29Å
307L89.7Confident82.8Confident5 Ų549.1 Ų49.13%0.02628%0.282CS..  trans-82.8-25.8-167.6-77.6169.5000113Q80 F151 N286 L289 V291 L302 N303Q80-L307 PolarHBondContact NE2-O 3.32Å; Q80-L307 PolarHBondContact OE1-O 3.21Å; F151-L307 HydrophobicContact CE1-CD1 4.06Å; N286-L307 PolarHBondContact OD1-N 2.94Å; N286-L307 VanDerWaalsContact OD1-N 3.15Å; L289-L307 HydrophobicContact CB-CD1 4.15Å; L289-L307 HydrophobicContact CD1-CB 4.33Å; V291-L307 HydrophobicContact CG2-CD1 4.06Å; L302-L307 HydrophobicContact CB-CD2 4.34Å; N303-L307 WeakPolarHBondContact O-CD2 3.11Å; N303-L307 PolarHBondContact O-N 3.19Å
308L94.2Very high84.6Confident0 Ų041.7 Ų41.70%024%0.242CC..  trans-117.2120.2-176.7-57.4-179.5000112.3I53 V73 I75 Q80 W86 I285 N286 L289 W306 I310I53-L308 HydrophobicContact CD1-CD1 3.72Å; V73-L308 HydrophobicContact CG1-CD2 4Å; V73-L308 HydrophobicContact CG2-CD2 3.78Å; I75-L308 HydrophobicContact CG2-CD2 4.09Å; Q80-L308 VanDerWaalsContact OE1-CA 3.32Å; W86-L308 HydrophobicContact CH2-CD1 3.6Å; W86-L308 HydrophobicContact CZ2-CD1 3.68Å; W86-L308 HydrophobicContact CZ2-CD2 4.18Å; W86-L308 HydrophobicContact CZ2-CG 4.38Å; I285-L308 HydrophobicContact CG2-CD1 4.04Å; N286-L308 PolarHBondContact ND2-O 3.4Å; N286-L308 WeakPolarHBondContact OD1-CB 3.31Å; N286-L308 PolarHBondContact OD1-N 3.09Å; L289-L308 HydrophobicContact CD1-CB 4.42Å; L289-L308 HydrophobicContact CD1-CD1 3.32Å; L289-L308 HydrophobicContact CD1-CD2 4.43Å; L289-L308 HydrophobicContact CD1-CG 3.42Å; L289-L308 VanDerWaalsContact CD1-CG 3.42Å; W306-L308 PolarHBondContact NE1-O 3.29Å; L308-I310 VanDerWaalsContact C-N 3.3Å; L308-I310 HydrophobicContact CB-CG1 4.11Å; L308-I310 HydrophobicContact CD1-CD1 4.41Å; L308-I310 PolarHBondContact O-N 3.2Å; L308-I310 VanDerWaalsContact O-N 3.09Å
309N93.5Very high86.3Confident37 Ų3740.6 Ų40.620%0.19823%0.233CC..  trans-87.169.6174.8-66.4-1.2000110.5Q80 T339Q80-N309 HydrophobicContact CB-CB 4.33Å; N309-T339 WeakPolarHBondContact O-CB 3.46Å
310I95.3Very high87.9Confident5 Ų541.9 Ų41.93%0.02625%0.247CC..  trans-128.1147.5177.862.1166.4000110.4W86 S283 I285 L308 V313 V337W86-I310 HydrophobicContact CH2-CD1 4.15Å; W86-I310 HydrophobicContact CZ2-CD1 3.88Å; W86-I310 HydrophobicContact CZ2-CG2 3.87Å; S283-I310 WeakPolarHBondContact CB-O 3.32Å; I285-I310 HydrophobicContact CG2-CD1 4.38Å; L308-I310 VanDerWaalsContact C-N 3.3Å; L308-I310 HydrophobicContact CB-CG1 4.11Å; L308-I310 HydrophobicContact CD1-CD1 4.41Å; L308-I310 PolarHBondContact O-N 3.2Å; L308-I310 VanDerWaalsContact O-N 3.09Å; I310-V313 HydrophobicContact CB-CG2 4.4Å; I310-V313 HydrophobicContact CD1-CG2 3.84Å; I310-V313 HydrophobicContact CG2-CG2 4.03Å; I310-V337 HydrophobicContact CG2-CG1 4.02Å
311V94.6Very high89.5Confident11 Ų1134.3 Ų34.37%0.06721%0.207CC..SBendtrans-87.6-50.9156.51760000108.4F225 L229 N255 S283 Q338F225-V311 HydrophobicContact CD1-CG1 4.14Å; F225-V311 HydrophobicContact CE1-CG1 3.79Å; F225-V311 HydrophobicContact CE1-CG2 3.91Å; L229-V311 HydrophobicContact CD2-CG1 3.53Å; N255-V311 HydrophobicContact CB-CG1 3.89Å; S283-V311 PolarHBondContact N-O 3.46Å; V311-Q338 PolarHBondContact N-O 2.84Å
312T95.9Very high90.9Very high0 Ų031.4 Ų31.40%017%0.174CC..EExtended strand (participates in β ladder)trans-156.4155.5176.4-167.50000112.6Q280 I281 L314 Q338Q280-T312 VanDerWaalsContact CG-OG1 3.22Å; Q280-T312 WeakPolarHBondContact CG-OG1 3.38Å; Q280-T312 PolarHBondContact NE2-OG1 2.81Å; I281-T312 CarbonylContact O-C 3.52Å; I281-T312 WeakPolarHBondContact O-CA 3.47Å; I281-T312 WeakPolarHBondContact O-CB 3.28Å; I281-T312 PolarHBondContact O-OG1 3.22Å; T312-L314 HydrophobicContact CG2-CD2 4.43Å; T312-L314 HydrophobicContact CG2-CG 4.44Å; T312-Q338 HydrophobicContact CG2-CB 4.18Å; T312-Q338 HydrophobicContact CG2-CG 4.29Å; T312-Q338 PolarHBondContact N-O 2.92Å; T312-Q338 PolarHBondContact O-N 3.13Å
313V98.2Very high92Very high0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-122.4123.5171.1-178.30000108.5W86 Q280 I281 I310 I315 I335 I336 V337W86-V313 HydrophobicContact CD2-CG1 4.5Å; W86-V313 HydrophobicContact CD2-CG2 4.07Å; W86-V313 HydrophobicContact CE3-CG1 4.4Å; W86-V313 HydrophobicContact CE3-CG2 4.34Å; W86-V313 HydrophobicContact CH2-CG2 4.12Å; W86-V313 HydrophobicContact CZ2-CG2 3.84Å; W86-V313 HydrophobicContact CZ3-CG2 4.36Å; Q280-V313 CarbonylContact C-O 3.41Å; Q280-V313 WeakPolarHBondContact CA-O 3.11Å; I281-V313 HydrophobicContact CB-CB 4.25Å; I281-V313 PolarHBondContact N-O 2.75Å; I281-V313 PolarHBondContact O-N 2.9Å; I310-V313 HydrophobicContact CB-CG2 4.4Å; I310-V313 HydrophobicContact CD1-CG2 3.84Å; I310-V313 HydrophobicContact CG2-CG2 4.03Å; V313-I315 HydrophobicContact CG1-CD1 4.09Å; V313-I335 HydrophobicContact CG1-CG2 3.34Å; V313-I336 CarbonylContact C-O 3.58Å; V313-I336 WeakPolarHBondContact CA-O 3.4Å; V313-V337 HydrophobicContact CG1-CG2 4.26Å; V313-V337 HydrophobicContact CG2-CG1 4.34Å; V313-V337 HydrophobicContact CG2-CG2 4.33Å
314L98Very high93Very high0 Ų028.9 Ų28.90%016%0.161CC..EExtended strand (participates in β ladder)trans-107.8129.6-179.1-53.4171.5000109.6P252 F254 F277 Q280 T312 F316 I335 I336P252-L314 HydrophobicContact CB-CD1 4.12Å; P252-L314 HydrophobicContact CB-CD2 3.98Å; F254-L314 HydrophobicContact CD1-CD1 3.52Å; F254-L314 HydrophobicContact CD2-CD1 4.35Å; F254-L314 HydrophobicContact CE1-CD1 3.37Å; F254-L314 HydrophobicContact CE2-CD1 4.24Å; F254-L314 HydrophobicContact CG-CD1 4.02Å; F254-L314 HydrophobicContact CZ-CD1 3.76Å; F277-L314 HydrophobicContact CE2-CD2 4.13Å; Q280-L314 HydrophobicContact CB-CD2 3.88Å; Q280-L314 HydrophobicContact CG-CD2 3.59Å; T312-L314 HydrophobicContact CG2-CD2 4.43Å; T312-L314 HydrophobicContact CG2-CG 4.44Å; L314-F316 HydrophobicContact CB-CD2 4.48Å; L314-F316 HydrophobicContact CB-CE2 3.78Å; L314-I335 CarbonylContact O-C 3.55Å; L314-I335 VanDerWaalsContact O-CA 3.3Å; L314-I335 WeakPolarHBondContact O-CA 3.4Å; L314-I336 HydrophobicContact CB-CB 4.2Å; L314-I336 HydrophobicContact CD1-CB 4.47Å; L314-I336 PolarHBondContact N-O 3.42Å; L314-I336 PolarHBondContact O-N 3.18Å
315I98.2Very high93.6Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-111.4128.5-179.1-58.979.6000108.7V88 E278 L279 I281 V313 T317V88-I315 HydrophobicContact CG1-CG2 4.12Å; V88-I315 HydrophobicContact CG2-CG1 3.88Å; E278-I315 PolarHBondContact N-O 2.95Å; L279-I315 HydrophobicContact CB-CB 4.16Å; L279-I315 HydrophobicContact CB-CD1 4.08Å; L279-I315 HydrophobicContact CB-CG1 4.46Å; L279-I315 HydrophobicContact CD2-CD1 3.98Å; L279-I315 HydrophobicContact CG-CD1 4.02Å; L279-I315 WeakPolarHBondContact O-CD1 3.33Å; L279-I315 PolarHBondContact O-N 2.82Å; I281-I315 HydrophobicContact CD1-CD1 4.19Å; I281-I315 HydrophobicContact CG1-CD1 4.21Å; V313-I315 HydrophobicContact CG1-CD1 4.09Å; I315-T317 HydrophobicContact CG2-CG2 3.87Å
316F97.3Very high94.3Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-119.8128.2176.3-66-99.5000109.9I196 I199 P252 F254 R275 V276 F277 L314 C334 I336I196-F316 HydrophobicContact CD1-CB 4.45Å; I196-F316 HydrophobicContact CD1-CD1 3.66Å; I196-F316 HydrophobicContact CD1-CE1 4.19Å; I196-F316 HydrophobicContact CD1-CG 4.22Å; I196-F316 HydrophobicContact CG1-CD1 3.77Å; I196-F316 HydrophobicContact CG1-CE1 3.88Å; I199-F316 HydrophobicContact CD1-CE1 4.29Å; P252-F316 HydrophobicContact CB-CZ 4.34Å; P252-F316 HydrophobicContact CG-CZ 4.09Å; F254-F316 HydrophobicContact CZ-CZ 4.22Å; R275-F316 HydrophobicContact CB-CB 4.39Å; V276-F316 CarbonylContact O-C 3.53Å; V276-F316 WeakPolarHBondContact O-CA 3.18Å; F277-F316 HydrophobicContact CB-CD1 4.1Å; F277-F316 HydrophobicContact CB-CE1 3.8Å; F277-F316 HydrophobicContact CB-CZ 4.42Å; F277-F316 HydrophobicContact CD2-CZ 4.39Å; L314-F316 HydrophobicContact CB-CD2 4.48Å; L314-F316 HydrophobicContact CB-CE2 3.78Å; F316-C334 HydrophobicContact CB-CB 4.33Å; F316-C334 PolarHBondContact N-O 3.04Å; F316-C334 WeakPolarHBondContact O-CB 3.44Å; F316-C334 PolarHBondContact O-N 3.49Å; F316-C334 VanDerWaalsContact O-N 3.11Å; F316-I336 HydrophobicContact CD2-CD1 4.22Å; F316-I336 HydrophobicContact CD2-CG1 4.26Å; F316-I336 HydrophobicContact CE2-CD1 3.51Å; F316-I336 HydrophobicContact CE2-CG1 3.94Å; F316-I336 HydrophobicContact CZ-CD1 4.17Å
317T97.2Very high94.6Very high0 Ų030.7 Ų30.70%018%0.181CC..EExtended strand (participates in β ladder)trans-126.7163.2-175.970.90000111.9R67 L69 W248 R275 V276 E278 I315 R319 E333R67-T317 PolarHBondContact NH2-OG1 2.95Å; L69-T317 HydrophobicContact CD2-CG2 4.38Å; W248-T317 WeakPolarHBondContact CZ3-OG1 3.47Å; R275-T317 CarbonylContact C-O 3.57Å; R275-T317 VanDerWaalsContact CA-O 3.24Å; R275-T317 WeakPolarHBondContact CA-O 3.38Å; V276-T317 PolarHBondContact N-O 2.85Å; V276-T317 PolarHBondContact O-N 2.86Å; E278-T317 HydrophobicContact CB-CG2 4.42Å; E278-T317 VanDerWaalsContact OE2-CB 3.29Å; E278-T317 WeakPolarHBondContact OE2-CB 3.41Å; E278-T317 WeakPolarHBondContact OE2-CG2 3.25Å; E278-T317 PolarHBondContact OE2-OG1 2.82Å; I315-T317 HydrophobicContact CG2-CG2 3.87Å; T317-R319 PolarHBondContact O-N 3.02Å; T317-E333 VanDerWaalsContact CA-OE2 3.25Å; T317-E333 WeakPolarHBondContact CA-OE2 3.48Å; T317-E333 WeakPolarHBondContact CB-OE2 3.45Å; T317-E333 HydrophobicContact CG2-CB 3.93Å; T317-E333 HydrophobicContact CG2-CG 3.67Å
318C96.4Very high94.8Very high1 Ų131.5 Ų31.51%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-60.8121.6179.3174.40000111.6C268 C271 S320 S321 C322C268-C318 HydrophobicContact CB-CB 3.99Å; C271-C318 PolarHBondContact SG-SG 2.77Å; C318-S320 VanDerWaalsContact C-N 3.26Å; C318-S320 PolarHBondContact O-N 3Å; C318-S321 WeakPolarHBondContact O-CA 3.15Å; C318-S321 PolarHBondContact O-N 3.15Å; C318-C322 VanDerWaalsContact SG-SG 3.64Å
319R95.4Very high94.9Very high92 Ų9235.5 Ų35.535%0.34721%0.207SC..THydrogen-bonded Turntrans-54.8-39.8177.1-171.2175.7-1739016113S193 S249 E274 V276 T317 S321S193-R319 PolarHBondContact OG-NH1 3.15Å; S193-R319 VanDerWaalsContact OG-NH1 3.15Å; S193-R319 PolarHBondContact OG-NH2 3.1Å; S249-R319 PolarHBondContact OG-NH1 3.45Å; E274-R319 WeakPolarHBondContact O-CB 3.49Å; E274-R319 PolarHBondContact O-N 3.19Å; V276-R319 HydrophobicContact CG1-CB 3.87Å; V276-R319 HydrophobicContact CG1-CG 3.99Å; V276-R319 HydrophobicContact CG2-CB 4.24Å; T317-R319 PolarHBondContact O-N 3.02Å; R319-S321 PolarHBondContact O-N 3.11Å
320S95.4Very high95Very high80 Ų8034.8 Ų34.856%0.55920%0.202SC*.THydrogen-bonded Turntrans-78.53.6176.4-60.10000114.1S273 C318 C322S273-S320 VanDerWaalsContact CB-OG 3.26Å; S273-S320 WeakPolarHBondContact CB-OG 3.23Å; S273-S320 PolarHBondContact OG-N 3.41Å; S273-S320 PolarHBondContact OG-OG 3.23Å; C318-S320 VanDerWaalsContact C-N 3.26Å; C318-S320 PolarHBondContact O-N 3Å; S320-C322 PolarHBondContact O-N 3.18Å
321S95.8Very high95.1Very high15 Ų1535.1 Ų35.111%0.10520%0.203CC..  trans41.442.9-174.3-163.10000113R67 R90 Q92 C318 R319 W323R67-S321 PolarHBondContact NE-OG 3.18Å; R90-S321 PolarHBondContact NH1-O 3.24Å; R90-S321 VanDerWaalsContact NH1-O 3.11Å; R90-S321 PolarHBondContact NH1-OG 3.27Å; Q92-S321 PolarHBondContact NE2-O 3.09Å; Q92-S321 VanDerWaalsContact NE2-O 3.17Å; Q92-S321 PolarHBondContact NE2-OG 3.13Å; Q92-S321 PolarHBondContact OE1-OG 2.85Å; Q92-S321 VanDerWaalsContact OE1-OG 3.07Å; C318-S321 WeakPolarHBondContact O-CA 3.15Å; C318-S321 PolarHBondContact O-N 3.15Å; R319-S321 PolarHBondContact O-N 3.11Å; S321-W323 PolarHBondContact O-N 2.68Å
322C95.8Very high95.2Very high17 Ų1736.5 Ų36.512%0.11521%0.209CC..  trans-53.6136.3-168640000111.7R90 C268 R270 C271 C318 S320 I331R90-C322 PolarHBondContact NH1-O 2.88Å; R90-C322 PolarHBondContact NH2-O 2.75Å; C268-C322 VanDerWaalsContact SG-SG 3.63Å; R270-C322 PolarHBondContact NH1-O 2.73Å; R270-C322 PolarHBondContact NH1-SG 2.86Å; C271-C322 HydrophobicContact CB-CB 3.9Å; C318-C322 VanDerWaalsContact SG-SG 3.64Å; S320-C322 PolarHBondContact O-N 3.18Å; C322-I331 VanDerWaalsContact O-CD1 3.26Å; C322-I331 WeakPolarHBondContact O-CD1 3.34Å
323W95.6Very high95.3Very high37 Ų3736.8 Ų36.814%0.1421%0.21CC..  trans-163.1143-172.4-168.4-97.2000111.8Q92 S321 D328 D329 I331Q92-W323 HydrophobicContact CB-CD2 3.68Å; Q92-W323 HydrophobicContact CB-CE3 4.03Å; Q92-W323 HydrophobicContact CB-CG 4.03Å; Q92-W323 HydrophobicContact CB-CH2 4.45Å; Q92-W323 HydrophobicContact CB-CZ2 4.08Å; Q92-W323 HydrophobicContact CB-CZ3 4.41Å; Q92-W323 HydrophobicContact CG-CD2 4.27Å; Q92-W323 HydrophobicContact CG-CE3 4.22Å; Q92-W323 VanDerWaalsContact N-CH2 3.29Å; Q92-W323 VanDerWaalsContact N-CZ2 3.35Å; Q92-W323 VanDerWaalsContact O-CZ2 3.26Å; Q92-W323 WeakPolarHBondContact O-CZ2 3.39Å; Q92-W323 PolarHBondContact O-NE1 2.87Å; S321-W323 PolarHBondContact O-N 2.68Å; W323-D328 WeakPolarHBondContact CA-OD2 3.5Å; W323-D328 HydrophobicContact CD2-CB 3.92Å; W323-D328 HydrophobicContact CE3-CB 4.05Å; W323-D328 HydrophobicContact CH2-CB 3.98Å; W323-D328 HydrophobicContact CZ2-CB 3.91Å; W323-D328 WeakPolarHBondContact CZ2-O 3.36Å; W323-D328 HydrophobicContact CZ3-CB 4.07Å; W323-D329 WeakPolarHBondContact CH2-O 3.2Å; W323-I331 HydrophobicContact CD2-CD1 4.48Å; W323-I331 HydrophobicContact CE3-CD1 3.48Å; W323-I331 VanDerWaalsContact CE3-CD1 3.48Å; W323-I331 HydrophobicContact CE3-CG1 4.04Å; W323-I331 HydrophobicContact CZ3-CB 4.32Å; W323-I331 HydrophobicContact CZ3-CD1 3.76Å; W323-I331 HydrophobicContact CZ3-CG1 3.77Å
324S94Very high95.3Very high34 Ų3436.8 Ų36.824%0.23821%0.21CC..  trans-127111.5176.3168.70000108.5T326 T327 D328S324-T326 PolarHBondContact O-N 3.27Å; S324-T326 PolarHBondContact OG-OG1 3.4Å; S324-T326 VanDerWaalsContact OG-OG1 3.07Å; S324-T327 WeakPolarHBondContact CB-OG1 3.36Å; S324-T327 PolarHBondContact O-N 3.46Å; S324-T327 PolarHBondContact OG-OG1 3.21Å; S324-D328 WeakPolarHBondContact CB-OD2 3.41Å; S324-D328 PolarHBondContact N-OD2 3.33Å; S324-D328 VanDerWaalsContact O-CB 3.3Å; S324-D328 WeakPolarHBondContact O-CB 3.22Å; S324-D328 PolarHBondContact O-N 3.45Å
325S87.4Confident95.3Very high87 Ų8736.8 Ų36.861%0.60821%0.21SC*.THydrogen-bonded Turntrans-66-7.3-179.460.40000114.2
326T87.6Confident95.2Very high124 Ų12436.8 Ų36.876%0.76121%0.21SC*.THydrogen-bonded Turntrans-99.8-17.4178.9550000113.2S324S324-T326 PolarHBondContact O-N 3.27Å; S324-T326 PolarHBondContact OG-OG1 3.4Å; S324-T326 VanDerWaalsContact OG-OG1 3.07Å
327T90.2Very high95.2Very high99 Ų9936.8 Ų36.861%0.60721%0.21SC*.THydrogen-bonded Turntrans-131.9-20-172.160.70000114.1S324S324-T327 WeakPolarHBondContact CB-OG1 3.36Å; S324-T327 PolarHBondContact O-N 3.46Å; S324-T327 PolarHBondContact OG-OG1 3.21Å
328D94.8Very high95.1Very high22 Ų2237 Ų3712%0.11821%0.211CC..  trans-107.5120.4-172-56.5-20.6000110R270 W323 S324 I331R270-D328 IonicContact CZ-OD1 3.71Å; R270-D328 IonicContact CZ-OD2 3.1Å; R270-D328 IonicContact NH1-OD2 2.61Å; R270-D328 PolarHBondContact NH1-OD2 3.37Å; R270-D328 IonicContact NH2-OD1 3.61Å; R270-D328 PolarHBondContact NH2-OD1 3.46Å; R270-D328 IonicContact NH2-OD2 3.23Å; R270-D328 PolarHBondContact NH2-OD2 3.31Å; W323-D328 WeakPolarHBondContact CA-OD2 3.5Å; W323-D328 HydrophobicContact CD2-CB 3.92Å; W323-D328 HydrophobicContact CE3-CB 4.05Å; W323-D328 HydrophobicContact CH2-CB 3.98Å; W323-D328 HydrophobicContact CZ2-CB 3.91Å; W323-D328 WeakPolarHBondContact CZ2-O 3.36Å; W323-D328 HydrophobicContact CZ3-CB 4.07Å; S324-D328 WeakPolarHBondContact CB-OD2 3.41Å; S324-D328 PolarHBondContact N-OD2 3.33Å; S324-D328 VanDerWaalsContact O-CB 3.3Å; S324-D328 WeakPolarHBondContact O-CB 3.22Å; S324-D328 PolarHBondContact O-N 3.45Å; D328-I331 HydrophobicContact CB-CD1 4.38Å; D328-I331 HydrophobicContact CB-CG1 4.43Å
329D95.3Very high95Very high85 Ų8537 Ų3746%0.45521%0.212SC..SBendtrans-107.1-32163.9-64.8-36.5000111.2V33 S91 W323V33-D329 HydrophobicContact CG1-CB 4.27Å; S91-D329 WeakPolarHBondContact CB-O 3.31Å; S91-D329 PolarHBondContact OG-O 3.12Å; W323-D329 WeakPolarHBondContact CH2-O 3.2Å
330W96.9Very high94.6Very high22 Ų2235.6 Ų35.68%0.08321%0.211CC..  trans-148122.8-173.6-59.299.9000111.1L27 T29 V33 E34 P36 Y70 L89L27-W330 HydrophobicContact CD1-CH2 4.4Å; L27-W330 HydrophobicContact CD2-CH2 4.39Å; T29-W330 HydrophobicContact CG2-CH2 4.14Å; T29-W330 HydrophobicContact CG2-CZ2 3.84Å; V33-W330 HydrophobicContact CG1-CZ2 3.83Å; E34-W330 WeakPolarHBondContact O-CZ2 3.36Å; E34-W330 PolarHBondContact O-NE1 3.15Å; P36-W330 HydrophobicContact CB-CD2 3.95Å; P36-W330 HydrophobicContact CB-CE3 4.43Å; P36-W330 HydrophobicContact CB-CG 4.21Å; P36-W330 HydrophobicContact CB-CZ2 4.32Å; P36-W330 VanDerWaalsContact CD-CZ2 3.49Å; P36-W330 HydrophobicContact CG-CH2 4.43Å; P36-W330 HydrophobicContact CG-CZ2 4.29Å; Y70-W330 HydrophobicContact CD2-CE3 4.42Å; Y70-W330 HydrophobicContact CD2-CH2 4.09Å; Y70-W330 AromaticContact CD2-CZ3 3.42Å; Y70-W330 HydrophobicContact CD2-CZ3 3.42Å; Y70-W330 VanDerWaalsContact CD2-CZ3 3.42Å; Y70-W330 HydrophobicContact CE1-CH2 4.5Å; Y70-W330 AromaticContact CE2-CH2 3.93Å; Y70-W330 HydrophobicContact CE2-CH2 3.93Å; Y70-W330 AromaticContact CE2-CZ3 3.62Å; Y70-W330 HydrophobicContact CE2-CZ3 3.62Å; Y70-W330 HydrophobicContact CG-CH2 4.39Å; Y70-W330 AromaticContact CG-CZ3 3.87Å; Y70-W330 HydrophobicContact CG-CZ3 3.87Å; L89-W330 HydrophobicContact CB-CE3 3.8Å; L89-W330 HydrophobicContact CB-CZ3 4.39Å; L89-W330 HydrophobicContact CD1-CB 4.48Å; L89-W330 HydrophobicContact CD1-CD2 4.42Å; L89-W330 HydrophobicContact CD1-CE3 4.08Å
331I97.1Very high94.1Very high12 Ų1238 Ų386%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-113.2127173.2-66.5178.7000109.3L89 R90 R270 C322 W323 D328L89-I331 CarbonylContact C-O 3.53Å; L89-I331 WeakPolarHBondContact CA-O 3.45Å; R90-I331 PolarHBondContact N-O 2.75Å; R90-I331 VanDerWaalsContact NH2-CD1 3.34Å; R90-I331 PolarHBondContact O-N 3.26Å; R270-I331 VanDerWaalsContact NH1-CD1 3.31Å; C322-I331 VanDerWaalsContact O-CD1 3.26Å; C322-I331 WeakPolarHBondContact O-CD1 3.34Å; W323-I331 HydrophobicContact CD2-CD1 4.48Å; W323-I331 HydrophobicContact CE3-CD1 3.48Å; W323-I331 VanDerWaalsContact CE3-CD1 3.48Å; W323-I331 HydrophobicContact CE3-CG1 4.04Å; W323-I331 HydrophobicContact CZ3-CB 4.32Å; W323-I331 HydrophobicContact CZ3-CD1 3.76Å; W323-I331 HydrophobicContact CZ3-CG1 3.77Å; D328-I331 HydrophobicContact CB-CD1 4.38Å; D328-I331 HydrophobicContact CB-CG1 4.43Å
332E97.4Very high93.6Very high40 Ų4040.5 Ų40.519%0.18722%0.223CC..EExtended strand (participates in β ladder)trans-77133.7174.1-170.3167.8162.900110.4K87 V88 L89 P349K87-E332 HydrophobicContact CD-CG 4.44Å; K87-E332 VanDerWaalsContact CE-OE1 3.28Å; K87-E332 WeakPolarHBondContact CE-OE1 3.18Å; K87-E332 HydrophobicContact CG-CG 4.17Å; K87-E332 IonicContact NZ-OE2 3.5Å; V88-E332 WeakPolarHBondContact O-CA 3.37Å; L89-E332 HydrophobicContact CD2-CB 4Å; L89-E332 HydrophobicContact CD2-CG 4.31Å; E332-P349 HydrophobicContact CB-CB 4.47Å; E332-P349 HydrophobicContact CB-CG 4.38Å
333E97.8Very high93.2Very high5 Ų542.2 Ų42.22%0.02323%0.233CC..  trans-105.4167.2-179.7-62.1-61.3165.900111.7L69 V88 R90 T317L69-E333 HydrophobicContact CD2-CG 4.42Å; V88-E333 HydrophobicContact CB-CB 4.44Å; V88-E333 HydrophobicContact CG1-CB 4.23Å; V88-E333 PolarHBondContact O-N 3.49Å; R90-E333 HydrophobicContact CB-CG 4.02Å; R90-E333 IonicContact CZ-OE1 3.73Å; R90-E333 IonicContact NE-OE1 2.92Å; R90-E333 PolarHBondContact NE-OE1 3.13Å; R90-E333 IonicContact NH2-OE1 3.85Å; R90-E333 PolarHBondContact NH2-OE1 3.48Å; R90-E333 VanDerWaalsContact NH2-OE1 3.15Å; T317-E333 VanDerWaalsContact CA-OE2 3.25Å; T317-E333 WeakPolarHBondContact CA-OE2 3.48Å; T317-E333 WeakPolarHBondContact CB-OE2 3.45Å; T317-E333 HydrophobicContact CG2-CB 3.93Å; T317-E333 HydrophobicContact CG2-CG 3.67Å
334C97.2Very high93.1Very high0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-91.4134.9-174-1740000109.9F316 C348F316-C334 HydrophobicContact CB-CB 4.33Å; F316-C334 PolarHBondContact N-O 3.04Å; F316-C334 WeakPolarHBondContact O-CB 3.44Å; F316-C334 PolarHBondContact O-N 3.49Å; F316-C334 VanDerWaalsContact O-N 3.11Å; C334-C348 VanDerWaalsContact CA-SG 3.5Å; C334-C348 HydrophobicContact CB-CB 3.78Å; C334-C348 WeakPolarHBondContact CB-SG 3.39Å; C334-C348 WeakPolarHBondContact SG-CB 3.08Å; C334-C348 CovalentContact SG-SG 2.02Å; C334-C348 PolarHBondContact SG-SG 3.26Å
335I97.6Very high93.2Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-131.1143.4-171.2-46.6163.7000109.2W86 V88 V313 L314 V337 I346 I347W86-I335 HydrophobicContact CB-CD1 4.35Å; V88-I335 HydrophobicContact CB-CD1 3.97Å; V88-I335 HydrophobicContact CB-CG1 4.17Å; V88-I335 HydrophobicContact CG2-CD1 3.61Å; V88-I335 HydrophobicContact CG2-CG1 3.86Å; V313-I335 HydrophobicContact CG1-CG2 3.34Å; L314-I335 CarbonylContact O-C 3.55Å; L314-I335 VanDerWaalsContact O-CA 3.3Å; L314-I335 WeakPolarHBondContact O-CA 3.4Å; I335-V337 HydrophobicContact CG2-CG2 4.03Å; I335-I346 CarbonylContact O-C 3.55Å; I335-I346 WeakPolarHBondContact O-CA 3.45Å; I335-I347 HydrophobicContact CB-CB 4.39Å; I335-I347 PolarHBondContact N-O 2.95Å; I335-I347 PolarHBondContact O-N 2.86Å
336I97.1Very high93.6Very high0 Ų042.1 Ų42.10%022%0.221CC..EExtended strand (participates in β ladder)trans-118.4121.8165.5-48.2179.5000107.7F254 P259 L262 V313 L314 F316 Q338 I344 K345 I346F254-I336 HydrophobicContact CE1-CD1 3.75Å; F254-I336 HydrophobicContact CZ-CD1 4.02Å; P259-I336 HydrophobicContact CG-CD1 4.33Å; P259-I336 HydrophobicContact CG-CG2 4.29Å; L262-I336 HydrophobicContact CD1-CD1 3.58Å; L262-I336 HydrophobicContact CD1-CG1 4.23Å; L262-I336 HydrophobicContact CD2-CD1 3.66Å; L262-I336 HydrophobicContact CG-CD1 4.21Å; V313-I336 CarbonylContact C-O 3.58Å; V313-I336 WeakPolarHBondContact CA-O 3.4Å; L314-I336 HydrophobicContact CB-CB 4.2Å; L314-I336 HydrophobicContact CD1-CB 4.47Å; L314-I336 PolarHBondContact N-O 3.42Å; L314-I336 PolarHBondContact O-N 3.18Å; F316-I336 HydrophobicContact CD2-CD1 4.22Å; F316-I336 HydrophobicContact CD2-CG1 4.26Å; F316-I336 HydrophobicContact CE2-CD1 3.51Å; F316-I336 HydrophobicContact CE2-CG1 3.94Å; F316-I336 HydrophobicContact CZ-CD1 4.17Å; I336-Q338 HydrophobicContact CG2-CG 4.48Å; I336-I344 HydrophobicContact CG2-CG2 3.78Å; I336-K345 CarbonylContact C-O 3.6Å; I336-K345 WeakPolarHBondContact CA-O 3.38Å; I336-I346 HydrophobicContact CG1-CG1 4.25Å
337V97.4Very high94Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-105.1124.5175.6-178.60000107.9W86 I310 V313 I335 T339 I344 K345 I347W86-V337 HydrophobicContact CB-CG2 4.01Å; W86-V337 HydrophobicContact CG-CG2 3.86Å; I310-V337 HydrophobicContact CG2-CG1 4.02Å; V313-V337 HydrophobicContact CG1-CG2 4.26Å; V313-V337 HydrophobicContact CG2-CG1 4.34Å; V313-V337 HydrophobicContact CG2-CG2 4.33Å; I335-V337 HydrophobicContact CG2-CG2 4.03Å; V337-T339 HydrophobicContact CG1-CG2 4.4Å; V337-I344 WeakPolarHBondContact O-CA 3.23Å; V337-K345 PolarHBondContact N-O 3.36Å; V337-K345 PolarHBondContact O-N 2.86Å; V337-I347 HydrophobicContact CG2-CD1 4.2Å
338Q95.6Very high94.1Very high4 Ų432.9 Ų32.92%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-110.2113170.9-56.7-169.7-77.500108.1N255 V311 T312 I336 V343 I344N255-Q338 PolarHBondContact O-NE2 3.09Å; V311-Q338 PolarHBondContact N-O 2.84Å; T312-Q338 HydrophobicContact CG2-CB 4.18Å; T312-Q338 HydrophobicContact CG2-CG 4.29Å; T312-Q338 PolarHBondContact N-O 2.92Å; T312-Q338 PolarHBondContact O-N 3.13Å; I336-Q338 HydrophobicContact CG2-CG 4.48Å; Q338-V343 WeakPolarHBondContact CA-O 3.34Å; Q338-I344 HydrophobicContact CG-CG1 4.21Å; Q338-I344 HydrophobicContact CG-CG2 4.4Å
339T93.7Very high93.6Very high3 Ų333.8 Ų33.82%0.01817%0.172CC..  trans-82163.4-177.872.20000111.6N309 V337 K341 N342 V343N309-T339 WeakPolarHBondContact O-CB 3.46Å; V337-T339 HydrophobicContact CG1-CG2 4.4Å; T339-K341 PolarHBondContact O-N 3.16Å; T339-K341 PolarHBondContact OG1-N 3.4Å; T339-N342 PolarHBondContact O-N 3.25Å; T339-N342 VanDerWaalsContact O-N 3.14Å; T339-V343 HydrophobicContact CG2-CB 4.01Å; T339-V343 PolarHBondContact N-O 3.07Å; T339-V343 WeakPolarHBondContact OG1-CB 3.31Å; T339-V343 PolarHBondContact OG1-N 3.15Å; T339-V343 PolarHBondContact OG1-O 3.07Å
340D87.2Confident92.5Very high62 Ų6236.4 Ų36.433%0.33220%0.197SC..THydrogen-bonded Turntrans-53.9-33167.657.8-9.2000113.6N342D340-N342 VanDerWaalsContact C-N 3.27Å; D340-N342 PolarHBondContact O-N 3.35Å
341K85.6Confident92.2Very high131 Ų13137.2 Ų37.257%0.5720%0.203SC*.THydrogen-bonded Turntrans-88.326.2177.3-62.1-179.5-176.7-177.50114.5T339 V343T339-K341 PolarHBondContact O-N 3.16Å; T339-K341 PolarHBondContact OG1-N 3.4Å; K341-V343 PolarHBondContact O-N 3.38Å
342N83.7Confident92Very high66 Ų6638.5 Ų38.535%0.35321%0.211SC..SBendtrans55.722.9-180-65-37.4000116P222 E223 T339 D340P222-N342 PolarHBondContact O-ND2 3.28Å; E223-N342 WeakPolarHBondContact CA-ND2 3.05Å; T339-N342 PolarHBondContact O-N 3.25Å; T339-N342 VanDerWaalsContact O-N 3.14Å; D340-N342 VanDerWaalsContact C-N 3.27Å; D340-N342 PolarHBondContact O-N 3.35Å
343V88.8Confident91.7Very high54 Ų5438.4 Ų38.433%0.32721%0.212SC..  trans-80.9123.6169.7179.40000108.1Q338 T339 K341Q338-V343 WeakPolarHBondContact CA-O 3.34Å; T339-V343 HydrophobicContact CG2-CB 4.01Å; T339-V343 PolarHBondContact N-O 3.07Å; T339-V343 WeakPolarHBondContact OG1-CB 3.31Å; T339-V343 PolarHBondContact OG1-N 3.15Å; T339-V343 PolarHBondContact OG1-O 3.07Å; K341-V343 PolarHBondContact O-N 3.38Å
344I93.1Very high91.3Very high64 Ų6440.4 Ų40.433%0.32822%0.223SC..EExtended strand (participates in β ladder)trans-105.2123.5172.1-55.5178.9000108.1P259 I336 V337 Q338P259-I344 HydrophobicContact CB-CG2 4.01Å; P259-I344 HydrophobicContact CG-CG2 3.75Å; I336-I344 HydrophobicContact CG2-CG2 3.78Å; V337-I344 WeakPolarHBondContact O-CA 3.23Å; Q338-I344 HydrophobicContact CG-CG1 4.21Å; Q338-I344 HydrophobicContact CG-CG2 4.4Å
345K95.3Very high91Very high78 Ų7842.9 Ų42.934%0.33924%0.237SC..EExtended strand (participates in β ladder)trans-129.1122.7178.9-170.669.2-157.1165.70112.1S82 N84 I336 V337 I347S82-K345 WeakPolarHBondContact O-CB 3.38Å; S82-K345 WeakPolarHBondContact O-CG 3.33Å; N84-K345 WeakPolarHBondContact ND2-CE 3.43Å; N84-K345 WeakPolarHBondContact OD1-CE 3.09Å; N84-K345 VanDerWaalsContact OD1-CG 3.24Å; N84-K345 WeakPolarHBondContact OD1-CG 2.97Å; I336-K345 CarbonylContact C-O 3.6Å; I336-K345 WeakPolarHBondContact CA-O 3.38Å; V337-K345 PolarHBondContact N-O 3.36Å; V337-K345 PolarHBondContact O-N 2.86Å; K345-I347 HydrophobicContact CG-CG1 4.22Å
346I95.8Very high90.5Very high13 Ų1345.7 Ų45.77%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-87.5127.6168.3-58.7163.4000109P259 D261 L262 Y265 I335 I336 C348P259-I346 HydrophobicContact CB-CD1 3.92Å; P259-I346 HydrophobicContact CB-CG1 4.4Å; P259-I346 HydrophobicContact CG-CD1 3.72Å; P259-I346 HydrophobicContact CG-CG1 3.86Å; D261-I346 WeakPolarHBondContact OD1-CD1 3.29Å; L262-I346 HydrophobicContact CB-CD1 4.1Å; L262-I346 HydrophobicContact CD1-CD1 4.32Å; Y265-I346 HydrophobicContact CD2-CD1 4.23Å; Y265-I346 HydrophobicContact CD2-CG2 3.71Å; Y265-I346 HydrophobicContact CE2-CB 4.45Å; Y265-I346 HydrophobicContact CE2-CD1 4.26Å; Y265-I346 HydrophobicContact CE2-CG2 3.85Å; Y265-I346 HydrophobicContact CG-CG2 4.16Å; I335-I346 CarbonylContact O-C 3.55Å; I335-I346 WeakPolarHBondContact O-CA 3.45Å; I336-I346 HydrophobicContact CG1-CG1 4.25Å; I346-C348 HydrophobicContact CG2-CB 4.49Å; I346-C348 WeakPolarHBondContact CG2-SG 3.2Å
347I95.6Very high90Very high7 Ų749 Ų494%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-122.6104.4174.9-52.9170.3000107.1M44 G83 W86 I335 V337 K345M44-I347 HydrophobicContact CE-CB 4.46Å; M44-I347 HydrophobicContact CE-CD1 4.34Å; M44-I347 HydrophobicContact CE-CG1 4.12Å; M44-I347 HydrophobicContact CE-CG2 3.64Å; G83-I347 WeakPolarHBondContact O-CD1 3.4Å; W86-I347 HydrophobicContact CB-CD1 4.21Å; I335-I347 HydrophobicContact CB-CB 4.39Å; I335-I347 PolarHBondContact N-O 2.95Å; I335-I347 PolarHBondContact O-N 2.86Å; V337-I347 HydrophobicContact CG2-CD1 4.2Å; K345-I347 HydrophobicContact CG-CG1 4.22Å
348C93.6Very high89.5Confident23 Ų2352.8 Ų52.816%0.15529%0.291CS..  trans-137.5145.2179-51.30000109.6Y265 C334 I346 S350Y265-C348 HydrophobicContact CD1-CB 3.59Å; Y265-C348 HydrophobicContact CE1-CB 4.08Å; Y265-C348 HydrophobicContact CG-CB 4.15Å; C334-C348 VanDerWaalsContact CA-SG 3.5Å; C334-C348 HydrophobicContact CB-CB 3.78Å; C334-C348 WeakPolarHBondContact CB-SG 3.39Å; C334-C348 WeakPolarHBondContact SG-CB 3.08Å; C334-C348 CovalentContact SG-SG 2.02Å; C334-C348 PolarHBondContact SG-SG 3.26Å; I346-C348 HydrophobicContact CG2-CB 4.49Å; I346-C348 WeakPolarHBondContact CG2-SG 3.2Å; C348-S350 PolarHBondContact O-N 2.72Å
349P85Confident89Confident40 Ų4056.8 Ų56.826%0.2631%0.314SS..  trans-63.5133.3175.126.8-34.1000109.5E332E332-P349 HydrophobicContact CB-CB 4.47Å; E332-P349 HydrophobicContact CB-CG 4.38Å
350S70.3Confident88.5Confident141 Ų14161.7 Ų61.799%0.98634%0.341SS*.  trans-67.70179.157.20000112.8H269 C348H269-S350 PolarHBondContact CE1-OXT 3.47Å; H269-S350 PolarHBondContact ND1-O 3.14Å; H269-S350 PolarHBondContact ND1-OXT 3Å; C348-S350 PolarHBondContact O-N 2.72Å

Retrieved 350 of 350 residues in 100.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).