A0A087XB14_POEFO Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087XB14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 821 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
1G74.9Confident70.4Confident14 Ų1459.1 Ų59.114%0.14432%0.316CS..  0148.1000000109.3D41 Q60 A67 V68 F69G1-D41 CarbonylContact C-O 3.59Å; G1-D41 VanDerWaalsContact CA-O 3.29Å; G1-D41 WeakPolarHBondContact CA-O 3.35Å; G1-Q60 VanDerWaalsContact CA-CD 3.44Å; G1-Q60 VanDerWaalsContact CA-NE2 3.29Å; G1-Q60 VanDerWaalsContact CA-OE1 3.29Å; G1-A67 PolarHBondContact N-O 3.33Å; G1-V68 WeakPolarHBondContact O-CA 3.22Å; G1-F69 PolarHBondContact O-N 3.27Å
2G82.9Confident70.1Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-113.5134.6168.300000109.8D41 I42 Q43 Q60 F69G2-D41 PolarHBondContact N-O 3.41Å; G2-I42 WeakPolarHBondContact O-CA 3.38Å; G2-Q43 PolarHBondContact O-N 3.47Å; G2-Q60 PolarHBondContact O-NE2 3.2Å; G2-Q60 VanDerWaalsContact O-NE2 3.16Å; G2-F69 WeakPolarHBondContact CA-O 3.38Å
3I85.6Confident70.1Confident0 Ų057 Ų570%031%0.306CS..EExtended strand (participates in β ladder)trans-114.5114.8174.1-56.1176.8000106.7Q43 I45 A57 V68 F69 P71 V80I3-Q43 WeakPolarHBondContact CA-O 3.39Å; I3-Q43 HydrophobicContact CG1-CB 4.47Å; I3-I45 HydrophobicContact CG2-CD1 3.71Å; I3-I45 HydrophobicContact CG2-CG1 4Å; I3-I45 HydrophobicContact CG2-CG2 4.07Å; I3-A57 HydrophobicContact CD1-CB 3.79Å; I3-V68 HydrophobicContact CD1-CG1 4.05Å; I3-V68 HydrophobicContact CG1-CG1 4.41Å; I3-F69 PolarHBondContact N-O 3.36Å; I3-P71 HydrophobicContact CG2-CB 4.22Å; I3-P71 WeakPolarHBondContact O-CA 3.36Å; I3-V80 HydrophobicContact CD1-CG2 4.23Å
4F83.6Confident70.2Confident11 Ų1155.4 Ų55.45%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-119.7137.8-177-59.2-78.3000110.8E15 E16 F19 I42 Q43 R44 I45F4-E15 HydrophobicContact CD1-CB 4.03Å; F4-E15 HydrophobicContact CE1-CB 4.19Å; F4-E16 HydrophobicContact CD2-CB 4.21Å; F4-E16 HydrophobicContact CD2-CG 4.23Å; F4-E16 HydrophobicContact CG-CB 4.27Å; F4-F19 HydrophobicContact CE1-CB 4.41Å; F4-F19 HydrophobicContact CE2-CB 4.3Å; F4-F19 AromaticContact CE2-CD1 3.99Å; F4-F19 HydrophobicContact CE2-CD1 3.99Å; F4-F19 HydrophobicContact CE2-CG 4.22Å; F4-F19 HydrophobicContact CZ-CB 3.63Å; F4-F19 AromaticContact CZ-CD1 3.92Å; F4-F19 HydrophobicContact CZ-CD1 3.92Å; F4-F19 HydrophobicContact CZ-CD2 4.2Å; F4-F19 AromaticContact CZ-CG 3.67Å; F4-F19 HydrophobicContact CZ-CG 3.67Å; F4-I42 HydrophobicContact CD2-CG2 3.97Å; F4-I42 HydrophobicContact CE2-CG1 4.26Å; F4-I42 HydrophobicContact CE2-CG2 4.37Å; F4-Q43 PolarHBondContact N-O 3.09Å; F4-R44 WeakPolarHBondContact O-CA 3.45Å; F4-I45 PolarHBondContact O-N 3.41Å
5E79.3Confident70.3Confident19 Ų1953.7 Ų53.79%0.08929%0.288CS..EExtended strand (participates in β ladder)trans-86.7133176.2-72.8166.2166.800109.6I45 L47 P71 S72 H73 S76E5-I45 WeakPolarHBondContact CA-O 3.44Å; E5-I45 HydrophobicContact CB-CG1 4.48Å; E5-I45 HydrophobicContact CG-CD1 3.7Å; E5-I45 HydrophobicContact CG-CG1 3.65Å; E5-L47 HydrophobicContact CB-CD2 4.4Å; E5-L47 HydrophobicContact CB-CG 4.23Å; E5-P71 HydrophobicContact CG-CB 4.3Å; E5-S72 WeakPolarHBondContact OE2-CA 3.37Å; E5-S72 WeakPolarHBondContact OE2-CB 3.27Å; E5-S72 PolarHBondContact OE2-N 3.36Å; E5-H73 WeakPolarHBondContact OE1-CB 3.45Å; E5-H73 PolarHBondContact OE1-N 3.41Å; E5-H73 WeakPolarHBondContact OE2-CB 3.49Å; E5-H73 PolarHBondContact OE2-N 3.25Å; E5-S76 WeakPolarHBondContact OE1-CB 3.39Å; E5-S76 PolarHBondContact OE1-OG 3.47Å
6T72.7Confident70.7Confident20 Ų2050.5 Ų50.512%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-125.9140.5178.349.10000110.4R44 I45T6-R44 HydrophobicContact CG2-CG 4.42Å; T6-I45 PolarHBondContact N-O 3.48Å
7L67.7Low71.1Confident96 Ų9651 Ų5150%0.50327%0.273SS..  trans-76146.5168.1-74157.5000109N9 E10 L47L7-N9 PolarHBondContact O-N 3.32Å; L7-E10 HydrophobicContact CB-CG 4.49Å; L7-E10 PolarHBondContact O-N 3.43Å; L7-L47 HydrophobicContact CD1-CD1 4.46Å; L7-L47 HydrophobicContact CD2-CD1 3.32Å; L7-L47 HydrophobicContact CG-CD1 3.5Å; L7-L47 VanDerWaalsContact CG-CD1 3.5Å
8E56.6Low71.3Confident177 Ų17748.2 Ų48.283%0.82726%0.258SS*.THydrogen-bonded Turntrans-53.2-24.4-177.1-69.2-178.1159.600114.1
9N54.9Low71.5Confident156 Ų15646.1 Ų46.183%0.83425%0.246SC*.THydrogen-bonded Turntrans-96.42.1179.9-69.9-24.2000114.7L7L7-N9 PolarHBondContact O-N 3.32Å
10E59.2Low71.9Confident59 Ų5946.5 Ų46.528%0.27625%0.246SC..  trans-123.2112.3-176.4-66-168.1178.100112.3L7 I12 K268L7-E10 HydrophobicContact CB-CG 4.49Å; L7-E10 PolarHBondContact O-N 3.43Å; E10-I12 PolarHBondContact O-N 3.31Å; E10-K268 IonicContact OE1-NZ 3.12Å; E10-K268 PolarHBondContact OE1-NZ 3.41Å; E10-K268 IonicContact OE2-NZ 2.89Å; E10-K268 PolarHBondContact OE2-NZ 3.04Å
11P56.5Low72.2Confident98 Ų9844.5 Ų44.564%0.63624%0.235SC*.SBendtrans-75.6-20.8-174.627.8-33.7000114.1R44P11-R44 PolarHBondContact O-NH1 3.27Å; P11-R44 PolarHBondContact O-NH2 3.33Å
12I67.1Low72.1Confident76 Ų7643.9 Ų43.939%0.3923%0.228SC..SBendtrans-148.2125.6-178.3-50.4178.3000109.6E10 E16 L17E10-I12 PolarHBondContact O-N 3.31Å; I12-E16 HydrophobicContact CG2-CB 4.28Å; I12-E16 HydrophobicContact CG2-CG 4.41Å; I12-L17 HydrophobicContact CG2-CD1 4.13Å; I12-L17 HydrophobicContact CG2-CD2 3.93Å; I12-L17 HydrophobicContact CG2-CG 3.63Å
13S70.1Confident71.8Confident15 Ų1543.9 Ų43.911%0.10523%0.229CC..  trans-82.1153.1175.172.50000112.2E15 E16 L17S13-E15 PolarHBondContact O-N 3.11Å; S13-E16 WeakPolarHBondContact O-CB 3.43Å; S13-E16 PolarHBondContact O-N 2.89Å; S13-E16 VanDerWaalsContact O-N 3.14Å; S13-E16 WeakPolarHBondContact OG-CB 3.27Å; S13-E16 PolarHBondContact OG-N 2.92Å; S13-E16 VanDerWaalsContact OG-N 3.13Å; S13-L17 PolarHBondContact O-N 3Å; S13-L17 VanDerWaalsContact O-N 3.12Å
14V71.3Confident71.5Confident35 Ų3546.1 Ų46.121%0.21224%0.242CC..Hα-helixtrans-61-34.3175.5-1780000111.2L17 A18 W258 T279V14-L17 PolarHBondContact O-N 3.43Å; V14-A18 WeakPolarHBondContact O-CB 3.14Å; V14-A18 PolarHBondContact O-N 3.41Å; V14-W258 HydrophobicContact CG1-CZ2 4.33Å; V14-T279 WeakPolarHBondContact CG1-OG1 3.41Å
15E72.2Confident71.1Confident30 Ų3046.9 Ų46.914%0.1425%0.247CC..Hα-helixtrans-64.3-40.8175.5-64177.1-179.500111.4F4 S13 A18 F19 S72 R95 V282F4-E15 HydrophobicContact CD1-CB 4.03Å; F4-E15 HydrophobicContact CE1-CB 4.19Å; S13-E15 PolarHBondContact O-N 3.11Å; E15-A18 PolarHBondContact O-N 2.99Å; E15-F19 WeakPolarHBondContact O-CB 3.44Å; E15-F19 PolarHBondContact O-N 3.06Å; E15-S72 PolarHBondContact OE1-OG 3.5Å; E15-S72 PolarHBondContact OE2-OG 2.85Å; E15-R95 IonicContact OE1-CZ 3.14Å; E15-R95 IonicContact OE1-NE 2.72Å; E15-R95 PolarHBondContact OE1-NE 3.4Å; E15-R95 IonicContact OE1-NH2 3.85Å; E15-R95 PolarHBondContact OE1-NH2 3.33Å; E15-V282 HydrophobicContact CB-CG2 4.41Å
16E77Confident70.8Confident2 Ų246.3 Ų46.31%0.00925%0.245CC..Hα-helixtrans-63.6-44.3175-173.4-170.3144.900111.6F4 I12 S13 F19 K20 I42 R44F4-E16 HydrophobicContact CD2-CB 4.21Å; F4-E16 HydrophobicContact CD2-CG 4.23Å; F4-E16 HydrophobicContact CG-CB 4.27Å; I12-E16 HydrophobicContact CG2-CB 4.28Å; I12-E16 HydrophobicContact CG2-CG 4.41Å; S13-E16 WeakPolarHBondContact O-CB 3.43Å; S13-E16 PolarHBondContact O-N 2.89Å; S13-E16 VanDerWaalsContact O-N 3.14Å; S13-E16 WeakPolarHBondContact OG-CB 3.27Å; S13-E16 PolarHBondContact OG-N 2.92Å; S13-E16 VanDerWaalsContact OG-N 3.13Å; E16-F19 WeakPolarHBondContact O-CB 3.35Å; E16-F19 PolarHBondContact O-N 3.35Å; E16-K20 WeakPolarHBondContact O-CG 3.27Å; E16-K20 PolarHBondContact O-N 3.01Å; E16-K20 VanDerWaalsContact OE1-CE 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.18Å; E16-K20 IonicContact OE1-NZ 2.81Å; E16-K20 PolarHBondContact OE1-NZ 2.86Å; E16-I42 HydrophobicContact CG-CD1 4.05Å; E16-I42 HydrophobicContact CG-CG2 4.09Å; E16-R44 IonicContact OE1-CZ 3.14Å; E16-R44 IonicContact OE1-NE 3.13Å; E16-R44 IonicContact OE1-NH2 3.73Å; E16-R44 PolarHBondContact OE1-NH2 2.96Å; E16-R44 IonicContact OE2-CZ 2.64Å; E16-R44 IonicContact OE2-NE 2.75Å; E16-R44 PolarHBondContact OE2-NE 2.94Å; E16-R44 IonicContact OE2-NH2 3.37Å; E16-R44 PolarHBondContact OE2-NH2 3.27Å; E16-R44 VanDerWaalsContact OE2-NH2 3.12Å
17L76.8Confident71Confident59 Ų5948.1 Ų48.131%0.30925%0.253SS..Hα-helixtrans-63.7-44.1177.6-73.1167.8000111.6I12 S13 V14 F19 K20 F21 W258I12-L17 HydrophobicContact CG2-CD1 4.13Å; I12-L17 HydrophobicContact CG2-CD2 3.93Å; I12-L17 HydrophobicContact CG2-CG 3.63Å; S13-L17 PolarHBondContact O-N 3Å; S13-L17 VanDerWaalsContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 3.43Å; L17-F19 VanDerWaalsContact C-N 3.27Å; L17-F19 PolarHBondContact O-N 3.39Å; L17-K20 PolarHBondContact O-N 3.41Å; L17-F21 WeakPolarHBondContact O-CB 3.48Å; L17-F21 PolarHBondContact O-N 3.36Å; L17-W258 HydrophobicContact CB-CH2 3.7Å; L17-W258 HydrophobicContact CB-CZ3 4.33Å
18A74.2Confident71.4Confident0 Ų051.7 Ų51.70%026%0.26CS..Hα-helixtrans-64.6-34.9178.900000111.4V14 E15 A22 W258 M278 V282V14-A18 WeakPolarHBondContact O-CB 3.14Å; V14-A18 PolarHBondContact O-N 3.41Å; E15-A18 PolarHBondContact O-N 2.99Å; A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 3.17Å; A18-W258 HydrophobicContact CB-CH2 3.9Å; A18-W258 HydrophobicContact CB-CZ3 4.28Å; A18-M278 HydrophobicContact CB-CE 3.99Å; A18-M278 HydrophobicContact CB-SD 3.85Å; A18-V282 HydrophobicContact CB-CB 3.77Å; A18-V282 HydrophobicContact CB-CG2 3.74Å
19F76.3Confident72.2Confident8 Ų846.2 Ų46.24%0.03524%0.237CC..Hα-helixtrans-63.1-49.6172.5-171.4-113.7000112.2F4 E15 E16 L17 F21 A22 V23 Y40 I42 F69 V282 V286F4-F19 HydrophobicContact CE1-CB 4.41Å; F4-F19 HydrophobicContact CE2-CB 4.3Å; F4-F19 AromaticContact CE2-CD1 3.99Å; F4-F19 HydrophobicContact CE2-CD1 3.99Å; F4-F19 HydrophobicContact CE2-CG 4.22Å; F4-F19 HydrophobicContact CZ-CB 3.63Å; F4-F19 AromaticContact CZ-CD1 3.92Å; F4-F19 HydrophobicContact CZ-CD1 3.92Å; F4-F19 HydrophobicContact CZ-CD2 4.2Å; F4-F19 AromaticContact CZ-CG 3.67Å; F4-F19 HydrophobicContact CZ-CG 3.67Å; E15-F19 WeakPolarHBondContact O-CB 3.44Å; E15-F19 PolarHBondContact O-N 3.06Å; E16-F19 WeakPolarHBondContact O-CB 3.35Å; E16-F19 PolarHBondContact O-N 3.35Å; L17-F19 VanDerWaalsContact C-N 3.27Å; L17-F19 PolarHBondContact O-N 3.39Å; F19-F21 PolarHBondContact O-N 2.96Å; F19-A22 PolarHBondContact O-N 3.03Å; F19-V23 WeakPolarHBondContact O-CG2 3.43Å; F19-V23 PolarHBondContact O-N 3.44Å; F19-V23 VanDerWaalsContact O-N 3.13Å; F19-Y40 HydrophobicContact CE1-CG 4.26Å; F19-I42 HydrophobicContact CD1-CD1 4.3Å; F19-I42 HydrophobicContact CD1-CG1 4.31Å; F19-I42 HydrophobicContact CE1-CG1 4.39Å; F19-F69 HydrophobicContact CE2-CB 4.38Å; F19-F69 HydrophobicContact CE2-CD1 4.4Å; F19-F69 AromaticContact CE2-CD2 3.91Å; F19-F69 HydrophobicContact CE2-CD2 3.91Å; F19-F69 HydrophobicContact CE2-CE2 4.24Å; F19-F69 AromaticContact CE2-CG 3.99Å; F19-F69 HydrophobicContact CE2-CG 3.99Å; F19-F69 HydrophobicContact CZ-CD2 4.31Å; F19-V282 VanDerWaalsContact CA-CG1 3.43Å; F19-V282 HydrophobicContact CB-CG1 3.64Å; F19-V282 HydrophobicContact CD2-CG1 3.66Å; F19-V282 HydrophobicContact CG-CG1 4.14Å; F19-V286 HydrophobicContact CD2-CG2 4.28Å; F19-V286 HydrophobicContact CE2-CG2 4.13Å
20K78.9Confident72.8Confident55 Ų5548.8 Ų48.824%0.23923%0.234CC..Hα-helixtrans-60-46.3177.6-70.4179.5-174.2169.80111.3E16 L17 A22 V23 T24 Y40 I42E16-K20 WeakPolarHBondContact O-CG 3.27Å; E16-K20 PolarHBondContact O-N 3.01Å; E16-K20 VanDerWaalsContact OE1-CE 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.18Å; E16-K20 IonicContact OE1-NZ 2.81Å; E16-K20 PolarHBondContact OE1-NZ 2.86Å; L17-K20 PolarHBondContact O-N 3.41Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.29Å; K20-V23 PolarHBondContact O-N 3.09Å; K20-T24 WeakPolarHBondContact O-CG2 3.26Å; K20-T24 PolarHBondContact O-N 3.46Å; K20-T24 PolarHBondContact O-OG1 2.88Å; K20-Y40 HydrophobicContact CG-CE2 4.1Å; K20-I42 HydrophobicContact CD-CD1 4.19Å; K20-I42 HydrophobicContact CG-CD1 3.84Å
21F77.6Confident73.3Confident5 Ų551.5 Ų51.52%0.02226%0.255CS..Hα-helixtrans-58.8-43.2176.9177.1-107000112.7L17 F19 V23 T24 N25 V254 R257 W258 E261 M278L17-F21 WeakPolarHBondContact O-CB 3.48Å; L17-F21 PolarHBondContact O-N 3.36Å; F19-F21 PolarHBondContact O-N 2.96Å; F21-V23 PolarHBondContact O-N 3.07Å; F21-T24 WeakPolarHBondContact CA-OG1 3.37Å; F21-T24 PolarHBondContact O-N 3.41Å; F21-T24 PolarHBondContact O-OG1 2.98Å; F21-N25 WeakPolarHBondContact O-CB 3.4Å; F21-N25 PolarHBondContact O-N 2.93Å; F21-V254 HydrophobicContact CE1-CG1 4.21Å; F21-R257 HydrophobicContact CZ-CB 4.15Å; F21-W258 HydrophobicContact CB-CE3 3.78Å; F21-W258 HydrophobicContact CB-CZ3 3.55Å; F21-W258 AromaticContact CD1-CE3 3.71Å; F21-W258 HydrophobicContact CD1-CE3 3.71Å; F21-W258 HydrophobicContact CD1-CZ3 4.27Å; F21-W258 HydrophobicContact CD2-CE3 4.01Å; F21-W258 HydrophobicContact CE1-CB 4.09Å; F21-W258 HydrophobicContact CE1-CE3 4.2Å; F21-W258 HydrophobicContact CE2-CE3 4.49Å; F21-W258 AromaticContact CG-CE3 3.56Å; F21-W258 HydrophobicContact CG-CE3 3.56Å; F21-W258 AromaticContact CG-CZ3 3.91Å; F21-W258 HydrophobicContact CG-CZ3 3.91Å; F21-W258 HydrophobicContact CZ-CB 4.02Å; F21-E261 WeakPolarHBondContact CD2-OE2 3.36Å; F21-E261 HydrophobicContact CE2-CG 4.31Å; F21-M278 HydrophobicContact CD1-CE 3.31Å; F21-M278 HydrophobicContact CE1-CE 3.78Å; F21-M278 HydrophobicContact CG-CE 4.19Å
22A74.3Confident73.5Confident0 Ų048.2 Ų48.20%023%0.232CC..Hα-helixtrans-60.3-47.4178.200000111.3A18 F19 K20 N25 I26 N283 V286A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 3.17Å; F19-A22 PolarHBondContact O-N 3.03Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.29Å; A22-N25 PolarHBondContact O-N 3.44Å; A22-I26 WeakPolarHBondContact O-CB 3.38Å; A22-I26 WeakPolarHBondContact O-CD1 3.49Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 2.89Å; A22-N283 WeakPolarHBondContact CA-OD1 3.43Å; A22-N283 WeakPolarHBondContact CB-OD1 3.4Å; A22-V286 HydrophobicContact CB-CB 4.3Å; A22-V286 HydrophobicContact CB-CG2 4Å
23V75.4Confident73.4Confident1 Ų145.3 Ų45.31%0.00622%0.217CC..Hα-helixtrans-64.6-45.7179.6176.60000111.7F19 K20 F21 I26 N27 L38 Y40 V286F19-V23 WeakPolarHBondContact O-CG2 3.43Å; F19-V23 PolarHBondContact O-N 3.44Å; F19-V23 VanDerWaalsContact O-N 3.13Å; K20-V23 PolarHBondContact O-N 3.09Å; F21-V23 PolarHBondContact O-N 3.07Å; V23-I26 PolarHBondContact O-N 2.94Å; V23-N27 WeakPolarHBondContact CG1-ND2 3.28Å; V23-N27 WeakPolarHBondContact O-CB 3.46Å; V23-N27 PolarHBondContact O-N 2.96Å; V23-N27 PolarHBondContact O-ND2 3.36Å; V23-L38 HydrophobicContact CB-CD2 4.18Å; V23-L38 HydrophobicContact CG1-CB 4.2Å; V23-L38 HydrophobicContact CG1-CD2 3.45Å; V23-L38 VanDerWaalsContact CG1-CD2 3.45Å; V23-L38 HydrophobicContact CG1-CG 4.34Å; V23-L38 HydrophobicContact CG2-CD2 3.69Å; V23-Y40 HydrophobicContact CB-CD1 3.93Å; V23-Y40 HydrophobicContact CB-CE1 4.31Å; V23-Y40 HydrophobicContact CG1-CD1 3.71Å; V23-Y40 HydrophobicContact CG1-CE1 4.18Å; V23-Y40 HydrophobicContact CG2-CD1 4.03Å; V23-V286 HydrophobicContact CG2-CG1 3.98Å
24T79Confident73.2Confident47 Ų4748.8 Ų48.829%0.28824%0.24SC..Hα-helixtrans-65-41.218055.60000111.7K20 F21 N27 R28K20-T24 WeakPolarHBondContact O-CG2 3.26Å; K20-T24 PolarHBondContact O-N 3.46Å; K20-T24 PolarHBondContact O-OG1 2.88Å; F21-T24 WeakPolarHBondContact CA-OG1 3.37Å; F21-T24 PolarHBondContact O-N 3.41Å; F21-T24 PolarHBondContact O-OG1 2.98Å; T24-N27 PolarHBondContact O-N 3.45Å; T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.26Å; T24-R28 WeakPolarHBondContact O-CG 3.35Å; T24-R28 PolarHBondContact O-N 3.41Å
25N76.2Confident73.3Confident27 Ų2754.1 Ų54.114%0.14427%0.267CS..Hα-helixtrans-65.8-39.1178.8-1653.8000111.9F21 A22 N29 R257F21-N25 WeakPolarHBondContact O-CB 3.4Å; F21-N25 PolarHBondContact O-N 2.93Å; A22-N25 PolarHBondContact O-N 3.44Å; N25-N29 PolarHBondContact O-N 2.91Å; N25-R257 PolarHBondContact ND2-NH1 3.08Å; N25-R257 PolarHBondContact OD1-NH1 3.36Å
26I72.8Confident73.2Confident7 Ų755.4 Ų55.44%0.03628%0.277CS..Hα-helixtrans-67.2-47.3174.8-70.7163.6000111.1A22 V23 R28 N29 M33 V286 F287A22-I26 WeakPolarHBondContact O-CB 3.38Å; A22-I26 WeakPolarHBondContact O-CD1 3.49Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 2.89Å; V23-I26 PolarHBondContact O-N 2.94Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 2.82Å; I26-N29 PolarHBondContact O-N 3.22Å; I26-M33 HydrophobicContact CG2-CE 3.4Å; I26-M33 VanDerWaalsContact CG2-CE 3.4Å; I26-V286 HydrophobicContact CD1-CB 3.57Å; I26-V286 HydrophobicContact CD1-CG1 3.41Å; I26-V286 VanDerWaalsContact CD1-CG1 3.41Å; I26-F287 HydrophobicContact CD1-CB 4.2Å; I26-F287 HydrophobicContact CD1-CD2 4.04Å; I26-F287 HydrophobicContact CG1-CD2 3.76Å; I26-F287 HydrophobicContact CG1-CE2 4.33Å
27N76.5Confident73.2Confident57 Ų5761.1 Ų61.131%0.30531%0.312SS..Hα-helixtrans-64.3-30.7178.4-76.3-24.2000112.8V23 T24 N29 L38V23-N27 WeakPolarHBondContact CG1-ND2 3.28Å; V23-N27 WeakPolarHBondContact O-CB 3.46Å; V23-N27 PolarHBondContact O-N 2.96Å; V23-N27 PolarHBondContact O-ND2 3.36Å; T24-N27 PolarHBondContact O-N 3.45Å; N27-N29 VanDerWaalsContact C-N 3.29Å; N27-L38 PolarHBondContact ND2-O 3.44Å; N27-L38 WeakPolarHBondContact OD1-CB 3.48Å; N27-L38 PolarHBondContact OD1-N 2.95Å
28R77.5Confident73Confident171 Ų17159.3 Ų59.365%0.64530%0.302SS*.Hα-helixtrans-65.9-32.4172.4-79.6174.6178.5162.9-2111.6T24 I26 R30 E261T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.26Å; T24-R28 WeakPolarHBondContact O-CG 3.35Å; T24-R28 PolarHBondContact O-N 3.41Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 2.82Å; R28-R30 PolarHBondContact O-N 2.94Å; R28-E261 IonicContact CZ-OE1 3.81Å; R28-E261 IonicContact NH1-OE1 2.87Å; R28-E261 PolarHBondContact NH1-OE1 3.2Å; R28-E261 IonicContact NH2-OE1 3.09Å
29N73Confident73.4Confident63 Ų6365.2 Ų65.234%0.33734%0.339SS..  trans-8785-178.8-167.7-2.2000112.3N25 I26 N27 T31 L32N25-N29 PolarHBondContact O-N 2.91Å; I26-N29 PolarHBondContact O-N 3.22Å; N27-N29 VanDerWaalsContact C-N 3.29Å; N29-T31 VanDerWaalsContact CG-OG1 3.31Å; N29-T31 PolarHBondContact ND2-OG1 3.15Å; N29-T31 PolarHBondContact O-N 3.37Å; N29-T31 WeakPolarHBondContact OD1-CB 3.34Å; N29-T31 PolarHBondContact OD1-N 3.35Å; N29-T31 PolarHBondContact OD1-OG1 3.33Å; N29-L32 HydrophobicContact CB-CD1 3.9Å; N29-L32 HydrophobicContact CB-CG 4.23Å; N29-L32 PolarHBondContact O-N 3.26Å
30R67.8Low73.8Confident209 Ų20969.5 Ų69.579%0.78936%0.356SS*.THydrogen-bonded Turntrans-61.8-10.8179.8-65.5-168.9177-172.2-0.4115.1R28 L32R28-R30 PolarHBondContact O-N 2.94Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.44Å
31T68.1Low74.1Confident116 Ų11669.2 Ų69.271%0.71236%0.356SS*.THydrogen-bonded Turntrans-70.1-24.917366.20000112.8N29N29-T31 VanDerWaalsContact CG-OG1 3.31Å; N29-T31 PolarHBondContact ND2-OG1 3.15Å; N29-T31 PolarHBondContact O-N 3.37Å; N29-T31 WeakPolarHBondContact OD1-CB 3.34Å; N29-T31 PolarHBondContact OD1-N 3.35Å; N29-T31 PolarHBondContact OD1-OG1 3.33Å
32L62.2Low74.5Confident29 Ų2970.6 Ų70.615%0.15236%0.364CS..THydrogen-bonded Turntrans-87.7-36.9-175.8-56.3172.6000112N29 R30 F287 L291N29-L32 HydrophobicContact CB-CD1 3.9Å; N29-L32 HydrophobicContact CB-CG 4.23Å; N29-L32 PolarHBondContact O-N 3.26Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-L32 PolarHBondContact O-N 3.44Å; L32-F287 HydrophobicContact CD1-CD2 4.35Å; L32-F287 HydrophobicContact CD1-CE1 4.38Å; L32-F287 HydrophobicContact CD1-CE2 3.51Å; L32-F287 HydrophobicContact CD1-CZ 3.53Å; L32-F287 HydrophobicContact CD2-CE1 4.32Å; L32-F287 HydrophobicContact CD2-CZ 3.95Å; L32-F287 HydrophobicContact CG-CZ 4.43Å; L32-L291 HydrophobicContact CB-CD1 3.96Å; L32-L291 HydrophobicContact CD2-CD1 3.73Å; L32-L291 HydrophobicContact CG-CD1 4.24Å
33M63.6Low75.2Confident16 Ų1672 Ų728%0.07937%0.371CS..  trans-146.394.1-179.1-71.5-173.6-70.200110.8I26 L38 M290I26-M33 HydrophobicContact CG2-CE 3.4Å; I26-M33 VanDerWaalsContact CG2-CE 3.4Å; M33-L38 HydrophobicContact CE-CB 4.35Å; M33-M290 HydrophobicContact CE-CB 4.44Å; M33-M290 HydrophobicContact CE-CG 4.36Å; M33-M290 HydrophobicContact CE-SD 4.1Å; M33-M290 HydrophobicContact SD-CB 3.86Å; M33-M290 HydrophobicContact SD-CG 3.4Å; M33-M290 WeakPolarHBondContact SD-CG 3.3Å; M33-M290 HydrophobicContact SD-SD 3.61Å; M33-M290 VanDerWaalsContact SD-SD 3.61Å
34P66.6Low75.8Confident88 Ų8876.6 Ų76.657%0.57139%0.388SS*.SBendtrans-75-30.8-177.826.8-32.8000113.5
35N73.6Confident76.2Confident146 Ų14674.5 Ų74.578%0.78137%0.374SS*.SBendtrans-116.1-1.6-169.3-66.7-12.7000114.7
36T69.3Low76.5Confident58 Ų5876.6 Ų76.636%0.35639%0.386SS..  trans-130137.1-176.245.40000110.7H294T36-H294 PolarHBondContact OG1-CE1 2.86Å
37T77Confident76.7Confident122 Ų12279.2 Ų79.275%0.74840%0.399SS*.  trans-109.7132.4174.852.20000110
38L73.3Confident76.8Confident20 Ų2083.2 Ų83.211%0.10541%0.414CS..  trans-84.8119.4178.6-162.6159.2000109.1V23 N27 M33 V286 M290V23-L38 HydrophobicContact CB-CD2 4.18Å; V23-L38 HydrophobicContact CG1-CB 4.2Å; V23-L38 HydrophobicContact CG1-CD2 3.45Å; V23-L38 VanDerWaalsContact CG1-CD2 3.45Å; V23-L38 HydrophobicContact CG1-CG 4.34Å; V23-L38 HydrophobicContact CG2-CD2 3.69Å; N27-L38 PolarHBondContact ND2-O 3.44Å; N27-L38 WeakPolarHBondContact OD1-CB 3.48Å; N27-L38 PolarHBondContact OD1-N 2.95Å; M33-L38 HydrophobicContact CE-CB 4.35Å; L38-V286 HydrophobicContact CD1-CG1 3.64Å; L38-M290 HydrophobicContact CB-CE 4.42Å; L38-M290 HydrophobicContact CB-SD 3.86Å; L38-M290 HydrophobicContact CD1-CB 4.45Å; L38-M290 HydrophobicContact CD1-CE 3.31Å; L38-M290 HydrophobicContact CD1-SD 3.4Å; L38-M290 WeakPolarHBondContact CD1-SD 3.48Å; L38-M290 HydrophobicContact CG-CE 3.52Å; L38-M290 HydrophobicContact CG-SD 3.6Å; L38-M290 VanDerWaalsContact CG-SD 3.6Å
39T82.4Confident77.2Confident125 Ų12577.8 Ų77.877%0.76740%0.398SS*.  trans-102.5153.3170.457.60000110.3
40Y83.9Confident77.9Confident98 Ų9877 Ų7738%0.38440%0.398SS..  trans-128.8149176.359.2-99.5000111F19 K20 V23 I42F19-Y40 HydrophobicContact CE1-CG 4.26Å; K20-Y40 HydrophobicContact CG-CE2 4.1Å; V23-Y40 HydrophobicContact CB-CD1 3.93Å; V23-Y40 HydrophobicContact CB-CE1 4.31Å; V23-Y40 HydrophobicContact CG1-CD1 3.71Å; V23-Y40 HydrophobicContact CG1-CE1 4.18Å; V23-Y40 HydrophobicContact CG2-CD1 4.03Å; Y40-I42 HydrophobicContact CD2-CD1 3.56Å; Y40-I42 HydrophobicContact CD2-CG1 3.79Å; Y40-I42 HydrophobicContact CE2-CD1 3.54Å; Y40-I42 HydrophobicContact CE2-CG1 4.25Å
41D85.8Confident78.8Confident48 Ų4874.5 Ų74.526%0.25739%0.393SS..  trans-117.8134.5166.317869.6000107.8G1 G2 Q43 Q60G1-D41 CarbonylContact C-O 3.59Å; G1-D41 VanDerWaalsContact CA-O 3.29Å; G1-D41 WeakPolarHBondContact CA-O 3.35Å; G2-D41 PolarHBondContact N-O 3.41Å; D41-Q43 PolarHBondContact OD2-NE2 3.47Å; D41-Q60 PolarHBondContact O-NE2 2.84Å; D41-Q60 VanDerWaalsContact OD2-CG 3.27Å; D41-Q60 WeakPolarHBondContact OD2-CG 3.34Å; D41-Q60 PolarHBondContact OD2-NE2 3.44Å
42I86.9Confident79.8Confident35 Ų3570.9 Ų70.918%0.17937%0.368CS..EExtended strand (participates in β ladder)trans-121.4122.3-176-70168.8000108.8G2 F4 E16 F19 K20 Y40G2-I42 WeakPolarHBondContact O-CA 3.38Å; F4-I42 HydrophobicContact CD2-CG2 3.97Å; F4-I42 HydrophobicContact CE2-CG1 4.26Å; F4-I42 HydrophobicContact CE2-CG2 4.37Å; E16-I42 HydrophobicContact CG-CD1 4.05Å; E16-I42 HydrophobicContact CG-CG2 4.09Å; F19-I42 HydrophobicContact CD1-CD1 4.3Å; F19-I42 HydrophobicContact CD1-CG1 4.31Å; F19-I42 HydrophobicContact CE1-CG1 4.39Å; K20-I42 HydrophobicContact CD-CD1 4.19Å; K20-I42 HydrophobicContact CG-CD1 3.84Å; Y40-I42 HydrophobicContact CD2-CD1 3.56Å; Y40-I42 HydrophobicContact CD2-CG1 3.79Å; Y40-I42 HydrophobicContact CE2-CD1 3.54Å; Y40-I42 HydrophobicContact CE2-CG1 4.25Å
43Q88Confident81Confident30 Ų3069.5 Ų69.514%0.1436%0.361CS..EExtended strand (participates in β ladder)trans-112.1135.4173.5-60-63.8-3000109.2G2 I3 F4 D41 R56 Q60G2-Q43 PolarHBondContact O-N 3.47Å; I3-Q43 WeakPolarHBondContact CA-O 3.39Å; I3-Q43 HydrophobicContact CG1-CB 4.47Å; F4-Q43 PolarHBondContact N-O 3.09Å; D41-Q43 PolarHBondContact OD2-NE2 3.47Å; Q43-R56 HydrophobicContact CB-CB 3.84Å; Q43-R56 HydrophobicContact CB-CG 4.08Å; Q43-R56 HydrophobicContact CG-CB 4.06Å; Q43-Q60 HydrophobicContact CG-CG 3.89Å
44R87.8Confident82.2Confident97 Ų9770 Ų7037%0.36637%0.366SS..EExtended strand (participates in β ladder)trans-106.9136.6176.5-64.2178.2-177.9163.70.2109.2F4 T6 P11 E16 R56F4-R44 WeakPolarHBondContact O-CA 3.45Å; T6-R44 HydrophobicContact CG2-CG 4.42Å; P11-R44 PolarHBondContact O-NH1 3.27Å; P11-R44 PolarHBondContact O-NH2 3.33Å; E16-R44 IonicContact OE1-CZ 3.14Å; E16-R44 IonicContact OE1-NE 3.13Å; E16-R44 IonicContact OE1-NH2 3.73Å; E16-R44 PolarHBondContact OE1-NH2 2.96Å; E16-R44 IonicContact OE2-CZ 2.64Å; E16-R44 IonicContact OE2-NE 2.75Å; E16-R44 PolarHBondContact OE2-NE 2.94Å; E16-R44 IonicContact OE2-NH2 3.37Å; E16-R44 PolarHBondContact OE2-NH2 3.27Å; E16-R44 VanDerWaalsContact OE2-NH2 3.12Å; R44-R56 PolarHBondContact O-NH2 3.23Å
45I87.6Confident83.3Confident2 Ų273.7 Ų73.71%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-133.8157.8-179.660.8167.2000110.7I3 F4 E5 T6 E52 A53 R56 P71I3-I45 HydrophobicContact CG2-CD1 3.71Å; I3-I45 HydrophobicContact CG2-CG1 4Å; I3-I45 HydrophobicContact CG2-CG2 4.07Å; F4-I45 PolarHBondContact O-N 3.41Å; E5-I45 WeakPolarHBondContact CA-O 3.44Å; E5-I45 HydrophobicContact CB-CG1 4.48Å; E5-I45 HydrophobicContact CG-CD1 3.7Å; E5-I45 HydrophobicContact CG-CG1 3.65Å; T6-I45 PolarHBondContact N-O 3.48Å; I45-E52 WeakPolarHBondContact CA-OE2 3.24Å; I45-E52 HydrophobicContact CB-CG 4.32Å; I45-E52 HydrophobicContact CG2-CB 4.35Å; I45-E52 HydrophobicContact CG2-CG 3.86Å; I45-A53 HydrophobicContact CD1-CB 3.59Å; I45-R56 HydrophobicContact CG2-CB 4.33Å; I45-R56 HydrophobicContact CG2-CG 3.64Å; I45-P71 HydrophobicContact CD1-CB 4Å
46N83.9Confident84.1Confident71 Ų7170 Ų7038%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-72.6150.6171.7-74.6-24.6000112.1D49 E52N46-D49 HydrophobicContact CB-CB 4.37Å; N46-D49 PolarHBondContact O-N 3.36Å; N46-E52 PolarHBondContact N-OE2 3.07Å
47L75.6Confident84.9Confident62 Ų6267.3 Ų67.333%0.32533%0.327SS..THydrogen-bonded Turntrans-60.4139.2171.9-88.7147.3000110.6E5 L7 D49E5-L47 HydrophobicContact CB-CD2 4.4Å; E5-L47 HydrophobicContact CB-CG 4.23Å; L7-L47 HydrophobicContact CD1-CD1 4.46Å; L7-L47 HydrophobicContact CD2-CD1 3.32Å; L7-L47 HydrophobicContact CG-CD1 3.5Å; L7-L47 VanDerWaalsContact CG-CD1 3.5Å; L47-D49 PolarHBondContact O-N 2.99Å
48F78.8Confident85.4Confident141 Ų14164.5 Ų64.562%0.61831%0.311SS*.THydrogen-bonded Turntrans68.51180-48.3-81.9000116.4S50 H73F48-S50 PolarHBondContact O-N 2.95Å; F48-H73 AromaticContact CD1-CD2 3.63Å; F48-H73 AromaticContact CD1-CE1 3.47Å; F48-H73 VanDerWaalsContact CD1-CE1 3.47Å; F48-H73 WeakPolarHBondContact CD1-CE1 3.35Å; F48-H73 AromaticContact CD1-ND1 3.9Å; F48-H73 AromaticContact CD1-NE2 3.31Å; F48-H73 VanDerWaalsContact CD1-NE2 3.31Å; F48-H73 WeakPolarHBondContact CD1-NE2 3.41Å; F48-H73 AromaticContact CE1-CD2 3.43Å; F48-H73 VanDerWaalsContact CE1-CD2 3.43Å; F48-H73 WeakPolarHBondContact CE1-CD2 3.35Å; F48-H73 AromaticContact CE1-CE1 3.76Å; F48-H73 AromaticContact CE1-NE2 3.1Å; F48-H73 WeakPolarHBondContact CE1-NE2 3.4Å
49D85.9Confident86Confident58 Ų5867 Ų6731%0.3133%0.325SS..  trans-91.787.1178.2-164.2-20.1000112.7N46 L47 F51 E52 A53N46-D49 HydrophobicContact CB-CB 4.37Å; N46-D49 PolarHBondContact O-N 3.36Å; L47-D49 PolarHBondContact O-N 2.99Å; D49-F51 VanDerWaalsContact C-N 3.25Å; D49-F51 PolarHBondContact O-N 3.26Å; D49-F51 WeakPolarHBondContact OD1-CB 3.21Å; D49-F51 PolarHBondContact OD1-N 3.06Å; D49-E52 HydrophobicContact CB-CB 4.09Å; D49-E52 PolarHBondContact OD1-N 3Å; D49-A53 PolarHBondContact O-N 3.45Å; D49-A53 VanDerWaalsContact O-N 3.15Å
50S87.2Confident86.1Confident47 Ų4761 Ų6133%0.32929%0.288SS..Hα-helixtrans-67.3-23.1176.364.20000114.1F48 S54F48-S50 PolarHBondContact O-N 2.95Å; S50-S54 WeakPolarHBondContact O-CB 3.41Å; S50-S54 PolarHBondContact O-N 3.17Å; S50-S54 VanDerWaalsContact O-N 3.08Å; S50-S54 PolarHBondContact O-OG 3.26Å
51F87.8Confident85.9Confident155 Ų15557.8 Ų57.868%0.6828%0.278SS*.Hα-helixtrans-76.3-44.9179.7177-100.5000110.3D49 A53 S54 R55D49-F51 VanDerWaalsContact C-N 3.25Å; D49-F51 PolarHBondContact O-N 3.26Å; D49-F51 WeakPolarHBondContact OD1-CB 3.21Å; D49-F51 PolarHBondContact OD1-N 3.06Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.85Å; F51-S54 WeakPolarHBondContact O-CB 3.37Å; F51-S54 PolarHBondContact O-N 2.9Å; F51-R55 PolarHBondContact O-N 3.29Å
52E89.1Confident85.6Confident40 Ų4059.9 Ų59.919%0.18730%0.301CS..Hα-helixtrans-60.5-44.9173-164.5-176.1-171.200110.7I45 N46 D49 S54 R55 R56I45-E52 WeakPolarHBondContact CA-OE2 3.24Å; I45-E52 HydrophobicContact CB-CG 4.32Å; I45-E52 HydrophobicContact CG2-CB 4.35Å; I45-E52 HydrophobicContact CG2-CG 3.86Å; N46-E52 PolarHBondContact N-OE2 3.07Å; D49-E52 HydrophobicContact CB-CB 4.09Å; D49-E52 PolarHBondContact OD1-N 3Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.39Å; E52-R55 PolarHBondContact O-N 3.13Å; E52-R56 HydrophobicContact CG-CG 4.32Å; E52-R56 WeakPolarHBondContact O-CG 3.48Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 IonicContact OE1-CZ 3.02Å; E52-R56 IonicContact OE1-NE 2.69Å; E52-R56 IonicContact OE1-NH2 3.55Å; E52-R56 PolarHBondContact OE1-NH2 3.24Å
53A87.9Confident85.4Confident0 Ų064 Ų640%032%0.323CS..Hα-helixtrans-54.4-44.1175.100000112.5I45 D49 F51 A57 V80I45-A53 HydrophobicContact CD1-CB 3.59Å; D49-A53 PolarHBondContact O-N 3.45Å; D49-A53 VanDerWaalsContact O-N 3.15Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-A53 PolarHBondContact O-N 2.85Å; A53-A57 WeakPolarHBondContact O-CB 3.29Å; A53-A57 PolarHBondContact O-N 3.49Å; A53-V80 HydrophobicContact CB-CG2 4.12Å
54S88.5Confident84.7Confident28 Ų2865.5 Ų65.520%0.19635%0.347CS..Hα-helixtrans-64.1-45.2178.4-60.20000112S50 F51 E52 A57 C58 A79S50-S54 WeakPolarHBondContact O-CB 3.41Å; S50-S54 PolarHBondContact O-N 3.17Å; S50-S54 VanDerWaalsContact O-N 3.08Å; S50-S54 PolarHBondContact O-OG 3.26Å; F51-S54 WeakPolarHBondContact O-CB 3.37Å; F51-S54 PolarHBondContact O-N 2.9Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.39Å; S54-A57 PolarHBondContact O-N 3.46Å; S54-C58 PolarHBondContact O-N 3.33Å; S54-C58 PolarHBondContact O-SG 3Å; S54-C58 VanDerWaalsContact O-SG 3.4Å; S54-A79 WeakPolarHBondContact OG-CB 3.42Å
55R89.9Confident84.2Confident164 Ų16462.3 Ų62.362%0.61934%0.339SS*.Hα-helixtrans-61.8-48.6178.2-176.4179.3176-1790.4111.5F51 E52 A57 C58 D59F51-R55 PolarHBondContact O-N 3.29Å; E52-R55 PolarHBondContact O-N 3.13Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.44Å; R55-C58 WeakPolarHBondContact O-CB 3.48Å; R55-C58 PolarHBondContact O-N 2.91Å; R55-C58 VanDerWaalsContact O-N 3.14Å; R55-D59 PolarHBondContact O-N 3.31Å
56R89.4Confident83.4Confident70 Ų7064.6 Ų64.626%0.26436%0.362SS..Hα-helixtrans-63.6-34.7178.1-62-51.7-175.7118.28.8112.4Q43 R44 I45 E52 D59 Q60Q43-R56 HydrophobicContact CB-CB 3.84Å; Q43-R56 HydrophobicContact CB-CG 4.08Å; Q43-R56 HydrophobicContact CG-CB 4.06Å; R44-R56 PolarHBondContact O-NH2 3.23Å; I45-R56 HydrophobicContact CG2-CB 4.33Å; I45-R56 HydrophobicContact CG2-CG 3.64Å; E52-R56 HydrophobicContact CG-CG 4.32Å; E52-R56 WeakPolarHBondContact O-CG 3.48Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 IonicContact OE1-CZ 3.02Å; E52-R56 IonicContact OE1-NE 2.69Å; E52-R56 IonicContact OE1-NH2 3.55Å; E52-R56 PolarHBondContact OE1-NH2 3.24Å; R56-D59 PolarHBondContact O-N 3.28Å; R56-Q60 WeakPolarHBondContact O-CG 3.37Å; R56-Q60 PolarHBondContact O-N 3.33Å
57A86.3Confident83.1Confident0 Ų061.5 Ų61.50%035%0.347CS..Hα-helixtrans-63.7-44.1172.800000111.5I3 A53 S54 R55 D59 Q60 L61 V80I3-A57 HydrophobicContact CD1-CB 3.79Å; A53-A57 WeakPolarHBondContact O-CB 3.29Å; A53-A57 PolarHBondContact O-N 3.49Å; S54-A57 PolarHBondContact O-N 3.46Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.44Å; A57-D59 VanDerWaalsContact C-N 3.34Å; A57-D59 PolarHBondContact O-N 3.44Å; A57-Q60 PolarHBondContact O-N 2.77Å; A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 WeakPolarHBondContact O-CD1 3.4Å; A57-L61 WeakPolarHBondContact O-CG 3.39Å; A57-L61 PolarHBondContact O-N 3.27Å; A57-V80 HydrophobicContact CB-CG1 4.33Å; A57-V80 HydrophobicContact CB-CG2 4.14Å
58C86.4Confident83.4Confident63 Ų6358.6 Ų58.643%0.42633%0.331SS..Hα-helixtrans-60.3-41.3174.2-69.20000112.4S54 R55 Q60 L61 A62S54-C58 PolarHBondContact O-N 3.33Å; S54-C58 PolarHBondContact O-SG 3Å; S54-C58 VanDerWaalsContact O-SG 3.4Å; R55-C58 WeakPolarHBondContact O-CB 3.48Å; R55-C58 PolarHBondContact O-N 2.91Å; R55-C58 VanDerWaalsContact O-N 3.14Å; C58-Q60 PolarHBondContact O-N 3.02Å; C58-L61 PolarHBondContact O-N 3.18Å; C58-A62 WeakPolarHBondContact O-CB 3.12Å; C58-A62 PolarHBondContact O-N 2.97Å
59D86.9Confident83.7Confident72 Ų7252.8 Ų52.839%0.38531%0.306SS..Hα-helixtrans-61.5-44176.8-63.7-29.2000111.4R55 R56 A57 L61 A62 L63R55-D59 PolarHBondContact O-N 3.31Å; R56-D59 PolarHBondContact O-N 3.28Å; A57-D59 VanDerWaalsContact C-N 3.34Å; A57-D59 PolarHBondContact O-N 3.44Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3Å; D59-A62 PolarHBondContact O-N 3.48Å; D59-L63 WeakPolarHBondContact O-CG 3.5Å; D59-L63 PolarHBondContact O-N 3.13Å; D59-L63 VanDerWaalsContact O-N 3.12Å
60Q84.1Confident83.2Confident0 Ų050.3 Ų50.30%030%0.295CS..Hα-helixtrans-65-37.1175.6-74.6-171-18.300112.9G1 G2 D41 Q43 R56 A57 C58 L63 G64 V65G1-Q60 VanDerWaalsContact CA-CD 3.44Å; G1-Q60 VanDerWaalsContact CA-NE2 3.29Å; G1-Q60 VanDerWaalsContact CA-OE1 3.29Å; G2-Q60 PolarHBondContact O-NE2 3.2Å; G2-Q60 VanDerWaalsContact O-NE2 3.16Å; D41-Q60 PolarHBondContact O-NE2 2.84Å; D41-Q60 VanDerWaalsContact OD2-CG 3.27Å; D41-Q60 WeakPolarHBondContact OD2-CG 3.34Å; D41-Q60 PolarHBondContact OD2-NE2 3.44Å; Q43-Q60 HydrophobicContact CG-CG 3.89Å; R56-Q60 WeakPolarHBondContact O-CG 3.37Å; R56-Q60 PolarHBondContact O-N 3.33Å; A57-Q60 PolarHBondContact O-N 2.77Å; C58-Q60 PolarHBondContact O-N 3.02Å; Q60-L63 WeakPolarHBondContact O-CB 3.3Å; Q60-L63 PolarHBondContact O-N 3.06Å; Q60-G64 PolarHBondContact O-N 3.03Å; Q60-V65 HydrophobicContact CB-CG1 4.18Å; Q60-V65 HydrophobicContact CB-CG2 4.11Å; Q60-V65 VanDerWaalsContact O-CG1 3.32Å; Q60-V65 WeakPolarHBondContact O-CG1 3.5Å; Q60-V65 WeakPolarHBondContact O-CG2 3.41Å; Q60-V65 PolarHBondContact O-N 3.11Å
61L80.8Confident83Confident30 Ų3048.2 Ų48.216%0.15728%0.28CS..Hα-helixtrans-72.1-34.6177.8-68.6169.4000111.7A57 C58 D59 L63 G64 V65 V68 I83 L87 V89A57-L61 WeakPolarHBondContact O-CB 3.34Å; A57-L61 WeakPolarHBondContact O-CD1 3.4Å; A57-L61 WeakPolarHBondContact O-CG 3.39Å; A57-L61 PolarHBondContact O-N 3.27Å; C58-L61 PolarHBondContact O-N 3.18Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 3.46Å; L61-G64 PolarHBondContact O-N 2.87Å; L61-V65 HydrophobicContact CD2-CG2 4.17Å; L61-V68 HydrophobicContact CD2-CG2 4.32Å; L61-I83 HydrophobicContact CD1-CG2 3.62Å; L61-L87 HydrophobicContact CD1-CD1 3.6Å; L61-V89 HydrophobicContact CD2-CB 3.98Å; L61-V89 HydrophobicContact CD2-CG1 3.88Å; L61-V89 HydrophobicContact CD2-CG2 3.62Å
62A78.8Confident82.4Confident92 Ų9241.3 Ų41.376%0.7625%0.251SS*.Hα-helixtrans-64.3-33.4172.300000112.3C58 D59 G64C58-A62 WeakPolarHBondContact O-CB 3.12Å; C58-A62 PolarHBondContact O-N 2.97Å; D59-A62 PolarHBondContact O-N 3.48Å; A62-G64 PolarHBondContact O-N 2.88Å
63L82.4Confident81.9Confident121 Ų12141.9 Ų41.963%0.63425%0.253SS*.THydrogen-bonded Turntrans-69.5-16.1171.2-73.8162.8000113.4D59 Q60 L61D59-L63 WeakPolarHBondContact O-CG 3.5Å; D59-L63 PolarHBondContact O-N 3.13Å; D59-L63 VanDerWaalsContact O-N 3.12Å; Q60-L63 WeakPolarHBondContact O-CB 3.3Å; Q60-L63 PolarHBondContact O-N 3.06Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 3.46Å
64G74.3Confident81.5Confident63 Ų6344.5 Ų44.565%0.64927%0.271SS*.THydrogen-bonded Turntrans81.245.6179.800000114.2Q60 L61 A62Q60-G64 PolarHBondContact O-N 3.03Å; L61-G64 PolarHBondContact O-N 2.87Å; A62-G64 PolarHBondContact O-N 2.88Å
65V77.3Confident81.1Confident30 Ų3045.1 Ų45.118%0.18228%0.276CS..  trans-70.1141.9175.4-64.30000112.8Q60 L61 V68Q60-V65 HydrophobicContact CB-CG1 4.18Å; Q60-V65 HydrophobicContact CB-CG2 4.11Å; Q60-V65 VanDerWaalsContact O-CG1 3.32Å; Q60-V65 WeakPolarHBondContact O-CG1 3.5Å; Q60-V65 WeakPolarHBondContact O-CG2 3.41Å; Q60-V65 PolarHBondContact O-N 3.11Å; L61-V65 HydrophobicContact CD2-CG2 4.17Å; V65-V68 HydrophobicContact CG2-CG2 3.92Å
66G70.6Confident81Confident49 Ų4937.3 Ų37.351%0.50525%0.247SC..SBendtrans-74-30.217700000114.9P90 Y289G66-P90 WeakPolarHBondContact O-CG 3.41Å; G66-Y289 PolarHBondContact O-OH 2.94Å
67A76.6Confident80.8Confident7 Ų734.4 Ų34.46%0.05824%0.236CC..  trans-151.6155.817600000111.1G1 P90 I92 Y289G1-A67 PolarHBondContact N-O 3.33Å; A67-P90 HydrophobicContact CB-CG 4.06Å; A67-I92 HydrophobicContact CB-CD1 4.31Å; A67-Y289 HydrophobicContact CB-CD2 4.39Å; A67-Y289 HydrophobicContact CB-CE1 4.18Å; A67-Y289 HydrophobicContact CB-CE2 3.65Å
68V83.6Confident80.7Confident0 Ų037 Ų370%025%0.254CS..EExtended strand (participates in β ladder)trans-114.8129176.8-176.80000109.5G1 I3 L61 V65 V80 V89 P90 I92G1-V68 WeakPolarHBondContact O-CA 3.22Å; I3-V68 HydrophobicContact CD1-CG1 4.05Å; I3-V68 HydrophobicContact CG1-CG1 4.41Å; L61-V68 HydrophobicContact CD2-CG2 4.32Å; V65-V68 HydrophobicContact CG2-CG2 3.92Å; V68-V80 HydrophobicContact CG1-CG1 4.01Å; V68-V89 HydrophobicContact CG2-CG1 4.22Å; V68-P90 PolarHBondContact N-O 2.96Å; V68-I92 PolarHBondContact O-N 3.13Å
69F83.3Confident80.7Confident19 Ų1935.1 Ų35.18%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-109.7138.2177.8-80-94.7000111.2G1 G2 I3 F19 I92 C285 V286G1-F69 PolarHBondContact O-N 3.27Å; G2-F69 WeakPolarHBondContact CA-O 3.38Å; I3-F69 PolarHBondContact N-O 3.36Å; F19-F69 HydrophobicContact CE2-CB 4.38Å; F19-F69 HydrophobicContact CE2-CD1 4.4Å; F19-F69 AromaticContact CE2-CD2 3.91Å; F19-F69 HydrophobicContact CE2-CD2 3.91Å; F19-F69 HydrophobicContact CE2-CE2 4.24Å; F19-F69 AromaticContact CE2-CG 3.99Å; F19-F69 HydrophobicContact CE2-CG 3.99Å; F19-F69 HydrophobicContact CZ-CD2 4.31Å; F69-I92 HydrophobicContact CD1-CB 3.86Å; F69-I92 HydrophobicContact CD1-CD1 4.44Å; F69-I92 HydrophobicContact CD1-CG2 3.78Å; F69-I92 HydrophobicContact CD2-CD1 4.43Å; F69-I92 HydrophobicContact CE1-CB 3.85Å; F69-I92 HydrophobicContact CE1-CD1 3.75Å; F69-I92 HydrophobicContact CE1-CG1 4.41Å; F69-I92 HydrophobicContact CE1-CG2 3.53Å; F69-I92 HydrophobicContact CE2-CD1 3.74Å; F69-I92 HydrophobicContact CG-CB 4.35Å; F69-I92 HydrophobicContact CZ-CB 4.32Å; F69-I92 HydrophobicContact CZ-CD1 3.35Å; F69-I92 HydrophobicContact CZ-CG1 4.42Å; F69-I92 HydrophobicContact CZ-CG2 4.3Å; F69-C285 HydrophobicContact CE1-CB 3.79Å; F69-C285 HydrophobicContact CZ-CB 4.19Å; F69-V286 HydrophobicContact CZ-CG2 4.36Å
70G76.9Confident80.7Confident7 Ų731.7 Ų31.77%0.07223%0.225CC..  trans72.9-178.7-17700000111.8H91 I92G70-H91 PolarHBondContact O-NE2 3.29Å; G70-I92 PolarHBondContact N-O 3.43Å
71P82.9Confident80.8Confident2 Ų231.7 Ų31.71%0.01323%0.225CC..  cis-85.4-172.512.431.8-35.6000114.7I3 E5 I45 S76 V77 V80I3-P71 HydrophobicContact CG2-CB 4.22Å; I3-P71 WeakPolarHBondContact O-CA 3.36Å; E5-P71 HydrophobicContact CG-CB 4.3Å; I45-P71 HydrophobicContact CD1-CB 4Å; P71-S76 VanDerWaalsContact CG-C 3.44Å; P71-V77 HydrophobicContact CG-CG2 4.11Å; P71-V77 WeakPolarHBondContact O-CG2 3.33Å; P71-V80 HydrophobicContact CG-CG2 4.19Å
72S74.4Confident81Confident11 Ų1134 Ų348%0.07724%0.244CC..SBendtrans-94.1-36.2-173.4-970000113.5E5 E15 R95E5-S72 WeakPolarHBondContact OE2-CA 3.37Å; E5-S72 WeakPolarHBondContact OE2-CB 3.27Å; E5-S72 PolarHBondContact OE2-N 3.36Å; E15-S72 PolarHBondContact OE1-OG 3.5Å; E15-S72 PolarHBondContact OE2-OG 2.85Å; S72-R95 VanDerWaalsContact O-CD 3.3Å; S72-R95 WeakPolarHBondContact O-CD 3.46Å; S72-R95 PolarHBondContact OG-NE 3.39Å
73H79.3Confident81.3Confident51 Ų5131.2 Ų31.224%0.23622%0.216CC..SBendtrans-80.8143.6-179.3-166.2-93.1000112.6E5 F48 S75 S76 V77E5-H73 WeakPolarHBondContact OE1-CB 3.45Å; E5-H73 PolarHBondContact OE1-N 3.41Å; E5-H73 WeakPolarHBondContact OE2-CB 3.49Å; E5-H73 PolarHBondContact OE2-N 3.25Å; F48-H73 AromaticContact CD1-CD2 3.63Å; F48-H73 AromaticContact CD1-CE1 3.47Å; F48-H73 VanDerWaalsContact CD1-CE1 3.47Å; F48-H73 WeakPolarHBondContact CD1-CE1 3.35Å; F48-H73 AromaticContact CD1-ND1 3.9Å; F48-H73 AromaticContact CD1-NE2 3.31Å; F48-H73 VanDerWaalsContact CD1-NE2 3.31Å; F48-H73 WeakPolarHBondContact CD1-NE2 3.41Å; F48-H73 AromaticContact CE1-CD2 3.43Å; F48-H73 VanDerWaalsContact CE1-CD2 3.43Å; F48-H73 WeakPolarHBondContact CE1-CD2 3.35Å; F48-H73 AromaticContact CE1-CE1 3.76Å; F48-H73 AromaticContact CE1-NE2 3.1Å; F48-H73 WeakPolarHBondContact CE1-NE2 3.4Å; H73-S75 VanDerWaalsContact C-N 3.33Å; H73-S75 PolarHBondContact CE1-OG 3.13Å; H73-S75 PolarHBondContact ND1-N 3.17Å; H73-S75 PolarHBondContact ND1-OG 2.98Å; H73-S75 PolarHBondContact O-N 2.94Å; H73-S76 PolarHBondContact O-N 2.98Å; H73-V77 WeakPolarHBondContact O-CB 3.26Å; H73-V77 VanDerWaalsContact O-CG2 3.23Å; H73-V77 WeakPolarHBondContact O-CG2 3.45Å; H73-V77 PolarHBondContact O-N 3.26Å
74S78.6Confident81.3Confident55 Ų5525.4 Ų25.439%0.38519%0.186SC..Hα-helixtrans-62-35.2-173.659.80000114S78S74-S78 PolarHBondContact O-N 2.73Å; S74-S78 VanDerWaalsContact O-N 3.12Å; S74-S78 PolarHBondContact O-OG 3.35Å
75S81.4Confident81.6Confident42 Ų4224.1 Ų24.129%0.29416%0.164SC..Hα-helixtrans-67.5-48.7176.760.10000111.8H73 V77 S78 A79H73-S75 VanDerWaalsContact C-N 3.33Å; H73-S75 PolarHBondContact CE1-OG 3.13Å; H73-S75 PolarHBondContact ND1-N 3.17Å; H73-S75 PolarHBondContact ND1-OG 2.98Å; H73-S75 PolarHBondContact O-N 2.94Å; S75-V77 VanDerWaalsContact C-N 3.34Å; S75-V77 PolarHBondContact O-N 3.18Å; S75-S78 PolarHBondContact O-N 2.85Å; S75-A79 PolarHBondContact O-N 3.31Å
76S85.9Confident81.9Confident0 Ų026.4 Ų26.40%019%0.186CC..Hα-helixtrans-61.4-42.8177.2-45.10000111.1E5 P71 H73 S78 A79 V80E5-S76 WeakPolarHBondContact OE1-CB 3.39Å; E5-S76 PolarHBondContact OE1-OG 3.47Å; P71-S76 VanDerWaalsContact CG-C 3.44Å; H73-S76 PolarHBondContact O-N 2.98Å; S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 3.32Å; S76-A79 PolarHBondContact O-N 2.98Å; S76-V80 WeakPolarHBondContact O-CG2 2.9Å; S76-V80 PolarHBondContact O-N 3.32Å
77V85.7Confident82.3Confident8 Ų828.5 Ų28.55%0.04819%0.185CC..Hα-helixtrans-60.5-40.5176.8167.50000111.3P71 H73 S75 Q81 Q93 K97P71-V77 HydrophobicContact CG-CG2 4.11Å; P71-V77 WeakPolarHBondContact O-CG2 3.33Å; H73-V77 WeakPolarHBondContact O-CB 3.26Å; H73-V77 VanDerWaalsContact O-CG2 3.23Å; H73-V77 WeakPolarHBondContact O-CG2 3.45Å; H73-V77 PolarHBondContact O-N 3.26Å; S75-V77 VanDerWaalsContact C-N 3.34Å; S75-V77 PolarHBondContact O-N 3.18Å; V77-Q81 WeakPolarHBondContact O-CB 3.29Å; V77-Q81 PolarHBondContact O-N 3.4Å; V77-Q93 HydrophobicContact CG1-CG 4.13Å; V77-K97 HydrophobicContact CG1-CD 4.3Å
78S85.1Confident82.2Confident54 Ų5430.3 Ų30.338%0.37819%0.192SC..Hα-helixtrans-67.1-38.5-178.7-59.80000112S74 S75 S76 S82S74-S78 PolarHBondContact O-N 2.73Å; S74-S78 VanDerWaalsContact O-N 3.12Å; S74-S78 PolarHBondContact O-OG 3.35Å; S75-S78 PolarHBondContact O-N 2.85Å; S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 3.32Å; S78-S82 PolarHBondContact O-N 2.82Å; S78-S82 VanDerWaalsContact O-N 3.08Å
79A86.5Confident81.8Confident24 Ų2431.1 Ų31.120%0.19820%0.197CC..Hα-helixtrans-68.7-47.9177.200000112.1S54 S75 S76 Q81 S82 I83S54-A79 WeakPolarHBondContact OG-CB 3.42Å; S75-A79 PolarHBondContact O-N 3.31Å; S76-A79 PolarHBondContact O-N 2.98Å; A79-Q81 VanDerWaalsContact C-N 3.31Å; A79-Q81 PolarHBondContact O-N 2.66Å; A79-S82 PolarHBondContact O-N 3.09Å; A79-I83 WeakPolarHBondContact O-CG1 3.32Å; A79-I83 PolarHBondContact O-N 3.42Å
80V86.9Confident81.5Confident0 Ų030.9 Ų30.90%020%0.197CC..Hα-helixtrans-62.3-40175.7175.80000111I3 A53 A57 V68 P71 S76 S82 I83 C84I3-V80 HydrophobicContact CD1-CG2 4.23Å; A53-V80 HydrophobicContact CB-CG2 4.12Å; A57-V80 HydrophobicContact CB-CG1 4.33Å; A57-V80 HydrophobicContact CB-CG2 4.14Å; V68-V80 HydrophobicContact CG1-CG1 4.01Å; P71-V80 HydrophobicContact CG-CG2 4.19Å; S76-V80 WeakPolarHBondContact O-CG2 2.9Å; S76-V80 PolarHBondContact O-N 3.32Å; V80-S82 VanDerWaalsContact C-N 3.35Å; V80-S82 PolarHBondContact O-N 3.5Å; V80-I83 PolarHBondContact O-N 3.35Å; V80-C84 WeakPolarHBondContact O-CB 3.2Å; V80-C84 PolarHBondContact O-N 3.16Å; V80-C84 PolarHBondContact O-SG 2.94Å; V80-C84 VanDerWaalsContact O-SG 3.38Å
81Q85.7Confident81.7Confident1 Ų130.6 Ų30.61%0.00519%0.194CC..Hα-helixtrans-60.1-43.3176.1179.254.935.500112.5V77 A79 I83 C84 N85 H91 S106V77-Q81 WeakPolarHBondContact O-CB 3.29Å; V77-Q81 PolarHBondContact O-N 3.4Å; A79-Q81 VanDerWaalsContact C-N 3.31Å; A79-Q81 PolarHBondContact O-N 2.66Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 3.03Å; Q81-C84 PolarHBondContact O-N 3.37Å; Q81-N85 VanDerWaalsContact O-CB 3.24Å; Q81-N85 WeakPolarHBondContact O-CB 3.42Å; Q81-N85 PolarHBondContact O-N 3.47Å; Q81-H91 VanDerWaalsContact OE1-CB 3.31Å; Q81-H91 PolarHBondContact OE1-ND1 2.66Å; Q81-S106 PolarHBondContact NE2-O 3.27Å; Q81-S106 VanDerWaalsContact NE2-O 3.14Å
82S85.8Confident81.6Confident78 Ų7830.5 Ų30.555%0.54519%0.193SC..Hα-helixtrans-61.1-43.2179.1-175.50000111.4S78 A79 V80 A86S78-S82 PolarHBondContact O-N 2.82Å; S78-S82 VanDerWaalsContact O-N 3.08Å; A79-S82 PolarHBondContact O-N 3.09Å; V80-S82 VanDerWaalsContact C-N 3.35Å; V80-S82 PolarHBondContact O-N 3.5Å; S82-A86 WeakPolarHBondContact O-CB 3.39Å; S82-A86 PolarHBondContact O-N 3.37Å
83I84.4Confident81.8Confident33 Ų3330.1 Ų30.117%0.16919%0.19CC..Hα-helixtrans-66-47.9177.5-63.5167.1000110.9L61 A79 V80 Q81 N85 A86 L87L61-I83 HydrophobicContact CD1-CG2 3.62Å; A79-I83 WeakPolarHBondContact O-CG1 3.32Å; A79-I83 PolarHBondContact O-N 3.42Å; V80-I83 PolarHBondContact O-N 3.35Å; Q81-I83 VanDerWaalsContact C-N 3.32Å; Q81-I83 PolarHBondContact O-N 3.03Å; I83-N85 PolarHBondContact O-N 3Å; I83-A86 PolarHBondContact O-N 3.34Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.5Å; I83-L87 PolarHBondContact O-N 3.21Å
84C82.1Confident81.6Confident0 Ų028.5 Ų28.50%018%0.184CC..Hα-helixtrans-60.8-41.9178.2-77.90000112.3V80 Q81 L87 E88 V89 H91V80-C84 WeakPolarHBondContact O-CB 3.2Å; V80-C84 PolarHBondContact O-N 3.16Å; V80-C84 PolarHBondContact O-SG 2.94Å; V80-C84 VanDerWaalsContact O-SG 3.38Å; Q81-C84 PolarHBondContact O-N 3.37Å; C84-L87 CarbonylContact O-C 3.44Å; C84-L87 PolarHBondContact O-N 3.18Å; C84-E88 CarbonylContact O-C 3.48Å; C84-E88 WeakPolarHBondContact O-CA 3.24Å; C84-E88 PolarHBondContact O-N 2.88Å; C84-V89 VanDerWaalsContact CB-O 3.29Å; C84-V89 WeakPolarHBondContact CB-O 3.35Å; C84-V89 PolarHBondContact O-N 3.48Å; C84-H91 HydrophobicContact CB-CB 3.85Å
85N81.6Confident81.5Confident36 Ų3630.8 Ų30.819%0.19319%0.185CC..Hα-helixtrans-65.7-41.9176.3-166.418.5000111.4Q81 I83 L87 E88 D105 S106 F107Q81-N85 VanDerWaalsContact O-CB 3.24Å; Q81-N85 WeakPolarHBondContact O-CB 3.42Å; Q81-N85 PolarHBondContact O-N 3.47Å; I83-N85 PolarHBondContact O-N 3Å; N85-L87 VanDerWaalsContact C-N 3.35Å; N85-L87 PolarHBondContact O-N 3.5Å; N85-E88 PolarHBondContact O-N 2.85Å; N85-D105 PolarHBondContact ND2-OD1 3.18Å; N85-S106 PolarHBondContact OD1-N 2.78Å; N85-S106 PolarHBondContact OD1-O 2.75Å; N85-S106 VanDerWaalsContact OD1-O 3.12Å; N85-S106 PolarHBondContact OD1-OG 2.94Å; N85-F107 WeakPolarHBondContact OD1-CD2 3.46Å
86A82.4Confident81.2Confident77 Ų7731.2 Ų31.264%0.63618%0.18SC*.Hα-helixtrans-67.5-32.4177.700000113.7S82 I83S82-A86 WeakPolarHBondContact O-CB 3.39Å; S82-A86 PolarHBondContact O-N 3.37Å; I83-A86 PolarHBondContact O-N 3.34Å
87L78.7Confident80.5Confident93 Ų9332.9 Ų32.949%0.48719%0.187SC..THydrogen-bonded Turntrans-99.26.5-179.2-65.2172.9000113.4L61 I83 C84 N85 V89L61-L87 HydrophobicContact CD1-CD1 3.6Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.5Å; I83-L87 PolarHBondContact O-N 3.21Å; C84-L87 CarbonylContact O-C 3.44Å; C84-L87 PolarHBondContact O-N 3.18Å; N85-L87 VanDerWaalsContact C-N 3.35Å; N85-L87 PolarHBondContact O-N 3.5Å; L87-V89 HydrophobicContact CB-CG2 4.41Å; L87-V89 PolarHBondContact O-N 3.22Å
88E74.4Confident79.6Confident46 Ų4636.8 Ų36.822%0.21520%0.204CC..THydrogen-bonded Turntrans57.826.9179.2-56.4175.9155.200113.9C84 N85 F107 L312C84-E88 CarbonylContact O-C 3.48Å; C84-E88 WeakPolarHBondContact O-CA 3.24Å; C84-E88 PolarHBondContact O-N 2.88Å; N85-E88 PolarHBondContact O-N 2.85Å; E88-F107 HydrophobicContact CB-CE2 4.41Å; E88-F107 HydrophobicContact CB-CZ 4.31Å; E88-F107 HydrophobicContact CG-CE2 4.11Å; E88-F107 HydrophobicContact CG-CZ 4.19Å; E88-L312 HydrophobicContact CB-CD2 4.38Å; E88-L312 WeakPolarHBondContact O-CD2 3.47Å
89V76.1Confident78.6Confident17 Ų1738.4 Ų38.410%0.10321%0.214CC..PPolyproline II helixtrans-96.2132.4179177.80000110.2L61 V68 C84 L87 H91L61-V89 HydrophobicContact CD2-CB 3.98Å; L61-V89 HydrophobicContact CD2-CG1 3.88Å; L61-V89 HydrophobicContact CD2-CG2 3.62Å; V68-V89 HydrophobicContact CG2-CG1 4.22Å; C84-V89 VanDerWaalsContact CB-O 3.29Å; C84-V89 WeakPolarHBondContact CB-O 3.35Å; C84-V89 PolarHBondContact O-N 3.48Å; L87-V89 HydrophobicContact CB-CG2 4.41Å; L87-V89 PolarHBondContact O-N 3.22Å; V89-H91 PolarHBondContact O-N 3.18Å
90P76.6Confident77.3Confident14 Ų1440 Ų409%0.09122%0.223CC..PPolyproline II helixtrans-67.5126.1-18026.5-34.1000111.9G66 A67 V68 Y289G66-P90 WeakPolarHBondContact O-CG 3.41Å; A67-P90 HydrophobicContact CB-CG 4.06Å; V68-P90 PolarHBondContact N-O 2.96Å; P90-Y289 HydrophobicContact CG-CE2 4.21Å
91H81.5Confident75.5Confident0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-101.9120174-179.3-161.2000110.9G70 Q81 C84 V89 Q93 F107 Y108 I109G70-H91 PolarHBondContact O-NE2 3.29Å; Q81-H91 VanDerWaalsContact OE1-CB 3.31Å; Q81-H91 PolarHBondContact OE1-ND1 2.66Å; C84-H91 HydrophobicContact CB-CB 3.85Å; V89-H91 PolarHBondContact O-N 3.18Å; H91-Q93 PolarHBondContact CE1-NE2 3.5Å; H91-Q93 PolarHBondContact ND1-NE2 2.9Å; H91-F107 PolarHBondContact N-O 3.3Å; H91-Y108 CarbonylContact O-C 3.58Å; H91-Y108 VanDerWaalsContact O-CA 3.26Å; H91-Y108 WeakPolarHBondContact O-CA 3.37Å; H91-I109 PolarHBondContact O-N 2.95Å
92I79.8Confident73.9Confident0 Ų053.6 Ų53.60%030%0.301CS..EExtended strand (participates in β ladder)trans-103.2116.4-179.2-60.1168.5000109.5A67 V68 F69 G70 L111 C285 Y289 Y319A67-I92 HydrophobicContact CB-CD1 4.31Å; V68-I92 PolarHBondContact O-N 3.13Å; F69-I92 HydrophobicContact CD1-CB 3.86Å; F69-I92 HydrophobicContact CD1-CD1 4.44Å; F69-I92 HydrophobicContact CD1-CG2 3.78Å; F69-I92 HydrophobicContact CD2-CD1 4.43Å; F69-I92 HydrophobicContact CE1-CB 3.85Å; F69-I92 HydrophobicContact CE1-CD1 3.75Å; F69-I92 HydrophobicContact CE1-CG1 4.41Å; F69-I92 HydrophobicContact CE1-CG2 3.53Å; F69-I92 HydrophobicContact CE2-CD1 3.74Å; F69-I92 HydrophobicContact CG-CB 4.35Å; F69-I92 HydrophobicContact CZ-CB 4.32Å; F69-I92 HydrophobicContact CZ-CD1 3.35Å; F69-I92 HydrophobicContact CZ-CG1 4.42Å; F69-I92 HydrophobicContact CZ-CG2 4.3Å; G70-I92 PolarHBondContact N-O 3.43Å; I92-L111 HydrophobicContact CG2-CD1 3.94Å; I92-L111 HydrophobicContact CG2-CG 4.3Å; I92-C285 HydrophobicContact CG2-CB 4.27Å; I92-Y289 HydrophobicContact CD1-CD2 4.09Å; I92-Y319 WeakPolarHBondContact CD1-OH 3.08Å
93Q80.2Confident72.5Confident3 Ų354.7 Ų54.71%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-106.4140.4-177-61.7170.611.700110.5V77 H91 I109 N110 L111V77-Q93 HydrophobicContact CG1-CG 4.13Å; H91-Q93 PolarHBondContact CE1-NE2 3.5Å; H91-Q93 PolarHBondContact ND1-NE2 2.9Å; Q93-I109 PolarHBondContact N-O 3.06Å; Q93-N110 HydrophobicContact CB-CB 4.38Å; Q93-N110 PolarHBondContact O-OD1 2.96Å; Q93-L111 PolarHBondContact O-N 3.43Å
94T74.6Confident71.5Confident18 Ų1863 Ų6311%0.1134%0.335CS..  trans-117.2-8-178.656.90000112.9L111 R281T94-L111 HydrophobicContact CG2-CD1 4.33Å; T94-R281 WeakPolarHBondContact CG2-O 3.12Å
95R76Confident71Confident103 Ų10364.3 Ų64.339%0.38934%0.342SS..SBendtrans-117.6162.8178.3-68.5-160.8179.4-167.73.4111.6E15 S72 N110E15-R95 IonicContact OE1-CZ 3.14Å; E15-R95 IonicContact OE1-NE 2.72Å; E15-R95 PolarHBondContact OE1-NE 3.4Å; E15-R95 IonicContact OE1-NH2 3.85Å; E15-R95 PolarHBondContact OE1-NH2 3.33Å; S72-R95 VanDerWaalsContact O-CD 3.3Å; S72-R95 WeakPolarHBondContact O-CD 3.46Å; S72-R95 PolarHBondContact OG-NE 3.39Å; R95-N110 PolarHBondContact O-ND2 3.4Å; R95-N110 PolarHBondContact O-OD1 3.27Å
96W74.8Confident70.4Confident51 Ų5165.2 Ų65.219%0.19335%0.351CS..  trans-62.8139.2175-169.854.2000112.1H98 Y115 T142 I145 R146W96-H98 HydrophobicContact CH2-CB 3.95Å; W96-H98 AromaticContact CH2-CD2 3.93Å; W96-H98 HydrophobicContact CZ2-CB 4.44Å; W96-H98 HydrophobicContact CZ3-CB 4.29Å; W96-Y115 HydrophobicContact CB-CD2 4.11Å; W96-Y115 HydrophobicContact CB-CE2 3.3Å; W96-Y115 AromaticContact CD1-CD2 2.97Å; W96-Y115 AromaticContact CD1-CE2 3.15Å; W96-Y115 HydrophobicContact CD2-CD2 4.23Å; W96-Y115 HydrophobicContact CD2-CE2 4.16Å; W96-Y115 AromaticContact CG-CD2 3.48Å; W96-Y115 HydrophobicContact CG-CD2 3.48Å; W96-Y115 VanDerWaalsContact CG-CD2 3.48Å; W96-Y115 AromaticContact CG-CE2 3.18Å; W96-Y115 HydrophobicContact CG-CE2 3.18Å; W96-Y115 HydrophobicContact CG-CG 4.49Å; W96-Y115 AromaticContact NE1-CD2 3.38Å; W96-Y115 AromaticContact NE1-CE2 3.96Å; W96-T142 HydrophobicContact CZ3-CG2 3.91Å; W96-I145 HydrophobicContact CH2-CB 4.08Å; W96-I145 HydrophobicContact CH2-CG2 3.88Å; W96-I145 HydrophobicContact CZ2-CG2 4.06Å; W96-R146 HydrophobicContact CD2-CG 4.21Å; W96-R146 HydrophobicContact CE3-CG 4.3Å; W96-R146 HydrophobicContact CH2-CG 4.45Å; W96-R146 HydrophobicContact CZ2-CG 4.38Å; W96-R146 HydrophobicContact CZ3-CG 4.44Å
97K72.3Confident70.1Confident35 Ų3563.2 Ų63.215%0.15233%0.329CS..  trans-119.9139.5166.5-176.6-174.8171.8-171.60108V77 D105V77-K97 HydrophobicContact CG1-CD 4.3Å; K97-D105 IonicContact NZ-OD2 3.27Å; K97-D105 PolarHBondContact NZ-OD2 2.82Å
98H67.3Low70.1Confident89 Ų8961.1 Ų61.141%0.41231%0.314SS..  trans-60.7127.2169.8-175.6-79.1000109.7W96 S100W96-H98 HydrophobicContact CH2-CB 3.95Å; W96-H98 AromaticContact CH2-CD2 3.93Å; W96-H98 HydrophobicContact CZ2-CB 4.44Å; W96-H98 HydrophobicContact CZ3-CB 4.29Å; H98-S100 PolarHBondContact O-N 3.01Å
99P62.9Low70.3Confident89 Ų8959.6 Ų59.658%0.57831%0.307SS*.  trans-65104.5172.7-14.628.1000108.9V101P99-V101 PolarHBondContact O-N 3.18Å
100S59Low70.4Confident56 Ų5659.1 Ų59.139%0.39230%0.304SS..  trans-67.2129.9169.943.50000108.8H98 D102H98-S100 PolarHBondContact O-N 3.01Å; S100-D102 PolarHBondContact O-N 3.33Å; S100-D102 VanDerWaalsContact O-N 3.09Å
101V50.5Low70.5Confident137 Ų13759.8 Ų59.883%0.8331%0.307SS*.THydrogen-bonded Turntrans-61.2-20.3-172.3-179.40000113.2P99P99-V101 PolarHBondContact O-N 3.18Å
102D51.7Low70.3Confident151 Ų15160.2 Ų60.281%0.80731%0.309SS*.THydrogen-bonded Turntrans-117.8-6.4-170.7-73.4-39.6000116.9S100 K104S100-D102 PolarHBondContact O-N 3.33Å; S100-D102 VanDerWaalsContact O-N 3.09Å; D102-K104 PolarHBondContact O-N 3.1Å
103N56Low70.5Confident100 Ų10060.4 Ų60.454%0.53531%0.31SS..  trans-93.3108.9-174.2-98.111.3000112.8D105N103-D105 HydrophobicContact CB-CB 4.36Å; N103-D105 VanDerWaalsContact ND2-CG 3.28Å; N103-D105 PolarHBondContact ND2-OD1 3.04Å; N103-D105 PolarHBondContact ND2-OD2 3.04Å; N103-D105 PolarHBondContact O-N 3.3Å
104K63.8Low70.7Confident207 Ų20762.8 Ų62.890%0.932%0.321SS*.  trans-70.454.7153.4-63.8178.8-178.6175.80109.8D102 S106D102-K104 PolarHBondContact O-N 3.1Å; K104-S106 PolarHBondContact O-N 3.17Å
105D70.2Confident71Confident29 Ų2963.4 Ų63.416%0.15532%0.322CS..  trans-63.3120.3176.1-81.8-24.9000108.3N85 K97 N103 Y108N85-D105 PolarHBondContact ND2-OD1 3.18Å; K97-D105 IonicContact NZ-OD2 3.27Å; K97-D105 PolarHBondContact NZ-OD2 2.82Å; N103-D105 HydrophobicContact CB-CB 4.36Å; N103-D105 VanDerWaalsContact ND2-CG 3.28Å; N103-D105 PolarHBondContact ND2-OD1 3.04Å; N103-D105 PolarHBondContact ND2-OD2 3.04Å; N103-D105 PolarHBondContact O-N 3.3Å; D105-Y108 HydrophobicContact CB-CD1 3.86Å; D105-Y108 HydrophobicContact CB-CE1 3.69Å; D105-Y108 VanDerWaalsContact O-CE1 3.27Å; D105-Y108 WeakPolarHBondContact O-CE1 3.23Å
106S70.4Confident71.4Confident54 Ų5459.9 Ų59.938%0.37832%0.315SS..  trans-95.9168.2169.639.70000110.2Q81 N85 K104 Y108Q81-S106 PolarHBondContact NE2-O 3.27Å; Q81-S106 VanDerWaalsContact NE2-O 3.14Å; N85-S106 PolarHBondContact OD1-N 2.78Å; N85-S106 PolarHBondContact OD1-O 2.75Å; N85-S106 VanDerWaalsContact OD1-O 3.12Å; N85-S106 PolarHBondContact OD1-OG 2.94Å; K104-S106 PolarHBondContact O-N 3.17Å; S106-Y108 PolarHBondContact O-N 3.24Å
107F74.9Confident71.9Confident36 Ų3657.6 Ų57.616%0.15831%0.307CS..SBendtrans66.134.7172-49.5-71.5000115.6N85 E88 H91 L313 I316N85-F107 WeakPolarHBondContact OD1-CD2 3.46Å; E88-F107 HydrophobicContact CB-CE2 4.41Å; E88-F107 HydrophobicContact CB-CZ 4.31Å; E88-F107 HydrophobicContact CG-CE2 4.11Å; E88-F107 HydrophobicContact CG-CZ 4.19Å; H91-F107 PolarHBondContact N-O 3.3Å; F107-L313 HydrophobicContact CE1-CD2 4.4Å; F107-L313 HydrophobicContact CZ-CD2 3.97Å; F107-I316 HydrophobicContact CD1-CB 4.09Å; F107-I316 HydrophobicContact CD1-CD1 3.37Å; F107-I316 HydrophobicContact CD1-CG1 3.75Å; F107-I316 HydrophobicContact CD1-CG2 3.62Å; F107-I316 HydrophobicContact CE1-CB 3.95Å; F107-I316 HydrophobicContact CE1-CD1 3.34Å; F107-I316 HydrophobicContact CE1-CG1 3.93Å; F107-I316 HydrophobicContact CE1-CG2 3.67Å
108Y80.2Confident72.7Confident48 Ų4856.2 Ų56.219%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-136.2157.3168.280.1-86.9000113.2H91 D105 S106 D337 L339H91-Y108 CarbonylContact O-C 3.58Å; H91-Y108 VanDerWaalsContact O-CA 3.26Å; H91-Y108 WeakPolarHBondContact O-CA 3.37Å; D105-Y108 HydrophobicContact CB-CD1 3.86Å; D105-Y108 HydrophobicContact CB-CE1 3.69Å; D105-Y108 VanDerWaalsContact O-CE1 3.27Å; D105-Y108 WeakPolarHBondContact O-CE1 3.23Å; S106-Y108 PolarHBondContact O-N 3.24Å; Y108-D337 PolarHBondContact OH-O 2.77Å; Y108-L339 HydrophobicContact CE2-CD2 4.11Å
109I77.4Confident73.7Confident14 Ų1452.1 Ų52.17%0.07228%0.282CS..EExtended strand (participates in β ladder)trans-139.3128.1178-65.3-179.1000109.2H91 Q93 L111 Y319 I333 G338H91-I109 PolarHBondContact O-N 2.95Å; Q93-I109 PolarHBondContact N-O 3.06Å; I109-L111 HydrophobicContact CG2-CD2 4.2Å; I109-Y319 HydrophobicContact CD1-CD1 2.87Å; I109-Y319 HydrophobicContact CD1-CD2 3.71Å; I109-Y319 HydrophobicContact CD1-CE1 2.99Å; I109-Y319 HydrophobicContact CD1-CE2 3.8Å; I109-Y319 HydrophobicContact CD1-CG 3.22Å; I109-Y319 VanDerWaalsContact CD1-CZ 3.45Å; I109-Y319 HydrophobicContact CG1-CD1 4.33Å; I109-Y319 HydrophobicContact CG1-CE1 4.35Å; I109-Y319 HydrophobicContact CG2-CE1 4.45Å; I109-I333 HydrophobicContact CD1-CD1 4.44Å; I109-I333 HydrophobicContact CG2-CD1 3.41Å; I109-I333 VanDerWaalsContact CG2-CD1 3.41Å; I109-I333 HydrophobicContact CG2-CG1 4.43Å; I109-G338 WeakPolarHBondContact CA-O 3.26Å
110N79.3Confident74.9Confident7 Ų753.1 Ų53.14%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-107118.8173.7-159.9-18.4000110.7Q93 R95 H112 G338 L339Q93-N110 HydrophobicContact CB-CB 4.38Å; Q93-N110 PolarHBondContact O-OD1 2.96Å; R95-N110 PolarHBondContact O-ND2 3.4Å; R95-N110 PolarHBondContact O-OD1 3.27Å; N110-H112 VanDerWaalsContact C-N 3.33Å; N110-H112 WeakPolarHBondContact OD1-CB 3.42Å; N110-H112 PolarHBondContact OD1-N 3.48Å; N110-G338 PolarHBondContact N-O 2.98Å; N110-L339 HydrophobicContact CB-CD2 3.76Å
111L76.8Confident76.4Confident29 Ų2950.5 Ų50.515%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-82.4-16.9176.7-57.8173.7000112.7I92 Q93 T94 I109 C285 W324I92-L111 HydrophobicContact CG2-CD1 3.94Å; I92-L111 HydrophobicContact CG2-CG 4.3Å; Q93-L111 PolarHBondContact O-N 3.43Å; T94-L111 HydrophobicContact CG2-CD1 4.33Å; I109-L111 HydrophobicContact CG2-CD2 4.2Å; L111-C285 HydrophobicContact CD1-CB 3.41Å; L111-C285 VanDerWaalsContact CD1-CB 3.41Å; L111-C285 WeakPolarHBondContact CD1-SG 3.43Å; L111-C285 WeakPolarHBondContact CD2-SG 3.4Å; L111-W324 HydrophobicContact CD2-CZ2 4.42Å
112H79.3Confident78.3Confident9 Ų944 Ų444%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-66.7132.1174.6-163.7-75.6000109.2N110 Y115 R281N110-H112 VanDerWaalsContact C-N 3.33Å; N110-H112 WeakPolarHBondContact OD1-CB 3.42Å; N110-H112 PolarHBondContact OD1-N 3.48Å; H112-Y115 AromaticContact CE1-CE2 3.16Å; H112-Y115 WeakPolarHBondContact CE1-CE2 3.41Å; H112-Y115 AromaticContact CE1-CZ 3.26Å; H112-Y115 PolarHBondContact CE1-OH 3.08Å; H112-Y115 AromaticContact ND1-CE2 3.3Å; H112-Y115 VanDerWaalsContact ND1-CE2 3.3Å; H112-Y115 WeakPolarHBondContact ND1-CE2 3.47Å; H112-Y115 AromaticContact ND1-CZ 3.9Å; H112-Y115 AromaticContact NE2-CZ 3.91Å; H112-Y115 PolarHBondContact NE2-OH 3.31Å; H112-R281 PolarHBondContact CD2-NH2 3.07Å; H112-R281 VanDerWaalsContact CD2-NH2 3.35Å; H112-R281 PolarHBondContact NE2-NH2 3.35Å
113P83.8Confident80.2Confident3 Ų337.7 Ų37.72%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-57.8145.9174.4-18.327.8000112Y115 I118 L221 L243 F343P113-Y115 PolarHBondContact O-N 3.47Å; P113-I118 HydrophobicContact CB-CD1 4.22Å; P113-I118 HydrophobicContact CB-CG1 4.48Å; P113-L221 HydrophobicContact CG-CD1 4.28Å; P113-L243 HydrophobicContact CG-CD1 4.21Å; P113-L243 HydrophobicContact CG-CD2 3.77Å; P113-F343 HydrophobicContact CB-CD1 3.72Å; P113-F343 HydrophobicContact CB-CD2 3.9Å; P113-F343 HydrophobicContact CB-CE1 3.43Å; P113-F343 VanDerWaalsContact CB-CE1 3.43Å; P113-F343 HydrophobicContact CB-CE2 3.59Å; P113-F343 HydrophobicContact CB-CG 3.96Å; P113-F343 HydrophobicContact CB-CZ 3.36Å; P113-F343 HydrophobicContact CG-CD2 4.25Å; P113-F343 HydrophobicContact CG-CE2 4.28Å; P113-F343 HydrophobicContact CG-CG 4.39Å; P113-F343 HydrophobicContact CG-CZ 4.48Å
114E83.5Confident81.8Confident53 Ų5335 Ų3525%0.24817%0.168CC..PPolyproline II helixtrans-64131178.9-171.9-179.2-178.100111.7A116 S117 I118 R340 K341E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 HydrophobicContact CG-CB 4.11Å; E114-A116 PolarHBondContact O-N 3.45Å; E114-S117 WeakPolarHBondContact O-CB 3.38Å; E114-S117 PolarHBondContact O-N 3.28Å; E114-S117 VanDerWaalsContact O-N 3.1Å; E114-I118 PolarHBondContact O-N 3.02Å; E114-I118 VanDerWaalsContact O-N 3.14Å; E114-R340 PolarHBondContact N-O 2.96Å; E114-R340 VanDerWaalsContact N-O 3.11Å; E114-K341 VanDerWaalsContact OE2-CD 3.27Å; E114-K341 WeakPolarHBondContact OE2-CD 3.45Å; E114-K341 VanDerWaalsContact OE2-CE 3.25Å; E114-K341 WeakPolarHBondContact OE2-CE 3.39Å; E114-K341 WeakPolarHBondContact OE2-CG 3.32Å
115Y80.9Confident83Confident32 Ų3225.4 Ų25.413%0.12513%0.127CC..Hα-helixtrans-71.5-23-178.1-78.9-94.4000114W96 H112 P113 S117 I118 S119 R146W96-Y115 HydrophobicContact CB-CD2 4.11Å; W96-Y115 HydrophobicContact CB-CE2 3.3Å; W96-Y115 AromaticContact CD1-CD2 2.97Å; W96-Y115 AromaticContact CD1-CE2 3.15Å; W96-Y115 HydrophobicContact CD2-CD2 4.23Å; W96-Y115 HydrophobicContact CD2-CE2 4.16Å; W96-Y115 AromaticContact CG-CD2 3.48Å; W96-Y115 HydrophobicContact CG-CD2 3.48Å; W96-Y115 VanDerWaalsContact CG-CD2 3.48Å; W96-Y115 AromaticContact CG-CE2 3.18Å; W96-Y115 HydrophobicContact CG-CE2 3.18Å; W96-Y115 HydrophobicContact CG-CG 4.49Å; W96-Y115 AromaticContact NE1-CD2 3.38Å; W96-Y115 AromaticContact NE1-CE2 3.96Å; H112-Y115 AromaticContact CE1-CE2 3.16Å; H112-Y115 WeakPolarHBondContact CE1-CE2 3.41Å; H112-Y115 AromaticContact CE1-CZ 3.26Å; H112-Y115 PolarHBondContact CE1-OH 3.08Å; H112-Y115 AromaticContact ND1-CE2 3.3Å; H112-Y115 VanDerWaalsContact ND1-CE2 3.3Å; H112-Y115 WeakPolarHBondContact ND1-CE2 3.47Å; H112-Y115 AromaticContact ND1-CZ 3.9Å; H112-Y115 AromaticContact NE2-CZ 3.91Å; H112-Y115 PolarHBondContact NE2-OH 3.31Å; P113-Y115 PolarHBondContact O-N 3.47Å; Y115-S117 PolarHBondContact O-N 3.39Å; Y115-I118 HydrophobicContact CD1-CD1 4.11Å; Y115-I118 HydrophobicContact CE1-CD1 4.25Å; Y115-I118 HydrophobicContact CG-CD1 4.4Å; Y115-I118 PolarHBondContact O-N 3.5Å; Y115-S119 VanDerWaalsContact O-CB 3.3Å; Y115-S119 WeakPolarHBondContact O-CB 3.26Å; Y115-S119 PolarHBondContact O-N 3.2Å; Y115-S119 PolarHBondContact O-OG 3.39Å; Y115-R146 HydrophobicContact CD1-CB 3.46Å; Y115-R146 VanDerWaalsContact CD1-CB 3.46Å; Y115-R146 HydrophobicContact CD1-CG 3.55Å; Y115-R146 HydrophobicContact CD2-CG 4.44Å; Y115-R146 HydrophobicContact CE1-CB 3.92Å; Y115-R146 HydrophobicContact CE1-CG 3.7Å; Y115-R146 HydrophobicContact CG-CB 4.05Å; Y115-R146 HydrophobicContact CG-CG 3.88Å
116A83.6Confident84Confident28 Ų2824.1 Ų24.123%0.23112%0.12CC..Hα-helixtrans-59.8-38169.900000110.7E114 S119 R120E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 HydrophobicContact CG-CB 4.11Å; E114-A116 PolarHBondContact O-N 3.45Å; A116-S119 WeakPolarHBondContact CA-OG 3.44Å; A116-S119 PolarHBondContact O-OG 3.44Å; A116-S119 VanDerWaalsContact O-OG 3.06Å; A116-R120 VanDerWaalsContact O-CG 3.29Å; A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 2.71Å; A116-R120 VanDerWaalsContact O-N 3.16Å
117S87.1Confident84.8Confident4 Ų424.7 Ų24.73%0.02812%0.117CC..Hα-helixtrans-71.9-44.1174.2-66.20000111.7E114 Y115 S119 R120 A121 W361E114-S117 WeakPolarHBondContact O-CB 3.38Å; E114-S117 PolarHBondContact O-N 3.28Å; E114-S117 VanDerWaalsContact O-N 3.1Å; Y115-S117 PolarHBondContact O-N 3.39Å; S117-S119 PolarHBondContact O-N 2.99Å; S117-R120 PolarHBondContact O-N 3.04Å; S117-A121 PolarHBondContact O-N 3.01Å; S117-W361 WeakPolarHBondContact O-CH2 3.37Å; S117-W361 WeakPolarHBondContact O-CZ2 3.47Å
118I87.5Confident85.4Confident6 Ų627.5 Ų27.53%0.03113%0.129CC..Hα-helixtrans-62-43.1177-60.3172.7000111.3P113 E114 Y115 R120 A121 V122 F241 F343P113-I118 HydrophobicContact CB-CD1 4.22Å; P113-I118 HydrophobicContact CB-CG1 4.48Å; E114-I118 PolarHBondContact O-N 3.02Å; E114-I118 VanDerWaalsContact O-N 3.14Å; Y115-I118 HydrophobicContact CD1-CD1 4.11Å; Y115-I118 HydrophobicContact CE1-CD1 4.25Å; Y115-I118 HydrophobicContact CG-CD1 4.4Å; Y115-I118 PolarHBondContact O-N 3.5Å; I118-R120 PolarHBondContact O-N 3.01Å; I118-A121 WeakPolarHBondContact O-CA 3.32Å; I118-A121 VanDerWaalsContact O-CB 3.3Å; I118-A121 WeakPolarHBondContact O-CB 3.45Å; I118-A121 PolarHBondContact O-N 3.28Å; I118-A121 VanDerWaalsContact O-N 3.11Å; I118-V122 WeakPolarHBondContact O-CG2 3.44Å; I118-V122 PolarHBondContact O-N 2.76Å; I118-F241 HydrophobicContact CG2-CE2 4.28Å; I118-F343 HydrophobicContact CG1-CE2 4.39Å; I118-F343 HydrophobicContact CG1-CZ 4.15Å
119S89Confident85.7Confident2 Ų228.6 Ų28.61%0.01413%0.133CC..Hα-helixtrans-67.3-33.8178.654.10000112.8Y115 A116 S117 V122 L123 R146 E149Y115-S119 VanDerWaalsContact O-CB 3.3Å; Y115-S119 WeakPolarHBondContact O-CB 3.26Å; Y115-S119 PolarHBondContact O-N 3.2Å; Y115-S119 PolarHBondContact O-OG 3.39Å; A116-S119 WeakPolarHBondContact CA-OG 3.44Å; A116-S119 PolarHBondContact O-OG 3.44Å; A116-S119 VanDerWaalsContact O-OG 3.06Å; S117-S119 PolarHBondContact O-N 2.99Å; S119-V122 PolarHBondContact O-N 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 3.24Å; S119-R146 WeakPolarHBondContact CB-O 3.47Å; S119-E149 WeakPolarHBondContact OG-CB 3.15Å
120R88.9Confident86.2Confident111 Ų11136.4 Ų36.442%0.41917%0.167SC..Hα-helixtrans-63.6-42.3166.8-73.6-179.7-140.7138.95.8111.7A116 S117 I118 V122 L123 D124 W361A116-R120 VanDerWaalsContact O-CG 3.29Å; A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 2.71Å; A116-R120 VanDerWaalsContact O-N 3.16Å; S117-R120 PolarHBondContact O-N 3.04Å; I118-R120 PolarHBondContact O-N 3.01Å; R120-V122 VanDerWaalsContact C-N 3.32Å; R120-V122 PolarHBondContact O-N 3.48Å; R120-L123 WeakPolarHBondContact O-CB 3.21Å; R120-L123 PolarHBondContact O-N 3.34Å; R120-L123 VanDerWaalsContact O-N 3.09Å; R120-D124 PolarHBondContact O-N 3.22Å; R120-W361 HydrophobicContact CB-CZ2 4.26Å
121A90.1Very high86.6Confident0 Ų036.7 Ų36.70%017%0.167CC..Hα-helixtrans-59.5-42.9175.300000112.2S117 I118 L123 D124 I125 F241 L345 W361S117-A121 PolarHBondContact O-N 3.01Å; I118-A121 WeakPolarHBondContact O-CA 3.32Å; I118-A121 VanDerWaalsContact O-CB 3.3Å; I118-A121 WeakPolarHBondContact O-CB 3.45Å; I118-A121 PolarHBondContact O-N 3.28Å; I118-A121 VanDerWaalsContact O-N 3.11Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-D124 PolarHBondContact O-N 2.96Å; A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.06Å; A121-I125 VanDerWaalsContact O-N 3.12Å; A121-F241 HydrophobicContact CB-CE1 4.17Å; A121-F241 HydrophobicContact CB-CE2 4.34Å; A121-F241 HydrophobicContact CB-CZ 3.63Å; A121-L345 HydrophobicContact CB-CD1 4.03Å; A121-W361 HydrophobicContact CB-CD2 3.43Å; A121-W361 VanDerWaalsContact CB-CD2 3.43Å; A121-W361 VanDerWaalsContact CB-CE2 3.42Å; A121-W361 HydrophobicContact CB-CE3 3.83Å; A121-W361 HydrophobicContact CB-CG 3.82Å; A121-W361 HydrophobicContact CB-CH2 4.16Å; A121-W361 HydrophobicContact CB-CZ2 3.81Å; A121-W361 HydrophobicContact CB-CZ3 4.17Å
122V90.9Very high87Confident0 Ų043.3 Ų43.30%020%0.195CC..Hα-helixtrans-61.8-43.2173.61790000110.8I118 S119 R120 D124 I125 V126 L147 L150 I189 F217 T219 F241I118-V122 WeakPolarHBondContact O-CG2 3.44Å; I118-V122 PolarHBondContact O-N 2.76Å; S119-V122 PolarHBondContact O-N 3.3Å; R120-V122 VanDerWaalsContact C-N 3.32Å; R120-V122 PolarHBondContact O-N 3.48Å; V122-D124 PolarHBondContact O-N 3.22Å; V122-I125 PolarHBondContact O-N 3.12Å; V122-V126 HydrophobicContact CG1-CG2 4.47Å; V122-V126 WeakPolarHBondContact O-CG2 3.08Å; V122-V126 PolarHBondContact O-N 3.29Å; V122-L147 HydrophobicContact CG2-CD2 4.4Å; V122-L150 HydrophobicContact CG1-CD2 4.01Å; V122-I189 HydrophobicContact CG1-CD1 3.85Å; V122-F217 HydrophobicContact CG1-CE1 4.42Å; V122-F217 HydrophobicContact CG2-CE1 3.91Å; V122-T219 HydrophobicContact CG2-CG2 4.2Å; V122-F241 HydrophobicContact CG2-CE2 3.65Å; V122-F241 HydrophobicContact CG2-CZ 4.17Å
123L90Very high87.5Confident20 Ų2045.4 Ų45.411%0.10521%0.214CC..Hα-helixtrans-61.8-43.2177.9179.561.6000112S119 R120 A121 I125 V126 Q127 L150 A153 Y157S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 3.24Å; R120-L123 WeakPolarHBondContact O-CB 3.21Å; R120-L123 PolarHBondContact O-N 3.34Å; R120-L123 VanDerWaalsContact O-N 3.09Å; A121-L123 VanDerWaalsContact C-N 3.34Å; L123-I125 VanDerWaalsContact C-N 3.28Å; L123-I125 PolarHBondContact O-N 3.2Å; L123-V126 PolarHBondContact O-N 3.45Å; L123-Q127 HydrophobicContact CD1-CG 4.49Å; L123-Q127 WeakPolarHBondContact O-CG 3.48Å; L123-Q127 PolarHBondContact O-N 2.82Å; L123-L150 HydrophobicContact CD1-CD1 4.16Å; L123-A153 HydrophobicContact CD1-CB 3.56Å; L123-A153 HydrophobicContact CD2-CB 4.42Å; L123-Y157 HydrophobicContact CD2-CE2 4.35Å
124D90Very high87.9Confident44 Ų4445.4 Ų45.424%0.23521%0.213CC..Hα-helixtrans-61.9-37.4177.4-67.7-13.8000111.2R120 A121 V122 Q127 F128 W361 L367R120-D124 PolarHBondContact O-N 3.22Å; A121-D124 PolarHBondContact O-N 2.96Å; V122-D124 PolarHBondContact O-N 3.22Å; D124-Q127 PolarHBondContact O-N 2.97Å; D124-F128 WeakPolarHBondContact O-CB 3.41Å; D124-F128 PolarHBondContact O-N 3.39Å; D124-W361 PolarHBondContact OD2-NE1 2.73Å; D124-L367 HydrophobicContact CB-CB 4.09Å
125I89.8Confident88.4Confident4 Ų443.1 Ų43.12%0.02120%0.203CC..Hα-helixtrans-65.9-45.1174.2-72.4-176.9000111.8A121 V122 L123 Q127 F128 Y129 F217 F241 V347 L367A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.06Å; A121-I125 VanDerWaalsContact O-N 3.12Å; V122-I125 PolarHBondContact O-N 3.12Å; L123-I125 VanDerWaalsContact C-N 3.28Å; L123-I125 PolarHBondContact O-N 3.2Å; I125-Q127 PolarHBondContact O-N 3.14Å; I125-F128 PolarHBondContact O-N 3.25Å; I125-Y129 HydrophobicContact CG2-CD2 3.64Å; I125-Y129 HydrophobicContact CG2-CE2 3.69Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.13Å; I125-F217 HydrophobicContact CD1-CD2 4.36Å; I125-F217 HydrophobicContact CD1-CE2 3.36Å; I125-F217 HydrophobicContact CD1-CZ 3.7Å; I125-F217 HydrophobicContact CG2-CD2 3.96Å; I125-F217 HydrophobicContact CG2-CE2 3.96Å; I125-F241 HydrophobicContact CD1-CD1 4.45Å; I125-F241 HydrophobicContact CD1-CE1 3.45Å; I125-F241 VanDerWaalsContact CD1-CE1 3.45Å; I125-F241 HydrophobicContact CD1-CZ 3.67Å; I125-V347 HydrophobicContact CD1-CG1 3.97Å; I125-V347 HydrophobicContact CD1-CG2 4.08Å; I125-L367 HydrophobicContact CG1-CD1 4.49Å; I125-L367 HydrophobicContact CG1-CD2 3.92Å
126V90.3Very high88.9Confident2 Ų241.7 Ų41.71%0.01220%0.198CC..Hα-helixtrans-59.9-38.3176.6171.10000110.9V122 L123 K130 W131 V134 L150 I159 I189V122-V126 HydrophobicContact CG1-CG2 4.47Å; V122-V126 WeakPolarHBondContact O-CG2 3.08Å; V122-V126 PolarHBondContact O-N 3.29Å; L123-V126 PolarHBondContact O-N 3.45Å; V126-K130 PolarHBondContact O-N 3.42Å; V126-K130 VanDerWaalsContact O-N 3.17Å; V126-W131 HydrophobicContact CG1-CB 4.14Å; V126-W131 HydrophobicContact CG1-CE3 4.46Å; V126-W131 HydrophobicContact CG2-CE3 3.89Å; V126-W131 HydrophobicContact CG2-CZ3 4.19Å; V126-W131 PolarHBondContact O-N 2.86Å; V126-W131 VanDerWaalsContact O-N 3.08Å; V126-V134 HydrophobicContact CG1-CG2 4.07Å; V126-L150 HydrophobicContact CG2-CD1 4.2Å; V126-I159 HydrophobicContact CG1-CD1 3.94Å; V126-I189 HydrophobicContact CG2-CD1 3.95Å
127Q88.1Confident89.4Confident67 Ų6740.4 Ų40.431%0.31319%0.187SC..Hα-helixtrans-70.7-43175.6-71.4178.310.800112.5L123 D124 I125 Y129 K130 Y157L123-Q127 HydrophobicContact CD1-CG 4.49Å; L123-Q127 WeakPolarHBondContact O-CG 3.48Å; L123-Q127 PolarHBondContact O-N 2.82Å; D124-Q127 PolarHBondContact O-N 2.97Å; I125-Q127 PolarHBondContact O-N 3.14Å; Q127-Y129 PolarHBondContact O-N 2.96Å; Q127-K130 WeakPolarHBondContact O-CA 3.49Å; Q127-K130 WeakPolarHBondContact O-CG 3.21Å; Q127-K130 PolarHBondContact O-N 3.08Å; Q127-Y157 VanDerWaalsContact NE2-CE2 3.28Å; Q127-Y157 PolarHBondContact NE2-OH 3.34Å
128F87.4Confident89.6Confident95 Ų9541.5 Ų41.542%0.41719%0.191SC..Hα-helixtrans-58.7-48.7178176.5-94.7000111.5D124 I125 K130 L367 L369D124-F128 WeakPolarHBondContact O-CB 3.41Å; D124-F128 PolarHBondContact O-N 3.39Å; I125-F128 PolarHBondContact O-N 3.25Å; F128-K130 PolarHBondContact O-N 3.4Å; F128-L367 HydrophobicContact CB-CD2 3.83Å; F128-L367 HydrophobicContact CG-CD2 4.12Å; F128-L369 HydrophobicContact CD1-CD1 3.3Å; F128-L369 HydrophobicContact CD2-CD1 3.6Å; F128-L369 HydrophobicContact CE1-CD1 3.16Å; F128-L369 HydrophobicContact CE2-CB 4.44Å; F128-L369 HydrophobicContact CE2-CD1 3.46Å; F128-L369 VanDerWaalsContact CE2-CD1 3.46Å; F128-L369 HydrophobicContact CG-CD1 3.53Å; F128-L369 HydrophobicContact CZ-CB 4.4Å; F128-L369 HydrophobicContact CZ-CD1 3.24Å; F128-L369 HydrophobicContact CZ-CG 4.44Å
129Y85.9Confident89.5Confident70 Ų7043.9 Ų43.928%0.27520%0.202SC..THydrogen-bonded Turntrans-77.2-0.8175.7-68.3-64.3000114I125 Q127 W131 H215I125-Y129 HydrophobicContact CG2-CD2 3.64Å; I125-Y129 HydrophobicContact CG2-CE2 3.69Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.13Å; Q127-Y129 PolarHBondContact O-N 2.96Å; Y129-W131 VanDerWaalsContact C-N 3.26Å; Y129-W131 VanDerWaalsContact CB-CD1 3.49Å; Y129-W131 HydrophobicContact CD2-CZ2 4.2Å; Y129-W131 AromaticContact CG-NE1 3.94Å; Y129-W131 PolarHBondContact O-N 3.4Å; Y129-H215 AromaticContact CE1-CE1 3.91Å; Y129-H215 AromaticContact CE2-CE1 3.79Å; Y129-H215 AromaticContact CZ-CE1 3.74Å
130K87.5Confident89.2Confident179 Ų17946.6 Ų46.678%0.77822%0.216SC*.THydrogen-bonded Turntrans54.138.7177.9-57.9175.6-176.7171.70113.3V126 Q127 F128 K132V126-K130 PolarHBondContact O-N 3.42Å; V126-K130 VanDerWaalsContact O-N 3.17Å; Q127-K130 WeakPolarHBondContact O-CA 3.49Å; Q127-K130 WeakPolarHBondContact O-CG 3.21Å; Q127-K130 PolarHBondContact O-N 3.08Å; F128-K130 PolarHBondContact O-N 3.4Å; K130-K132 PolarHBondContact O-N 2.98Å
131W88.7Confident88.7Confident13 Ų1344.6 Ų44.65%0.04922%0.224CC..  trans-68.7126.7-179.7-65.8-7.9000111.4V126 Y129 V134 F187 I189 H215 F217V126-W131 HydrophobicContact CG1-CB 4.14Å; V126-W131 HydrophobicContact CG1-CE3 4.46Å; V126-W131 HydrophobicContact CG2-CE3 3.89Å; V126-W131 HydrophobicContact CG2-CZ3 4.19Å; V126-W131 PolarHBondContact O-N 2.86Å; V126-W131 VanDerWaalsContact O-N 3.08Å; Y129-W131 VanDerWaalsContact C-N 3.26Å; Y129-W131 VanDerWaalsContact CB-CD1 3.49Å; Y129-W131 HydrophobicContact CD2-CZ2 4.2Å; Y129-W131 AromaticContact CG-NE1 3.94Å; Y129-W131 PolarHBondContact O-N 3.4Å; W131-V134 HydrophobicContact CB-CG2 3.73Å; W131-V134 HydrophobicContact CD2-CG2 4.37Å; W131-V134 HydrophobicContact CE3-CG1 4.17Å; W131-V134 HydrophobicContact CE3-CG2 3.7Å; W131-V134 HydrophobicContact CG-CG2 4.46Å; W131-V134 HydrophobicContact CZ3-CG1 4.39Å; W131-F187 AromaticContact CD1-CD1 3.68Å; W131-F187 AromaticContact CD1-CE1 3.8Å; W131-F187 HydrophobicContact CD2-CB 4.05Å; W131-F187 AromaticContact CD2-CD1 3.84Å; W131-F187 HydrophobicContact CD2-CD1 3.84Å; W131-F187 HydrophobicContact CD2-CG 4.13Å; W131-F187 AromaticContact CE2-CD1 3.47Å; W131-F187 VanDerWaalsContact CE2-CD1 3.47Å; W131-F187 HydrophobicContact CE3-CB 4.08Å; W131-F187 HydrophobicContact CG-CB 4.49Å; W131-F187 AromaticContact CG-CD1 3.98Å; W131-F187 HydrophobicContact CG-CD1 3.98Å; W131-F187 HydrophobicContact CG-CE1 4.49Å; W131-F187 HydrophobicContact CG-CG 4.2Å; W131-F187 AromaticContact CZ2-CD1 3.99Å; W131-F187 HydrophobicContact CZ2-CD1 3.99Å; W131-F187 HydrophobicContact CZ3-CB 4.4Å; W131-F187 AromaticContact NE1-CD1 3.33Å; W131-F187 VanDerWaalsContact NE1-CD1 3.33Å; W131-F187 AromaticContact NE1-CE1 3.54Å; W131-I189 HydrophobicContact CZ3-CD1 4.33Å; W131-I189 HydrophobicContact CZ3-CG1 4.05Å; W131-H215 HydrophobicContact CZ2-CB 4.09Å; W131-H215 AromaticContact CZ2-CD2 3.73Å; W131-H215 AromaticContact CZ2-CE1 3.71Å; W131-H215 AromaticContact CZ2-CG 3.53Å; W131-H215 AromaticContact CZ2-ND1 3.54Å; W131-H215 AromaticContact CZ2-NE2 3.84Å; W131-F217 HydrophobicContact CH2-CB 4.08Å
132K84.4Confident88.1Confident168 Ų16846.9 Ų46.973%0.7324%0.237SC*.SBendtrans-93.6-24.3178.9-65.5-177179.6176.30113.6K130 K160K130-K132 PolarHBondContact O-N 2.98Å; K132-K160 PolarHBondContact O-N 3.02Å
133A89Confident87.5Confident53 Ų5346.9 Ų46.944%0.43824%0.237SC..EExtended strand (participates in β ladder)trans-138.6127178.500000109K160A133-K160 CarbonylContact C-O 3.56Å; A133-K160 VanDerWaalsContact CA-O 3.28Å; A133-K160 WeakPolarHBondContact CA-O 3.33Å; A133-K160 HydrophobicContact CB-CB 4.35Å
134V92.5Very high87.1Confident2 Ų248.4 Ų48.41%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-135.3137.8-173.6-176.20000109.3V126 W131 I159 K160 I161 K162 I189V126-V134 HydrophobicContact CG1-CG2 4.07Å; W131-V134 HydrophobicContact CB-CG2 3.73Å; W131-V134 HydrophobicContact CD2-CG2 4.37Å; W131-V134 HydrophobicContact CE3-CG1 4.17Å; W131-V134 HydrophobicContact CE3-CG2 3.7Å; W131-V134 HydrophobicContact CG-CG2 4.46Å; W131-V134 HydrophobicContact CZ3-CG1 4.39Å; V134-I159 HydrophobicContact CG2-CG2 4.12Å; V134-K160 PolarHBondContact N-O 3.15Å; V134-I161 CarbonylContact O-C 3.57Å; V134-I161 WeakPolarHBondContact O-CA 3.31Å; V134-K162 PolarHBondContact O-N 3.47Å; V134-I189 HydrophobicContact CG1-CD1 3.46Å; V134-I189 VanDerWaalsContact CG1-CD1 3.46Å; V134-I189 HydrophobicContact CG1-CG1 3.83Å
135T93.8Very high86.6Confident6 Ų649.4 Ų49.44%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-108.3122.5173.1-550000109.4V137 K162 R164 M180 E185 F187 V188 I189T135-V137 HydrophobicContact CG2-CG2 4.22Å; T135-K162 CarbonylContact C-O 3.51Å; T135-K162 WeakPolarHBondContact CA-O 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.19Å; T135-R164 HydrophobicContact CG2-CG 3.93Å; T135-M180 HydrophobicContact CG2-CE 4.42Å; T135-E185 VanDerWaalsContact CG2-OE2 3.29Å; T135-E185 WeakPolarHBondContact CG2-OE2 3.22Å; T135-E185 PolarHBondContact OG1-OE2 3.48Å; T135-F187 PolarHBondContact N-O 3.44Å; T135-V188 CarbonylContact O-C 3.38Å; T135-V188 WeakPolarHBondContact O-CA 3.4Å; T135-I189 PolarHBondContact O-N 2.93Å
136V93.1Very high86.3Confident2 Ų250.9 Ų50.91%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-98118175.2179.90000108.3L147 L150 I161 K162 R164V136-L147 HydrophobicContact CG1-CD1 3.57Å; V136-L150 HydrophobicContact CG2-CD2 3.8Å; V136-I161 HydrophobicContact CG2-CG2 3.96Å; V136-K162 PolarHBondContact N-O 3.34Å; V136-R164 PolarHBondContact O-N 2.96Å
137V92.6Very high86Confident1 Ų151 Ų511%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-108.9118.9176179.90000108.1T135 R164 L166 L176 M180 V188 I189 F190 D191T135-V137 HydrophobicContact CG2-CG2 4.22Å; V137-R164 VanDerWaalsContact CA-O 3.32Å; V137-R164 WeakPolarHBondContact CA-O 3.47Å; V137-R164 HydrophobicContact CG2-CB 4.25Å; V137-L166 HydrophobicContact CG1-CD1 4.16Å; V137-L166 HydrophobicContact CG1-CD2 3.78Å; V137-L166 HydrophobicContact CG1-CG 3.65Å; V137-L176 HydrophobicContact CG1-CD2 4.39Å; V137-M180 HydrophobicContact CG2-CE 3.88Å; V137-M180 HydrophobicContact CG2-SD 4.11Å; V137-V188 HydrophobicContact CB-CG1 4.35Å; V137-V188 HydrophobicContact CG2-CG1 3.58Å; V137-I189 PolarHBondContact N-O 3.42Å; V137-F190 HydrophobicContact CB-CD1 3.75Å; V137-F190 HydrophobicContact CB-CE1 3.88Å; V137-F190 HydrophobicContact CG1-CD1 3.87Å; V137-F190 HydrophobicContact CG1-CE1 3.89Å; V137-F190 HydrophobicContact CG2-CD1 4.4Å; V137-F190 HydrophobicContact CG2-CE1 4.07Å; V137-D191 PolarHBondContact O-N 2.84Å
138Y91.3Very high85.8Confident27 Ų2752.3 Ų52.311%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-123.7149.9-17766.6-85.6000112.1D140 L144 I163 R164 Q165 L166 D191Y138-D140 WeakPolarHBondContact CD2-O 3.07Å; Y138-L144 HydrophobicContact CD1-CD2 4.14Å; Y138-L144 HydrophobicContact CD1-CG 4.25Å; Y138-L144 HydrophobicContact CD2-CG 4.23Å; Y138-L144 HydrophobicContact CE1-CD1 4.26Å; Y138-L144 HydrophobicContact CE1-CD2 3.85Å; Y138-L144 HydrophobicContact CE1-CG 4.01Å; Y138-L144 HydrophobicContact CE2-CD1 3.81Å; Y138-L144 HydrophobicContact CE2-CG 3.91Å; Y138-L144 HydrophobicContact CG-CG 4.36Å; Y138-I163 HydrophobicContact CD1-CG2 3.97Å; Y138-I163 HydrophobicContact CE1-CG2 3.44Å; Y138-I163 VanDerWaalsContact CE1-CG2 3.44Å; Y138-R164 WeakPolarHBondContact CD1-O 3.38Å; Y138-R164 VanDerWaalsContact CE1-O 3.29Å; Y138-R164 WeakPolarHBondContact CE1-O 3.35Å; Y138-R164 PolarHBondContact N-O 3.43Å; Y138-Q165 HydrophobicContact CD2-CG 4.04Å; Y138-Q165 HydrophobicContact CE1-CB 4.03Å; Y138-Q165 HydrophobicContact CE2-CB 3.86Å; Y138-Q165 HydrophobicContact CE2-CG 3.48Å; Y138-Q165 VanDerWaalsContact CE2-CG 3.48Å; Y138-Q165 WeakPolarHBondContact O-CA 3.46Å; Y138-L166 PolarHBondContact O-N 3.14Å; Y138-D191 WeakPolarHBondContact CA-O 3Å
139E86.6Confident85.6Confident55 Ų5550.4 Ų50.426%0.25725%0.254SS..SBendtrans-81-53.6-179-178.9171.2-160.800112.9L166 D191 C192 S193 T196E139-L166 HydrophobicContact CB-CD1 4.41Å; E139-D191 PolarHBondContact N-O 3.32Å; E139-D191 VanDerWaalsContact N-O 3.1Å; E139-C192 HydrophobicContact CB-CB 3.94Å; E139-C192 WeakPolarHBondContact OE2-CA 3.4Å; E139-S193 PolarHBondContact OE2-N 2.87Å; E139-S193 PolarHBondContact OE2-OG 3.1Å; E139-T196 PolarHBondContact OE1-OG1 3.48Å
140D82.4Confident85.6Confident60 Ų6047.1 Ų47.132%0.32124%0.242SC..SBendtrans-121.4159-172.958.618.1000112.4Y138 T142 G143 R146Y138-D140 WeakPolarHBondContact CD2-O 3.07Å; D140-T142 PolarHBondContact O-N 2.88Å; D140-T142 PolarHBondContact OD1-OG1 3.3Å; D140-T142 PolarHBondContact OD2-OG1 2.93Å; D140-G143 PolarHBondContact O-N 2.96Å; D140-G143 PolarHBondContact OD1-N 2.8Å; D140-R146 IonicContact OD1-NH2 3.35Å
141A79.1Confident85.6Confident69 Ų6941.3 Ų41.357%0.5722%0.218SC*.Hα-helixtrans-57.7-23.1178.500000112.7G143A141-G143 VanDerWaalsContact C-N 3.35Å
142T77.6Confident85.5Confident47 Ų4745.2 Ų45.229%0.28824%0.236SC..Hα-helixtrans-70.7-26.5174.449.30000113.6W96 D140 L144 I145 R146W96-T142 HydrophobicContact CZ3-CG2 3.91Å; D140-T142 PolarHBondContact O-N 2.88Å; D140-T142 PolarHBondContact OD1-OG1 3.3Å; D140-T142 PolarHBondContact OD2-OG1 2.93Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.31Å; T142-I145 WeakPolarHBondContact O-CB 3.39Å; T142-I145 PolarHBondContact O-N 3.47Å; T142-R146 WeakPolarHBondContact O-CG 3.16Å; T142-R146 PolarHBondContact O-N 2.85Å
143G77.5Confident85.4Confident0 Ų037.3 Ų37.30%020%0.202CC..Hα-helixtrans-57.6-36.8175.800000113.9D140 A141 I145 R146 L147 D191D140-G143 PolarHBondContact O-N 2.96Å; D140-G143 PolarHBondContact OD1-N 2.8Å; A141-G143 VanDerWaalsContact C-N 3.35Å; G143-I145 VanDerWaalsContact C-N 3.28Å; G143-I145 PolarHBondContact O-N 2.9Å; G143-R146 WeakPolarHBondContact O-CB 3.43Å; G143-R146 PolarHBondContact O-N 2.94Å; G143-L147 PolarHBondContact O-N 3.2Å; G143-D191 WeakPolarHBondContact CA-OD2 3.38Å
144L81.1Confident85.2Confident52 Ų5237.3 Ų37.327%0.27220%0.197SC..Hα-helixtrans-60.9-38174-72.5161.9000112.5Y138 T142 L147 Q148 I151 I163Y138-L144 HydrophobicContact CD1-CD2 4.14Å; Y138-L144 HydrophobicContact CD1-CG 4.25Å; Y138-L144 HydrophobicContact CD2-CG 4.23Å; Y138-L144 HydrophobicContact CE1-CD1 4.26Å; Y138-L144 HydrophobicContact CE1-CD2 3.85Å; Y138-L144 HydrophobicContact CE1-CG 4.01Å; Y138-L144 HydrophobicContact CE2-CD1 3.81Å; Y138-L144 HydrophobicContact CE2-CG 3.91Å; Y138-L144 HydrophobicContact CG-CG 4.36Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.31Å; L144-L147 CarbonylContact O-C 3.41Å; L144-L147 PolarHBondContact O-N 3.17Å; L144-Q148 PolarHBondContact O-N 2.98Å; L144-I151 HydrophobicContact CB-CD1 4.37Å; L144-I151 HydrophobicContact CD2-CD1 3.75Å; L144-I151 WeakPolarHBondContact O-CD1 3.35Å; L144-I163 HydrophobicContact CD2-CG2 3.71Å
145I81Confident84.8Confident65 Ų6542.8 Ų42.833%0.33324%0.236SC..Hα-helixtrans-72.7-38.4179.9-52175.6000109.5W96 T142 G143 L147 Q148W96-I145 HydrophobicContact CH2-CB 4.08Å; W96-I145 HydrophobicContact CH2-CG2 3.88Å; W96-I145 HydrophobicContact CZ2-CG2 4.06Å; T142-I145 WeakPolarHBondContact O-CB 3.39Å; T142-I145 PolarHBondContact O-N 3.47Å; G143-I145 VanDerWaalsContact C-N 3.28Å; G143-I145 PolarHBondContact O-N 2.9Å; I145-L147 VanDerWaalsContact C-N 3.27Å; I145-L147 PolarHBondContact O-N 3.1Å; I145-Q148 WeakPolarHBondContact O-CB 3.17Å; I145-Q148 PolarHBondContact O-N 3.45Å
146R82Confident84.3Confident35 Ų3552.2 Ų52.213%0.13227%0.27CS..Hα-helixtrans-63.2-32.9176.1-67.2-179.8-30.9-169.9-11112.5W96 Y115 S119 D140 T142 G143 D191W96-R146 HydrophobicContact CD2-CG 4.21Å; W96-R146 HydrophobicContact CE3-CG 4.3Å; W96-R146 HydrophobicContact CH2-CG 4.45Å; W96-R146 HydrophobicContact CZ2-CG 4.38Å; W96-R146 HydrophobicContact CZ3-CG 4.44Å; Y115-R146 HydrophobicContact CD1-CB 3.46Å; Y115-R146 VanDerWaalsContact CD1-CB 3.46Å; Y115-R146 HydrophobicContact CD1-CG 3.55Å; Y115-R146 HydrophobicContact CD2-CG 4.44Å; Y115-R146 HydrophobicContact CE1-CB 3.92Å; Y115-R146 HydrophobicContact CE1-CG 3.7Å; Y115-R146 HydrophobicContact CG-CB 4.05Å; Y115-R146 HydrophobicContact CG-CG 3.88Å; S119-R146 WeakPolarHBondContact CB-O 3.47Å; D140-R146 IonicContact OD1-NH2 3.35Å; T142-R146 WeakPolarHBondContact O-CG 3.16Å; T142-R146 PolarHBondContact O-N 2.85Å; G143-R146 WeakPolarHBondContact O-CB 3.43Å; G143-R146 PolarHBondContact O-N 2.94Å; R146-D191 IonicContact CZ-OD1 3.17Å; R146-D191 IonicContact CZ-OD2 2.75Å; R146-D191 IonicContact NE-OD1 3.78Å; R146-D191 IonicContact NE-OD2 2.84Å; R146-D191 PolarHBondContact NE-OD2 3.04Å; R146-D191 IonicContact NH2-OD1 3.61Å; R146-D191 PolarHBondContact NH2-OD1 2.58Å; R146-D191 IonicContact NH2-OD2 2.87Å; R146-D191 PolarHBondContact NH2-OD2 2.92Å
147L84.6Confident83.7Confident4 Ų456.8 Ų56.82%0.02129%0.288CS..THydrogen-bonded Turntrans-10221.2179.7-66.2179.1000113.8V122 V136 G143 L144 I145 E149 L150 I151 D191 T219V122-L147 HydrophobicContact CG2-CD2 4.4Å; V136-L147 HydrophobicContact CG1-CD1 3.57Å; G143-L147 PolarHBondContact O-N 3.2Å; L144-L147 CarbonylContact O-C 3.41Å; L144-L147 PolarHBondContact O-N 3.17Å; I145-L147 VanDerWaalsContact C-N 3.27Å; I145-L147 PolarHBondContact O-N 3.1Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 2.87Å; L147-L150 WeakPolarHBondContact O-CB 3.49Å; L147-L150 PolarHBondContact O-N 2.83Å; L147-I151 WeakPolarHBondContact O-CG1 3.4Å; L147-I151 PolarHBondContact O-N 3.12Å; L147-D191 HydrophobicContact CD1-CB 3.76Å; L147-T219 HydrophobicContact CD2-CG2 4.29Å
148Q84.5Confident83.4Confident95 Ų9563.5 Ų63.544%0.44433%0.329SS..Hα-helixtrans-57.8-38.6-174.1-171.8-176.316.300113.6L144 I145 L150 I151 K152L144-Q148 PolarHBondContact O-N 2.98Å; I145-Q148 WeakPolarHBondContact O-CB 3.17Å; I145-Q148 PolarHBondContact O-N 3.45Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 3.21Å; Q148-I151 PolarHBondContact O-N 3.18Å; Q148-K152 HydrophobicContact CG-CD 4.33Å; Q148-K152 VanDerWaalsContact NE2-CE 3.34Å; Q148-K152 WeakPolarHBondContact O-CG 3.31Å; Q148-K152 PolarHBondContact O-N 3.4Å
149E83.4Confident83.2Confident55 Ų5563.1 Ų63.126%0.25733%0.329SS..Hα-helixtrans-67.5-33.7179-65.5-60114.700112.4S119 L147 K152 A153S119-E149 WeakPolarHBondContact OG-CB 3.15Å; L147-E149 VanDerWaalsContact C-N 3.31Å; L147-E149 PolarHBondContact O-N 2.87Å; E149-K152 PolarHBondContact O-N 3.34Å; E149-K152 IonicContact OE1-NZ 2.77Å; E149-K152 PolarHBondContact OE1-NZ 3.49Å; E149-A153 PolarHBondContact O-N 3.45Å
150L85.9Confident83.3Confident2 Ų268.4 Ų68.41%0.0135%0.351CS..Hα-helixtrans-68.4-40.9172.5-178.368.3000110.9V122 L123 V126 V136 L147 Q148 K152 A153 I161 I189V122-L150 HydrophobicContact CG1-CD2 4.01Å; L123-L150 HydrophobicContact CD1-CD1 4.16Å; V126-L150 HydrophobicContact CG2-CD1 4.2Å; V136-L150 HydrophobicContact CG2-CD2 3.8Å; L147-L150 WeakPolarHBondContact O-CB 3.49Å; L147-L150 PolarHBondContact O-N 2.83Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 3.21Å; L150-K152 VanDerWaalsContact C-N 3.29Å; L150-K152 PolarHBondContact O-N 3.11Å; L150-A153 WeakPolarHBondContact O-CB 3.24Å; L150-A153 PolarHBondContact O-N 3.16Å; L150-A153 VanDerWaalsContact O-N 3.09Å; L150-I161 HydrophobicContact CG-CD1 4.34Å; L150-I161 WeakPolarHBondContact O-CD1 3.27Å; L150-I189 HydrophobicContact CD2-CD1 3.65Å
151I86.9Confident83.6Confident56 Ų5667.3 Ų67.329%0.28735%0.345SS..Hα-helixtrans-67.2-30.8178.9-63.9170000111.7L144 L147 Q148 A153 P154 I163L144-I151 HydrophobicContact CB-CD1 4.37Å; L144-I151 HydrophobicContact CD2-CD1 3.75Å; L144-I151 WeakPolarHBondContact O-CD1 3.35Å; L147-I151 WeakPolarHBondContact O-CG1 3.4Å; L147-I151 PolarHBondContact O-N 3.12Å; Q148-I151 PolarHBondContact O-N 3.18Å; I151-A153 VanDerWaalsContact C-N 3.32Å; I151-P154 WeakPolarHBondContact O-CD 3.4Å; I151-I163 HydrophobicContact CG1-CD1 4.49Å; I151-I163 HydrophobicContact CG2-CD1 4.41Å
152K86.9Confident84.2Confident95 Ų9568.4 Ų68.441%0.41334%0.337SS..Hα-helixtrans-77.4-15.3173-70171.8-174.6159.90113.4Q148 E149 L150 S155Q148-K152 HydrophobicContact CG-CD 4.33Å; Q148-K152 VanDerWaalsContact NE2-CE 3.34Å; Q148-K152 WeakPolarHBondContact O-CG 3.31Å; Q148-K152 PolarHBondContact O-N 3.4Å; E149-K152 PolarHBondContact O-N 3.34Å; E149-K152 IonicContact OE1-NZ 2.77Å; E149-K152 PolarHBondContact OE1-NZ 3.49Å; L150-K152 VanDerWaalsContact C-N 3.29Å; L150-K152 PolarHBondContact O-N 3.11Å; K152-S155 PolarHBondContact O-N 3.27Å
153A82.5Confident84.8Confident2 Ų269.9 Ų69.92%0.01734%0.342CS..G310 helixtrans-58.9-36.2-175.600000115.3L123 E149 L150 I151 S155 R156 Y157L123-A153 HydrophobicContact CD1-CB 3.56Å; L123-A153 HydrophobicContact CD2-CB 4.42Å; E149-A153 PolarHBondContact O-N 3.45Å; L150-A153 WeakPolarHBondContact O-CB 3.24Å; L150-A153 PolarHBondContact O-N 3.16Å; L150-A153 VanDerWaalsContact O-N 3.09Å; I151-A153 VanDerWaalsContact C-N 3.32Å; A153-S155 PolarHBondContact O-N 3.31Å; A153-S155 VanDerWaalsContact O-N 3.09Å; A153-R156 PolarHBondContact O-N 2.91Å; A153-Y157 HydrophobicContact CB-CD2 4.22Å; A153-Y157 WeakPolarHBondContact O-CD2 3.44Å; A153-Y157 PolarHBondContact O-N 2.77Å
154P84.3Confident85.4Confident54 Ų5472.7 Ų72.735%0.35135%0.353SS..G310 helixtrans-59.6-22.6179.3-26.837.4000114.5I151 R156 Y157 I161I151-P154 WeakPolarHBondContact O-CD 3.4Å; P154-R156 VanDerWaalsContact C-N 3.26Å; P154-R156 PolarHBondContact O-N 2.98Å; P154-Y157 CarbonylContact C-O 3.56Å; P154-Y157 WeakPolarHBondContact CA-O 3.19Å; P154-I161 HydrophobicContact CG-CB 4.35Å; P154-I161 HydrophobicContact CG-CD1 3.46Å; P154-I161 VanDerWaalsContact CG-CD1 3.46Å; P154-I161 HydrophobicContact CG-CG1 3.8Å
155S83.3Confident85.9Confident116 Ų11674.4 Ų74.481%0.81136%0.36SS*.G310 helixtrans-72.1-21.8174.8-55.50000112.8K152 A153K152-S155 PolarHBondContact O-N 3.27Å; A153-S155 PolarHBondContact O-N 3.31Å; A153-S155 VanDerWaalsContact O-N 3.09Å
156R82.9Confident86.2Confident204 Ų20471.9 Ų71.977%0.7735%0.346SS*.THydrogen-bonded Turntrans-111.2-25.6-177.4-64-176.9-179.5179.10.8113A153 P154A153-R156 PolarHBondContact O-N 2.91Å; P154-R156 VanDerWaalsContact C-N 3.26Å; P154-R156 PolarHBondContact O-N 2.98Å
157Y82.2Confident86.3Confident98 Ų9872.9 Ų72.938%0.38436%0.358SS..SBendtrans-129.9147.4-175.5-56.2-78.5000110.3L123 Q127 A153 P154 I159L123-Y157 HydrophobicContact CD2-CE2 4.35Å; Q127-Y157 VanDerWaalsContact NE2-CE2 3.28Å; Q127-Y157 PolarHBondContact NE2-OH 3.34Å; A153-Y157 HydrophobicContact CB-CD2 4.22Å; A153-Y157 WeakPolarHBondContact O-CD2 3.44Å; A153-Y157 PolarHBondContact O-N 2.77Å; P154-Y157 CarbonylContact C-O 3.56Å; P154-Y157 WeakPolarHBondContact CA-O 3.19Å; Y157-I159 HydrophobicContact CG-CD1 4.46Å; Y157-I159 PolarHBondContact O-N 3.12Å
158T84.7Confident85.5Confident142 Ų14277.4 Ų77.487%0.87139%0.39SS*.  trans-76.852.2179.848.90000112.7
159I87Confident84.5Confident20 Ų2077 Ų7710%0.10341%0.411CS..  trans-105.9128.5-178-55.2170.2000109.3V126 V134 Y157 I161V126-I159 HydrophobicContact CG1-CD1 3.94Å; V134-I159 HydrophobicContact CG2-CG2 4.12Å; Y157-I159 HydrophobicContact CG-CD1 4.46Å; Y157-I159 PolarHBondContact O-N 3.12Å; I159-I161 HydrophobicContact CG2-CG1 4.05Å
160K88.9Confident83.8Confident165 Ų16577.6 Ų77.672%0.71742%0.421SS*.EExtended strand (participates in β ladder)trans-89.3117.5172.2-66.2-178.2-180179.60109.6K132 A133 V134K132-K160 PolarHBondContact O-N 3.02Å; A133-K160 CarbonylContact C-O 3.56Å; A133-K160 VanDerWaalsContact CA-O 3.28Å; A133-K160 WeakPolarHBondContact CA-O 3.33Å; A133-K160 HydrophobicContact CB-CB 4.35Å; V134-K160 PolarHBondContact N-O 3.15Å
161I89.8Confident83.2Confident38 Ų3885.6 Ų85.620%0.19546%0.456CS..EExtended strand (participates in β ladder)trans-107.7128178.4-58.6179.2000109.8V134 V136 L150 P154 I159 I163V134-I161 CarbonylContact O-C 3.57Å; V134-I161 WeakPolarHBondContact O-CA 3.31Å; V136-I161 HydrophobicContact CG2-CG2 3.96Å; L150-I161 HydrophobicContact CG-CD1 4.34Å; L150-I161 WeakPolarHBondContact O-CD1 3.27Å; P154-I161 HydrophobicContact CG-CB 4.35Å; P154-I161 HydrophobicContact CG-CD1 3.46Å; P154-I161 VanDerWaalsContact CG-CD1 3.46Å; P154-I161 HydrophobicContact CG-CG1 3.8Å; I159-I161 HydrophobicContact CG2-CG1 4.05Å; I161-I163 HydrophobicContact CG2-CG1 3.95Å
162K91.2Very high83Confident92 Ų9285.1 Ų85.140%0.445%0.454SS..EExtended strand (participates in β ladder)trans-105.1139.7166.6-70.7179.8176.3176.70109V134 T135 V136 E185V134-K162 PolarHBondContact O-N 3.47Å; T135-K162 CarbonylContact C-O 3.51Å; T135-K162 WeakPolarHBondContact CA-O 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.19Å; V136-K162 PolarHBondContact N-O 3.34Å; K162-E185 HydrophobicContact CD-CG 4.31Å; K162-E185 WeakPolarHBondContact CD-OE1 3.2Å; K162-E185 IonicContact NZ-OE1 3.49Å; K162-E185 PolarHBondContact NZ-OE1 3.49Å
163I91.3Very high82.9Confident78 Ų7880.8 Ų80.840%0.444%0.436SS..EExtended strand (participates in β ladder)trans-121.3125.9-174.2-57.5171000108.2Y138 L144 I151 I161Y138-I163 HydrophobicContact CD1-CG2 3.97Å; Y138-I163 HydrophobicContact CE1-CG2 3.44Å; Y138-I163 VanDerWaalsContact CE1-CG2 3.44Å; L144-I163 HydrophobicContact CD2-CG2 3.71Å; I151-I163 HydrophobicContact CG1-CD1 4.49Å; I151-I163 HydrophobicContact CG2-CD1 4.41Å; I161-I163 HydrophobicContact CG2-CG1 3.95Å
164R90Very high83.1Confident59 Ų5986.8 Ų86.822%0.22346%0.458CS..EExtended strand (participates in β ladder)trans-134.3136.8-175.7-60.4-64.3-170.1162.65.1110T135 V136 V137 Y138 L176 E179 E185T135-R164 HydrophobicContact CG2-CG 3.93Å; V136-R164 PolarHBondContact O-N 2.96Å; V137-R164 VanDerWaalsContact CA-O 3.32Å; V137-R164 WeakPolarHBondContact CA-O 3.47Å; V137-R164 HydrophobicContact CG2-CB 4.25Å; Y138-R164 WeakPolarHBondContact CD1-O 3.38Å; Y138-R164 VanDerWaalsContact CE1-O 3.29Å; Y138-R164 WeakPolarHBondContact CE1-O 3.35Å; Y138-R164 PolarHBondContact N-O 3.43Å; R164-L176 HydrophobicContact CB-CD1 4.06Å; R164-L176 HydrophobicContact CB-CD2 4.4Å; R164-L176 HydrophobicContact CG-CD1 4.21Å; R164-E179 IonicContact CZ-OE1 3.85Å; R164-E179 IonicContact CZ-OE2 3.4Å; R164-E179 IonicContact NH1-OE1 3.75Å; R164-E179 PolarHBondContact NH1-OE1 2.97Å; R164-E179 IonicContact NH1-OE2 3.3Å; R164-E179 PolarHBondContact NH1-OE2 3.19Å; R164-E179 VanDerWaalsContact NH1-OE2 3.14Å; R164-E179 IonicContact NH2-OE1 3.6Å; R164-E179 PolarHBondContact NH2-OE1 3.19Å; R164-E185 IonicContact NH2-OE1 2.87Å
165Q90.5Very high83.4Confident88 Ų8888.4 Ų88.441%0.41147%0.468SS..EExtended strand (participates in β ladder)trans-100.4138.1175.7-166.2177.12.300110.3Y138 S168Y138-Q165 HydrophobicContact CD2-CG 4.04Å; Y138-Q165 HydrophobicContact CE1-CB 4.03Å; Y138-Q165 HydrophobicContact CE2-CB 3.86Å; Y138-Q165 HydrophobicContact CE2-CG 3.48Å; Y138-Q165 VanDerWaalsContact CE2-CG 3.48Å; Y138-Q165 WeakPolarHBondContact O-CA 3.46Å; Q165-S168 PolarHBondContact NE2-OG 3.28Å
166L88.4Confident83.7Confident11 Ų1184 Ų846%0.05844%0.436CS..  trans-70.7140.8168.1-70.4167.8000110.2V137 Y138 E139 S168 A173 L176 C192 T196 V200V137-L166 HydrophobicContact CG1-CD1 4.16Å; V137-L166 HydrophobicContact CG1-CD2 3.78Å; V137-L166 HydrophobicContact CG1-CG 3.65Å; Y138-L166 PolarHBondContact O-N 3.14Å; E139-L166 HydrophobicContact CB-CD1 4.41Å; L166-S168 PolarHBondContact O-N 3.42Å; L166-S168 VanDerWaalsContact O-N 3.07Å; L166-A173 HydrophobicContact CD2-CB 3.88Å; L166-L176 HydrophobicContact CD2-CD2 4.09Å; L166-C192 HydrophobicContact CD1-CB 4.2Å; L166-T196 HydrophobicContact CD1-CG2 3.88Å; L166-V200 HydrophobicContact CD1-CG2 4.3Å; L166-V200 HydrophobicContact CD2-CG2 4.18Å
167P83.1Confident84Confident57 Ų5774.4 Ų74.437%0.3740%0.4SS..  trans-62.9114.1-178.322.6-30000111.2G169 D172P167-G169 PolarHBondContact O-N 3.34Å; P167-D172 WeakPolarHBondContact CG-O 3.48Å
168S67.6Low84.3Confident99 Ų9976.7 Ų76.769%0.69241%0.412SS*.THydrogen-bonded Turntrans-71.5-13.9-173.2-43.90000114.7Q165 L166Q165-S168 PolarHBondContact NE2-OG 3.28Å; L166-S168 PolarHBondContact O-N 3.42Å; L166-S168 VanDerWaalsContact O-N 3.07Å
169G64.1Low84.6Confident86 Ų8674.4 Ų74.489%0.88739%0.391SS*.THydrogen-bonded Turntrans-110-8.1-176.500000115.5P167P167-G169 PolarHBondContact O-N 3.34Å
170S69.2Low84.7Confident67 Ų6773.5 Ų73.547%0.46939%0.386SS..  trans-138.2133.1179.21770000109.1D172S170-D172 PolarHBondContact O-N 3.18Å; S170-D172 WeakPolarHBondContact OG-CB 3.36Å; S170-D172 PolarHBondContact OG-N 2.04Å
171K71.7Confident84.6Confident171 Ų17170.1 Ų70.174%0.74337%0.372SS*.SBendtrans-66.5-4.6173.5-65.4-168.4172.2-159.70113.2A173 D199 Q203K171-A173 PolarHBondContact O-N 3.34Å; K171-D199 IonicContact NZ-OD2 3.3Å; K171-Q203 PolarHBondContact O-NE2 3.28Å
172D82.8Confident84.4Confident45 Ų4577 Ų7724%0.24140%0.4CS..  trans-88.3102.1-178.8-168.26.1000112.4P167 S170 R174P167-D172 WeakPolarHBondContact CG-O 3.48Å; S170-D172 PolarHBondContact O-N 3.18Å; S170-D172 WeakPolarHBondContact OG-CB 3.36Å; S170-D172 PolarHBondContact OG-N 2.04Å; D172-R174 VanDerWaalsContact CG-NE 3.3Å; D172-R174 WeakPolarHBondContact OD1-CB 3.41Å; D172-R174 WeakPolarHBondContact OD1-CG 3.34Å; D172-R174 IonicContact OD1-CZ 3.39Å; D172-R174 PolarHBondContact OD1-N 2.85Å; D172-R174 IonicContact OD1-NE 3.12Å; D172-R174 PolarHBondContact OD1-NE 2.8Å; D172-R174 IonicContact OD1-NH2 3.02Å; D172-R174 IonicContact OD2-CZ 3.82Å; D172-R174 IonicContact OD2-NE 3.4Å; D172-R174 PolarHBondContact OD2-NE 3.42Å; D172-R174 VanDerWaalsContact OD2-NE 3.17Å; D172-R174 IonicContact OD2-NH2 3.19Å; D172-R174 PolarHBondContact OD2-NH2 3.38Å
173A85.4Confident84Confident5 Ų574.3 Ų74.34%0.04140%0.398CS..  trans-90.9-0.9173.800000113.1L166 K171 P175 L176 L177 Q203L166-A173 HydrophobicContact CD2-CB 3.88Å; K171-A173 PolarHBondContact O-N 3.34Å; A173-P175 VanDerWaalsContact C-CD 3.43Å; A173-L176 WeakPolarHBondContact O-CB 3.43Å; A173-L176 PolarHBondContact O-N 3.33Å; A173-L176 VanDerWaalsContact O-N 3.1Å; A173-L177 WeakPolarHBondContact O-CG 3.42Å; A173-L177 PolarHBondContact O-N 2.97Å; A173-Q203 VanDerWaalsContact CA-OE1 3.3Å
174R87.6Confident83.6Confident127 Ų12774.2 Ų74.248%0.47940%0.395SS..Hα-helixtrans-55.2-38.9-177.9-65.5174.8-66.6-173.3-0.8114.4D172 L176 L177 K178 Q203 M207D172-R174 VanDerWaalsContact CG-NE 3.3Å; D172-R174 WeakPolarHBondContact OD1-CB 3.41Å; D172-R174 WeakPolarHBondContact OD1-CG 3.34Å; D172-R174 IonicContact OD1-CZ 3.39Å; D172-R174 PolarHBondContact OD1-N 2.85Å; D172-R174 IonicContact OD1-NE 3.12Å; D172-R174 PolarHBondContact OD1-NE 2.8Å; D172-R174 IonicContact OD1-NH2 3.02Å; D172-R174 IonicContact OD2-CZ 3.82Å; D172-R174 IonicContact OD2-NE 3.4Å; D172-R174 PolarHBondContact OD2-NE 3.42Å; D172-R174 VanDerWaalsContact OD2-NE 3.17Å; D172-R174 IonicContact OD2-NH2 3.19Å; D172-R174 PolarHBondContact OD2-NH2 3.38Å; R174-L176 VanDerWaalsContact C-N 3.34Å; R174-L176 PolarHBondContact O-N 2.77Å; R174-L177 PolarHBondContact O-N 3.26Å; R174-K178 WeakPolarHBondContact O-CB 3.22Å; R174-K178 PolarHBondContact O-N 3.09Å; R174-Q203 HydrophobicContact CG-CB 4.3Å; R174-Q203 HydrophobicContact CG-CG 4.29Å; R174-M207 HydrophobicContact CB-SD 4.33Å; R174-M207 HydrophobicContact CG-CG 4.36Å; R174-M207 HydrophobicContact CG-SD 4.35Å
175P89.5Confident83.5Confident88 Ų8871.8 Ų71.857%0.57139%0.386SS*.Hα-helixtrans-61.7-41.8176.8-23.734.8000112.6A173 K178 E179A173-P175 VanDerWaalsContact C-CD 3.43Å; P175-K178 PolarHBondContact O-N 2.94Å; P175-E179 PolarHBondContact O-N 3.15Å; P175-E179 VanDerWaalsContact O-N 3.13Å
176L89.8Confident83.4Confident23 Ų2369.9 Ų69.912%0.1238%0.376CS..Hα-helixtrans-65.4-48.3175.817766.3000110.3V137 R164 L166 A173 R174 K178 E179 M180V137-L176 HydrophobicContact CG1-CD2 4.39Å; R164-L176 HydrophobicContact CB-CD1 4.06Å; R164-L176 HydrophobicContact CB-CD2 4.4Å; R164-L176 HydrophobicContact CG-CD1 4.21Å; L166-L176 HydrophobicContact CD2-CD2 4.09Å; A173-L176 WeakPolarHBondContact O-CB 3.43Å; A173-L176 PolarHBondContact O-N 3.33Å; A173-L176 VanDerWaalsContact O-N 3.1Å; R174-L176 VanDerWaalsContact C-N 3.34Å; R174-L176 PolarHBondContact O-N 2.77Å; L176-K178 PolarHBondContact O-N 3.33Å; L176-E179 WeakPolarHBondContact O-CA 3.42Å; L176-E179 WeakPolarHBondContact O-CB 3.39Å; L176-E179 PolarHBondContact O-N 3.32Å; L176-M180 HydrophobicContact CD1-CG 4.44Å; L176-M180 HydrophobicContact CD2-SD 4.4Å; L176-M180 HydrophobicContact CG-CG 4.36Å; L176-M180 HydrophobicContact CG-SD 3.96Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.45Å; L176-M180 PolarHBondContact O-N 2.86Å
177L89.9Confident83.6Confident4 Ų472.8 Ų72.82%0.02139%0.389CS..Hα-helixtrans-57.9-37.3176.9-67176.8000112A173 R174 M180 K181 Q203 I204 M207 M209A173-L177 WeakPolarHBondContact O-CG 3.42Å; A173-L177 PolarHBondContact O-N 2.97Å; R174-L177 PolarHBondContact O-N 3.26Å; L177-M180 HydrophobicContact CD2-SD 4.04Å; L177-M180 PolarHBondContact O-N 2.85Å; L177-K181 WeakPolarHBondContact O-CB 3.25Å; L177-K181 PolarHBondContact O-N 2.92Å; L177-Q203 HydrophobicContact CD1-CB 3.82Å; L177-I204 HydrophobicContact CD1-CG1 3.89Å; L177-I204 HydrophobicContact CD2-CG1 3.87Å; L177-M207 HydrophobicContact CD1-CG 4.45Å; L177-M209 HydrophobicContact CB-SD 3.87Å; L177-M209 HydrophobicContact CD2-CE 4.37Å; L177-M209 HydrophobicContact CD2-SD 4.33Å
178K88.7Confident84.1Confident146 Ų14670.1 Ų70.164%0.63537%0.371SS*.Hα-helixtrans-64.3-40174.6-171176.8-178.5177.40112R174 P175 L176 K182 M207R174-K178 WeakPolarHBondContact O-CB 3.22Å; R174-K178 PolarHBondContact O-N 3.09Å; P175-K178 PolarHBondContact O-N 2.94Å; L176-K178 PolarHBondContact O-N 3.33Å; K178-K182 WeakPolarHBondContact O-CB 3.49Å; K178-K182 PolarHBondContact O-N 3.13Å; K178-M207 HydrophobicContact CB-CE 3.84Å; K178-M207 HydrophobicContact CG-CE 4.39Å
179E89.4Confident85.4Confident93 Ų9365.4 Ų65.444%0.43534%0.339SS..Hα-helixtrans-66.3-43.3174.1-162-164.8154.900111.4R164 P175 L176 K181 K182 G183R164-E179 IonicContact CZ-OE1 3.85Å; R164-E179 IonicContact CZ-OE2 3.4Å; R164-E179 IonicContact NH1-OE1 3.75Å; R164-E179 PolarHBondContact NH1-OE1 2.97Å; R164-E179 IonicContact NH1-OE2 3.3Å; R164-E179 PolarHBondContact NH1-OE2 3.19Å; R164-E179 VanDerWaalsContact NH1-OE2 3.14Å; R164-E179 IonicContact NH2-OE1 3.6Å; R164-E179 PolarHBondContact NH2-OE1 3.19Å; P175-E179 PolarHBondContact O-N 3.15Å; P175-E179 VanDerWaalsContact O-N 3.13Å; L176-E179 WeakPolarHBondContact O-CA 3.42Å; L176-E179 WeakPolarHBondContact O-CB 3.39Å; L176-E179 PolarHBondContact O-N 3.32Å; E179-K181 PolarHBondContact O-N 2.78Å; E179-K182 CarbonylContact O-C 3.57Å; E179-K182 WeakPolarHBondContact O-CB 3.27Å; E179-K182 PolarHBondContact O-N 3.18Å; E179-G183 PolarHBondContact O-N 3.45Å
180M90.3Very high86.7Confident1 Ų161.4 Ų61.41%0.00530%0.297CS..Hα-helixtrans-61.7-43.5177-65.4172.861.900111.6T135 V137 L176 L177 K182 G183 K184 E185 V188 M209T135-M180 HydrophobicContact CG2-CE 4.42Å; V137-M180 HydrophobicContact CG2-CE 3.88Å; V137-M180 HydrophobicContact CG2-SD 4.11Å; L176-M180 HydrophobicContact CD1-CG 4.44Å; L176-M180 HydrophobicContact CD2-SD 4.4Å; L176-M180 HydrophobicContact CG-CG 4.36Å; L176-M180 HydrophobicContact CG-SD 3.96Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.45Å; L176-M180 PolarHBondContact O-N 2.86Å; L177-M180 HydrophobicContact CD2-SD 4.04Å; L177-M180 PolarHBondContact O-N 2.85Å; M180-K182 PolarHBondContact O-N 2.86Å; M180-G183 CarbonylContact O-C 3.44Å; M180-G183 WeakPolarHBondContact O-CA 3.48Å; M180-G183 PolarHBondContact O-N 2.96Å; M180-G183 VanDerWaalsContact O-N 3.12Å; M180-K184 PolarHBondContact O-N 3.39Å; M180-E185 HydrophobicContact CB-CB 4.36Å; M180-E185 WeakPolarHBondContact CG-OE2 3.32Å; M180-E185 PolarHBondContact O-N 3.36Å; M180-E185 VanDerWaalsContact O-N 3.17Å; M180-V188 HydrophobicContact CE-CB 4.33Å; M180-V188 HydrophobicContact CE-CG1 3.7Å; M180-V188 HydrophobicContact CE-CG2 3.65Å; M180-M209 HydrophobicContact CB-CE 4.31Å
181K86.5Confident87.8Confident94 Ų9458.5 Ų58.541%0.40928%0.276SS..Hα-helixtrans-60.3-44.2174.3-170.5172.2-171.9169.60111.3L177 E179 G183 K184 M207 M209L177-K181 WeakPolarHBondContact O-CB 3.25Å; L177-K181 PolarHBondContact O-N 2.92Å; E179-K181 PolarHBondContact O-N 2.78Å; K181-G183 VanDerWaalsContact C-N 3.3Å; K181-G183 PolarHBondContact O-N 3.17Å; K181-K184 PolarHBondContact O-N 2.96Å; K181-M207 PolarHBondContact NZ-O 3.33Å; K181-M209 HydrophobicContact CB-CE 4.39Å; K181-M209 HydrophobicContact CB-CG 4.45Å; K181-M209 HydrophobicContact CB-SD 4Å; K181-M209 HydrophobicContact CD-CG 4.07Å; K181-M209 HydrophobicContact CG-CG 4.43Å
182K85.2Confident88.5Confident184 Ų18450.7 Ų50.780%0.824%0.243SC*.Hα-helixtrans-64.8-35.8174.4-174.4178.4178.9-176.90112.1K178 E179 M180 K184K178-K182 WeakPolarHBondContact O-CB 3.49Å; K178-K182 PolarHBondContact O-N 3.13Å; E179-K182 CarbonylContact O-C 3.57Å; E179-K182 WeakPolarHBondContact O-CB 3.27Å; E179-K182 PolarHBondContact O-N 3.18Å; M180-K182 PolarHBondContact O-N 2.86Å; K182-K184 PolarHBondContact O-N 3.3Å
183G83.6Confident88.3Confident34 Ų3450.6 Ų50.635%0.35125%0.245SC..THydrogen-bonded Turntrans-75.7-5176.800000114.7E179 M180 K181 E185E179-G183 PolarHBondContact O-N 3.45Å; M180-G183 CarbonylContact O-C 3.44Å; M180-G183 WeakPolarHBondContact O-CA 3.48Å; M180-G183 PolarHBondContact O-N 2.96Å; M180-G183 VanDerWaalsContact O-N 3.12Å; K181-G183 VanDerWaalsContact C-N 3.3Å; K181-G183 PolarHBondContact O-N 3.17Å; G183-E185 VanDerWaalsContact C-N 3.34Å; G183-E185 PolarHBondContact O-N 2.74Å
184K81.9Confident88Confident77 Ų7752.3 Ų52.334%0.33525%0.251SS..THydrogen-bonded Turntrans53.649.4-178.2-56.2-171.1178.9-1620112.2M180 K181 K182 F186 I461 D462M180-K184 PolarHBondContact O-N 3.39Å; K181-K184 PolarHBondContact O-N 2.96Å; K182-K184 PolarHBondContact O-N 3.3Å; K184-F186 HydrophobicContact CB-CE2 3.97Å; K184-F186 HydrophobicContact CB-CZ 4.18Å; K184-F186 WeakPolarHBondContact O-CD2 3.31Å; K184-F186 PolarHBondContact O-N 3.48Å; K184-I461 PolarHBondContact NZ-O 2.96Å; K184-D462 IonicContact NZ-OD1 3.92Å; K184-D462 PolarHBondContact NZ-OD1 3.43Å
185E88.8Confident87.6Confident8 Ų851.4 Ų51.44%0.03725%0.252CS..  trans-91.391.7-176.5-66.4174.2-172.800110T135 K162 R164 M180 G183 Y214T135-E185 VanDerWaalsContact CG2-OE2 3.29Å; T135-E185 WeakPolarHBondContact CG2-OE2 3.22Å; T135-E185 PolarHBondContact OG1-OE2 3.48Å; K162-E185 HydrophobicContact CD-CG 4.31Å; K162-E185 WeakPolarHBondContact CD-OE1 3.2Å; K162-E185 IonicContact NZ-OE1 3.49Å; K162-E185 PolarHBondContact NZ-OE1 3.49Å; R164-E185 IonicContact NH2-OE1 2.87Å; M180-E185 HydrophobicContact CB-CB 4.36Å; M180-E185 WeakPolarHBondContact CG-OE2 3.32Å; M180-E185 PolarHBondContact O-N 3.36Å; M180-E185 VanDerWaalsContact O-N 3.17Å; G183-E185 VanDerWaalsContact C-N 3.34Å; G183-E185 PolarHBondContact O-N 2.74Å; E185-Y214 WeakPolarHBondContact O-CE1 3.22Å
186F88.2Confident87.3Confident47 Ų4748.7 Ų48.721%0.20623%0.234CC..  trans-86-33.2-175.2-61.8-65.4000114.5K184 Y213 Y214 H215 H463K184-F186 HydrophobicContact CB-CE2 3.97Å; K184-F186 HydrophobicContact CB-CZ 4.18Å; K184-F186 WeakPolarHBondContact O-CD2 3.31Å; K184-F186 PolarHBondContact O-N 3.48Å; F186-Y213 WeakPolarHBondContact CB-O 3.49Å; F186-Y214 HydrophobicContact CD1-CD1 4.21Å; F186-Y214 HydrophobicContact CD1-CE1 4.01Å; F186-Y214 HydrophobicContact CD1-CE2 4.39Å; F186-Y214 HydrophobicContact CD1-CG 4.49Å; F186-Y214 WeakPolarHBondContact O-CA 3.45Å; F186-H215 PolarHBondContact O-N 3.35Å; F186-H463 AromaticContact CZ-CD2 3.85Å; F186-H463 AromaticContact CZ-NE2 3.43Å; F186-H463 WeakPolarHBondContact CZ-NE2 3.48Å
187F92.6Very high87.2Confident73 Ų7347.6 Ų47.632%0.3223%0.229SC..EExtended strand (participates in β ladder)trans-101.6105.6-179.6-54.8-77.2000109.3W131 T135 H215W131-F187 AromaticContact CD1-CD1 3.68Å; W131-F187 AromaticContact CD1-CE1 3.8Å; W131-F187 HydrophobicContact CD2-CB 4.05Å; W131-F187 AromaticContact CD2-CD1 3.84Å; W131-F187 HydrophobicContact CD2-CD1 3.84Å; W131-F187 HydrophobicContact CD2-CG 4.13Å; W131-F187 AromaticContact CE2-CD1 3.47Å; W131-F187 VanDerWaalsContact CE2-CD1 3.47Å; W131-F187 HydrophobicContact CE3-CB 4.08Å; W131-F187 HydrophobicContact CG-CB 4.49Å; W131-F187 AromaticContact CG-CD1 3.98Å; W131-F187 HydrophobicContact CG-CD1 3.98Å; W131-F187 HydrophobicContact CG-CE1 4.49Å; W131-F187 HydrophobicContact CG-CG 4.2Å; W131-F187 AromaticContact CZ2-CD1 3.99Å; W131-F187 HydrophobicContact CZ2-CD1 3.99Å; W131-F187 HydrophobicContact CZ3-CB 4.4Å; W131-F187 AromaticContact NE1-CD1 3.33Å; W131-F187 VanDerWaalsContact NE1-CD1 3.33Å; W131-F187 AromaticContact NE1-CE1 3.54Å; T135-F187 PolarHBondContact N-O 3.44Å; F187-H215 HydrophobicContact CD1-CB 3.85Å; F187-H215 HydrophobicContact CE1-CB 4.2Å
188V94.3Very high86.9Confident0 Ų047.9 Ų47.90%023%0.232CC..EExtended strand (participates in β ladder)trans-126.6130.2-173.8-171.50000110.7T135 V137 M180 F190 H215 Y216 F217T135-V188 CarbonylContact O-C 3.38Å; T135-V188 WeakPolarHBondContact O-CA 3.4Å; V137-V188 HydrophobicContact CB-CG1 4.35Å; V137-V188 HydrophobicContact CG2-CG1 3.58Å; M180-V188 HydrophobicContact CE-CB 4.33Å; M180-V188 HydrophobicContact CE-CG1 3.7Å; M180-V188 HydrophobicContact CE-CG2 3.65Å; V188-F190 HydrophobicContact CB-CE2 4.25Å; V188-F190 HydrophobicContact CB-CZ 4.42Å; V188-F190 HydrophobicContact CG1-CD1 4.48Å; V188-F190 HydrophobicContact CG1-CD2 4.32Å; V188-F190 HydrophobicContact CG1-CE1 4.05Å; V188-F190 HydrophobicContact CG1-CE2 3.89Å; V188-F190 HydrophobicContact CG1-CZ 3.72Å; V188-H215 PolarHBondContact N-O 3.31Å; V188-H215 VanDerWaalsContact N-O 3.07Å; V188-Y216 HydrophobicContact CB-CD1 3.87Å; V188-Y216 HydrophobicContact CB-CE1 4.03Å; V188-Y216 HydrophobicContact CG2-CD1 4.32Å; V188-Y216 HydrophobicContact CG2-CE1 4.01Å; V188-Y216 WeakPolarHBondContact O-CA 3.27Å; V188-F217 PolarHBondContact O-N 2.95Å
189I94.1Very high86.8Confident1 Ų143 Ų431%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-101.9120.3173-62.8172.6000107.9V122 V126 W131 V134 T135 V137 L150 F217 T219V122-I189 HydrophobicContact CG1-CD1 3.85Å; V126-I189 HydrophobicContact CG2-CD1 3.95Å; W131-I189 HydrophobicContact CZ3-CD1 4.33Å; W131-I189 HydrophobicContact CZ3-CG1 4.05Å; V134-I189 HydrophobicContact CG1-CD1 3.46Å; V134-I189 VanDerWaalsContact CG1-CD1 3.46Å; V134-I189 HydrophobicContact CG1-CG1 3.83Å; T135-I189 PolarHBondContact O-N 2.93Å; V137-I189 PolarHBondContact N-O 3.42Å; L150-I189 HydrophobicContact CD2-CD1 3.65Å; I189-F217 CarbonylContact C-O 3.59Å; I189-F217 WeakPolarHBondContact CA-O 3.48Å; I189-F217 HydrophobicContact CG1-CB 4.14Å; I189-F217 HydrophobicContact CG2-CD1 4.22Å; I189-T219 HydrophobicContact CG2-CG2 3.68Å
190F92.1Very high86.8Confident2 Ų238.9 Ų38.91%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-99.7115.7175.1-70.8-71.6000110.6V137 V188 V200 I204 Y216 F217 F218 T219V137-F190 HydrophobicContact CB-CD1 3.75Å; V137-F190 HydrophobicContact CB-CE1 3.88Å; V137-F190 HydrophobicContact CG1-CD1 3.87Å; V137-F190 HydrophobicContact CG1-CE1 3.89Å; V137-F190 HydrophobicContact CG2-CD1 4.4Å; V137-F190 HydrophobicContact CG2-CE1 4.07Å; V188-F190 HydrophobicContact CB-CE2 4.25Å; V188-F190 HydrophobicContact CB-CZ 4.42Å; V188-F190 HydrophobicContact CG1-CD1 4.48Å; V188-F190 HydrophobicContact CG1-CD2 4.32Å; V188-F190 HydrophobicContact CG1-CE1 4.05Å; V188-F190 HydrophobicContact CG1-CE2 3.89Å; V188-F190 HydrophobicContact CG1-CZ 3.72Å; F190-V200 HydrophobicContact CD1-CG1 4.32Å; F190-V200 HydrophobicContact CE1-CG1 3.83Å; F190-V200 HydrophobicContact CZ-CG1 4.12Å; F190-I204 HydrophobicContact CE2-CD1 3.87Å; F190-I204 HydrophobicContact CZ-CD1 3.61Å; F190-Y216 HydrophobicContact CD2-CD1 4.3Å; F190-Y216 AromaticContact CE2-CD1 3.49Å; F190-Y216 HydrophobicContact CE2-CD1 3.49Å; F190-Y216 VanDerWaalsContact CE2-CD1 3.49Å; F190-Y216 AromaticContact CE2-CE1 3.92Å; F190-Y216 HydrophobicContact CE2-CE1 3.92Å; F190-Y216 AromaticContact CE2-CG 3.99Å; F190-Y216 HydrophobicContact CE2-CG 3.99Å; F190-Y216 HydrophobicContact CZ-CD1 4.35Å; F190-Y216 HydrophobicContact CZ-CE1 4.37Å; F190-F217 PolarHBondContact N-O 3.27Å; F190-F218 HydrophobicContact CB-CD1 3.79Å; F190-F218 HydrophobicContact CB-CE1 3.83Å; F190-F218 HydrophobicContact CD2-CD1 4.41Å; F190-F218 AromaticContact CD2-CE1 3.79Å; F190-F218 HydrophobicContact CD2-CE1 3.79Å; F190-F218 HydrophobicContact CD2-CE2 4.34Å; F190-F218 AromaticContact CD2-CZ 3.73Å; F190-F218 HydrophobicContact CD2-CZ 3.73Å; F190-F218 HydrophobicContact CE2-CZ 4.32Å; F190-F218 HydrophobicContact CG-CD1 4.45Å; F190-F218 HydrophobicContact CG-CE1 4Å; F190-F218 HydrophobicContact CG-CZ 4.41Å; F190-T219 PolarHBondContact O-N 3.41Å; F190-T219 PolarHBondContact O-OG1 3.44Å
191D90.7Very high86.8Confident6 Ų638.9 Ų38.93%0.03219%0.193CC..EExtended strand (participates in β ladder)trans-10982.8171.1-17258.6000110.4V137 Y138 E139 G143 R146 L147 T219V137-D191 PolarHBondContact O-N 2.84Å; Y138-D191 WeakPolarHBondContact CA-O 3Å; E139-D191 PolarHBondContact N-O 3.32Å; E139-D191 VanDerWaalsContact N-O 3.1Å; G143-D191 WeakPolarHBondContact CA-OD2 3.38Å; R146-D191 IonicContact CZ-OD1 3.17Å; R146-D191 IonicContact CZ-OD2 2.75Å; R146-D191 IonicContact NE-OD1 3.78Å; R146-D191 IonicContact NE-OD2 2.84Å; R146-D191 PolarHBondContact NE-OD2 3.04Å; R146-D191 IonicContact NH2-OD1 3.61Å; R146-D191 PolarHBondContact NH2-OD1 2.58Å; R146-D191 IonicContact NH2-OD2 2.87Å; R146-D191 PolarHBondContact NH2-OD2 2.92Å; L147-D191 HydrophobicContact CD1-CB 3.76Å; D191-T219 VanDerWaalsContact CA-OG1 3.31Å; D191-T219 WeakPolarHBondContact CA-OG1 3.45Å; D191-T219 HydrophobicContact CB-CG2 4.26Å; D191-T219 PolarHBondContact OD1-OG1 3.1Å
192C86.6Confident86.9Confident6 Ų638 Ų384%0.04119%0.19CC..  trans-143.3163.1-178.855.30000111.1E139 L166 T196 S197E139-C192 HydrophobicContact CB-CB 3.94Å; E139-C192 WeakPolarHBondContact OE2-CA 3.4Å; L166-C192 HydrophobicContact CD1-CB 4.2Å; C192-T196 HydrophobicContact CB-CG2 4.04Å; C192-S197 PolarHBondContact SG-OG 3.4Å
193S80.3Confident87.1Confident43 Ų4330.6 Ų30.630%0.30116%0.158SC..  trans-61.1159.4171.9710000111E139 Q195 T196 S197E139-S193 PolarHBondContact OE2-N 2.87Å; E139-S193 PolarHBondContact OE2-OG 3.1Å; S193-Q195 PolarHBondContact O-N 3.38Å; S193-T196 PolarHBondContact O-N 3.1Å; S193-T196 PolarHBondContact OG-N 3.46Å; S193-T196 PolarHBondContact OG-OG1 3.22Å; S193-T196 VanDerWaalsContact OG-OG1 3.12Å; S193-S197 WeakPolarHBondContact O-CB 3.36Å; S193-S197 PolarHBondContact O-N 3.43Å; S193-S197 PolarHBondContact O-OG 2.98Å
194Y78.5Confident87.5Confident41 Ų4129 Ų2916%0.16114%0.141CC..Hα-helixtrans-61.1-34.3178.571.4-90.8000111.9S197 A198 L226 M273Y194-S197 WeakPolarHBondContact O-CB 3.37Å; Y194-S197 PolarHBondContact O-N 3.22Å; Y194-A198 PolarHBondContact O-N 3.47Å; Y194-A198 VanDerWaalsContact O-N 3.07Å; Y194-L226 WeakPolarHBondContact O-CD2 3.42Å; Y194-M273 HydrophobicContact CD2-CE 4.04Å; Y194-M273 HydrophobicContact CD2-SD 4.1Å; Y194-M273 HydrophobicContact CE2-CE 3.6Å; Y194-M273 HydrophobicContact CE2-SD 3.51Å; Y194-M273 VanDerWaalsContact CE2-SD 3.51Å
195Q78Confident87.8Confident108 Ų10829 Ų2951%0.50514%0.144SC..Hα-helixtrans-64.9-49.5178-60.8180-4.800111.3S193 S197 A198 D199S193-Q195 PolarHBondContact O-N 3.38Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.9Å; Q195-A198 WeakPolarHBondContact O-CB 3.35Å; Q195-A198 PolarHBondContact O-N 3.01Å; Q195-D199 PolarHBondContact O-N 3.42Å
196T84.4Confident87.7Confident32 Ų3232.7 Ų32.720%0.19617%0.171CC..Hα-helixtrans-66.2-35.6177.8-56.90000111.2E139 L166 C192 S193 A198 D199 V200E139-T196 PolarHBondContact OE1-OG1 3.48Å; L166-T196 HydrophobicContact CD1-CG2 3.88Å; C192-T196 HydrophobicContact CB-CG2 4.04Å; S193-T196 PolarHBondContact O-N 3.1Å; S193-T196 PolarHBondContact OG-N 3.46Å; S193-T196 PolarHBondContact OG-OG1 3.22Å; S193-T196 VanDerWaalsContact OG-OG1 3.12Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 2.89Å; T196-D199 PolarHBondContact O-N 3.07Å; T196-V200 HydrophobicContact CG2-CG2 4.28Å; T196-V200 WeakPolarHBondContact O-CB 3.26Å; T196-V200 VanDerWaalsContact O-CG2 3.25Å; T196-V200 WeakPolarHBondContact O-CG2 3.37Å; T196-V200 PolarHBondContact O-N 3.38Å
197S86.8Confident87.6Confident0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-58.8-42.6173.4-60.20000111.8C192 S193 Y194 Q195 V200 L201C192-S197 PolarHBondContact SG-OG 3.4Å; S193-S197 WeakPolarHBondContact O-CB 3.36Å; S193-S197 PolarHBondContact O-N 3.43Å; S193-S197 PolarHBondContact O-OG 2.98Å; Y194-S197 WeakPolarHBondContact O-CB 3.37Å; Y194-S197 PolarHBondContact O-N 3.22Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.9Å; S197-V200 PolarHBondContact O-N 2.89Å; S197-L201 WeakPolarHBondContact O-CB 3.32Å; S197-L201 VanDerWaalsContact O-CG 3.29Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.23Å
198A85Confident87.2Confident10 Ų1031.1 Ų31.18%0.08318%0.178CC..Hα-helixtrans-64.1-42.9178.400000112.3Y194 Q195 T196 K202 L226Y194-A198 PolarHBondContact O-N 3.47Å; Y194-A198 VanDerWaalsContact O-N 3.07Å; Q195-A198 WeakPolarHBondContact O-CB 3.35Å; Q195-A198 PolarHBondContact O-N 3.01Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 2.89Å; A198-K202 WeakPolarHBondContact O-CG 3.45Å; A198-K202 PolarHBondContact O-N 3.35Å; A198-L226 HydrophobicContact CB-CD2 3.89Å
199D86.6Confident86.8Confident44 Ų4431.1 Ų31.124%0.23518%0.178CC..Hα-helixtrans-67.1-41177.6-75.4-18.6000111.5K171 Q195 T196 Q203K171-D199 IonicContact NZ-OD2 3.3Å; Q195-D199 PolarHBondContact O-N 3.42Å; T196-D199 PolarHBondContact O-N 3.07Å; D199-Q203 WeakPolarHBondContact O-CG 3.37Å; D199-Q203 PolarHBondContact O-N 3.15Å
200V89.4Confident86.4Confident5 Ų531.9 Ų31.93%0.0318%0.182CC..Hα-helixtrans-65.1-44.4176.6168.60000111.1L166 F190 T196 S197 K202 Q203 I204L166-V200 HydrophobicContact CD1-CG2 4.3Å; L166-V200 HydrophobicContact CD2-CG2 4.18Å; F190-V200 HydrophobicContact CD1-CG1 4.32Å; F190-V200 HydrophobicContact CE1-CG1 3.83Å; F190-V200 HydrophobicContact CZ-CG1 4.12Å; T196-V200 HydrophobicContact CG2-CG2 4.28Å; T196-V200 WeakPolarHBondContact O-CB 3.26Å; T196-V200 VanDerWaalsContact O-CG2 3.25Å; T196-V200 WeakPolarHBondContact O-CG2 3.37Å; T196-V200 PolarHBondContact O-N 3.38Å; S197-V200 PolarHBondContact O-N 2.89Å; V200-K202 PolarHBondContact O-N 3.49Å; V200-Q203 WeakPolarHBondContact O-CB 3.47Å; V200-Q203 PolarHBondContact O-N 3.39Å; V200-I204 HydrophobicContact CG1-CD1 3.58Å; V200-I204 HydrophobicContact CG1-CG1 4.07Å; V200-I204 VanDerWaalsContact O-CG1 3.28Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 3.18Å
201L89.3Confident85.8Confident1 Ų133.8 Ų33.81%0.00519%0.193CC..Hα-helixtrans-58.9-43.3178.4-79.5171.4000112.7S197 Q203 I204 L205 M210 F218 L226 L228 Y231 M238S197-L201 WeakPolarHBondContact O-CB 3.32Å; S197-L201 VanDerWaalsContact O-CG 3.29Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.23Å; L201-Q203 VanDerWaalsContact C-N 3.27Å; L201-Q203 PolarHBondContact O-N 2.97Å; L201-I204 PolarHBondContact O-N 3.4Å; L201-L205 PolarHBondContact O-N 3.42Å; L201-M210 HydrophobicContact CD2-CE 4.33Å; L201-F218 HydrophobicContact CD1-CZ 4.28Å; L201-F218 HydrophobicContact CD2-CE2 4.28Å; L201-F218 HydrophobicContact CD2-CZ 3.67Å; L201-F218 HydrophobicContact CG-CE1 4.45Å; L201-F218 HydrophobicContact CG-CZ 4Å; L201-L226 HydrophobicContact CD1-CD1 4.13Å; L201-L228 HydrophobicContact CD1-CD2 3.89Å; L201-Y231 HydrophobicContact CB-CE1 4.38Å; L201-Y231 HydrophobicContact CB-CE2 4.06Å; L201-Y231 HydrophobicContact CD1-CE2 4.2Å; L201-M238 HydrophobicContact CD1-CE 4.16Å; L201-M238 HydrophobicContact CD2-CE 3.56Å
202K88.6Confident84.9Confident77 Ų7736.1 Ų36.134%0.33520%0.204SC..Hα-helixtrans-59.1-40174.3-72169.8-176.4161.80111.8A198 V200 S206 Y231 T271A198-K202 WeakPolarHBondContact O-CG 3.45Å; A198-K202 PolarHBondContact O-N 3.35Å; V200-K202 PolarHBondContact O-N 3.49Å; K202-S206 PolarHBondContact O-N 2.87Å; K202-Y231 PolarHBondContact N-OH 3.37Å; K202-T271 VanDerWaalsContact NZ-CB 3.31Å; K202-T271 PolarHBondContact NZ-O 3.48Å; K202-T271 PolarHBondContact NZ-OG1 3.06Å; K202-T271 VanDerWaalsContact NZ-OG1 3.16Å
203Q90.1Very high84.7Confident27 Ų2737.6 Ų37.613%0.12621%0.209CC..Hα-helixtrans-72.3-41.1179.5-68.1174.635.300112.3K171 A173 R174 L177 D199 V200 L201 L205 S206 M207K171-Q203 PolarHBondContact O-NE2 3.28Å; A173-Q203 VanDerWaalsContact CA-OE1 3.3Å; R174-Q203 HydrophobicContact CG-CB 4.3Å; R174-Q203 HydrophobicContact CG-CG 4.29Å; L177-Q203 HydrophobicContact CD1-CB 3.82Å; D199-Q203 WeakPolarHBondContact O-CG 3.37Å; D199-Q203 PolarHBondContact O-N 3.15Å; V200-Q203 WeakPolarHBondContact O-CB 3.47Å; V200-Q203 PolarHBondContact O-N 3.39Å; L201-Q203 VanDerWaalsContact C-N 3.27Å; L201-Q203 PolarHBondContact O-N 2.97Å; Q203-L205 VanDerWaalsContact C-N 3.29Å; Q203-L205 PolarHBondContact O-N 3.41Å; Q203-S206 WeakPolarHBondContact CA-OG 3.4Å; Q203-S206 PolarHBondContact O-N 2.86Å; Q203-S206 PolarHBondContact O-OG 2.81Å; Q203-M207 WeakPolarHBondContact O-CB 3.37Å; Q203-M207 VanDerWaalsContact O-CG 3.26Å; Q203-M207 WeakPolarHBondContact O-CG 3.2Å; Q203-M207 PolarHBondContact O-N 3.09Å
204I90.9Very high85Confident0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-58.3-43.8174.8-67.6171.2000110.2L177 F190 V200 L201 M207 G208 M209 M210 Y216L177-I204 HydrophobicContact CD1-CG1 3.89Å; L177-I204 HydrophobicContact CD2-CG1 3.87Å; F190-I204 HydrophobicContact CE2-CD1 3.87Å; F190-I204 HydrophobicContact CZ-CD1 3.61Å; V200-I204 HydrophobicContact CG1-CD1 3.58Å; V200-I204 HydrophobicContact CG1-CG1 4.07Å; V200-I204 VanDerWaalsContact O-CG1 3.28Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 3.18Å; L201-I204 PolarHBondContact O-N 3.4Å; I204-M207 PolarHBondContact O-N 3.28Å; I204-G208 PolarHBondContact O-N 3.07Å; I204-M209 HydrophobicContact CG2-CB 3.63Å; I204-M209 WeakPolarHBondContact CG2-O 3.43Å; I204-M209 PolarHBondContact O-N 2.84Å; I204-M210 HydrophobicContact CB-SD 4.33Å; I204-M210 HydrophobicContact CG2-CG 3.83Å; I204-M210 HydrophobicContact CG2-SD 3.4Å; I204-M210 WeakPolarHBondContact CG2-SD 3.47Å; I204-Y216 HydrophobicContact CD1-CE2 4.46Å; I204-Y216 HydrophobicContact CG2-CE2 3.77Å; I204-Y216 WeakPolarHBondContact CG2-OH 3.39Å
205L88.4Confident85.6Confident77 Ų7734.9 Ų34.940%0.40319%0.192SC..Hα-helixtrans-60.1-49.2174.3-176.867.2000111.5L201 Q203 M207 G208 M210 Y231L201-L205 PolarHBondContact O-N 3.42Å; Q203-L205 VanDerWaalsContact C-N 3.29Å; Q203-L205 PolarHBondContact O-N 3.41Å; L205-M207 PolarHBondContact O-N 3.4Å; L205-G208 PolarHBondContact O-N 3.27Å; L205-M210 HydrophobicContact CB-CG 4.16Å; L205-M210 HydrophobicContact CD1-CB 4.25Å; L205-M210 HydrophobicContact CD1-CG 3.99Å; L205-Y231 HydrophobicContact CB-CD1 4.45Å; L205-Y231 HydrophobicContact CB-CE1 3.94Å; L205-Y231 HydrophobicContact CD1-CD1 4.43Å; L205-Y231 HydrophobicContact CD2-CD1 4.28Å; L205-Y231 HydrophobicContact CD2-CE1 3.82Å; L205-Y231 HydrophobicContact CG-CE1 4.34Å
206S86.8Confident86.4Confident86 Ų8629.8 Ų29.860%0.60117%0.169SC*.Hα-helixtrans-61.8-27.3178.975.80000114K202 Q203 G208K202-S206 PolarHBondContact O-N 2.87Å; Q203-S206 WeakPolarHBondContact CA-OG 3.4Å; Q203-S206 PolarHBondContact O-N 2.86Å; Q203-S206 PolarHBondContact O-OG 2.81Å; S206-G208 VanDerWaalsContact C-N 3.31Å
207M85.6Confident86.8Confident45 Ų4528.3 Ų28.322%0.22216%0.159CC..THydrogen-bonded Turntrans-87.1-0.6179.6-70.1-68.5-69.300113.1R174 L177 K178 K181 Q203 I204 L205 M209R174-M207 HydrophobicContact CB-SD 4.33Å; R174-M207 HydrophobicContact CG-CG 4.36Å; R174-M207 HydrophobicContact CG-SD 4.35Å; L177-M207 HydrophobicContact CD1-CG 4.45Å; K178-M207 HydrophobicContact CB-CE 3.84Å; K178-M207 HydrophobicContact CG-CE 4.39Å; K181-M207 PolarHBondContact NZ-O 3.33Å; Q203-M207 WeakPolarHBondContact O-CB 3.37Å; Q203-M207 VanDerWaalsContact O-CG 3.26Å; Q203-M207 WeakPolarHBondContact O-CG 3.2Å; Q203-M207 PolarHBondContact O-N 3.09Å; I204-M207 PolarHBondContact O-N 3.28Å; L205-M207 PolarHBondContact O-N 3.4Å; M207-M209 VanDerWaalsContact C-N 3.28Å; M207-M209 HydrophobicContact CB-CG 4.16Å; M207-M209 HydrophobicContact CB-SD 4.26Å; M207-M209 PolarHBondContact O-N 2.98Å
208G83.8Confident87Confident43 Ų4328.3 Ų28.344%0.44316%0.159SC..THydrogen-bonded Turntrans60.139.7-175.100000111.8I204 L205 S206I204-G208 PolarHBondContact O-N 3.07Å; L205-G208 PolarHBondContact O-N 3.27Å; S206-G208 VanDerWaalsContact C-N 3.31Å
209M87.1Confident87.2Confident0 Ų028.3 Ų28.30%016%0.158CC..  trans-103.222.4174.7-68.917965.900111.3L177 M180 K181 I204 M207 Y214 Y216L177-M209 HydrophobicContact CB-SD 3.87Å; L177-M209 HydrophobicContact CD2-CE 4.37Å; L177-M209 HydrophobicContact CD2-SD 4.33Å; M180-M209 HydrophobicContact CB-CE 4.31Å; K181-M209 HydrophobicContact CB-CE 4.39Å; K181-M209 HydrophobicContact CB-CG 4.45Å; K181-M209 HydrophobicContact CB-SD 4Å; K181-M209 HydrophobicContact CD-CG 4.07Å; K181-M209 HydrophobicContact CG-CG 4.43Å; I204-M209 HydrophobicContact CG2-CB 3.63Å; I204-M209 WeakPolarHBondContact CG2-O 3.43Å; I204-M209 PolarHBondContact O-N 2.84Å; M207-M209 VanDerWaalsContact C-N 3.28Å; M207-M209 HydrophobicContact CB-CG 4.16Å; M207-M209 HydrophobicContact CB-SD 4.26Å; M207-M209 PolarHBondContact O-N 2.98Å; M209-Y214 HydrophobicContact CB-CE2 4.28Å; M209-Y214 HydrophobicContact CE-CE1 3.88Å; M209-Y214 WeakPolarHBondContact O-CD2 3.08Å; M209-Y216 WeakPolarHBondContact O-CE2 3.26Å; M209-Y216 PolarHBondContact O-OH 3.36Å
210M85.1Confident87.1Confident17 Ų1727 Ų278%0.08415%0.152CC..  trans-109.675.9174.2-63.4-62.2-95.600108.7L201 I204 L205 Y216 Y231 V236 M238L201-M210 HydrophobicContact CD2-CE 4.33Å; I204-M210 HydrophobicContact CB-SD 4.33Å; I204-M210 HydrophobicContact CG2-CG 3.83Å; I204-M210 HydrophobicContact CG2-SD 3.4Å; I204-M210 WeakPolarHBondContact CG2-SD 3.47Å; L205-M210 HydrophobicContact CB-CG 4.16Å; L205-M210 HydrophobicContact CD1-CB 4.25Å; L205-M210 HydrophobicContact CD1-CG 3.99Å; M210-Y216 HydrophobicContact SD-CD2 4.28Å; M210-Y216 HydrophobicContact SD-CE2 3.76Å; M210-Y231 HydrophobicContact CE-CD1 3.34Å; M210-Y231 HydrophobicContact CE-CE1 4.21Å; M210-Y231 HydrophobicContact CE-CG 3.57Å; M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CE-CG2 4.43Å; M210-V236 HydrophobicContact SD-CG2 3.99Å; M210-M238 HydrophobicContact CE-SD 3.95Å
211T80Confident86.8Confident42 Ų4227.1 Ų27.126%0.25815%0.152SC..SBendtrans-128.1164.4176.871.10000110.2Y213 Y214 V236T211-Y213 PolarHBondContact O-N 2.94Å; T211-Y213 VanDerWaalsContact O-N 3.14Å; T211-Y214 PolarHBondContact O-N 3.46Å; T211-Y214 WeakPolarHBondContact OG1-CD2 3.15Å; T211-Y214 WeakPolarHBondContact OG1-CE2 3.36Å; T211-V236 VanDerWaalsContact N-CG2 3.3Å; T211-V236 WeakPolarHBondContact O-CG2 3.28Å
212E72.6Confident86Confident55 Ų5527.5 Ų27.526%0.25715%0.154SC..THydrogen-bonded Turntrans-60.4-23.9-178.369.7-79.3-169.700114.7Y214 G235E212-Y214 VanDerWaalsContact C-N 3.25Å; E212-Y214 PolarHBondContact O-N 3.48Å; E212-G235 WeakPolarHBondContact CA-O 3.35Å
213Y80.5Confident85.5Confident36 Ų3623.8 Ų23.814%0.14114%0.139CC..THydrogen-bonded Turntrans-68.8-26174.9-55.5-71000112.2F186 T211 H463 D466F186-Y213 WeakPolarHBondContact CB-O 3.49Å; T211-Y213 PolarHBondContact O-N 2.94Å; T211-Y213 VanDerWaalsContact O-N 3.14Å; Y213-H463 AromaticContact CD1-CE1 3.67Å; Y213-H463 AromaticContact CD1-ND1 3.79Å; Y213-H463 HydrophobicContact CD2-CB 4.45Å; Y213-H463 AromaticContact CD2-ND1 3.64Å; Y213-H463 AromaticContact CE1-CE1 3.66Å; Y213-H463 AromaticContact CE1-ND1 3.5Å; Y213-H463 WeakPolarHBondContact CE1-ND1 3.48Å; Y213-H463 HydrophobicContact CE2-CB 4.16Å; Y213-H463 AromaticContact CE2-ND1 3.37Å; Y213-H463 WeakPolarHBondContact CE2-ND1 3.4Å; Y213-H463 AromaticContact CG-CE1 3.94Å; Y213-H463 AromaticContact CG-ND1 3.87Å; Y213-H463 AromaticContact CZ-CE1 3.97Å; Y213-H463 AromaticContact CZ-ND1 3.3Å; Y213-H463 VanDerWaalsContact CZ-ND1 3.3Å; Y213-D466 PolarHBondContact OH-OD1 3.22Å
214Y88.3Confident84.7Confident14 Ų1423.2 Ų23.26%0.05514%0.136CC..  trans-83.4136.9-179.3-69.6-84.1000111.6E185 F186 M209 T211 E212 Y216 N237E185-Y214 WeakPolarHBondContact O-CE1 3.22Å; F186-Y214 HydrophobicContact CD1-CD1 4.21Å; F186-Y214 HydrophobicContact CD1-CE1 4.01Å; F186-Y214 HydrophobicContact CD1-CE2 4.39Å; F186-Y214 HydrophobicContact CD1-CG 4.49Å; F186-Y214 WeakPolarHBondContact O-CA 3.45Å; M209-Y214 HydrophobicContact CB-CE2 4.28Å; M209-Y214 HydrophobicContact CE-CE1 3.88Å; M209-Y214 WeakPolarHBondContact O-CD2 3.08Å; T211-Y214 PolarHBondContact O-N 3.46Å; T211-Y214 WeakPolarHBondContact OG1-CD2 3.15Å; T211-Y214 WeakPolarHBondContact OG1-CE2 3.36Å; E212-Y214 VanDerWaalsContact C-N 3.25Å; E212-Y214 PolarHBondContact O-N 3.48Å; Y214-Y216 AromaticContact CD1-CE1 3.99Å; Y214-Y216 HydrophobicContact CD1-CE1 3.99Å; Y214-Y216 AromaticContact CD1-CZ 3.74Å; Y214-Y216 WeakPolarHBondContact CD1-OH 3.49Å; Y214-Y216 HydrophobicContact CG-CE1 4.46Å; Y214-Y216 HydrophobicContact CG-CE2 4.39Å; Y214-Y216 AromaticContact CG-CZ 3.88Å; Y214-N237 PolarHBondContact O-N 3.14Å
215H91.2Very high83.8Confident13 Ų1323.4 Ų23.46%0.0614%0.137CC..EExtended strand (participates in β ladder)trans-125112.4168.8-163.6153.3000108.6Y129 W131 F186 F187 V188 N237 T239Y129-H215 AromaticContact CE1-CE1 3.91Å; Y129-H215 AromaticContact CE2-CE1 3.79Å; Y129-H215 AromaticContact CZ-CE1 3.74Å; W131-H215 HydrophobicContact CZ2-CB 4.09Å; W131-H215 AromaticContact CZ2-CD2 3.73Å; W131-H215 AromaticContact CZ2-CE1 3.71Å; W131-H215 AromaticContact CZ2-CG 3.53Å; W131-H215 AromaticContact CZ2-ND1 3.54Å; W131-H215 AromaticContact CZ2-NE2 3.84Å; F186-H215 PolarHBondContact O-N 3.35Å; F187-H215 HydrophobicContact CD1-CB 3.85Å; F187-H215 HydrophobicContact CE1-CB 4.2Å; V188-H215 PolarHBondContact N-O 3.31Å; V188-H215 VanDerWaalsContact N-O 3.07Å; H215-N237 CarbonylContact C-O 3.53Å; H215-N237 VanDerWaalsContact CA-O 3.29Å; H215-N237 WeakPolarHBondContact CA-O 3.32Å; H215-N237 HydrophobicContact CB-CB 4.25Å; H215-N237 PolarHBondContact CD2-O 3.06Å; H215-T239 PolarHBondContact NE2-OG1 2.83Å
216Y93.1Very high83.2Confident1 Ų119.9 Ų19.90%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-103.2126.4178.6-61.5-48.1000111V188 F190 I204 M209 M210 Y214 V236 N237 M238 T239V188-Y216 HydrophobicContact CB-CD1 3.87Å; V188-Y216 HydrophobicContact CB-CE1 4.03Å; V188-Y216 HydrophobicContact CG2-CD1 4.32Å; V188-Y216 HydrophobicContact CG2-CE1 4.01Å; V188-Y216 WeakPolarHBondContact O-CA 3.27Å; F190-Y216 HydrophobicContact CD2-CD1 4.3Å; F190-Y216 AromaticContact CE2-CD1 3.49Å; F190-Y216 HydrophobicContact CE2-CD1 3.49Å; F190-Y216 VanDerWaalsContact CE2-CD1 3.49Å; F190-Y216 AromaticContact CE2-CE1 3.92Å; F190-Y216 HydrophobicContact CE2-CE1 3.92Å; F190-Y216 AromaticContact CE2-CG 3.99Å; F190-Y216 HydrophobicContact CE2-CG 3.99Å; F190-Y216 HydrophobicContact CZ-CD1 4.35Å; F190-Y216 HydrophobicContact CZ-CE1 4.37Å; I204-Y216 HydrophobicContact CD1-CE2 4.46Å; I204-Y216 HydrophobicContact CG2-CE2 3.77Å; I204-Y216 WeakPolarHBondContact CG2-OH 3.39Å; M209-Y216 WeakPolarHBondContact O-CE2 3.26Å; M209-Y216 PolarHBondContact O-OH 3.36Å; M210-Y216 HydrophobicContact SD-CD2 4.28Å; M210-Y216 HydrophobicContact SD-CE2 3.76Å; Y214-Y216 AromaticContact CD1-CE1 3.99Å; Y214-Y216 HydrophobicContact CD1-CE1 3.99Å; Y214-Y216 AromaticContact CD1-CZ 3.74Å; Y214-Y216 WeakPolarHBondContact CD1-OH 3.49Å; Y214-Y216 HydrophobicContact CG-CE1 4.46Å; Y214-Y216 HydrophobicContact CG-CE2 4.39Å; Y214-Y216 AromaticContact CG-CZ 3.88Å; Y216-V236 HydrophobicContact CD2-CG1 3.55Å; Y216-V236 HydrophobicContact CE2-CG1 3.9Å; Y216-V236 HydrophobicContact CG-CG1 4.47Å; Y216-N237 PolarHBondContact N-O 3.39Å; Y216-M238 WeakPolarHBondContact O-CA 3.14Å; Y216-T239 PolarHBondContact O-N 3.08Å; Y216-T239 PolarHBondContact O-OG1 2.85Å
217F93.2Very high82.9Confident1 Ų118.4 Ų18.40%0.00410%0.104CC..EExtended strand (participates in β ladder)trans-111.5122.2173.7-173.3-86.4000110.1V122 I125 W131 V188 I189 F190 T219 T239 F241V122-F217 HydrophobicContact CG1-CE1 4.42Å; V122-F217 HydrophobicContact CG2-CE1 3.91Å; I125-F217 HydrophobicContact CD1-CD2 4.36Å; I125-F217 HydrophobicContact CD1-CE2 3.36Å; I125-F217 HydrophobicContact CD1-CZ 3.7Å; I125-F217 HydrophobicContact CG2-CD2 3.96Å; I125-F217 HydrophobicContact CG2-CE2 3.96Å; W131-F217 HydrophobicContact CH2-CB 4.08Å; V188-F217 PolarHBondContact O-N 2.95Å; I189-F217 CarbonylContact C-O 3.59Å; I189-F217 WeakPolarHBondContact CA-O 3.48Å; I189-F217 HydrophobicContact CG1-CB 4.14Å; I189-F217 HydrophobicContact CG2-CD1 4.22Å; F190-F217 PolarHBondContact N-O 3.27Å; F217-T219 HydrophobicContact CD1-CG2 4.27Å; F217-T219 HydrophobicContact CE1-CG2 4.19Å; F217-T239 CarbonylContact C-O 3.52Å; F217-T239 WeakPolarHBondContact CA-O 3.42Å; F217-T239 VanDerWaalsContact CD2-OG1 3.23Å; F217-T239 WeakPolarHBondContact CD2-OG1 3.37Å; F217-F241 HydrophobicContact CE1-CD2 4.12Å; F217-F241 AromaticContact CE1-CE2 3.72Å; F217-F241 HydrophobicContact CE1-CE2 3.72Å; F217-F241 HydrophobicContact CE1-CZ 4.18Å; F217-F241 HydrophobicContact CE2-CZ 4.44Å; F217-F241 HydrophobicContact CZ-CD1 4.28Å; F217-F241 AromaticContact CZ-CD2 3.78Å; F217-F241 HydrophobicContact CZ-CD2 3.78Å; F217-F241 AromaticContact CZ-CE1 3.94Å; F217-F241 HydrophobicContact CZ-CE1 3.94Å; F217-F241 AromaticContact CZ-CE2 3.41Å; F217-F241 HydrophobicContact CZ-CE2 3.41Å; F217-F241 VanDerWaalsContact CZ-CE2 3.41Å; F217-F241 HydrophobicContact CZ-CG 4.2Å; F217-F241 AromaticContact CZ-CZ 3.49Å; F217-F241 HydrophobicContact CZ-CZ 3.49Å; F217-F241 VanDerWaalsContact CZ-CZ 3.49Å
218F91.6Very high82.8Confident0 Ų016.6 Ų16.60%010%0.095CC..EExtended strand (participates in β ladder)trans-101.6121.6176.8-69.2-91000110.3F190 L201 T220 L223 M238 T239 G240F190-F218 HydrophobicContact CB-CD1 3.79Å; F190-F218 HydrophobicContact CB-CE1 3.83Å; F190-F218 HydrophobicContact CD2-CD1 4.41Å; F190-F218 AromaticContact CD2-CE1 3.79Å; F190-F218 HydrophobicContact CD2-CE1 3.79Å; F190-F218 HydrophobicContact CD2-CE2 4.34Å; F190-F218 AromaticContact CD2-CZ 3.73Å; F190-F218 HydrophobicContact CD2-CZ 3.73Å; F190-F218 HydrophobicContact CE2-CZ 4.32Å; F190-F218 HydrophobicContact CG-CD1 4.45Å; F190-F218 HydrophobicContact CG-CE1 4Å; F190-F218 HydrophobicContact CG-CZ 4.41Å; L201-F218 HydrophobicContact CD1-CZ 4.28Å; L201-F218 HydrophobicContact CD2-CE2 4.28Å; L201-F218 HydrophobicContact CD2-CZ 3.67Å; L201-F218 HydrophobicContact CG-CE1 4.45Å; L201-F218 HydrophobicContact CG-CZ 4Å; F218-T220 VanDerWaalsContact C-N 3.3Å; F218-T220 HydrophobicContact CB-CG2 4.25Å; F218-L223 HydrophobicContact CB-CD1 4.05Å; F218-L223 HydrophobicContact CB-CD2 4.28Å; F218-L223 HydrophobicContact CD2-CD1 4.05Å; F218-L223 HydrophobicContact CG-CD1 3.96Å; F218-M238 HydrophobicContact CD2-CE 4.45Å; F218-M238 HydrophobicContact CE2-CE 3.69Å; F218-M238 HydrophobicContact CZ-CE 4.31Å; F218-T239 PolarHBondContact N-O 3.29Å; F218-G240 VanDerWaalsContact O-CA 3.32Å; F218-G240 WeakPolarHBondContact O-CA 3.43Å
219T88.7Confident82.7Confident10 Ų1019.8 Ų19.86%0.06110%0.099CC..  trans-77.2-19.2179.364.90000112.8V122 L147 I189 F190 D191 F217 L221V122-T219 HydrophobicContact CG2-CG2 4.2Å; L147-T219 HydrophobicContact CD2-CG2 4.29Å; I189-T219 HydrophobicContact CG2-CG2 3.68Å; F190-T219 PolarHBondContact O-N 3.41Å; F190-T219 PolarHBondContact O-OG1 3.44Å; D191-T219 VanDerWaalsContact CA-OG1 3.31Å; D191-T219 WeakPolarHBondContact CA-OG1 3.45Å; D191-T219 HydrophobicContact CB-CG2 4.26Å; D191-T219 PolarHBondContact OD1-OG1 3.1Å; F217-T219 HydrophobicContact CD1-CG2 4.27Å; F217-T219 HydrophobicContact CE1-CG2 4.19Å; T219-L221 PolarHBondContact O-N 3.2Å
220T85Confident82.6Confident17 Ų1723.3 Ų23.310%0.10412%0.121CC..  trans-61.5135.8179.2-176.80000111F218 D222 L223F218-T220 VanDerWaalsContact C-N 3.3Å; F218-T220 HydrophobicContact CB-CG2 4.25Å; T220-D222 PolarHBondContact O-N 2.9Å; T220-D222 PolarHBondContact OG1-N 3Å; T220-L223 HydrophobicContact CG2-CB 4.45Å
221L81.9Confident82.5Confident7 Ų723.2 Ų23.24%0.03712%0.12CC..THydrogen-bonded Turntrans-76.2-9.7178.8-58.9177.3000112.7P113 T219 F224 F241 L243 L345P113-L221 HydrophobicContact CG-CD1 4.28Å; T219-L221 PolarHBondContact O-N 3.2Å; L221-F224 VanDerWaalsContact O-CE1 3.25Å; L221-F224 WeakPolarHBondContact O-CE1 3.49Å; L221-F241 CarbonylContact C-O 3.47Å; L221-F241 HydrophobicContact CD2-CB 3.75Å; L221-L243 HydrophobicContact CB-CB 4.33Å; L221-L243 HydrophobicContact CD1-CB 4.18Å; L221-L243 HydrophobicContact CD1-CD2 3.95Å; L221-L243 HydrophobicContact CD2-CB 4.4Å; L221-L345 HydrophobicContact CD2-CD2 3.72Å
222D73.4Confident82.6Confident9 Ų924 Ų245%0.04812%0.118CC..BIsolated β-bridgetrans-106.724-173.9-59.6-51.1000112T220 F224 A225T220-D222 PolarHBondContact O-N 2.9Å; T220-D222 PolarHBondContact OG1-N 3Å; D222-F224 PolarHBondContact O-N 3.45Å; D222-A225 WeakPolarHBondContact O-CB 3.46Å; D222-A225 PolarHBondContact O-N 2.7Å
223L78Confident83Confident0 Ų029.5 Ų29.50%014%0.138CC..G310 helixtrans-57.7-35.1179.7179.563.9000112.3F218 T220 A225 L226 L228 I348F218-L223 HydrophobicContact CB-CD1 4.05Å; F218-L223 HydrophobicContact CB-CD2 4.28Å; F218-L223 HydrophobicContact CD2-CD1 4.05Å; F218-L223 HydrophobicContact CG-CD1 3.96Å; T220-L223 HydrophobicContact CG2-CB 4.45Å; L223-A225 PolarHBondContact O-N 3.01Å; L223-L226 HydrophobicContact CD1-CD1 4.17Å; L223-L226 PolarHBondContact O-N 2.82Å; L223-L228 HydrophobicContact CD1-CD1 4.33Å; L223-L228 HydrophobicContact CG-CD1 4.42Å; L223-I348 HydrophobicContact CB-CD1 4.43Å; L223-I348 HydrophobicContact CD2-CD1 4.28Å; L223-I348 HydrophobicContact CD2-CG1 4.48Å
224F73.8Confident82.8Confident15 Ų1529.2 Ų29.27%0.06614%0.141CC..G310 helixtrans-64.1-16.9177.667.5-87.8000113.8L221 D222 L226 R242 L244 M274 M277 I280 I348 L355L221-F224 VanDerWaalsContact O-CE1 3.25Å; L221-F224 WeakPolarHBondContact O-CE1 3.49Å; D222-F224 PolarHBondContact O-N 3.45Å; F224-L226 VanDerWaalsContact C-N 3.31Å; F224-R242 HydrophobicContact CD1-CG 4.06Å; F224-L244 HydrophobicContact CZ-CD2 4.49Å; F224-M274 WeakPolarHBondContact O-CE 3.5Å; F224-M277 HydrophobicContact CD2-CE 3.97Å; F224-M277 HydrophobicContact CD2-CG 4.09Å; F224-M277 HydrophobicContact CD2-SD 3.88Å; F224-M277 HydrophobicContact CE2-CE 4.5Å; F224-M277 HydrophobicContact CE2-CG 3.69Å; F224-M277 HydrophobicContact CE2-SD 3.86Å; F224-M277 WeakPolarHBondContact O-CE 3.36Å; F224-I280 HydrophobicContact CE1-CD1 3.68Å; F224-I280 HydrophobicContact CE1-CG1 4.29Å; F224-I280 HydrophobicContact CZ-CD1 3.82Å; F224-I280 HydrophobicContact CZ-CG1 3.91Å; F224-I348 HydrophobicContact CB-CD1 4.49Å; F224-L355 HydrophobicContact CB-CD1 4.38Å
225A71.3Confident82.1Confident4 Ų429.5 Ų29.53%0.03315%0.149CC..G310 helixtrans-80.5-14.3178.100000113D222 L223 M273 M274 M277D222-A225 WeakPolarHBondContact O-CB 3.46Å; D222-A225 PolarHBondContact O-N 2.7Å; L223-A225 PolarHBondContact O-N 3.01Å; A225-M273 HydrophobicContact CB-CE 4.44Å; A225-M273 WeakPolarHBondContact O-CA 3.45Å; A225-M274 PolarHBondContact O-N 2.94Å; A225-M277 HydrophobicContact CB-CG 4.16Å
226L77.2Confident81.9Confident2 Ų229.2 Ų29.21%0.0115%0.148CC..BIsolated β-bridgetrans-81.9143178.7-62.8-178.1000111.1Y194 A198 L201 L223 F224 L228Y194-L226 WeakPolarHBondContact O-CD2 3.42Å; A198-L226 HydrophobicContact CB-CD2 3.89Å; L201-L226 HydrophobicContact CD1-CD1 4.13Å; L223-L226 HydrophobicContact CD1-CD1 4.17Å; L223-L226 PolarHBondContact O-N 2.82Å; F224-L226 VanDerWaalsContact C-N 3.31Å; L226-L228 HydrophobicContact CB-CD2 4.16Å; L226-L228 HydrophobicContact CB-CG 4.4Å; L226-L228 PolarHBondContact O-N 3.01Å
227D78.5Confident81.6Confident56 Ų5632.6 Ų32.630%0.29917%0.166SC..  trans-74106.3167.1179.817.5000109.3E229 G272D227-E229 VanDerWaalsContact OD1-CB 3.3Å; D227-E229 WeakPolarHBondContact OD1-CB 3.45Å; D227-E229 PolarHBondContact OD1-N 3.3Å; D227-G272 PolarHBondContact N-O 2.81Å
228L83.9Confident81.5Confident7 Ų732.6 Ų32.64%0.03717%0.166CC..  trans-101.12.7179.2-61.1-178.3000113.3L201 L223 L226 P230 Y231 R232 M238 L350 L355L201-L228 HydrophobicContact CD1-CD2 3.89Å; L223-L228 HydrophobicContact CD1-CD1 4.33Å; L223-L228 HydrophobicContact CG-CD1 4.42Å; L226-L228 HydrophobicContact CB-CD2 4.16Å; L226-L228 HydrophobicContact CB-CG 4.4Å; L226-L228 PolarHBondContact O-N 3.01Å; L228-P230 VanDerWaalsContact C-CD 3.48Å; L228-Y231 HydrophobicContact CB-CD2 4.48Å; L228-Y231 HydrophobicContact CD2-CD2 3.91Å; L228-Y231 HydrophobicContact CD2-CE2 4.33Å; L228-Y231 PolarHBondContact O-N 3.37Å; L228-R232 PolarHBondContact O-N 3.3Å; L228-M238 HydrophobicContact CD2-CE 3.88Å; L228-L350 HydrophobicContact CB-CD1 3.9Å; L228-L350 HydrophobicContact CB-CD2 4.35Å; L228-L350 HydrophobicContact CD1-CD1 4.01Å; L228-L355 HydrophobicContact CD1-CD1 3.83Å; L228-L355 HydrophobicContact CD1-CD2 3.77Å; L228-L355 HydrophobicContact CD1-CG 3.95Å
229E82.5Confident81.4Confident110 Ų11032.6 Ų32.651%0.51417%0.166SC..G310 helixtrans-53.4-46-178.8167.2156.7-131.300113.8D227 Y231 R232D227-E229 VanDerWaalsContact OD1-CB 3.3Å; D227-E229 WeakPolarHBondContact OD1-CB 3.45Å; D227-E229 PolarHBondContact OD1-N 3.3Å; E229-Y231 PolarHBondContact O-N 3.27Å; E229-Y231 VanDerWaalsContact O-N 3.08Å; E229-R232 PolarHBondContact O-N 2.96Å; E229-R232 IonicContact OE1-NH2 3.65Å; E229-R232 PolarHBondContact OE1-NH2 3.28Å; E229-R232 IonicContact OE2-NH2 2.7Å
230P84.6Confident81.5Confident73 Ų7332.1 Ų32.147%0.47416%0.163SC..G310 helixtrans-62.7-18.5179.9-23.634.9000114.4L228L228-P230 VanDerWaalsContact C-CD 3.48Å
231Y84.3Confident81.7Confident16 Ų1631.3 Ų31.36%0.06316%0.158CC..G310 helixtrans-103.1-15.9-171.3-48.5-59.8000113.1L201 K202 L205 M210 L228 E229 Y233 S234L201-Y231 HydrophobicContact CB-CE1 4.38Å; L201-Y231 HydrophobicContact CB-CE2 4.06Å; L201-Y231 HydrophobicContact CD1-CE2 4.2Å; K202-Y231 PolarHBondContact N-OH 3.37Å; L205-Y231 HydrophobicContact CB-CD1 4.45Å; L205-Y231 HydrophobicContact CB-CE1 3.94Å; L205-Y231 HydrophobicContact CD1-CD1 4.43Å; L205-Y231 HydrophobicContact CD2-CD1 4.28Å; L205-Y231 HydrophobicContact CD2-CE1 3.82Å; L205-Y231 HydrophobicContact CG-CE1 4.34Å; M210-Y231 HydrophobicContact CE-CD1 3.34Å; M210-Y231 HydrophobicContact CE-CE1 4.21Å; M210-Y231 HydrophobicContact CE-CG 3.57Å; L228-Y231 HydrophobicContact CB-CD2 4.48Å; L228-Y231 HydrophobicContact CD2-CD2 3.91Å; L228-Y231 HydrophobicContact CD2-CE2 4.33Å; L228-Y231 PolarHBondContact O-N 3.37Å; E229-Y231 PolarHBondContact O-N 3.27Å; E229-Y231 VanDerWaalsContact O-N 3.08Å; Y231-Y233 VanDerWaalsContact C-N 3.31Å; Y231-Y233 PolarHBondContact O-N 3.46Å; Y231-S234 WeakPolarHBondContact O-CB 3.34Å; Y231-S234 PolarHBondContact O-N 3.01Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; Y231-S234 PolarHBondContact O-OG 3.29Å
232R81.5Confident81.9Confident58 Ų5832 Ų3222%0.21916%0.16CC..G310 helixtrans-55.2-41.8-175.6-72.7-174.4-70.4-165.7-4.6113.8L228 E229 S234 L350L228-R232 PolarHBondContact O-N 3.3Å; E229-R232 PolarHBondContact O-N 2.96Å; E229-R232 IonicContact OE1-NH2 3.65Å; E229-R232 PolarHBondContact OE1-NH2 3.28Å; E229-R232 IonicContact OE2-NH2 2.7Å; R232-S234 VanDerWaalsContact C-N 3.31Å; R232-S234 PolarHBondContact O-N 3.24Å; R232-L350 HydrophobicContact CG-CD1 3.81Å; R232-L350 HydrophobicContact CG-CD2 4.38Å; R232-L350 HydrophobicContact CG-CG 4.22Å
233Y80.8Confident82.3Confident171 Ų17132.1 Ų32.167%0.67116%0.16SC*.G310 helixtrans-87.33-175.3-54.8-69.1000114.1Y231 G235Y231-Y233 VanDerWaalsContact C-N 3.31Å; Y231-Y233 PolarHBondContact O-N 3.46Å; Y233-G235 VanDerWaalsContact C-N 3.29Å; Y233-G235 PolarHBondContact O-N 2.62Å
234S76.3Confident82.3Confident30 Ų3032.3 Ų32.321%0.2116%0.162CC..G310 helixtrans-81.1-7.1-179.367.80000114Y231 R232 V236Y231-S234 WeakPolarHBondContact O-CB 3.34Å; Y231-S234 PolarHBondContact O-N 3.01Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; Y231-S234 PolarHBondContact O-OG 3.29Å; R232-S234 VanDerWaalsContact C-N 3.31Å; R232-S234 PolarHBondContact O-N 3.24Å; S234-V236 PolarHBondContact O-N 3.46Å; S234-V236 WeakPolarHBondContact OG-CG2 3.24Å
235G74.4Confident82.5Confident20 Ų2034.2 Ų34.221%0.20617%0.173CC..  trans73.61.718000000115.1E212 Y233E212-G235 WeakPolarHBondContact CA-O 3.35Å; Y233-G235 VanDerWaalsContact C-N 3.29Å; Y233-G235 PolarHBondContact O-N 2.62Å
236V86.2Confident82.7Confident7 Ų736.5 Ų36.54%0.04219%0.186CC..  trans-69.4134.3178.6179.60000110.8M210 T211 Y216 S234 M238M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CE-CG2 4.43Å; M210-V236 HydrophobicContact SD-CG2 3.99Å; T211-V236 VanDerWaalsContact N-CG2 3.3Å; T211-V236 WeakPolarHBondContact O-CG2 3.28Å; Y216-V236 HydrophobicContact CD2-CG1 3.55Å; Y216-V236 HydrophobicContact CE2-CG1 3.9Å; Y216-V236 HydrophobicContact CG-CG1 4.47Å; S234-V236 PolarHBondContact O-N 3.46Å; S234-V236 WeakPolarHBondContact OG-CG2 3.24Å; V236-M238 HydrophobicContact CB-CG 4.32Å; V236-M238 HydrophobicContact CG1-CG 3.7Å; V236-M238 PolarHBondContact O-N 2.61Å
237N87.6Confident82.8Confident71 Ų7141.4 Ų41.438%0.3821%0.212SC..EExtended strand (participates in β ladder)trans-78.5104.7169.1-76.6-39.5000109.4Y214 H215 Y216Y214-N237 PolarHBondContact O-N 3.14Å; H215-N237 CarbonylContact C-O 3.53Å; H215-N237 VanDerWaalsContact CA-O 3.29Å; H215-N237 WeakPolarHBondContact CA-O 3.32Å; H215-N237 HydrophobicContact CB-CB 4.25Å; H215-N237 PolarHBondContact CD2-O 3.06Å; Y216-N237 PolarHBondContact N-O 3.39Å
238M89.4Confident83Confident1 Ų141.6 Ų41.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-106.5127173.1-60.4177.160.900109.2L201 M210 Y216 F218 L228 V236 S349 L350L201-M238 HydrophobicContact CD1-CE 4.16Å; L201-M238 HydrophobicContact CD2-CE 3.56Å; M210-M238 HydrophobicContact CE-SD 3.95Å; Y216-M238 WeakPolarHBondContact O-CA 3.14Å; F218-M238 HydrophobicContact CD2-CE 4.45Å; F218-M238 HydrophobicContact CE2-CE 3.69Å; F218-M238 HydrophobicContact CZ-CE 4.31Å; L228-M238 HydrophobicContact CD2-CE 3.88Å; V236-M238 HydrophobicContact CB-CG 4.32Å; V236-M238 HydrophobicContact CG1-CG 3.7Å; V236-M238 PolarHBondContact O-N 2.61Å; M238-S349 CarbonylContact O-C 3.58Å; M238-S349 VanDerWaalsContact O-CA 3.31Å; M238-S349 WeakPolarHBondContact O-CA 3.47Å; M238-S349 PolarHBondContact O-OG 3.37Å; M238-L350 HydrophobicContact CB-CB 3.86Å; M238-L350 HydrophobicContact CB-CD2 4.24Å; M238-L350 HydrophobicContact CG-CD2 4.28Å; M238-L350 PolarHBondContact O-N 3.09Å; M238-L350 HydrophobicContact SD-CD2 3.6Å; M238-L350 VanDerWaalsContact SD-CD2 3.6Å
239T90.4Very high83Confident1 Ų146.1 Ų46.11%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-129.7152.1179.145.90000109.9H215 Y216 F217 F218 I348H215-T239 PolarHBondContact NE2-OG1 2.83Å; Y216-T239 PolarHBondContact O-N 3.08Å; Y216-T239 PolarHBondContact O-OG1 2.85Å; F217-T239 CarbonylContact C-O 3.52Å; F217-T239 WeakPolarHBondContact CA-O 3.42Å; F217-T239 VanDerWaalsContact CD2-OG1 3.23Å; F217-T239 WeakPolarHBondContact CD2-OG1 3.37Å; F218-T239 PolarHBondContact N-O 3.29Å; T239-I348 WeakPolarHBondContact CA-O 3.41Å
240G90.6Very high82.8Confident0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-168.7-178.4174.300000112.4F218 I348F218-G240 VanDerWaalsContact O-CA 3.32Å; F218-G240 WeakPolarHBondContact O-CA 3.43Å; G240-I348 PolarHBondContact N-O 3.22Å; G240-I348 WeakPolarHBondContact O-CG1 3.44Å; G240-I348 PolarHBondContact O-N 3.3Å
241F88.8Confident82.5Confident0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-99.3147.5-179.3-67.1-52.3000112.1I118 A121 V122 I125 F217 L221 L345 D346 V347I118-F241 HydrophobicContact CG2-CE2 4.28Å; A121-F241 HydrophobicContact CB-CE1 4.17Å; A121-F241 HydrophobicContact CB-CE2 4.34Å; A121-F241 HydrophobicContact CB-CZ 3.63Å; V122-F241 HydrophobicContact CG2-CE2 3.65Å; V122-F241 HydrophobicContact CG2-CZ 4.17Å; I125-F241 HydrophobicContact CD1-CD1 4.45Å; I125-F241 HydrophobicContact CD1-CE1 3.45Å; I125-F241 VanDerWaalsContact CD1-CE1 3.45Å; I125-F241 HydrophobicContact CD1-CZ 3.67Å; F217-F241 HydrophobicContact CE1-CD2 4.12Å; F217-F241 AromaticContact CE1-CE2 3.72Å; F217-F241 HydrophobicContact CE1-CE2 3.72Å; F217-F241 HydrophobicContact CE1-CZ 4.18Å; F217-F241 HydrophobicContact CE2-CZ 4.44Å; F217-F241 HydrophobicContact CZ-CD1 4.28Å; F217-F241 AromaticContact CZ-CD2 3.78Å; F217-F241 HydrophobicContact CZ-CD2 3.78Å; F217-F241 AromaticContact CZ-CE1 3.94Å; F217-F241 HydrophobicContact CZ-CE1 3.94Å; F217-F241 AromaticContact CZ-CE2 3.41Å; F217-F241 HydrophobicContact CZ-CE2 3.41Å; F217-F241 VanDerWaalsContact CZ-CE2 3.41Å; F217-F241 HydrophobicContact CZ-CG 4.2Å; F217-F241 AromaticContact CZ-CZ 3.49Å; F217-F241 HydrophobicContact CZ-CZ 3.49Å; F217-F241 VanDerWaalsContact CZ-CZ 3.49Å; L221-F241 CarbonylContact C-O 3.47Å; L221-F241 HydrophobicContact CD2-CB 3.75Å; F241-L345 HydrophobicContact CD1-CB 4.31Å; F241-L345 HydrophobicContact CD1-CD1 4.22Å; F241-L345 HydrophobicContact CE1-CD1 4.33Å; F241-L345 HydrophobicContact CG-CD1 4.33Å; F241-D346 WeakPolarHBondContact CA-O 3.42Å; F241-V347 HydrophobicContact CD1-CG2 4.26Å; F241-V347 HydrophobicContact CE1-CG2 4.09Å
242R85.7Confident82.2Confident22 Ų2247.4 Ų47.48%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-130.6118.1171.4-177.5-179.674.5171.59.1108.5F224 L244 D247 D346 I348F224-R242 HydrophobicContact CD1-CG 4.06Å; R242-L244 WeakPolarHBondContact CD-O 3.39Å; R242-L244 VanDerWaalsContact CG-O 3.26Å; R242-L244 WeakPolarHBondContact CG-O 2.95Å; R242-L244 PolarHBondContact NE-O 3.17Å; R242-D247 IonicContact CZ-OD2 3.82Å; R242-D247 IonicContact NH2-OD2 2.99Å; R242-D247 PolarHBondContact NH2-OD2 3.13Å; R242-D346 HydrophobicContact CB-CB 4.07Å; R242-D346 IonicContact CZ-OD2 3.32Å; R242-D346 PolarHBondContact N-O 3.3Å; R242-D346 IonicContact NE-OD2 2.94Å; R242-D346 PolarHBondContact NE-OD2 2.76Å; R242-D346 IonicContact NH2-OD2 4Å; R242-D346 PolarHBondContact NH2-OD2 3Å; R242-D346 WeakPolarHBondContact O-CB 3.42Å; R242-D346 PolarHBondContact O-N 3.43Å; R242-I348 HydrophobicContact CB-CD1 4.04Å; R242-I348 HydrophobicContact CB-CG1 4.24Å; R242-I348 HydrophobicContact CB-CG2 3.85Å
243L82.3Confident82.2Confident10 Ų1046.9 Ų46.95%0.05225%0.246CC..  trans-86.8-21.2176.2-178.266.5000112.2P113 L221 I280 T328 F343 L345P113-L243 HydrophobicContact CG-CD1 4.21Å; P113-L243 HydrophobicContact CG-CD2 3.77Å; L221-L243 HydrophobicContact CB-CB 4.33Å; L221-L243 HydrophobicContact CD1-CB 4.18Å; L221-L243 HydrophobicContact CD1-CD2 3.95Å; L221-L243 HydrophobicContact CD2-CB 4.4Å; L243-I280 HydrophobicContact CB-CD1 4.11Å; L243-I280 HydrophobicContact CD2-CG2 4.22Å; L243-T328 HydrophobicContact CD2-CG2 3.9Å; L243-T328 HydrophobicContact CG-CG2 3.83Å; L243-T328 WeakPolarHBondContact O-CA 3.39Å; L243-F343 HydrophobicContact CD1-CD2 4.26Å; L243-L345 HydrophobicContact CB-CD2 4.36Å; L243-L345 HydrophobicContact CD1-CD2 3.93Å
244L79.1Confident82Confident5 Ų539.5 Ų39.53%0.02622%0.218CC..SBendtrans-91.6123.8-178.1-169.274.5000111F224 R242 V246 V251 L255 I280 L327F224-L244 HydrophobicContact CZ-CD2 4.49Å; R242-L244 WeakPolarHBondContact CD-O 3.39Å; R242-L244 VanDerWaalsContact CG-O 3.26Å; R242-L244 WeakPolarHBondContact CG-O 2.95Å; R242-L244 PolarHBondContact NE-O 3.17Å; L244-V246 HydrophobicContact CD2-CG2 4.21Å; L244-V246 HydrophobicContact CG-CG2 4.47Å; L244-V246 PolarHBondContact O-N 3.13Å; L244-V246 VanDerWaalsContact O-N 3.11Å; L244-V251 HydrophobicContact CD1-CG1 3.74Å; L244-V251 HydrophobicContact CD2-CG1 4.02Å; L244-V251 HydrophobicContact CG-CG1 3.8Å; L244-L255 HydrophobicContact CD2-CD1 3.97Å; L244-L255 HydrophobicContact CD2-CD2 4.09Å; L244-L255 HydrophobicContact CD2-CG 4.45Å; L244-I280 HydrophobicContact CB-CD1 3.78Å; L244-I280 HydrophobicContact CB-CG1 4.07Å; L244-L327 HydrophobicContact CD1-CB 3.74Å; L244-L327 WeakPolarHBondContact CD1-O 3.44Å
245N78.3Confident82Confident55 Ų5539.4 Ų39.429%0.29422%0.215SC..  trans-83.589.1173.8-173-8.9000109.9D247 N248 V251N245-D247 PolarHBondContact O-N 2.85Å; N245-D247 WeakPolarHBondContact OD1-CB 3.32Å; N245-D247 PolarHBondContact OD1-N 2.93Å; N245-N248 PolarHBondContact O-N 3.43Å; N245-N248 PolarHBondContact OD1-N 3.1Å; N245-V251 WeakPolarHBondContact O-CB 3.39Å
246V74.8Confident82Confident51 Ų5144.9 Ų44.931%0.30924%0.235SC..THydrogen-bonded Turntrans-65.1-26.6179.2-177.40000111.8L244 N248 L255L244-V246 HydrophobicContact CD2-CG2 4.21Å; L244-V246 HydrophobicContact CG-CG2 4.47Å; L244-V246 PolarHBondContact O-N 3.13Å; L244-V246 VanDerWaalsContact O-N 3.11Å; V246-N248 PolarHBondContact O-N 3.21Å; V246-L255 HydrophobicContact CG1-CD1 4.29Å; V246-L255 HydrophobicContact CG2-CD1 4.42Å
247D79.4Confident81.6Confident106 Ų10649.7 Ų49.757%0.56725%0.253SS*.THydrogen-bonded Turntrans-70.8-14.5-177.6-47.3-46.1000111.8R242 N245R242-D247 IonicContact CZ-OD2 3.82Å; R242-D247 IonicContact NH2-OD2 2.99Å; R242-D247 PolarHBondContact NH2-OD2 3.13Å; N245-D247 PolarHBondContact O-N 2.85Å; N245-D247 WeakPolarHBondContact OD1-CB 3.32Å; N245-D247 PolarHBondContact OD1-N 2.93Å
248N82.6Confident81Confident59 Ų5946.8 Ų46.832%0.31624%0.237SC..SBendtrans-77.1122.8175.2-172.9-32.3000110.9N245 V246 R250 V251 A252N245-N248 PolarHBondContact O-N 3.43Å; N245-N248 PolarHBondContact OD1-N 3.1Å; V246-N248 PolarHBondContact O-N 3.21Å; N248-R250 PolarHBondContact O-N 3.48Å; N248-R250 VanDerWaalsContact O-N 3.11Å; N248-R250 WeakPolarHBondContact OD1-CB 3.35Å; N248-R250 PolarHBondContact OD1-N 3.29Å; N248-V251 HydrophobicContact CB-CB 4.28Å; N248-V251 HydrophobicContact CB-CG2 3.92Å; N248-V251 WeakPolarHBondContact O-CA 3.42Å; N248-V251 WeakPolarHBondContact O-CB 3.47Å; N248-V251 PolarHBondContact O-N 3.43Å; N248-A252 PolarHBondContact O-N 3.28Å
249P83.8Confident80.1Confident103 Ų10348.2 Ų48.267%0.66925%0.249SC*.Hα-helixtrans-60.7-29-176.923.9-34.8000113.3V251 S253P249-V251 VanDerWaalsContact C-N 3.33Å; P249-S253 WeakPolarHBondContact O-CB 3.45Å; P249-S253 PolarHBondContact O-N 3.46Å
250R78.4Confident79.1Confident192 Ų19254.3 Ų54.373%0.72528%0.279SS*.Hα-helixtrans-64.5-41.2174.5-66.4-175.1-178172.32.5111.1N248 S253 V254N248-R250 PolarHBondContact O-N 3.48Å; N248-R250 VanDerWaalsContact O-N 3.11Å; N248-R250 WeakPolarHBondContact OD1-CB 3.35Å; N248-R250 PolarHBondContact OD1-N 3.29Å; R250-S253 PolarHBondContact O-OG 3.18Å; R250-V254 WeakPolarHBondContact O-CG2 3.12Å; R250-V254 PolarHBondContact O-N 2.82Å
251V77.7Confident78Confident4 Ų457.5 Ų57.52%0.02429%0.293CS..Hα-helixtrans-71.9-45.8-179.5-179.10000110.2L244 N245 N248 P249 S253 V254 L255 L327L244-V251 HydrophobicContact CD1-CG1 3.74Å; L244-V251 HydrophobicContact CD2-CG1 4.02Å; L244-V251 HydrophobicContact CG-CG1 3.8Å; N245-V251 WeakPolarHBondContact O-CB 3.39Å; N248-V251 HydrophobicContact CB-CB 4.28Å; N248-V251 HydrophobicContact CB-CG2 3.92Å; N248-V251 WeakPolarHBondContact O-CA 3.42Å; N248-V251 WeakPolarHBondContact O-CB 3.47Å; N248-V251 PolarHBondContact O-N 3.43Å; P249-V251 VanDerWaalsContact C-N 3.33Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.12Å; V251-V254 PolarHBondContact O-N 2.83Å; V251-L255 HydrophobicContact CG1-CD1 4.11Å; V251-L255 HydrophobicContact CG1-CG 4.38Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 2.99Å; V251-L327 HydrophobicContact CB-CD2 4.44Å; V251-L327 HydrophobicContact CG1-CD2 4.44Å; V251-L327 HydrophobicContact CG2-CB 4.41Å; V251-L327 HydrophobicContact CG2-CD2 3.95Å
252A78.6Confident76.7Confident30 Ų3060.2 Ų60.225%0.24830%0.304CS..Hα-helixtrans-54.2-47.4175.100000112.1N248 V254 L255 E256N248-A252 PolarHBondContact O-N 3.28Å; A252-V254 PolarHBondContact O-N 3.3Å; A252-L255 WeakPolarHBondContact O-CB 3.31Å; A252-L255 PolarHBondContact O-N 3.36Å; A252-L255 VanDerWaalsContact O-N 3.12Å; A252-E256 WeakPolarHBondContact O-CG 3.41Å; A252-E256 PolarHBondContact O-N 3.27Å
253S81.3Confident75.3Confident47 Ų4765.2 Ų65.233%0.32933%0.332SS..Hα-helixtrans-63.2-26.2177.677.50000114.5P249 R250 V251 R257P249-S253 WeakPolarHBondContact O-CB 3.45Å; P249-S253 PolarHBondContact O-N 3.46Å; R250-S253 PolarHBondContact O-OG 3.18Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.12Å; S253-R257 WeakPolarHBondContact O-CG 3.35Å; S253-R257 PolarHBondContact O-N 3.46Å; S253-R257 PolarHBondContact O-NE 3.32Å
254V76.8Confident73.9Confident16 Ų1673.2 Ų73.210%0.09737%0.368CS..Hα-helixtrans-80.7-38.5176.4171.90000110F21 R250 V251 A252 W258 N283 L327F21-V254 HydrophobicContact CE1-CG1 4.21Å; R250-V254 WeakPolarHBondContact O-CG2 3.12Å; R250-V254 PolarHBondContact O-N 2.82Å; V251-V254 PolarHBondContact O-N 2.83Å; A252-V254 PolarHBondContact O-N 3.3Å; V254-W258 WeakPolarHBondContact O-CB 3.37Å; V254-W258 PolarHBondContact O-N 3.49Å; V254-N283 VanDerWaalsContact CG1-ND2 3.3Å; V254-N283 WeakPolarHBondContact CG1-ND2 3.12Å; V254-L327 HydrophobicContact CB-CD2 4.35Å; V254-L327 HydrophobicContact CG1-CD1 4.23Å; V254-L327 HydrophobicContact CG1-CD2 4.37Å; V254-L327 HydrophobicContact CG2-CD2 4.28Å
255L74.9Confident72.4Confident27 Ų2774.7 Ų74.714%0.14138%0.382CS..Hα-helixtrans-63.9-45.3175.1-70.6172.4000111.7L244 V246 V251 A252 R257 W258 A259 M278L244-L255 HydrophobicContact CD2-CD1 3.97Å; L244-L255 HydrophobicContact CD2-CD2 4.09Å; L244-L255 HydrophobicContact CD2-CG 4.45Å; V246-L255 HydrophobicContact CG1-CD1 4.29Å; V246-L255 HydrophobicContact CG2-CD1 4.42Å; V251-L255 HydrophobicContact CG1-CD1 4.11Å; V251-L255 HydrophobicContact CG1-CG 4.38Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 2.99Å; A252-L255 WeakPolarHBondContact O-CB 3.31Å; A252-L255 PolarHBondContact O-N 3.36Å; A252-L255 VanDerWaalsContact O-N 3.12Å; L255-R257 PolarHBondContact O-N 3.08Å; L255-W258 PolarHBondContact O-N 3.23Å; L255-A259 WeakPolarHBondContact O-CB 3.43Å; L255-A259 PolarHBondContact O-N 3.42Å; L255-M278 HydrophobicContact CD2-CB 3.89Å; L255-M278 HydrophobicContact CD2-CG 4.4Å
256E75.9Confident70.7Confident135 Ų13578.2 Ų78.263%0.63141%0.408SS*.Hα-helixtrans-60.1-45.8176.3-73.8176.1178.800112A252 W258 A259 M260A252-E256 WeakPolarHBondContact O-CG 3.41Å; A252-E256 PolarHBondContact O-N 3.27Å; E256-W258 VanDerWaalsContact C-N 3.31Å; E256-W258 PolarHBondContact O-N 2.82Å; E256-A259 PolarHBondContact O-N 2.88Å; E256-M260 WeakPolarHBondContact O-CG 3.27Å; E256-M260 PolarHBondContact O-N 2.92Å
257R77.3Confident68.9Low109 Ų10981.1 Ų81.141%0.41143%0.43SS..Hα-helixtrans-62.8-39.3176.9-76.8-175.8-72.4159.8-7.2112.4F21 N25 S253 L255 M260 E261F21-R257 HydrophobicContact CZ-CB 4.15Å; N25-R257 PolarHBondContact ND2-NH1 3.08Å; N25-R257 PolarHBondContact OD1-NH1 3.36Å; S253-R257 WeakPolarHBondContact O-CG 3.35Å; S253-R257 PolarHBondContact O-N 3.46Å; S253-R257 PolarHBondContact O-NE 3.32Å; L255-R257 PolarHBondContact O-N 3.08Å; R257-M260 PolarHBondContact O-N 2.94Å; R257-E261 PolarHBondContact O-N 3.25Å; R257-E261 VanDerWaalsContact O-N 3.15Å
258W74.6Confident67.2Low10 Ų1080.9 Ų80.94%0.03842%0.424CS..Hα-helixtrans-66.4-42.6175.4169.3-102.4000112.2V14 L17 A18 F21 V254 L255 E256 M260 E261 R262 G276 M277 M278V14-W258 HydrophobicContact CG1-CZ2 4.33Å; L17-W258 HydrophobicContact CB-CH2 3.7Å; L17-W258 HydrophobicContact CB-CZ3 4.33Å; A18-W258 HydrophobicContact CB-CH2 3.9Å; A18-W258 HydrophobicContact CB-CZ3 4.28Å; F21-W258 HydrophobicContact CB-CE3 3.78Å; F21-W258 HydrophobicContact CB-CZ3 3.55Å; F21-W258 AromaticContact CD1-CE3 3.71Å; F21-W258 HydrophobicContact CD1-CE3 3.71Å; F21-W258 HydrophobicContact CD1-CZ3 4.27Å; F21-W258 HydrophobicContact CD2-CE3 4.01Å; F21-W258 HydrophobicContact CE1-CB 4.09Å; F21-W258 HydrophobicContact CE1-CE3 4.2Å; F21-W258 HydrophobicContact CE2-CE3 4.49Å; F21-W258 AromaticContact CG-CE3 3.56Å; F21-W258 HydrophobicContact CG-CE3 3.56Å; F21-W258 AromaticContact CG-CZ3 3.91Å; F21-W258 HydrophobicContact CG-CZ3 3.91Å; F21-W258 HydrophobicContact CZ-CB 4.02Å; V254-W258 WeakPolarHBondContact O-CB 3.37Å; V254-W258 PolarHBondContact O-N 3.49Å; L255-W258 PolarHBondContact O-N 3.23Å; E256-W258 VanDerWaalsContact C-N 3.31Å; E256-W258 PolarHBondContact O-N 2.82Å; W258-M260 VanDerWaalsContact C-N 3.26Å; W258-M260 PolarHBondContact O-N 3.27Å; W258-E261 PolarHBondContact O-N 3.19Å; W258-R262 WeakPolarHBondContact O-CB 3.44Å; W258-R262 PolarHBondContact O-N 3.19Å; W258-G276 PolarHBondContact NE1-O 3.12Å; W258-M277 PolarHBondContact NE1-O 3.06Å; W258-M278 HydrophobicContact CB-CE 4.37Å; W258-M278 HydrophobicContact CB-CG 3.86Å; W258-M278 HydrophobicContact CD2-CE 3.51Å; W258-M278 HydrophobicContact CD2-CG 3.61Å; W258-M278 HydrophobicContact CD2-SD 3.23Å; W258-M278 HydrophobicContact CE3-CE 3.27Å; W258-M278 HydrophobicContact CE3-CG 4.38Å; W258-M278 HydrophobicContact CE3-SD 3.57Å; W258-M278 VanDerWaalsContact CE3-SD 3.57Å; W258-M278 HydrophobicContact CG-CB 4.35Å; W258-M278 HydrophobicContact CG-CE 4.01Å; W258-M278 HydrophobicContact CG-CG 3.33Å; W258-M278 HydrophobicContact CG-SD 3.7Å; W258-M278 HydrophobicContact CH2-CE 4.17Å; W258-M278 HydrophobicContact CH2-SD 3.75Å; W258-M278 HydrophobicContact CZ2-CE 4.39Å; W258-M278 HydrophobicContact CZ2-SD 3.46Å; W258-M278 WeakPolarHBondContact CZ2-SD 3.47Å; W258-M278 HydrophobicContact CZ3-CE 3.63Å; W258-M278 HydrophobicContact CZ3-SD 3.81Å
259A70.4Confident65.4Low31 Ų3185.7 Ų85.726%0.25645%0.448SS..Hα-helixtrans-58.4-41.2176.800000111.4L255 E256 R262 L263L255-A259 WeakPolarHBondContact O-CB 3.43Å; L255-A259 PolarHBondContact O-N 3.42Å; E256-A259 PolarHBondContact O-N 2.88Å; A259-R262 PolarHBondContact O-N 3.49Å; A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 2.86Å; A259-L263 VanDerWaalsContact O-N 3.12Å
260M70.4Confident63.5Low129 Ų12983.3 Ų83.364%0.63543%0.428SS*.Hα-helixtrans-64.5-40.8175.5-69.4-68.7-76.600113.5E256 R257 W258 L263E256-M260 WeakPolarHBondContact O-CG 3.27Å; E256-M260 PolarHBondContact O-N 2.92Å; R257-M260 PolarHBondContact O-N 2.94Å; W258-M260 VanDerWaalsContact C-N 3.26Å; W258-M260 PolarHBondContact O-N 3.27Å; M260-L263 HydrophobicContact SD-CD1 4.39Å
261E66.6Low62Low66 Ų6678.3 Ų78.331%0.30842%0.419SS..Hα-helixtrans-73.5-28.4176.3-70.4-164.9-170.100112.3F21 R28 R257 W258 Q264F21-E261 WeakPolarHBondContact CD2-OE2 3.36Å; F21-E261 HydrophobicContact CE2-CG 4.31Å; R28-E261 IonicContact CZ-OE1 3.81Å; R28-E261 IonicContact NH1-OE1 2.87Å; R28-E261 PolarHBondContact NH1-OE1 3.2Å; R28-E261 IonicContact NH2-OE1 3.09Å; R257-E261 PolarHBondContact O-N 3.25Å; R257-E261 VanDerWaalsContact O-N 3.15Å; W258-E261 PolarHBondContact O-N 3.19Å; E261-Q264 PolarHBondContact O-N 3.23Å
262R62.6Low60.6Low57 Ų5779.3 Ų79.322%0.21543%0.43CS..Hα-helixtrans-72-30.8175.7-172.2165.9173-172.91.1112.9W258 A259 Q264 A265 E270 M277W258-R262 WeakPolarHBondContact O-CB 3.44Å; W258-R262 PolarHBondContact O-N 3.19Å; A259-R262 PolarHBondContact O-N 3.49Å; R262-Q264 PolarHBondContact O-N 3.04Å; R262-A265 WeakPolarHBondContact O-CB 3.37Å; R262-A265 PolarHBondContact O-N 3.27Å; R262-A265 VanDerWaalsContact O-N 3.12Å; R262-E270 IonicContact NH2-OE2 2.85Å; R262-M277 PolarHBondContact NH1-O 3.41Å
263L55.8Low59.2Low128 Ų12879.6 Ų79.667%0.6743%0.427SS*.THydrogen-bonded Turntrans-62.9-18.1173.6-78.3162.8000113.7A259 M260A259-L263 WeakPolarHBondContact O-CG 3.36Å; A259-L263 PolarHBondContact O-N 2.86Å; A259-L263 VanDerWaalsContact O-N 3.12Å; M260-L263 HydrophobicContact SD-CD1 4.39Å
264Q52.4Low57.4Low177 Ų17781.4 Ų81.483%0.82743%0.431SS*.THydrogen-bonded Turntrans-88.7-10176.2-63.4-175.9-8.100113.4E261 R262E261-Q264 PolarHBondContact O-N 3.23Å; R262-Q264 PolarHBondContact O-N 3.04Å
265A47.3Very low55.5Low37 Ų3788.5 Ų88.531%0.30646%0.463SS..SBendtrans-86.6152.9174.600000110.8R262 S267R262-A265 WeakPolarHBondContact O-CB 3.37Å; R262-A265 PolarHBondContact O-N 3.27Å; R262-A265 VanDerWaalsContact O-N 3.12Å; A265-S267 PolarHBondContact O-N 2.85Å
266P42.2Very low53.9Low129 Ų12987.9 Ų87.984%0.83846%0.463SS*.PPolyproline II helixtrans-57.3129.1178.7-1.23.7000110.8K268P266-K268 PolarHBondContact O-N 3.1Å
267S38Very low52.5Low111 Ų11183.1 Ų83.178%0.77644%0.441SS*.PPolyproline II helixtrans-66117.6-179.851.30000110.1A265A265-S267 PolarHBondContact O-N 2.85Å
268K44.4Very low51Low102 Ų10278.5 Ų78.544%0.44343%0.425SS..PPolyproline II helixtrans-85.9131.8153.6-86.3179.2169.2178.10107.8E10 P266 E270E10-K268 IonicContact OE1-NZ 3.12Å; E10-K268 PolarHBondContact OE1-NZ 3.41Å; E10-K268 IonicContact OE2-NZ 2.89Å; E10-K268 PolarHBondContact OE2-NZ 3.04Å; P266-K268 PolarHBondContact O-N 3.1Å; K268-E270 HydrophobicContact CB-CG 3.97Å; K268-E270 HydrophobicContact CD-CG 4.05Å; K268-E270 VanDerWaalsContact CD-OE1 3.22Å; K268-E270 WeakPolarHBondContact CD-OE1 3.48Å; K268-E270 IonicContact NZ-OE1 3.83Å; K268-E270 PolarHBondContact NZ-OE1 2.87Å; K268-E270 PolarHBondContact O-N 3.09Å
269I43.5Very low49.8Very low160 Ų16079 Ų7982%0.82143%0.429SS*.  trans-70.572.5157.3-56168.4000106.1T271I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 2.86Å; I269-T271 VanDerWaalsContact O-N 3.11Å
270E44.9Very low48.9Very low52 Ų5278.7 Ų78.724%0.24342%0.423CS..  trans-75.297.4170.6-94.2172-169.200107.2R262 K268 G272 M273R262-E270 IonicContact NH2-OE2 2.85Å; K268-E270 HydrophobicContact CB-CG 3.97Å; K268-E270 HydrophobicContact CD-CG 4.05Å; K268-E270 VanDerWaalsContact CD-OE1 3.22Å; K268-E270 WeakPolarHBondContact CD-OE1 3.48Å; K268-E270 IonicContact NZ-OE1 3.83Å; K268-E270 PolarHBondContact NZ-OE1 2.87Å; K268-E270 PolarHBondContact O-N 3.09Å; E270-G272 PolarHBondContact O-N 3.34Å; E270-M273 HydrophobicContact CB-SD 4.42Å; E270-M273 PolarHBondContact O-N 3.36Å
271T47Very low48.1Very low88 Ų8875.2 Ų75.254%0.5440%0.402SS..THydrogen-bonded Turntrans-60.6104.9-170.653.20000112.3K202 I269K202-T271 VanDerWaalsContact NZ-CB 3.31Å; K202-T271 PolarHBondContact NZ-O 3.48Å; K202-T271 PolarHBondContact NZ-OG1 3.06Å; K202-T271 VanDerWaalsContact NZ-OG1 3.16Å; I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 2.86Å; I269-T271 VanDerWaalsContact O-N 3.11Å
272G48.7Very low47.3Very low25 Ų2572.7 Ų72.726%0.25839%0.391SS..THydrogen-bonded Turntrans101.516.2171.300000115.9D227 E270D227-G272 PolarHBondContact N-O 2.81Å; E270-G272 PolarHBondContact O-N 3.34Å
273M48.7Very low46.4Very low36 Ų3670.8 Ų70.818%0.17739%0.385CS..BIsolated β-bridgetrans-104.8147.4166.8-68.2-17876.800110.7Y194 A225 E270 E275Y194-M273 HydrophobicContact CD2-CE 4.04Å; Y194-M273 HydrophobicContact CD2-SD 4.1Å; Y194-M273 HydrophobicContact CE2-CE 3.6Å; Y194-M273 HydrophobicContact CE2-SD 3.51Å; Y194-M273 VanDerWaalsContact CE2-SD 3.51Å; A225-M273 HydrophobicContact CB-CE 4.44Å; A225-M273 WeakPolarHBondContact O-CA 3.45Å; E270-M273 HydrophobicContact CB-SD 4.42Å; E270-M273 PolarHBondContact O-N 3.36Å; M273-E275 PolarHBondContact O-N 3.2Å
274M43.4Very low45.9Very low84 Ų8465.7 Ų65.741%0.41436%0.359SS..  trans-67.7128.3164.7-96.9-176.5-9100110F224 A225 M277F224-M274 WeakPolarHBondContact O-CE 3.5Å; A225-M274 PolarHBondContact O-N 2.94Å; M274-M277 HydrophobicContact CB-CE 4.03Å; M274-M277 HydrophobicContact CE-CE 4.28Å; M274-M277 HydrophobicContact SD-CE 4.18Å
275E36.8Very low45.4Very low166 Ų16657.4 Ų57.478%0.77632%0.321SS*.THydrogen-bonded Turntrans-56.3143.4175.7-72-174159.400111M273 M277M273-E275 PolarHBondContact O-N 3.2Å; E275-M277 PolarHBondContact O-N 2.74Å
276G41.7Very low45.4Very low14 Ų1455.9 Ų55.914%0.14431%0.308CS..THydrogen-bonded Turntrans83.1-1172.200000116.5W258W258-G276 PolarHBondContact NE1-O 3.12Å
277M46.3Very low45.5Very low35 Ų3554 Ų5417%0.17229%0.286CS..PPolyproline II helixtrans-76.6133.5-174.4-154.475.378.600113.1F224 A225 W258 R262 M274 E275F224-M277 HydrophobicContact CD2-CE 3.97Å; F224-M277 HydrophobicContact CD2-CG 4.09Å; F224-M277 HydrophobicContact CD2-SD 3.88Å; F224-M277 HydrophobicContact CE2-CE 4.5Å; F224-M277 HydrophobicContact CE2-CG 3.69Å; F224-M277 HydrophobicContact CE2-SD 3.86Å; F224-M277 WeakPolarHBondContact O-CE 3.36Å; A225-M277 HydrophobicContact CB-CG 4.16Å; W258-M277 PolarHBondContact NE1-O 3.06Å; R262-M277 PolarHBondContact NH1-O 3.41Å; M274-M277 HydrophobicContact CB-CE 4.03Å; M274-M277 HydrophobicContact CE-CE 4.28Å; M274-M277 HydrophobicContact SD-CE 4.18Å; E275-M277 PolarHBondContact O-N 2.74Å
278M45.4Very low45.8Very low12 Ų1252.4 Ų52.46%0.05927%0.265CS..PPolyproline II helixtrans-73.6124.3167.8-98.9-56.8-154.100109.1A18 F21 L255 W258 I280A18-M278 HydrophobicContact CB-CE 3.99Å; A18-M278 HydrophobicContact CB-SD 3.85Å; F21-M278 HydrophobicContact CD1-CE 3.31Å; F21-M278 HydrophobicContact CE1-CE 3.78Å; F21-M278 HydrophobicContact CG-CE 4.19Å; L255-M278 HydrophobicContact CD2-CB 3.89Å; L255-M278 HydrophobicContact CD2-CG 4.4Å; W258-M278 HydrophobicContact CB-CE 4.37Å; W258-M278 HydrophobicContact CB-CG 3.86Å; W258-M278 HydrophobicContact CD2-CE 3.51Å; W258-M278 HydrophobicContact CD2-CG 3.61Å; W258-M278 HydrophobicContact CD2-SD 3.23Å; W258-M278 HydrophobicContact CE3-CE 3.27Å; W258-M278 HydrophobicContact CE3-CG 4.38Å; W258-M278 HydrophobicContact CE3-SD 3.57Å; W258-M278 VanDerWaalsContact CE3-SD 3.57Å; W258-M278 HydrophobicContact CG-CB 4.35Å; W258-M278 HydrophobicContact CG-CE 4.01Å; W258-M278 HydrophobicContact CG-CG 3.33Å; W258-M278 HydrophobicContact CG-SD 3.7Å; W258-M278 HydrophobicContact CH2-CE 4.17Å; W258-M278 HydrophobicContact CH2-SD 3.75Å; W258-M278 HydrophobicContact CZ2-CE 4.39Å; W258-M278 HydrophobicContact CZ2-SD 3.46Å; W258-M278 WeakPolarHBondContact CZ2-SD 3.47Å; W258-M278 HydrophobicContact CZ3-CE 3.63Å; W258-M278 HydrophobicContact CZ3-SD 3.81Å; M278-I280 PolarHBondContact O-N 2.86Å
279T50.1Low45.9Very low20 Ų2050.6 Ų50.612%0.12326%0.256CS..PPolyproline II helixtrans-64.1133.6154.340.80000108.1V14 R281V14-T279 WeakPolarHBondContact CG1-OG1 3.41Å; T279-R281 PolarHBondContact O-N 3.48Å
280I50.8Low45.9Very low25 Ų2544.8 Ų44.813%0.12823%0.226CC..THydrogen-bonded Turntrans-52.8-6.1-170-71.4176.1000115.2F224 L243 L244 M278 T328F224-I280 HydrophobicContact CE1-CD1 3.68Å; F224-I280 HydrophobicContact CE1-CG1 4.29Å; F224-I280 HydrophobicContact CZ-CD1 3.82Å; F224-I280 HydrophobicContact CZ-CG1 3.91Å; L243-I280 HydrophobicContact CB-CD1 4.11Å; L243-I280 HydrophobicContact CD2-CG2 4.22Å; L244-I280 HydrophobicContact CB-CD1 3.78Å; L244-I280 HydrophobicContact CB-CG1 4.07Å; M278-I280 PolarHBondContact O-N 2.86Å; I280-T328 HydrophobicContact CG2-CG2 3.48Å; I280-T328 VanDerWaalsContact CG2-CG2 3.48Å
281R53.6Low45.6Very low55 Ų5545.8 Ų45.821%0.20823%0.233CC..THydrogen-bonded Turntrans-106.19.5-142.8-65.3-170177-163.9-8.4117.8T94 H112 T279T94-R281 WeakPolarHBondContact CG2-O 3.12Å; H112-R281 PolarHBondContact CD2-NH2 3.07Å; H112-R281 VanDerWaalsContact CD2-NH2 3.35Å; H112-R281 PolarHBondContact NE2-NH2 3.35Å; T279-R281 PolarHBondContact O-N 3.48Å
282V49.1Very low45.4Very low13 Ų1351.3 Ų51.38%0.07924%0.244CC..SBendtrans-137.3-17.6-179.6-156.70000116.1E15 A18 F19 N284E15-V282 HydrophobicContact CB-CG2 4.41Å; A18-V282 HydrophobicContact CB-CB 3.77Å; A18-V282 HydrophobicContact CB-CG2 3.74Å; F19-V282 VanDerWaalsContact CA-CG1 3.43Å; F19-V282 HydrophobicContact CB-CG1 3.64Å; F19-V282 HydrophobicContact CD2-CG1 3.66Å; F19-V282 HydrophobicContact CG-CG1 4.14Å; V282-N284 PolarHBondContact O-N 2.97Å
283N45.1Very low45.2Very low17 Ų1751.9 Ų51.99%0.09124%0.244CC..Hα-helixtrans-77.3-26.5-170.2-131-6.3000114.7A22 V254 L327A22-N283 WeakPolarHBondContact CA-OD1 3.43Å; A22-N283 WeakPolarHBondContact CB-OD1 3.4Å; V254-N283 VanDerWaalsContact CG1-ND2 3.3Å; V254-N283 WeakPolarHBondContact CG1-ND2 3.12Å; N283-L327 HydrophobicContact CB-CD1 3.61Å
284N44.1Very low44.7Very low21 Ų2154.1 Ų54.111%0.11225%0.253CS..Hα-helixtrans-85.4-26.1-169.1-98-16.6000116.1V282 G326 L327 T328 I331V282-N284 PolarHBondContact O-N 2.97Å; N284-G326 VanDerWaalsContact CG-CA 3.5Å; N284-G326 WeakPolarHBondContact ND2-CA 3.49Å; N284-G326 WeakPolarHBondContact OD1-CA 3.49Å; N284-L327 VanDerWaalsContact CG-N 3.27Å; N284-L327 PolarHBondContact ND2-N 3.19Å; N284-L327 PolarHBondContact OD1-N 2.73Å; N284-T328 PolarHBondContact ND2-N 3.32Å; N284-I331 HydrophobicContact CB-CD1 4.23Å
285C42.3Very low44.5Very low4 Ų454.9 Ų54.93%0.02726%0.263CS..Hα-helixtrans-86.7-33.4-171.7-133.10000113.3F69 I92 L111 F287 Y289F69-C285 HydrophobicContact CE1-CB 3.79Å; F69-C285 HydrophobicContact CZ-CB 4.19Å; I92-C285 HydrophobicContact CG2-CB 4.27Å; L111-C285 HydrophobicContact CD1-CB 3.41Å; L111-C285 VanDerWaalsContact CD1-CB 3.41Å; L111-C285 WeakPolarHBondContact CD1-SG 3.43Å; L111-C285 WeakPolarHBondContact CD2-SG 3.4Å; C285-F287 PolarHBondContact O-N 3.02Å; C285-Y289 WeakPolarHBondContact O-CB 3.48Å; C285-Y289 PolarHBondContact O-N 3.01Å
286V46.9Very low44.6Very low5 Ų553.4 Ų53.43%0.0326%0.256CS..Hα-helixtrans-59.6-31.6174.1-169.70000110.1F19 A22 V23 I26 L38 F69F19-V286 HydrophobicContact CD2-CG2 4.28Å; F19-V286 HydrophobicContact CE2-CG2 4.13Å; A22-V286 HydrophobicContact CB-CB 4.3Å; A22-V286 HydrophobicContact CB-CG2 4Å; V23-V286 HydrophobicContact CG2-CG1 3.98Å; I26-V286 HydrophobicContact CD1-CB 3.57Å; I26-V286 HydrophobicContact CD1-CG1 3.41Å; I26-V286 VanDerWaalsContact CD1-CG1 3.41Å; L38-V286 HydrophobicContact CD1-CG1 3.64Å; F69-V286 HydrophobicContact CZ-CG2 4.36Å
287F45.3Very low44Very low89 Ų8958.2 Ų58.239%0.3929%0.287SS..Hα-helixtrans-66.6-41.1-172.1-155.3-92.4000114.8I26 L32 C285 L291I26-F287 HydrophobicContact CD1-CB 4.2Å; I26-F287 HydrophobicContact CD1-CD2 4.04Å; I26-F287 HydrophobicContact CG1-CD2 3.76Å; I26-F287 HydrophobicContact CG1-CE2 4.33Å; L32-F287 HydrophobicContact CD1-CD2 4.35Å; L32-F287 HydrophobicContact CD1-CE1 4.38Å; L32-F287 HydrophobicContact CD1-CE2 3.51Å; L32-F287 HydrophobicContact CD1-CZ 3.53Å; L32-F287 HydrophobicContact CD2-CE1 4.32Å; L32-F287 HydrophobicContact CD2-CZ 3.95Å; L32-F287 HydrophobicContact CG-CZ 4.43Å; C285-F287 PolarHBondContact O-N 3.02Å; F287-L291 HydrophobicContact CD1-CD1 4.48Å; F287-L291 HydrophobicContact CE1-CD1 4.38Å; F287-L291 VanDerWaalsContact O-CD1 3.3Å; F287-L291 WeakPolarHBondContact O-CD1 3.37Å
288K44.1Very low43.6Very low77 Ų7762.6 Ų62.634%0.33531%0.311SS..Hα-helixtrans-107.5-18.3-177.2-160.5165-178.6170.10114.7M290 Q323 W324K288-M290 PolarHBondContact O-N 2.73Å; K288-M290 VanDerWaalsContact O-N 3.11Å; K288-Q323 PolarHBondContact NZ-O 2.96Å; K288-W324 HydrophobicContact CB-CG 4.48Å; K288-W324 HydrophobicContact CD-CB 3.29Å; K288-W324 HydrophobicContact CD-CD2 3.97Å; K288-W324 HydrophobicContact CD-CE3 4.37Å; K288-W324 HydrophobicContact CD-CG 3.55Å; K288-W324 VanDerWaalsContact NZ-CB 3.25Å
289Y45.7Very low42.8Very low65 Ų6569.4 Ų69.426%0.25535%0.347SS..Hα-helixtrans-51.1-36.3171.4-179.4-92.3000111.3G66 A67 P90 I92 C285 Y319G66-Y289 PolarHBondContact O-OH 2.94Å; A67-Y289 HydrophobicContact CB-CD2 4.39Å; A67-Y289 HydrophobicContact CB-CE1 4.18Å; A67-Y289 HydrophobicContact CB-CE2 3.65Å; P90-Y289 HydrophobicContact CG-CE2 4.21Å; I92-Y289 HydrophobicContact CD1-CD2 4.09Å; C285-Y289 WeakPolarHBondContact O-CB 3.48Å; C285-Y289 PolarHBondContact O-N 3.01Å; Y289-Y319 AromaticContact CD2-CE2 3.65Å; Y289-Y319 HydrophobicContact CD2-CE2 3.65Å; Y289-Y319 HydrophobicContact CE2-CE2 4.05Å
290M44.8Very low42.1Very low38 Ų3873.3 Ų73.319%0.18738%0.382CS..SBendtrans-103.9-20.5-171.3-149158.9-7200115.8M33 L38 K288 R292 S293M33-M290 HydrophobicContact CE-CB 4.44Å; M33-M290 HydrophobicContact CE-CG 4.36Å; M33-M290 HydrophobicContact CE-SD 4.1Å; M33-M290 HydrophobicContact SD-CB 3.86Å; M33-M290 HydrophobicContact SD-CG 3.4Å; M33-M290 WeakPolarHBondContact SD-CG 3.3Å; M33-M290 HydrophobicContact SD-SD 3.61Å; M33-M290 VanDerWaalsContact SD-SD 3.61Å; L38-M290 HydrophobicContact CB-CE 4.42Å; L38-M290 HydrophobicContact CB-SD 3.86Å; L38-M290 HydrophobicContact CD1-CB 4.45Å; L38-M290 HydrophobicContact CD1-CE 3.31Å; L38-M290 HydrophobicContact CD1-SD 3.4Å; L38-M290 WeakPolarHBondContact CD1-SD 3.48Å; L38-M290 HydrophobicContact CG-CE 3.52Å; L38-M290 HydrophobicContact CG-SD 3.6Å; L38-M290 VanDerWaalsContact CG-SD 3.6Å; K288-M290 PolarHBondContact O-N 2.73Å; K288-M290 VanDerWaalsContact O-N 3.11Å; M290-R292 PolarHBondContact O-N 3.13Å; M290-S293 PolarHBondContact O-N 2.88Å; M290-S293 PolarHBondContact O-OG 3.19Å
291L38.5Very low41.3Very low73 Ų7376.3 Ų76.338%0.38241%0.41SS..THydrogen-bonded Turntrans-66.3-10.4-178.9-117.4123.5000114.6L32 F287L32-L291 HydrophobicContact CB-CD1 3.96Å; L32-L291 HydrophobicContact CD2-CD1 3.73Å; L32-L291 HydrophobicContact CG-CD1 4.24Å; F287-L291 HydrophobicContact CD1-CD1 4.48Å; F287-L291 HydrophobicContact CE1-CD1 4.38Å; F287-L291 VanDerWaalsContact O-CD1 3.3Å; F287-L291 WeakPolarHBondContact O-CD1 3.37Å
292R42.8Very low40.3Very low203 Ų20382.9 Ų82.977%0.76644%0.443SS*.THydrogen-bonded Turntrans-122.6-5.3-177.7-144.280170.6170.10114.6M290 H294M290-R292 PolarHBondContact O-N 3.13Å; R292-H294 PolarHBondContact O-N 3.04Å
293S43.8Very low39.6Very low37 Ų3790.7 Ų90.726%0.25948%0.479SS..G310 helixtrans-70.5-9.2167.660.10000112.9M290 T295M290-S293 PolarHBondContact O-N 2.88Å; M290-S293 PolarHBondContact O-OG 3.19Å; S293-T295 PolarHBondContact O-N 3Å
294H38.9Very low39.6Very low83 Ų8396.7 Ų96.738%0.38452%0.516SS..G310 helixtrans-70.4-0.1-179.9-121.734.7000116.2T36 R292T36-H294 PolarHBondContact OG1-CE1 2.86Å; R292-H294 PolarHBondContact O-N 3.04Å
295T39.6Very low39.3Very low100 Ų100100.6 Ų100.661%0.61354%0.541SS*.G310 helixtrans-82.6-15.3174.6530000114S293S293-T295 PolarHBondContact O-N 3Å
296H37.5Very low39.3Very low135 Ų135102.6 Ų102.663%0.62556%0.562SS**SBendtrans-147122.7174-70.7-65.9000112.9L298H296-L298 PolarHBondContact O-N 3.07Å
297S29.8Very low38.9Very low115 Ų115109.5 Ų109.580%0.80459%0.594SS**  trans-60.9116.1175.248.80000111.7N299S297-N299 PolarHBondContact O-N 2.88Å
298L36.8Very low38.7Very low127 Ų127108.1 Ų108.167%0.66560%0.599SS**  trans-84.4103.8167.5-82.1149.8000108.7H296 A300H296-L298 PolarHBondContact O-N 3.07Å; L298-A300 VanDerWaalsContact C-N 3.32Å; L298-A300 PolarHBondContact O-N 3.14Å
299N30Very low38.7Very low155 Ų155109.7 Ų109.783%0.82961%0.606SS**  trans-71.693.7161-79.9-10.6000107.6S297 A301S297-N299 PolarHBondContact O-N 2.88Å; N299-A301 PolarHBondContact O-N 3.35Å
300A35.8Very low38.6Very low103 Ų103115.3 Ų115.385%0.85163%0.626SS**  trans-77.273.5176.400000110.4L298L298-A300 VanDerWaalsContact C-N 3.32Å; L298-A300 PolarHBondContact O-N 3.14Å
301A33Very low38.6Very low88 Ų88117.3 Ų117.373%0.72764%0.638SS**  trans-159.762164.300000109.6N299N299-A301 PolarHBondContact O-N 3.35Å
302Q33.3Very low38.9Very low192 Ų192116.9 Ų116.990%0.89764%0.635SS**SBendtrans-157.7131.3159.9-111153.38.700111
303Q34.8Very low39Very low178 Ų178110.9 Ų110.983%0.83262%0.618SS**  trans-40.3146.8174.8-93.4160.8-51.900113.3T305Q303-T305 PolarHBondContact O-N 3.18Å; Q303-T305 PolarHBondContact O-OG1 3.49Å
304V43.3Very low39.2Very low143 Ų143117.8 Ų117.887%0.86764%0.638SS**  trans-32.694.3167.5-177.40000111.6
305T38.5Very low39.8Very low102 Ų102117.2 Ų117.263%0.62664%0.635SS**  trans-128.3145.5168.4-26.90000108Q303 E307 A308Q303-T305 PolarHBondContact O-N 3.18Å; Q303-T305 PolarHBondContact O-OG1 3.49Å; T305-E307 PolarHBondContact O-N 3.01Å; T305-A308 PolarHBondContact O-N 3.38Å
306G41.6Very low40.3Very low46 Ų46114.2 Ų114.247%0.47462%0.615SS.*Hα-helixtrans-57-8.3-165.300000117.6R310G306-R310 PolarHBondContact O-N 2.88Å
307E39.2Very low41Very low150 Ų150110.9 Ų110.970%0.70161%0.607SS**Hα-helixtrans-77.3-34173.8-67.5-173.9153.700113T305 R310 L311T305-E307 PolarHBondContact O-N 3.01Å; E307-R310 PolarHBondContact O-N 3.39Å; E307-L311 PolarHBondContact O-N 3.46Å; E307-L311 VanDerWaalsContact O-N 3.16Å
308A42Very low42Very low60 Ų60111.3 Ų111.350%0.49659%0.594SS.*Hα-helixtrans-66.2-38.7173.900000111.6T305 L311 L312T305-A308 PolarHBondContact O-N 3.38Å; A308-L311 PolarHBondContact O-N 2.87Å; A308-L312 PolarHBondContact O-N 3.08Å
309K42.9Very low42.7Very low110 Ų110107 Ų10748%0.47857%0.569SS.*Hα-helixtrans-61.7-41.2172.7-85.1-170.7169.5-168.80112.4L311 L312 L313K309-L311 PolarHBondContact O-N 3.35Å; K309-L312 PolarHBondContact O-N 3.47Å; K309-L313 WeakPolarHBondContact O-CD1 3.47Å; K309-L313 VanDerWaalsContact O-CG 3.3Å; K309-L313 WeakPolarHBondContact O-CG 3.45Å; K309-L313 PolarHBondContact O-N 3.18Å
310R43.3Very low43.7Very low183 Ų183101.3 Ų101.369%0.69154%0.541SS*.Hα-helixtrans-68.8-32.8-179-138.8-178-74.6169.7-4.3112.6G306 E307 R314G306-R310 PolarHBondContact O-N 2.88Å; E307-R310 PolarHBondContact O-N 3.39Å; R310-R314 PolarHBondContact O-N 3.25Å
311L45.5Very low44.4Very low81 Ų81102.5 Ų102.542%0.42453%0.529SS..Hα-helixtrans-69.9-45.1171-88.1154000111.5E307 A308 K309 L313 R314 F315E307-L311 PolarHBondContact O-N 3.46Å; E307-L311 VanDerWaalsContact O-N 3.16Å; A308-L311 PolarHBondContact O-N 2.87Å; K309-L311 PolarHBondContact O-N 3.35Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.41Å; L311-R314 WeakPolarHBondContact O-CB 3.47Å; L311-R314 PolarHBondContact O-N 2.9Å; L311-F315 VanDerWaalsContact O-CD2 3.26Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 2.77Å
312L45Very low45.6Very low63 Ų63100.1 Ų100.133%0.3351%0.506SS..Hα-helixtrans-58.3-42.5177-143.685.1000112.2E88 A308 K309 R314 F315 I316E88-L312 HydrophobicContact CB-CD2 4.38Å; E88-L312 WeakPolarHBondContact O-CD2 3.47Å; A308-L312 PolarHBondContact O-N 3.08Å; K309-L312 PolarHBondContact O-N 3.47Å; L312-R314 VanDerWaalsContact C-N 3.28Å; L312-R314 PolarHBondContact O-N 3.24Å; L312-F315 WeakPolarHBondContact O-CB 3.01Å; L312-F315 PolarHBondContact O-N 2.76Å; L312-F315 VanDerWaalsContact O-N 3.15Å; L312-I316 HydrophobicContact CG-CD1 4.43Å; L312-I316 WeakPolarHBondContact O-CD1 3.36Å; L312-I316 PolarHBondContact O-N 3.02Å
313L44.1Very low47.1Very low78 Ų7896.6 Ų96.641%0.40849%0.489SS..Hα-helixtrans-61.1-33.3174.6-73.9163.8000112.9F107 K309 L311F107-L313 HydrophobicContact CE1-CD2 4.4Å; F107-L313 HydrophobicContact CZ-CD2 3.97Å; K309-L313 WeakPolarHBondContact O-CD1 3.47Å; K309-L313 VanDerWaalsContact O-CG 3.3Å; K309-L313 WeakPolarHBondContact O-CG 3.45Å; K309-L313 PolarHBondContact O-N 3.18Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.41Å
314R49.2Very low48.9Very low181 Ų18189 Ų8968%0.68345%0.453SS*.Hα-helixtrans-72.4-39.9174-123.7177.8-174.2179.61.5111.6R310 L311 L312 I316 S317 F318R310-R314 PolarHBondContact O-N 3.25Å; L311-R314 WeakPolarHBondContact O-CB 3.47Å; L311-R314 PolarHBondContact O-N 2.9Å; L312-R314 VanDerWaalsContact C-N 3.28Å; L312-R314 PolarHBondContact O-N 3.24Å; R314-I316 VanDerWaalsContact C-N 3.28Å; R314-I316 PolarHBondContact O-N 3.4Å; R314-S317 PolarHBondContact O-N 3.17Å; R314-S317 PolarHBondContact O-OG 3.41Å; R314-F318 VanDerWaalsContact O-CD2 3.23Å; R314-F318 WeakPolarHBondContact O-CD2 3.49Å
315F50.8Low50.2Low72 Ų7288 Ų8832%0.31644%0.443SS..Hα-helixtrans-57.4-38.1176.1-92.3-81.2000112.9L311 L312 F318L311-F315 VanDerWaalsContact O-CD2 3.26Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 2.77Å; L312-F315 WeakPolarHBondContact O-CB 3.01Å; L312-F315 PolarHBondContact O-N 2.76Å; L312-F315 VanDerWaalsContact O-N 3.15Å; F315-F318 PolarHBondContact O-N 2.68Å
316I50.9Low51.8Low36 Ų3684 Ų8419%0.18542%0.421CS..Hα-helixtrans-75.7-30.3-177.9-69.1133.2000112.5F107 L312 R314 F318 Y319 P320F107-I316 HydrophobicContact CD1-CB 4.09Å; F107-I316 HydrophobicContact CD1-CD1 3.37Å; F107-I316 HydrophobicContact CD1-CG1 3.75Å; F107-I316 HydrophobicContact CD1-CG2 3.62Å; F107-I316 HydrophobicContact CE1-CB 3.95Å; F107-I316 HydrophobicContact CE1-CD1 3.34Å; F107-I316 HydrophobicContact CE1-CG1 3.93Å; F107-I316 HydrophobicContact CE1-CG2 3.67Å; L312-I316 HydrophobicContact CG-CD1 4.43Å; L312-I316 WeakPolarHBondContact O-CD1 3.36Å; L312-I316 PolarHBondContact O-N 3.02Å; R314-I316 VanDerWaalsContact C-N 3.28Å; R314-I316 PolarHBondContact O-N 3.4Å; I316-F318 PolarHBondContact O-N 3.24Å; I316-F318 VanDerWaalsContact O-N 3.11Å; I316-Y319 PolarHBondContact O-N 3.37Å; I316-P320 WeakPolarHBondContact O-CD 3.18Å
317S50.5Low53.2Low65 Ų6583.3 Ų83.346%0.45541%0.407SS..Hα-helixtrans-62.9-16173.6720000114R314R314-S317 PolarHBondContact O-N 3.17Å; R314-S317 PolarHBondContact O-OG 3.41Å
318F51.7Low55Low125 Ų12576.6 Ų76.655%0.54838%0.376SS..Hα-helixtrans-88.3-26.2177.2-78.7-74.7000114.3R314 F315 I316 Q321R314-F318 VanDerWaalsContact O-CD2 3.23Å; R314-F318 WeakPolarHBondContact O-CD2 3.49Å; F315-F318 PolarHBondContact O-N 2.68Å; I316-F318 PolarHBondContact O-N 3.24Å; I316-F318 VanDerWaalsContact O-N 3.11Å; F318-Q321 WeakPolarHBondContact O-CB 3.16Å; F318-Q321 PolarHBondContact O-N 2.98Å; F318-Q321 VanDerWaalsContact O-N 3.14Å
319Y51.7Low56.6Low35 Ų3575.1 Ų75.114%0.13737%0.367CS..G310 helixtrans-65.1-40.9-174.5-136.5-56.9000114.1I92 I109 Y289 I316 Q321 T322 I333I92-Y319 WeakPolarHBondContact CD1-OH 3.08Å; I109-Y319 HydrophobicContact CD1-CD1 2.87Å; I109-Y319 HydrophobicContact CD1-CD2 3.71Å; I109-Y319 HydrophobicContact CD1-CE1 2.99Å; I109-Y319 HydrophobicContact CD1-CE2 3.8Å; I109-Y319 HydrophobicContact CD1-CG 3.22Å; I109-Y319 VanDerWaalsContact CD1-CZ 3.45Å; I109-Y319 HydrophobicContact CG1-CD1 4.33Å; I109-Y319 HydrophobicContact CG1-CE1 4.35Å; I109-Y319 HydrophobicContact CG2-CE1 4.45Å; Y289-Y319 AromaticContact CD2-CE2 3.65Å; Y289-Y319 HydrophobicContact CD2-CE2 3.65Å; Y289-Y319 HydrophobicContact CE2-CE2 4.05Å; I316-Y319 PolarHBondContact O-N 3.37Å; Y319-Q321 PolarHBondContact O-N 3.37Å; Y319-T322 PolarHBondContact O-OG1 3Å; Y319-I333 HydrophobicContact CE1-CD1 4.44Å
320P50.8Low58.3Low37 Ų3774.1 Ų74.124%0.2436%0.364CS..G310 helixtrans-74-1.6175.73.67.1000113.9I316 K335I316-P320 WeakPolarHBondContact O-CD 3.18Å; P320-K335 HydrophobicContact CB-CB 4.15Å; P320-K335 HydrophobicContact CB-CG 4.04Å; P320-K335 WeakPolarHBondContact O-CG 3.18Å
321Q50.8Low59.9Low128 Ų12865.7 Ų65.760%0.59833%0.332SS*.G310 helixtrans-93.6-0178.4-61.1-168.5-1.900113.9F318 Y319F318-Q321 WeakPolarHBondContact O-CB 3.16Å; F318-Q321 PolarHBondContact O-N 2.98Å; F318-Q321 VanDerWaalsContact O-N 3.14Å; Y319-Q321 PolarHBondContact O-N 3.37Å
322T56.8Low61.4Low38 Ų3862.3 Ų62.323%0.23332%0.316CS..  trans-98.9112.6-169.657.70000112.2Y319 W324Y319-T322 PolarHBondContact O-OG1 3Å; T322-W324 VanDerWaalsContact O-CE3 3.26Å; T322-W324 WeakPolarHBondContact O-CZ3 3.37Å; T322-W324 WeakPolarHBondContact OG1-CZ3 3.48Å
323Q66.5Low62.9Low117 Ų11760 Ų6055%0.54730%0.304SS..EExtended strand (participates in β ladder)trans-85.5137.2150.9-70.1179.3-1900108.3K288 I331 A332K288-Q323 PolarHBondContact NZ-O 2.96Å; Q323-I331 WeakPolarHBondContact CA-O 3.18Å; Q323-A332 HydrophobicContact CG-CB 4.04Å
324W71.3Confident64.4Low18 Ų1858.8 Ų58.87%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-153.1152171.973.798.1000113.2L111 K288 T322 I331 I333L111-W324 HydrophobicContact CD2-CZ2 4.42Å; K288-W324 HydrophobicContact CB-CG 4.48Å; K288-W324 HydrophobicContact CD-CB 3.29Å; K288-W324 HydrophobicContact CD-CD2 3.97Å; K288-W324 HydrophobicContact CD-CE3 4.37Å; K288-W324 HydrophobicContact CD-CG 3.55Å; K288-W324 VanDerWaalsContact NZ-CB 3.25Å; T322-W324 VanDerWaalsContact O-CE3 3.26Å; T322-W324 WeakPolarHBondContact O-CZ3 3.37Å; T322-W324 WeakPolarHBondContact OG1-CZ3 3.48Å; W324-I331 HydrophobicContact CD2-CB 4.02Å; W324-I331 HydrophobicContact CD2-CG2 4.32Å; W324-I331 HydrophobicContact CE3-CB 4.33Å; W324-I331 HydrophobicContact CE3-CG2 4.31Å; W324-I331 HydrophobicContact CH2-CB 4.36Å; W324-I331 HydrophobicContact CH2-CG2 3.61Å; W324-I331 HydrophobicContact CZ2-CB 4.03Å; W324-I331 HydrophobicContact CZ2-CD1 4.06Å; W324-I331 HydrophobicContact CZ2-CG2 3.58Å; W324-I331 HydrophobicContact CZ3-CB 4.48Å; W324-I331 HydrophobicContact CZ3-CG2 3.97Å; W324-I331 PolarHBondContact N-O 3.39Å; W324-I331 VanDerWaalsContact N-O 3.1Å; W324-I331 PolarHBondContact O-N 3.25Å; W324-I333 HydrophobicContact CH2-CD1 3.51Å; W324-I333 HydrophobicContact CH2-CG1 4.27Å; W324-I333 HydrophobicContact CZ3-CD1 3.81Å; W324-I333 HydrophobicContact CZ3-CG1 4.35Å
325D71.6Confident65.2Low123 Ų12357.1 Ų57.166%0.65830%0.296SS*.EExtended strand (participates in β ladder)trans-89.3119.4174.6-60.7-30.6000109.5
326G70.7Confident66.1Low17 Ų1759 Ų5918%0.17531%0.313CS..EExtended strand (participates in β ladder)trans-113.4-172.1170.300000111.7N284 T328 G329N284-G326 VanDerWaalsContact CG-CA 3.5Å; N284-G326 WeakPolarHBondContact ND2-CA 3.49Å; N284-G326 WeakPolarHBondContact OD1-CA 3.49Å; G326-T328 PolarHBondContact O-N 2.85Å; G326-G329 PolarHBondContact N-O 3.19Å; G326-G329 PolarHBondContact O-N 2.85Å; G326-G329 VanDerWaalsContact O-N 3.1Å
327L72.9Confident67.2Low33 Ų3360 Ų6017%0.17332%0.319CS..THydrogen-bonded Turntrans-53.8-32.3170.4-58.1-177.8000114L244 V251 V254 N283 N284 G329L244-L327 HydrophobicContact CD1-CB 3.74Å; L244-L327 WeakPolarHBondContact CD1-O 3.44Å; V251-L327 HydrophobicContact CB-CD2 4.44Å; V251-L327 HydrophobicContact CG1-CD2 4.44Å; V251-L327 HydrophobicContact CG2-CB 4.41Å; V251-L327 HydrophobicContact CG2-CD2 3.95Å; V254-L327 HydrophobicContact CB-CD2 4.35Å; V254-L327 HydrophobicContact CG1-CD1 4.23Å; V254-L327 HydrophobicContact CG1-CD2 4.37Å; V254-L327 HydrophobicContact CG2-CD2 4.28Å; N283-L327 HydrophobicContact CB-CD1 3.61Å; N284-L327 VanDerWaalsContact CG-N 3.27Å; N284-L327 PolarHBondContact ND2-N 3.19Å; N284-L327 PolarHBondContact OD1-N 2.73Å; L327-G329 VanDerWaalsContact C-N 3.26Å; L327-G329 PolarHBondContact O-N 3.16Å
328T75.1Confident68.3Low9 Ų957.6 Ų57.66%0.05530%0.304CS..THydrogen-bonded Turntrans-90.825.3178.759.80000112.8L243 I280 N284 G326 R340L243-T328 HydrophobicContact CD2-CG2 3.9Å; L243-T328 HydrophobicContact CG-CG2 3.83Å; L243-T328 WeakPolarHBondContact O-CA 3.39Å; I280-T328 HydrophobicContact CG2-CG2 3.48Å; I280-T328 VanDerWaalsContact CG2-CG2 3.48Å; N284-T328 PolarHBondContact ND2-N 3.32Å; G326-T328 PolarHBondContact O-N 2.85Å; T328-R340 PolarHBondContact O-NH2 2.88Å; T328-R340 VanDerWaalsContact O-NH2 3.1Å; T328-R340 PolarHBondContact OG1-NH1 3.31Å; T328-R340 PolarHBondContact OG1-NH2 2.8Å
329G77.1Confident69.6Low29 Ų2953.3 Ų53.330%0.29929%0.287SS..EExtended strand (participates in β ladder)trans72.1-150.7-171.600000113.1G326 L327 I331G326-G329 PolarHBondContact N-O 3.19Å; G326-G329 PolarHBondContact O-N 2.85Å; G326-G329 VanDerWaalsContact O-N 3.1Å; L327-G329 VanDerWaalsContact C-N 3.26Å; L327-G329 PolarHBondContact O-N 3.16Å; G329-I331 PolarHBondContact O-N 3.23Å
330Q77.7Confident71Confident89 Ų8951.9 Ų51.942%0.41628%0.281SS..EExtended strand (participates in β ladder)trans-68.1130.7-178.9-162.8178.110.300110.5R340Q330-R340 PolarHBondContact O-NH2 3.14Å
331I76.6Confident72.3Confident5 Ų553.1 Ų53.13%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-113.5115.8175.1-59.3169.8000107.2N284 Q323 W324 G329 R340N284-I331 HydrophobicContact CB-CD1 4.23Å; Q323-I331 WeakPolarHBondContact CA-O 3.18Å; W324-I331 HydrophobicContact CD2-CB 4.02Å; W324-I331 HydrophobicContact CD2-CG2 4.32Å; W324-I331 HydrophobicContact CE3-CB 4.33Å; W324-I331 HydrophobicContact CE3-CG2 4.31Å; W324-I331 HydrophobicContact CH2-CB 4.36Å; W324-I331 HydrophobicContact CH2-CG2 3.61Å; W324-I331 HydrophobicContact CZ2-CB 4.03Å; W324-I331 HydrophobicContact CZ2-CD1 4.06Å; W324-I331 HydrophobicContact CZ2-CG2 3.58Å; W324-I331 HydrophobicContact CZ3-CB 4.48Å; W324-I331 HydrophobicContact CZ3-CG2 3.97Å; W324-I331 PolarHBondContact N-O 3.39Å; W324-I331 VanDerWaalsContact N-O 3.1Å; W324-I331 PolarHBondContact O-N 3.25Å; G329-I331 PolarHBondContact O-N 3.23Å; I331-R340 HydrophobicContact CG2-CG 4.48Å
332A77.8Confident73.8Confident11 Ų1150.9 Ų50.99%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-122.6125.417200000109.5Q323 E342Q323-A332 HydrophobicContact CG-CB 4.04Å; A332-E342 HydrophobicContact CB-CB 4.2Å
333I76.8Confident75.1Confident15 Ų1549.2 Ų49.28%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-101.9132.9179.4-64.3166.7000108.8I109 Y319 W324 G338I109-I333 HydrophobicContact CD1-CD1 4.44Å; I109-I333 HydrophobicContact CG2-CD1 3.41Å; I109-I333 VanDerWaalsContact CG2-CD1 3.41Å; I109-I333 HydrophobicContact CG2-CG1 4.43Å; Y319-I333 HydrophobicContact CE1-CD1 4.44Å; W324-I333 HydrophobicContact CH2-CD1 3.51Å; W324-I333 HydrophobicContact CH2-CG1 4.27Å; W324-I333 HydrophobicContact CZ3-CD1 3.81Å; W324-I333 HydrophobicContact CZ3-CG1 4.35Å; I333-G338 VanDerWaalsContact CG2-C 3.47Å
334N74.3Confident76.1Confident51 Ų5146.9 Ų46.927%0.27325%0.253SS..  trans-69.1135.8176.6-172.318.5000111.2T336 D337 G338 L339 K341N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact ND2-OG1 2.82Å; N334-T336 VanDerWaalsContact ND2-OG1 3.09Å; N334-T336 PolarHBondContact O-N 3.31Å; N334-D337 PolarHBondContact ND2-OD2 3.39Å; N334-D337 VanDerWaalsContact ND2-OD2 3.1Å; N334-G338 PolarHBondContact O-N 3.04Å; N334-G338 VanDerWaalsContact O-N 3.09Å; N334-L339 PolarHBondContact N-O 2.59Å; N334-K341 HydrophobicContact CB-CD 4.2Å; N334-K341 HydrophobicContact CB-CG 4.16Å; N334-K341 PolarHBondContact ND2-NZ 3.12Å
335K67.1Low76.9Confident147 Ų14746 Ų4664%0.63925%0.249SC*.THydrogen-bonded Turntrans-66.2-32.6-172.9-65.3-178.5179.2175.60114.1P320P320-K335 HydrophobicContact CB-CB 4.15Å; P320-K335 HydrophobicContact CB-CG 4.04Å; P320-K335 WeakPolarHBondContact O-CG 3.18Å
336T69.9Low77.7Confident111 Ų11140.7 Ų40.768%0.68122%0.221SC*.THydrogen-bonded Turntrans-85.7-32.6-174.156.90000112.9N334N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact ND2-OG1 2.82Å; N334-T336 VanDerWaalsContact ND2-OG1 3.09Å; N334-T336 PolarHBondContact O-N 3.31Å
337D73.3Confident78.7Confident58 Ų5840 Ų4031%0.3121%0.213SC..THydrogen-bonded Turntrans-119.5-9.5-164.7-44.1-24.5000113.4Y108 N334 L339 K341Y108-D337 PolarHBondContact OH-O 2.77Å; N334-D337 PolarHBondContact ND2-OD2 3.39Å; N334-D337 VanDerWaalsContact ND2-OD2 3.1Å; D337-L339 HydrophobicContact CB-CD1 4.24Å; D337-L339 HydrophobicContact CB-CG 4.14Å; D337-L339 PolarHBondContact O-N 2.8Å; D337-K341 WeakPolarHBondContact OD2-CE 3.36Å; D337-K341 IonicContact OD2-NZ 2.72Å; D337-K341 PolarHBondContact OD2-NZ 3.32Å
338G74.2Confident79.4Confident13 Ų1338.5 Ų38.513%0.13421%0.205CC..  trans67.915.3-178.600000114.7I109 N110 I333 N334I109-G338 WeakPolarHBondContact CA-O 3.26Å; N110-G338 PolarHBondContact N-O 2.98Å; I333-G338 VanDerWaalsContact CG2-C 3.47Å; N334-G338 PolarHBondContact O-N 3.04Å; N334-G338 VanDerWaalsContact O-N 3.09Å
339L78.6Confident80.1Confident36 Ų3638.3 Ų38.319%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-104.1147.2-176.4-59.2178.7000112.7Y108 N110 N334 D337 K341Y108-L339 HydrophobicContact CE2-CD2 4.11Å; N110-L339 HydrophobicContact CB-CD2 3.76Å; N334-L339 PolarHBondContact N-O 2.59Å; D337-L339 HydrophobicContact CB-CD1 4.24Å; D337-L339 HydrophobicContact CB-CG 4.14Å; D337-L339 PolarHBondContact O-N 2.8Å; L339-K341 PolarHBondContact O-N 2.88Å
340R80.5Confident80.6Confident4 Ų437.4 Ų37.42%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-80.897.4171.4-173.6-177.4-178-175.4-1.8111E114 T328 Q330 I331 F343E114-R340 PolarHBondContact N-O 2.96Å; E114-R340 VanDerWaalsContact N-O 3.11Å; T328-R340 PolarHBondContact O-NH2 2.88Å; T328-R340 VanDerWaalsContact O-NH2 3.1Å; T328-R340 PolarHBondContact OG1-NH1 3.31Å; T328-R340 PolarHBondContact OG1-NH2 2.8Å; Q330-R340 PolarHBondContact O-NH2 3.14Å; I331-R340 HydrophobicContact CG2-CG 4.48Å; R340-F343 HydrophobicContact CG-CD1 4.44Å
341K78.9Confident80.9Confident63 Ų6337.4 Ų37.427%0.27419%0.192SC..EExtended strand (participates in β ladder)trans-93.4-34179.6-58-159.8173.8171.50113.7E114 N334 D337 L339 F343E114-K341 VanDerWaalsContact OE2-CD 3.27Å; E114-K341 WeakPolarHBondContact OE2-CD 3.45Å; E114-K341 VanDerWaalsContact OE2-CE 3.25Å; E114-K341 WeakPolarHBondContact OE2-CE 3.39Å; E114-K341 WeakPolarHBondContact OE2-CG 3.32Å; N334-K341 HydrophobicContact CB-CD 4.2Å; N334-K341 HydrophobicContact CB-CG 4.16Å; N334-K341 PolarHBondContact ND2-NZ 3.12Å; D337-K341 WeakPolarHBondContact OD2-CE 3.36Å; D337-K341 IonicContact OD2-NZ 2.72Å; D337-K341 PolarHBondContact OD2-NZ 3.32Å; L339-K341 PolarHBondContact O-N 2.88Å; K341-F343 WeakPolarHBondContact O-CD1 2.84Å; K341-F343 WeakPolarHBondContact O-CE1 3.13Å
342E82Confident81.1Confident81 Ų8142.2 Ų42.238%0.37921%0.214SC..EExtended strand (participates in β ladder)trans-101.1121-179.8-66.2178.217300110A332 Q364A332-E342 HydrophobicContact CB-CB 4.2Å; E342-Q364 PolarHBondContact OE1-NE2 2.84Å; E342-Q364 VanDerWaalsContact OE1-NE2 3.17Å
343F84.7Confident81.1Confident4 Ų448.4 Ų48.42%0.01825%0.246CC..  trans-165154.317955.4-83000109.1P113 I118 L243 R340 K341 L345 W361P113-F343 HydrophobicContact CB-CD1 3.72Å; P113-F343 HydrophobicContact CB-CD2 3.9Å; P113-F343 HydrophobicContact CB-CE1 3.43Å; P113-F343 VanDerWaalsContact CB-CE1 3.43Å; P113-F343 HydrophobicContact CB-CE2 3.59Å; P113-F343 HydrophobicContact CB-CG 3.96Å; P113-F343 HydrophobicContact CB-CZ 3.36Å; P113-F343 HydrophobicContact CG-CD2 4.25Å; P113-F343 HydrophobicContact CG-CE2 4.28Å; P113-F343 HydrophobicContact CG-CG 4.39Å; P113-F343 HydrophobicContact CG-CZ 4.48Å; I118-F343 HydrophobicContact CG1-CE2 4.39Å; I118-F343 HydrophobicContact CG1-CZ 4.15Å; L243-F343 HydrophobicContact CD1-CD2 4.26Å; R340-F343 HydrophobicContact CG-CD1 4.44Å; K341-F343 WeakPolarHBondContact O-CD1 2.84Å; K341-F343 WeakPolarHBondContact O-CE1 3.13Å; F343-L345 HydrophobicContact CD2-CD1 4.44Å; F343-L345 HydrophobicContact CD2-CD2 3.98Å; F343-L345 HydrophobicContact CD2-CG 3.77Å; F343-L345 HydrophobicContact CE2-CD1 3.72Å; F343-L345 HydrophobicContact CE2-CD2 3.9Å; F343-L345 HydrophobicContact CE2-CG 3.56Å; F343-W361 HydrophobicContact CE2-CZ3 4.06Å; F343-W361 HydrophobicContact CZ-CZ3 4.16Å
344D86.5Confident81.3Confident67 Ų6748.4 Ų48.436%0.35825%0.249SC..EExtended strand (participates in β ladder)trans-97.2136.4172-58.5-40.6000109.4I360 W361 N362D344-I360 HydrophobicContact CB-CG2 4.22Å; D344-W361 WeakPolarHBondContact CA-O 3.22Å; D344-N362 PolarHBondContact OD1-ND2 3.01Å
345L88.4Confident81.7Confident0 Ų048.6 Ų48.60%025%0.25CC..EExtended strand (participates in β ladder)trans-111.8122.7170.8-71.2176000109.1A121 L221 F241 L243 F343 I360 W361A121-L345 HydrophobicContact CB-CD1 4.03Å; L221-L345 HydrophobicContact CD2-CD2 3.72Å; F241-L345 HydrophobicContact CD1-CB 4.31Å; F241-L345 HydrophobicContact CD1-CD1 4.22Å; F241-L345 HydrophobicContact CE1-CD1 4.33Å; F241-L345 HydrophobicContact CG-CD1 4.33Å; L243-L345 HydrophobicContact CB-CD2 4.36Å; L243-L345 HydrophobicContact CD1-CD2 3.93Å; F343-L345 HydrophobicContact CD2-CD1 4.44Å; F343-L345 HydrophobicContact CD2-CD2 3.98Å; F343-L345 HydrophobicContact CD2-CG 3.77Å; F343-L345 HydrophobicContact CE2-CD1 3.72Å; F343-L345 HydrophobicContact CE2-CD2 3.9Å; F343-L345 HydrophobicContact CE2-CG 3.56Å; L345-I360 CarbonylContact O-C 3.45Å; L345-I360 WeakPolarHBondContact O-CA 3.34Å; L345-W361 HydrophobicContact CB-CB 4.26Å; L345-W361 HydrophobicContact CB-CE3 4.32Å; L345-W361 HydrophobicContact CD1-CE3 3.84Å; L345-W361 HydrophobicContact CD1-CZ3 4.26Å; L345-W361 HydrophobicContact CG-CE3 4.18Å; L345-W361 PolarHBondContact N-O 3.43Å; L345-W361 PolarHBondContact O-N 3.36Å
346D88.9Confident82.6Confident11 Ų1145.8 Ų45.86%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-75.8133.7166.7-70.2-14.3000108.8F241 R242 K357F241-D346 WeakPolarHBondContact CA-O 3.42Å; R242-D346 HydrophobicContact CB-CB 4.07Å; R242-D346 IonicContact CZ-OD2 3.32Å; R242-D346 PolarHBondContact N-O 3.3Å; R242-D346 IonicContact NE-OD2 2.94Å; R242-D346 PolarHBondContact NE-OD2 2.76Å; R242-D346 IonicContact NH2-OD2 4Å; R242-D346 PolarHBondContact NH2-OD2 3Å; R242-D346 WeakPolarHBondContact O-CB 3.42Å; R242-D346 PolarHBondContact O-N 3.43Å; D346-K357 HydrophobicContact CB-CD 4.23Å; D346-K357 HydrophobicContact CB-CG 4.41Å; D346-K357 WeakPolarHBondContact OD1-CE 3.48Å; D346-K357 IonicContact OD1-NZ 2.69Å; D346-K357 PolarHBondContact OD1-NZ 2.86Å; D346-K357 IonicContact OD2-NZ 3.85Å; D346-K357 PolarHBondContact OD2-NZ 3.39Å
347V90.5Very high83.4Confident2 Ų243.7 Ų43.71%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-94.1120.8169-172.80000107.5I125 F241 I358 G359 L367 L369I125-V347 HydrophobicContact CD1-CG1 3.97Å; I125-V347 HydrophobicContact CD1-CG2 4.08Å; F241-V347 HydrophobicContact CD1-CG2 4.26Å; F241-V347 HydrophobicContact CE1-CG2 4.09Å; V347-I358 HydrophobicContact CB-CG1 4.05Å; V347-I358 HydrophobicContact CG1-CD1 3.77Å; V347-I358 HydrophobicContact CG1-CG1 3.78Å; V347-I358 VanDerWaalsContact O-CG1 3.28Å; V347-I358 WeakPolarHBondContact O-CG1 3.49Å; V347-I358 PolarHBondContact O-N 3.17Å; V347-G359 PolarHBondContact N-O 3.2Å; V347-G359 PolarHBondContact O-N 2.87Å; V347-L367 HydrophobicContact CG2-CD1 3.72Å; V347-L369 HydrophobicContact CB-CD2 4.4Å
348I88.8Confident84.1Confident2 Ų242 Ų421%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-112.8145.7179.858.8168.7000110.4L223 F224 T239 G240 R242 L355 E356 K357L223-I348 HydrophobicContact CB-CD1 4.43Å; L223-I348 HydrophobicContact CD2-CD1 4.28Å; L223-I348 HydrophobicContact CD2-CG1 4.48Å; F224-I348 HydrophobicContact CB-CD1 4.49Å; T239-I348 WeakPolarHBondContact CA-O 3.41Å; G240-I348 PolarHBondContact N-O 3.22Å; G240-I348 WeakPolarHBondContact O-CG1 3.44Å; G240-I348 PolarHBondContact O-N 3.3Å; R242-I348 HydrophobicContact CB-CD1 4.04Å; R242-I348 HydrophobicContact CB-CG1 4.24Å; R242-I348 HydrophobicContact CB-CG2 3.85Å; I348-L355 HydrophobicContact CD1-CD1 4.28Å; I348-L355 HydrophobicContact CD1-CD2 4.19Å; I348-E356 CarbonylContact C-O 3.56Å; I348-E356 VanDerWaalsContact CA-O 3.25Å; I348-E356 WeakPolarHBondContact CA-O 3.26Å; I348-K357 HydrophobicContact CG2-CB 4.46Å
349S89.6Confident84.7Confident5 Ų541.4 Ų41.44%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-130.6143.1177.8-171.40000110.4M238 E356M238-S349 CarbonylContact O-C 3.58Å; M238-S349 VanDerWaalsContact O-CA 3.31Å; M238-S349 WeakPolarHBondContact O-CA 3.47Å; M238-S349 PolarHBondContact O-OG 3.37Å; S349-E356 PolarHBondContact N-O 2.89Å; S349-E356 PolarHBondContact O-N 2.97Å
350L87.5Confident85.3Confident11 Ų1143 Ų436%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-78.5122.6173.2-168.566.7000110L228 R232 M238 L355L228-L350 HydrophobicContact CB-CD1 3.9Å; L228-L350 HydrophobicContact CB-CD2 4.35Å; L228-L350 HydrophobicContact CD1-CD1 4.01Å; R232-L350 HydrophobicContact CG-CD1 3.81Å; R232-L350 HydrophobicContact CG-CD2 4.38Å; R232-L350 HydrophobicContact CG-CG 4.22Å; M238-L350 HydrophobicContact CB-CB 3.86Å; M238-L350 HydrophobicContact CB-CD2 4.24Å; M238-L350 HydrophobicContact CG-CD2 4.28Å; M238-L350 PolarHBondContact O-N 3.09Å; M238-L350 HydrophobicContact SD-CD2 3.6Å; M238-L350 VanDerWaalsContact SD-CD2 3.6Å; L350-L355 HydrophobicContact CB-CD2 4.2Å; L350-L355 HydrophobicContact CD1-CD2 3.96Å; L350-L355 HydrophobicContact CD1-CG 4.06Å
351K84.7Confident85.8Confident89 Ų8943 Ų4339%0.38721%0.213SC..  trans-115.4171.9171-60.4-60.8-175.41770109.8D353 G354 E356K351-D353 PolarHBondContact O-N 3.38Å; K351-G354 WeakPolarHBondContact CA-O 3.49Å; K351-G354 PolarHBondContact N-O 3.15Å; K351-G354 PolarHBondContact O-N 3.05Å; K351-G354 VanDerWaalsContact O-N 3.13Å; K351-E356 HydrophobicContact CG-CB 4.39Å; K351-E356 HydrophobicContact CG-CG 4.27Å
352E80.1Confident86.2Confident105 Ų10541.8 Ų41.849%0.49121%0.209SC..SBendtrans-61.7-34.8177.5-65.4-176.9-176.500111.3R387E352-R387 IonicContact OE1-NH2 3.93Å; E352-R387 PolarHBondContact OE1-NH2 2.64Å; E352-R387 VanDerWaalsContact OE1-NH2 3.09Å
353D77.6Confident86.2Confident142 Ų14239.7 Ų39.776%0.75920%0.203SC*.SBendtrans-73.9-22.9176-65.7-36000113.5K351K351-D353 PolarHBondContact O-N 3.38Å
354G81.4Confident86Confident14 Ų1446.4 Ų46.414%0.14424%0.235CC..  trans143.5-163.9-177.900000113.9K351 E356K351-G354 WeakPolarHBondContact CA-O 3.49Å; K351-G354 PolarHBondContact N-O 3.15Å; K351-G354 PolarHBondContact O-N 3.05Å; K351-G354 VanDerWaalsContact O-N 3.13Å; G354-E356 PolarHBondContact O-N 2.75Å
355L82.8Confident85.8Confident56 Ų5648.5 Ų48.529%0.29325%0.25SS..EExtended strand (participates in β ladder)trans-78.6116.9173.6-78.7171000110.1F224 L228 I348 L350F224-L355 HydrophobicContact CB-CD1 4.38Å; L228-L355 HydrophobicContact CD1-CD1 3.83Å; L228-L355 HydrophobicContact CD1-CD2 3.77Å; L228-L355 HydrophobicContact CD1-CG 3.95Å; I348-L355 HydrophobicContact CD1-CD1 4.28Å; I348-L355 HydrophobicContact CD1-CD2 4.19Å; L350-L355 HydrophobicContact CB-CD2 4.2Å; L350-L355 HydrophobicContact CD1-CD2 3.96Å; L350-L355 HydrophobicContact CD1-CG 4.06Å
356E85.1Confident85.6Confident88 Ų8849.3 Ų49.341%0.41126%0.258SS..EExtended strand (participates in β ladder)trans-113.6146.7178.1-64.7-170.8158.400111.4I348 S349 K351 G354I348-E356 CarbonylContact C-O 3.56Å; I348-E356 VanDerWaalsContact CA-O 3.25Å; I348-E356 WeakPolarHBondContact CA-O 3.26Å; S349-E356 PolarHBondContact N-O 2.89Å; S349-E356 PolarHBondContact O-N 2.97Å; K351-E356 HydrophobicContact CG-CB 4.39Å; K351-E356 HydrophobicContact CG-CG 4.27Å; G354-E356 PolarHBondContact O-N 2.75Å
357K87.3Confident85.5Confident66 Ų6650.6 Ų50.629%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-79.2120.7172.5176.3176.6171.8165.10109.6D346 I348D346-K357 HydrophobicContact CB-CD 4.23Å; D346-K357 HydrophobicContact CB-CG 4.41Å; D346-K357 WeakPolarHBondContact OD1-CE 3.48Å; D346-K357 IonicContact OD1-NZ 2.69Å; D346-K357 PolarHBondContact OD1-NZ 2.86Å; D346-K357 IonicContact OD2-NZ 3.85Å; D346-K357 PolarHBondContact OD2-NZ 3.39Å; I348-K357 HydrophobicContact CG2-CB 4.46Å
358I87.8Confident85.3Confident23 Ų2355.8 Ų55.812%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-103.2-12.4-179.559.4162000113.4V347 L369 T370V347-I358 HydrophobicContact CB-CG1 4.05Å; V347-I358 HydrophobicContact CG1-CD1 3.77Å; V347-I358 HydrophobicContact CG1-CG1 3.78Å; V347-I358 VanDerWaalsContact O-CG1 3.28Å; V347-I358 WeakPolarHBondContact O-CG1 3.49Å; V347-I358 PolarHBondContact O-N 3.17Å; I358-L369 HydrophobicContact CB-CD2 4.27Å; I358-L369 HydrophobicContact CD1-CD2 3.84Å; I358-L369 HydrophobicContact CG1-CD2 3.83Å; I358-L369 WeakPolarHBondContact O-CD2 3.24Å; I358-T370 PolarHBondContact O-N 3.3Å; I358-T370 VanDerWaalsContact O-N 3.14Å; I358-T370 PolarHBondContact O-OG1 3.24Å
359G88.2Confident84.8Confident0 Ų057 Ų570%030%0.299CS..EExtended strand (participates in β ladder)trans172.6-168.6172.400000114.3V347 N368V347-G359 PolarHBondContact N-O 3.2Å; V347-G359 PolarHBondContact O-N 2.87Å; G359-N368 WeakPolarHBondContact CA-O 3.39Å
360I90Very high83.8Confident69 Ų6961 Ų6135%0.35432%0.324SS..EExtended strand (participates in β ladder)trans-133.2136.3-174.6-54.9173.7000108.7D344 L345 N368D344-I360 HydrophobicContact CB-CG2 4.22Å; L345-I360 CarbonylContact O-C 3.45Å; L345-I360 WeakPolarHBondContact O-CA 3.34Å; I360-N368 PolarHBondContact N-O 3.44Å; I360-N368 CarbonylContact O-C 3.59Å; I360-N368 PolarHBondContact O-N 3.04Å; I360-N368 VanDerWaalsContact O-O 3.11Å
361W90.8Very high82.2Confident5 Ų567.5 Ų67.52%0.01935%0.354CS..EExtended strand (participates in β ladder)trans-113.8135.4171.3-178.492000110.1S117 R120 A121 D124 F343 D344 L345 L367S117-W361 WeakPolarHBondContact O-CH2 3.37Å; S117-W361 WeakPolarHBondContact O-CZ2 3.47Å; R120-W361 HydrophobicContact CB-CZ2 4.26Å; A121-W361 HydrophobicContact CB-CD2 3.43Å; A121-W361 VanDerWaalsContact CB-CD2 3.43Å; A121-W361 VanDerWaalsContact CB-CE2 3.42Å; A121-W361 HydrophobicContact CB-CE3 3.83Å; A121-W361 HydrophobicContact CB-CG 3.82Å; A121-W361 HydrophobicContact CB-CH2 4.16Å; A121-W361 HydrophobicContact CB-CZ2 3.81Å; A121-W361 HydrophobicContact CB-CZ3 4.17Å; D124-W361 PolarHBondContact OD2-NE1 2.73Å; F343-W361 HydrophobicContact CE2-CZ3 4.06Å; F343-W361 HydrophobicContact CZ-CZ3 4.16Å; D344-W361 WeakPolarHBondContact CA-O 3.22Å; L345-W361 HydrophobicContact CB-CB 4.26Å; L345-W361 HydrophobicContact CB-CE3 4.32Å; L345-W361 HydrophobicContact CD1-CE3 3.84Å; L345-W361 HydrophobicContact CD1-CZ3 4.26Å; L345-W361 HydrophobicContact CG-CE3 4.18Å; L345-W361 PolarHBondContact N-O 3.43Å; L345-W361 PolarHBondContact O-N 3.36Å; W361-L367 HydrophobicContact CB-CD1 4.1Å
362N88.4Confident80.3Confident38 Ų3868.7 Ų68.720%0.20337%0.368CS..EExtended strand (participates in β ladder)trans-131.3144.8172.9-177.7-36000109.7D344 Q364 T365 G366D344-N362 PolarHBondContact OD1-ND2 3.01Å; N362-Q364 PolarHBondContact O-N 3.02Å; N362-Q364 VanDerWaalsContact O-N 3.13Å; N362-Q364 PolarHBondContact OD1-N 3.39Å; N362-T365 PolarHBondContact O-N 3.37Å; N362-G366 PolarHBondContact N-O 3.06Å; N362-G366 VanDerWaalsContact N-O 3.16Å; N362-G366 WeakPolarHBondContact O-CA 3.33Å; N362-G366 PolarHBondContact O-N 3.13Å
363S81.1Confident78.3Confident36 Ų3669.3 Ų69.325%0.25238%0.375SS..THydrogen-bonded Turntrans-51.3-30.3176.462.60000115.6
364Q81.7Confident76.5Confident145 Ų14572.7 Ų72.768%0.67838%0.377SS*.THydrogen-bonded Turntrans-94.3-42.5-176.8-63.6-175.9-5.700113E342 N362E342-Q364 PolarHBondContact OE1-NE2 2.84Å; E342-Q364 VanDerWaalsContact OE1-NE2 3.17Å; N362-Q364 PolarHBondContact O-N 3.02Å; N362-Q364 VanDerWaalsContact O-N 3.13Å; N362-Q364 PolarHBondContact OD1-N 3.39Å
365T82.1Confident74.6Confident111 Ų11179.5 Ų79.568%0.68141%0.411SS*.THydrogen-bonded Turntrans-95.1-12.3-174.758.60000113.4N362N362-T365 PolarHBondContact O-N 3.37Å
366G84.4Confident72.5Confident17 Ų1781.5 Ų81.518%0.17543%0.429CS..EExtended strand (participates in β ladder)trans74.3-157.8-172.900000112.4N362 N368N362-G366 PolarHBondContact N-O 3.06Å; N362-G366 VanDerWaalsContact N-O 3.16Å; N362-G366 WeakPolarHBondContact O-CA 3.33Å; N362-G366 PolarHBondContact O-N 3.13Å; G366-N368 PolarHBondContact O-N 3.01Å
367L86.7Confident70.1Confident39 Ų3982.5 Ų82.520%0.20445%0.446CS..EExtended strand (participates in β ladder)trans-77.1119-179.2-174.462.1000111.3D124 I125 F128 V347 W361 L369D124-L367 HydrophobicContact CB-CB 4.09Å; I125-L367 HydrophobicContact CG1-CD1 4.49Å; I125-L367 HydrophobicContact CG1-CD2 3.92Å; F128-L367 HydrophobicContact CB-CD2 3.83Å; F128-L367 HydrophobicContact CG-CD2 4.12Å; V347-L367 HydrophobicContact CG2-CD1 3.72Å; W361-L367 HydrophobicContact CB-CD1 4.1Å; L367-L369 HydrophobicContact CD1-CD2 4.28Å; L367-L369 HydrophobicContact CD1-CG 4.01Å; L367-L369 HydrophobicContact CD2-CD1 3.71Å; L367-L369 HydrophobicContact CD2-CG 4.05Å; L367-L369 HydrophobicContact CG-CD1 4.12Å; L367-L369 HydrophobicContact CG-CG 3.89Å
368N86.3Confident67.6Low111 Ų11184.5 Ų84.559%0.59446%0.464SS*.EExtended strand (participates in β ladder)trans-114.496.2168.8-170.52.5000109G359 I360 G366G359-N368 WeakPolarHBondContact CA-O 3.39Å; I360-N368 PolarHBondContact N-O 3.44Å; I360-N368 CarbonylContact O-C 3.59Å; I360-N368 PolarHBondContact O-N 3.04Å; I360-N368 VanDerWaalsContact O-O 3.11Å; G366-N368 PolarHBondContact O-N 3.01Å
369L78Confident65.4Low27 Ų2788 Ų8814%0.14148%0.483CS..EExtended strand (participates in β ladder)trans-83.1124.6173.3-73.4164.4000108.6F128 V347 I358 L367 E371F128-L369 HydrophobicContact CD1-CD1 3.3Å; F128-L369 HydrophobicContact CD2-CD1 3.6Å; F128-L369 HydrophobicContact CE1-CD1 3.16Å; F128-L369 HydrophobicContact CE2-CB 4.44Å; F128-L369 HydrophobicContact CE2-CD1 3.46Å; F128-L369 VanDerWaalsContact CE2-CD1 3.46Å; F128-L369 HydrophobicContact CG-CD1 3.53Å; F128-L369 HydrophobicContact CZ-CB 4.4Å; F128-L369 HydrophobicContact CZ-CD1 3.24Å; F128-L369 HydrophobicContact CZ-CG 4.44Å; V347-L369 HydrophobicContact CB-CD2 4.4Å; I358-L369 HydrophobicContact CB-CD2 4.27Å; I358-L369 HydrophobicContact CD1-CD2 3.84Å; I358-L369 HydrophobicContact CG1-CD2 3.83Å; I358-L369 WeakPolarHBondContact O-CD2 3.24Å; L367-L369 HydrophobicContact CD1-CD2 4.28Å; L367-L369 HydrophobicContact CD1-CG 4.01Å; L367-L369 HydrophobicContact CD2-CD1 3.71Å; L367-L369 HydrophobicContact CD2-CG 4.05Å; L367-L369 HydrophobicContact CG-CD1 4.12Å; L367-L369 HydrophobicContact CG-CG 3.89Å; L369-E371 VanDerWaalsContact C-N 3.29Å; L369-E371 PolarHBondContact O-N 2.7Å
370T68.6Low63.3Low90 Ų9092.8 Ų92.855%0.55251%0.512SS*.  trans-67.798165.642.40000105.7I358 T372I358-T370 PolarHBondContact O-N 3.3Å; I358-T370 VanDerWaalsContact O-N 3.14Å; I358-T370 PolarHBondContact O-OG1 3.24Å; T370-T372 VanDerWaalsContact C-N 3.3Å; T370-T372 PolarHBondContact O-N 3.17Å
371E52.6Low61.1Low146 Ų14692.8 Ų92.868%0.68252%0.515SS*.  trans-57102.9165.7-75.5-170.7165.400106.5L369 N373L369-E371 VanDerWaalsContact C-N 3.29Å; L369-E371 PolarHBondContact O-N 2.7Å; E371-N373 PolarHBondContact O-N 3.03Å
372T45.1Very low59.1Low114 Ų11497.8 Ų97.870%0.69954%0.542SS*.  trans-63.287153.13.10000104.8T370 R374T370-T372 VanDerWaalsContact C-N 3.3Å; T370-T372 PolarHBondContact O-N 3.17Å; T372-R374 PolarHBondContact O-N 2.75Å
373N37.9Very low57.5Low118 Ų11899.3 Ų99.363%0.63156%0.556SS**THydrogen-bonded Turntrans-70.563.5176.2-148.1-15.2000108E371E371-N373 PolarHBondContact O-N 3.03Å
374R40.7Very low56.4Low213 Ų21397.8 Ų97.880%0.80455%0.545SS*.THydrogen-bonded Turntrans-104.7-8.2168-88-170.1171.7175.6-1.7112.4T372T372-R374 PolarHBondContact O-N 2.75Å
375D40.5Very low55.3Low158 Ų15892.5 Ų92.585%0.84553%0.526SS*.SBendtrans-113.316.8-169.9-74.8-20.2000115.9
376S38.9Very low54.5Low97 Ų9794.6 Ų94.668%0.67853%0.533SS*.SBendtrans-112.5-5.4177.8-169.20000116.7
377S34.8Very low53.9Low110 Ų11097.9 Ų97.977%0.76954%0.54SS*.SBendtrans-152-16.8-179.151.90000119.5
378T35.7Very low53.8Low108 Ų108101 Ų10166%0.66356%0.561SS**SBendtrans-15690.6178.148.70000110.9
379N40Very low53.9Low96 Ų9696 Ų9651%0.51353%0.534SS..  trans164.968.6148.2-81.21.1000108.1T381 D382N379-T381 PolarHBondContact O-N 2.85Å; N379-D382 HydrophobicContact CB-CB 4.44Å; N379-D382 PolarHBondContact ND2-OD2 3.48Å; N379-D382 PolarHBondContact O-N 3.36Å
380V44.4Very low54.6Low101 Ų10196 Ų9661%0.61254%0.535SS*.THydrogen-bonded Turntrans-55.6-18.4171.6174.30000111.6
381T45.2Very low55.9Low69 Ų6991.8 Ų91.842%0.42351%0.509SS..THydrogen-bonded Turntrans-84.4-31.2-175.137.30000115.9N379 S383 A385N379-T381 PolarHBondContact O-N 2.85Å; T381-S383 PolarHBondContact O-N 2.87Å; T381-A385 WeakPolarHBondContact O-CB 3.4Å; T381-A385 PolarHBondContact O-N 3.21Å; T381-A385 VanDerWaalsContact O-N 3.08Å
382D48.8Very low57.9Low110 Ų11084.8 Ų84.859%0.58848%0.477SS*.THydrogen-bonded Turntrans-77.8-26.2-163.2-86-23000115.5N379N379-D382 HydrophobicContact CB-CB 4.44Å; N379-D382 PolarHBondContact ND2-OD2 3.48Å; N379-D382 PolarHBondContact O-N 3.36Å
383S53.8Low60.3Low70 Ų7079.5 Ų79.549%0.4944%0.444SS..THydrogen-bonded Turntrans-84.2-10.5-177.7138.90000114.7T381 K732T381-S383 PolarHBondContact O-N 2.87Å; S383-K732 VanDerWaalsContact CB-NZ 3.34Å; S383-K732 PolarHBondContact OG-NZ 2.94Å
384M58.9Low62.9Low4 Ų474.6 Ų74.62%0.0242%0.418CS..THydrogen-bonded Turntrans-119.9-14.8175.7-89.5-161-73.500113.8N386 R387 L389 L430 F432 Y729 K732M384-N386 PolarHBondContact O-N 3.36Å; M384-R387 PolarHBondContact O-N 2.71Å; M384-L389 HydrophobicContact SD-CD1 4.34Å; M384-L430 HydrophobicContact CE-CB 3.81Å; M384-L430 HydrophobicContact CE-CD1 3.84Å; M384-L430 HydrophobicContact CE-CD2 3.95Å; M384-L430 HydrophobicContact CE-CG 4.06Å; M384-F432 HydrophobicContact CB-CB 4.41Å; M384-F432 WeakPolarHBondContact O-CA 3.45Å; M384-F432 HydrophobicContact SD-CD1 4.19Å; M384-Y729 HydrophobicContact CG-CD1 3.98Å; M384-Y729 HydrophobicContact CG-CE1 3.84Å; M384-Y729 HydrophobicContact SD-CD1 3.59Å; M384-Y729 VanDerWaalsContact SD-CD1 3.59Å; M384-Y729 HydrophobicContact SD-CE1 4.01Å; M384-K732 HydrophobicContact CE-CB 3.57Å; M384-K732 HydrophobicContact CE-CD 3.36Å; M384-K732 HydrophobicContact CE-CG 4.09Å
385A57.1Low65.4Low34 Ų3467.8 Ų67.828%0.28140%0.397SS..THydrogen-bonded Turntrans-55.7132.7175.300000110.9T381 R387 G431T381-A385 WeakPolarHBondContact O-CB 3.4Å; T381-A385 PolarHBondContact O-N 3.21Å; T381-A385 VanDerWaalsContact O-N 3.08Å; A385-R387 PolarHBondContact O-N 3.06Å; A385-G431 WeakPolarHBondContact CA-O 3.25Å
386N65.6Low67.8Low154 Ų15462.1 Ų62.182%0.82437%0.365SS*.THydrogen-bonded Turntrans70.512.7175-57-29.2000118M384 G431M384-N386 PolarHBondContact O-N 3.36Å; N386-G431 PolarHBondContact N-O 3.44Å
387R71.8Confident70.2Confident87 Ų8761.9 Ų61.933%0.32836%0.356SS..  trans-101145.4173.4-64.8-171.9178.2-168.80.3112.3E352 M384 A385 S433E352-R387 IonicContact OE1-NH2 3.93Å; E352-R387 PolarHBondContact OE1-NH2 2.64Å; E352-R387 VanDerWaalsContact OE1-NH2 3.09Å; M384-R387 PolarHBondContact O-N 2.71Å; A385-R387 PolarHBondContact O-N 3.06Å; R387-S433 CarbonylContact O-C 3.27Å; R387-S433 WeakPolarHBondContact O-CA 3.37Å; R387-S433 PolarHBondContact O-N 3.37Å
388T84.9Confident72.9Confident105 Ų10556.7 Ų56.764%0.64432%0.32SS*.EExtended strand (participates in β ladder)trans-97105.1176.151.60000111.1S433T388-S433 CarbonylContact C-O 3.59Å; T388-S433 VanDerWaalsContact CA-O 3.23Å; T388-S433 WeakPolarHBondContact CA-O 3.25Å
389L89.4Confident75.7Confident6 Ų651.6 Ų51.63%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-85.5136.1178.2-59.4179.3000111.2M384 V391 F432 S433 Y434 E435 D466 L467 Y729M384-L389 HydrophobicContact SD-CD1 4.34Å; L389-V391 PolarHBondContact O-N 2.73Å; L389-F432 HydrophobicContact CB-CD2 4.27Å; L389-F432 HydrophobicContact CD1-CB 4.04Å; L389-F432 HydrophobicContact CD1-CD1 4.36Å; L389-F432 HydrophobicContact CD1-CD2 3.59Å; L389-F432 HydrophobicContact CD1-CE2 4.13Å; L389-F432 HydrophobicContact CD1-CG 3.74Å; L389-F432 HydrophobicContact CG-CB 4.36Å; L389-F432 HydrophobicContact CG-CD2 4.04Å; L389-F432 HydrophobicContact CG-CG 4.39Å; L389-S433 PolarHBondContact N-O 2.78Å; L389-Y434 CarbonylContact O-C 3.55Å; L389-Y434 VanDerWaalsContact O-CA 3.24Å; L389-Y434 WeakPolarHBondContact O-CA 3.41Å; L389-E435 PolarHBondContact O-N 3.45Å; L389-D466 HydrophobicContact CB-CB 4.44Å; L389-D466 HydrophobicContact CD2-CB 4.34Å; L389-L467 HydrophobicContact CB-CD1 4.2Å; L389-L467 HydrophobicContact CD1-CD1 3.57Å; L389-L467 HydrophobicContact CG-CD1 4.35Å; L389-Y729 HydrophobicContact CD2-CE2 4.24Å
390V91.8Very high78.3Confident26 Ų2647 Ų4716%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-83.9114.1175-178.80000109K437 A465 D466 L467V390-K437 HydrophobicContact CG1-CD 3.72Å; V390-K437 HydrophobicContact CG1-CG 4.19Å; V390-A465 HydrophobicContact CG1-CB 4.41Å; V390-D466 PolarHBondContact N-OD2 2.85Å; V390-D466 PolarHBondContact O-N 3.4Å; V390-L467 PolarHBondContact O-N 3.04Å
391V95.5Very high80.7Confident1 Ų143.7 Ų43.71%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-104.1114.9-178.6-175.70000109.5L389 L423 E435 V436 K437 L467 V469L389-V391 PolarHBondContact O-N 2.73Å; V391-L423 HydrophobicContact CB-CD2 4.2Å; V391-L423 HydrophobicContact CG1-CD1 4.47Å; V391-L423 HydrophobicContact CG1-CD2 4.01Å; V391-L423 HydrophobicContact CG2-CD1 3.95Å; V391-L423 HydrophobicContact CG2-CD2 4.09Å; V391-E435 PolarHBondContact N-O 3.12Å; V391-V436 WeakPolarHBondContact O-CA 3.45Å; V391-K437 PolarHBondContact O-N 3.21Å; V391-L467 CarbonylContact C-O 3.52Å; V391-L467 WeakPolarHBondContact CA-O 3.4Å; V391-L467 HydrophobicContact CG2-CB 4.35Å; V391-V469 HydrophobicContact CG1-CB 3.9Å; V391-V469 HydrophobicContact CG1-CG2 3.86Å
392T95.7Very high82.9Confident0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-84.8140172.6-171.60000111.1K437 M456 E459 A465 L467 A468 V469T392-K437 CarbonylContact C-O 3.54Å; T392-K437 WeakPolarHBondContact CA-O 3.41Å; T392-M456 HydrophobicContact CG2-CB 4.11Å; T392-M456 HydrophobicContact CG2-CG 4.15Å; T392-E459 VanDerWaalsContact CB-OE2 3.27Å; T392-E459 WeakPolarHBondContact CB-OE2 3.29Å; T392-E459 PolarHBondContact OG1-OE2 2.82Å; T392-A465 HydrophobicContact CG2-CB 3.6Å; T392-L467 PolarHBondContact N-O 3.29Å; T392-A468 HydrophobicContact CG2-CB 3.69Å; T392-A468 WeakPolarHBondContact O-CA 3.49Å; T392-V469 PolarHBondContact O-N 3.21Å
393T95.1Very high84.9Confident3 Ų346.2 Ų46.22%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-151.5174.5177-158.50000112.4V400 V436 K437 L438 V439 V469T393-V400 HydrophobicContact CG2-CG1 4.15Å; T393-V400 HydrophobicContact CG2-CG2 4.08Å; T393-V400 WeakPolarHBondContact OG1-CG2 3.01Å; T393-V436 HydrophobicContact CG2-CG1 3.68Å; T393-K437 PolarHBondContact N-O 2.96Å; T393-L438 HydrophobicContact CG2-CD2 4.06Å; T393-L438 WeakPolarHBondContact O-CA 3.42Å; T393-V439 PolarHBondContact O-N 3.22Å; T393-V469 WeakPolarHBondContact CB-O 3.2Å; T393-V469 PolarHBondContact OG1-O 2.92Å
394I93Very high86.4Confident15 Ų1552.4 Ų52.48%0.07726%0.258CS..  trans-128.3145.5-179.2-170.9170.8000110.2E396 V400 V439 G442 Y444 M456 A470I394-E396 PolarHBondContact O-N 3.27Å; I394-V400 WeakPolarHBondContact O-CB 3.44Å; I394-V439 HydrophobicContact CB-CG1 4.14Å; I394-V439 HydrophobicContact CG1-CG1 4.21Å; I394-G442 VanDerWaalsContact CD1-O 3.26Å; I394-G442 WeakPolarHBondContact CD1-O 3.32Å; I394-Y444 HydrophobicContact CD1-CD2 4.31Å; I394-Y444 HydrophobicContact CD1-CE2 4.06Å; I394-Y444 HydrophobicContact CG2-CD1 4.4Å; I394-Y444 HydrophobicContact CG2-CE1 3.75Å; I394-M456 HydrophobicContact CB-CE 4.1Å; I394-M456 HydrophobicContact CB-SD 4.29Å; I394-M456 HydrophobicContact CG2-CE 3.77Å; I394-M456 HydrophobicContact CG2-SD 4.35Å; I394-A470 HydrophobicContact CG2-CB 4.31Å
395L92.2Very high87.7Confident70 Ų7055.2 Ų55.237%0.36628%0.278SS..  trans-73108.5175-65.5174.7000110.5V400 Y402 F415 L438L395-V400 HydrophobicContact CD2-CG1 4.03Å; L395-Y402 HydrophobicContact CD1-CD2 4.36Å; L395-Y402 HydrophobicContact CD1-CE2 3.45Å; L395-Y402 VanDerWaalsContact CD1-CE2 3.45Å; L395-Y402 HydrophobicContact CD2-CD2 4.34Å; L395-Y402 HydrophobicContact CD2-CE2 4Å; L395-Y402 HydrophobicContact CG-CE2 4.39Å; L395-F415 HydrophobicContact CD2-CD1 4.22Å; L395-F415 HydrophobicContact CD2-CE1 4.02Å; L395-L438 HydrophobicContact CD1-CD1 4.12Å; L395-L438 HydrophobicContact CD2-CD1 4.34Å; L395-L438 HydrophobicContact CD2-CD2 3.91Å; L395-L438 HydrophobicContact CG-CD1 4.14Å; L395-L438 HydrophobicContact CG-CD2 3.89Å
396E90.3Very high89Confident39 Ų3962 Ų6218%0.18231%0.309CS..BIsolated β-bridgetrans-150.3127.6177.4-168.779.6-141.600109I394 Y399 V400 Y444 P471 N676I394-E396 PolarHBondContact O-N 3.27Å; E396-Y399 HydrophobicContact CB-CD2 4.23Å; E396-Y399 HydrophobicContact CG-CD2 3.99Å; E396-Y399 HydrophobicContact CG-CE2 4.46Å; E396-Y399 WeakPolarHBondContact O-CA 3.37Å; E396-Y399 WeakPolarHBondContact O-CB 3.46Å; E396-Y399 PolarHBondContact O-N 2.88Å; E396-V400 CarbonylContact C-O 3.32Å; E396-V400 PolarHBondContact N-O 3.36Å; E396-V400 VanDerWaalsContact N-O 3.1Å; E396-V400 PolarHBondContact O-N 3.07Å; E396-Y444 PolarHBondContact OE2-OH 2.96Å; E396-P471 HydrophobicContact CB-CG 4.43Å; E396-N676 PolarHBondContact OE1-ND2 2.78Å
397N90.4Very high90Very high92 Ų9262.4 Ų62.449%0.49230%0.304SS..THydrogen-bonded Turntrans-79.2138.2179.9-615.4000110.2M401 Y699N397-M401 HydrophobicContact CB-CG 4.26Å; N397-M401 HydrophobicContact CB-SD 3.91Å; N397-M401 WeakPolarHBondContact OD1-CG 3.38Å; N397-Y699 HydrophobicContact CB-CE1 3.97Å
398P92.4Very high90.5Very high1 Ų163 Ų631%0.00632%0.319CS..THydrogen-bonded Turncis-92.915.5-5.936.5-34.3000114.5M401 G417 Y418 Y699 W753 W754P398-M401 HydrophobicContact CB-CE 4.36Å; P398-G417 VanDerWaalsContact O-CA 3.24Å; P398-G417 WeakPolarHBondContact O-CA 3.46Å; P398-Y418 PolarHBondContact O-N 3.14Å; P398-Y699 HydrophobicContact CB-CD2 3.88Å; P398-Y699 HydrophobicContact CB-CE2 3.31Å; P398-Y699 HydrophobicContact CG-CD2 3.4Å; P398-Y699 VanDerWaalsContact CG-CD2 3.4Å; P398-Y699 HydrophobicContact CG-CE2 3.43Å; P398-Y699 VanDerWaalsContact CG-CE2 3.43Å; P398-Y699 HydrophobicContact CG-CG 4.09Å; P398-W753 HydrophobicContact CB-CB 4.35Å; P398-W753 HydrophobicContact CB-CE3 4.43Å; P398-W753 HydrophobicContact CG-CB 4.5Å; P398-W754 HydrophobicContact CG-CD2 4.28Å; P398-W754 HydrophobicContact CG-CE3 4.17Å; P398-W754 HydrophobicContact CG-CH2 3.81Å; P398-W754 HydrophobicContact CG-CZ2 3.9Å; P398-W754 HydrophobicContact CG-CZ3 3.95Å
399Y93.9Very high90.7Very high0 Ų060.5 Ų60.50%030%0.301CS..THydrogen-bonded Turntrans-69.1-49.5-174-56.9-81.1000112.1E396 G417 Y418 C419 P471 T695 Y719 W754E396-Y399 HydrophobicContact CB-CD2 4.23Å; E396-Y399 HydrophobicContact CG-CD2 3.99Å; E396-Y399 HydrophobicContact CG-CE2 4.46Å; E396-Y399 WeakPolarHBondContact O-CA 3.37Å; E396-Y399 WeakPolarHBondContact O-CB 3.46Å; E396-Y399 PolarHBondContact O-N 2.88Å; Y399-G417 CarbonylContact O-C 3.49Å; Y399-G417 VanDerWaalsContact O-C 3.27Å; Y399-G417 VanDerWaalsContact O-CA 3.3Å; Y399-G417 WeakPolarHBondContact O-CA 3.29Å; Y399-Y418 HydrophobicContact CD1-CD1 4.44Å; Y399-Y418 PolarHBondContact O-N 3.22Å; Y399-C419 WeakPolarHBondContact O-CB 3.35Å; Y399-C419 PolarHBondContact O-N 2.75Å; Y399-P471 HydrophobicContact CD1-CB 3.9Å; Y399-P471 HydrophobicContact CD1-CG 4.16Å; Y399-P471 HydrophobicContact CD2-CB 3.97Å; Y399-P471 HydrophobicContact CD2-CG 3.67Å; Y399-P471 HydrophobicContact CE1-CB 3.89Å; Y399-P471 HydrophobicContact CE2-CB 3.96Å; Y399-P471 HydrophobicContact CE2-CG 4.11Å; Y399-P471 HydrophobicContact CG-CB 3.94Å; Y399-P471 HydrophobicContact CG-CG 3.7Å; Y399-T695 WeakPolarHBondContact OH-CB 3.46Å; Y399-T695 PolarHBondContact OH-OG1 3.43Å; Y399-Y719 HydrophobicContact CE1-CD2 4.26Å; Y399-Y719 AromaticContact CE1-CE2 3.85Å; Y399-Y719 HydrophobicContact CE1-CE2 3.85Å; Y399-Y719 AromaticContact CZ-CE2 3.78Å; Y399-Y719 WeakPolarHBondContact OH-CE2 3.33Å; Y399-W754 HydrophobicContact CD1-CH2 4.11Å; Y399-W754 AromaticContact CE1-CH2 3.53Å; Y399-W754 HydrophobicContact CE1-CH2 3.53Å; Y399-W754 AromaticContact CE1-CZ2 3.87Å; Y399-W754 HydrophobicContact CE1-CZ2 3.87Å; Y399-W754 AromaticContact CZ-CH2 3.89Å; Y399-W754 AromaticContact CZ-CZ2 3.73Å; Y399-W754 WeakPolarHBondContact OH-CZ2 3.47Å
400V94.9Very high90.6Very high0 Ų068.8 Ų68.80%033%0.333CS..BIsolated β-bridgetrans-144.1119.3178.1-177.90000109.3T393 I394 L395 E396 F415 C419 L420T393-V400 HydrophobicContact CG2-CG1 4.15Å; T393-V400 HydrophobicContact CG2-CG2 4.08Å; T393-V400 WeakPolarHBondContact OG1-CG2 3.01Å; I394-V400 WeakPolarHBondContact O-CB 3.44Å; L395-V400 HydrophobicContact CD2-CG1 4.03Å; E396-V400 CarbonylContact C-O 3.32Å; E396-V400 PolarHBondContact N-O 3.36Å; E396-V400 VanDerWaalsContact N-O 3.1Å; E396-V400 PolarHBondContact O-N 3.07Å; V400-F415 HydrophobicContact CG1-CB 4.3Å; V400-F415 HydrophobicContact CG1-CD1 4.1Å; V400-F415 HydrophobicContact CG1-CG 4.37Å; V400-C419 HydrophobicContact CG2-CB 4.06Å; V400-L420 HydrophobicContact CB-CD2 4Å; V400-L420 HydrophobicContact CG1-CD2 3.89Å; V400-L420 HydrophobicContact CG2-CD2 3.55Å
401M93.1Very high90.4Very high32 Ų3269.4 Ų69.416%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-133.2156.4-178.4-57.7-174.2-7000109.7N397 P398 K403 F415 E416 W753N397-M401 HydrophobicContact CB-CG 4.26Å; N397-M401 HydrophobicContact CB-SD 3.91Å; N397-M401 WeakPolarHBondContact OD1-CG 3.38Å; P398-M401 HydrophobicContact CB-CE 4.36Å; M401-K403 PolarHBondContact O-N 3.32Å; M401-F415 CarbonylContact O-C 3.57Å; M401-F415 VanDerWaalsContact O-CA 3.28Å; M401-F415 WeakPolarHBondContact O-CA 3.48Å; M401-E416 HydrophobicContact CB-CG 4.36Å; M401-E416 PolarHBondContact N-O 2.87Å; M401-E416 PolarHBondContact O-N 2.91Å; M401-W753 HydrophobicContact CE-CE3 3.99Å; M401-W753 HydrophobicContact CE-CZ3 3.54Å
402Y91.8Very high90.1Very high134 Ų13471.6 Ų71.653%0.52536%0.356SS..EExtended strand (participates in β ladder)trans-72.1128.8167.7-74.1-69.5000110L395 K404 F415L395-Y402 HydrophobicContact CD1-CD2 4.36Å; L395-Y402 HydrophobicContact CD1-CE2 3.45Å; L395-Y402 VanDerWaalsContact CD1-CE2 3.45Å; L395-Y402 HydrophobicContact CD2-CD2 4.34Å; L395-Y402 HydrophobicContact CD2-CE2 4Å; L395-Y402 HydrophobicContact CG-CE2 4.39Å; Y402-K404 PolarHBondContact O-N 3.05Å; Y402-F415 HydrophobicContact CD1-CD1 4.14Å; Y402-F415 AromaticContact CD1-CE1 3.9Å; Y402-F415 HydrophobicContact CD1-CE1 3.9Å; Y402-F415 HydrophobicContact CE1-CD1 4.17Å; Y402-F415 AromaticContact CE1-CE1 3.46Å; Y402-F415 HydrophobicContact CE1-CE1 3.46Å; Y402-F415 VanDerWaalsContact CE1-CE1 3.46Å; Y402-F415 HydrophobicContact CE1-CZ 4.22Å
403K90.7Very high89.7Confident97 Ų9776.7 Ų76.742%0.42238%0.384SS..  trans-69.3122.8175.2-175.9166.3-176.1-178.60110M401 S405 L409 R414 E416M401-K403 PolarHBondContact O-N 3.32Å; K403-S405 PolarHBondContact O-N 2.77Å; K403-L409 HydrophobicContact CB-CD1 4.25Å; K403-L409 HydrophobicContact CD-CD1 3.82Å; K403-L409 HydrophobicContact CG-CD1 4.06Å; K403-R414 PolarHBondContact N-O 3.3Å; K403-E416 HydrophobicContact CB-CB 4.26Å; K403-E416 HydrophobicContact CB-CG 4.11Å; K403-E416 WeakPolarHBondContact CG-OE2 3.42Å
404K86.6Confident89.5Confident200 Ų20081.6 Ų81.687%0.8740%0.402SS*.  trans-75112.7173.9-66.5-177.3-178.5178.50108.8Y402Y402-K404 PolarHBondContact O-N 3.05Å
405S86.1Confident89.5Confident63 Ų6381.6 Ų81.644%0.44140%0.402SS..  trans-143.7144175.3-168.50000110.1K403 K407K403-S405 PolarHBondContact O-N 2.77Å; S405-K407 PolarHBondContact O-N 2.89Å
406D83.3Confident89.6Confident176 Ų17681.3 Ų81.394%0.94140%0.398SS*.SBendtrans-69.9-17.1175.6-56.6-41.7000112.2
407K86.5Confident89.8Confident163 Ų16379.5 Ų79.571%0.70939%0.39SS*.SBendtrans-101.8141.4177-65.5-178.9-178.1178.20110.7S405 L409S405-K407 PolarHBondContact O-N 2.89Å; K407-L409 PolarHBondContact O-N 3.06Å; K407-L409 VanDerWaalsContact O-N 3.09Å
408P83.9Confident90Very high99 Ų9975.1 Ų75.164%0.64337%0.366SS*.  trans-65.6113.3171.527.5-32.5000109.3Y410P408-Y410 HydrophobicContact CB-CE2 4.17Å; P408-Y410 HydrophobicContact CG-CE2 4.34Å; P408-Y410 WeakPolarHBondContact O-CE2 3.25Å
409L88.6Confident90.2Very high53 Ų5375.2 Ų75.228%0.27737%0.367SS..  trans-86.3148.2174.2-61.9172.4000109.4K403 K407 D413 R414K403-L409 HydrophobicContact CB-CD1 4.25Å; K403-L409 HydrophobicContact CD-CD1 3.82Å; K403-L409 HydrophobicContact CG-CD1 4.06Å; K407-L409 PolarHBondContact O-N 3.06Å; K407-L409 VanDerWaalsContact O-N 3.09Å; L409-D413 HydrophobicContact CB-CB 4.5Å; L409-D413 VanDerWaalsContact CD1-O 3.3Å; L409-D413 WeakPolarHBondContact CD1-O 3.43Å; L409-R414 VanDerWaalsContact C-CG 3.49Å; L409-R414 HydrophobicContact CB-CG 4.04Å; L409-R414 VanDerWaalsContact O-CD 3.32Å; L409-R414 WeakPolarHBondContact O-CD 3.28Å; L409-R414 WeakPolarHBondContact O-CG 3.33Å
410Y86.3Confident90.2Very high181 Ų18176 Ų7671%0.7137%0.371SS*.  trans-125.6156.1179.9-62.3-85.7000110.3P408P408-Y410 HydrophobicContact CB-CE2 4.17Å; P408-Y410 HydrophobicContact CG-CE2 4.34Å; P408-Y410 WeakPolarHBondContact O-CE2 3.25Å
411G87.6Confident90.2Very high39 Ų3977.9 Ų77.940%0.40238%0.381SS..G310 helixtrans68.2-134.3178.900000113.4R414G411-R414 PolarHBondContact O-NE 3.02Å; G411-R414 PolarHBondContact O-NH2 2.86Å
412N89.3Confident90.4Very high46 Ų4676.3 Ų76.325%0.24637%0.373CS..G310 helixtrans-73.9-30.7-174.6-63.6-20.5000113.1R414 F415 Y434 V436N412-R414 PolarHBondContact O-N 2.87Å; N412-F415 PolarHBondContact O-N 2.74Å; N412-Y434 HydrophobicContact CB-CE2 4.36Å; N412-Y434 PolarHBondContact ND2-O 3.46Å; N412-V436 PolarHBondContact OD1-N 3.49Å
413D88Confident90.5Very high107 Ų10770.1 Ų70.157%0.57235%0.349SS*.G310 helixtrans-68-9.5-174.7-67.2-31.2000113.9L409 F415L409-D413 HydrophobicContact CB-CB 4.5Å; L409-D413 VanDerWaalsContact CD1-O 3.3Å; L409-D413 WeakPolarHBondContact CD1-O 3.43Å; D413-F415 PolarHBondContact O-N 2.91Å
414R91.3Very high90.7Very high106 Ų10671 Ų7140%0.435%0.353SS..G310 helixtrans-65.7-23.5174.8-68.2-178.9-64.3173.43.1113.1K403 L409 G411 N412K403-R414 PolarHBondContact N-O 3.3Å; L409-R414 VanDerWaalsContact C-CG 3.49Å; L409-R414 HydrophobicContact CB-CG 4.04Å; L409-R414 VanDerWaalsContact O-CD 3.32Å; L409-R414 WeakPolarHBondContact O-CD 3.28Å; L409-R414 WeakPolarHBondContact O-CG 3.33Å; G411-R414 PolarHBondContact O-NE 3.02Å; G411-R414 PolarHBondContact O-NH2 2.86Å; N412-R414 PolarHBondContact O-N 2.87Å
415F93.2Very high91Very high16 Ų1663.8 Ų63.87%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-111.3146.9-174.4-55.2-69.5000111L395 V400 M401 Y402 N412 D413 L420 V436 L438L395-F415 HydrophobicContact CD2-CD1 4.22Å; L395-F415 HydrophobicContact CD2-CE1 4.02Å; V400-F415 HydrophobicContact CG1-CB 4.3Å; V400-F415 HydrophobicContact CG1-CD1 4.1Å; V400-F415 HydrophobicContact CG1-CG 4.37Å; M401-F415 CarbonylContact O-C 3.57Å; M401-F415 VanDerWaalsContact O-CA 3.28Å; M401-F415 WeakPolarHBondContact O-CA 3.48Å; Y402-F415 HydrophobicContact CD1-CD1 4.14Å; Y402-F415 AromaticContact CD1-CE1 3.9Å; Y402-F415 HydrophobicContact CD1-CE1 3.9Å; Y402-F415 HydrophobicContact CE1-CD1 4.17Å; Y402-F415 AromaticContact CE1-CE1 3.46Å; Y402-F415 HydrophobicContact CE1-CE1 3.46Å; Y402-F415 VanDerWaalsContact CE1-CE1 3.46Å; Y402-F415 HydrophobicContact CE1-CZ 4.22Å; N412-F415 PolarHBondContact O-N 2.74Å; D413-F415 PolarHBondContact O-N 2.91Å; F415-L420 HydrophobicContact CB-CD1 4.18Å; F415-L420 HydrophobicContact CB-CD2 4.32Å; F415-L420 HydrophobicContact CB-CG 4.07Å; F415-V436 HydrophobicContact CD2-CB 4.36Å; F415-V436 HydrophobicContact CD2-CG1 4.02Å; F415-V436 HydrophobicContact CE2-CG1 4.25Å; F415-L438 HydrophobicContact CE1-CD1 3.96Å; F415-L438 HydrophobicContact CE1-CD2 4.03Å; F415-L438 HydrophobicContact CE1-CG 4.16Å; F415-L438 HydrophobicContact CZ-CD1 3.85Å; F415-L438 HydrophobicContact CZ-CD2 4.07Å; F415-L438 HydrophobicContact CZ-CG 3.82Å
416E93.8Very high91.3Very high64 Ų6460.8 Ų60.830%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-139.4154171.168.4-17617700109.8M401 K403 W753M401-E416 HydrophobicContact CB-CG 4.36Å; M401-E416 PolarHBondContact N-O 2.87Å; M401-E416 PolarHBondContact O-N 2.91Å; K403-E416 HydrophobicContact CB-CB 4.26Å; K403-E416 HydrophobicContact CB-CG 4.11Å; K403-E416 WeakPolarHBondContact CG-OE2 3.42Å; E416-W753 HydrophobicContact CB-CH2 4.13Å; E416-W753 HydrophobicContact CG-CH2 4.28Å
417G94.3Very high91.7Very high0 Ų053.3 Ų53.30%026%0.263CS..SBendtrans149.6176.5177.200000112.9P398 Y399 C419 L420 D421 W753P398-G417 VanDerWaalsContact O-CA 3.24Å; P398-G417 WeakPolarHBondContact O-CA 3.46Å; Y399-G417 CarbonylContact O-C 3.49Å; Y399-G417 VanDerWaalsContact O-C 3.27Å; Y399-G417 VanDerWaalsContact O-CA 3.3Å; Y399-G417 WeakPolarHBondContact O-CA 3.29Å; G417-C419 VanDerWaalsContact C-N 3.34Å; G417-C419 PolarHBondContact O-N 3.39Å; G417-L420 PolarHBondContact O-N 3.29Å; G417-L420 VanDerWaalsContact O-N 3.15Å; G417-D421 PolarHBondContact O-N 3.44Å; G417-W753 VanDerWaalsContact C-CE2 3.43Å; G417-W753 VanDerWaalsContact C-CZ2 3.49Å; G417-W753 VanDerWaalsContact CA-CH2 3.47Å; G417-W753 VanDerWaalsContact CA-CZ2 3.46Å; G417-W753 VanDerWaalsContact N-CH2 3.33Å
418Y95.5Very high91.9Very high1 Ų150.5 Ų50.50%0.00426%0.256CS..Hα-helixtrans-58.9-43-177.9178.9-89.6000112.8P398 Y399 L420 D421 L422 F488 M489 M749 K750 W753 W754P398-Y418 PolarHBondContact O-N 3.14Å; Y399-Y418 HydrophobicContact CD1-CD1 4.44Å; Y399-Y418 PolarHBondContact O-N 3.22Å; Y418-L420 VanDerWaalsContact C-N 3.26Å; Y418-L420 PolarHBondContact O-N 2.89Å; Y418-D421 PolarHBondContact O-N 3.32Å; Y418-L422 WeakPolarHBondContact O-CB 3.46Å; Y418-L422 PolarHBondContact O-N 2.97Å; Y418-F488 HydrophobicContact CD1-CE2 4.43Å; Y418-F488 AromaticContact CE1-CD2 3.89Å; Y418-F488 HydrophobicContact CE1-CD2 3.89Å; Y418-F488 AromaticContact CE1-CE2 3.67Å; Y418-F488 HydrophobicContact CE1-CE2 3.67Å; Y418-M489 HydrophobicContact CE1-CE 3.87Å; Y418-M489 HydrophobicContact CE2-CE 4.01Å; Y418-M749 HydrophobicContact CD2-CB 3.92Å; Y418-M749 HydrophobicContact CE2-CB 3.57Å; Y418-K750 HydrophobicContact CE2-CB 4.35Å; Y418-W753 AromaticContact CD2-CD1 3.91Å; Y418-W754 HydrophobicContact CD1-CZ3 4.49Å; Y418-W754 HydrophobicContact CD2-CE3 4.5Å; Y418-W754 HydrophobicContact CD2-CH2 4.47Å; Y418-W754 AromaticContact CD2-CZ3 3.64Å; Y418-W754 HydrophobicContact CD2-CZ3 3.64Å; Y418-W754 HydrophobicContact CE2-CZ3 4.31Å; Y418-W754 HydrophobicContact CG-CH2 4.21Å; Y418-W754 AromaticContact CG-CZ3 3.74Å; Y418-W754 HydrophobicContact CG-CZ3 3.74Å
419C95.6Very high92.2Very high2 Ų247.8 Ų47.81%0.01424%0.235CC..Hα-helixtrans-68.8-26.9-179.8-750000112.3Y399 V400 G417 L423 V469Y399-C419 WeakPolarHBondContact O-CB 3.35Å; Y399-C419 PolarHBondContact O-N 2.75Å; V400-C419 HydrophobicContact CG2-CB 4.06Å; G417-C419 VanDerWaalsContact C-N 3.34Å; G417-C419 PolarHBondContact O-N 3.39Å; C419-L423 VanDerWaalsContact O-CB 3.25Å; C419-L423 WeakPolarHBondContact O-CB 3.42Å; C419-L423 PolarHBondContact O-N 3.44Å; C419-V469 HydrophobicContact CB-CG1 4.12Å
420L95Very high92.1Very high18 Ų1845.4 Ų45.49%0.09422%0.223CC..Hα-helixtrans-77.5-41.5177.9-74.9-59000110.9V400 F415 G417 Y418 L422 L423 K424 V436V400-L420 HydrophobicContact CB-CD2 4Å; V400-L420 HydrophobicContact CG1-CD2 3.89Å; V400-L420 HydrophobicContact CG2-CD2 3.55Å; F415-L420 HydrophobicContact CB-CD1 4.18Å; F415-L420 HydrophobicContact CB-CD2 4.32Å; F415-L420 HydrophobicContact CB-CG 4.07Å; G417-L420 PolarHBondContact O-N 3.29Å; G417-L420 VanDerWaalsContact O-N 3.15Å; Y418-L420 VanDerWaalsContact C-N 3.26Å; Y418-L420 PolarHBondContact O-N 2.89Å; L420-L422 VanDerWaalsContact C-N 3.34Å; L420-L423 PolarHBondContact O-N 2.92Å; L420-K424 WeakPolarHBondContact O-CB 3.49Å; L420-K424 PolarHBondContact O-N 3.04Å; L420-V436 HydrophobicContact CD1-CG1 4.47Å; L420-V436 HydrophobicContact CD1-CG2 3.95Å
421D95Very high92Very high38 Ų3838.4 Ų38.420%0.20321%0.206CC..Hα-helixtrans-62.1-43.7172.9-77.9-5.6000110.6G417 Y418 K424 E425 M749 K752 W753G417-D421 PolarHBondContact O-N 3.44Å; Y418-D421 PolarHBondContact O-N 3.32Å; D421-K424 PolarHBondContact O-N 3.36Å; D421-E425 PolarHBondContact O-N 2.94Å; D421-M749 HydrophobicContact CB-SD 3.87Å; D421-K752 IonicContact OD1-NZ 2.87Å; D421-K752 IonicContact OD2-NZ 2.76Å; D421-K752 PolarHBondContact OD2-NZ 3.37Å; D421-W753 WeakPolarHBondContact OD2-CZ2 3.37Å; D421-W753 PolarHBondContact OD2-NE1 2.83Å
422L95.3Very high92.1Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-58.9-48.2173.3176.362.4000111.7Y418 L420 K424 E425 L426 V469 F488 L740 L746 M749Y418-L422 WeakPolarHBondContact O-CB 3.46Å; Y418-L422 PolarHBondContact O-N 2.97Å; L420-L422 VanDerWaalsContact C-N 3.34Å; L422-K424 VanDerWaalsContact C-N 3.28Å; L422-K424 PolarHBondContact O-N 2.94Å; L422-E425 PolarHBondContact O-N 2.98Å; L422-L426 HydrophobicContact CD1-CD1 4.33Å; L422-L426 HydrophobicContact CD1-CG 4.28Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 HydrophobicContact CG-CG 4.49Å; L422-L426 VanDerWaalsContact O-CG 3.32Å; L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 3.14Å; L422-V469 HydrophobicContact CD2-CG1 4.42Å; L422-F488 HydrophobicContact CD2-CB 4.49Å; L422-F488 HydrophobicContact CD2-CD1 4.08Å; L422-F488 HydrophobicContact CD2-CD2 3.99Å; L422-F488 HydrophobicContact CD2-CE1 4.29Å; L422-F488 HydrophobicContact CD2-CE2 4.23Å; L422-F488 HydrophobicContact CD2-CG 3.92Å; L422-F488 HydrophobicContact CD2-CZ 4.36Å; L422-L740 HydrophobicContact CD1-CD1 3.76Å; L422-L746 HydrophobicContact CD1-CD2 3.69Å; L422-M749 HydrophobicContact CD1-CE 4.33Å
423L94.6Very high92.1Very high4 Ų437.5 Ų37.52%0.02120%0.196CC..Hα-helixtrans-61.5-38.2178.917861.3000111.9V391 C419 L420 L426 S427 F432 Y434 V436 V469V391-L423 HydrophobicContact CB-CD2 4.2Å; V391-L423 HydrophobicContact CG1-CD1 4.47Å; V391-L423 HydrophobicContact CG1-CD2 4.01Å; V391-L423 HydrophobicContact CG2-CD1 3.95Å; V391-L423 HydrophobicContact CG2-CD2 4.09Å; C419-L423 VanDerWaalsContact O-CB 3.25Å; C419-L423 WeakPolarHBondContact O-CB 3.42Å; C419-L423 PolarHBondContact O-N 3.44Å; L420-L423 PolarHBondContact O-N 2.92Å; L423-L426 PolarHBondContact O-N 3.02Å; L423-S427 VanDerWaalsContact O-CB 3.26Å; L423-S427 WeakPolarHBondContact O-CB 3.5Å; L423-S427 PolarHBondContact O-N 2.72Å; L423-F432 HydrophobicContact CD1-CE2 4.01Å; L423-F432 HydrophobicContact CD1-CZ 4.06Å; L423-Y434 HydrophobicContact CD1-CD1 4.4Å; L423-Y434 HydrophobicContact CD1-CG 4.31Å; L423-Y434 HydrophobicContact CD2-CD1 4.47Å; L423-Y434 HydrophobicContact CD2-CD2 3.42Å; L423-Y434 VanDerWaalsContact CD2-CD2 3.42Å; L423-Y434 HydrophobicContact CD2-CE2 3.5Å; L423-Y434 HydrophobicContact CD2-CG 3.93Å; L423-Y434 HydrophobicContact CG-CD1 4.12Å; L423-Y434 HydrophobicContact CG-CD2 3.97Å; L423-Y434 HydrophobicContact CG-CE1 4.09Å; L423-Y434 HydrophobicContact CG-CE2 3.93Å; L423-Y434 HydrophobicContact CG-CG 4.06Å; L423-V436 HydrophobicContact CD2-CG2 3.92Å; L423-V469 HydrophobicContact CB-CG1 4.48Å; L423-V469 HydrophobicContact CD1-CG2 4.15Å
424K94.2Very high92.3Very high115 Ų11534.4 Ų34.450%0.518%0.177SC..Hα-helixtrans-64.9-43.7175.6-172.4178-179178.80112L420 D421 L422 S427 N428L420-K424 WeakPolarHBondContact O-CB 3.49Å; L420-K424 PolarHBondContact O-N 3.04Å; D421-K424 PolarHBondContact O-N 3.36Å; L422-K424 VanDerWaalsContact C-N 3.28Å; L422-K424 PolarHBondContact O-N 2.94Å; K424-S427 PolarHBondContact O-N 2.75Å; K424-N428 PolarHBondContact O-N 3.06Å; K424-N428 PolarHBondContact O-ND2 3.47Å
425E93.8Very high92.4Very high48 Ų4833.8 Ų33.822%0.22418%0.179CC..Hα-helixtrans-64.5-42.3174.6-73.7-62.2125.800112D421 L422 S427 N428 I429 L740 K745 M749D421-E425 PolarHBondContact O-N 2.94Å; L422-E425 PolarHBondContact O-N 2.98Å; E425-S427 VanDerWaalsContact C-N 3.32Å; E425-S427 PolarHBondContact O-N 3.04Å; E425-N428 PolarHBondContact O-N 3.1Å; E425-I429 WeakPolarHBondContact O-CG1 3.37Å; E425-I429 PolarHBondContact O-N 3.29Å; E425-L740 HydrophobicContact CB-CD1 4.17Å; E425-L740 HydrophobicContact CB-CD2 4.05Å; E425-K745 IonicContact OE2-NZ 2.84Å; E425-K745 PolarHBondContact OE2-NZ 3.15Å; E425-M749 HydrophobicContact CG-SD 4.34Å
426L92.5Very high92.4Very high1 Ų133.2 Ų33.21%0.00518%0.177CC..Hα-helixtrans-60.9-42.7175-70.1174.9000111.6L422 L423 I429 L430 F432 A736 I737 L740L422-L426 HydrophobicContact CD1-CD1 4.33Å; L422-L426 HydrophobicContact CD1-CG 4.28Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 HydrophobicContact CG-CG 4.49Å; L422-L426 VanDerWaalsContact O-CG 3.32Å; L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 3.14Å; L423-L426 PolarHBondContact O-N 3.02Å; L426-I429 PolarHBondContact O-N 3.14Å; L426-L430 VanDerWaalsContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CB 3.1Å; L426-L430 WeakPolarHBondContact O-CG 3.45Å; L426-L430 PolarHBondContact O-N 2.87Å; L426-F432 HydrophobicContact CB-CE1 4.28Å; L426-F432 HydrophobicContact CB-CZ 4.18Å; L426-F432 WeakPolarHBondContact O-CE1 3.35Å; L426-A736 HydrophobicContact CD2-CB 3.65Å; L426-I737 HydrophobicContact CD2-CG1 4.14Å; L426-L740 HydrophobicContact CD2-CD1 3.98Å; L426-L740 HydrophobicContact CG-CD1 4.4Å
427S91.9Very high92.4Very high18 Ų1834.5 Ų34.513%0.12618%0.181CC..Hα-helixtrans-62.5-41.8175.5169.60000112.1L423 K424 E425 G431 F432L423-S427 VanDerWaalsContact O-CB 3.26Å; L423-S427 WeakPolarHBondContact O-CB 3.5Å; L423-S427 PolarHBondContact O-N 2.72Å; K424-S427 PolarHBondContact O-N 2.75Å; E425-S427 VanDerWaalsContact C-N 3.32Å; E425-S427 PolarHBondContact O-N 3.04Å; S427-G431 VanDerWaalsContact O-CA 3.3Å; S427-G431 WeakPolarHBondContact O-CA 3.45Å; S427-G431 PolarHBondContact O-N 3.2Å; S427-F432 WeakPolarHBondContact CB-O 3.25Å; S427-F432 PolarHBondContact OG-O 3.27Å
428N90.8Very high92.4Very high104 Ų10437.3 Ų37.356%0.55620%0.196SC*.Hα-helixtrans-65-39176.8-69.9-20.3000112.8K424 E425K424-N428 PolarHBondContact O-N 3.06Å; K424-N428 PolarHBondContact O-ND2 3.47Å; E425-N428 PolarHBondContact O-N 3.1Å
429I89.1Confident92.4Very high42 Ų4237.8 Ų37.822%0.21520%0.199CC..Hα-helixtrans-74.9-44-179.8-66.9168.1000111.1E425 L426 A736 L740E425-I429 WeakPolarHBondContact O-CG1 3.37Å; E425-I429 PolarHBondContact O-N 3.29Å; L426-I429 PolarHBondContact O-N 3.14Å; I429-A736 HydrophobicContact CG2-CB 4.19Å; I429-L740 HydrophobicContact CD1-CD1 4.45Å; I429-L740 HydrophobicContact CD1-CD2 3.65Å; I429-L740 HydrophobicContact CD1-CG 3.89Å
430L87.6Confident92.1Very high3 Ų343.1 Ų43.12%0.01624%0.236CC..Hα-helixtrans-94.4-10.7-171.6-62.5174000113.5M384 L426 F432 K732 V733 A736M384-L430 HydrophobicContact CE-CB 3.81Å; M384-L430 HydrophobicContact CE-CD1 3.84Å; M384-L430 HydrophobicContact CE-CD2 3.95Å; M384-L430 HydrophobicContact CE-CG 4.06Å; L426-L430 VanDerWaalsContact O-CB 3.28Å; L426-L430 WeakPolarHBondContact O-CB 3.1Å; L426-L430 WeakPolarHBondContact O-CG 3.45Å; L426-L430 PolarHBondContact O-N 2.87Å; L430-F432 HydrophobicContact CB-CD1 3.61Å; L430-F432 HydrophobicContact CB-CE1 3.81Å; L430-F432 HydrophobicContact CD1-CE1 4.03Å; L430-F432 HydrophobicContact CG-CE1 4.44Å; L430-F432 PolarHBondContact O-N 3.32Å; L430-K732 HydrophobicContact CD2-CB 4.28Å; L430-V733 HydrophobicContact CD1-CG2 4.14Å; L430-A736 HydrophobicContact CD1-CB 3.94Å; L430-A736 HydrophobicContact CD2-CB 4.14Å; L430-A736 HydrophobicContact CG-CB 4.08Å
431G84.6Confident91.7Very high34 Ų3445.7 Ų45.735%0.35125%0.25SC..  trans76.610.717400000116.1A385 N386 S427A385-G431 WeakPolarHBondContact CA-O 3.25Å; N386-G431 PolarHBondContact N-O 3.44Å; S427-G431 VanDerWaalsContact O-CA 3.3Å; S427-G431 WeakPolarHBondContact O-CA 3.45Å; S427-G431 PolarHBondContact O-N 3.2Å
432F88.3Confident91.4Very high4 Ų446.1 Ų46.12%0.01826%0.263CS..  trans-87.6146.417967.6-87.6000111.9M384 L389 L423 L426 S427 L430 Y434M384-F432 HydrophobicContact CB-CB 4.41Å; M384-F432 WeakPolarHBondContact O-CA 3.45Å; M384-F432 HydrophobicContact SD-CD1 4.19Å; L389-F432 HydrophobicContact CB-CD2 4.27Å; L389-F432 HydrophobicContact CD1-CB 4.04Å; L389-F432 HydrophobicContact CD1-CD1 4.36Å; L389-F432 HydrophobicContact CD1-CD2 3.59Å; L389-F432 HydrophobicContact CD1-CE2 4.13Å; L389-F432 HydrophobicContact CD1-CG 3.74Å; L389-F432 HydrophobicContact CG-CB 4.36Å; L389-F432 HydrophobicContact CG-CD2 4.04Å; L389-F432 HydrophobicContact CG-CG 4.39Å; L423-F432 HydrophobicContact CD1-CE2 4.01Å; L423-F432 HydrophobicContact CD1-CZ 4.06Å; L426-F432 HydrophobicContact CB-CE1 4.28Å; L426-F432 HydrophobicContact CB-CZ 4.18Å; L426-F432 WeakPolarHBondContact O-CE1 3.35Å; S427-F432 WeakPolarHBondContact CB-O 3.25Å; S427-F432 PolarHBondContact OG-O 3.27Å; L430-F432 HydrophobicContact CB-CD1 3.61Å; L430-F432 HydrophobicContact CB-CE1 3.81Å; L430-F432 HydrophobicContact CD1-CE1 4.03Å; L430-F432 HydrophobicContact CG-CE1 4.44Å; L430-F432 PolarHBondContact O-N 3.32Å; F432-Y434 HydrophobicContact CD2-CD1 4.46Å; F432-Y434 HydrophobicContact CE2-CD1 4.07Å; F432-Y434 HydrophobicContact CE2-CG 4.43Å
433S89.8Confident91.1Very high62 Ų6249.9 Ų49.943%0.43428%0.28SS..EExtended strand (participates in β ladder)trans-85156.8163.8-66.40000109.8R387 T388 L389R387-S433 CarbonylContact O-C 3.27Å; R387-S433 WeakPolarHBondContact O-CA 3.37Å; R387-S433 PolarHBondContact O-N 3.37Å; T388-S433 CarbonylContact C-O 3.59Å; T388-S433 VanDerWaalsContact CA-O 3.23Å; T388-S433 WeakPolarHBondContact CA-O 3.25Å; L389-S433 PolarHBondContact N-O 2.78Å
434Y91.9Very high90.7Very high43 Ų4352 Ų5217%0.16929%0.288CS..EExtended strand (participates in β ladder)trans-140.6155.1-179.558.8-91.1000112.6L389 N412 L423 F432 V436L389-Y434 CarbonylContact O-C 3.55Å; L389-Y434 VanDerWaalsContact O-CA 3.24Å; L389-Y434 WeakPolarHBondContact O-CA 3.41Å; N412-Y434 HydrophobicContact CB-CE2 4.36Å; N412-Y434 PolarHBondContact ND2-O 3.46Å; L423-Y434 HydrophobicContact CD1-CD1 4.4Å; L423-Y434 HydrophobicContact CD1-CG 4.31Å; L423-Y434 HydrophobicContact CD2-CD1 4.47Å; L423-Y434 HydrophobicContact CD2-CD2 3.42Å; L423-Y434 VanDerWaalsContact CD2-CD2 3.42Å; L423-Y434 HydrophobicContact CD2-CE2 3.5Å; L423-Y434 HydrophobicContact CD2-CG 3.93Å; L423-Y434 HydrophobicContact CG-CD1 4.12Å; L423-Y434 HydrophobicContact CG-CD2 3.97Å; L423-Y434 HydrophobicContact CG-CE1 4.09Å; L423-Y434 HydrophobicContact CG-CE2 3.93Å; L423-Y434 HydrophobicContact CG-CG 4.06Å; F432-Y434 HydrophobicContact CD2-CD1 4.46Å; F432-Y434 HydrophobicContact CE2-CD1 4.07Å; F432-Y434 HydrophobicContact CE2-CG 4.43Å; Y434-V436 HydrophobicContact CD2-CG2 3.79Å; Y434-V436 HydrophobicContact CE2-CG2 3.88Å
435E93.3Very high90.5Very high93 Ų9346.7 Ų46.744%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-121.6119.6170-170.8-166.3174.400108.8L389 V391 K437L389-E435 PolarHBondContact O-N 3.45Å; V391-E435 PolarHBondContact N-O 3.12Å; E435-K437 WeakPolarHBondContact OE1-CE 3.11Å; E435-K437 IonicContact OE1-NZ 3.04Å; E435-K437 WeakPolarHBondContact OE2-CE 3.23Å; E435-K437 IonicContact OE2-NZ 3.98Å; E435-K437 PolarHBondContact OE2-NZ 3.42Å; E435-K437 VanDerWaalsContact OE2-NZ 3.12Å
436V94.1Very high90.1Very high4 Ų445.2 Ų45.22%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-84.8121179.5-176.80000110.3V391 T393 N412 F415 L420 L423 Y434V391-V436 WeakPolarHBondContact O-CA 3.45Å; T393-V436 HydrophobicContact CG2-CG1 3.68Å; N412-V436 PolarHBondContact OD1-N 3.49Å; F415-V436 HydrophobicContact CD2-CB 4.36Å; F415-V436 HydrophobicContact CD2-CG1 4.02Å; F415-V436 HydrophobicContact CE2-CG1 4.25Å; L420-V436 HydrophobicContact CD1-CG1 4.47Å; L420-V436 HydrophobicContact CD1-CG2 3.95Å; L423-V436 HydrophobicContact CD2-CG2 3.92Å; Y434-V436 HydrophobicContact CD2-CG2 3.79Å; Y434-V436 HydrophobicContact CE2-CG2 3.88Å
437K93.6Very high89.8Confident90 Ų9049.7 Ų49.739%0.39128%0.282SS..EExtended strand (participates in β ladder)trans-116.2139.4172.9-67.1-173.7-174.4161.20110.6V390 V391 T392 T393 E435V390-K437 HydrophobicContact CG1-CD 3.72Å; V390-K437 HydrophobicContact CG1-CG 4.19Å; V391-K437 PolarHBondContact O-N 3.21Å; T392-K437 CarbonylContact C-O 3.54Å; T392-K437 WeakPolarHBondContact CA-O 3.41Å; T393-K437 PolarHBondContact N-O 2.96Å; E435-K437 WeakPolarHBondContact OE1-CE 3.11Å; E435-K437 IonicContact OE1-NZ 3.04Å; E435-K437 WeakPolarHBondContact OE2-CE 3.23Å; E435-K437 IonicContact OE2-NZ 3.98Å; E435-K437 PolarHBondContact OE2-NZ 3.42Å; E435-K437 VanDerWaalsContact OE2-NZ 3.12Å
438L93.8Very high89.5Confident59 Ų5952.8 Ų52.831%0.30930%0.297SS..EExtended strand (participates in β ladder)trans-80.3138.3171.3-65.6177000109.1T393 L395 F415 S440T393-L438 HydrophobicContact CG2-CD2 4.06Å; T393-L438 WeakPolarHBondContact O-CA 3.42Å; L395-L438 HydrophobicContact CD1-CD1 4.12Å; L395-L438 HydrophobicContact CD2-CD1 4.34Å; L395-L438 HydrophobicContact CD2-CD2 3.91Å; L395-L438 HydrophobicContact CG-CD1 4.14Å; L395-L438 HydrophobicContact CG-CD2 3.89Å; F415-L438 HydrophobicContact CE1-CD1 3.96Å; F415-L438 HydrophobicContact CE1-CD2 4.03Å; F415-L438 HydrophobicContact CE1-CG 4.16Å; F415-L438 HydrophobicContact CZ-CD1 3.85Å; F415-L438 HydrophobicContact CZ-CD2 4.07Å; F415-L438 HydrophobicContact CZ-CG 3.82Å; L438-S440 PolarHBondContact O-N 3Å
439V94.8Very high89Confident11 Ų1155.8 Ų55.87%0.06731%0.314CS..  trans-56.5136.2174.363.80000110.9T393 I394 D441 G442 M456T393-V439 PolarHBondContact O-N 3.22Å; I394-V439 HydrophobicContact CB-CG1 4.14Å; I394-V439 HydrophobicContact CG1-CG1 4.21Å; V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 WeakPolarHBondContact CG2-OD1 3.41Å; V439-D441 PolarHBondContact O-N 2.97Å; V439-G442 PolarHBondContact O-N 3.45Å; V439-M456 HydrophobicContact CB-CG 3.71Å; V439-M456 HydrophobicContact CG1-CG 4.19Å; V439-M456 HydrophobicContact CG2-CG 3.78Å
440S89.4Confident88.7Confident115 Ų11562.7 Ų62.780%0.80434%0.342SS*.THydrogen-bonded Turntrans-65.2-33.8-169.3-55.80000114.1L438 E459L438-S440 PolarHBondContact O-N 3Å; S440-E459 PolarHBondContact N-OE1 3.49Å; S440-E459 VanDerWaalsContact N-OE1 3.08Å; S440-E459 PolarHBondContact OG-OE1 3.47Å
441D88.1Confident88.4Confident71 Ų7164 Ų6438%0.3836%0.357SS..THydrogen-bonded Turntrans-103.4-1-174.666.80.8000114V439 K443 G455V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 WeakPolarHBondContact CG2-OD1 3.41Å; V439-D441 PolarHBondContact O-N 2.97Å; D441-K443 VanDerWaalsContact C-N 3.26Å; D441-K443 PolarHBondContact O-N 3.12Å; D441-K443 PolarHBondContact OD1-N 3.46Å; D441-G455 VanDerWaalsContact OD1-CA 3.32Å; D441-G455 WeakPolarHBondContact OD1-CA 3.47Å; D441-G455 WeakPolarHBondContact OD2-CA 3.26Å; D441-G455 PolarHBondContact OD2-N 3.08Å
442G87.6Confident88.6Confident47 Ų4768.1 Ų68.149%0.48537%0.367SS..SBendtrans66.121.6-17700000114.6I394 V439I394-G442 VanDerWaalsContact CD1-O 3.26Å; I394-G442 WeakPolarHBondContact CD1-O 3.32Å; V439-G442 PolarHBondContact O-N 3.45Å
443K88.7Confident88.7Confident79 Ų7969.3 Ų69.334%0.34337%0.371SS..  trans-116.9149.9-178.5-63.7-171.9178.5-164.10112.6D441 G455 M456 D642D441-K443 VanDerWaalsContact C-N 3.26Å; D441-K443 PolarHBondContact O-N 3.12Å; D441-K443 PolarHBondContact OD1-N 3.46Å; K443-G455 WeakPolarHBondContact O-CA 3.46Å; K443-M456 PolarHBondContact O-N 2.77Å; K443-D642 IonicContact NZ-OD2 3.27Å; K443-D642 PolarHBondContact NZ-OD2 3.17Å
444Y87.9Confident88.8Confident50 Ų5067.6 Ų67.620%0.19636%0.357CS..  trans-64.8-41.5174.2-71.1-83.6000112.8I394 E396 M456 V457 P471 L472I394-Y444 HydrophobicContact CD1-CD2 4.31Å; I394-Y444 HydrophobicContact CD1-CE2 4.06Å; I394-Y444 HydrophobicContact CG2-CD1 4.4Å; I394-Y444 HydrophobicContact CG2-CE1 3.75Å; E396-Y444 PolarHBondContact OE2-OH 2.96Å; Y444-M456 HydrophobicContact CD1-CE 3.44Å; Y444-M456 VanDerWaalsContact CD1-CE 3.44Å; Y444-M456 HydrophobicContact CE1-CE 4.01Å; Y444-M456 HydrophobicContact CG-CE 4.15Å; Y444-M456 PolarHBondContact O-N 3.36Å; Y444-V457 PolarHBondContact O-N 3.26Å; Y444-P471 HydrophobicContact CE1-CG 4.06Å; Y444-P471 WeakPolarHBondContact CE1-O 3.33Å; Y444-L472 HydrophobicContact CD1-CD1 4.22Å
445G88.3Confident88.8Confident3 Ų365.7 Ų65.73%0.03135%0.351CS..  trans123.8113.6-176.800000111.7N454 R478G445-N454 WeakPolarHBondContact CA-O 3.49Å; G445-N454 WeakPolarHBondContact CA-OD1 3.11Å; G445-R478 PolarHBondContact O-NE 2.83Å; G445-R478 PolarHBondContact O-NH2 3.17Å
446A86.4Confident88.8Confident16 Ų1661.3 Ų61.313%0.13233%0.33CS..  trans-132154.7178.500000109.6N454 D642A446-N454 PolarHBondContact N-OD1 3.06Å; A446-N454 PolarHBondContact O-N 2.97Å; A446-N454 PolarHBondContact O-OD1 2.94Å; A446-N454 VanDerWaalsContact O-OD1 3.08Å; A446-D642 HydrophobicContact CB-CB 4.25Å
447Q86.3Confident88.8Confident96 Ų9661.1 Ų61.145%0.44933%0.329SS..BIsolated β-bridgetrans-92.9126.6179.8-165.5177.228.700109.9G451 E452 W453Q447-G451 VanDerWaalsContact NE2-CA 3.31Å; Q447-G451 PolarHBondContact NE2-O 3.42Å; Q447-E452 WeakPolarHBondContact CA-O 3.46Å; Q447-W453 HydrophobicContact CB-CD2 4.31Å; Q447-W453 HydrophobicContact CB-CE3 4.42Å; Q447-W453 HydrophobicContact CB-CH2 4.46Å; Q447-W453 HydrophobicContact CB-CZ2 4.33Å; Q447-W453 HydrophobicContact CB-CZ3 4.49Å
448N84.4Confident88.7Confident83 Ų8361.4 Ų61.444%0.44433%0.328SS..  trans-71.9165.9171.8-69.3-14.3000110.9K450 G451 E452N448-K450 PolarHBondContact O-N 3.33Å; N448-G451 PolarHBondContact O-N 3.18Å; N448-E452 PolarHBondContact N-O 2.86Å
449D81.1Confident88.6Confident167 Ų16759.8 Ų59.889%0.89332%0.318SS*.THydrogen-bonded Turntrans-59.6-23.1178.8-62.6-41.2000113.4G451D449-G451 VanDerWaalsContact C-N 3.29Å
450K82.2Confident88.5Confident186 Ų18659.2 Ų59.281%0.80932%0.315SS*.THydrogen-bonded Turntrans-80.7-4.1174.4-63.9-177.4-179.7178.70114.2N448N448-K450 PolarHBondContact O-N 3.33Å
451G82.3Confident88.5Confident32 Ų3255 Ų5533%0.3328%0.283SS..SBendtrans880.3-178.600000115.5Q447 N448 D449Q447-G451 VanDerWaalsContact NE2-CA 3.31Å; Q447-G451 PolarHBondContact NE2-O 3.42Å; N448-G451 PolarHBondContact O-N 3.18Å; D449-G451 VanDerWaalsContact C-N 3.29Å
452E88.3Confident88.4Confident120 Ų12054.5 Ų54.556%0.56128%0.281SS*.  trans-78.4142.7178.1-65177159.200111.9Q447 N448Q447-E452 WeakPolarHBondContact CA-O 3.46Å; N448-E452 PolarHBondContact N-O 2.86Å
453W90.6Very high88.2Confident28 Ų2854.5 Ų54.511%0.10627%0.268CS..BIsolated β-bridgetrans-99148.7178.4-72.492.3000111.7Q447 V457 R458 I461 V477 R478 V481Q447-W453 HydrophobicContact CB-CD2 4.31Å; Q447-W453 HydrophobicContact CB-CE3 4.42Å; Q447-W453 HydrophobicContact CB-CH2 4.46Å; Q447-W453 HydrophobicContact CB-CZ2 4.33Å; Q447-W453 HydrophobicContact CB-CZ3 4.49Å; W453-V457 HydrophobicContact CD2-CG1 3.91Å; W453-V457 HydrophobicContact CE3-CB 4.1Å; W453-V457 HydrophobicContact CE3-CG1 3.61Å; W453-V457 HydrophobicContact CG-CG1 4.36Å; W453-V457 HydrophobicContact CZ3-CG1 4.01Å; W453-R458 HydrophobicContact CB-CB 4.31Å; W453-R458 WeakPolarHBondContact O-CB 3.3Å; W453-R458 VanDerWaalsContact O-CD 3.32Å; W453-R458 WeakPolarHBondContact O-CD 3.13Å; W453-R458 WeakPolarHBondContact O-CG 3.35Å; W453-I461 HydrophobicContact CB-CD1 3.99Å; W453-I461 HydrophobicContact CG-CD1 3.86Å; W453-V477 HydrophobicContact CH2-CB 4.22Å; W453-V477 HydrophobicContact CH2-CG1 3.7Å; W453-V477 HydrophobicContact CZ2-CG1 3.71Å; W453-V477 WeakPolarHBondContact CZ2-O 3.34Å; W453-R478 HydrophobicContact CH2-CG 3.89Å; W453-R478 HydrophobicContact CZ3-CG 3.99Å; W453-V481 HydrophobicContact CD2-CG2 4.4Å; W453-V481 HydrophobicContact CH2-CG2 4.43Å; W453-V481 HydrophobicContact CZ2-CG1 4.41Å; W453-V481 HydrophobicContact CZ2-CG2 3.77Å
454N90.9Very high88.1Confident26 Ų2655.2 Ų55.214%0.13928%0.279CS..  trans-121.9-171.7169.76314.1000111.1G445 A446 R458G445-N454 WeakPolarHBondContact CA-O 3.49Å; G445-N454 WeakPolarHBondContact CA-OD1 3.11Å; A446-N454 PolarHBondContact N-OD1 3.06Å; A446-N454 PolarHBondContact O-N 2.97Å; A446-N454 PolarHBondContact O-OD1 2.94Å; A446-N454 VanDerWaalsContact O-OD1 3.08Å; N454-R458 PolarHBondContact O-N 2.93Å
455G92.3Very high88.3Confident4 Ų452.9 Ų52.94%0.04127%0.27CS..Hα-helixtrans65.4-161.2174.500000115.7D441 K443 V457 R458 E459D441-G455 VanDerWaalsContact OD1-CA 3.32Å; D441-G455 WeakPolarHBondContact OD1-CA 3.47Å; D441-G455 WeakPolarHBondContact OD2-CA 3.26Å; D441-G455 PolarHBondContact OD2-N 3.08Å; K443-G455 WeakPolarHBondContact O-CA 3.46Å; G455-V457 PolarHBondContact O-N 3.01Å; G455-R458 WeakPolarHBondContact O-CB 3.32Å; G455-R458 PolarHBondContact O-N 2.81Å; G455-E459 PolarHBondContact O-N 3Å
456M94Very high88.3Confident0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-56.9-35.8177.9-65.8-176.7-75.900112.2T392 I394 V439 K443 Y444 R458 E459 L460 A470 L472T392-M456 HydrophobicContact CG2-CB 4.11Å; T392-M456 HydrophobicContact CG2-CG 4.15Å; I394-M456 HydrophobicContact CB-CE 4.1Å; I394-M456 HydrophobicContact CB-SD 4.29Å; I394-M456 HydrophobicContact CG2-CE 3.77Å; I394-M456 HydrophobicContact CG2-SD 4.35Å; V439-M456 HydrophobicContact CB-CG 3.71Å; V439-M456 HydrophobicContact CG1-CG 4.19Å; V439-M456 HydrophobicContact CG2-CG 3.78Å; K443-M456 PolarHBondContact O-N 2.77Å; Y444-M456 HydrophobicContact CD1-CE 3.44Å; Y444-M456 VanDerWaalsContact CD1-CE 3.44Å; Y444-M456 HydrophobicContact CE1-CE 4.01Å; Y444-M456 HydrophobicContact CG-CE 4.15Å; Y444-M456 PolarHBondContact O-N 3.36Å; M456-R458 VanDerWaalsContact C-N 3.28Å; M456-R458 PolarHBondContact O-N 3.11Å; M456-E459 PolarHBondContact O-N 2.91Å; M456-L460 WeakPolarHBondContact O-CG 3.25Å; M456-L460 PolarHBondContact O-N 2.79Å; M456-A470 HydrophobicContact CE-CB 3.77Å; M456-A470 HydrophobicContact SD-CB 3.7Å; M456-L472 HydrophobicContact CE-CD1 4.43Å
457V93.5Very high88.7Confident0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-60.2-39.8176.1177.60000111.1Y444 W453 G455 I461 R478 V481 I482Y444-V457 PolarHBondContact O-N 3.26Å; W453-V457 HydrophobicContact CD2-CG1 3.91Å; W453-V457 HydrophobicContact CE3-CB 4.1Å; W453-V457 HydrophobicContact CE3-CG1 3.61Å; W453-V457 HydrophobicContact CG-CG1 4.36Å; W453-V457 HydrophobicContact CZ3-CG1 4.01Å; G455-V457 PolarHBondContact O-N 3.01Å; V457-I461 HydrophobicContact CG1-CD1 3.8Å; V457-I461 HydrophobicContact CG1-CG1 4.5Å; V457-I461 WeakPolarHBondContact O-CB 3.39Å; V457-I461 WeakPolarHBondContact O-CD1 3.4Å; V457-I461 WeakPolarHBondContact O-CG1 3.45Å; V457-I461 PolarHBondContact O-N 3.34Å; V457-R478 HydrophobicContact CG2-CG 4.1Å; V457-V481 HydrophobicContact CG1-CG2 3.9Å; V457-I482 HydrophobicContact CG1-CD1 4.28Å; V457-I482 HydrophobicContact CG1-CG2 4.35Å; V457-I482 HydrophobicContact CG2-CD1 4.11Å
458R91.9Very high89.2Confident97 Ų9748.5 Ų48.537%0.36625%0.246SC..Hα-helixtrans-69.6-39.4177.3-178.160.9-172.8-171.78.9112.4W453 N454 G455 M456 L460 I461 D462W453-R458 HydrophobicContact CB-CB 4.31Å; W453-R458 WeakPolarHBondContact O-CB 3.3Å; W453-R458 VanDerWaalsContact O-CD 3.32Å; W453-R458 WeakPolarHBondContact O-CD 3.13Å; W453-R458 WeakPolarHBondContact O-CG 3.35Å; N454-R458 PolarHBondContact O-N 2.93Å; G455-R458 WeakPolarHBondContact O-CB 3.32Å; G455-R458 PolarHBondContact O-N 2.81Å; M456-R458 VanDerWaalsContact C-N 3.28Å; M456-R458 PolarHBondContact O-N 3.11Å; R458-L460 VanDerWaalsContact C-N 3.3Å; R458-L460 PolarHBondContact O-N 3.06Å; R458-I461 PolarHBondContact O-N 3.01Å; R458-D462 VanDerWaalsContact CZ-CG 3.49Å; R458-D462 IonicContact CZ-OD1 3.56Å; R458-D462 IonicContact CZ-OD2 3.71Å; R458-D462 VanDerWaalsContact NE-CG 3.29Å; R458-D462 IonicContact NE-OD1 3.71Å; R458-D462 PolarHBondContact NE-OD1 3.34Å; R458-D462 IonicContact NE-OD2 2.78Å; R458-D462 PolarHBondContact NE-OD2 2.91Å; R458-D462 IonicContact NH1-OD1 2.68Å; R458-D462 VanDerWaalsContact NH2-CG 3.3Å; R458-D462 IonicContact NH2-OD1 2.78Å; R458-D462 PolarHBondContact NH2-OD1 3Å; R458-D462 IonicContact NH2-OD2 3.99Å; R458-D462 PolarHBondContact NH2-OD2 3.26Å; R458-D462 WeakPolarHBondContact O-CB 3.28Å; R458-D462 PolarHBondContact O-N 2.88Å
459E92.8Very high89.7Confident24 Ų2444.7 Ų44.711%0.11223%0.226CC..Hα-helixtrans-61.6-38.7177.4-68.8-178.5174.800111.8T392 S440 G455 M456 H463 V464 A465T392-E459 VanDerWaalsContact CB-OE2 3.27Å; T392-E459 WeakPolarHBondContact CB-OE2 3.29Å; T392-E459 PolarHBondContact OG1-OE2 2.82Å; S440-E459 PolarHBondContact N-OE1 3.49Å; S440-E459 VanDerWaalsContact N-OE1 3.08Å; S440-E459 PolarHBondContact OG-OE1 3.47Å; G455-E459 PolarHBondContact O-N 3Å; M456-E459 PolarHBondContact O-N 2.91Å; E459-H463 PolarHBondContact O-N 3.35Å; E459-H463 VanDerWaalsContact O-N 3.14Å; E459-V464 HydrophobicContact CB-CB 4.29Å; E459-V464 PolarHBondContact O-N 3.36Å; E459-A465 HydrophobicContact CB-CB 4.4Å; E459-A465 PolarHBondContact O-N 3.45Å
460L91.8Very high90.4Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-68.4-42172.3-68.1-179000112.8M456 R458 D462 H463 A465 A468 I482 P724M456-L460 WeakPolarHBondContact O-CG 3.25Å; M456-L460 PolarHBondContact O-N 2.79Å; R458-L460 VanDerWaalsContact C-N 3.3Å; R458-L460 PolarHBondContact O-N 3.06Å; L460-D462 PolarHBondContact O-N 3.36Å; L460-H463 PolarHBondContact O-N 3.15Å; L460-A465 HydrophobicContact CD2-CB 4.4Å; L460-A465 WeakPolarHBondContact CD2-O 3.38Å; L460-A468 HydrophobicContact CD1-CB 3.67Å; L460-A468 HydrophobicContact CD2-CB 4.15Å; L460-A468 HydrophobicContact CG-CB 4.1Å; L460-I482 HydrophobicContact CB-CG2 3.81Å; L460-I482 HydrophobicContact CD1-CB 4.47Å; L460-I482 HydrophobicContact CD1-CD1 3.84Å; L460-I482 HydrophobicContact CD1-CG2 4.23Å; L460-P724 HydrophobicContact CD2-CG 4.4Å
461I89.6Confident90.9Very high26 Ų2628 Ų2813%0.13315%0.146CC..Hα-helixtrans-61.4-36177.7-74.5166.2000111.2K184 W453 V457 R458 V481 I482K184-I461 PolarHBondContact NZ-O 2.96Å; W453-I461 HydrophobicContact CB-CD1 3.99Å; W453-I461 HydrophobicContact CG-CD1 3.86Å; V457-I461 HydrophobicContact CG1-CD1 3.8Å; V457-I461 HydrophobicContact CG1-CG1 4.5Å; V457-I461 WeakPolarHBondContact O-CB 3.39Å; V457-I461 WeakPolarHBondContact O-CD1 3.4Å; V457-I461 WeakPolarHBondContact O-CG1 3.45Å; V457-I461 PolarHBondContact O-N 3.34Å; R458-I461 PolarHBondContact O-N 3.01Å; I461-V481 HydrophobicContact CD1-CB 3.8Å; I461-V481 HydrophobicContact CD1-CG2 3.81Å; I461-V481 HydrophobicContact CG1-CB 4.2Å; I461-V481 HydrophobicContact CG1-CG2 4.44Å; I461-I482 HydrophobicContact CG1-CG2 3.83Å
462D85.8Confident91.5Very high60 Ų6026.4 Ų26.432%0.32113%0.13SC..THydrogen-bonded Turntrans-92.63.2-178.9-72.5-9.3000113.4K184 R458 L460 V464K184-D462 IonicContact NZ-OD1 3.92Å; K184-D462 PolarHBondContact NZ-OD1 3.43Å; R458-D462 VanDerWaalsContact CZ-CG 3.49Å; R458-D462 IonicContact CZ-OD1 3.56Å; R458-D462 IonicContact CZ-OD2 3.71Å; R458-D462 VanDerWaalsContact NE-CG 3.29Å; R458-D462 IonicContact NE-OD1 3.71Å; R458-D462 PolarHBondContact NE-OD1 3.34Å; R458-D462 IonicContact NE-OD2 2.78Å; R458-D462 PolarHBondContact NE-OD2 2.91Å; R458-D462 IonicContact NH1-OD1 2.68Å; R458-D462 VanDerWaalsContact NH2-CG 3.3Å; R458-D462 IonicContact NH2-OD1 2.78Å; R458-D462 PolarHBondContact NH2-OD1 3Å; R458-D462 IonicContact NH2-OD2 3.99Å; R458-D462 PolarHBondContact NH2-OD2 3.26Å; R458-D462 WeakPolarHBondContact O-CB 3.28Å; R458-D462 PolarHBondContact O-N 2.88Å; L460-D462 PolarHBondContact O-N 3.36Å; D462-V464 HydrophobicContact CB-CG2 4.08Å; D462-V464 PolarHBondContact O-N 3.44Å
463H84.2Confident91.7Very high47 Ų4720.9 Ų20.922%0.21810%0.104CC..THydrogen-bonded Turntrans53.834.8-177-57.3-92.3000113F186 Y213 E459 L460 P724F186-H463 AromaticContact CZ-CD2 3.85Å; F186-H463 AromaticContact CZ-NE2 3.43Å; F186-H463 WeakPolarHBondContact CZ-NE2 3.48Å; Y213-H463 AromaticContact CD1-CE1 3.67Å; Y213-H463 AromaticContact CD1-ND1 3.79Å; Y213-H463 HydrophobicContact CD2-CB 4.45Å; Y213-H463 AromaticContact CD2-ND1 3.64Å; Y213-H463 AromaticContact CE1-CE1 3.66Å; Y213-H463 AromaticContact CE1-ND1 3.5Å; Y213-H463 WeakPolarHBondContact CE1-ND1 3.48Å; Y213-H463 HydrophobicContact CE2-CB 4.16Å; Y213-H463 AromaticContact CE2-ND1 3.37Å; Y213-H463 WeakPolarHBondContact CE2-ND1 3.4Å; Y213-H463 AromaticContact CG-CE1 3.94Å; Y213-H463 AromaticContact CG-ND1 3.87Å; Y213-H463 AromaticContact CZ-CE1 3.97Å; Y213-H463 AromaticContact CZ-ND1 3.3Å; Y213-H463 VanDerWaalsContact CZ-ND1 3.3Å; E459-H463 PolarHBondContact O-N 3.35Å; E459-H463 VanDerWaalsContact O-N 3.14Å; L460-H463 PolarHBondContact O-N 3.15Å; H463-P724 VanDerWaalsContact CE1-CB 3.42Å; H463-P724 WeakPolarHBondContact CE1-CB 3.44Å
464V86.6Confident91.9Very high95 Ų9521.6 Ų21.658%0.57611%0.11SC*.SBendtrans-78.3-30.1169.7177.50000110.2E459 D462E459-V464 HydrophobicContact CB-CB 4.29Å; E459-V464 PolarHBondContact O-N 3.36Å; D462-V464 HydrophobicContact CB-CG2 4.08Å; D462-V464 PolarHBondContact O-N 3.44Å
465A90.3Very high91.9Very high1 Ų121.7 Ų21.71%0.00811%0.111CC..  trans-126145.5171.900000109.9V390 T392 E459 L460V390-A465 HydrophobicContact CG1-CB 4.41Å; T392-A465 HydrophobicContact CG2-CB 3.6Å; E459-A465 HydrophobicContact CB-CB 4.4Å; E459-A465 PolarHBondContact O-N 3.45Å; L460-A465 HydrophobicContact CD2-CB 4.4Å; L460-A465 WeakPolarHBondContact CD2-O 3.38Å
466D90Very high91.7Very high21 Ų2129.2 Ų29.211%0.11214%0.139CC..SBendtrans-89.5-33.2-178-56.6-50.2000111.5Y213 L389 V390 P724Y213-D466 PolarHBondContact OH-OD1 3.22Å; L389-D466 HydrophobicContact CB-CB 4.44Å; L389-D466 HydrophobicContact CD2-CB 4.34Å; V390-D466 PolarHBondContact N-OD2 2.85Å; V390-D466 PolarHBondContact O-N 3.4Å; D466-P724 WeakPolarHBondContact O-CD 3.43Å
467L93.7Very high91.5Very high1 Ų130.9 Ų30.91%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-136.4146.7176.8-76.988.1000110.6L389 V390 V391 T392 V721 Y729 V733L389-L467 HydrophobicContact CB-CD1 4.2Å; L389-L467 HydrophobicContact CD1-CD1 3.57Å; L389-L467 HydrophobicContact CG-CD1 4.35Å; V390-L467 PolarHBondContact O-N 3.04Å; V391-L467 CarbonylContact C-O 3.52Å; V391-L467 WeakPolarHBondContact CA-O 3.4Å; V391-L467 HydrophobicContact CG2-CB 4.35Å; T392-L467 PolarHBondContact N-O 3.29Å; L467-V721 HydrophobicContact CD2-CG1 4.1Å; L467-Y729 HydrophobicContact CD1-CD2 4.44Å; L467-V733 HydrophobicContact CD2-CG2 3.99Å
468A96.4Very high91.5Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-113.8104.916700000109.5T392 L460 L472 G722T392-A468 HydrophobicContact CG2-CB 3.69Å; T392-A468 WeakPolarHBondContact O-CA 3.49Å; L460-A468 HydrophobicContact CD1-CB 3.67Å; L460-A468 HydrophobicContact CD2-CB 4.15Å; L460-A468 HydrophobicContact CG-CB 4.1Å; A468-L472 HydrophobicContact CB-CD2 4.44Å; A468-G722 PolarHBondContact N-O 2.62Å; A468-G722 PolarHBondContact O-N 3.37Å
469V96.2Very high91.4Very high4 Ų431.9 Ų31.92%0.02416%0.158CC..  trans-107.197.8174.9-1740000108.3V391 T392 T393 C419 L422 L423 V721V391-V469 HydrophobicContact CG1-CB 3.9Å; V391-V469 HydrophobicContact CG1-CG2 3.86Å; T392-V469 PolarHBondContact O-N 3.21Å; T393-V469 WeakPolarHBondContact CB-O 3.2Å; T393-V469 PolarHBondContact OG1-O 2.92Å; C419-V469 HydrophobicContact CB-CG1 4.12Å; L422-V469 HydrophobicContact CD2-CG1 4.42Å; L423-V469 HydrophobicContact CB-CG1 4.48Å; L423-V469 HydrophobicContact CD1-CG2 4.15Å; V469-V721 HydrophobicContact CG2-CG1 3.95Å; V469-V721 HydrophobicContact CG2-CG2 4.37Å
470A94.9Very high91.3Very high0 Ų036.7 Ų36.70%018%0.179CC..SBendtrans-155.9170.6-174.300000109.1I394 M456 L472I394-A470 HydrophobicContact CG2-CB 4.31Å; M456-A470 HydrophobicContact CE-CB 3.77Å; M456-A470 HydrophobicContact SD-CB 3.7Å; A470-L472 PolarHBondContact O-N 3.26Å
471P93.4Very high91.2Very high1 Ų138.7 Ų38.71%0.00619%0.191CC..SBendtrans-69.562.1166.529-34000111E396 Y399 Y444 Y719E396-P471 HydrophobicContact CB-CG 4.43Å; Y399-P471 HydrophobicContact CD1-CB 3.9Å; Y399-P471 HydrophobicContact CD1-CG 4.16Å; Y399-P471 HydrophobicContact CD2-CB 3.97Å; Y399-P471 HydrophobicContact CD2-CG 3.67Å; Y399-P471 HydrophobicContact CE1-CB 3.89Å; Y399-P471 HydrophobicContact CE2-CB 3.96Å; Y399-P471 HydrophobicContact CE2-CG 4.11Å; Y399-P471 HydrophobicContact CG-CB 3.94Å; Y399-P471 HydrophobicContact CG-CG 3.7Å; Y444-P471 HydrophobicContact CE1-CG 4.06Å; Y444-P471 WeakPolarHBondContact CE1-O 3.33Å; P471-Y719 VanDerWaalsContact C-CD1 3.41Å; P471-Y719 HydrophobicContact CB-CD1 4.24Å; P471-Y719 HydrophobicContact CB-CD2 4Å; P471-Y719 HydrophobicContact CB-CE1 3.89Å; P471-Y719 HydrophobicContact CB-CE2 3.63Å; P471-Y719 HydrophobicContact CB-CG 4.3Å; P471-Y719 WeakPolarHBondContact O-CE1 3.2Å
472L93.8Very high91.5Very high0 Ų037.4 Ų37.40%018%0.184CC..  trans-92.5105.3-176.3-173.664000109.6Y444 M456 A468 A470 I474 I482 F484 G720Y444-L472 HydrophobicContact CD1-CD1 4.22Å; M456-L472 HydrophobicContact CE-CD1 4.43Å; A468-L472 HydrophobicContact CB-CD2 4.44Å; A470-L472 PolarHBondContact O-N 3.26Å; L472-I474 PolarHBondContact O-N 2.8Å; L472-I482 HydrophobicContact CD2-CD1 4.35Å; L472-F484 HydrophobicContact CD2-CE1 3.66Å; L472-F484 HydrophobicContact CD2-CZ 3.99Å; L472-F484 HydrophobicContact CG-CE1 3.93Å; L472-F484 HydrophobicContact CG-CZ 4.24Å; L472-G720 PolarHBondContact O-N 2.81Å
473T93.4Very high91.8Very high4 Ų435.8 Ų35.83%0.02518%0.175CC..BIsolated β-bridgetrans-61.5125.9177.6-26.50000111T475 R478 S644 E693 K717T473-T475 PolarHBondContact O-N 3.01Å; T473-R478 PolarHBondContact O-NH1 2.86Å; T473-S644 PolarHBondContact OG1-OG 3.49Å; T473-E693 PolarHBondContact OG1-OE1 2.86Å; T473-K717 HydrophobicContact CG2-CB 4.09Å; T473-K717 HydrophobicContact CG2-CD 3.76Å; T473-K717 HydrophobicContact CG2-CG 4.19Å
474I94Very high92.4Very high42 Ų4234.6 Ų34.622%0.21517%0.17CC..  trans-68.8122.7172.3-54.6173.7000108.2L472 F484 P487 G718L472-I474 PolarHBondContact O-N 2.8Å; I474-F484 HydrophobicContact CD1-CB 4.31Å; I474-F484 HydrophobicContact CG1-CB 4.28Å; I474-F484 HydrophobicContact CG1-CD1 3.8Å; I474-F484 HydrophobicContact CG1-CE1 4.22Å; I474-F484 HydrophobicContact CG1-CG 3.98Å; I474-F484 HydrophobicContact CG2-CB 4.44Å; I474-F484 HydrophobicContact CG2-CD2 4.05Å; I474-F484 HydrophobicContact CG2-CE2 4.49Å; I474-F484 HydrophobicContact CG2-CG 4.16Å; I474-P487 HydrophobicContact CD1-CB 4.02Å; I474-G718 PolarHBondContact N-O 2.86Å
475T91.3Very high92.8Very high28 Ų2830.3 Ų30.317%0.17214%0.144CC..  trans-137.1149176.766.40000110.1T473 V477 R478 E479T473-T475 PolarHBondContact O-N 3.01Å; T475-V477 PolarHBondContact O-N 3.46Å; T475-V477 VanDerWaalsContact O-N 3.08Å; T475-R478 PolarHBondContact O-N 3.23Å; T475-R478 WeakPolarHBondContact OG1-CG 3.46Å; T475-R478 PolarHBondContact OG1-N 3.07Å; T475-E479 PolarHBondContact O-N 3.36Å
476Y89Confident93Very high162 Ų16236.1 Ų36.164%0.63517%0.169SC*.Hα-helixtrans-53.9-32.7178.3176.4-107.4000113.7K480Y476-K480 HydrophobicContact CE1-CD 4.35Å; Y476-K480 VanDerWaalsContact CE1-NZ 3.29Å; Y476-K480 WeakPolarHBondContact O-CG 3.23Å; Y476-K480 PolarHBondContact O-N 2.77Å; Y476-K480 WeakPolarHBondContact OH-CE 3.37Å; Y476-K480 PolarHBondContact OH-NZ 2.93Å
477V89.6Confident93.2Very high36 Ų3637.9 Ų37.922%0.21818%0.182CC..Hα-helixtrans-73.4-36.5-179.4-165.50000111.1W453 T475 K651W453-V477 HydrophobicContact CH2-CB 4.22Å; W453-V477 HydrophobicContact CH2-CG1 3.7Å; W453-V477 HydrophobicContact CZ2-CG1 3.71Å; W453-V477 WeakPolarHBondContact CZ2-O 3.34Å; T475-V477 PolarHBondContact O-N 3.46Å; T475-V477 VanDerWaalsContact O-N 3.08Å; V477-K651 VanDerWaalsContact CG2-NZ 3.35Å
478R91.8Very high93.3Very high11 Ų1138.1 Ų38.14%0.04218%0.183CC..Hα-helixtrans-75.4-40.1177-68.6176.9178.2161.3-5111.5G445 W453 V457 T473 T475 K480 V481 I482 F484G445-R478 PolarHBondContact O-NE 2.83Å; G445-R478 PolarHBondContact O-NH2 3.17Å; W453-R478 HydrophobicContact CH2-CG 3.89Å; W453-R478 HydrophobicContact CZ3-CG 3.99Å; V457-R478 HydrophobicContact CG2-CG 4.1Å; T473-R478 PolarHBondContact O-NH1 2.86Å; T475-R478 PolarHBondContact O-N 3.23Å; T475-R478 WeakPolarHBondContact OG1-CG 3.46Å; T475-R478 PolarHBondContact OG1-N 3.07Å; R478-K480 PolarHBondContact O-N 3.38Å; R478-K480 VanDerWaalsContact O-N 3.12Å; R478-V481 WeakPolarHBondContact O-CG2 3.33Å; R478-V481 PolarHBondContact O-N 2.91Å; R478-I482 HydrophobicContact CB-CG1 4.4Å; R478-I482 VanDerWaalsContact O-CG1 3.25Å; R478-I482 WeakPolarHBondContact O-CG1 3.37Å; R478-I482 PolarHBondContact O-N 3.32Å; R478-F484 HydrophobicContact CB-CE2 3.7Å; R478-F484 HydrophobicContact CB-CZ 3.92Å
479E90.9Very high93.2Very high107 Ų10738.8 Ų38.850%0.519%0.186SC..Hα-helixtrans-61.7-20.5178.2-164.9177-167.600113.2T475 V481 I482 F484T475-E479 PolarHBondContact O-N 3.36Å; E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.43Å; E479-I482 CarbonylContact C-O 3.6Å; E479-I482 VanDerWaalsContact CA-O 3.28Å; E479-I482 WeakPolarHBondContact CA-O 3.28Å; E479-F484 HydrophobicContact CB-CD2 4.44Å
480K90.2Very high93Very high125 Ų12543.9 Ų43.954%0.54322%0.217SC..THydrogen-bonded Turntrans-70.6-22172.4-78.4-174.7-179.9-173.30114.7Y476 R478Y476-K480 HydrophobicContact CE1-CD 4.35Å; Y476-K480 VanDerWaalsContact CE1-NZ 3.29Å; Y476-K480 WeakPolarHBondContact O-CG 3.23Å; Y476-K480 PolarHBondContact O-N 2.77Å; Y476-K480 WeakPolarHBondContact OH-CE 3.37Å; Y476-K480 PolarHBondContact OH-NZ 2.93Å; R478-K480 PolarHBondContact O-N 3.38Å; R478-K480 VanDerWaalsContact O-N 3.12Å
481V91.1Very high93Very high41 Ų4144.2 Ų44.225%0.24822%0.219CC..THydrogen-bonded Turntrans-122.1-23.1-170-65.30000113.4W453 V457 I461 R478 E479W453-V481 HydrophobicContact CD2-CG2 4.4Å; W453-V481 HydrophobicContact CH2-CG2 4.43Å; W453-V481 HydrophobicContact CZ2-CG1 4.41Å; W453-V481 HydrophobicContact CZ2-CG2 3.77Å; V457-V481 HydrophobicContact CG1-CG2 3.9Å; I461-V481 HydrophobicContact CD1-CB 3.8Å; I461-V481 HydrophobicContact CD1-CG2 3.81Å; I461-V481 HydrophobicContact CG1-CB 4.2Å; I461-V481 HydrophobicContact CG1-CG2 4.44Å; R478-V481 WeakPolarHBondContact O-CG2 3.33Å; R478-V481 PolarHBondContact O-N 2.91Å; E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.43Å
482I94.1Very high93Very high0 Ų044.2 Ų44.20%022%0.219CC..EExtended strand (participates in β ladder)trans-136.3155.2174.658.1167.4000108.9V457 L460 I461 L472 R478 E479 F484 T723V457-I482 HydrophobicContact CG1-CD1 4.28Å; V457-I482 HydrophobicContact CG1-CG2 4.35Å; V457-I482 HydrophobicContact CG2-CD1 4.11Å; L460-I482 HydrophobicContact CB-CG2 3.81Å; L460-I482 HydrophobicContact CD1-CB 4.47Å; L460-I482 HydrophobicContact CD1-CD1 3.84Å; L460-I482 HydrophobicContact CD1-CG2 4.23Å; I461-I482 HydrophobicContact CG1-CG2 3.83Å; L472-I482 HydrophobicContact CD2-CD1 4.35Å; R478-I482 HydrophobicContact CB-CG1 4.4Å; R478-I482 VanDerWaalsContact O-CG1 3.25Å; R478-I482 WeakPolarHBondContact O-CG1 3.37Å; R478-I482 PolarHBondContact O-N 3.32Å; E479-I482 CarbonylContact C-O 3.6Å; E479-I482 VanDerWaalsContact CA-O 3.28Å; E479-I482 WeakPolarHBondContact CA-O 3.28Å; I482-F484 HydrophobicContact CD1-CE1 4.31Å; I482-F484 HydrophobicContact CD1-CE2 3.88Å; I482-F484 HydrophobicContact CD1-CZ 3.63Å; I482-F484 HydrophobicContact CG1-CE2 3.87Å; I482-F484 HydrophobicContact CG1-CZ 4.17Å; I482-T723 WeakPolarHBondContact CB-O 3.35Å
483D93.9Very high93Very high25 Ų2544.2 Ų44.213%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-94.6147.9175.6-77.9-10.3000110.4T723 G726 R730D483-T723 PolarHBondContact N-O 3.25Å; D483-T723 PolarHBondContact O-N 3.45Å; D483-T723 VanDerWaalsContact O-O 3.08Å; D483-T723 PolarHBondContact O-OG1 3.24Å; D483-T723 VanDerWaalsContact O-OG1 3.11Å; D483-G726 PolarHBondContact OD2-N 3.3Å; D483-R730 HydrophobicContact CB-CG 4.37Å; D483-R730 IonicContact OD2-NH1 3.78Å; D483-R730 PolarHBondContact OD2-NH1 3.42Å
484F95.4Very high93Very high22 Ų2244 Ų4410%0.09622%0.218CC..EExtended strand (participates in β ladder)trans-114.7149.7175.7-74.7-84.7000111.7L472 I474 R478 E479 I482 V721L472-F484 HydrophobicContact CD2-CE1 3.66Å; L472-F484 HydrophobicContact CD2-CZ 3.99Å; L472-F484 HydrophobicContact CG-CE1 3.93Å; L472-F484 HydrophobicContact CG-CZ 4.24Å; I474-F484 HydrophobicContact CD1-CB 4.31Å; I474-F484 HydrophobicContact CG1-CB 4.28Å; I474-F484 HydrophobicContact CG1-CD1 3.8Å; I474-F484 HydrophobicContact CG1-CE1 4.22Å; I474-F484 HydrophobicContact CG1-CG 3.98Å; I474-F484 HydrophobicContact CG2-CB 4.44Å; I474-F484 HydrophobicContact CG2-CD2 4.05Å; I474-F484 HydrophobicContact CG2-CE2 4.49Å; I474-F484 HydrophobicContact CG2-CG 4.16Å; R478-F484 HydrophobicContact CB-CE2 3.7Å; R478-F484 HydrophobicContact CB-CZ 3.92Å; E479-F484 HydrophobicContact CB-CD2 4.44Å; I482-F484 HydrophobicContact CD1-CE1 4.31Å; I482-F484 HydrophobicContact CD1-CE2 3.88Å; I482-F484 HydrophobicContact CD1-CZ 3.63Å; I482-F484 HydrophobicContact CG1-CE2 3.87Å; I482-F484 HydrophobicContact CG1-CZ 4.17Å; F484-V721 WeakPolarHBondContact CA-O 3.46Å
485S94.9Very high92.9Very high6 Ų642.2 Ų42.24%0.04221%0.208CC..PPolyproline II helixtrans-69.2173.416272.30000111.5V721 T734 I737S485-V721 PolarHBondContact N-O 3.48Å; S485-V721 PolarHBondContact OG-N 3.12Å; S485-T734 WeakPolarHBondContact CA-OG1 3.35Å; S485-I737 VanDerWaalsContact OG-CD1 3.25Å; S485-I737 WeakPolarHBondContact OG-CD1 3.42Å
486K94.5Very high93Very high123 Ų12340.9 Ų40.954%0.53520%0.2SC..SBendtrans-57145.7160.4-68.1-69.4179.9-173.20110.2F488 T734K486-F488 PolarHBondContact O-N 2.91Å; K486-T734 HydrophobicContact CB-CG2 4Å; K486-T734 HydrophobicContact CG-CG2 3.41Å; K486-T734 VanDerWaalsContact CG-CG2 3.41Å
487P95.7Very high93.2Very high57 Ų5733.5 Ų33.537%0.3717%0.171SC..PPolyproline II helixtrans-66.5132.8-177.626.7-33.5000110.5I474 Y719I474-P487 HydrophobicContact CD1-CB 4.02Å; P487-Y719 CarbonylContact C-O 3.59Å; P487-Y719 WeakPolarHBondContact CA-O 3.39Å; P487-Y719 WeakPolarHBondContact CB-O 3.43Å
488F94.8Very high93.1Very high6 Ų633.9 Ų33.93%0.02617%0.171CC..SBendtrans-89.4-15.2176.764.9-98.7000112.5Y418 L422 K486 Y719 V721 I737 L746Y418-F488 HydrophobicContact CD1-CE2 4.43Å; Y418-F488 AromaticContact CE1-CD2 3.89Å; Y418-F488 HydrophobicContact CE1-CD2 3.89Å; Y418-F488 AromaticContact CE1-CE2 3.67Å; Y418-F488 HydrophobicContact CE1-CE2 3.67Å; L422-F488 HydrophobicContact CD2-CB 4.49Å; L422-F488 HydrophobicContact CD2-CD1 4.08Å; L422-F488 HydrophobicContact CD2-CD2 3.99Å; L422-F488 HydrophobicContact CD2-CE1 4.29Å; L422-F488 HydrophobicContact CD2-CE2 4.23Å; L422-F488 HydrophobicContact CD2-CG 3.92Å; L422-F488 HydrophobicContact CD2-CZ 4.36Å; K486-F488 PolarHBondContact O-N 2.91Å; F488-Y719 WeakPolarHBondContact CD1-O 3.3Å; F488-Y719 HydrophobicContact CE2-CD2 4.42Å; F488-Y719 HydrophobicContact CZ-CD2 4.35Å; F488-Y719 HydrophobicContact CZ-CG 4.29Å; F488-Y719 PolarHBondContact N-O 2.86Å; F488-V721 HydrophobicContact CD1-CG2 4.31Å; F488-I737 HydrophobicContact CB-CG2 3.88Å; F488-L746 HydrophobicContact CB-CD1 4.28Å; F488-L746 HydrophobicContact CB-CD2 4.28Å
489M94Very high92.8Very high15 Ų1536.1 Ų36.17%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-147.9126.8177.5-174.8173.7-72.800109.6Y418 T695 G718 Y719 K750 W754Y418-M489 HydrophobicContact CE1-CE 3.87Å; Y418-M489 HydrophobicContact CE2-CE 4.01Å; M489-T695 HydrophobicContact CG-CG2 4.21Å; M489-T695 HydrophobicContact SD-CG2 3.65Å; M489-G718 CarbonylContact O-C 3.55Å; M489-G718 WeakPolarHBondContact O-CA 3.29Å; M489-Y719 HydrophobicContact CB-CD2 4.4Å; M489-Y719 PolarHBondContact O-N 3.35Å; M489-Y719 HydrophobicContact SD-CD2 4.38Å; M489-K750 HydrophobicContact CE-CB 4.41Å; M489-K750 HydrophobicContact CE-CD 4.4Å; M489-K750 HydrophobicContact CE-CG 4.14Å; M489-W754 HydrophobicContact CE-CH2 4.02Å; M489-W754 HydrophobicContact CE-CZ3 4.22Å; M489-W754 HydrophobicContact SD-CH2 4.34Å; M489-W754 HydrophobicContact SD-CZ2 4.44Å
490T93.3Very high92Very high111 Ų11132.4 Ų32.468%0.68117%0.166SC*.EExtended strand (participates in β ladder)trans-94.1139.4175510000110.5K717T490-K717 WeakPolarHBondContact CA-O 3.32Å
491L93.4Very high90.9Very high7 Ų733.7 Ų33.74%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-158.6177.3-174.160.9101000110.5E693 T695 K717 Y719L491-E693 HydrophobicContact CD1-CB 3.93Å; L491-E693 HydrophobicContact CD1-CG 3.72Å; L491-T695 HydrophobicContact CB-CG2 3.75Å; L491-T695 HydrophobicContact CD2-CG2 4.23Å; L491-K717 HydrophobicContact CD1-CB 4.21Å; L491-K717 PolarHBondContact N-O 3.4Å; L491-K717 CarbonylContact O-C 3.58Å; L491-K717 WeakPolarHBondContact O-CA 3.47Å; L491-K717 PolarHBondContact O-N 3.42Å; L491-Y719 HydrophobicContact CD1-CE1 4.36Å; L491-Y719 HydrophobicContact CD2-CD1 3.73Å; L491-Y719 HydrophobicContact CD2-CD2 3.38Å; L491-Y719 HydrophobicContact CD2-CE1 3.55Å; L491-Y719 HydrophobicContact CD2-CE2 3.17Å; L491-Y719 HydrophobicContact CD2-CG 3.64Å
492G93.1Very high89.4Confident0 Ų033.8 Ų33.80%019%0.188CC..  trans-154.1171.8174.400000111.1E693 S694 L713 D715G492-E693 CarbonylContact O-C 3.55Å; G492-E693 WeakPolarHBondContact O-CA 3.4Å; G492-S694 PolarHBondContact N-OG 3.14Å; G492-S694 WeakPolarHBondContact O-CB 3.46Å; G492-S694 PolarHBondContact O-N 2.98Å; G492-S694 PolarHBondContact O-OG 2.68Å; G492-L713 VanDerWaalsContact N-CD2 3.29Å; G492-D715 WeakPolarHBondContact CA-O 3.22Å; G492-D715 VanDerWaalsContact CA-OD1 3.22Å; G492-D715 WeakPolarHBondContact CA-OD1 3.38Å
493I93.8Very high87.6Confident0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-70.5132.4170.2-56.1162.3000107.6T645 F648 F649 L691 I714 D715 K717I493-T645 HydrophobicContact CD1-CG2 3.84Å; I493-T645 HydrophobicContact CG1-CG2 4.03Å; I493-T645 HydrophobicContact CG2-CG2 3.91Å; I493-F648 HydrophobicContact CD1-CB 4.38Å; I493-F648 HydrophobicContact CD1-CD1 3.51Å; I493-F648 HydrophobicContact CD1-CE1 3.91Å; I493-F648 HydrophobicContact CD1-CG 3.98Å; I493-F649 HydrophobicContact CD1-CE2 4.16Å; I493-F649 HydrophobicContact CG2-CE2 4.48Å; I493-L691 HydrophobicContact CG2-CB 4.23Å; I493-L691 HydrophobicContact CG2-CD2 4.49Å; I493-I714 HydrophobicContact CB-CB 4.21Å; I493-I714 HydrophobicContact CG2-CD1 4.1Å; I493-I714 WeakPolarHBondContact O-CB 3.25Å; I493-I714 PolarHBondContact O-N 3.38Å; I493-D715 VanDerWaalsContact CD1-OD2 3.31Å; I493-D715 WeakPolarHBondContact CD1-OD2 3.31Å; I493-D715 PolarHBondContact N-OD1 3.45Å; I493-K717 VanDerWaalsContact CD1-NZ 3.35Å
494S93.5Very high86Confident0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-136.7179.3169.1-166.10000109.6M692 Q709 I710 G712S494-M692 PolarHBondContact N-O 2.96Å; S494-M692 PolarHBondContact O-N 3.45Å; S494-M692 VanDerWaalsContact O-N 3.08Å; S494-M692 VanDerWaalsContact O-O 3.06Å; S494-Q709 WeakPolarHBondContact OG-CG 3.18Å; S494-Q709 PolarHBondContact OG-NE2 2.88Å; S494-I710 PolarHBondContact OG-O 3.29Å; S494-G712 PolarHBondContact OG-O 3.46Å
495I93.6Very high84.6Confident4 Ų444.9 Ų44.92%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-109.5123.6-172.4-57.7158.5000108.3I623 A626 L629 A689 L691 I710 I714I495-I623 HydrophobicContact CG2-CD1 4.43Å; I495-A626 HydrophobicContact CD1-CB 4.25Å; I495-L629 HydrophobicContact CD1-CD1 3.72Å; I495-L629 HydrophobicContact CG1-CD1 4.21Å; I495-L629 HydrophobicContact CG2-CD1 4.15Å; I495-A689 HydrophobicContact CG2-CB 3.88Å; I495-L691 HydrophobicContact CG1-CD2 3.74Å; I495-I710 HydrophobicContact CB-CB 4.32Å; I495-I710 HydrophobicContact CG2-CB 4.44Å; I495-I710 PolarHBondContact O-N 3.41Å; I495-I714 HydrophobicContact CG1-CD1 4.38Å
496L93.2Very high83.3Confident0 Ų046.8 Ų46.80%028%0.275CS..EExtended strand (participates in β ladder)trans-96.1126.1169.3-17573000108.9I680 L690 I697 L707L496-I680 HydrophobicContact CD2-CG1 4.16Å; L496-L690 HydrophobicContact CB-CB 4.31Å; L496-L690 HydrophobicContact CD2-CD2 4.38Å; L496-L690 PolarHBondContact N-O 2.97Å; L496-L690 PolarHBondContact O-N 3.39Å; L496-I697 HydrophobicContact CB-CD1 4.06Å; L496-I697 HydrophobicContact CB-CG1 4.08Å; L496-I697 HydrophobicContact CD1-CB 4.47Å; L496-I697 HydrophobicContact CD1-CG1 4.32Å; L496-I697 HydrophobicContact CD1-CG2 3.82Å; L496-L707 HydrophobicContact CD1-CB 4.04Å; L496-L707 HydrophobicContact CD2-CD1 4.44Å
497Y91.9Very high82.4Confident7 Ų744.5 Ų44.53%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-137.1164.1175.2-163.7-114.9000110.5P622 I623 I635 V683 D687 Y688 A689 L707 T708 I710Y497-P622 HydrophobicContact CE1-CG 4.34Å; Y497-I623 HydrophobicContact CD1-CD1 4.5Å; Y497-I623 HydrophobicContact CD2-CD1 4.44Å; Y497-I623 HydrophobicContact CG-CD1 4.2Å; Y497-I635 HydrophobicContact CE2-CG2 3.78Å; Y497-V683 VanDerWaalsContact C-CG1 3.5Å; Y497-D687 PolarHBondContact OH-OD1 3.34Å; Y497-Y688 WeakPolarHBondContact CD2-O 3.38Å; Y497-A689 HydrophobicContact CD2-CB 3.93Å; Y497-L707 WeakPolarHBondContact O-CA 3.33Å; Y497-T708 PolarHBondContact N-O 3.37Å; Y497-T708 VanDerWaalsContact N-O 3.1Å; Y497-T708 PolarHBondContact O-N 3.4Å; Y497-I710 VanDerWaalsContact CB-CD1 3.46Å; Y497-I710 HydrophobicContact CD1-CD1 3.88Å; Y497-I710 HydrophobicContact CG-CD1 3.99Å
498H88.9Confident81.6Confident45 Ų4547.4 Ų47.421%0.20828%0.278CS..EExtended strand (participates in β ladder)trans-72.7142.4172.275.579000109.7P500 V683 D687 N706H498-P500 WeakPolarHBondContact O-CD 3.42Å; H498-V683 HydrophobicContact CB-CG1 4.5Å; H498-D687 IonicContact NE2-OD1 2.62Å; H498-N706 CarbonylContact C-O 3.58Å; H498-N706 VanDerWaalsContact CA-O 3.28Å; H498-N706 WeakPolarHBondContact CA-O 3.47Å
499K84.5Confident80.8Confident58 Ų5847.3 Ų47.325%0.25228%0.278SS..PPolyproline II helixtrans-60.3124.2173.7-165166-175.2172.40107.3N501 M619 N706 T708 E762K499-N501 PolarHBondContact O-N 2.97Å; K499-M619 WeakPolarHBondContact CE-SD 3.45Å; K499-N706 PolarHBondContact N-O 3.03Å; K499-T708 HydrophobicContact CB-CG2 3.78Å; K499-T708 HydrophobicContact CD-CG2 3.83Å; K499-T708 HydrophobicContact CG-CG2 3.65Å; K499-E762 IonicContact NZ-OE1 2.85Å
500P74.6Confident80.2Confident28 Ų2848.4 Ų48.418%0.18228%0.283CS..PPolyproline II helixtrans-65.2129.5171.826-30.6000107.7H498 G502H498-P500 WeakPolarHBondContact O-CD 3.42Å; P500-G502 PolarHBondContact O-N 3.32Å
501N65.9Low79.8Confident152 Ų15246.3 Ų46.381%0.81327%0.267SS*.PPolyproline II helixtrans-62.6126.8167.4-67.3-17.8000106.3K499 T503K499-N501 PolarHBondContact O-N 2.97Å; N501-T503 PolarHBondContact O-N 3.29Å
502G59.8Low79.3Confident43 Ų4350.5 Ų50.544%0.44329%0.289SS..PPolyproline II helixtrans-46.3133.6-179.800000110.1P500 N504P500-G502 PolarHBondContact O-N 3.32Å; G502-N504 PolarHBondContact O-N 3.29Å
503T57.8Low79Confident113 Ų11351.2 Ų51.269%0.69329%0.294SS*.  trans-60.6114.3176.438.50000108.3N501N501-T503 PolarHBondContact O-N 3.29Å
504N59.2Low78.7Confident130 Ų13052 Ų5270%0.69530%0.299SS*.PPolyproline II helixtrans-53.5126.6173.6-66.8-11.1000108.1G502 G506G502-N504 PolarHBondContact O-N 3.29Å; N504-G506 PolarHBondContact O-N 2.99Å
505P65.5Low78.5Confident38 Ų3854.4 Ų54.425%0.24732%0.315CS..PPolyproline II helixtrans-57126.3178.919.1-27000108.4N774P505-N774 VanDerWaalsContact CB-OD1 3.29Å; P505-N774 WeakPolarHBondContact CB-OD1 3.38Å; P505-N774 WeakPolarHBondContact CG-OD1 3.29Å
506G69.3Low78.3Confident46 Ų4659 Ų5947%0.47435%0.345SS..PPolyproline II helixtrans-60.3156.618000000111.2N504 F508 S509N504-G506 PolarHBondContact O-N 2.99Å; G506-F508 PolarHBondContact O-N 3.26Å; G506-S509 VanDerWaalsContact O-CB 3.22Å; G506-S509 WeakPolarHBondContact O-CB 3.28Å; G506-S509 PolarHBondContact O-N 3.16Å
507V75.6Confident78.2Confident74 Ų7464.1 Ų64.145%0.44837%0.372SS..THydrogen-bonded Turntrans-53.3-27.6-177.9179.70000113.3G777 I780V507-G777 WeakPolarHBondContact O-CA 3.34Å; V507-G777 PolarHBondContact O-N 3.01Å; V507-I780 HydrophobicContact CG1-CD1 3.6Å
508F78.8Confident78.2Confident118 Ų11866.6 Ų66.652%0.51839%0.386SS..THydrogen-bonded Turntrans-97.424.4176.7-61.6-70000114G506 F510 L511G506-F508 PolarHBondContact O-N 3.26Å; F508-F510 AromaticContact CD1-CE1 3.97Å; F508-F510 HydrophobicContact CD1-CE1 3.97Å; F508-F510 HydrophobicContact CD1-CZ 4.2Å; F508-F510 PolarHBondContact O-N 3.29Å; F508-L511 HydrophobicContact CB-CD1 4.34Å; F508-L511 PolarHBondContact O-N 3.46Å
509S76.9Confident78.3Confident5 Ų568.8 Ų68.84%0.03539%0.392CS..G310 helixtrans-58.7-22.4-177-170.10000113.9G506 L511 N512 F613G506-S509 VanDerWaalsContact O-CB 3.22Å; G506-S509 WeakPolarHBondContact O-CB 3.28Å; G506-S509 PolarHBondContact O-N 3.16Å; S509-L511 PolarHBondContact O-N 3.23Å; S509-N512 WeakPolarHBondContact O-CB 3.41Å; S509-N512 PolarHBondContact O-N 3.14Å; S509-F613 WeakPolarHBondContact OG-CE1 3.48Å
510F81Confident78.6Confident37 Ų3772.2 Ų72.216%0.16241%0.411CS..G310 helixtrans-66.8-17.4174.570.7-90.9000113.7F508 P513 Y606 I778 V781F508-F510 AromaticContact CD1-CE1 3.97Å; F508-F510 HydrophobicContact CD1-CE1 3.97Å; F508-F510 HydrophobicContact CD1-CZ 4.2Å; F508-F510 PolarHBondContact O-N 3.29Å; F510-P513 VanDerWaalsContact O-CD 3.26Å; F510-P513 WeakPolarHBondContact O-CD 3.19Å; F510-Y606 WeakPolarHBondContact O-CE2 3.4Å; F510-Y606 PolarHBondContact O-OH 2.9Å; F510-Y606 VanDerWaalsContact O-OH 3.06Å; F510-I778 HydrophobicContact CD1-CG1 4.02Å; F510-I778 HydrophobicContact CE1-CG1 4.36Å; F510-I778 HydrophobicContact CG-CG1 4.19Å; F510-V781 HydrophobicContact CZ-CG2 4.4Å
511L85.6Confident79.5Confident67 Ų6778.6 Ų78.635%0.35143%0.432SS..G310 helixtrans-85-21.1174.7-66.1177000113.1F508 S509 L514 W519F508-L511 HydrophobicContact CB-CD1 4.34Å; F508-L511 PolarHBondContact O-N 3.46Å; S509-L511 PolarHBondContact O-N 3.23Å; L511-L514 PolarHBondContact O-N 2.77Å; L511-W519 HydrophobicContact CD2-CD2 4.43Å; L511-W519 HydrophobicContact CD2-CH2 4.31Å; L511-W519 HydrophobicContact CD2-CZ2 3.77Å; L511-W519 PolarHBondContact O-NE1 3.48Å; L511-W519 VanDerWaalsContact O-NE1 3.1Å
512N83Confident80.7Confident95 Ų9571.9 Ų71.951%0.50840%0.397SS..THydrogen-bonded Turntrans-61-27.3-177-66.5-16.1000116.5S509 L514 F613S509-N512 WeakPolarHBondContact O-CB 3.41Å; S509-N512 PolarHBondContact O-N 3.14Å; N512-L514 PolarHBondContact O-N 2.84Å; N512-L514 VanDerWaalsContact O-N 3.12Å; N512-F613 HydrophobicContact CB-CE2 4.35Å; N512-F613 HydrophobicContact CB-CZ 4.19Å
513P87.2Confident82.1Confident15 Ų1574.9 Ų74.910%0.09740%0.402CS..THydrogen-bonded Turntrans-62.5-17179.5-25.134.8000115F510 Y606 N609 L610F510-P513 VanDerWaalsContact O-CD 3.26Å; F510-P513 WeakPolarHBondContact O-CD 3.19Å; P513-Y606 HydrophobicContact CB-CD2 4.28Å; P513-Y606 HydrophobicContact CB-CE2 4.26Å; P513-Y606 HydrophobicContact CG-CE2 4.17Å; P513-N609 HydrophobicContact CB-CB 3.98Å; P513-N609 PolarHBondContact O-ND2 3.32Å; P513-L610 HydrophobicContact CB-CB 4.4Å; P513-L610 HydrophobicContact CG-CB 4Å; P513-L610 HydrophobicContact CG-CD1 3.67Å; P513-L610 HydrophobicContact CG-CG 4.45Å
514L87.8Confident83.7Confident18 Ų1875.2 Ų75.29%0.09440%0.399CS..SBendtrans-125.9139.7173.1-68.8174.6000108.9L511 N512 I518 W519 Y606L511-L514 PolarHBondContact O-N 2.77Å; N512-L514 PolarHBondContact O-N 2.84Å; N512-L514 VanDerWaalsContact O-N 3.12Å; L514-I518 HydrophobicContact CD1-CG2 4.26Å; L514-I518 HydrophobicContact CD2-CD1 4.14Å; L514-I518 HydrophobicContact CD2-CG2 4.28Å; L514-W519 HydrophobicContact CD1-CZ2 4.21Å; L514-Y606 HydrophobicContact CD1-CD2 4.04Å; L514-Y606 HydrophobicContact CG-CD2 4.27Å
515S89.4Confident85.2Confident50 Ų5070.5 Ų70.535%0.3538%0.378SS..  trans-61.1147.9174.7570000110.9D517 I518 W519S515-D517 PolarHBondContact O-N 2.64Å; S515-I518 PolarHBondContact O-N 3.11Å; S515-I518 WeakPolarHBondContact OG-CD1 3.11Å; S515-I518 VanDerWaalsContact OG-CG1 3.31Å; S515-I518 WeakPolarHBondContact OG-CG1 3.29Å; S515-W519 PolarHBondContact O-N 2.99Å
516P88.4Confident86.4Confident100 Ų10069.1 Ų69.165%0.64937%0.37SS*.Hα-helixtrans-50.6-33.8175.8-28.235.3000114.1I518 W519 M520P516-I518 PolarHBondContact O-N 3.35Å; P516-W519 WeakPolarHBondContact O-CB 3.07Å; P516-W519 PolarHBondContact O-N 3.41Å; P516-M520 WeakPolarHBondContact O-CG 3.45Å; P516-M520 PolarHBondContact O-N 3.26Å; P516-M520 VanDerWaalsContact O-N 3.13Å
517D91.9Very high87.5Confident107 Ų10771.3 Ų71.357%0.57237%0.37SS*.Hα-helixtrans-63.1-40.1178.4-58.8-28.9000112.5S515 M520 Y521S515-D517 PolarHBondContact O-N 2.64Å; D517-M520 WeakPolarHBondContact O-CB 3.32Å; D517-M520 PolarHBondContact O-N 3.44Å; D517-Y521 HydrophobicContact CB-CE2 4.24Å; D517-Y521 WeakPolarHBondContact O-CD2 3.38Å; D517-Y521 PolarHBondContact O-N 3.34Å
518I91.9Very high88.2Confident60 Ų6069.5 Ų69.531%0.30837%0.366SS..Hα-helixtrans-66.4-40.6178.2-65.7168.2000110.2L514 S515 P516 M520 Y521 V522L514-I518 HydrophobicContact CD1-CG2 4.26Å; L514-I518 HydrophobicContact CD2-CD1 4.14Å; L514-I518 HydrophobicContact CD2-CG2 4.28Å; S515-I518 PolarHBondContact O-N 3.11Å; S515-I518 WeakPolarHBondContact OG-CD1 3.11Å; S515-I518 VanDerWaalsContact OG-CG1 3.31Å; S515-I518 WeakPolarHBondContact OG-CG1 3.29Å; P516-I518 PolarHBondContact O-N 3.35Å; I518-M520 VanDerWaalsContact C-N 3.28Å; I518-M520 PolarHBondContact O-N 2.87Å; I518-Y521 PolarHBondContact O-N 3.02Å; I518-Y521 VanDerWaalsContact O-N 3.14Å; I518-V522 HydrophobicContact CG2-CG2 4.27Å; I518-V522 WeakPolarHBondContact O-CG2 3.32Å; I518-V522 PolarHBondContact O-N 3.14Å
519W90.3Very high88.8Confident90 Ų9065.3 Ų65.334%0.34135%0.35SS..Hα-helixtrans-58.6-41.8174.7-74.4111.5000111.9L511 L514 S515 P516 V522 L523 Y606L511-W519 HydrophobicContact CD2-CD2 4.43Å; L511-W519 HydrophobicContact CD2-CH2 4.31Å; L511-W519 HydrophobicContact CD2-CZ2 3.77Å; L511-W519 PolarHBondContact O-NE1 3.48Å; L511-W519 VanDerWaalsContact O-NE1 3.1Å; L514-W519 HydrophobicContact CD1-CZ2 4.21Å; S515-W519 PolarHBondContact O-N 2.99Å; P516-W519 WeakPolarHBondContact O-CB 3.07Å; P516-W519 PolarHBondContact O-N 3.41Å; W519-V522 PolarHBondContact O-N 3.05Å; W519-L523 PolarHBondContact O-N 3.08Å; W519-L523 VanDerWaalsContact O-N 3.08Å; W519-Y606 HydrophobicContact CH2-CE2 4.39Å; W519-Y606 HydrophobicContact CZ2-CD2 4.28Å; W519-Y606 HydrophobicContact CZ2-CE2 4.05Å
520M91Very high89.4Confident131 Ų13165.1 Ų65.165%0.64535%0.349SS*.Hα-helixtrans-64.9-40.7174.9-67.2-65.6-87.400112P516 D517 I518 L523 L524P516-M520 WeakPolarHBondContact O-CG 3.45Å; P516-M520 PolarHBondContact O-N 3.26Å; P516-M520 VanDerWaalsContact O-N 3.13Å; D517-M520 WeakPolarHBondContact O-CB 3.32Å; D517-M520 PolarHBondContact O-N 3.44Å; I518-M520 VanDerWaalsContact C-N 3.28Å; I518-M520 PolarHBondContact O-N 2.87Å; M520-L523 PolarHBondContact O-N 2.91Å; M520-L524 WeakPolarHBondContact O-CB 3.43Å; M520-L524 PolarHBondContact O-N 3.06Å
521Y92.8Very high89.8Confident161 Ų16166.3 Ų66.363%0.63136%0.361SS*.Hα-helixtrans-66.4-37.2175.5-67.2-49.3000113.3D517 I518 L524 A525D517-Y521 HydrophobicContact CB-CE2 4.24Å; D517-Y521 WeakPolarHBondContact O-CD2 3.38Å; D517-Y521 PolarHBondContact O-N 3.34Å; I518-Y521 PolarHBondContact O-N 3.02Å; I518-Y521 VanDerWaalsContact O-N 3.14Å; Y521-L524 PolarHBondContact O-N 3.3Å; Y521-A525 VanDerWaalsContact O-CB 3.23Å; Y521-A525 WeakPolarHBondContact O-CB 3.33Å; Y521-A525 PolarHBondContact O-N 3.45Å
522V91.3Very high90Very high12 Ų1266.5 Ų66.57%0.07337%0.365CS..Hα-helixtrans-64.9-43.3176171.70000110.7I518 W519 A525 C526 L574 I602I518-V522 HydrophobicContact CG2-CG2 4.27Å; I518-V522 WeakPolarHBondContact O-CG2 3.32Å; I518-V522 PolarHBondContact O-N 3.14Å; W519-V522 PolarHBondContact O-N 3.05Å; V522-A525 PolarHBondContact O-N 3.23Å; V522-C526 WeakPolarHBondContact O-CB 3.28Å; V522-C526 PolarHBondContact O-N 3.37Å; V522-L574 HydrophobicContact CG1-CD1 4.22Å; V522-L574 HydrophobicContact CG1-CD2 4.09Å; V522-I602 HydrophobicContact CG2-CG2 4.17Å
523L89.7Confident90.2Very high105 Ų10562 Ų6255%0.5534%0.341SS..Hα-helixtrans-60.6-47.6174.9-178.468.2000111.3W519 M520 A525 C526 L527W519-L523 PolarHBondContact O-N 3.08Å; W519-L523 VanDerWaalsContact O-N 3.08Å; M520-L523 PolarHBondContact O-N 2.91Å; L523-A525 PolarHBondContact O-N 3.46Å; L523-C526 PolarHBondContact O-N 3.35Å; L523-L527 WeakPolarHBondContact O-CG 3.4Å; L523-L527 PolarHBondContact O-N 3.3Å; L523-L527 VanDerWaalsContact O-N 3.09Å
524L91.2Very high90.3Very high120 Ų12064.6 Ų64.663%0.62835%0.351SS*.Hα-helixtrans-63.6-42179.1-171.669.6000111.8M520 Y521 L527 G528M520-L524 WeakPolarHBondContact O-CB 3.43Å; M520-L524 PolarHBondContact O-N 3.06Å; Y521-L524 PolarHBondContact O-N 3.3Å; L524-L527 PolarHBondContact O-N 3.09Å; L524-G528 PolarHBondContact O-N 3.41Å
525A91.3Very high90.3Very high32 Ų3266.6 Ų66.626%0.26436%0.364SS..Hα-helixtrans-64-40.8176.700000111.7Y521 V522 L523 G528 V529 W595 F598Y521-A525 VanDerWaalsContact O-CB 3.23Å; Y521-A525 WeakPolarHBondContact O-CB 3.33Å; Y521-A525 PolarHBondContact O-N 3.45Å; V522-A525 PolarHBondContact O-N 3.23Å; L523-A525 PolarHBondContact O-N 3.46Å; A525-G528 PolarHBondContact O-N 3.08Å; A525-V529 WeakPolarHBondContact O-CB 3.46Å; A525-V529 VanDerWaalsContact O-CG2 3.26Å; A525-V529 WeakPolarHBondContact O-CG2 3.45Å; A525-V529 PolarHBondContact O-N 3.23Å; A525-W595 HydrophobicContact CB-CZ3 4.21Å; A525-F598 HydrophobicContact CB-CE1 4.43Å
526C90.6Very high90.1Very high9 Ų966.3 Ų66.36%0.06136%0.358CS..Hα-helixtrans-60.7-46.9176.2-173.30000111.6V522 L523 S530 W595V522-C526 WeakPolarHBondContact O-CB 3.28Å; V522-C526 PolarHBondContact O-N 3.37Å; L523-C526 PolarHBondContact O-N 3.35Å; C526-S530 WeakPolarHBondContact O-CB 3.29Å; C526-S530 PolarHBondContact O-N 2.94Å; C526-S530 PolarHBondContact O-OG 3.33Å; C526-W595 HydrophobicContact CB-CH2 3.96Å; C526-W595 HydrophobicContact CB-CZ2 4.15Å
527L91.1Very high89.9Confident91 Ų9161.6 Ų61.648%0.47633%0.327SS..Hα-helixtrans-65.1-41.8175.9-67.1175.8000112.1L523 L524 S530 C531L523-L527 WeakPolarHBondContact O-CG 3.4Å; L523-L527 PolarHBondContact O-N 3.3Å; L523-L527 VanDerWaalsContact O-N 3.09Å; L524-L527 PolarHBondContact O-N 3.09Å; L527-S530 PolarHBondContact O-N 3.49Å; L527-C531 WeakPolarHBondContact O-CB 3.29Å; L527-C531 PolarHBondContact O-N 3.33Å
528G91.9Very high89.4Confident36 Ų3663.1 Ų63.137%0.37133%0.325SS..Hα-helixtrans-61-48.2177.900000112.6L524 A525 S530 C531 V532L524-G528 PolarHBondContact O-N 3.41Å; A525-G528 PolarHBondContact O-N 3.08Å; G528-S530 VanDerWaalsContact C-N 3.33Å; G528-S530 PolarHBondContact O-N 3.41Å; G528-C531 PolarHBondContact O-N 3.22Å; G528-V532 VanDerWaalsContact O-CG2 3.32Å; G528-V532 WeakPolarHBondContact O-CG2 3.3Å; G528-V532 PolarHBondContact O-N 3.38Å
529V90.1Very high88.9Confident30 Ų3068.4 Ų68.418%0.18235%0.346CS..Hα-helixtrans-64.3-39.5177.3171.30000111.2A525 C531 V532 L533 V591 W595A525-V529 WeakPolarHBondContact O-CB 3.46Å; A525-V529 VanDerWaalsContact O-CG2 3.26Å; A525-V529 WeakPolarHBondContact O-CG2 3.45Å; A525-V529 PolarHBondContact O-N 3.23Å; V529-C531 VanDerWaalsContact C-N 3.34Å; V529-C531 PolarHBondContact O-N 3.4Å; V529-V532 PolarHBondContact O-N 3.44Å; V529-L533 HydrophobicContact CG1-CD1 4.02Å; V529-L533 HydrophobicContact CG1-CG 4.42Å; V529-L533 WeakPolarHBondContact O-CB 3.45Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.93Å; V529-V591 HydrophobicContact CG1-CG1 4.29Å; V529-W595 HydrophobicContact CB-CD2 4.32Å; V529-W595 HydrophobicContact CB-CE3 4.18Å; V529-W595 HydrophobicContact CG1-CB 4.03Å; V529-W595 HydrophobicContact CG1-CD2 3.94Å; V529-W595 HydrophobicContact CG1-CE3 4.21Å; V529-W595 HydrophobicContact CG1-CG 3.86Å; V529-W595 HydrophobicContact CG2-CD2 4.2Å; V529-W595 HydrophobicContact CG2-CE3 3.61Å; V529-W595 HydrophobicContact CG2-CZ3 3.96Å
530S90.3Very high88.5Confident1 Ų165.2 Ų65.21%0.00734%0.336CS..Hα-helixtrans-62.3-41.3176-57.10000111.9C526 L527 G528 F534 S566 V567C526-S530 WeakPolarHBondContact O-CB 3.29Å; C526-S530 PolarHBondContact O-N 2.94Å; C526-S530 PolarHBondContact O-OG 3.33Å; L527-S530 PolarHBondContact O-N 3.49Å; G528-S530 VanDerWaalsContact C-N 3.33Å; G528-S530 PolarHBondContact O-N 3.41Å; S530-F534 WeakPolarHBondContact O-CB 3.3Å; S530-F534 PolarHBondContact O-N 3.39Å; S530-S566 WeakPolarHBondContact O-CB 3.37Å; S530-S566 PolarHBondContact OG-O 2.96Å; S530-V567 WeakPolarHBondContact OG-CA 3.4Å
531C90.1Very high87.7Confident63 Ų6363.3 Ų63.343%0.42633%0.334SS..Hα-helixtrans-66.1-44.3174.6-173.10000111.9L527 G528 V529 F534 V535L527-C531 WeakPolarHBondContact O-CB 3.29Å; L527-C531 PolarHBondContact O-N 3.33Å; G528-C531 PolarHBondContact O-N 3.22Å; V529-C531 VanDerWaalsContact C-N 3.34Å; V529-C531 PolarHBondContact O-N 3.4Å; C531-F534 PolarHBondContact O-N 2.93Å; C531-V535 VanDerWaalsContact O-CG2 3.29Å; C531-V535 WeakPolarHBondContact O-CG2 3.41Å; C531-V535 PolarHBondContact O-N 3.23Å
532V89.6Confident86.8Confident70 Ų7064.3 Ų64.342%0.42434%0.338SS..Hα-helixtrans-63.4-42.5178.3170.40000111.1G528 V529 V535 I536 V591G528-V532 VanDerWaalsContact O-CG2 3.32Å; G528-V532 WeakPolarHBondContact O-CG2 3.3Å; G528-V532 PolarHBondContact O-N 3.38Å; V529-V532 PolarHBondContact O-N 3.44Å; V532-V535 PolarHBondContact O-N 3.25Å; V532-I536 HydrophobicContact CG1-CD1 3.6Å; V532-I536 HydrophobicContact CG1-CG1 4.39Å; V532-I536 WeakPolarHBondContact O-CB 3.22Å; V532-I536 WeakPolarHBondContact O-CG1 3.4Å; V532-I536 PolarHBondContact O-N 2.92Å; V532-V591 HydrophobicContact CG1-CG1 4.34Å; V532-V591 HydrophobicContact CG1-CG2 4.43Å
533L87.1Confident86.2Confident2 Ų264 Ų641%0.0134%0.336CS..Hα-helixtrans-61.9-45174.5-79.9171.7000111.9V529 V535 I536 A537 F569 V591V529-L533 HydrophobicContact CG1-CD1 4.02Å; V529-L533 HydrophobicContact CG1-CG 4.42Å; V529-L533 WeakPolarHBondContact O-CB 3.45Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.93Å; L533-V535 PolarHBondContact O-N 2.9Å; L533-I536 PolarHBondContact O-N 3.3Å; L533-A537 WeakPolarHBondContact O-CB 3.45Å; L533-A537 PolarHBondContact O-N 3.17Å; L533-F569 HydrophobicContact CD1-CD1 3.45Å; L533-F569 VanDerWaalsContact CD1-CD1 3.45Å; L533-F569 HydrophobicContact CD1-CE1 3.58Å; L533-V591 HydrophobicContact CD2-CB 3.84Å; L533-V591 HydrophobicContact CD2-CG1 3.63Å; L533-V591 HydrophobicContact CG-CB 4.5Å; L533-V591 HydrophobicContact CG-CG1 3.73Å
534F87.9Confident85.6Confident69 Ų6962.6 Ų62.630%0.30332%0.323SS..Hα-helixtrans-58-47.4176.1172.2-106.8000111.9S530 C531 R538 F561 L563S530-F534 WeakPolarHBondContact O-CB 3.3Å; S530-F534 PolarHBondContact O-N 3.39Å; C531-F534 PolarHBondContact O-N 2.93Å; F534-R538 PolarHBondContact O-N 3.1Å; F534-R538 VanDerWaalsContact O-N 3.16Å; F534-F561 WeakPolarHBondContact CD2-O 3.47Å; F534-L563 HydrophobicContact CB-CD1 4.41Å; F534-L563 HydrophobicContact CD1-CD1 3.96Å; F534-L563 HydrophobicContact CD2-CB 4.29Å; F534-L563 HydrophobicContact CE1-CD1 4.41Å; F534-L563 HydrophobicContact CE2-CB 4.38Å; F534-L563 HydrophobicContact CG-CD1 4.08Å
535V88Confident84.6Confident60 Ų6060.2 Ų60.236%0.36431%0.306SS..Hα-helixtrans-63.7-49.8-179.8172.80000111.2C531 V532 L533 A537 R538 F539C531-V535 VanDerWaalsContact O-CG2 3.29Å; C531-V535 WeakPolarHBondContact O-CG2 3.41Å; C531-V535 PolarHBondContact O-N 3.23Å; V532-V535 PolarHBondContact O-N 3.25Å; L533-V535 PolarHBondContact O-N 2.9Å; V535-A537 PolarHBondContact O-N 2.86Å; V535-R538 PolarHBondContact O-N 2.78Å; V535-F539 HydrophobicContact CG1-CD2 3.65Å; V535-F539 HydrophobicContact CG1-CE2 3.58Å; V535-F539 WeakPolarHBondContact O-CD2 3.47Å; V535-F539 PolarHBondContact O-N 2.89Å; V535-F539 VanDerWaalsContact O-N 3.12Å
536I86.4Confident83.6Confident44 Ų4461.1 Ų61.123%0.22631%0.307CS..Hα-helixtrans-67.1-38.4-178.1-67.6171.4000111.6V532 L533 R538 F539 T540 T588 V591V532-I536 HydrophobicContact CG1-CD1 3.6Å; V532-I536 HydrophobicContact CG1-CG1 4.39Å; V532-I536 WeakPolarHBondContact O-CB 3.22Å; V532-I536 WeakPolarHBondContact O-CG1 3.4Å; V532-I536 PolarHBondContact O-N 2.92Å; L533-I536 PolarHBondContact O-N 3.3Å; I536-R538 PolarHBondContact O-N 3.04Å; I536-F539 PolarHBondContact O-N 2.83Å; I536-T540 WeakPolarHBondContact O-CB 3.1Å; I536-T540 PolarHBondContact O-N 2.83Å; I536-T540 PolarHBondContact O-OG1 3.12Å; I536-T588 HydrophobicContact CB-CG2 4.48Å; I536-T588 HydrophobicContact CG2-CG2 3.8Å; I536-V591 HydrophobicContact CD1-CG2 3.84Å
537A83.1Confident82.5Confident1 Ų162.7 Ų62.71%0.00832%0.317CS..Hα-helixtrans-64-31.3176.900000111.8L533 V535 E543 N559 F561 T588L533-A537 WeakPolarHBondContact O-CB 3.45Å; L533-A537 PolarHBondContact O-N 3.17Å; V535-A537 PolarHBondContact O-N 2.86Å; A537-E543 HydrophobicContact CB-CG 4.45Å; A537-N559 PolarHBondContact O-ND2 3.42Å; A537-F561 HydrophobicContact CB-CB 3.67Å; A537-F561 HydrophobicContact CB-CD2 3.97Å; A537-F561 HydrophobicContact CB-CG 4.01Å; A537-T588 HydrophobicContact CB-CG2 4.25Å
538R82.2Confident81.3Confident138 Ų13864.5 Ų64.552%0.52132%0.322SS..Hα-helixtrans-76.5-38176.5-162.167.1175.2162.34112.9F534 V535 I536 W544F534-R538 PolarHBondContact O-N 3.1Å; F534-R538 VanDerWaalsContact O-N 3.16Å; V535-R538 PolarHBondContact O-N 2.78Å; I536-R538 PolarHBondContact O-N 3.04Å; R538-W544 PolarHBondContact O-NE1 2.85Å
539F81.8Confident79.8Confident171 Ų17168.2 Ų68.275%0.7534%0.34SS*.Hα-helixtrans-76.3-28.9179.9-81.4-64.6000114V535 I536 P541V535-F539 HydrophobicContact CG1-CD2 3.65Å; V535-F539 HydrophobicContact CG1-CE2 3.58Å; V535-F539 WeakPolarHBondContact O-CD2 3.47Å; V535-F539 PolarHBondContact O-N 2.89Å; V535-F539 VanDerWaalsContact O-N 3.12Å; I536-F539 PolarHBondContact O-N 2.83Å; F539-P541 WeakPolarHBondContact O-CD 3.31Å
540T82.2Confident78.5Confident23 Ų2372.8 Ų72.814%0.14137%0.372CS..  trans-86.2117.3-174.9-49.80000110.4I536 Y542 E543 A585 S587I536-T540 WeakPolarHBondContact O-CB 3.1Å; I536-T540 PolarHBondContact O-N 2.83Å; I536-T540 PolarHBondContact O-OG1 3.12Å; T540-Y542 HydrophobicContact CG2-CD2 3.82Å; T540-Y542 HydrophobicContact CG2-CG 4.48Å; T540-Y542 PolarHBondContact O-N 2.94Å; T540-E543 PolarHBondContact O-N 2.86Å; T540-A585 HydrophobicContact CG2-CB 3.64Å; T540-S587 PolarHBondContact OG1-OG 2.65Å
541P73.4Confident77.2Confident92 Ų9276.9 Ų76.960%0.59739%0.394SS*.G310 helixtrans-66.7-20.4-176.626.5-34.2000113.1F539 E543 W544F539-P541 WeakPolarHBondContact O-CD 3.31Å; P541-E543 VanDerWaalsContact C-N 3.3Å; P541-E543 PolarHBondContact O-N 3.32Å; P541-W544 PolarHBondContact O-N 3.07Å
542Y75Confident75.7Confident181 Ų18179.6 Ų79.671%0.7141%0.411SS*.G310 helixtrans-75.4-9.3-179.9-55.5-68.7000115.1T540T540-Y542 HydrophobicContact CG2-CD2 3.82Å; T540-Y542 HydrophobicContact CG2-CG 4.48Å; T540-Y542 PolarHBondContact O-N 2.94Å
543E76.7Confident74.2Confident6 Ų683 Ų833%0.02843%0.426CS..G310 helixtrans-88.4-15.7173.8-76.7-66.1173.800113.2A537 T540 P541 K584 A585 T588A537-E543 HydrophobicContact CB-CG 4.45Å; T540-E543 PolarHBondContact O-N 2.86Å; P541-E543 VanDerWaalsContact C-N 3.3Å; P541-E543 PolarHBondContact O-N 3.32Å; E543-K584 PolarHBondContact OE1-N 3.34Å; E543-K584 PolarHBondContact OE2-N 2.78Å; E543-A585 HydrophobicContact CG-CB 3.81Å; E543-A585 PolarHBondContact OE1-N 3.04Å; E543-T588 HydrophobicContact CG-CG2 4.07Å; E543-T588 WeakPolarHBondContact OE1-CB 3.42Å; E543-T588 PolarHBondContact OE1-OG1 3.25Å
544W77.3Confident72.8Confident75 Ų7584.2 Ų84.228%0.28444%0.435SS..  trans-81.3132179.1-66.980.7000110R538 P541 V557 N559R538-W544 PolarHBondContact O-NE1 2.85Å; P541-W544 PolarHBondContact O-N 3.07Å; W544-V557 HydrophobicContact CB-CB 4.14Å; W544-V557 HydrophobicContact CD2-CG2 4.31Å; W544-V557 HydrophobicContact CE3-CB 3.8Å; W544-V557 HydrophobicContact CE3-CG2 3.54Å; W544-V557 HydrophobicContact CZ3-CB 4.49Å; W544-V557 HydrophobicContact CZ3-CG2 3.87Å; W544-V557 WeakPolarHBondContact CZ3-O 3.43Å; W544-N559 HydrophobicContact CD2-CB 4.23Å; W544-N559 HydrophobicContact CE3-CB 4.24Å
545Y71.3Confident71.5Confident70 Ų7088.6 Ų88.628%0.27546%0.462SS..BIsolated β-bridgetrans-133.1151.4178.373.8-85.5000111.4P547 E558 N560Y545-P547 HydrophobicContact CE2-CB 4.45Å; Y545-P547 WeakPolarHBondContact O-CD 3.46Å; Y545-E558 PolarHBondContact N-O 3.45Å; Y545-E558 PolarHBondContact O-N 2.81Å; Y545-N560 WeakPolarHBondContact CE1-ND2 3.43Å; Y545-N560 WeakPolarHBondContact CE1-OD1 3.08Å; Y545-N560 PolarHBondContact OH-ND2 2.87Å; Y545-N560 PolarHBondContact OH-OD1 3.34Å
546N70.9Confident70.2Confident52 Ų5290.1 Ų90.128%0.27847%0.471SS..  trans-83.8118.9175.3-177.1-12.4000109H548 S554N546-H548 PolarHBondContact O-N 2.81Å; N546-H548 PolarHBondContact OD1-N 2.91Å; N546-S554 PolarHBondContact ND2-OG 3.35Å; N546-S554 PolarHBondContact OD1-OG 2.62Å
547P66Low69.4Low42 Ų4291.5 Ų91.527%0.27348%0.481SS..SBendtrans-68.1-15.4178.927.1-33.3000113.7Y545 P549 V556 E558Y545-P547 HydrophobicContact CE2-CB 4.45Å; Y545-P547 WeakPolarHBondContact O-CD 3.46Å; P547-P549 WeakPolarHBondContact O-CD 3.43Å; P547-V556 WeakPolarHBondContact CD-O 3.11Å; P547-E558 HydrophobicContact CG-CG 4.13Å
548H66.3Low68.7Low128 Ų12896 Ų9659%0.59350%0.502SS*.  trans-120.277.6177.3-64.2-48.5000111.8N546 C550 N551N546-H548 PolarHBondContact O-N 2.81Å; N546-H548 PolarHBondContact OD1-N 2.91Å; H548-C550 PolarHBondContact O-N 3.07Å; H548-N551 PolarHBondContact O-N 3.43Å; H548-N551 VanDerWaalsContact O-N 3.13Å
549P60.3Low68.5Low115 Ų11590.5 Ų90.575%0.74748%0.483SS*.THydrogen-bonded Turntrans-64.7-11-176.225.2-33.9000114.5P547P547-P549 WeakPolarHBondContact O-CD 3.43Å
550C64Low68.3Low126 Ų12685.4 Ų85.485%0.85146%0.464SS*.THydrogen-bonded Turntrans-89.5-6.2178-62.10000114.3H548H548-C550 PolarHBondContact O-N 3.07Å
551N61.2Low68.1Low86 Ų8684.8 Ų84.846%0.4646%0.459SS..  trans-114.5103.6178.1-164.510.5000110.5H548 D553 S554H548-N551 PolarHBondContact O-N 3.43Å; H548-N551 VanDerWaalsContact O-N 3.13Å; N551-D553 PolarHBondContact O-N 2.9Å; N551-S554 PolarHBondContact O-OG 3.3Å
552P60.4Low68.5Low120 Ų12083.5 Ų83.578%0.77945%0.449SS*.THydrogen-bonded Turntrans-70.1-12.1-173.525-31.2000114.9
553D57.3Low69Low142 Ų14279.3 Ų79.376%0.75944%0.439SS*.THydrogen-bonded Turntrans-105.511.6-176.3-64.8-37000114.7N551N551-D553 PolarHBondContact O-N 2.9Å
554S57.2Low69.4Low28 Ų2885.4 Ų85.420%0.19647%0.47CS..  trans-90.6107.4177.169.70000112N546 N551 V556N546-S554 PolarHBondContact ND2-OG 3.35Å; N546-S554 PolarHBondContact OD1-OG 2.62Å; N551-S554 PolarHBondContact O-OG 3.3Å; S554-V556 PolarHBondContact O-N 3.22Å; S554-V556 VanDerWaalsContact O-N 3.17Å
555D60.4Low69.8Low161 Ų16184.6 Ų84.686%0.86147%0.471SS*.  trans-72.33.3173.9-75.8-27.7000114.2V557D555-V557 PolarHBondContact O-N 3.07Å
556V62.1Low70.5Confident92 Ų9281.2 Ų81.256%0.55846%0.458SS*.  trans-82.2100.7-177.9-170.30000109.4P547 S554P547-V556 WeakPolarHBondContact CD-O 3.11Å; S554-V556 PolarHBondContact O-N 3.22Å; S554-V556 VanDerWaalsContact O-N 3.17Å
557V67.8Low71.4Confident73 Ų7381 Ų8144%0.44246%0.459SS..  trans-99131.8170.8-79.20000110.5W544 D555W544-V557 HydrophobicContact CB-CB 4.14Å; W544-V557 HydrophobicContact CD2-CG2 4.31Å; W544-V557 HydrophobicContact CE3-CB 3.8Å; W544-V557 HydrophobicContact CE3-CG2 3.54Å; W544-V557 HydrophobicContact CZ3-CB 4.49Å; W544-V557 HydrophobicContact CZ3-CG2 3.87Å; W544-V557 WeakPolarHBondContact CZ3-O 3.43Å; D555-V557 PolarHBondContact O-N 3.07Å
558E69.8Low72.4Confident94 Ų9487.4 Ų87.444%0.43948%0.478SS..BIsolated β-bridgetrans-110.8152178.3-67.9-173.1166.100111.1Y545 P547Y545-E558 PolarHBondContact N-O 3.45Å; Y545-E558 PolarHBondContact O-N 2.81Å; P547-E558 HydrophobicContact CG-CG 4.13Å
559N78Confident73.3Confident24 Ų2481.6 Ų81.613%0.12845%0.451CS..  trans-127.9124176.4-171.2-26.4000108.9A537 W544 F561A537-N559 PolarHBondContact O-ND2 3.42Å; W544-N559 HydrophobicContact CD2-CB 4.23Å; W544-N559 HydrophobicContact CE3-CB 4.24Å; N559-F561 VanDerWaalsContact C-N 3.31Å; N559-F561 PolarHBondContact O-N 2.89Å; N559-F561 PolarHBondContact OD1-N 2.91Å
560N76.2Confident74.6Confident63 Ų6376.1 Ų76.134%0.33742%0.415SS..SBendtrans-78.2-15.6-176.4-69.4-9.1000113.3Y545 T562 N565 L581Y545-N560 WeakPolarHBondContact CE1-ND2 3.43Å; Y545-N560 WeakPolarHBondContact CE1-OD1 3.08Å; Y545-N560 PolarHBondContact OH-ND2 2.87Å; Y545-N560 PolarHBondContact OH-OD1 3.34Å; N560-T562 PolarHBondContact O-N 3.27Å; N560-T562 VanDerWaalsContact O-N 3.11Å; N560-N565 WeakPolarHBondContact O-CB 3.36Å; N560-N565 PolarHBondContact O-ND2 2.9Å; N560-L581 HydrophobicContact CB-CD2 3.84Å
561F78.6Confident75.7Confident11 Ų1172.6 Ų72.65%0.04839%0.389CS..  trans-84.877.5176.7-71-75000111.3F534 A537 N559 F569 L581 P583F534-F561 WeakPolarHBondContact CD2-O 3.47Å; A537-F561 HydrophobicContact CB-CB 3.67Å; A537-F561 HydrophobicContact CB-CD2 3.97Å; A537-F561 HydrophobicContact CB-CG 4.01Å; N559-F561 VanDerWaalsContact C-N 3.31Å; N559-F561 PolarHBondContact O-N 2.89Å; N559-F561 PolarHBondContact OD1-N 2.91Å; F561-F569 HydrophobicContact CE1-CB 4.48Å; F561-F569 HydrophobicContact CE1-CD2 4.26Å; F561-F569 HydrophobicContact CE1-CG 4.32Å; F561-L581 HydrophobicContact CE1-CB 4.24Å; F561-L581 HydrophobicContact CZ-CB 4.37Å; F561-P583 HydrophobicContact CE2-CB 4.43Å; F561-P583 HydrophobicContact CZ-CB 4.18Å
562T82.9Confident77Confident64 Ų6469 Ų6939%0.39337%0.373SS..  trans-77160.9161.767.40000110.3N560 I564 N565 S566N560-T562 PolarHBondContact O-N 3.27Å; N560-T562 VanDerWaalsContact O-N 3.11Å; T562-I564 PolarHBondContact O-N 2.88Å; T562-N565 CarbonylContact O-C 3.57Å; T562-N565 PolarHBondContact O-N 3.19Å; T562-N565 VanDerWaalsContact OG1-CB 3.28Å; T562-N565 WeakPolarHBondContact OG1-CB 3.31Å; T562-N565 PolarHBondContact OG1-N 3.22Å; T562-N565 PolarHBondContact OG1-ND2 3.07Å; T562-S566 WeakPolarHBondContact O-CB 3.39Å; T562-S566 PolarHBondContact O-N 3.26Å; T562-S566 PolarHBondContact O-OG 3.28Å; T562-S566 VanDerWaalsContact O-OG 3.13Å
563L83.6Confident78.2Confident94 Ų9463.6 Ų63.649%0.49234%0.338SS..Hα-helixtrans-51.7-43.3179.9-17185.8000112.2F534 S566 V567F534-L563 HydrophobicContact CB-CD1 4.41Å; F534-L563 HydrophobicContact CD1-CD1 3.96Å; F534-L563 HydrophobicContact CD2-CB 4.29Å; F534-L563 HydrophobicContact CE1-CD1 4.41Å; F534-L563 HydrophobicContact CE2-CB 4.38Å; F534-L563 HydrophobicContact CG-CD1 4.08Å; L563-S566 PolarHBondContact O-N 3.47Å; L563-V567 WeakPolarHBondContact O-CG2 3.4Å; L563-V567 PolarHBondContact O-N 3.41Å
564I85.8Confident79.6Confident133 Ų13359 Ų5968%0.68231%0.314SS*.Hα-helixtrans-68.4-42.8178.9-65.3167.5000110.7T562 S566 V567 W568T562-I564 PolarHBondContact O-N 2.88Å; I564-S566 VanDerWaalsContact C-N 3.32Å; I564-S566 PolarHBondContact O-N 3.06Å; I564-V567 PolarHBondContact O-N 2.99Å; I564-W568 WeakPolarHBondContact O-CB 3.32Å; I564-W568 PolarHBondContact O-N 2.95Å
565N85.7Confident81Confident58 Ų5863.5 Ų63.531%0.3133%0.333SS..Hα-helixtrans-66.9-33.3177.1-72.9-2.9000112.4N560 T562 W568 F569 L581N560-N565 WeakPolarHBondContact O-CB 3.36Å; N560-N565 PolarHBondContact O-ND2 2.9Å; T562-N565 CarbonylContact O-C 3.57Å; T562-N565 PolarHBondContact O-N 3.19Å; T562-N565 VanDerWaalsContact OG1-CB 3.28Å; T562-N565 WeakPolarHBondContact OG1-CB 3.31Å; T562-N565 PolarHBondContact OG1-N 3.22Å; T562-N565 PolarHBondContact OG1-ND2 3.07Å; N565-W568 PolarHBondContact O-N 3.26Å; N565-F569 WeakPolarHBondContact O-CB 3.32Å; N565-F569 PolarHBondContact O-N 3.21Å; N565-L581 HydrophobicContact CB-CD1 3.62Å
566S86.8Confident82.1Confident0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-69.2-39173.1-63.20000111.8S530 T562 L563 I564 F569 G570S530-S566 WeakPolarHBondContact O-CB 3.37Å; S530-S566 PolarHBondContact OG-O 2.96Å; T562-S566 WeakPolarHBondContact O-CB 3.39Å; T562-S566 PolarHBondContact O-N 3.26Å; T562-S566 PolarHBondContact O-OG 3.28Å; T562-S566 VanDerWaalsContact O-OG 3.13Å; L563-S566 PolarHBondContact O-N 3.47Å; I564-S566 VanDerWaalsContact C-N 3.32Å; I564-S566 PolarHBondContact O-N 3.06Å; S566-F569 WeakPolarHBondContact O-CB 3.23Å; S566-F569 PolarHBondContact O-N 3.13Å; S566-G570 PolarHBondContact O-N 3.44Å
567V88.3Confident83Confident47 Ų4765.5 Ų65.529%0.28533%0.331SS..Hα-helixtrans-64.9-42.8171.3172.30000110.8S530 L563 I564 F569 G570 V571S530-V567 WeakPolarHBondContact OG-CA 3.4Å; L563-V567 WeakPolarHBondContact O-CG2 3.4Å; L563-V567 PolarHBondContact O-N 3.41Å; I564-V567 PolarHBondContact O-N 2.99Å; V567-F569 VanDerWaalsContact C-N 3.32Å; V567-F569 PolarHBondContact O-N 3.38Å; V567-G570 PolarHBondContact O-N 3.42Å; V567-G570 VanDerWaalsContact O-N 3.13Å; V567-V571 HydrophobicContact CG1-CG2 4.34Å; V567-V571 WeakPolarHBondContact O-CG2 3.31Å; V567-V571 PolarHBondContact O-N 2.92Å
568W87.4Confident83.4Confident177 Ų17764 Ų6467%0.6733%0.33SS*.Hα-helixtrans-61.6-39.5175.5-167.9-110.6000112.2I564 N565 G572I564-W568 WeakPolarHBondContact O-CB 3.32Å; I564-W568 PolarHBondContact O-N 2.95Å; N565-W568 PolarHBondContact O-N 3.26Å; W568-G572 PolarHBondContact O-N 2.78Å
569F86.8Confident83.8Confident6 Ų660.9 Ų60.93%0.02632%0.319CS..Hα-helixtrans-61.3-46.1170.9178.7-86.9000112L533 F561 N565 S566 V567 V571 G572 A573 L581L533-F569 HydrophobicContact CD1-CD1 3.45Å; L533-F569 VanDerWaalsContact CD1-CD1 3.45Å; L533-F569 HydrophobicContact CD1-CE1 3.58Å; F561-F569 HydrophobicContact CE1-CB 4.48Å; F561-F569 HydrophobicContact CE1-CD2 4.26Å; F561-F569 HydrophobicContact CE1-CG 4.32Å; N565-F569 WeakPolarHBondContact O-CB 3.32Å; N565-F569 PolarHBondContact O-N 3.21Å; S566-F569 WeakPolarHBondContact O-CB 3.23Å; S566-F569 PolarHBondContact O-N 3.13Å; V567-F569 VanDerWaalsContact C-N 3.32Å; V567-F569 PolarHBondContact O-N 3.38Å; F569-V571 PolarHBondContact O-N 3.42Å; F569-G572 PolarHBondContact O-N 3.42Å; F569-A573 WeakPolarHBondContact O-CB 3.36Å; F569-A573 PolarHBondContact O-N 3.3Å; F569-L581 WeakPolarHBondContact CD2-O 3.36Å; F569-L581 WeakPolarHBondContact CE2-O 3.5Å
570G86.8Confident83.5Confident0 Ų069.1 Ų69.10%036%0.356CS..Hα-helixtrans-60.1-44.4177.900000113.1S566 V567 L574 W595S566-G570 PolarHBondContact O-N 3.44Å; V567-G570 PolarHBondContact O-N 3.42Å; V567-G570 VanDerWaalsContact O-N 3.13Å; G570-L574 PolarHBondContact O-N 3.02Å; G570-W595 PolarHBondContact O-NE1 3Å
571V87.7Confident83.4Confident51 Ų5167.7 Ų67.731%0.30935%0.349SS..Hα-helixtrans-70.4-44.6177.5174.60000111.7V567 F569 A573 L574 M575V567-V571 HydrophobicContact CG1-CG2 4.34Å; V567-V571 WeakPolarHBondContact O-CG2 3.31Å; V567-V571 PolarHBondContact O-N 2.92Å; F569-V571 PolarHBondContact O-N 3.42Å; V571-A573 VanDerWaalsContact C-N 3.29Å; V571-A573 PolarHBondContact O-N 3.25Å; V571-L574 WeakPolarHBondContact O-CB 3.5Å; V571-L574 PolarHBondContact O-N 3.29Å; V571-L574 VanDerWaalsContact O-N 3.07Å; V571-M575 HydrophobicContact CG1-SD 4.47Å; V571-M575 PolarHBondContact O-N 2.86Å
572G87.1Confident83.3Confident11 Ų1174.6 Ų74.611%0.11338%0.383CS..Hα-helixtrans-62.8-34.1178.900000113.3W568 F569 Q576 Q577 G578W568-G572 PolarHBondContact O-N 2.78Å; F569-G572 PolarHBondContact O-N 3.42Å; G572-Q576 PolarHBondContact O-N 2.85Å; G572-Q577 PolarHBondContact O-N 3.01Å; G572-G578 PolarHBondContact O-N 2.86Å
573A85.6Confident83.2Confident6 Ų672.6 Ų72.65%0.0537%0.371CS..Hα-helixtrans-68.4-39.6171.200000112.7F569 V571 M575 Q576F569-A573 WeakPolarHBondContact O-CB 3.36Å; F569-A573 PolarHBondContact O-N 3.3Å; V571-A573 VanDerWaalsContact C-N 3.29Å; V571-A573 PolarHBondContact O-N 3.25Å; A573-M575 VanDerWaalsContact C-N 3.33Å; A573-M575 PolarHBondContact O-N 2.79Å; A573-Q576 PolarHBondContact O-N 2.79Å
574L87.3Confident82.9Confident47 Ų4773.5 Ų73.525%0.24637%0.371CS..Hα-helixtrans-65.9-33.3175.6-175.767.8000112.3V522 G570 V571 Q576 W595 T599 I603V522-L574 HydrophobicContact CG1-CD1 4.22Å; V522-L574 HydrophobicContact CG1-CD2 4.09Å; G570-L574 PolarHBondContact O-N 3.02Å; V571-L574 WeakPolarHBondContact O-CB 3.5Å; V571-L574 PolarHBondContact O-N 3.29Å; V571-L574 VanDerWaalsContact O-N 3.07Å; L574-Q576 VanDerWaalsContact C-N 3.31Å; L574-Q576 PolarHBondContact O-N 2.89Å; L574-W595 HydrophobicContact CB-CZ2 4.4Å; L574-T599 HydrophobicContact CB-CG2 4.31Å; L574-T599 HydrophobicContact CD1-CG2 3.81Å; L574-I603 WeakPolarHBondContact O-CD1 3.45Å
575M86.6Confident82.8Confident122 Ų12267.3 Ų67.360%0.60134%0.34SS*.THydrogen-bonded Turntrans-85.55.4178.6-62.4-164.482.700114.4V571 A573 Q577V571-M575 HydrophobicContact CG1-SD 4.47Å; V571-M575 PolarHBondContact O-N 2.86Å; A573-M575 VanDerWaalsContact C-N 3.33Å; A573-M575 PolarHBondContact O-N 2.79Å; M575-Q577 PolarHBondContact O-N 3.32Å; M575-Q577 VanDerWaalsContact O-N 3.08Å
576Q82.7Confident82.8Confident130 Ų13070.8 Ų70.861%0.60736%0.358SS*.THydrogen-bonded Turntrans57.714.4-177-61.2-179.4000115.6G572 A573 L574 I603G572-Q576 PolarHBondContact O-N 2.85Å; A573-Q576 PolarHBondContact O-N 2.79Å; L574-Q576 VanDerWaalsContact C-N 3.31Å; L574-Q576 PolarHBondContact O-N 2.89Å; Q576-I603 HydrophobicContact CG-CD1 3.66Å
577Q81.6Confident82.8Confident165 Ų16572.9 Ų72.977%0.77137%0.372SS*.SBendtrans-89-13.7177.8-69.5-178.4-3.700112.6G572 M575G572-Q577 PolarHBondContact O-N 3.01Å; M575-Q577 PolarHBondContact O-N 3.32Å; M575-Q577 VanDerWaalsContact O-N 3.08Å
578G76.7Confident82.6Confident40 Ų4070.7 Ų70.741%0.41236%0.359SS..  trans77.4178.7-173.500000111.8G572G572-G578 PolarHBondContact O-N 2.86Å
579S77.3Confident82.7Confident30 Ų3069.2 Ų69.221%0.2135%0.353CS..  trans-129.3144.5173.4178.30000108.1L581S579-L581 PolarHBondContact O-N 2.81Å; S579-L581 PolarHBondContact OG-N 3.06Å
580E72.6Confident82.8Confident197 Ų19773.4 Ų73.492%0.92138%0.375SS*.SBendtrans-62.6-17.8172.5-62.4-177.3168.500111.7M582E580-M582 PolarHBondContact O-N 2.87Å
581L73.9Confident82.9Confident33 Ų3374.8 Ų74.817%0.17338%0.383CS..  trans-86.9110.4179.3-59.1173000110.6N560 F561 N565 F569 S579N560-L581 HydrophobicContact CB-CD2 3.84Å; F561-L581 HydrophobicContact CE1-CB 4.24Å; F561-L581 HydrophobicContact CZ-CB 4.37Å; N565-L581 HydrophobicContact CB-CD1 3.62Å; F569-L581 WeakPolarHBondContact CD2-O 3.36Å; F569-L581 WeakPolarHBondContact CE2-O 3.5Å; S579-L581 PolarHBondContact O-N 2.81Å; S579-L581 PolarHBondContact OG-N 3.06Å
582M75.8Confident82.9Confident155 Ų15572.6 Ų72.676%0.76437%0.371SS*.  trans-101.1120.9-179.7-60.2175.67600110.8E580 K584E580-M582 PolarHBondContact O-N 2.87Å; M582-K584 PolarHBondContact O-N 3.34Å
583P81.9Confident83Confident22 Ų2273.7 Ų73.714%0.14338%0.383CS..  trans-65.1127.8174.823.9-30.5000111.2F561 T588 R589F561-P583 HydrophobicContact CE2-CB 4.43Å; F561-P583 HydrophobicContact CZ-CB 4.18Å; P583-T588 WeakPolarHBondContact CB-OG1 3.41Å; P583-R589 HydrophobicContact CB-CG 4.19Å; P583-R589 HydrophobicContact CG-CG 4.12Å; P583-R589 WeakPolarHBondContact O-CG 3.36Å; P583-R589 PolarHBondContact O-NE 2.69Å
584K77.3Confident83.3Confident113 Ų11379 Ų7949%0.49141%0.409SS..  trans-90.3-39.7-179.1-67.9179.9-179.11730112E543 M582 R589E543-K584 PolarHBondContact OE1-N 3.34Å; E543-K584 PolarHBondContact OE2-N 2.78Å; M582-K584 PolarHBondContact O-N 3.34Å; K584-R589 PolarHBondContact O-NE 3.3Å
585A84.2Confident83.5Confident4 Ų477.1 Ų77.13%0.03340%0.398CS..SBendtrans-75.3153-176.700000112.6T540 E543 S587 T588 R589T540-A585 HydrophobicContact CG2-CB 3.64Å; E543-A585 HydrophobicContact CG-CB 3.81Å; E543-A585 PolarHBondContact OE1-N 3.04Å; A585-S587 VanDerWaalsContact C-N 3.33Å; A585-S587 PolarHBondContact O-N 3.38Å; A585-T588 PolarHBondContact O-OG1 3.04Å; A585-R589 WeakPolarHBondContact O-CB 3.17Å; A585-R589 VanDerWaalsContact O-CG 3.22Å; A585-R589 WeakPolarHBondContact O-CG 3.44Å; A585-R589 PolarHBondContact O-N 3.08Å; A585-R589 VanDerWaalsContact O-N 3.1Å
586L84.4Confident83.6Confident131 Ų13178.4 Ų78.469%0.68640%0.397SS*.Hα-helixtrans-64.2-38.8177.9-173.469000112R589 I590L586-R589 PolarHBondContact O-N 3.25Å; L586-I590 HydrophobicContact CG-CD1 4.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.47Å; L586-I590 PolarHBondContact O-N 2.98Å
587S86.3Confident84Confident44 Ų4478.7 Ų78.731%0.30840%0.396SS..Hα-helixtrans-62.1-47.3-179.948.20000112.5T540 A585 I590 V591T540-S587 PolarHBondContact OG1-OG 2.65Å; A585-S587 VanDerWaalsContact C-N 3.33Å; A585-S587 PolarHBondContact O-N 3.38Å; S587-I590 PolarHBondContact O-N 3.4Å; S587-V591 PolarHBondContact O-N 3.43Å
588T85.1Confident84.5Confident1 Ų174.5 Ų74.51%0.00638%0.376CS..Hα-helixtrans-68.9-35.6177.550.60000111.9I536 A537 E543 P583 A585 V591 G592I536-T588 HydrophobicContact CB-CG2 4.48Å; I536-T588 HydrophobicContact CG2-CG2 3.8Å; A537-T588 HydrophobicContact CB-CG2 4.25Å; E543-T588 HydrophobicContact CG-CG2 4.07Å; E543-T588 WeakPolarHBondContact OE1-CB 3.42Å; E543-T588 PolarHBondContact OE1-OG1 3.25Å; P583-T588 WeakPolarHBondContact CB-OG1 3.41Å; A585-T588 PolarHBondContact O-OG1 3.04Å; T588-V591 PolarHBondContact O-N 3.04Å; T588-G592 PolarHBondContact O-N 2.69Å
589R88.4Confident85.2Confident146 Ų14672.9 Ų72.955%0.55136%0.358SS*.Hα-helixtrans-63.5-38.5173.2-75.8175.4-178-174.13.2113.3P583 K584 A585 L586 G592 G593P583-R589 HydrophobicContact CB-CG 4.19Å; P583-R589 HydrophobicContact CG-CG 4.12Å; P583-R589 WeakPolarHBondContact O-CG 3.36Å; P583-R589 PolarHBondContact O-NE 2.69Å; K584-R589 PolarHBondContact O-NE 3.3Å; A585-R589 WeakPolarHBondContact O-CB 3.17Å; A585-R589 VanDerWaalsContact O-CG 3.22Å; A585-R589 WeakPolarHBondContact O-CG 3.44Å; A585-R589 PolarHBondContact O-N 3.08Å; A585-R589 VanDerWaalsContact O-N 3.1Å; L586-R589 PolarHBondContact O-N 3.25Å; R589-G592 PolarHBondContact O-N 3.3Å; R589-G593 PolarHBondContact O-N 3.02Å
590I90.1Very high85.8Confident93 Ų9376.1 Ų76.148%0.47737%0.372SS..Hα-helixtrans-65.3-45.6176.6-69.3165.6000110.3L586 S587 G593 I594L586-I590 HydrophobicContact CG-CD1 4.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.47Å; L586-I590 PolarHBondContact O-N 2.98Å; S587-I590 PolarHBondContact O-N 3.4Å; I590-G593 PolarHBondContact O-N 2.87Å; I590-I594 HydrophobicContact CG2-CD1 3.93Å; I590-I594 WeakPolarHBondContact O-CG1 3.33Å; I590-I594 PolarHBondContact O-N 2.9Å
591V89.6Confident86.7Confident30 Ų3070.7 Ų70.718%0.18235%0.348CS..Hα-helixtrans-61.9-45.6176.9176.60000111V529 V532 L533 I536 S587 T588 G593 I594 W595V529-V591 HydrophobicContact CG1-CG1 4.29Å; V532-V591 HydrophobicContact CG1-CG1 4.34Å; V532-V591 HydrophobicContact CG1-CG2 4.43Å; L533-V591 HydrophobicContact CD2-CB 3.84Å; L533-V591 HydrophobicContact CD2-CG1 3.63Å; L533-V591 HydrophobicContact CG-CB 4.5Å; L533-V591 HydrophobicContact CG-CG1 3.73Å; I536-V591 HydrophobicContact CD1-CG2 3.84Å; S587-V591 PolarHBondContact O-N 3.43Å; T588-V591 PolarHBondContact O-N 3.04Å; V591-G593 PolarHBondContact O-N 3.04Å; V591-I594 PolarHBondContact O-N 3.14Å; V591-W595 WeakPolarHBondContact O-CB 3.43Å; V591-W595 PolarHBondContact O-N 3.18Å
592G87.3Confident87.6Confident4 Ų471 Ų714%0.04135%0.35CS..Hα-helixtrans-61.3-40.6174.900000113.1T588 R589 W595 W596T588-G592 PolarHBondContact O-N 2.69Å; R589-G592 PolarHBondContact O-N 3.3Å; G592-W595 PolarHBondContact O-N 2.96Å; G592-W596 WeakPolarHBondContact O-CB 3.11Å; G592-W596 PolarHBondContact O-N 2.87Å
593G88.6Confident88.3Confident35 Ų3565.2 Ų65.236%0.36132%0.322SS..Hα-helixtrans-66.8-42.2178.500000113.4R589 I590 V591 W596 F597R589-G593 PolarHBondContact O-N 3.02Å; I590-G593 PolarHBondContact O-N 2.87Å; V591-G593 PolarHBondContact O-N 3.04Å; G593-W596 PolarHBondContact O-N 3.35Å; G593-F597 PolarHBondContact O-N 2.84Å
594I91.6Very high88.7Confident117 Ų11766.9 Ų66.960%0.633%0.334SS*.Hα-helixtrans-66.2-41.2174.4-66.9170000110.3I590 V591 F597 F598I590-I594 HydrophobicContact CG2-CD1 3.93Å; I590-I594 WeakPolarHBondContact O-CG1 3.33Å; I590-I594 PolarHBondContact O-N 2.9Å; V591-I594 PolarHBondContact O-N 3.14Å; I594-F597 PolarHBondContact O-N 3.23Å; I594-F598 PolarHBondContact O-N 3.17Å
595W91.3Very high89.3Confident7 Ų764 Ų643%0.02733%0.328CS..Hα-helixtrans-60.4-45.6175178.9-119.7000111.8A525 C526 V529 G570 L574 V591 G592 F597 F598 T599A525-W595 HydrophobicContact CB-CZ3 4.21Å; C526-W595 HydrophobicContact CB-CH2 3.96Å; C526-W595 HydrophobicContact CB-CZ2 4.15Å; V529-W595 HydrophobicContact CB-CD2 4.32Å; V529-W595 HydrophobicContact CB-CE3 4.18Å; V529-W595 HydrophobicContact CG1-CB 4.03Å; V529-W595 HydrophobicContact CG1-CD2 3.94Å; V529-W595 HydrophobicContact CG1-CE3 4.21Å; V529-W595 HydrophobicContact CG1-CG 3.86Å; V529-W595 HydrophobicContact CG2-CD2 4.2Å; V529-W595 HydrophobicContact CG2-CE3 3.61Å; V529-W595 HydrophobicContact CG2-CZ3 3.96Å; G570-W595 PolarHBondContact O-NE1 3Å; L574-W595 HydrophobicContact CB-CZ2 4.4Å; V591-W595 WeakPolarHBondContact O-CB 3.43Å; V591-W595 PolarHBondContact O-N 3.18Å; G592-W595 PolarHBondContact O-N 2.96Å; W595-F597 VanDerWaalsContact C-N 3.33Å; W595-F597 PolarHBondContact O-N 3.39Å; W595-F598 AromaticContact CE3-CD1 3.75Å; W595-F598 HydrophobicContact CE3-CD1 3.75Å; W595-F598 HydrophobicContact CE3-CE1 4.46Å; W595-F598 HydrophobicContact CE3-CG 4.49Å; W595-F598 HydrophobicContact CH2-CD1 4.22Å; W595-F598 HydrophobicContact CH2-CE1 4.27Å; W595-F598 AromaticContact CZ3-CD1 3.43Å; W595-F598 HydrophobicContact CZ3-CD1 3.43Å; W595-F598 VanDerWaalsContact CZ3-CD1 3.43Å; W595-F598 AromaticContact CZ3-CE1 3.7Å; W595-F598 HydrophobicContact CZ3-CE1 3.7Å; W595-F598 HydrophobicContact CZ3-CG 4.49Å; W595-F598 WeakPolarHBondContact O-CB 3.48Å; W595-F598 PolarHBondContact O-N 2.9Å; W595-T599 HydrophobicContact CD2-CG2 3.8Å; W595-T599 VanDerWaalsContact CE2-CG2 3.44Å; W595-T599 HydrophobicContact CE3-CG2 4.22Å; W595-T599 HydrophobicContact CG-CG2 4.35Å; W595-T599 HydrophobicContact CH2-CG2 4.06Å; W595-T599 HydrophobicContact CZ2-CG2 3.58Å; W595-T599 HydrophobicContact CZ3-CG2 4.35Å; W595-T599 WeakPolarHBondContact O-CG2 3.16Å; W595-T599 PolarHBondContact O-N 2.8Å; W595-T599 PolarHBondContact O-OG1 3.12Å
596W89.8Confident89.7Confident149 Ų14966.1 Ų66.156%0.56434%0.336SS*.Hα-helixtrans-59-41.7175.4-77.4-6.4000113.2G592 G593 T599 L600G592-W596 WeakPolarHBondContact O-CB 3.11Å; G592-W596 PolarHBondContact O-N 2.87Å; G593-W596 PolarHBondContact O-N 3.35Å; W596-T599 WeakPolarHBondContact CA-OG1 3.44Å; W596-T599 PolarHBondContact O-OG1 3.22Å; W596-L600 VanDerWaalsContact O-CB 3.27Å; W596-L600 WeakPolarHBondContact O-CB 3.35Å; W596-L600 PolarHBondContact O-N 3.38Å
597F91.3Very high89.9Confident137 Ų13763.7 Ų63.760%0.60133%0.326SS*.Hα-helixtrans-64.1-43.4175.6-176.6-109.2000111.7G593 I594 W595 L600 I601G593-F597 PolarHBondContact O-N 2.84Å; I594-F597 PolarHBondContact O-N 3.23Å; W595-F597 VanDerWaalsContact C-N 3.33Å; W595-F597 PolarHBondContact O-N 3.39Å; F597-L600 PolarHBondContact O-N 3.12Å; F597-I601 HydrophobicContact CD1-CD1 3.89Å; F597-I601 HydrophobicContact CE1-CD1 3.41Å; F597-I601 VanDerWaalsContact CE1-CD1 3.41Å; F597-I601 HydrophobicContact CE2-CD1 4.26Å; F597-I601 HydrophobicContact CZ-CD1 3.64Å; F597-I601 HydrophobicContact CZ-CG1 4.46Å; F597-I601 WeakPolarHBondContact O-CG1 3.12Å; F597-I601 PolarHBondContact O-N 3.28Å; F597-I601 VanDerWaalsContact O-N 3.15Å
598F91.8Very high90Very high77 Ų7764.3 Ų64.334%0.33833%0.334SS..Hα-helixtrans-61.6-49.1176.1175.8-96.9000112.1A525 I594 W595 L600 I601 I602A525-F598 HydrophobicContact CB-CE1 4.43Å; I594-F598 PolarHBondContact O-N 3.17Å; W595-F598 AromaticContact CE3-CD1 3.75Å; W595-F598 HydrophobicContact CE3-CD1 3.75Å; W595-F598 HydrophobicContact CE3-CE1 4.46Å; W595-F598 HydrophobicContact CE3-CG 4.49Å; W595-F598 HydrophobicContact CH2-CD1 4.22Å; W595-F598 HydrophobicContact CH2-CE1 4.27Å; W595-F598 AromaticContact CZ3-CD1 3.43Å; W595-F598 HydrophobicContact CZ3-CD1 3.43Å; W595-F598 VanDerWaalsContact CZ3-CD1 3.43Å; W595-F598 AromaticContact CZ3-CE1 3.7Å; W595-F598 HydrophobicContact CZ3-CE1 3.7Å; W595-F598 HydrophobicContact CZ3-CG 4.49Å; W595-F598 WeakPolarHBondContact O-CB 3.48Å; W595-F598 PolarHBondContact O-N 2.9Å; F598-L600 VanDerWaalsContact C-N 3.3Å; F598-L600 PolarHBondContact O-N 2.93Å; F598-I601 PolarHBondContact O-N 3.49Å; F598-I602 HydrophobicContact CD1-CG1 4.33Å; F598-I602 HydrophobicContact CE1-CG1 3.88Å; F598-I602 HydrophobicContact CE2-CD1 4.27Å; F598-I602 HydrophobicContact CE2-CG1 4.09Å; F598-I602 HydrophobicContact CZ-CD1 4.07Å; F598-I602 HydrophobicContact CZ-CG1 3.75Å; F598-I602 WeakPolarHBondContact O-CG1 3.23Å; F598-I602 PolarHBondContact O-N 3.22Å
599T90.7Very high90.1Very high6 Ų667.6 Ų67.64%0.03735%0.352CS..Hα-helixtrans-63.5-36.7179.354.40000111.8L574 W595 W596 I601 I602 I603L574-T599 HydrophobicContact CB-CG2 4.31Å; L574-T599 HydrophobicContact CD1-CG2 3.81Å; W595-T599 HydrophobicContact CD2-CG2 3.8Å; W595-T599 VanDerWaalsContact CE2-CG2 3.44Å; W595-T599 HydrophobicContact CE3-CG2 4.22Å; W595-T599 HydrophobicContact CG-CG2 4.35Å; W595-T599 HydrophobicContact CH2-CG2 4.06Å; W595-T599 HydrophobicContact CZ2-CG2 3.58Å; W595-T599 HydrophobicContact CZ3-CG2 4.35Å; W595-T599 WeakPolarHBondContact O-CG2 3.16Å; W595-T599 PolarHBondContact O-N 2.8Å; W595-T599 PolarHBondContact O-OG1 3.12Å; W596-T599 WeakPolarHBondContact CA-OG1 3.44Å; W596-T599 PolarHBondContact O-OG1 3.22Å; T599-I601 PolarHBondContact O-N 2.9Å; T599-I602 PolarHBondContact O-N 3.48Å; T599-I603 WeakPolarHBondContact O-CB 3.34Å; T599-I603 VanDerWaalsContact O-CD1 3.32Å; T599-I603 WeakPolarHBondContact O-CD1 3.39Å; T599-I603 WeakPolarHBondContact O-CG1 3.46Å; T599-I603 PolarHBondContact O-N 2.75Å
600L90.3Very high89.9Confident98 Ų9862.7 Ų62.751%0.51334%0.336SS..Hα-helixtrans-60-46.2175.3-172.9156.2000111.4W596 F597 F598 S604W596-L600 VanDerWaalsContact O-CB 3.27Å; W596-L600 WeakPolarHBondContact O-CB 3.35Å; W596-L600 PolarHBondContact O-N 3.38Å; F597-L600 PolarHBondContact O-N 3.12Å; F598-L600 VanDerWaalsContact C-N 3.3Å; F598-L600 PolarHBondContact O-N 2.93Å; L600-S604 VanDerWaalsContact O-CB 3.26Å; L600-S604 WeakPolarHBondContact O-CB 3.3Å; L600-S604 PolarHBondContact O-N 3.15Å; L600-S604 PolarHBondContact O-OG 3.29Å
601I91.9Very high89.3Confident82 Ų8261 Ų6142%0.42134%0.335SS..Hα-helixtrans-62.7-48.3178.5-68.3169.6000110.9F597 F598 T599 I603 S604 S605F597-I601 HydrophobicContact CD1-CD1 3.89Å; F597-I601 HydrophobicContact CE1-CD1 3.41Å; F597-I601 VanDerWaalsContact CE1-CD1 3.41Å; F597-I601 HydrophobicContact CE2-CD1 4.26Å; F597-I601 HydrophobicContact CZ-CD1 3.64Å; F597-I601 HydrophobicContact CZ-CG1 4.46Å; F597-I601 WeakPolarHBondContact O-CG1 3.12Å; F597-I601 PolarHBondContact O-N 3.28Å; F597-I601 VanDerWaalsContact O-N 3.15Å; F598-I601 PolarHBondContact O-N 3.49Å; T599-I601 PolarHBondContact O-N 2.9Å; I601-I603 PolarHBondContact O-N 3.08Å; I601-S604 PolarHBondContact O-N 3.09Å; I601-S605 WeakPolarHBondContact O-CB 3.43Å; I601-S605 PolarHBondContact O-N 3Å
602I91.3Very high88.9Confident39 Ų3962.1 Ų62.120%0.235%0.348CS..Hα-helixtrans-61.4-46.2-177.7-67.7-64.1000111.3V522 F598 T599 S605 Y606V522-I602 HydrophobicContact CG2-CG2 4.17Å; F598-I602 HydrophobicContact CD1-CG1 4.33Å; F598-I602 HydrophobicContact CE1-CG1 3.88Å; F598-I602 HydrophobicContact CE2-CD1 4.27Å; F598-I602 HydrophobicContact CE2-CG1 4.09Å; F598-I602 HydrophobicContact CZ-CD1 4.07Å; F598-I602 HydrophobicContact CZ-CG1 3.75Å; F598-I602 WeakPolarHBondContact O-CG1 3.23Å; F598-I602 PolarHBondContact O-N 3.22Å; T599-I602 PolarHBondContact O-N 3.48Å; I602-S605 PolarHBondContact O-N 3.37Å; I602-Y606 WeakPolarHBondContact O-CB 3.38Å; I602-Y606 PolarHBondContact O-N 3.47Å
603I90.4Very high88.3Confident35 Ų3566.1 Ų66.118%0.17936%0.364CS..Hα-helixtrans-68.1-41.2-178.8-62.2161.1000110.6L574 Q576 T599 I601 S605 Y606 T607L574-I603 WeakPolarHBondContact O-CD1 3.45Å; Q576-I603 HydrophobicContact CG-CD1 3.66Å; T599-I603 WeakPolarHBondContact O-CB 3.34Å; T599-I603 VanDerWaalsContact O-CD1 3.32Å; T599-I603 WeakPolarHBondContact O-CD1 3.39Å; T599-I603 WeakPolarHBondContact O-CG1 3.46Å; T599-I603 PolarHBondContact O-N 2.75Å; I601-I603 PolarHBondContact O-N 3.08Å; I603-S605 VanDerWaalsContact C-N 3.32Å; I603-S605 PolarHBondContact O-N 3.24Å; I603-Y606 PolarHBondContact O-N 3.29Å; I603-T607 HydrophobicContact CG2-CG2 4.39Å; I603-T607 WeakPolarHBondContact O-CG2 3.4Å; I603-T607 PolarHBondContact O-N 3.12Å; I603-T607 PolarHBondContact O-OG1 3.06Å
604S90.3Very high87.6Confident57 Ų5767.2 Ų67.240%0.39936%0.362SS..Hα-helixtrans-63.8-37.7177-56.20000112.1L600 I601 T607 A608L600-S604 VanDerWaalsContact O-CB 3.26Å; L600-S604 WeakPolarHBondContact O-CB 3.3Å; L600-S604 PolarHBondContact O-N 3.15Å; L600-S604 PolarHBondContact O-OG 3.29Å; I601-S604 PolarHBondContact O-N 3.09Å; S604-T607 PolarHBondContact O-OG1 3.03Å; S604-A608 WeakPolarHBondContact O-CB 3.43Å; S604-A608 PolarHBondContact O-N 3.22Å; S604-A608 VanDerWaalsContact O-N 3.1Å
605S91.3Very high86.6Confident53 Ų5366.4 Ų66.437%0.37136%0.363SS..Hα-helixtrans-69-38.1174.2-173.80000112I601 I602 I603 N609I601-S605 WeakPolarHBondContact O-CB 3.43Å; I601-S605 PolarHBondContact O-N 3Å; I602-S605 PolarHBondContact O-N 3.37Å; I603-S605 VanDerWaalsContact C-N 3.32Å; I603-S605 PolarHBondContact O-N 3.24Å; S605-N609 WeakPolarHBondContact O-CB 3.33Å; S605-N609 PolarHBondContact O-N 3.23Å
606Y91.1Very high85.4Confident48 Ų4869.5 Ų69.519%0.18838%0.382CS..Hα-helixtrans-64.7-46.9176.3171.1-99.3000111.3F510 P513 L514 W519 I602 I603 A608 N609 L610F510-Y606 WeakPolarHBondContact O-CE2 3.4Å; F510-Y606 PolarHBondContact O-OH 2.9Å; F510-Y606 VanDerWaalsContact O-OH 3.06Å; P513-Y606 HydrophobicContact CB-CD2 4.28Å; P513-Y606 HydrophobicContact CB-CE2 4.26Å; P513-Y606 HydrophobicContact CG-CE2 4.17Å; L514-Y606 HydrophobicContact CD1-CD2 4.04Å; L514-Y606 HydrophobicContact CG-CD2 4.27Å; W519-Y606 HydrophobicContact CH2-CE2 4.39Å; W519-Y606 HydrophobicContact CZ2-CD2 4.28Å; W519-Y606 HydrophobicContact CZ2-CE2 4.05Å; I602-Y606 WeakPolarHBondContact O-CB 3.38Å; I602-Y606 PolarHBondContact O-N 3.47Å; I603-Y606 PolarHBondContact O-N 3.29Å; Y606-A608 VanDerWaalsContact C-N 3.33Å; Y606-A608 PolarHBondContact O-N 2.79Å; Y606-N609 PolarHBondContact O-N 3.38Å; Y606-L610 HydrophobicContact CE1-CD2 4.03Å; Y606-L610 WeakPolarHBondContact O-CB 3.35Å; Y606-L610 PolarHBondContact O-N 3.36Å
607T89.5Confident84Confident80 Ų8068.8 Ų68.849%0.49139%0.385SS..Hα-helixtrans-64.2-38.3178.854.90000111.9I603 S604 A611I603-T607 HydrophobicContact CG2-CG2 4.39Å; I603-T607 WeakPolarHBondContact O-CG2 3.4Å; I603-T607 PolarHBondContact O-N 3.12Å; I603-T607 PolarHBondContact O-OG1 3.06Å; S604-T607 PolarHBondContact O-OG1 3.03Å; T607-A611 WeakPolarHBondContact O-CB 3.43Å; T607-A611 PolarHBondContact O-N 3.48Å; T607-A611 VanDerWaalsContact O-N 3.08Å
608A88.8Confident82.4Confident56 Ų5672.4 Ų72.446%0.46340%0.395SS..Hα-helixtrans-63.9-48.6174.300000112.6S604 Y606 A611 A612S604-A608 WeakPolarHBondContact O-CB 3.43Å; S604-A608 PolarHBondContact O-N 3.22Å; S604-A608 VanDerWaalsContact O-N 3.1Å; Y606-A608 VanDerWaalsContact C-N 3.33Å; Y606-A608 PolarHBondContact O-N 2.79Å; A608-A611 PolarHBondContact O-N 3.26Å; A608-A612 PolarHBondContact O-N 3.25Å
609N87.3Confident80.8Confident71 Ų7173.7 Ų73.738%0.3840%0.403SS..Hα-helixtrans-69-36.1180-74.5-6.6000112.4P513 S605 Y606 A612 F613P513-N609 HydrophobicContact CB-CB 3.98Å; P513-N609 PolarHBondContact O-ND2 3.32Å; S605-N609 WeakPolarHBondContact O-CB 3.33Å; S605-N609 PolarHBondContact O-N 3.23Å; Y606-N609 PolarHBondContact O-N 3.38Å; N609-A612 PolarHBondContact O-N 3.04Å; N609-F613 VanDerWaalsContact O-CB 3.31Å; N609-F613 WeakPolarHBondContact O-CB 3.5Å; N609-F613 PolarHBondContact O-N 2.98Å
610L83.4Confident79.5Confident43 Ų4379.7 Ų79.723%0.22544%0.435CS..Hα-helixtrans-62.9-44.4175.2179.466.5000110.8P513 Y606 A612 F613 L614P513-L610 HydrophobicContact CB-CB 4.4Å; P513-L610 HydrophobicContact CG-CB 4Å; P513-L610 HydrophobicContact CG-CD1 3.67Å; P513-L610 HydrophobicContact CG-CG 4.45Å; Y606-L610 HydrophobicContact CE1-CD2 4.03Å; Y606-L610 WeakPolarHBondContact O-CB 3.35Å; Y606-L610 PolarHBondContact O-N 3.36Å; L610-A612 VanDerWaalsContact C-N 3.35Å; L610-A612 PolarHBondContact O-N 3.47Å; L610-F613 PolarHBondContact O-N 3.09Å; L610-L614 HydrophobicContact CD1-CD1 4.14Å; L610-L614 HydrophobicContact CD1-CG 4.31Å; L610-L614 HydrophobicContact CG-CD1 3.98Å; L610-L614 WeakPolarHBondContact O-CB 3.49Å; L610-L614 VanDerWaalsContact O-CG 3.27Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.41Å
611A78.3Confident78.5Confident56 Ų5676.6 Ų76.646%0.46342%0.421SS..Hα-helixtrans-61.5-42175.300000112.1T607 A608 T615T607-A611 WeakPolarHBondContact O-CB 3.43Å; T607-A611 PolarHBondContact O-N 3.48Å; T607-A611 VanDerWaalsContact O-N 3.08Å; A608-A611 PolarHBondContact O-N 3.26Å; A611-T615 WeakPolarHBondContact O-CG2 3.27Å; A611-T615 PolarHBondContact O-N 3.49Å; A611-T615 PolarHBondContact O-OG1 2.85Å
612A79.9Confident77.7Confident54 Ų5476.6 Ų76.645%0.44643%0.427SS..Hα-helixtrans-65.6-38.4174.900000112.9A608 N609 L610 T615 V616A608-A612 PolarHBondContact O-N 3.25Å; N609-A612 PolarHBondContact O-N 3.04Å; L610-A612 VanDerWaalsContact C-N 3.35Å; L610-A612 PolarHBondContact O-N 3.47Å; A612-T615 WeakPolarHBondContact CA-OG1 3.41Å; A612-T615 PolarHBondContact O-N 3.07Å; A612-T615 PolarHBondContact O-OG1 3.23Å; A612-V616 PolarHBondContact O-N 2.93Å
613F76.1Confident77.3Confident88 Ų8874.9 Ų74.939%0.38642%0.418SS..Hα-helixtrans-67.2-43.1178.8-172.6-93.3000111.8S509 N512 N609 L610 T615 V616S509-F613 WeakPolarHBondContact OG-CE1 3.48Å; N512-F613 HydrophobicContact CB-CE2 4.35Å; N512-F613 HydrophobicContact CB-CZ 4.19Å; N609-F613 VanDerWaalsContact O-CB 3.31Å; N609-F613 WeakPolarHBondContact O-CB 3.5Å; N609-F613 PolarHBondContact O-N 2.98Å; L610-F613 PolarHBondContact O-N 3.09Å; F613-T615 PolarHBondContact O-N 3.22Å; F613-V616 PolarHBondContact O-N 2.93Å
614L73.6Confident77Confident58 Ų5878.6 Ų78.630%0.30444%0.438SS..Hα-helixtrans-68.5-22.3179.5-70.3167.9000113.6L610 L770 N774L610-L614 HydrophobicContact CD1-CD1 4.14Å; L610-L614 HydrophobicContact CD1-CG 4.31Å; L610-L614 HydrophobicContact CG-CD1 3.98Å; L610-L614 WeakPolarHBondContact O-CB 3.49Å; L610-L614 VanDerWaalsContact O-CG 3.27Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.41Å; L614-L770 HydrophobicContact CD1-CD2 3.87Å; L614-L770 HydrophobicContact CD2-CD2 4.32Å; L614-N774 HydrophobicContact CD2-CB 4.3Å
615T70.2Confident76.9Confident101 Ų10178.1 Ų78.162%0.6244%0.435SS*.Hα-helixtrans-87.4-16.1178.147.50000113A611 A612 F613A611-T615 WeakPolarHBondContact O-CG2 3.27Å; A611-T615 PolarHBondContact O-N 3.49Å; A611-T615 PolarHBondContact O-OG1 2.85Å; A612-T615 WeakPolarHBondContact CA-OG1 3.41Å; A612-T615 PolarHBondContact O-N 3.07Å; A612-T615 PolarHBondContact O-OG1 3.23Å; F613-T615 PolarHBondContact O-N 3.22Å
616V65.8Low76.7Confident72 Ų7275.9 Ų75.944%0.43642%0.42SS..  trans-123.884.1-175.9-169.10000110.4A612 F613 R618A612-V616 PolarHBondContact O-N 2.93Å; F613-V616 PolarHBondContact O-N 2.93Å; V616-R618 HydrophobicContact CG1-CG 3.62Å; V616-R618 PolarHBondContact O-N 3.39Å; V616-R618 VanDerWaalsContact O-N 3.09Å
617E60.5Low76.6Confident133 Ų13376.8 Ų76.862%0.62143%0.428SS*.  trans-71.1101158.7-69.1-176.2179.400108.4
618R58.4Low76.6Confident214 Ų21475.6 Ų75.681%0.80842%0.418SS*.  trans-82121.3169.7-66.8-166.8175.5167.6-0.9108.3V616 D620V616-R618 HydrophobicContact CG1-CG 3.62Å; V616-R618 PolarHBondContact O-N 3.39Å; V616-R618 VanDerWaalsContact O-N 3.09Å; R618-D620 PolarHBondContact O-N 2.79Å
619M58.5Low76.6Confident103 Ų10373 Ų7351%0.50740%0.396SS..  trans-69.5111.1163.3-63.4-173.3-168.500107K499 S621K499-M619 WeakPolarHBondContact CE-SD 3.45Å; M619-S621 PolarHBondContact O-N 3.21Å
620D63.8Low76.7Confident132 Ų13270.8 Ų70.871%0.70639%0.389SS*.  trans-81.2114175-158.210.1000108.5R618R618-D620 PolarHBondContact O-N 2.79Å
621S69.1Low77Confident33 Ų3376.8 Ų76.823%0.23141%0.413CS..  trans-89129.8178.4-177.10000109.2M619 I623M619-S621 PolarHBondContact O-N 3.21Å; S621-I623 PolarHBondContact O-N 3.47Å; S621-I623 PolarHBondContact OG-O 2.93Å
622P75.2Confident77.4Confident83 Ų8376.4 Ų76.454%0.53940%0.401SS..SBendtrans-68.1-14.6178.928-34.5000113.5Y497Y497-P622 HydrophobicContact CE1-CG 4.34Å
623I82.9Confident77.7Confident2 Ų278.8 Ų78.81%0.0141%0.411CS..  trans-141136.2179.846.2163.8000110.3I495 Y497 S621 D628 L629 I635 I710I495-I623 HydrophobicContact CG2-CD1 4.43Å; Y497-I623 HydrophobicContact CD1-CD1 4.5Å; Y497-I623 HydrophobicContact CD2-CD1 4.44Å; Y497-I623 HydrophobicContact CG-CD1 4.2Å; S621-I623 PolarHBondContact O-N 3.47Å; S621-I623 PolarHBondContact OG-O 2.93Å; I623-D628 HydrophobicContact CG2-CB 4.45Å; I623-L629 HydrophobicContact CD1-CD2 4.09Å; I623-L629 HydrophobicContact CD1-CG 4.43Å; I623-L629 HydrophobicContact CG2-CD2 4.03Å; I623-L629 HydrophobicContact CG2-CG 4.32Å; I623-I635 HydrophobicContact CG2-CD1 3.97Å; I623-I710 HydrophobicContact CB-CG2 4.47Å; I623-I710 HydrophobicContact CD1-CD1 3.71Å; I623-I710 HydrophobicContact CD1-CG2 4.2Å; I623-I710 HydrophobicContact CG1-CD1 3.63Å; I623-I710 HydrophobicContact CG1-CG2 4.07Å; I623-I710 WeakPolarHBondContact O-CG2 3.44Å
624D83.7Confident78.3Confident113 Ų11383 Ų8360%0.60443%0.429SS*.SBendtrans-119.6-31.8174.1-79.9-23.9000112.2G711D624-G711 WeakPolarHBondContact O-CA 3.45Å
625S87.4Confident79Confident48 Ų4880.8 Ų80.834%0.33642%0.417SS..SBendtrans-128.2158.9-178.1-178.90000113.3D627 D628S625-D627 PolarHBondContact O-N 2.84Å; S625-D627 PolarHBondContact OG-N 3.07Å; S625-D628 PolarHBondContact N-OD2 3.46Å; S625-D628 PolarHBondContact O-N 3.05Å; S625-D628 VanDerWaalsContact O-N 3.12Å
626A86.9Confident80Confident6 Ų678.1 Ų78.15%0.0540%0.397CS..Hα-helixtrans-59.9-27.5169.200000112.7I495 D628 L629 A630 Y657 M660 I714I495-A626 HydrophobicContact CD1-CB 4.25Å; A626-D628 VanDerWaalsContact C-N 3.3Å; A626-D628 PolarHBondContact O-N 2.93Å; A626-L629 PolarHBondContact O-N 3.37Å; A626-A630 PolarHBondContact O-N 3.21Å; A626-A630 VanDerWaalsContact O-N 3.13Å; A626-Y657 HydrophobicContact CB-CE1 4.46Å; A626-M660 HydrophobicContact CB-CE 4.45Å; A626-M660 HydrophobicContact CB-SD 4.3Å; A626-I714 HydrophobicContact CB-CD1 3.95Å; A626-I714 HydrophobicContact CB-CG1 4.39Å
627D88.8Confident81.3Confident66 Ų6674.9 Ų74.935%0.35338%0.377SS..Hα-helixtrans-65-34175.1-74.2-44.7000112.2S625 A630 K631 T656S625-D627 PolarHBondContact O-N 2.84Å; S625-D627 PolarHBondContact OG-N 3.07Å; D627-A630 PolarHBondContact O-N 3.22Å; D627-K631 WeakPolarHBondContact O-CG 3.35Å; D627-K631 PolarHBondContact O-N 3Å; D627-K631 VanDerWaalsContact O-N 3.1Å; D627-T656 WeakPolarHBondContact OD1-CB 3.49Å; D627-T656 WeakPolarHBondContact OD1-CG2 3.46Å; D627-T656 PolarHBondContact OD1-OG1 3.27Å
628D89.4Confident82.9Confident56 Ų5668.5 Ų68.530%0.29935%0.348SS..Hα-helixtrans-69.7-41.3179.6-57.8-34.9000110.2I623 S625 A626 A630 K631 Q632I623-D628 HydrophobicContact CG2-CB 4.45Å; S625-D628 PolarHBondContact N-OD2 3.46Å; S625-D628 PolarHBondContact O-N 3.05Å; S625-D628 VanDerWaalsContact O-N 3.12Å; A626-D628 VanDerWaalsContact C-N 3.3Å; A626-D628 PolarHBondContact O-N 2.93Å; D628-A630 PolarHBondContact O-N 3.49Å; D628-K631 PolarHBondContact O-N 2.85Å; D628-K631 VanDerWaalsContact O-N 3.15Å; D628-K631 IonicContact OD1-NZ 2.98Å; D628-Q632 WeakPolarHBondContact O-CG 3.47Å; D628-Q632 PolarHBondContact O-N 3.4Å; D628-Q632 VanDerWaalsContact O-N 3.13Å
629L88.9Confident84.5Confident0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-57.9-36.6170.6-74.3174.9000112.4I495 I623 A626 I635 Y637 M660 A689I495-L629 HydrophobicContact CD1-CD1 3.72Å; I495-L629 HydrophobicContact CG1-CD1 4.21Å; I495-L629 HydrophobicContact CG2-CD1 4.15Å; I623-L629 HydrophobicContact CD1-CD2 4.09Å; I623-L629 HydrophobicContact CD1-CG 4.43Å; I623-L629 HydrophobicContact CG2-CD2 4.03Å; I623-L629 HydrophobicContact CG2-CG 4.32Å; A626-L629 PolarHBondContact O-N 3.37Å; L629-I635 HydrophobicContact CD2-CB 4.46Å; L629-I635 HydrophobicContact CD2-CG2 4.29Å; L629-Y637 HydrophobicContact CB-CD1 4.12Å; L629-Y637 HydrophobicContact CB-CE1 4.22Å; L629-Y637 HydrophobicContact CD2-CD1 4.14Å; L629-Y637 WeakPolarHBondContact O-CE1 3.28Å; L629-M660 HydrophobicContact CB-CE 4.45Å; L629-A689 HydrophobicContact CD1-CB 4.32Å; L629-A689 HydrophobicContact CD2-CB 4.26Å
630A89.4Confident86Confident26 Ų2654.8 Ų54.822%0.21529%0.293CS..Hα-helixtrans-74.4-25.817900000113.6A626 D627 D628 T656 M660A626-A630 PolarHBondContact O-N 3.21Å; A626-A630 VanDerWaalsContact O-N 3.13Å; D627-A630 PolarHBondContact O-N 3.22Å; D628-A630 PolarHBondContact O-N 3.49Å; A630-T656 HydrophobicContact CB-CG2 3.55Å; A630-M660 HydrophobicContact CB-CG 3.77Å; A630-M660 HydrophobicContact CB-SD 4.44Å
631K89.4Confident87.1Confident169 Ų16952.8 Ų52.874%0.73528%0.276SS*.Hα-helixtrans-82.7-30.2178.7-71169.1-169.6163.30112.8D627 D628D627-K631 WeakPolarHBondContact O-CG 3.35Å; D627-K631 PolarHBondContact O-N 3Å; D627-K631 VanDerWaalsContact O-N 3.1Å; D628-K631 PolarHBondContact O-N 2.85Å; D628-K631 VanDerWaalsContact O-N 3.15Å; D628-K631 IonicContact OD1-NZ 2.98Å
632Q87.5Confident87.7Confident48 Ų4854.9 Ų54.922%0.22428%0.284CS..  trans-103.7158.1-176.470.28846.700112.5D628 I635D628-Q632 WeakPolarHBondContact O-CG 3.47Å; D628-Q632 PolarHBondContact O-N 3.4Å; D628-Q632 VanDerWaalsContact O-N 3.13Å; Q632-I635 PolarHBondContact NE2-O 2.94Å
633T86.3Confident88.1Confident104 Ų10451.7 Ų51.764%0.63827%0.267SS*.SBendtrans-125.36.3178.8610000113.4
634K87.8Confident88.2Confident176 Ų17652.1 Ų52.177%0.76527%0.27SS*.SBendtrans-77.4-49.3-177.1-175.9-177175.9-171.60110.7
635I89.4Confident88.5Confident12 Ų1247.3 Ų47.36%0.06224%0.244CC..SBendtrans-84.9120.9175.6-55.4166.3000108Y497 I623 L629 Q632 A689Y497-I635 HydrophobicContact CE2-CG2 3.78Å; I623-I635 HydrophobicContact CG2-CD1 3.97Å; L629-I635 HydrophobicContact CD2-CB 4.46Å; L629-I635 HydrophobicContact CD2-CG2 4.29Å; Q632-I635 PolarHBondContact NE2-O 2.94Å; I635-A689 HydrophobicContact CG2-CB 4.23Å
636E91.2Very high88.6Confident44 Ų4446.6 Ų46.621%0.20624%0.236CC..EExtended strand (participates in β ladder)trans-74.7148.6172.7-69.4-158.8142.800110.2R667 R682 D687 Y688 A689E636-R667 IonicContact OE1-CZ 3.25Å; E636-R667 IonicContact OE1-NH1 3.35Å; E636-R667 PolarHBondContact OE1-NH1 3.5Å; E636-R682 IonicContact OE2-NH2 3.99Å; E636-R682 PolarHBondContact OE2-NH2 3.39Å; E636-D687 PolarHBondContact N-O 3.09Å; E636-Y688 HydrophobicContact CB-CD2 3.8Å; E636-Y688 CarbonylContact O-C 3.55Å; E636-Y688 VanDerWaalsContact O-CA 3.24Å; E636-Y688 WeakPolarHBondContact O-CA 3.25Å; E636-Y688 WeakPolarHBondContact O-CD2 3.43Å; E636-A689 PolarHBondContact O-N 3.27Å
637Y92.8Very high88.7Confident4 Ų449.2 Ų49.22%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-143.4155.6175.857.6-93.2000112.1L629 M660 F663 M664 A689L629-Y637 HydrophobicContact CB-CD1 4.12Å; L629-Y637 HydrophobicContact CB-CE1 4.22Å; L629-Y637 HydrophobicContact CD2-CD1 4.14Å; L629-Y637 WeakPolarHBondContact O-CE1 3.28Å; Y637-M660 HydrophobicContact CD2-CE 3.97Å; Y637-M660 HydrophobicContact CE2-CB 3.87Å; Y637-M660 HydrophobicContact CE2-CE 3.8Å; Y637-M660 HydrophobicContact CE2-CG 4.03Å; Y637-F663 HydrophobicContact CD1-CD1 4.35Å; Y637-F663 HydrophobicContact CD1-CE1 4.13Å; Y637-F663 HydrophobicContact CD2-CD1 4.28Å; Y637-F663 AromaticContact CE1-CD1 3.79Å; Y637-F663 HydrophobicContact CE1-CD1 3.79Å; Y637-F663 AromaticContact CE1-CE1 3.88Å; Y637-F663 HydrophobicContact CE1-CE1 3.88Å; Y637-F663 HydrophobicContact CE1-CG 4.38Å; Y637-F663 AromaticContact CE2-CD1 3.69Å; Y637-F663 HydrophobicContact CE2-CD1 3.69Å; Y637-F663 HydrophobicContact CE2-CE1 4.36Å; Y637-F663 HydrophobicContact CE2-CG 4.42Å; Y637-F663 HydrophobicContact CG-CE1 4.49Å; Y637-F663 AromaticContact CZ-CD1 3.43Å; Y637-F663 VanDerWaalsContact CZ-CD1 3.43Å; Y637-F663 AromaticContact CZ-CG 3.9Å; Y637-F663 WeakPolarHBondContact OH-CB 3.35Å; Y637-M664 HydrophobicContact CD2-CG 4.26Å; Y637-M664 HydrophobicContact CE2-CG 4.23Å; Y637-A689 WeakPolarHBondContact CA-O 3.37Å; Y637-A689 WeakPolarHBondContact CB-O 3.25Å
638G93.5Very high88.8Confident0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-179.1-167.7175.700000114.9A671 Y688 A689 L691G638-A671 VanDerWaalsContact CA-O 3.31Å; G638-A671 WeakPolarHBondContact CA-O 3.46Å; G638-Y688 VanDerWaalsContact CA-OH 3.24Å; G638-Y688 WeakPolarHBondContact CA-OH 3.46Å; G638-Y688 PolarHBondContact N-OH 3.24Å; G638-Y688 PolarHBondContact O-OH 2.98Å; G638-A689 PolarHBondContact N-O 2.84Å; G638-L691 WeakPolarHBondContact O-CB 3.42Å; G638-L691 PolarHBondContact O-N 2.71Å
639A92.8Very high88.9Confident0 Ų046 Ų460%023%0.232CC..  trans-139.5170.6-169.700000111.6T645 L672 V673 L691A639-T645 HydrophobicContact CB-CG2 4Å; A639-L672 HydrophobicContact CB-CD2 4.49Å; A639-L672 WeakPolarHBondContact O-CA 3.13Å; A639-L672 WeakPolarHBondContact O-CD2 3.45Å; A639-V673 PolarHBondContact O-N 3.35Å; A639-L691 HydrophobicContact CB-CB 4.39Å
640V90.3Very high89Confident28 Ų2851.7 Ų51.717%0.1726%0.257CS..BIsolated β-bridgetrans-72137.5176.5-172.90000111.4G643 V673 K674 N676V640-G643 PolarHBondContact O-N 2.99Å; V640-V673 WeakPolarHBondContact CA-O 3.33Å; V640-V673 HydrophobicContact CB-CG2 4.48Å; V640-V673 HydrophobicContact CG2-CG2 3.97Å; V640-K674 VanDerWaalsContact CG1-O 3.27Å; V640-K674 WeakPolarHBondContact CG1-O 3.46Å; V640-N676 WeakPolarHBondContact CG2-OD1 3.47Å
641R86.1Confident88.9Confident91 Ų9156.8 Ų56.834%0.34327%0.274SS..THydrogen-bonded Turntrans-62.3144.7174.8-68.9179.3-177.9-153-4.5111.2G643 K668 L672 V673R641-G643 PolarHBondContact O-N 3Å; R641-K668 PolarHBondContact NH2-O 3.32Å; R641-L672 HydrophobicContact CG-CB 3.71Å; R641-L672 PolarHBondContact NE-O 3.39Å; R641-V673 WeakPolarHBondContact CG-O 3.48Å; R641-V673 PolarHBondContact N-O 2.74Å
642D81.4Confident89Confident76 Ų7649.7 Ų49.741%0.40625%0.246SC..THydrogen-bonded Turntrans57.212.8-177.4-56.2-24.6000114.4K443 A446K443-D642 IonicContact NZ-OD2 3.27Å; K443-D642 PolarHBondContact NZ-OD2 3.17Å; A446-D642 HydrophobicContact CB-CB 4.25Å
643G84Confident89.1Confident16 Ų1656.5 Ų56.517%0.16527%0.274CS..  trans-84.5158.9179.900000114V640 R641 T645 M646 T647V640-G643 PolarHBondContact O-N 2.99Å; R641-G643 PolarHBondContact O-N 3Å; G643-T645 VanDerWaalsContact C-N 3.31Å; G643-T645 PolarHBondContact O-N 3.28Å; G643-M646 PolarHBondContact O-N 3.12Å; G643-T647 PolarHBondContact O-N 3.48Å
644S86Confident89.4Confident12 Ų1255.9 Ų55.98%0.08427%0.266CS..Hα-helixtrans-59.7-41.2175.959.30000111.4T473 M646 T647 F648T473-S644 PolarHBondContact OG1-OG 3.49Å; S644-M646 PolarHBondContact O-N 3.13Å; S644-T647 PolarHBondContact O-N 2.85Å; S644-T647 PolarHBondContact O-OG1 3.39Å; S644-F648 WeakPolarHBondContact O-CB 3.37Å; S644-F648 PolarHBondContact O-N 3.12Å
645T90.2Very high89.6Confident11 Ų1151.3 Ų51.37%0.06726%0.256CS..Hα-helixtrans-57.8-46.3175.6-54.90000112.6I493 A639 G643 T647 F648 F649 L691I493-T645 HydrophobicContact CD1-CG2 3.84Å; I493-T645 HydrophobicContact CG1-CG2 4.03Å; I493-T645 HydrophobicContact CG2-CG2 3.91Å; A639-T645 HydrophobicContact CB-CG2 4Å; G643-T645 VanDerWaalsContact C-N 3.31Å; G643-T645 PolarHBondContact O-N 3.28Å; T645-T647 PolarHBondContact O-N 2.69Å; T645-F648 WeakPolarHBondContact O-CB 3.48Å; T645-F648 PolarHBondContact O-N 3.14Å; T645-F649 HydrophobicContact CG2-CD2 4.05Å; T645-F649 HydrophobicContact CG2-CE2 3.73Å; T645-F649 WeakPolarHBondContact O-CD2 3.12Å; T645-F649 PolarHBondContact O-N 2.89Å; T645-F649 VanDerWaalsContact O-N 3.17Å; T645-L691 HydrophobicContact CG2-CB 4.06Å
646M89.6Confident89.8Confident34 Ų3452 Ų5217%0.16726%0.262CS..Hα-helixtrans-61-46.2176.2179.4-166.2170.600111.2G643 S644 F648 F649 K650 W661 L672G643-M646 PolarHBondContact O-N 3.12Å; S644-M646 PolarHBondContact O-N 3.13Å; M646-F648 VanDerWaalsContact C-N 3.28Å; M646-F648 PolarHBondContact O-N 3.32Å; M646-F649 PolarHBondContact O-N 3.36Å; M646-K650 WeakPolarHBondContact O-CB 3.44Å; M646-K650 PolarHBondContact O-N 3.36Å; M646-W661 HydrophobicContact CE-CH2 3.74Å; M646-W661 HydrophobicContact CE-CZ3 4.43Å; M646-W661 HydrophobicContact CG-CH2 3.88Å; M646-W661 HydrophobicContact CG-CZ3 3.7Å; M646-L672 HydrophobicContact CE-CD1 3.88Å; M646-L672 HydrophobicContact CG-CD2 4.49Å; M646-L672 HydrophobicContact SD-CD1 4.23Å
647T88.2Confident89.9Confident60 Ų6051.7 Ų51.737%0.36826%0.259SS..Hα-helixtrans-66.4-30179.162.40000113.1G643 S644 T645 K651G643-T647 PolarHBondContact O-N 3.48Å; S644-T647 PolarHBondContact O-N 2.85Å; S644-T647 PolarHBondContact O-OG1 3.39Å; T645-T647 PolarHBondContact O-N 2.69Å; T647-K651 PolarHBondContact O-N 2.84Å; T647-K651 VanDerWaalsContact O-N 3.14Å
648F91.1Very high89.9Confident55 Ų5556.1 Ų56.124%0.24128%0.28CS..Hα-helixtrans-63-53.5174.2170.5-95.8000110.9I493 S644 T645 M646 K650 K651 S652 Y657 I714 D715I493-F648 HydrophobicContact CD1-CB 4.38Å; I493-F648 HydrophobicContact CD1-CD1 3.51Å; I493-F648 HydrophobicContact CD1-CE1 3.91Å; I493-F648 HydrophobicContact CD1-CG 3.98Å; S644-F648 WeakPolarHBondContact O-CB 3.37Å; S644-F648 PolarHBondContact O-N 3.12Å; T645-F648 WeakPolarHBondContact O-CB 3.48Å; T645-F648 PolarHBondContact O-N 3.14Å; M646-F648 VanDerWaalsContact C-N 3.28Å; M646-F648 PolarHBondContact O-N 3.32Å; F648-K650 VanDerWaalsContact C-N 3.31Å; F648-K650 PolarHBondContact O-N 3.28Å; F648-K651 CarbonylContact O-C 3.5Å; F648-K651 PolarHBondContact O-N 3.47Å; F648-S652 WeakPolarHBondContact O-CB 3.34Å; F648-S652 PolarHBondContact O-N 2.93Å; F648-Y657 HydrophobicContact CE1-CD2 4.23Å; F648-Y657 HydrophobicContact CE1-CE2 4.48Å; F648-Y657 HydrophobicContact CZ-CD2 4.37Å; F648-Y657 HydrophobicContact CZ-CE2 4.43Å; F648-I714 HydrophobicContact CE1-CG2 4.44Å; F648-D715 HydrophobicContact CE2-CB 4.29Å; F648-D715 HydrophobicContact CZ-CB 4.15Å
649F91.4Very high89.9Confident1 Ų163 Ų630%0.00431%0.31CS..Hα-helixtrans-63.6-36177.5-73.3-73.6000112.5I493 T645 M646 K651 S652 Y657 M660 W661 M664 L691I493-F649 HydrophobicContact CD1-CE2 4.16Å; I493-F649 HydrophobicContact CG2-CE2 4.48Å; T645-F649 HydrophobicContact CG2-CD2 4.05Å; T645-F649 HydrophobicContact CG2-CE2 3.73Å; T645-F649 WeakPolarHBondContact O-CD2 3.12Å; T645-F649 PolarHBondContact O-N 2.89Å; T645-F649 VanDerWaalsContact O-N 3.17Å; M646-F649 PolarHBondContact O-N 3.36Å; F649-K651 VanDerWaalsContact C-N 3.29Å; F649-K651 PolarHBondContact O-N 2.74Å; F649-S652 PolarHBondContact O-N 2.93Å; F649-Y657 HydrophobicContact CD1-CD1 4.48Å; F649-Y657 HydrophobicContact CD1-CG 4.23Å; F649-Y657 AromaticContact CE1-CD1 3.79Å; F649-Y657 HydrophobicContact CE1-CD1 3.79Å; F649-Y657 AromaticContact CE1-CG 3.9Å; F649-Y657 HydrophobicContact CE1-CG 3.9Å; F649-M660 HydrophobicContact CE1-SD 4.24Å; F649-W661 HydrophobicContact CB-CB 4.22Å; F649-W661 HydrophobicContact CB-CE3 3.93Å; F649-W661 WeakPolarHBondContact O-CB 3.3Å; F649-M664 HydrophobicContact CB-CE 3.77Å; F649-M664 HydrophobicContact CD1-CE 4.11Å; F649-M664 HydrophobicContact CD2-CE 3.91Å; F649-M664 HydrophobicContact CG-CE 3.66Å; F649-L691 HydrophobicContact CD2-CD1 4.36Å; F649-L691 HydrophobicContact CE2-CD1 3.69Å; F649-L691 HydrophobicContact CZ-CD1 3.92Å
650K89.8Confident89.9Confident118 Ų11863 Ų6351%0.51331%0.31SS..Hα-helixtrans-62.3-31.4175.5-174.2176.9-179.9-1750113.8M646 F648 W661M646-K650 WeakPolarHBondContact O-CB 3.44Å; M646-K650 PolarHBondContact O-N 3.36Å; F648-K650 VanDerWaalsContact C-N 3.31Å; F648-K650 PolarHBondContact O-N 3.28Å; K650-W661 HydrophobicContact CB-CD2 4.05Å; K650-W661 HydrophobicContact CB-CE3 4.32Å; K650-W661 HydrophobicContact CB-CH2 3.91Å; K650-W661 HydrophobicContact CB-CZ2 3.6Å; K650-W661 HydrophobicContact CB-CZ3 4.26Å; K650-W661 HydrophobicContact CD-CH2 4.31Å; K650-W661 HydrophobicContact CD-CZ2 3.84Å; K650-W661 HydrophobicContact CG-CH2 4.24Å; K650-W661 HydrophobicContact CG-CZ2 3.55Å
651K89Confident90Very high134 Ų13463.7 Ų63.758%0.58331%0.309SS*.Hα-helixtrans-107.5-2.4-176.9-66.4-170179-173.50113.8V477 T647 F648 F649V477-K651 VanDerWaalsContact CG2-NZ 3.35Å; T647-K651 PolarHBondContact O-N 2.84Å; T647-K651 VanDerWaalsContact O-N 3.14Å; F648-K651 CarbonylContact O-C 3.5Å; F648-K651 PolarHBondContact O-N 3.47Å; F649-K651 VanDerWaalsContact C-N 3.29Å; F649-K651 PolarHBondContact O-N 2.74Å
652S90.1Very high90.4Very high19 Ų1962 Ų6213%0.13331%0.314CS..  trans-64.1145.9-179.9-173.90000110.6F648 F649 I654 Y657 E658F648-S652 WeakPolarHBondContact O-CB 3.34Å; F648-S652 PolarHBondContact O-N 2.93Å; F649-S652 PolarHBondContact O-N 2.93Å; S652-I654 PolarHBondContact OG-N 3.34Å; S652-Y657 WeakPolarHBondContact OG-CB 3.35Å; S652-E658 WeakPolarHBondContact O-CG 3.01Å
653K91Very high90.9Very high191 Ų19159.7 Ų59.783%0.8330%0.301SS*.  trans-110.76.5175.4-63.6-172.8176.6-175.20112.9
654I92.4Very high91.3Very high91 Ų9158.9 Ų58.947%0.46729%0.293SS..SBendtrans-86.7127.7179.4-63.9170.5000107.7S652 T656 Y657 E658S652-I654 PolarHBondContact OG-N 3.34Å; I654-T656 VanDerWaalsContact C-N 3.29Å; I654-T656 PolarHBondContact O-N 2.88Å; I654-Y657 HydrophobicContact CB-CD2 3.77Å; I654-Y657 HydrophobicContact CB-CE2 4.33Å; I654-Y657 HydrophobicContact CB-CG 4.29Å; I654-Y657 HydrophobicContact CD1-CD2 3.78Å; I654-Y657 HydrophobicContact CD1-CE2 3.65Å; I654-Y657 HydrophobicContact CG1-CD2 4.31Å; I654-Y657 HydrophobicContact CG2-CD2 4.04Å; I654-Y657 HydrophobicContact CG2-CE2 4.29Å; I654-Y657 HydrophobicContact CG2-CG 4.38Å; I654-Y657 PolarHBondContact O-N 3.15Å; I654-E658 PolarHBondContact O-N 3.19Å
655S92.1Very high91.5Very high80 Ų8060.2 Ų60.256%0.55930%0.302SS*.Hα-helixtrans-56.2-37.5-172.254.80000114.2K659S655-K659 WeakPolarHBondContact O-CG 3.3Å; S655-K659 PolarHBondContact O-N 3.07Å; S655-K659 VanDerWaalsContact O-N 3.13Å
656T92.1Very high91.6Very high28 Ų2864 Ų6417%0.17233%0.328CS..Hα-helixtrans-63.5-49.3175.2-53.10000110.7D627 A630 I654 E658 K659 M660D627-T656 WeakPolarHBondContact OD1-CB 3.49Å; D627-T656 WeakPolarHBondContact OD1-CG2 3.46Å; D627-T656 PolarHBondContact OD1-OG1 3.27Å; A630-T656 HydrophobicContact CB-CG2 3.55Å; I654-T656 VanDerWaalsContact C-N 3.29Å; I654-T656 PolarHBondContact O-N 2.88Å; T656-E658 VanDerWaalsContact C-N 3.35Å; T656-E658 PolarHBondContact O-N 2.87Å; T656-K659 WeakPolarHBondContact O-CB 3.16Å; T656-K659 PolarHBondContact O-N 2.98Å; T656-K659 VanDerWaalsContact O-N 3.17Å; T656-M660 HydrophobicContact CG2-SD 4.41Å; T656-M660 WeakPolarHBondContact O-CG 3.45Å; T656-M660 PolarHBondContact O-N 3.02Å
657Y93.6Very high91.5Very high37 Ų3766.9 Ų66.915%0.14534%0.338CS..Hα-helixtrans-70.4-31.1-176.7-59.7-21.4000112.6A626 F648 F649 S652 I654 M660 W661 I714A626-Y657 HydrophobicContact CB-CE1 4.46Å; F648-Y657 HydrophobicContact CE1-CD2 4.23Å; F648-Y657 HydrophobicContact CE1-CE2 4.48Å; F648-Y657 HydrophobicContact CZ-CD2 4.37Å; F648-Y657 HydrophobicContact CZ-CE2 4.43Å; F649-Y657 HydrophobicContact CD1-CD1 4.48Å; F649-Y657 HydrophobicContact CD1-CG 4.23Å; F649-Y657 AromaticContact CE1-CD1 3.79Å; F649-Y657 HydrophobicContact CE1-CD1 3.79Å; F649-Y657 AromaticContact CE1-CG 3.9Å; F649-Y657 HydrophobicContact CE1-CG 3.9Å; S652-Y657 WeakPolarHBondContact OG-CB 3.35Å; I654-Y657 HydrophobicContact CB-CD2 3.77Å; I654-Y657 HydrophobicContact CB-CE2 4.33Å; I654-Y657 HydrophobicContact CB-CG 4.29Å; I654-Y657 HydrophobicContact CD1-CD2 3.78Å; I654-Y657 HydrophobicContact CD1-CE2 3.65Å; I654-Y657 HydrophobicContact CG1-CD2 4.31Å; I654-Y657 HydrophobicContact CG2-CD2 4.04Å; I654-Y657 HydrophobicContact CG2-CE2 4.29Å; I654-Y657 HydrophobicContact CG2-CG 4.38Å; I654-Y657 PolarHBondContact O-N 3.15Å; Y657-M660 HydrophobicContact CD1-SD 3.97Å; Y657-M660 PolarHBondContact O-N 3.17Å; Y657-W661 WeakPolarHBondContact O-CB 3.47Å; Y657-W661 PolarHBondContact O-N 3.4Å; Y657-I714 HydrophobicContact CE1-CG2 4.06Å; Y657-I714 HydrophobicContact CE2-CG2 4.07Å; Y657-I714 WeakPolarHBondContact OH-CG2 3.27Å
658E93.4Very high91Very high97 Ų9769.9 Ų69.945%0.45335%0.345SS..Hα-helixtrans-63.8-42.5169.7-74.6-176.7161.500111.5S652 I654 T656 W661 A662S652-E658 WeakPolarHBondContact O-CG 3.01Å; I654-E658 PolarHBondContact O-N 3.19Å; T656-E658 VanDerWaalsContact C-N 3.35Å; T656-E658 PolarHBondContact O-N 2.87Å; E658-W661 PolarHBondContact O-N 3.35Å; E658-A662 WeakPolarHBondContact O-CB 3.29Å; E658-A662 PolarHBondContact O-N 3.01Å
659K92.3Very high90.4Very high145 Ų14573.9 Ų73.963%0.6337%0.37SS*.Hα-helixtrans-63.2-43.7173.5-73.7178-178.6-177.70111.9S655 T656 W661 A662 F663S655-K659 WeakPolarHBondContact O-CG 3.3Å; S655-K659 PolarHBondContact O-N 3.07Å; S655-K659 VanDerWaalsContact O-N 3.13Å; T656-K659 WeakPolarHBondContact O-CB 3.16Å; T656-K659 PolarHBondContact O-N 2.98Å; T656-K659 VanDerWaalsContact O-N 3.17Å; K659-W661 VanDerWaalsContact C-N 3.31Å; K659-W661 PolarHBondContact O-N 3.47Å; K659-A662 WeakPolarHBondContact O-CB 3.4Å; K659-A662 PolarHBondContact O-N 3.33Å; K659-F663 PolarHBondContact O-N 3.24Å
660M93.1Very high89.8Confident0 Ų076.7 Ų76.70%039%0.387CS..Hα-helixtrans-60.7-40.9174.7-68.3179.580.200111.7A626 L629 A630 Y637 F649 T656 Y657 F663 M664 L691A626-M660 HydrophobicContact CB-CE 4.45Å; A626-M660 HydrophobicContact CB-SD 4.3Å; L629-M660 HydrophobicContact CB-CE 4.45Å; A630-M660 HydrophobicContact CB-CG 3.77Å; A630-M660 HydrophobicContact CB-SD 4.44Å; Y637-M660 HydrophobicContact CD2-CE 3.97Å; Y637-M660 HydrophobicContact CE2-CB 3.87Å; Y637-M660 HydrophobicContact CE2-CE 3.8Å; Y637-M660 HydrophobicContact CE2-CG 4.03Å; F649-M660 HydrophobicContact CE1-SD 4.24Å; T656-M660 HydrophobicContact CG2-SD 4.41Å; T656-M660 WeakPolarHBondContact O-CG 3.45Å; T656-M660 PolarHBondContact O-N 3.02Å; Y657-M660 HydrophobicContact CD1-SD 3.97Å; Y657-M660 PolarHBondContact O-N 3.17Å; M660-F663 WeakPolarHBondContact O-CB 3.27Å; M660-F663 PolarHBondContact O-N 3.24Å; M660-M664 HydrophobicContact CB-CE 4.28Å; M660-M664 WeakPolarHBondContact O-CG 3.44Å; M660-M664 PolarHBondContact O-N 3.3Å; M660-L691 HydrophobicContact CE-CD1 4.15Å
661W94.1Very high89.6Confident42 Ų4271.1 Ų71.116%0.15936%0.363CS..Hα-helixtrans-66.6-40.4174.4179.6-111.4000112.7M646 F649 K650 Y657 E658 K659 F663 M664 S665M646-W661 HydrophobicContact CE-CH2 3.74Å; M646-W661 HydrophobicContact CE-CZ3 4.43Å; M646-W661 HydrophobicContact CG-CH2 3.88Å; M646-W661 HydrophobicContact CG-CZ3 3.7Å; F649-W661 HydrophobicContact CB-CB 4.22Å; F649-W661 HydrophobicContact CB-CE3 3.93Å; F649-W661 WeakPolarHBondContact O-CB 3.3Å; K650-W661 HydrophobicContact CB-CD2 4.05Å; K650-W661 HydrophobicContact CB-CE3 4.32Å; K650-W661 HydrophobicContact CB-CH2 3.91Å; K650-W661 HydrophobicContact CB-CZ2 3.6Å; K650-W661 HydrophobicContact CB-CZ3 4.26Å; K650-W661 HydrophobicContact CD-CH2 4.31Å; K650-W661 HydrophobicContact CD-CZ2 3.84Å; K650-W661 HydrophobicContact CG-CH2 4.24Å; K650-W661 HydrophobicContact CG-CZ2 3.55Å; Y657-W661 WeakPolarHBondContact O-CB 3.47Å; Y657-W661 PolarHBondContact O-N 3.4Å; E658-W661 PolarHBondContact O-N 3.35Å; K659-W661 VanDerWaalsContact C-N 3.31Å; K659-W661 PolarHBondContact O-N 3.47Å; W661-F663 VanDerWaalsContact C-N 3.29Å; W661-F663 PolarHBondContact O-N 3.42Å; W661-M664 HydrophobicContact CE3-CB 4.37Å; W661-M664 HydrophobicContact CE3-CE 4.2Å; W661-M664 PolarHBondContact O-N 3.07Å; W661-S665 WeakPolarHBondContact O-CB 3.49Å; W661-S665 PolarHBondContact O-N 3.32Å; W661-S665 PolarHBondContact O-OG 3.39Å
662A92.6Very high89.7Confident54 Ų5465.2 Ų65.245%0.44634%0.337SS..Hα-helixtrans-58.9-42.9173.900000111E658 K659 S665 S666E658-A662 WeakPolarHBondContact O-CB 3.29Å; E658-A662 PolarHBondContact O-N 3.01Å; K659-A662 WeakPolarHBondContact O-CB 3.4Å; K659-A662 PolarHBondContact O-N 3.33Å; A662-S665 WeakPolarHBondContact CA-OG 3.2Å; A662-S665 PolarHBondContact O-OG 2.85Å; A662-S665 VanDerWaalsContact O-OG 3.09Å; A662-S666 WeakPolarHBondContact O-CB 3.3Å; A662-S666 PolarHBondContact O-N 3.39Å; A662-S666 PolarHBondContact O-OG 3.05Å
663F92.4Very high89.7Confident28 Ų2864.3 Ų64.312%0.12333%0.331CS..Hα-helixtrans-61-54.3173.3-179-95.3000111.9Y637 K659 M660 W661 S665 S666 R667Y637-F663 HydrophobicContact CD1-CD1 4.35Å; Y637-F663 HydrophobicContact CD1-CE1 4.13Å; Y637-F663 HydrophobicContact CD2-CD1 4.28Å; Y637-F663 AromaticContact CE1-CD1 3.79Å; Y637-F663 HydrophobicContact CE1-CD1 3.79Å; Y637-F663 AromaticContact CE1-CE1 3.88Å; Y637-F663 HydrophobicContact CE1-CE1 3.88Å; Y637-F663 HydrophobicContact CE1-CG 4.38Å; Y637-F663 AromaticContact CE2-CD1 3.69Å; Y637-F663 HydrophobicContact CE2-CD1 3.69Å; Y637-F663 HydrophobicContact CE2-CE1 4.36Å; Y637-F663 HydrophobicContact CE2-CG 4.42Å; Y637-F663 HydrophobicContact CG-CE1 4.49Å; Y637-F663 AromaticContact CZ-CD1 3.43Å; Y637-F663 VanDerWaalsContact CZ-CD1 3.43Å; Y637-F663 AromaticContact CZ-CG 3.9Å; Y637-F663 WeakPolarHBondContact OH-CB 3.35Å; K659-F663 PolarHBondContact O-N 3.24Å; M660-F663 WeakPolarHBondContact O-CB 3.27Å; M660-F663 PolarHBondContact O-N 3.24Å; W661-F663 VanDerWaalsContact C-N 3.29Å; W661-F663 PolarHBondContact O-N 3.42Å; F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 3.08Å; F663-S666 PolarHBondContact O-N 2.97Å; F663-S666 PolarHBondContact O-OG 3.39Å; F663-R667 PolarHBondContact O-N 3.14Å
664M92.8Very high89.5Confident0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-60.4-38.5179.5-72.9-173.5-86.700113Y637 F649 M660 W661 R667 K668 A671 L691Y637-M664 HydrophobicContact CD2-CG 4.26Å; Y637-M664 HydrophobicContact CE2-CG 4.23Å; F649-M664 HydrophobicContact CB-CE 3.77Å; F649-M664 HydrophobicContact CD1-CE 4.11Å; F649-M664 HydrophobicContact CD2-CE 3.91Å; F649-M664 HydrophobicContact CG-CE 3.66Å; M660-M664 HydrophobicContact CB-CE 4.28Å; M660-M664 WeakPolarHBondContact O-CG 3.44Å; M660-M664 PolarHBondContact O-N 3.3Å; W661-M664 HydrophobicContact CE3-CB 4.37Å; W661-M664 HydrophobicContact CE3-CE 4.2Å; W661-M664 PolarHBondContact O-N 3.07Å; M664-R667 CarbonylContact O-C 3.54Å; M664-R667 VanDerWaalsContact O-C 3.32Å; M664-R667 PolarHBondContact O-N 3Å; M664-K668 PolarHBondContact O-N 2.89Å; M664-A671 HydrophobicContact CB-CB 4.43Å; M664-A671 HydrophobicContact CG-CB 4.4Å; M664-L691 HydrophobicContact CE-CD1 4.28Å; M664-L691 HydrophobicContact SD-CD1 4.29Å
665S90.6Very high89.2Confident39 Ų3962.8 Ų62.827%0.27333%0.327SS..Hα-helixtrans-76-27.7-178.865.40000113.2W661 A662 F663 R667 K668W661-S665 WeakPolarHBondContact O-CB 3.49Å; W661-S665 PolarHBondContact O-N 3.32Å; W661-S665 PolarHBondContact O-OG 3.39Å; A662-S665 WeakPolarHBondContact CA-OG 3.2Å; A662-S665 PolarHBondContact O-OG 2.85Å; A662-S665 VanDerWaalsContact O-OG 3.09Å; F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 3.08Å; S665-R667 VanDerWaalsContact C-N 3.29Å; S665-K668 WeakPolarHBondContact O-CG 3.49Å
666S91Very high89Confident90 Ų9060.3 Ų60.363%0.62931%0.307SS*.Hα-helixtrans-69.3-29.1169.674.80000112.1A662 F663A662-S666 WeakPolarHBondContact O-CB 3.3Å; A662-S666 PolarHBondContact O-N 3.39Å; A662-S666 PolarHBondContact O-OG 3.05Å; F663-S666 PolarHBondContact O-N 2.97Å; F663-S666 PolarHBondContact O-OG 3.39Å
667R87.9Confident88.9Confident96 Ų9668.8 Ų68.836%0.36234%0.336SS..THydrogen-bonded Turntrans-116.541.8-175-69-173.2-174-162.16.7113.5E636 F663 M664 S665 N669 T670 A671E636-R667 IonicContact OE1-CZ 3.25Å; E636-R667 IonicContact OE1-NH1 3.35Å; E636-R667 PolarHBondContact OE1-NH1 3.5Å; F663-R667 PolarHBondContact O-N 3.14Å; M664-R667 CarbonylContact O-C 3.54Å; M664-R667 VanDerWaalsContact O-C 3.32Å; M664-R667 PolarHBondContact O-N 3Å; S665-R667 VanDerWaalsContact C-N 3.29Å; R667-N669 PolarHBondContact O-N 3.39Å; R667-T670 PolarHBondContact O-N 3.39Å; R667-A671 HydrophobicContact CB-CB 4.13Å; R667-A671 WeakPolarHBondContact O-CB 3.48Å; R667-A671 PolarHBondContact O-N 2.93Å
668K77.5Confident88.7Confident122 Ų12271 Ų7153%0.5335%0.347SS..Hα-helixtrans-52.3-34-173.7-71.1176.2-173.7176.40115.5R641 M664 S665 L672R641-K668 PolarHBondContact NH2-O 3.32Å; M664-K668 PolarHBondContact O-N 2.89Å; S665-K668 WeakPolarHBondContact O-CG 3.49Å; K668-L672 HydrophobicContact CG-CD1 4.36Å
669N78.8Confident88.6Confident140 Ų14066.4 Ų66.475%0.74933%0.326SS*.Hα-helixtrans-79.8-28.8-177.4-70.4-19000113R667R667-N669 PolarHBondContact O-N 3.39Å
670T79.4Confident88.6Confident59 Ų5961 Ų6136%0.36230%0.304SS..Hα-helixtrans-102-35.2-179.658.80000112.1R667 R682R667-T670 PolarHBondContact O-N 3.39Å; T670-R682 PolarHBondContact O-NH1 3.12Å; T670-R682 PolarHBondContact O-NH2 2.85Å
671A85.3Confident88.6Confident1 Ų167 Ų671%0.00833%0.332CS..Hα-helixtrans-80.3-34.8-179.100000113.7G638 M664 R667 Y688G638-A671 VanDerWaalsContact CA-O 3.31Å; G638-A671 WeakPolarHBondContact CA-O 3.46Å; M664-A671 HydrophobicContact CB-CB 4.43Å; M664-A671 HydrophobicContact CG-CB 4.4Å; R667-A671 HydrophobicContact CB-CB 4.13Å; R667-A671 WeakPolarHBondContact O-CB 3.48Å; R667-A671 PolarHBondContact O-N 2.93Å; A671-Y688 PolarHBondContact O-OH 3.3Å
672L90.6Very high88.5Confident10 Ų1067.8 Ų67.85%0.05234%0.335CS..  trans-100.5121.1-173.8-58.2175.2000112.5A639 R641 M646 K668A639-L672 HydrophobicContact CB-CD2 4.49Å; A639-L672 WeakPolarHBondContact O-CA 3.13Å; A639-L672 WeakPolarHBondContact O-CD2 3.45Å; R641-L672 HydrophobicContact CG-CB 3.71Å; R641-L672 PolarHBondContact NE-O 3.39Å; M646-L672 HydrophobicContact CE-CD1 3.88Å; M646-L672 HydrophobicContact CG-CD2 4.49Å; M646-L672 HydrophobicContact SD-CD1 4.23Å; K668-L672 HydrophobicContact CG-CD1 4.36Å
673V90.6Very high88.5Confident1 Ų165.2 Ų65.21%0.00631%0.313CS..BIsolated β-bridgetrans-92.5156.7-179.9-61.20000112A639 V640 R641 E678 L690A639-V673 PolarHBondContact O-N 3.35Å; V640-V673 WeakPolarHBondContact CA-O 3.33Å; V640-V673 HydrophobicContact CB-CG2 4.48Å; V640-V673 HydrophobicContact CG2-CG2 3.97Å; R641-V673 WeakPolarHBondContact CG-O 3.48Å; R641-V673 PolarHBondContact N-O 2.74Å; V673-E678 HydrophobicContact CB-CG 4.46Å; V673-L690 HydrophobicContact CG2-CD1 3.96Å
674K87Confident88.4Confident140 Ų14067.3 Ų67.361%0.60933%0.326SS*.SBendtrans-77.1-45.4-178.6-62175.1-179.3173.50112.1V640 E678V640-K674 VanDerWaalsContact CG1-O 3.27Å; V640-K674 WeakPolarHBondContact CG1-O 3.46Å; K674-E678 VanDerWaalsContact CB-OE2 3.26Å; K674-E678 WeakPolarHBondContact CB-OE2 3.36Å; K674-E678 PolarHBondContact N-OE2 3.06Å
675N85.7Confident88.2Confident110 Ų11072 Ų7259%0.58835%0.354SS*.SBendtrans-136.4159.7-175.4-65.3-23.7000111.1R677 E678 G679N675-R677 VanDerWaalsContact C-N 3.28Å; N675-R677 PolarHBondContact O-N 3.45Å; N675-E678 PolarHBondContact O-N 3.49Å; N675-G679 PolarHBondContact O-N 3.45Å
676N88.5Confident88.1Confident28 Ų2873.2 Ų73.215%0.1536%0.36CS..Hα-helixtrans-54-42.3176-74.1-28.5000112.4E396 V640 E678 G679 I680 M692E396-N676 PolarHBondContact OE1-ND2 2.78Å; V640-N676 WeakPolarHBondContact CG2-OD1 3.47Å; N676-E678 VanDerWaalsContact C-N 3.33Å; N676-E678 PolarHBondContact O-N 3.29Å; N676-G679 PolarHBondContact O-N 2.97Å; N676-G679 VanDerWaalsContact O-N 3.12Å; N676-I680 WeakPolarHBondContact O-CD1 3.45Å; N676-I680 VanDerWaalsContact O-CG1 3.25Å; N676-I680 WeakPolarHBondContact O-CG1 3.44Å; N676-I680 PolarHBondContact O-N 3.22Å; N676-M692 HydrophobicContact CB-SD 4.25Å
677R88.9Confident88Confident206 Ų20673.1 Ų73.178%0.77735%0.353SS*.Hα-helixtrans-59.5-40.4-179.9-162179.981166.24.5113.6N675 Q681N675-R677 VanDerWaalsContact C-N 3.28Å; N675-R677 PolarHBondContact O-N 3.45Å; R677-Q681 PolarHBondContact O-N 3.16Å; R677-Q681 VanDerWaalsContact O-N 3.11Å
678E90.9Very high88.2Confident83 Ų8368.6 Ų68.639%0.38834%0.336SS..Hα-helixtrans-67.2-42176.4-177.9-174-177.400110.6V673 K674 N675 N676 Q681 R682V673-E678 HydrophobicContact CB-CG 4.46Å; K674-E678 VanDerWaalsContact CB-OE2 3.26Å; K674-E678 WeakPolarHBondContact CB-OE2 3.36Å; K674-E678 PolarHBondContact N-OE2 3.06Å; N675-E678 PolarHBondContact O-N 3.49Å; N676-E678 VanDerWaalsContact C-N 3.33Å; N676-E678 PolarHBondContact O-N 3.29Å; E678-Q681 PolarHBondContact O-N 3.16Å; E678-R682 WeakPolarHBondContact O-CB 3.45Å; E678-R682 PolarHBondContact O-N 3.35Å
679G91.2Very high88.9Confident0 Ų062.8 Ų62.80%031%0.31CS..Hα-helixtrans-58.6-48.3174.700000112.6N675 N676 Q681 R682 V683N675-G679 PolarHBondContact O-N 3.45Å; N676-G679 PolarHBondContact O-N 2.97Å; N676-G679 VanDerWaalsContact O-N 3.12Å; G679-Q681 PolarHBondContact O-N 2.95Å; G679-R682 WeakPolarHBondContact O-CB 3.35Å; G679-R682 PolarHBondContact O-N 3.01Å; G679-V683 VanDerWaalsContact O-CG2 3.32Å; G679-V683 WeakPolarHBondContact O-CG2 3.35Å; G679-V683 PolarHBondContact O-N 3.45Å
680I91.9Very high89.6Confident33 Ų3356.1 Ų56.117%0.16928%0.275CS..Hα-helixtrans-61.7-46.4179.5-62.7158.2000111L496 N676 R682 V683 L684 I700 L707L496-I680 HydrophobicContact CD2-CG1 4.16Å; N676-I680 WeakPolarHBondContact O-CD1 3.45Å; N676-I680 VanDerWaalsContact O-CG1 3.25Å; N676-I680 WeakPolarHBondContact O-CG1 3.44Å; N676-I680 PolarHBondContact O-N 3.22Å; I680-R682 PolarHBondContact O-N 2.9Å; I680-V683 PolarHBondContact O-N 2.88Å; I680-L684 HydrophobicContact CG2-CD1 4.35Å; I680-L684 WeakPolarHBondContact O-CG 3.26Å; I680-L684 PolarHBondContact O-N 3.26Å; I680-L684 VanDerWaalsContact O-N 3.16Å; I680-I700 HydrophobicContact CD1-CD1 3.32Å; I680-I700 HydrophobicContact CD1-CG1 4.1Å; I680-I700 HydrophobicContact CG1-CD1 3.82Å; I680-I700 HydrophobicContact CG2-CG2 4.36Å; I680-L707 HydrophobicContact CG2-CD1 3.82Å
681Q92.1Very high90.4Very high125 Ų12553.4 Ų53.458%0.58426%0.258SS*.Hα-helixtrans-59.4-39.6177.5-176176.6-11.300111.1R677 E678 G679 L684 T685R677-Q681 PolarHBondContact O-N 3.16Å; R677-Q681 VanDerWaalsContact O-N 3.11Å; E678-Q681 PolarHBondContact O-N 3.16Å; G679-Q681 PolarHBondContact O-N 2.95Å; Q681-L684 PolarHBondContact O-N 2.87Å; Q681-T685 WeakPolarHBondContact O-CG2 3.37Å; Q681-T685 PolarHBondContact O-N 2.87Å; Q681-T685 PolarHBondContact O-OG1 3.23Å; Q681-T685 VanDerWaalsContact O-OG1 3.1Å
682R91.8Very high90.7Very high59 Ų5953.6 Ų53.622%0.22326%0.259CS..Hα-helixtrans-67.2-42.7179-171.8170.3-177.7170.1-13113.2E636 T670 E678 G679 I680 L684 T685 T686 Y688E636-R682 IonicContact OE2-NH2 3.99Å; E636-R682 PolarHBondContact OE2-NH2 3.39Å; T670-R682 PolarHBondContact O-NH1 3.12Å; T670-R682 PolarHBondContact O-NH2 2.85Å; E678-R682 WeakPolarHBondContact O-CB 3.45Å; E678-R682 PolarHBondContact O-N 3.35Å; G679-R682 WeakPolarHBondContact O-CB 3.35Å; G679-R682 PolarHBondContact O-N 3.01Å; I680-R682 PolarHBondContact O-N 2.9Å; R682-L684 PolarHBondContact O-N 3.41Å; R682-T685 PolarHBondContact O-N 3.11Å; R682-T685 PolarHBondContact O-OG1 2.92Å; R682-T686 VanDerWaalsContact CG-OG1 3.3Å; R682-T686 WeakPolarHBondContact CG-OG1 3.49Å; R682-T686 PolarHBondContact O-N 2.78Å; R682-T686 PolarHBondContact O-OG1 3.25Å; R682-Y688 HydrophobicContact CB-CD1 4.27Å; R682-Y688 HydrophobicContact CG-CD1 3.94Å; R682-Y688 HydrophobicContact CG-CG 4.04Å
683V92.5Very high90.8Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-58.2-36.8175.1175.70000110.9Y497 H498 G679 I680 Y688 L690 L707Y497-V683 VanDerWaalsContact C-CG1 3.5Å; H498-V683 HydrophobicContact CB-CG1 4.5Å; G679-V683 VanDerWaalsContact O-CG2 3.32Å; G679-V683 WeakPolarHBondContact O-CG2 3.35Å; G679-V683 PolarHBondContact O-N 3.45Å; I680-V683 PolarHBondContact O-N 2.88Å; V683-Y688 HydrophobicContact CG2-CD1 3.79Å; V683-Y688 HydrophobicContact CG2-CE1 4.28Å; V683-Y688 WeakPolarHBondContact CG2-O 3.41Å; V683-L690 HydrophobicContact CG2-CB 3.6Å; V683-L707 HydrophobicContact CB-CD2 4.27Å; V683-L707 HydrophobicContact CG1-CD2 3.55Å
684L91.1Very high90.9Very high72 Ų7254.9 Ų54.938%0.37727%0.266SS..Hα-helixtrans-72.2-32.7178-71.3167.5000113.6I680 Q681 R682 N704 N706 L707I680-L684 HydrophobicContact CG2-CD1 4.35Å; I680-L684 WeakPolarHBondContact O-CG 3.26Å; I680-L684 PolarHBondContact O-N 3.26Å; I680-L684 VanDerWaalsContact O-N 3.16Å; Q681-L684 PolarHBondContact O-N 2.87Å; R682-L684 PolarHBondContact O-N 3.41Å; L684-N704 WeakPolarHBondContact CD1-ND2 3.33Å; L684-N706 HydrophobicContact CD2-CB 3.99Å; L684-L707 HydrophobicContact CD2-CD1 4.19Å; L684-L707 HydrophobicContact CD2-CD2 3.63Å; L684-L707 HydrophobicContact CD2-CG 3.76Å; L684-L707 HydrophobicContact CG-CD1 4.35Å; L684-L707 HydrophobicContact CG-CD2 3.99Å; L684-L707 HydrophobicContact CG-CG 4.35Å
685T89.6Confident91.1Very high99 Ų9948.3 Ų48.361%0.60724%0.238SC*.Hα-helixtrans-95.9-23.6-172.754.30000114.6Q681 R682Q681-T685 WeakPolarHBondContact O-CG2 3.37Å; Q681-T685 PolarHBondContact O-N 2.87Å; Q681-T685 PolarHBondContact O-OG1 3.23Å; Q681-T685 VanDerWaalsContact O-OG1 3.1Å; R682-T685 PolarHBondContact O-N 3.11Å; R682-T685 PolarHBondContact O-OG1 2.92Å
686T88.1Confident91.4Very high64 Ų6443.4 Ų43.439%0.39321%0.212SC..SBendtrans-138.8157.6-171.158.40000110.7R682 Y688R682-T686 VanDerWaalsContact CG-OG1 3.3Å; R682-T686 WeakPolarHBondContact CG-OG1 3.49Å; R682-T686 PolarHBondContact O-N 2.78Å; R682-T686 PolarHBondContact O-OG1 3.25Å; T686-Y688 PolarHBondContact O-N 3.04Å
687D87.8Confident91.6Very high88 Ų8842.1 Ų42.147%0.47121%0.205SC..SBendtrans-68.471.3171.9-70.4-16000110.8Y497 H498 E636Y497-D687 PolarHBondContact OH-OD1 3.34Å; H498-D687 IonicContact NE2-OD1 2.62Å; E636-D687 PolarHBondContact N-O 3.09Å
688Y92.1Very high91.7Very high1 Ų135 Ų350%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-131.3132.7-176.3175.4-96.7000110.4Y497 E636 G638 A671 R682 V683 T686 L690Y497-Y688 WeakPolarHBondContact CD2-O 3.38Å; E636-Y688 HydrophobicContact CB-CD2 3.8Å; E636-Y688 CarbonylContact O-C 3.55Å; E636-Y688 VanDerWaalsContact O-CA 3.24Å; E636-Y688 WeakPolarHBondContact O-CA 3.25Å; E636-Y688 WeakPolarHBondContact O-CD2 3.43Å; G638-Y688 VanDerWaalsContact CA-OH 3.24Å; G638-Y688 WeakPolarHBondContact CA-OH 3.46Å; G638-Y688 PolarHBondContact N-OH 3.24Å; G638-Y688 PolarHBondContact O-OH 2.98Å; A671-Y688 PolarHBondContact O-OH 3.3Å; R682-Y688 HydrophobicContact CB-CD1 4.27Å; R682-Y688 HydrophobicContact CG-CD1 3.94Å; R682-Y688 HydrophobicContact CG-CG 4.04Å; V683-Y688 HydrophobicContact CG2-CD1 3.79Å; V683-Y688 HydrophobicContact CG2-CE1 4.28Å; V683-Y688 WeakPolarHBondContact CG2-O 3.41Å; T686-Y688 PolarHBondContact O-N 3.04Å; Y688-L690 HydrophobicContact CE1-CB 3.94Å; Y688-L690 HydrophobicContact CE1-CD1 4Å
689A93.1Very high91.6Very high0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-105.1126.217600000111.1I495 Y497 L629 I635 E636 Y637 G638I495-A689 HydrophobicContact CG2-CB 3.88Å; Y497-A689 HydrophobicContact CD2-CB 3.93Å; L629-A689 HydrophobicContact CD1-CB 4.32Å; L629-A689 HydrophobicContact CD2-CB 4.26Å; I635-A689 HydrophobicContact CG2-CB 4.23Å; E636-A689 PolarHBondContact O-N 3.27Å; Y637-A689 WeakPolarHBondContact CA-O 3.37Å; Y637-A689 WeakPolarHBondContact CB-O 3.25Å; G638-A689 PolarHBondContact N-O 2.84Å
690L94.5Very high91.6Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-99.5123.9180-177.170.2000110.7L496 V673 V683 Y688 M692L496-L690 HydrophobicContact CB-CB 4.31Å; L496-L690 HydrophobicContact CD2-CD2 4.38Å; L496-L690 PolarHBondContact N-O 2.97Å; L496-L690 PolarHBondContact O-N 3.39Å; V673-L690 HydrophobicContact CG2-CD1 3.96Å; V683-L690 HydrophobicContact CG2-CB 3.6Å; Y688-L690 HydrophobicContact CE1-CB 3.94Å; Y688-L690 HydrophobicContact CE1-CD1 4Å; L690-M692 HydrophobicContact CD2-CB 4.42Å; L690-M692 HydrophobicContact CD2-SD 4.19Å; L690-M692 HydrophobicContact CG-CB 4.41Å; L690-M692 PolarHBondContact O-N 3.45Å
691L94.4Very high91.4Very high2 Ų233.4 Ų33.41%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-82.8110.7171.3-61.5167.5000108.9I493 I495 G638 A639 T645 F649 M660 M664 I714I493-L691 HydrophobicContact CG2-CB 4.23Å; I493-L691 HydrophobicContact CG2-CD2 4.49Å; I495-L691 HydrophobicContact CG1-CD2 3.74Å; G638-L691 WeakPolarHBondContact O-CB 3.42Å; G638-L691 PolarHBondContact O-N 2.71Å; A639-L691 HydrophobicContact CB-CB 4.39Å; T645-L691 HydrophobicContact CG2-CB 4.06Å; F649-L691 HydrophobicContact CD2-CD1 4.36Å; F649-L691 HydrophobicContact CE2-CD1 3.69Å; F649-L691 HydrophobicContact CZ-CD1 3.92Å; M660-L691 HydrophobicContact CE-CD1 4.15Å; M664-L691 HydrophobicContact CE-CD1 4.28Å; M664-L691 HydrophobicContact SD-CD1 4.29Å; L691-I714 HydrophobicContact CD2-CD1 4.24Å
692M92Very high91.1Very high5 Ų530.1 Ų30.13%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-140.4164.7-175.9-160175.171.100110.8S494 N676 L690 I697 I700S494-M692 PolarHBondContact N-O 2.96Å; S494-M692 PolarHBondContact O-N 3.45Å; S494-M692 VanDerWaalsContact O-N 3.08Å; S494-M692 VanDerWaalsContact O-O 3.06Å; N676-M692 HydrophobicContact CB-SD 4.25Å; L690-M692 HydrophobicContact CD2-CB 4.42Å; L690-M692 HydrophobicContact CD2-SD 4.19Å; L690-M692 HydrophobicContact CG-CB 4.41Å; L690-M692 PolarHBondContact O-N 3.45Å; M692-I697 HydrophobicContact CB-CD1 4.14Å; M692-I697 HydrophobicContact CB-CG1 4.08Å; M692-I697 HydrophobicContact CE-CB 4.39Å; M692-I697 HydrophobicContact CE-CG1 3.59Å; M692-I700 HydrophobicContact CE-CD1 3.41Å; M692-I700 VanDerWaalsContact CE-CD1 3.41Å; M692-I700 HydrophobicContact SD-CD1 4.4Å
693E92.4Very high90.9Very high21 Ų2132 Ų3210%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-66.7136.5175.3-71.1165.9145.100110.9T473 L491 G492 T695 S696 I697 Y719T473-E693 PolarHBondContact OG1-OE1 2.86Å; L491-E693 HydrophobicContact CD1-CB 3.93Å; L491-E693 HydrophobicContact CD1-CG 3.72Å; G492-E693 CarbonylContact O-C 3.55Å; G492-E693 WeakPolarHBondContact O-CA 3.4Å; E693-T695 VanDerWaalsContact C-N 3.3Å; E693-T695 PolarHBondContact O-N 2.88Å; E693-S696 WeakPolarHBondContact O-CB 3.35Å; E693-S696 PolarHBondContact O-N 2.83Å; E693-I697 PolarHBondContact O-N 2.91Å; E693-I697 VanDerWaalsContact O-N 3.12Å; E693-Y719 PolarHBondContact OE2-OH 3.41Å
694S93.5Very high90.6Very high16 Ų1634.1 Ų34.111%0.11218%0.179CC..Hα-helixtrans-58.8-37.1-171.859.50000113.4G492 S696 I697 E698 L713G492-S694 PolarHBondContact N-OG 3.14Å; G492-S694 WeakPolarHBondContact O-CB 3.46Å; G492-S694 PolarHBondContact O-N 2.98Å; G492-S694 PolarHBondContact O-OG 2.68Å; S694-S696 VanDerWaalsContact C-N 3.29Å; S694-S696 PolarHBondContact O-N 3.29Å; S694-I697 WeakPolarHBondContact O-CB 3.43Å; S694-I697 PolarHBondContact O-N 2.84Å; S694-E698 WeakPolarHBondContact O-CB 3.47Å; S694-E698 PolarHBondContact O-N 2.94Å; S694-L713 WeakPolarHBondContact OG-CD2 3.15Å
695T92.2Very high90.3Very high3 Ų333.2 Ų33.22%0.01818%0.178CC..Hα-helixtrans-63.6-37.6178.152.80000111.7Y399 M489 L491 E693 Y699 W754Y399-T695 WeakPolarHBondContact OH-CB 3.46Å; Y399-T695 PolarHBondContact OH-OG1 3.43Å; M489-T695 HydrophobicContact CG-CG2 4.21Å; M489-T695 HydrophobicContact SD-CG2 3.65Å; L491-T695 HydrophobicContact CB-CG2 3.75Å; L491-T695 HydrophobicContact CD2-CG2 4.23Å; E693-T695 VanDerWaalsContact C-N 3.3Å; E693-T695 PolarHBondContact O-N 2.88Å; T695-Y699 WeakPolarHBondContact O-CB 3.41Å; T695-Y699 PolarHBondContact O-N 3.16Å; T695-Y699 VanDerWaalsContact O-N 3.14Å; T695-W754 PolarHBondContact O-NE1 2.96Å
696S90.9Very high90.2Very high7 Ų733.6 Ų33.65%0.04918%0.176CC..Hα-helixtrans-73.2-35177.8-56.50000110.4E693 S694 Y699 I700E693-S696 WeakPolarHBondContact O-CB 3.35Å; E693-S696 PolarHBondContact O-N 2.83Å; S694-S696 VanDerWaalsContact C-N 3.29Å; S694-S696 PolarHBondContact O-N 3.29Å; S696-Y699 PolarHBondContact O-N 3.44Å; S696-I700 WeakPolarHBondContact O-CD1 3.37Å; S696-I700 WeakPolarHBondContact O-CG1 3.32Å; S696-I700 PolarHBondContact O-N 2.9Å
697I92.1Very high90.3Very high0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-64-50.7173.8-66.8174.6000110.6L496 M692 E693 S694 Y699 I700 S701 Q709L496-I697 HydrophobicContact CB-CD1 4.06Å; L496-I697 HydrophobicContact CB-CG1 4.08Å; L496-I697 HydrophobicContact CD1-CB 4.47Å; L496-I697 HydrophobicContact CD1-CG1 4.32Å; L496-I697 HydrophobicContact CD1-CG2 3.82Å; M692-I697 HydrophobicContact CB-CD1 4.14Å; M692-I697 HydrophobicContact CB-CG1 4.08Å; M692-I697 HydrophobicContact CE-CB 4.39Å; M692-I697 HydrophobicContact CE-CG1 3.59Å; E693-I697 PolarHBondContact O-N 2.91Å; E693-I697 VanDerWaalsContact O-N 3.12Å; S694-I697 WeakPolarHBondContact O-CB 3.43Å; S694-I697 PolarHBondContact O-N 2.84Å; I697-Y699 PolarHBondContact O-N 3.37Å; I697-I700 PolarHBondContact O-N 3.32Å; I697-S701 PolarHBondContact O-N 3.11Å; I697-S701 PolarHBondContact O-OG 3.29Å; I697-Q709 HydrophobicContact CG2-CB 3.6Å; I697-Q709 HydrophobicContact CG2-CG 3.83Å
698E90.9Very high90.3Very high58 Ų5828.2 Ų28.227%0.27115%0.146SC..Hα-helixtrans-53.3-42.9177.1-175.2-174.8173.500111.3S694 I700 S701 Q702 K750S694-E698 WeakPolarHBondContact O-CB 3.47Å; S694-E698 PolarHBondContact O-N 2.94Å; E698-I700 PolarHBondContact O-N 3.43Å; E698-S701 PolarHBondContact O-OG 3.25Å; E698-S701 VanDerWaalsContact O-OG 3.09Å; E698-Q702 WeakPolarHBondContact O-CG 3.42Å; E698-Q702 PolarHBondContact O-N 3.48Å; E698-K750 IonicContact OE1-NZ 3.64Å; E698-K750 PolarHBondContact OE1-NZ 2.83Å; E698-K750 WeakPolarHBondContact OE2-CE 3.49Å; E698-K750 IonicContact OE2-NZ 3.57Å; E698-K750 PolarHBondContact OE2-NZ 2.77Å
699Y90.6Very high90.2Very high26 Ų2632 Ų3210%0.10216%0.164CC..Hα-helixtrans-63.6-40177.8177.1-99.3000113.6N397 P398 T695 S696 I697 R703N397-Y699 HydrophobicContact CB-CE1 3.97Å; P398-Y699 HydrophobicContact CB-CD2 3.88Å; P398-Y699 HydrophobicContact CB-CE2 3.31Å; P398-Y699 HydrophobicContact CG-CD2 3.4Å; P398-Y699 VanDerWaalsContact CG-CD2 3.4Å; P398-Y699 HydrophobicContact CG-CE2 3.43Å; P398-Y699 VanDerWaalsContact CG-CE2 3.43Å; P398-Y699 HydrophobicContact CG-CG 4.09Å; T695-Y699 WeakPolarHBondContact O-CB 3.41Å; T695-Y699 PolarHBondContact O-N 3.16Å; T695-Y699 VanDerWaalsContact O-N 3.14Å; S696-Y699 PolarHBondContact O-N 3.44Å; I697-Y699 PolarHBondContact O-N 3.37Å; Y699-R703 PolarHBondContact O-NH1 2.87Å; Y699-R703 PolarHBondContact OH-NE 3Å
700I89.9Confident90Very high23 Ų2332.4 Ų32.412%0.11817%0.166CC..Hα-helixtrans-77.4-42.5-177.8-65.4158.6000110.5I680 M692 S696 I697 E698 Q702 R703 N704 L707I680-I700 HydrophobicContact CD1-CD1 3.32Å; I680-I700 HydrophobicContact CD1-CG1 4.1Å; I680-I700 HydrophobicContact CG1-CD1 3.82Å; I680-I700 HydrophobicContact CG2-CG2 4.36Å; M692-I700 HydrophobicContact CE-CD1 3.41Å; M692-I700 VanDerWaalsContact CE-CD1 3.41Å; M692-I700 HydrophobicContact SD-CD1 4.4Å; S696-I700 WeakPolarHBondContact O-CD1 3.37Å; S696-I700 WeakPolarHBondContact O-CG1 3.32Å; S696-I700 PolarHBondContact O-N 2.9Å; I697-I700 PolarHBondContact O-N 3.32Å; E698-I700 PolarHBondContact O-N 3.43Å; I700-Q702 VanDerWaalsContact C-N 3.28Å; I700-Q702 PolarHBondContact O-N 2.91Å; I700-R703 PolarHBondContact O-N 3.12Å; I700-N704 PolarHBondContact O-N 3.2Å; I700-L707 HydrophobicContact CG2-CD1 3.49Å; I700-L707 VanDerWaalsContact CG2-CD1 3.49Å
701S88.3Confident89.6Confident32 Ų3234.3 Ų34.322%0.22419%0.185CC..Hα-helixtrans-63.4-34.3-17961.90000112.1I697 E698 R703 C759I697-S701 PolarHBondContact O-N 3.11Å; I697-S701 PolarHBondContact O-OG 3.29Å; E698-S701 PolarHBondContact O-OG 3.25Å; E698-S701 VanDerWaalsContact O-OG 3.09Å; S701-R703 PolarHBondContact O-N 2.95Å; S701-C759 PolarHBondContact O-SG 3.05Å
702Q85.6Confident89.2Confident56 Ų5636.9 Ų36.926%0.26221%0.212SC..THydrogen-bonded Turntrans-68.6-17174.1-72.3-173.51400114.1E698 I700 W754 R755 G756 C759E698-Q702 WeakPolarHBondContact O-CG 3.42Å; E698-Q702 PolarHBondContact O-N 3.48Å; I700-Q702 VanDerWaalsContact C-N 3.28Å; I700-Q702 PolarHBondContact O-N 2.91Å; Q702-W754 PolarHBondContact OE1-O 2.99Å; Q702-R755 VanDerWaalsContact OE1-CA 3.25Å; Q702-G756 VanDerWaalsContact OE1-N 3.14Å; Q702-C759 PolarHBondContact O-N 3.47Å
703R86.6Confident89.2Confident100 Ų10041.8 Ų41.838%0.37724%0.238SC..THydrogen-bonded Turntrans-106.6-28.7-179.7-73.7173.3176.266.84.5113.2Y699 I700 S701 W754Y699-R703 PolarHBondContact O-NH1 2.87Å; Y699-R703 PolarHBondContact OH-NE 3Å; I700-R703 PolarHBondContact O-N 3.12Å; S701-R703 PolarHBondContact O-N 2.95Å; R703-W754 PolarHBondContact NH1-O 3.2Å
704N86.3Confident89.1Confident44 Ų4442.3 Ų42.324%0.23524%0.241CC..  trans-127.9101.1-177.9-171.1-5.5000109.6L684 I700 N706 L707L684-N704 WeakPolarHBondContact CD1-ND2 3.33Å; I700-N704 PolarHBondContact O-N 3.2Å; N704-N706 PolarHBondContact O-N 3.06Å; N704-N706 PolarHBondContact OD1-N 3.44Å; N704-L707 HydrophobicContact CB-CD1 4.19Å; N704-L707 PolarHBondContact O-N 3.27Å; N704-L707 VanDerWaalsContact O-N 3.14Å
705C86.1Confident88.9Confident53 Ų5342.7 Ų42.736%0.35824%0.242SC..THydrogen-bonded Turntrans-73.1-9.5-172.8-33.90000113.2L707 C759C705-L707 PolarHBondContact O-N 2.96Å; C705-C759 WeakPolarHBondContact CA-SG 3.24Å; C705-C759 HydrophobicContact CB-CB 4.13Å; C705-C759 WeakPolarHBondContact CB-SG 3.42Å; C705-C759 PolarHBondContact N-SG 3.09Å; C705-C759 WeakPolarHBondContact SG-CA 3.47Å; C705-C759 WeakPolarHBondContact SG-CB 3.49Å; C705-C759 CovalentContact SG-SG 2.04Å; C705-C759 PolarHBondContact SG-SG 3.01Å
706N88Confident88.8Confident106 Ų10648.1 Ų48.157%0.56728%0.28SS*.THydrogen-bonded Turntrans-79.4-1.4173.4-63.9-12.2000112.4H498 K499 L684 N704H498-N706 CarbonylContact C-O 3.58Å; H498-N706 VanDerWaalsContact CA-O 3.28Å; H498-N706 WeakPolarHBondContact CA-O 3.47Å; K499-N706 PolarHBondContact N-O 3.03Å; L684-N706 HydrophobicContact CD2-CB 3.99Å; N704-N706 PolarHBondContact O-N 3.06Å; N704-N706 PolarHBondContact OD1-N 3.44Å
707L89.4Confident88.8Confident4 Ų449.1 Ų49.12%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-118.7139.2179.9-65171.9000110L496 Y497 I680 V683 L684 I700 N704 C705L496-L707 HydrophobicContact CD1-CB 4.04Å; L496-L707 HydrophobicContact CD2-CD1 4.44Å; Y497-L707 WeakPolarHBondContact O-CA 3.33Å; I680-L707 HydrophobicContact CG2-CD1 3.82Å; V683-L707 HydrophobicContact CB-CD2 4.27Å; V683-L707 HydrophobicContact CG1-CD2 3.55Å; L684-L707 HydrophobicContact CD2-CD1 4.19Å; L684-L707 HydrophobicContact CD2-CD2 3.63Å; L684-L707 HydrophobicContact CD2-CG 3.76Å; L684-L707 HydrophobicContact CG-CD1 4.35Å; L684-L707 HydrophobicContact CG-CD2 3.99Å; L684-L707 HydrophobicContact CG-CG 4.35Å; I700-L707 HydrophobicContact CG2-CD1 3.49Å; I700-L707 VanDerWaalsContact CG2-CD1 3.49Å; N704-L707 HydrophobicContact CB-CD1 4.19Å; N704-L707 PolarHBondContact O-N 3.27Å; N704-L707 VanDerWaalsContact O-N 3.14Å; C705-L707 PolarHBondContact O-N 2.96Å
708T88.4Confident88.8Confident36 Ų3649.5 Ų49.522%0.22129%0.287CS..EExtended strand (participates in β ladder)trans-129.3147.2177.4480000110.7Y497 K499Y497-T708 PolarHBondContact N-O 3.37Å; Y497-T708 VanDerWaalsContact N-O 3.1Å; Y497-T708 PolarHBondContact O-N 3.4Å; K499-T708 HydrophobicContact CB-CG2 3.78Å; K499-T708 HydrophobicContact CD-CG2 3.83Å; K499-T708 HydrophobicContact CG-CG2 3.65Å
709Q90.3Very high89Confident81 Ų8146.7 Ų46.738%0.37927%0.274SS..EExtended strand (participates in β ladder)trans-78.7132.2166.3-173.5178.6-21.100108.5S494 I697S494-Q709 WeakPolarHBondContact OG-CG 3.18Å; S494-Q709 PolarHBondContact OG-NE2 2.88Å; I697-Q709 HydrophobicContact CG2-CB 3.6Å; I697-Q709 HydrophobicContact CG2-CG 3.83Å
710I88.2Confident89.3Confident8 Ų845.5 Ų45.54%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-115.2133.9177.9-61.6-168.7000109.9S494 I495 Y497 I623S494-I710 PolarHBondContact OG-O 3.29Å; I495-I710 HydrophobicContact CB-CB 4.32Å; I495-I710 HydrophobicContact CG2-CB 4.44Å; I495-I710 PolarHBondContact O-N 3.41Å; Y497-I710 VanDerWaalsContact CB-CD1 3.46Å; Y497-I710 HydrophobicContact CD1-CD1 3.88Å; Y497-I710 HydrophobicContact CG-CD1 3.99Å; I623-I710 HydrophobicContact CB-CG2 4.47Å; I623-I710 HydrophobicContact CD1-CD1 3.71Å; I623-I710 HydrophobicContact CD1-CG2 4.2Å; I623-I710 HydrophobicContact CG1-CD1 3.63Å; I623-I710 HydrophobicContact CG1-CG2 4.07Å; I623-I710 WeakPolarHBondContact O-CG2 3.44Å
711G85.4Confident89.6Confident39 Ų3944.4 Ų44.440%0.40226%0.264SS..SBendtrans70.4-17618000000114D624D624-G711 WeakPolarHBondContact O-CA 3.45Å
712G87.3Confident89.9Confident56 Ų5642.9 Ų42.958%0.57725%0.253SS*.SBendtrans-84.8-162.6177.700000113.9S494S494-G712 PolarHBondContact OG-O 3.46Å
713L90.3Very high90.3Very high108 Ų10840.2 Ų40.257%0.56524%0.241SC*.  trans-81.7118.9171.1-64.3152.8000108.6G492 S694 D715G492-L713 VanDerWaalsContact N-CD2 3.29Å; S694-L713 WeakPolarHBondContact OG-CD2 3.15Å; L713-D715 VanDerWaalsContact C-N 3.29Å
714I90.7Very high90.6Very high32 Ų3235.5 Ų35.516%0.16422%0.223CC..SBendtrans-69.4-31.7179.5-68.9174.6000111.2I493 I495 A626 F648 Y657 L691I493-I714 HydrophobicContact CB-CB 4.21Å; I493-I714 HydrophobicContact CG2-CD1 4.1Å; I493-I714 WeakPolarHBondContact O-CB 3.25Å; I493-I714 PolarHBondContact O-N 3.38Å; I495-I714 HydrophobicContact CG1-CD1 4.38Å; A626-I714 HydrophobicContact CB-CD1 3.95Å; A626-I714 HydrophobicContact CB-CG1 4.39Å; F648-I714 HydrophobicContact CE1-CG2 4.44Å; Y657-I714 HydrophobicContact CE1-CG2 4.06Å; Y657-I714 HydrophobicContact CE2-CG2 4.07Å; Y657-I714 WeakPolarHBondContact OH-CG2 3.27Å; L691-I714 HydrophobicContact CD2-CD1 4.24Å
715D89.9Confident90.5Very high25 Ų2538.4 Ų38.413%0.13424%0.237CC..SBendtrans-142.1172.9177.765.8-1.3000111.6G492 I493 F648 L713 K717G492-D715 WeakPolarHBondContact CA-O 3.22Å; G492-D715 VanDerWaalsContact CA-OD1 3.22Å; G492-D715 WeakPolarHBondContact CA-OD1 3.38Å; I493-D715 VanDerWaalsContact CD1-OD2 3.31Å; I493-D715 WeakPolarHBondContact CD1-OD2 3.31Å; I493-D715 PolarHBondContact N-OD1 3.45Å; F648-D715 HydrophobicContact CE2-CB 4.29Å; F648-D715 HydrophobicContact CZ-CB 4.15Å; L713-D715 VanDerWaalsContact C-N 3.29Å; D715-K717 WeakPolarHBondContact OD2-CD 3.37Å; D715-K717 WeakPolarHBondContact OD2-CE 3.43Å; D715-K717 IonicContact OD2-NZ 3.78Å; D715-K717 PolarHBondContact OD2-NZ 2.72Å
716S89.1Confident90.1Very high117 Ų11738.8 Ų38.882%0.81825%0.25SS*.  trans-117.3113.9174-177.50000109.1
717K90.6Very high89.8Confident28 Ų2833.9 Ų33.912%0.12223%0.225CC..EExtended strand (participates in β ladder)trans-132.2173.1-177.6-77.5170.3166.8155.50109.7T473 T490 L491 I493 D715T473-K717 HydrophobicContact CG2-CB 4.09Å; T473-K717 HydrophobicContact CG2-CD 3.76Å; T473-K717 HydrophobicContact CG2-CG 4.19Å; T490-K717 WeakPolarHBondContact CA-O 3.32Å; L491-K717 HydrophobicContact CD1-CB 4.21Å; L491-K717 PolarHBondContact N-O 3.4Å; L491-K717 CarbonylContact O-C 3.58Å; L491-K717 WeakPolarHBondContact O-CA 3.47Å; L491-K717 PolarHBondContact O-N 3.42Å; I493-K717 VanDerWaalsContact CD1-NZ 3.35Å; D715-K717 WeakPolarHBondContact OD2-CD 3.37Å; D715-K717 WeakPolarHBondContact OD2-CE 3.43Å; D715-K717 IonicContact OD2-NZ 3.78Å; D715-K717 PolarHBondContact OD2-NZ 2.72Å
718G93.6Very high89.3Confident7 Ų737.2 Ų37.27%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-151.6156.3170.400000112.3I474 M489I474-G718 PolarHBondContact N-O 2.86Å; M489-G718 CarbonylContact O-C 3.55Å; M489-G718 WeakPolarHBondContact O-CA 3.29Å
719Y95.4Very high89.1Confident0 Ų036.1 Ų36.10%024%0.238CC..EExtended strand (participates in β ladder)trans-85.2134.1165.6-61.5-38.1000109.8Y399 P471 P487 F488 M489 L491 E693Y399-Y719 HydrophobicContact CE1-CD2 4.26Å; Y399-Y719 AromaticContact CE1-CE2 3.85Å; Y399-Y719 HydrophobicContact CE1-CE2 3.85Å; Y399-Y719 AromaticContact CZ-CE2 3.78Å; Y399-Y719 WeakPolarHBondContact OH-CE2 3.33Å; P471-Y719 VanDerWaalsContact C-CD1 3.41Å; P471-Y719 HydrophobicContact CB-CD1 4.24Å; P471-Y719 HydrophobicContact CB-CD2 4Å; P471-Y719 HydrophobicContact CB-CE1 3.89Å; P471-Y719 HydrophobicContact CB-CE2 3.63Å; P471-Y719 HydrophobicContact CB-CG 4.3Å; P471-Y719 WeakPolarHBondContact O-CE1 3.2Å; P487-Y719 CarbonylContact C-O 3.59Å; P487-Y719 WeakPolarHBondContact CA-O 3.39Å; P487-Y719 WeakPolarHBondContact CB-O 3.43Å; F488-Y719 WeakPolarHBondContact CD1-O 3.3Å; F488-Y719 HydrophobicContact CE2-CD2 4.42Å; F488-Y719 HydrophobicContact CZ-CD2 4.35Å; F488-Y719 HydrophobicContact CZ-CG 4.29Å; F488-Y719 PolarHBondContact N-O 2.86Å; M489-Y719 HydrophobicContact CB-CD2 4.4Å; M489-Y719 PolarHBondContact O-N 3.35Å; M489-Y719 HydrophobicContact SD-CD2 4.38Å; L491-Y719 HydrophobicContact CD1-CE1 4.36Å; L491-Y719 HydrophobicContact CD2-CD1 3.73Å; L491-Y719 HydrophobicContact CD2-CD2 3.38Å; L491-Y719 HydrophobicContact CD2-CE1 3.55Å; L491-Y719 HydrophobicContact CD2-CE2 3.17Å; L491-Y719 HydrophobicContact CD2-CG 3.64Å; E693-Y719 PolarHBondContact OE2-OH 3.41Å
720G95.1Very high89Confident0 Ų035.7 Ų35.70%023%0.233CC..  trans-129.4160.8174.600000110.6L472L472-G720 PolarHBondContact O-N 2.81Å
721V96.4Very high89Confident0 Ų039.2 Ų39.20%025%0.252CS..  trans-78.2124.8171.6178.70000108L467 V469 F484 S485 F488 V733 I737L467-V721 HydrophobicContact CD2-CG1 4.1Å; V469-V721 HydrophobicContact CG2-CG1 3.95Å; V469-V721 HydrophobicContact CG2-CG2 4.37Å; F484-V721 WeakPolarHBondContact CA-O 3.46Å; S485-V721 PolarHBondContact N-O 3.48Å; S485-V721 PolarHBondContact OG-N 3.12Å; F488-V721 HydrophobicContact CD1-CG2 4.31Å; V721-V733 HydrophobicContact CB-CG1 4.06Å; V721-V733 HydrophobicContact CG1-CG1 4.14Å; V721-V733 HydrophobicContact CG2-CG1 4.22Å; V721-I737 HydrophobicContact CG2-CD1 3.88Å
722G95.4Very high89Confident0 Ų039.6 Ų39.60%024%0.243CC..EExtended strand (participates in β ladder)trans-83.3136.717700000110.8A468A468-G722 PolarHBondContact N-O 2.62Å; A468-G722 PolarHBondContact O-N 3.37Å
723T94.6Very high89.2Confident0 Ų037 Ų370%022%0.216CC..EExtended strand (participates in β ladder)trans-134.8153.9176.362.20000110.4I482 D483 S727I482-T723 WeakPolarHBondContact CB-O 3.35Å; D483-T723 PolarHBondContact N-O 3.25Å; D483-T723 PolarHBondContact O-N 3.45Å; D483-T723 VanDerWaalsContact O-O 3.08Å; D483-T723 PolarHBondContact O-OG1 3.24Å; D483-T723 VanDerWaalsContact O-OG1 3.11Å; T723-S727 VanDerWaalsContact CB-OG 3.25Å; T723-S727 WeakPolarHBondContact CB-OG 3.25Å; T723-S727 PolarHBondContact OG1-OG 3.5Å
724P91.3Very high89.4Confident1 Ų132.8 Ų32.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-58.5149.3172.5-22.733.7000111.3L460 H463 D466 G726 S727L460-P724 HydrophobicContact CD2-CG 4.4Å; H463-P724 VanDerWaalsContact CE1-CB 3.42Å; H463-P724 WeakPolarHBondContact CE1-CB 3.44Å; D466-P724 WeakPolarHBondContact O-CD 3.43Å; P724-G726 PolarHBondContact O-N 3.44Å; P724-S727 VanDerWaalsContact O-CB 3.23Å; P724-S727 WeakPolarHBondContact O-CB 3.46Å; P724-S727 PolarHBondContact O-N 3.27Å; P724-S727 PolarHBondContact O-OG 2.94Å
725I85.5Confident89.5Confident105 Ų10536.5 Ų36.554%0.53821%0.214SC..THydrogen-bonded Turntrans-61128.5-176.5-165.1160.5000111.1S727I725-S727 VanDerWaalsContact C-N 3.26Å; I725-S727 PolarHBondContact O-N 3.05Å
726G77.8Confident89.6Confident61 Ų6135.4 Ų35.463%0.62921%0.208SC*.THydrogen-bonded Turntrans71.416.2-177.300000114.7D483 P724D483-G726 PolarHBondContact OD2-N 3.3Å; P724-G726 PolarHBondContact O-N 3.44Å
727S81.2Confident89.9Confident4 Ų430 Ų303%0.02817%0.17CC..  trans-63.5140.2174.773.60000111.4T723 P724 I725 Y729T723-S727 VanDerWaalsContact CB-OG 3.25Å; T723-S727 WeakPolarHBondContact CB-OG 3.25Å; T723-S727 PolarHBondContact OG1-OG 3.5Å; P724-S727 VanDerWaalsContact O-CB 3.23Å; P724-S727 WeakPolarHBondContact O-CB 3.46Å; P724-S727 PolarHBondContact O-N 3.27Å; P724-S727 PolarHBondContact O-OG 2.94Å; I725-S727 VanDerWaalsContact C-N 3.26Å; I725-S727 PolarHBondContact O-N 3.05Å; S727-Y729 PolarHBondContact O-N 3.1Å
728P79.4Confident90Very high74 Ų7433 Ų3348%0.48119%0.187SC..THydrogen-bonded Turntrans-70.7-13.7174.630.4-35.3000112.4
729Y83.5Confident90Very high12 Ų1236.2 Ų36.25%0.04720%0.2CC..Hα-helixtrans-76.3-29.7-178.1-54.2-50.3000113.1M384 L389 L467 S727 D731 K732 V733M384-Y729 HydrophobicContact CG-CD1 3.98Å; M384-Y729 HydrophobicContact CG-CE1 3.84Å; M384-Y729 HydrophobicContact SD-CD1 3.59Å; M384-Y729 VanDerWaalsContact SD-CD1 3.59Å; M384-Y729 HydrophobicContact SD-CE1 4.01Å; L389-Y729 HydrophobicContact CD2-CE2 4.24Å; L467-Y729 HydrophobicContact CD1-CD2 4.44Å; S727-Y729 PolarHBondContact O-N 3.1Å; Y729-D731 VanDerWaalsContact C-N 3.34Å; Y729-D731 PolarHBondContact O-N 3.35Å; Y729-K732 PolarHBondContact O-N 3.14Å; Y729-V733 WeakPolarHBondContact O-CB 3.39Å; Y729-V733 VanDerWaalsContact O-CG2 3.3Å; Y729-V733 WeakPolarHBondContact O-CG2 3.5Å; Y729-V733 PolarHBondContact O-N 2.95Å
730R88.6Confident90Very high73 Ų7336.2 Ų36.228%0.27520%0.2SC..Hα-helixtrans-52.2-49.3-175.5-176.8-161.569.9-152.7-3113D483 T734D483-R730 HydrophobicContact CB-CG 4.37Å; D483-R730 IonicContact OD2-NH1 3.78Å; D483-R730 PolarHBondContact OD2-NH1 3.42Å; R730-T734 VanDerWaalsContact O-CB 3.28Å; R730-T734 WeakPolarHBondContact O-CB 3.46Å; R730-T734 PolarHBondContact O-N 3.38Å; R730-T734 PolarHBondContact O-OG1 3.35Å
731D86.9Confident89.9Confident82 Ų8241.7 Ų41.744%0.43923%0.225SC..Hα-helixtrans-70.7-39.6-174.6-65.2-21.5000110.8Y729 T734 I735Y729-D731 VanDerWaalsContact C-N 3.34Å; Y729-D731 PolarHBondContact O-N 3.35Å; D731-T734 WeakPolarHBondContact O-CB 3.21Å; D731-T734 PolarHBondContact O-N 3.34Å; D731-I735 VanDerWaalsContact O-CG1 3.3Å; D731-I735 WeakPolarHBondContact O-CG1 3.14Å; D731-I735 PolarHBondContact O-N 2.9Å
732K86.9Confident89.8Confident46 Ų4650 Ų5020%0.227%0.265CS..Hα-helixtrans-64.6-46176.1-62-175.4177-170.20112S383 M384 L430 Y729 T734 I735 A736S383-K732 VanDerWaalsContact CB-NZ 3.34Å; S383-K732 PolarHBondContact OG-NZ 2.94Å; M384-K732 HydrophobicContact CE-CB 3.57Å; M384-K732 HydrophobicContact CE-CD 3.36Å; M384-K732 HydrophobicContact CE-CG 4.09Å; L430-K732 HydrophobicContact CD2-CB 4.28Å; Y729-K732 PolarHBondContact O-N 3.14Å; K732-T734 VanDerWaalsContact C-N 3.3Å; K732-T734 PolarHBondContact O-N 2.8Å; K732-I735 PolarHBondContact O-N 2.91Å; K732-A736 PolarHBondContact O-N 2.81Å
733V91.8Very high89.8Confident2 Ų254.3 Ų54.31%0.01228%0.284CS..Hα-helixtrans-62.6-39.3175.1171.90000110.9L430 L467 V721 Y729 A736 I737L430-V733 HydrophobicContact CD1-CG2 4.14Å; L467-V733 HydrophobicContact CD2-CG2 3.99Å; V721-V733 HydrophobicContact CB-CG1 4.06Å; V721-V733 HydrophobicContact CG1-CG1 4.14Å; V721-V733 HydrophobicContact CG2-CG1 4.22Å; Y729-V733 WeakPolarHBondContact O-CB 3.39Å; Y729-V733 VanDerWaalsContact O-CG2 3.3Å; Y729-V733 WeakPolarHBondContact O-CG2 3.5Å; Y729-V733 PolarHBondContact O-N 2.95Å; V733-A736 PolarHBondContact O-N 3.13Å; V733-I737 HydrophobicContact CG1-CD1 3.79Å; V733-I737 HydrophobicContact CG1-CG1 4.36Å; V733-I737 VanDerWaalsContact O-CG1 3.31Å; V733-I737 WeakPolarHBondContact O-CG1 3.18Å; V733-I737 PolarHBondContact O-N 2.79Å
734T93.3Very high89.7Confident20 Ų2055.6 Ų55.612%0.12330%0.298CS..Hα-helixtrans-61.8-46.3176.9-66.40000111.9S485 K486 R730 D731 K732 A736 I737 L738S485-T734 WeakPolarHBondContact CA-OG1 3.35Å; K486-T734 HydrophobicContact CB-CG2 4Å; K486-T734 HydrophobicContact CG-CG2 3.41Å; K486-T734 VanDerWaalsContact CG-CG2 3.41Å; R730-T734 VanDerWaalsContact O-CB 3.28Å; R730-T734 WeakPolarHBondContact O-CB 3.46Å; R730-T734 PolarHBondContact O-N 3.38Å; R730-T734 PolarHBondContact O-OG1 3.35Å; D731-T734 WeakPolarHBondContact O-CB 3.21Å; D731-T734 PolarHBondContact O-N 3.34Å; K732-T734 VanDerWaalsContact C-N 3.3Å; K732-T734 PolarHBondContact O-N 2.8Å; T734-A736 VanDerWaalsContact C-N 3.35Å; T734-I737 PolarHBondContact O-N 3.04Å; T734-L738 HydrophobicContact CG2-CD1 4.25Å; T734-L738 WeakPolarHBondContact O-CG 3.38Å; T734-L738 PolarHBondContact O-N 2.91Å
735I92.1Very high89.8Confident110 Ų11058.4 Ų58.456%0.56431%0.31SS*.Hα-helixtrans-62.4-43.9177-66162.9000110.4D731 K732 I737 L738 Q739D731-I735 VanDerWaalsContact O-CG1 3.3Å; D731-I735 WeakPolarHBondContact O-CG1 3.14Å; D731-I735 PolarHBondContact O-N 2.9Å; K732-I735 PolarHBondContact O-N 2.91Å; I735-I737 PolarHBondContact O-N 3.24Å; I735-L738 PolarHBondContact O-N 3.16Å; I735-Q739 PolarHBondContact O-N 3.11Å
736A92.8Very high90.2Very high2 Ų253.7 Ų53.72%0.01729%0.286CS..Hα-helixtrans-63.2-39.8177.700000112.9L426 I429 L430 K732 V733 T734 L738 Q739 L740L426-A736 HydrophobicContact CD2-CB 3.65Å; I429-A736 HydrophobicContact CG2-CB 4.19Å; L430-A736 HydrophobicContact CD1-CB 3.94Å; L430-A736 HydrophobicContact CD2-CB 4.14Å; L430-A736 HydrophobicContact CG-CB 4.08Å; K732-A736 PolarHBondContact O-N 2.81Å; V733-A736 PolarHBondContact O-N 3.13Å; T734-A736 VanDerWaalsContact C-N 3.35Å; A736-L738 VanDerWaalsContact C-N 3.35Å; A736-Q739 PolarHBondContact O-N 2.86Å; A736-L740 WeakPolarHBondContact O-CG 3.23Å; A736-L740 PolarHBondContact O-N 3.49Å
737I95Very high90.9Very high2 Ų256.2 Ų56.21%0.0128%0.281CS..Hα-helixtrans-63.8-41.3174.9-71.2168.5000111L426 S485 F488 V721 V733 T734 I735 Q739 L740 Q741 L746L426-I737 HydrophobicContact CD2-CG1 4.14Å; S485-I737 VanDerWaalsContact OG-CD1 3.25Å; S485-I737 WeakPolarHBondContact OG-CD1 3.42Å; F488-I737 HydrophobicContact CB-CG2 3.88Å; V721-I737 HydrophobicContact CG2-CD1 3.88Å; V733-I737 HydrophobicContact CG1-CD1 3.79Å; V733-I737 HydrophobicContact CG1-CG1 4.36Å; V733-I737 VanDerWaalsContact O-CG1 3.31Å; V733-I737 WeakPolarHBondContact O-CG1 3.18Å; V733-I737 PolarHBondContact O-N 2.79Å; T734-I737 PolarHBondContact O-N 3.04Å; I735-I737 PolarHBondContact O-N 3.24Å; I737-Q739 VanDerWaalsContact C-N 3.34Å; I737-L740 PolarHBondContact O-N 3.1Å; I737-Q741 WeakPolarHBondContact O-CB 3.44Å; I737-Q741 PolarHBondContact O-N 2.96Å; I737-L746 HydrophobicContact CG2-CD1 4.33Å
738L94.1Very high91.5Very high92 Ų9261.3 Ų61.348%0.48231%0.306SS..Hα-helixtrans-63.4-41.3176.6-69.8171.4000111.5T734 I735 A736 Q741 E742T734-L738 HydrophobicContact CG2-CD1 4.25Å; T734-L738 WeakPolarHBondContact O-CG 3.38Å; T734-L738 PolarHBondContact O-N 2.91Å; I735-L738 PolarHBondContact O-N 3.16Å; A736-L738 VanDerWaalsContact C-N 3.35Å; L738-Q741 WeakPolarHBondContact O-CB 3.45Å; L738-Q741 PolarHBondContact O-N 3.13Å; L738-E742 PolarHBondContact O-N 2.85Å
739Q93.8Very high92.2Very high75 Ų7558.6 Ų58.635%0.3529%0.287SS..Hα-helixtrans-60.4-46.1173.5-176.4-177.4-11.500111.6I735 A736 I737 Q741 E742 E743I735-Q739 PolarHBondContact O-N 3.11Å; A736-Q739 PolarHBondContact O-N 2.86Å; I737-Q739 VanDerWaalsContact C-N 3.34Å; Q739-Q741 PolarHBondContact O-N 3.27Å; Q739-E742 PolarHBondContact O-N 2.77Å; Q739-E743 WeakPolarHBondContact CG-OE1 3.41Å; Q739-E743 PolarHBondContact NE2-OE1 3.46Å; Q739-E743 WeakPolarHBondContact O-CB 3.14Å; Q739-E743 WeakPolarHBondContact O-CG 3.3Å; Q739-E743 PolarHBondContact O-N 3.5Å
740L94.5Very high92.6Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-63.5-30.3176.7-69.3175000113.1L422 E425 L426 I429 A736 I737 G744 K745 L746L422-L740 HydrophobicContact CD1-CD1 3.76Å; E425-L740 HydrophobicContact CB-CD1 4.17Å; E425-L740 HydrophobicContact CB-CD2 4.05Å; L426-L740 HydrophobicContact CD2-CD1 3.98Å; L426-L740 HydrophobicContact CG-CD1 4.4Å; I429-L740 HydrophobicContact CD1-CD1 4.45Å; I429-L740 HydrophobicContact CD1-CD2 3.65Å; I429-L740 HydrophobicContact CD1-CG 3.89Å; A736-L740 WeakPolarHBondContact O-CG 3.23Å; A736-L740 PolarHBondContact O-N 3.49Å; I737-L740 PolarHBondContact O-N 3.1Å; L740-G744 PolarHBondContact O-N 2.83Å; L740-K745 HydrophobicContact CD2-CB 4.02Å; L740-K745 HydrophobicContact CD2-CD 3.52Å; L740-K745 HydrophobicContact CD2-CG 4.42Å; L740-K745 PolarHBondContact O-N 2.82Å; L740-L746 HydrophobicContact CB-CD1 4.25Å; L740-L746 HydrophobicContact CB-CD2 4.42Å; L740-L746 HydrophobicContact CB-CG 3.96Å; L740-L746 PolarHBondContact O-N 3.38Å
741Q94Very high92.7Very high114 Ų11462.2 Ų62.253%0.53331%0.307SS..Hα-helixtrans-71.9-43.9174.4-172.773.820.500111.1I737 L738 Q739 G744 L746I737-Q741 WeakPolarHBondContact O-CB 3.44Å; I737-Q741 PolarHBondContact O-N 2.96Å; L738-Q741 WeakPolarHBondContact O-CB 3.45Å; L738-Q741 PolarHBondContact O-N 3.13Å; Q739-Q741 PolarHBondContact O-N 3.27Å; Q741-G744 PolarHBondContact O-N 3.46Å; Q741-L746 HydrophobicContact CB-CD1 3.95Å
742E93.9Very high93Very high176 Ų17664.7 Ų64.782%0.82231%0.314SS*.Hα-helixtrans-66-39.5178.6-172.2173.8-171.900112L738 Q739 G744L738-E742 PolarHBondContact O-N 2.85Å; Q739-E742 PolarHBondContact O-N 2.77Å; E742-G744 PolarHBondContact O-N 2.89Å
743E94.3Very high93.2Very high89 Ų8964.2 Ų64.242%0.41631%0.31SS..THydrogen-bonded Turntrans-72.6-7.8173.9-69.4176.8-165.700113.4Q739 K745Q739-E743 WeakPolarHBondContact CG-OE1 3.41Å; Q739-E743 PolarHBondContact NE2-OE1 3.46Å; Q739-E743 WeakPolarHBondContact O-CB 3.14Å; Q739-E743 WeakPolarHBondContact O-CG 3.3Å; Q739-E743 PolarHBondContact O-N 3.5Å; E743-K745 HydrophobicContact CB-CG 4.25Å; E743-K745 PolarHBondContact O-N 3.38Å; E743-K745 WeakPolarHBondContact OE2-CD 3.26Å; E743-K745 WeakPolarHBondContact OE2-CE 3.39Å; E743-K745 IonicContact OE2-NZ 2.73Å; E743-K745 PolarHBondContact OE2-NZ 3.1Å
744G93.1Very high93.1Very high28 Ų2864.2 Ų64.229%0.28931%0.31SS..THydrogen-bonded Turntrans70.57.2-176.900000114.8L740 Q741 E742 L746 H747 M748L740-G744 PolarHBondContact O-N 2.83Å; Q741-G744 PolarHBondContact O-N 3.46Å; E742-G744 PolarHBondContact O-N 2.89Å; G744-L746 VanDerWaalsContact C-N 3.31Å; G744-L746 PolarHBondContact O-N 3.22Å; G744-H747 WeakPolarHBondContact O-CB 3.42Å; G744-H747 PolarHBondContact O-N 2.69Å; G744-H747 VanDerWaalsContact O-N 3.15Å; G744-M748 PolarHBondContact O-N 2.93Å; G744-M748 VanDerWaalsContact O-N 3.15Å
745K94.3Very high92.6Very high60 Ų6071.3 Ų71.326%0.26134%0.335SS..Hα-helixtrans-61.4-36.8179.8-79.4-178.6174.7176.70113.1E425 L740 E743 H747 M748 M749E425-K745 IonicContact OE2-NZ 2.84Å; E425-K745 PolarHBondContact OE2-NZ 3.15Å; L740-K745 HydrophobicContact CD2-CB 4.02Å; L740-K745 HydrophobicContact CD2-CD 3.52Å; L740-K745 HydrophobicContact CD2-CG 4.42Å; L740-K745 PolarHBondContact O-N 2.82Å; E743-K745 HydrophobicContact CB-CG 4.25Å; E743-K745 PolarHBondContact O-N 3.38Å; E743-K745 WeakPolarHBondContact OE2-CD 3.26Å; E743-K745 WeakPolarHBondContact OE2-CE 3.39Å; E743-K745 IonicContact OE2-NZ 2.73Å; E743-K745 PolarHBondContact OE2-NZ 3.1Å; K745-H747 VanDerWaalsContact C-N 3.25Å; K745-H747 PolarHBondContact O-N 2.93Å; K745-M748 HydrophobicContact CB-CE 4.19Å; K745-M748 HydrophobicContact CG-CE 3.62Å; K745-M748 PolarHBondContact O-N 2.99Å; K745-M749 HydrophobicContact CB-CE 4.49Å; K745-M749 WeakPolarHBondContact O-CG 3.32Å; K745-M749 PolarHBondContact O-N 3.45Å
746L93.9Very high91.2Very high6 Ų667.1 Ų67.13%0.03132%0.318CS..Hα-helixtrans-60.3-37176.7-70.1172.1000112L422 F488 I737 L740 Q741 G744 M749 K750L422-L746 HydrophobicContact CD1-CD2 3.69Å; F488-L746 HydrophobicContact CB-CD1 4.28Å; F488-L746 HydrophobicContact CB-CD2 4.28Å; I737-L746 HydrophobicContact CG2-CD1 4.33Å; L740-L746 HydrophobicContact CB-CD1 4.25Å; L740-L746 HydrophobicContact CB-CD2 4.42Å; L740-L746 HydrophobicContact CB-CG 3.96Å; L740-L746 PolarHBondContact O-N 3.38Å; Q741-L746 HydrophobicContact CB-CD1 3.95Å; G744-L746 VanDerWaalsContact C-N 3.31Å; G744-L746 PolarHBondContact O-N 3.22Å; L746-M749 HydrophobicContact CD2-CE 3.85Å; L746-K750 PolarHBondContact O-N 3.41Å
747H92.1Very high89.7Confident113 Ų11375 Ų7552%0.52336%0.36SS..Hα-helixtrans-70.7-46.3175.9-170.7-88000111.7G744 K745 M749 K750 E751G744-H747 WeakPolarHBondContact O-CB 3.42Å; G744-H747 PolarHBondContact O-N 2.69Å; G744-H747 VanDerWaalsContact O-N 3.15Å; K745-H747 VanDerWaalsContact C-N 3.25Å; K745-H747 PolarHBondContact O-N 2.93Å; H747-M749 VanDerWaalsContact C-N 3.3Å; H747-M749 PolarHBondContact O-N 3.43Å; H747-K750 WeakPolarHBondContact O-CA 3.49Å; H747-K750 WeakPolarHBondContact O-CB 3.46Å; H747-K750 PolarHBondContact O-N 3.49Å; H747-E751 IonicContact CE1-OE1 3.34Å; H747-E751 PolarHBondContact CE1-OE1 3.03Å; H747-E751 IonicContact ND1-OE1 2.69Å; H747-E751 PolarHBondContact O-N 3.47Å
748M93.5Very high88Confident112 Ų11277 Ų7755%0.55238%0.381SS*.Hα-helixtrans-57.8-42.9176.7-67.7-170.8-74.200112.1G744 K745 K752G744-M748 PolarHBondContact O-N 2.93Å; G744-M748 VanDerWaalsContact O-N 3.15Å; K745-M748 HydrophobicContact CB-CE 4.19Å; K745-M748 HydrophobicContact CG-CE 3.62Å; K745-M748 PolarHBondContact O-N 2.99Å; M748-K752 WeakPolarHBondContact O-CB 3.48Å; M748-K752 PolarHBondContact O-N 3.34Å
749M94.1Very high86.8Confident17 Ų1774 Ų748%0.08437%0.368CS..Hα-helixtrans-66.1-37.4174.3-69.8-174.5-70.600111.9Y418 D421 L422 E425 K745 L746 H747 K752 W753Y418-M749 HydrophobicContact CD2-CB 3.92Å; Y418-M749 HydrophobicContact CE2-CB 3.57Å; D421-M749 HydrophobicContact CB-SD 3.87Å; L422-M749 HydrophobicContact CD1-CE 4.33Å; E425-M749 HydrophobicContact CG-SD 4.34Å; K745-M749 HydrophobicContact CB-CE 4.49Å; K745-M749 WeakPolarHBondContact O-CG 3.32Å; K745-M749 PolarHBondContact O-N 3.45Å; L746-M749 HydrophobicContact CD2-CE 3.85Å; H747-M749 VanDerWaalsContact C-N 3.3Å; H747-M749 PolarHBondContact O-N 3.43Å; M749-K752 PolarHBondContact O-N 2.93Å; M749-W753 VanDerWaalsContact O-CD1 3.22Å; M749-W753 PolarHBondContact O-N 3.49Å
750K92.5Very high85.5Confident56 Ų5675.7 Ų75.724%0.24339%0.385CS..Hα-helixtrans-61.8-51176.4-173.6-170175.1-1660109.9Y418 M489 E698 L746 H747 K752 W753 W754Y418-K750 HydrophobicContact CE2-CB 4.35Å; M489-K750 HydrophobicContact CE-CB 4.41Å; M489-K750 HydrophobicContact CE-CD 4.4Å; M489-K750 HydrophobicContact CE-CG 4.14Å; E698-K750 IonicContact OE1-NZ 3.64Å; E698-K750 PolarHBondContact OE1-NZ 2.83Å; E698-K750 WeakPolarHBondContact OE2-CE 3.49Å; E698-K750 IonicContact OE2-NZ 3.57Å; E698-K750 PolarHBondContact OE2-NZ 2.77Å; L746-K750 PolarHBondContact O-N 3.41Å; H747-K750 WeakPolarHBondContact O-CA 3.49Å; H747-K750 WeakPolarHBondContact O-CB 3.46Å; H747-K750 PolarHBondContact O-N 3.49Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 2.92Å; K750-W753 PolarHBondContact O-N 3.2Å; K750-W754 HydrophobicContact CG-CD2 4.09Å; K750-W754 HydrophobicContact CG-CE3 3.88Å; K750-W754 HydrophobicContact CG-CG 4.41Å; K750-W754 HydrophobicContact CG-CZ3 4.46Å; K750-W754 WeakPolarHBondContact O-CB 3.27Å; K750-W754 PolarHBondContact O-N 3.46Å
751E90.4Very high83.7Confident105 Ų10582.6 Ų82.649%0.49142%0.417SS..Hα-helixtrans-57.7-44.8178.4-72.2-170.2157.900111.9H747 W753 R755H747-E751 IonicContact CE1-OE1 3.34Å; H747-E751 PolarHBondContact CE1-OE1 3.03Å; H747-E751 IonicContact ND1-OE1 2.69Å; H747-E751 PolarHBondContact O-N 3.47Å; E751-W753 VanDerWaalsContact C-N 3.32Å; E751-W753 PolarHBondContact O-N 2.91Å; E751-R755 WeakPolarHBondContact O-CB 3.42Å; E751-R755 PolarHBondContact O-N 3.04Å
752K91.7Very high81.9Confident134 Ų13484.2 Ų84.258%0.58343%0.425SS*.Hα-helixtrans-54.4-44178178.9-172.5172.7-167.30113.2D421 M748 M749 K750D421-K752 IonicContact OD1-NZ 2.87Å; D421-K752 IonicContact OD2-NZ 2.76Å; D421-K752 PolarHBondContact OD2-NZ 3.37Å; M748-K752 WeakPolarHBondContact O-CB 3.48Å; M748-K752 PolarHBondContact O-N 3.34Å; M749-K752 PolarHBondContact O-N 2.93Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 2.92Å
753W91.5Very high79.4Confident35 Ų3582.2 Ų82.213%0.13342%0.42CS..Hα-helixtrans-92.4-29.5-172.6-73.8105.4000113.9P398 M401 E416 G417 Y418 D421 M749 K750 E751P398-W753 HydrophobicContact CB-CB 4.35Å; P398-W753 HydrophobicContact CB-CE3 4.43Å; P398-W753 HydrophobicContact CG-CB 4.5Å; M401-W753 HydrophobicContact CE-CE3 3.99Å; M401-W753 HydrophobicContact CE-CZ3 3.54Å; E416-W753 HydrophobicContact CB-CH2 4.13Å; E416-W753 HydrophobicContact CG-CH2 4.28Å; G417-W753 VanDerWaalsContact C-CE2 3.43Å; G417-W753 VanDerWaalsContact C-CZ2 3.49Å; G417-W753 VanDerWaalsContact CA-CH2 3.47Å; G417-W753 VanDerWaalsContact CA-CZ2 3.46Å; G417-W753 VanDerWaalsContact N-CH2 3.33Å; Y418-W753 AromaticContact CD2-CD1 3.91Å; D421-W753 WeakPolarHBondContact OD2-CZ2 3.37Å; D421-W753 PolarHBondContact OD2-NE1 2.83Å; M749-W753 VanDerWaalsContact O-CD1 3.22Å; M749-W753 PolarHBondContact O-N 3.49Å; K750-W753 PolarHBondContact O-N 3.2Å; E751-W753 VanDerWaalsContact C-N 3.32Å; E751-W753 PolarHBondContact O-N 2.91Å
754W89.9Confident77Confident3 Ų382.4 Ų82.41%0.01143%0.431CS..Hα-helixtrans-82-48.6179.1-87.9-106.7000111.5P398 Y399 Y418 M489 T695 Q702 R703 K750 G756P398-W754 HydrophobicContact CG-CD2 4.28Å; P398-W754 HydrophobicContact CG-CE3 4.17Å; P398-W754 HydrophobicContact CG-CH2 3.81Å; P398-W754 HydrophobicContact CG-CZ2 3.9Å; P398-W754 HydrophobicContact CG-CZ3 3.95Å; Y399-W754 HydrophobicContact CD1-CH2 4.11Å; Y399-W754 AromaticContact CE1-CH2 3.53Å; Y399-W754 HydrophobicContact CE1-CH2 3.53Å; Y399-W754 AromaticContact CE1-CZ2 3.87Å; Y399-W754 HydrophobicContact CE1-CZ2 3.87Å; Y399-W754 AromaticContact CZ-CH2 3.89Å; Y399-W754 AromaticContact CZ-CZ2 3.73Å; Y399-W754 WeakPolarHBondContact OH-CZ2 3.47Å; Y418-W754 HydrophobicContact CD1-CZ3 4.49Å; Y418-W754 HydrophobicContact CD2-CE3 4.5Å; Y418-W754 HydrophobicContact CD2-CH2 4.47Å; Y418-W754 AromaticContact CD2-CZ3 3.64Å; Y418-W754 HydrophobicContact CD2-CZ3 3.64Å; Y418-W754 HydrophobicContact CE2-CZ3 4.31Å; Y418-W754 HydrophobicContact CG-CH2 4.21Å; Y418-W754 AromaticContact CG-CZ3 3.74Å; Y418-W754 HydrophobicContact CG-CZ3 3.74Å; M489-W754 HydrophobicContact CE-CH2 4.02Å; M489-W754 HydrophobicContact CE-CZ3 4.22Å; M489-W754 HydrophobicContact SD-CH2 4.34Å; M489-W754 HydrophobicContact SD-CZ2 4.44Å; T695-W754 PolarHBondContact O-NE1 2.96Å; Q702-W754 PolarHBondContact OE1-O 2.99Å; R703-W754 PolarHBondContact NH1-O 3.2Å; K750-W754 HydrophobicContact CG-CD2 4.09Å; K750-W754 HydrophobicContact CG-CE3 3.88Å; K750-W754 HydrophobicContact CG-CG 4.41Å; K750-W754 HydrophobicContact CG-CZ3 4.46Å; K750-W754 WeakPolarHBondContact O-CB 3.27Å; K750-W754 PolarHBondContact O-N 3.46Å; W754-G756 PolarHBondContact O-N 3.36Å
755R82.1Confident75Confident169 Ų16988.5 Ų88.564%0.63845%0.45SS*.  trans-55.4108.6-172.8-161.6174.9-169.9-176.22.5110.9Q702 E751Q702-R755 VanDerWaalsContact OE1-CA 3.25Å; E751-R755 WeakPolarHBondContact O-CB 3.42Å; E751-R755 PolarHBondContact O-N 3.04Å
756G63.4Low72.9Confident21 Ų2193.6 Ų93.622%0.21648%0.475CS..  trans-115.6128.7178.800000111.7Q702 W754 G758Q702-G756 VanDerWaalsContact OE1-N 3.14Å; W754-G756 PolarHBondContact O-N 3.36Å; G756-G758 PolarHBondContact O-N 2.82Å
757N60.6Low70.9Confident168 Ų16898 Ų9890%0.89851%0.512SS*.THydrogen-bonded Turntrans-73.624.1170.4-61.1-4000112.4
758G60.2Low69.3Low44 Ų4497.6 Ų97.645%0.45452%0.522SS..THydrogen-bonded Turntrans-83.5-31.4-170.500000113.2G756G756-G758 PolarHBondContact O-N 2.82Å
759C69.3Low67.7Low29 Ų2996.9 Ų96.920%0.19653%0.534CS..SBendtrans-114136.7172.6-65.50000108.9S701 Q702 C705 E761S701-C759 PolarHBondContact O-SG 3.05Å; Q702-C759 PolarHBondContact O-N 3.47Å; C705-C759 WeakPolarHBondContact CA-SG 3.24Å; C705-C759 HydrophobicContact CB-CB 4.13Å; C705-C759 WeakPolarHBondContact CB-SG 3.42Å; C705-C759 PolarHBondContact N-SG 3.09Å; C705-C759 WeakPolarHBondContact SG-CA 3.47Å; C705-C759 WeakPolarHBondContact SG-CB 3.49Å; C705-C759 CovalentContact SG-SG 2.04Å; C705-C759 PolarHBondContact SG-SG 3.01Å; C759-E761 PolarHBondContact O-N 3.37Å
760P66.2Low66.4Low111 Ų111101.2 Ų101.272%0.72156%0.557SS**  trans-53.4130.8165.523.2-29.5000107.2E762P760-E762 PolarHBondContact O-N 3.01Å
761E56.8Low65.1Low144 Ų144100.1 Ų100.167%0.67356%0.561SS**  trans-51143.2162.4-78.2-178.5162.500106.2C759 D763C759-E761 PolarHBondContact O-N 3.37Å; E761-D763 PolarHBondContact O-N 2.91Å
762E55.2Low64.2Low148 Ų148100.8 Ų100.869%0.69257%0.572SS**  trans-64.579.3172.7-71.7-167.2166.100107.2K499 P760 S764K499-E762 IonicContact NZ-OE1 2.85Å; P760-E762 PolarHBondContact O-N 3.01Å; E762-S764 PolarHBondContact O-N 3Å; E762-S764 VanDerWaalsContact O-N 3.13Å
763D41.8Very low63.1Low134 Ų134100.3 Ų100.372%0.71757%0.572SS**  trans-50.2123.2166.1-84.4-32.6000104.4E761 K765E761-D763 PolarHBondContact O-N 2.91Å; D763-K765 PolarHBondContact O-N 3.11Å; D763-K765 VanDerWaalsContact O-N 3.14Å
764S43.5Very low62.1Low93 Ų93100.1 Ų100.165%0.6557%0.573SS**  trans-21.3116.2176.748.80000110.6E762 E766E762-S764 PolarHBondContact O-N 3Å; E762-S764 VanDerWaalsContact O-N 3.13Å; S764-E766 PolarHBondContact O-N 2.91Å
765K51.8Low61.5Low157 Ų157102.8 Ų102.868%0.68359%0.587SS**  trans-47.187.1175-66.2-177.3178.1-172.70109.5D763 A767D763-K765 PolarHBondContact O-N 3.11Å; D763-K765 VanDerWaalsContact O-N 3.14Å; K765-A767 PolarHBondContact O-N 3.42Å
766E49.4Very low61.4Low167 Ų16795.6 Ų95.678%0.7857%0.566SS**  trans-64.1130.7169.4-75-169.7162.500105S764 S768S764-E766 PolarHBondContact O-N 2.91Å; E766-S768 PolarHBondContact O-N 3.18Å
767A52.1Low62.4Low98 Ų9894.6 Ų94.681%0.8156%0.556SS**  trans-54.7108.8-177.900000108.6K765K765-A767 PolarHBondContact O-N 3.42Å
768S58.2Low63.7Low105 Ų10590.8 Ų90.873%0.73454%0.535SS*.  trans-64.9140-178.7-65.10000109.1E766E766-S768 PolarHBondContact O-N 3.18Å
769A60.7Low65Low97 Ų9795 Ų9580%0.80254%0.541SS*.  trans-57.6142175.600000110.2G771A769-G771 PolarHBondContact O-N 3.44Å
770L66.2Low65.9Low108 Ų10898.2 Ų98.257%0.56556%0.555SS**  trans-59.8111.4179.4-85.394.8000110.5L614 I775L614-L770 HydrophobicContact CD1-CD2 3.87Å; L614-L770 HydrophobicContact CD2-CD2 4.32Å; L770-I775 HydrophobicContact CB-CD1 4.14Å; L770-I775 HydrophobicContact CD2-CD1 3.77Å; L770-I775 HydrophobicContact CD2-CG1 4.17Å
771G66.7Low67Low33 Ų3396.8 Ų96.834%0.3454%0.544SS..  trans-73.3157.8175.700000113.1A769 E773 N774A769-G771 PolarHBondContact O-N 3.44Å; G771-E773 PolarHBondContact O-N 2.94Å; G771-N774 PolarHBondContact O-N 3.48Å
772V71Confident68.6Low119 Ų11995 Ų9572%0.72154%0.538SS*.Hα-helixtrans-58.9-26.2174.31790000111.4N774 I775 G776V772-N774 VanDerWaalsContact C-N 3.32Å; V772-N774 PolarHBondContact O-N 3.27Å; V772-I775 PolarHBondContact O-N 2.95Å; V772-G776 VanDerWaalsContact O-CA 3.24Å; V772-G776 WeakPolarHBondContact O-CA 3.49Å; V772-G776 PolarHBondContact O-N 2.9Å
773E68.5Low70.3Confident124 Ų12490.5 Ų90.558%0.57953%0.526SS*.Hα-helixtrans-63-35.6178.9-60-174.8179.200112.9G771G771-E773 PolarHBondContact O-N 2.94Å
774N70.8Confident72.8Confident30 Ų3086.8 Ų86.816%0.1652%0.515CS..Hα-helixtrans-78.9-28.9179.4-73.8-23.2000113.3P505 L614 G771 V772P505-N774 VanDerWaalsContact CB-OD1 3.29Å; P505-N774 WeakPolarHBondContact CB-OD1 3.38Å; P505-N774 WeakPolarHBondContact CG-OD1 3.29Å; L614-N774 HydrophobicContact CD2-CB 4.3Å; G771-N774 PolarHBondContact O-N 3.48Å; V772-N774 VanDerWaalsContact C-N 3.32Å; V772-N774 PolarHBondContact O-N 3.27Å
775I77.5Confident75.1Confident59 Ų5984.3 Ų84.330%0.30350%0.504SS..Hα-helixtrans-104.4-14-174.8-60.1178.5000111.9L770 V772 G777 I778 F779L770-I775 HydrophobicContact CB-CD1 4.14Å; L770-I775 HydrophobicContact CD2-CD1 3.77Å; L770-I775 HydrophobicContact CD2-CG1 4.17Å; V772-I775 PolarHBondContact O-N 2.95Å; I775-G777 VanDerWaalsContact C-N 3.27Å; I775-G777 PolarHBondContact O-N 3.47Å; I775-G777 VanDerWaalsContact O-N 3.13Å; I775-I778 HydrophobicContact CG2-CD1 4.25Å; I775-I778 WeakPolarHBondContact O-CB 3.26Å; I775-I778 PolarHBondContact O-N 3.45Å; I775-F779 HydrophobicContact CG2-CD2 4.31Å; I775-F779 HydrophobicContact CG2-CE2 3.79Å
776G80.2Confident77.1Confident19 Ų1981.9 Ų81.920%0.19650%0.497CS..Hα-helixtrans-55.1-37.6-171.700000114.1V772 I778 F779 I780V772-G776 VanDerWaalsContact O-CA 3.24Å; V772-G776 WeakPolarHBondContact O-CA 3.49Å; V772-G776 PolarHBondContact O-N 2.9Å; G776-I778 VanDerWaalsContact C-N 3.25Å; G776-I778 PolarHBondContact O-N 3.46Å; G776-F779 PolarHBondContact O-N 2.73Å; G776-I780 PolarHBondContact O-N 3.12Å
777G84.3Confident79.3Confident0 Ų077.9 Ų77.90%048%0.484CS..Hα-helixtrans-60.4-31.3176.600000114.4V507 I775 F779 I780 V781V507-G777 WeakPolarHBondContact O-CA 3.34Å; V507-G777 PolarHBondContact O-N 3.01Å; I775-G777 VanDerWaalsContact C-N 3.27Å; I775-G777 PolarHBondContact O-N 3.47Å; I775-G777 VanDerWaalsContact O-N 3.13Å; G777-F779 VanDerWaalsContact C-N 3.35Å; G777-F779 PolarHBondContact O-N 3.44Å; G777-I780 PolarHBondContact O-N 3.14Å; G777-V781 WeakPolarHBondContact O-CG2 3.48Å; G777-V781 PolarHBondContact O-N 3.41Å; G777-V781 VanDerWaalsContact O-N 3.07Å
778I87.4Confident81.3Confident88 Ų8878.5 Ų78.545%0.45147%0.474SS..Hα-helixtrans-66.5-40.2179.5-55.8-178.2000110.3F510 I775 G776 I780 V781 L782F510-I778 HydrophobicContact CD1-CG1 4.02Å; F510-I778 HydrophobicContact CE1-CG1 4.36Å; F510-I778 HydrophobicContact CG-CG1 4.19Å; I775-I778 HydrophobicContact CG2-CD1 4.25Å; I775-I778 WeakPolarHBondContact O-CB 3.26Å; I775-I778 PolarHBondContact O-N 3.45Å; G776-I778 VanDerWaalsContact C-N 3.25Å; G776-I778 PolarHBondContact O-N 3.46Å; I778-I780 VanDerWaalsContact C-N 3.34Å; I778-I780 PolarHBondContact O-N 3.1Å; I778-V781 PolarHBondContact O-N 3.02Å; I778-L782 PolarHBondContact O-N 2.77Å
779F87.1Confident82.9Confident132 Ų13276.6 Ų76.658%0.57946%0.46SS*.Hα-helixtrans-66.7-35.3176.5-68.4-70.3000112.5I775 G776 G777 L782 A783I775-F779 HydrophobicContact CG2-CD2 4.31Å; I775-F779 HydrophobicContact CG2-CE2 3.79Å; G776-F779 PolarHBondContact O-N 2.73Å; G777-F779 VanDerWaalsContact C-N 3.35Å; G777-F779 PolarHBondContact O-N 3.44Å; F779-L782 PolarHBondContact O-N 3.23Å; F779-A783 WeakPolarHBondContact O-CB 3.42Å; F779-A783 PolarHBondContact O-N 3.46Å
780I88.5Confident84.5Confident96 Ų9676.1 Ų76.149%0.49245%0.447SS..Hα-helixtrans-65.5-45.3176.2-63170.3000110.4V507 G776 G777 I778 L782 A783 A784V507-I780 HydrophobicContact CG1-CD1 3.6Å; G776-I780 PolarHBondContact O-N 3.12Å; G777-I780 PolarHBondContact O-N 3.14Å; I778-I780 VanDerWaalsContact C-N 3.34Å; I778-I780 PolarHBondContact O-N 3.1Å; I780-L782 VanDerWaalsContact C-N 3.33Å; I780-L782 PolarHBondContact O-N 2.72Å; I780-A783 PolarHBondContact O-N 3.35Å; I780-A784 WeakPolarHBondContact O-CB 3.44Å; I780-A784 PolarHBondContact O-N 3.34Å
781V89.8Confident85.8Confident82 Ų8277.4 Ų77.450%0.49745%0.448SS..Hα-helixtrans-61.9-41.7177.1173.90000111.1F510 G777 I778 A784 G785F510-V781 HydrophobicContact CZ-CG2 4.4Å; G777-V781 WeakPolarHBondContact O-CG2 3.48Å; G777-V781 PolarHBondContact O-N 3.41Å; G777-V781 VanDerWaalsContact O-N 3.07Å; I778-V781 PolarHBondContact O-N 3.02Å; V781-A784 PolarHBondContact O-N 2.93Å; V781-G785 PolarHBondContact O-N 3.3Å
782L90.3Very high87Confident106 Ų10679.5 Ų79.556%0.55545%0.454SS*.Hα-helixtrans-60.1-48.8175.7178.964.4000112I778 F779 I780 A784 G785 L786I778-L782 PolarHBondContact O-N 2.77Å; F779-L782 PolarHBondContact O-N 3.23Å; I780-L782 VanDerWaalsContact C-N 3.33Å; I780-L782 PolarHBondContact O-N 2.72Å; L782-A784 PolarHBondContact O-N 3.09Å; L782-G785 PolarHBondContact O-N 3.2Å; L782-L786 HydrophobicContact CG-CD1 4.49Å; L782-L786 WeakPolarHBondContact O-CG 3.47Å; L782-L786 PolarHBondContact O-N 3.03Å
783A91.3Very high88.1Confident53 Ų5376.4 Ų76.444%0.43844%0.441SS..Hα-helixtrans-62-43.2178.900000111.9F779 I780 G785 L786 V787F779-A783 WeakPolarHBondContact O-CB 3.42Å; F779-A783 PolarHBondContact O-N 3.46Å; I780-A783 PolarHBondContact O-N 3.35Å; A783-G785 VanDerWaalsContact C-N 3.34Å; A783-G785 PolarHBondContact O-N 2.76Å; A783-L786 PolarHBondContact O-N 2.98Å; A783-V787 WeakPolarHBondContact O-CG2 3.4Å; A783-V787 PolarHBondContact O-N 2.79Å; A783-V787 VanDerWaalsContact O-N 3.09Å
784A92.8Very high89.2Confident57 Ų5774.6 Ų74.647%0.47143%0.434SS..Hα-helixtrans-61.4-41.917600000112I780 V781 L782 V787 L788I780-A784 WeakPolarHBondContact O-CB 3.44Å; I780-A784 PolarHBondContact O-N 3.34Å; V781-A784 PolarHBondContact O-N 2.93Å; L782-A784 PolarHBondContact O-N 3.09Å; A784-V787 PolarHBondContact O-N 3.48Å; A784-L788 WeakPolarHBondContact O-CB 3.34Å; A784-L788 PolarHBondContact O-N 2.87Å
785G92.9Very high90.1Very high41 Ų4174.9 Ų74.942%0.42345%0.445SS..Hα-helixtrans-62.5-41.5176.800000113.4V781 L782 A783 L788 S789V781-G785 PolarHBondContact O-N 3.3Å; L782-G785 PolarHBondContact O-N 3.2Å; A783-G785 VanDerWaalsContact C-N 3.34Å; A783-G785 PolarHBondContact O-N 2.76Å; G785-L788 PolarHBondContact O-N 2.84Å; G785-S789 PolarHBondContact O-N 3.03Å
786L94.1Very high90.8Very high105 Ų10578.2 Ų78.255%0.5546%0.459SS..Hα-helixtrans-65.6-42176.6-71172.6000112.4L782 A783 S789 V790L782-L786 HydrophobicContact CG-CD1 4.49Å; L782-L786 WeakPolarHBondContact O-CG 3.47Å; L782-L786 PolarHBondContact O-N 3.03Å; A783-L786 PolarHBondContact O-N 2.98Å; L786-S789 PolarHBondContact O-N 3.34Å; L786-S789 PolarHBondContact O-OG 3.22Å; L786-V790 WeakPolarHBondContact O-CG2 3.44Å; L786-V790 PolarHBondContact O-N 3.35Å
787V94Very high91.3Very high83 Ų8384.6 Ų84.650%0.50348%0.482SS..Hα-helixtrans-65.6-43.6177.2171.50000110.5A783 A784 S789 V790 F791A783-V787 WeakPolarHBondContact O-CG2 3.4Å; A783-V787 PolarHBondContact O-N 2.79Å; A783-V787 VanDerWaalsContact O-N 3.09Å; A784-V787 PolarHBondContact O-N 3.48Å; V787-S789 VanDerWaalsContact C-N 3.34Å; V787-S789 PolarHBondContact O-N 2.81Å; V787-V790 PolarHBondContact O-N 3.18Å; V787-F791 HydrophobicContact CG1-CD2 3.75Å; V787-F791 HydrophobicContact CG1-CE2 3.45Å; V787-F791 VanDerWaalsContact CG1-CE2 3.45Å; V787-F791 WeakPolarHBondContact O-CD2 3.12Å; V787-F791 PolarHBondContact O-N 3.3Å; V787-F791 VanDerWaalsContact O-N 3.15Å
788L93.9Very high91.5Very high112 Ų11288.6 Ų88.659%0.58650%0.502SS*.Hα-helixtrans-61.5-41177.7-174.965.9000111.9A784 G785 V790 F791 V792A784-L788 WeakPolarHBondContact O-CB 3.34Å; A784-L788 PolarHBondContact O-N 2.87Å; G785-L788 PolarHBondContact O-N 2.84Å; L788-V790 VanDerWaalsContact C-N 3.34Å; L788-V790 PolarHBondContact O-N 2.98Å; L788-F791 PolarHBondContact O-N 2.91Å; L788-V792 WeakPolarHBondContact O-CG2 3.07Å; L788-V792 PolarHBondContact O-N 3.42Å
789S93.5Very high91.5Very high65 Ų6592.5 Ų92.546%0.45551%0.513SS..Hα-helixtrans-64-38.9179.477.50000112.3G785 L786 V787 V792 A793G785-S789 PolarHBondContact O-N 3.03Å; L786-S789 PolarHBondContact O-N 3.34Å; L786-S789 PolarHBondContact O-OG 3.22Å; V787-S789 VanDerWaalsContact C-N 3.34Å; V787-S789 PolarHBondContact O-N 2.81Å; S789-V792 PolarHBondContact O-N 3.24Å; S789-A793 WeakPolarHBondContact O-CB 3.18Å; S789-A793 PolarHBondContact O-N 3.09Å
790V93.9Very high91.5Very high86 Ų8693 Ų9352%0.52152%0.515SS..Hα-helixtrans-62.4-43.6174.4173.50000110.8L786 V787 L788 A793 I794L786-V790 WeakPolarHBondContact O-CG2 3.44Å; L786-V790 PolarHBondContact O-N 3.35Å; V787-V790 PolarHBondContact O-N 3.18Å; L788-V790 VanDerWaalsContact C-N 3.34Å; L788-V790 PolarHBondContact O-N 2.98Å; V790-A793 PolarHBondContact O-N 3.37Å; V790-I794 HydrophobicContact CG1-CD1 3.89Å; V790-I794 VanDerWaalsContact O-CG1 3.27Å; V790-I794 WeakPolarHBondContact O-CG1 3.44Å; V790-I794 PolarHBondContact O-N 3.17Å
791F92.4Very high91.2Very high136 Ų13691.1 Ų91.160%0.59651%0.51SS*.Hα-helixtrans-63.8-41.9176.6-79.7-63.5000112.8V787 L788 I794 G795V787-F791 HydrophobicContact CG1-CD2 3.75Å; V787-F791 HydrophobicContact CG1-CE2 3.45Å; V787-F791 VanDerWaalsContact CG1-CE2 3.45Å; V787-F791 WeakPolarHBondContact O-CD2 3.12Å; V787-F791 PolarHBondContact O-N 3.3Å; V787-F791 VanDerWaalsContact O-N 3.15Å; L788-F791 PolarHBondContact O-N 2.91Å; F791-I794 PolarHBondContact O-N 3.11Å; F791-G795 PolarHBondContact O-N 3.06Å
792V92.9Very high90.7Very high76 Ų7695.4 Ų95.446%0.46152%0.517SS..Hα-helixtrans-63.2-44.7176173.60000110.6L788 S789 I794 G795 E796L788-V792 WeakPolarHBondContact O-CG2 3.07Å; L788-V792 PolarHBondContact O-N 3.42Å; S789-V792 PolarHBondContact O-N 3.24Å; V792-I794 VanDerWaalsContact C-N 3.35Å; V792-I794 PolarHBondContact O-N 2.9Å; V792-G795 CarbonylContact O-C 3.53Å; V792-G795 WeakPolarHBondContact O-CA 3.4Å; V792-G795 PolarHBondContact O-N 3.5Å; V792-G795 VanDerWaalsContact O-N 3.07Å; V792-E796 HydrophobicContact CG1-CG 4.39Å; V792-E796 WeakPolarHBondContact O-CG 3.1Å; V792-E796 PolarHBondContact O-N 2.6Å
793A92.9Very high90Very high54 Ų5495.8 Ų95.845%0.44651%0.514SS..Hα-helixtrans-61.4-41177.700000112.5S789 V790 G795 E796 F797S789-A793 WeakPolarHBondContact O-CB 3.18Å; S789-A793 PolarHBondContact O-N 3.09Å; V790-A793 PolarHBondContact O-N 3.37Å; A793-G795 VanDerWaalsContact C-N 3.33Å; A793-E796 PolarHBondContact O-N 3.19Å; A793-F797 WeakPolarHBondContact O-CB 3.36Å; A793-F797 PolarHBondContact O-N 3.01Å
794I91.9Very high89.1Confident86 Ų8697.3 Ų97.344%0.44152%0.515SS..Hα-helixtrans-62.6-43.3173.1-68165.5000110.2V790 F791 V792 F797 I798V790-I794 HydrophobicContact CG1-CD1 3.89Å; V790-I794 VanDerWaalsContact O-CG1 3.27Å; V790-I794 WeakPolarHBondContact O-CG1 3.44Å; V790-I794 PolarHBondContact O-N 3.17Å; F791-I794 PolarHBondContact O-N 3.11Å; V792-I794 VanDerWaalsContact C-N 3.35Å; V792-I794 PolarHBondContact O-N 2.9Å; I794-F797 PolarHBondContact O-N 3.1Å; I794-I798 HydrophobicContact CG2-CD1 3.8Å; I794-I798 HydrophobicContact CG2-CG1 4.48Å; I794-I798 VanDerWaalsContact O-CG1 3.27Å; I794-I798 WeakPolarHBondContact O-CG1 3.49Å; I794-I798 PolarHBondContact O-N 3.05Å
795G90.6Very high87.7Confident37 Ų3799.1 Ų99.138%0.38152%0.516SS..Hα-helixtrans-60.2-46.3176.100000113F791 V792 A793 I798 Y799F791-G795 PolarHBondContact O-N 3.06Å; V792-G795 CarbonylContact O-C 3.53Å; V792-G795 WeakPolarHBondContact O-CA 3.4Å; V792-G795 PolarHBondContact O-N 3.5Å; V792-G795 VanDerWaalsContact O-N 3.07Å; A793-G795 VanDerWaalsContact C-N 3.33Å; G795-I798 PolarHBondContact O-N 3.46Å; G795-Y799 WeakPolarHBondContact O-CB 3.5Å; G795-Y799 PolarHBondContact O-N 2.84Å
796E91.9Very high86.1Confident129 Ų129101.9 Ų101.960%0.60352%0.521SS*.Hα-helixtrans-62.1-42.7175.8-73.6-177.8175.900111.9V792 A793 Y799 K800V792-E796 HydrophobicContact CG1-CG 4.39Å; V792-E796 WeakPolarHBondContact O-CG 3.1Å; V792-E796 PolarHBondContact O-N 2.6Å; A793-E796 PolarHBondContact O-N 3.19Å; E796-Y799 PolarHBondContact O-N 3.05Å; E796-K800 VanDerWaalsContact O-CB 3.26Å; E796-K800 WeakPolarHBondContact O-CB 3.3Å; E796-K800 PolarHBondContact O-N 2.83Å
797F90.6Very high84.5Confident153 Ų153101.4 Ų101.467%0.67152%0.518SS*.Hα-helixtrans-60.8-46.4176.6-177.6-97.9000111.4A793 I794 S801A793-F797 WeakPolarHBondContact O-CB 3.36Å; A793-F797 PolarHBondContact O-N 3.01Å; I794-F797 PolarHBondContact O-N 3.1Å; F797-S801 WeakPolarHBondContact O-CB 3.26Å; F797-S801 PolarHBondContact O-N 2.85Å
798I88.5Confident82.7Confident83 Ų83103.5 Ų103.543%0.42652%0.522SS..Hα-helixtrans-63.8-45.2177-67.2166.9000110.9I794 G795 S801 R802I794-I798 HydrophobicContact CG2-CD1 3.8Å; I794-I798 HydrophobicContact CG2-CG1 4.48Å; I794-I798 VanDerWaalsContact O-CG1 3.27Å; I794-I798 WeakPolarHBondContact O-CG1 3.49Å; I794-I798 PolarHBondContact O-N 3.05Å; G795-I798 PolarHBondContact O-N 3.46Å; I798-S801 PolarHBondContact O-N 3.33Å; I798-R802 PolarHBondContact O-N 3.02Å
799Y88.1Confident80.8Confident171 Ų171105.3 Ų105.367%0.67153%0.528SS*.Hα-helixtrans-62.8-46.2-179.8179.6-103.1000111.9G795 E796 R802 K803G795-Y799 WeakPolarHBondContact O-CB 3.5Å; G795-Y799 PolarHBondContact O-N 2.84Å; E796-Y799 PolarHBondContact O-N 3.05Å; Y799-R802 PolarHBondContact O-N 3.43Å; Y799-K803 PolarHBondContact O-N 3.41Å
800K87Confident78.8Confident143 Ų143106.9 Ų106.962%0.62253%0.534SS*.Hα-helixtrans-69.4-36.7179.1-166.5169.8-177176.30112E796 K803 N804E796-K800 VanDerWaalsContact O-CB 3.26Å; E796-K800 WeakPolarHBondContact O-CB 3.3Å; E796-K800 PolarHBondContact O-N 2.83Å; K800-K803 PolarHBondContact O-N 2.98Å; K800-N804 WeakPolarHBondContact O-CB 3.3Å; K800-N804 PolarHBondContact O-N 3.31Å
801S81.5Confident76.4Confident55 Ų55105.7 Ų105.739%0.38553%0.53SS..Hα-helixtrans-62.3-44173.9176.50000111.8F797 I798 N804 L805F797-S801 WeakPolarHBondContact O-CB 3.26Å; F797-S801 PolarHBondContact O-N 2.85Å; I798-S801 PolarHBondContact O-N 3.33Å; S801-N804 PolarHBondContact O-N 3.05Å; S801-L805 WeakPolarHBondContact O-CG 3.33Å; S801-L805 PolarHBondContact O-N 3.48Å
802R79.1Confident74.3Confident172 Ų172103.6 Ų103.665%0.64953%0.528SS*.Hα-helixtrans-64-45174.6-75.3-175.4178.8-173-0.4112.8I798 Y799 N804 L805 D806I798-R802 PolarHBondContact O-N 3.02Å; Y799-R802 PolarHBondContact O-N 3.43Å; R802-N804 VanDerWaalsContact C-N 3.28Å; R802-N804 PolarHBondContact O-N 3.03Å; R802-L805 WeakPolarHBondContact O-CB 3.23Å; R802-L805 PolarHBondContact O-N 3.35Å; R802-D806 PolarHBondContact O-N 3.04Å
803K77.1Confident72.2Confident115 Ų115101.6 Ų101.650%0.552%0.523SS..Hα-helixtrans-61.9-36.4177.5-170.4-178.9178.5-177.20112.4Y799 K800 D806 I807Y799-K803 PolarHBondContact O-N 3.41Å; K800-K803 PolarHBondContact O-N 2.98Å; K803-D806 PolarHBondContact O-N 3.15Å; K803-I807 HydrophobicContact CG-CD1 4.16Å; K803-I807 WeakPolarHBondContact O-CD1 3.37Å; K803-I807 VanDerWaalsContact O-CG1 3.27Å; K803-I807 WeakPolarHBondContact O-CG1 3.36Å; K803-I807 PolarHBondContact O-N 2.72Å; K803-I807 VanDerWaalsContact O-N 3.09Å
804N71.5Confident69.7Low85 Ų85106.1 Ų106.146%0.45554%0.535SS..Hα-helixtrans-70.7-35.9176.2-76.90.4000112.2K800 S801 R802 I807 E808K800-N804 WeakPolarHBondContact O-CB 3.3Å; K800-N804 PolarHBondContact O-N 3.31Å; S801-N804 PolarHBondContact O-N 3.05Å; R802-N804 VanDerWaalsContact C-N 3.28Å; R802-N804 PolarHBondContact O-N 3.03Å; N804-I807 PolarHBondContact O-N 3.31Å; N804-E808 PolarHBondContact O-N 3.34Å
805L62.3Low67.2Low94 Ų94106.5 Ų106.549%0.49254%0.544SS..Hα-helixtrans-61.6-43.1171.6-72.2164.9000111.3S801 R802 I807 E808 E809S801-L805 WeakPolarHBondContact O-CG 3.33Å; S801-L805 PolarHBondContact O-N 3.48Å; R802-L805 WeakPolarHBondContact O-CB 3.23Å; R802-L805 PolarHBondContact O-N 3.35Å; L805-I807 VanDerWaalsContact C-N 3.32Å; L805-I807 PolarHBondContact O-N 3.2Å; L805-E808 PolarHBondContact O-N 3.21Å; L805-E809 PolarHBondContact O-N 3.11Å
806D60.9Low65.1Low100 Ų100112 Ų11254%0.53556%0.56SS.*Hα-helixtrans-65.5-32.2176.4-64.7-23.4000112.6R802 K803 V810R802-D806 PolarHBondContact O-N 3.04Å; K803-D806 PolarHBondContact O-N 3.15Å; D806-V810 WeakPolarHBondContact O-CG2 3.12Å; D806-V810 PolarHBondContact O-N 2.96Å
807I60.1Low62.7Low94 Ų94115.4 Ų115.448%0.48257%0.567SS.*Hα-helixtrans-76.2-36.8176.4-68.1165.5000111.3K803 N804 L805 V810 S811K803-I807 HydrophobicContact CG-CD1 4.16Å; K803-I807 WeakPolarHBondContact O-CD1 3.37Å; K803-I807 VanDerWaalsContact O-CG1 3.27Å; K803-I807 WeakPolarHBondContact O-CG1 3.36Å; K803-I807 PolarHBondContact O-N 2.72Å; K803-I807 VanDerWaalsContact O-N 3.09Å; N804-I807 PolarHBondContact O-N 3.31Å; L805-I807 VanDerWaalsContact C-N 3.32Å; L805-I807 PolarHBondContact O-N 3.2Å; I807-V810 PolarHBondContact O-N 3.37Å; I807-S811 PolarHBondContact O-N 3.49Å
808E55.6Low60.5Low127 Ų127116.3 Ų116.359%0.59357%0.573SS**Hα-helixtrans-64.2-39.4173.5-79.9-176.7165.600111.2N804 L805 V810 S811 V812N804-E808 PolarHBondContact O-N 3.34Å; L805-E808 PolarHBondContact O-N 3.21Å; E808-V810 PolarHBondContact O-N 3.14Å; E808-S811 PolarHBondContact O-N 3.31Å; E808-S811 PolarHBondContact O-OG 3.16Å; E808-V812 WeakPolarHBondContact O-CG2 3.48Å; E808-V812 PolarHBondContact O-N 3.18Å; E808-V812 VanDerWaalsContact O-N 3.11Å
809E54.3Low58.4Low150 Ų150119.6 Ų119.670%0.70159%0.592SS**Hα-helixtrans-63.2-35.4173.9-75-171.3172.700113.2L805 G813L805-E809 PolarHBondContact O-N 3.11Å; E809-G813 PolarHBondContact O-N 3.28Å
810V51.4Low56.4Low98 Ų98119.7 Ų119.759%0.59460%0.596SS**Hα-helixtrans-74-33.9175.3175.80000112.3D806 I807 E808 G813 Q814D806-V810 WeakPolarHBondContact O-CG2 3.12Å; D806-V810 PolarHBondContact O-N 2.96Å; I807-V810 PolarHBondContact O-N 3.37Å; E808-V810 PolarHBondContact O-N 3.14Å; V810-G813 PolarHBondContact O-N 3.19Å; V810-Q814 PolarHBondContact O-N 3.04Å
811S44.1Very low54.2Low61 Ų61126.7 Ų126.743%0.42762%0.62SS.*Hα-helixtrans-70.3-32.7177.3770000113.1I807 E808 Q814 C815I807-S811 PolarHBondContact O-N 3.49Å; E808-S811 PolarHBondContact O-N 3.31Å; E808-S811 PolarHBondContact O-OG 3.16Å; S811-Q814 PolarHBondContact O-N 3.35Å; S811-C815 PolarHBondContact O-N 3.3Å
812V48.7Very low52.8Low93 Ų93130.3 Ų130.356%0.56463%0.632SS**Hα-helixtrans-69.2-37.4172.6177.10000110.7E808 Q814 C815 E816E808-V812 WeakPolarHBondContact O-CG2 3.48Å; E808-V812 PolarHBondContact O-N 3.18Å; E808-V812 VanDerWaalsContact O-N 3.11Å; V812-Q814 VanDerWaalsContact C-N 3.31Å; V812-Q814 PolarHBondContact O-N 3.46Å; V812-C815 PolarHBondContact O-N 3.16Å; V812-E816 PolarHBondContact O-N 3.44Å
813G48Very low51.4Low33 Ų33128.1 Ų128.134%0.3463%0.631SS.*Hα-helixtrans-62.3-31.2173.700000114.3E809 V810 W817E809-G813 PolarHBondContact O-N 3.28Å; V810-G813 PolarHBondContact O-N 3.19Å; G813-W817 VanDerWaalsContact O-CD1 3.3Å
814Q40.2Very low50Low149 Ų149128.8 Ų128.870%0.69664%0.638SS**Hα-helixtrans-82.3-23.1179-115169.3-15.800114V810 S811 V812V810-Q814 PolarHBondContact O-N 3.04Å; S811-Q814 PolarHBondContact O-N 3.35Å; V812-Q814 VanDerWaalsContact C-N 3.31Å; V812-Q814 PolarHBondContact O-N 3.46Å
815C39.9Very low48.7Very low95 Ų95131.4 Ų131.464%0.64265%0.649SS**Hα-helixtrans-76.9-24.2173.7-72.40000113.2S811 V812 W817S811-C815 PolarHBondContact O-N 3.3Å; V812-C815 PolarHBondContact O-N 3.16Å; C815-W817 VanDerWaalsContact C-N 3.35Å
816E45.5Very low47.9Very low151 Ų151133.8 Ų133.871%0.70666%0.659SS**Hα-helixtrans-73.7-23.2174.5-77.9-166.7148.200113.6V812V812-E816 PolarHBondContact O-N 3.44Å
817W43.2Very low47Very low201 Ų201136 Ų13676%0.76167%0.667SS**THydrogen-bonded Turntrans-78.6-14.2179.3-83.392.6000114.8G813 C815G813-W817 VanDerWaalsContact O-CD1 3.3Å; C815-W817 VanDerWaalsContact C-N 3.35Å
818H44Very low46.1Very low172 Ų172139 Ų13980%0.79668%0.681SS**THydrogen-bonded Turntrans-94.6-5.5177.7-113.3-25.1000115
819N44Very low45.3Very low153 Ų153139.9 Ų139.982%0.81869%0.687SS**SBendtrans-104.47.8176.8-91.1-25.8000114.4
820K45.3Very low44.6Very low173 Ų173139.1 Ų139.175%0.75269%0.686SS**  trans-135.477.4168-93-177.8175.3172.30109
821Y40.8Very low44Very low290 Ų290142.8 Ų142.8100%1.13769%0.694SS**  trans-175.90136.2-89-62.7000109.1

Retrieved 821 of 821 residues in 824.7 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).