A0A077ZBT2_TRITR Loading...

Propionyl-CoA carboxylase alpha chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZBT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,163 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
1M23.6Very low33.5Very low140 Ų14065.1 Ų65.169%0.6927%0.274SS*.  0109.10-75.4156178.100106.8F3 K25 F27M1-F3 HydrophobicContact CB-CD2 4.21Å; M1-F3 HydrophobicContact CB-CE2 4.02Å; M1-F3 PolarHBondContact O-N 3.05Å; M1-F3 HydrophobicContact SD-CE2 4.43Å; M1-K25 HydrophobicContact CE-CD 4.15Å; M1-F27 HydrophobicContact CE-CE2 3.39Å; M1-F27 HydrophobicContact CE-CZ 3.4Å; M1-F27 VanDerWaalsContact CE-CZ 3.4Å; M1-F27 HydrophobicContact SD-CE1 4.35Å; M1-F27 HydrophobicContact SD-CE2 4Å; M1-F27 HydrophobicContact SD-CZ 3.42Å; M1-F27 WeakPolarHBondContact SD-CZ 3.46Å
2R23.8Very low33.8Very low237 Ų23759.7 Ų59.789%0.89425%0.251SS*.  trans-84.699.3166.6-81.2-176.2176.8175.2-0.8105.9R4R2-R4 PolarHBondContact O-N 3Å; R2-R4 VanDerWaalsContact O-N 3.12Å
3F31.9Very low34.8Very low56 Ų5655.8 Ų55.825%0.24624%0.237CC..  trans-68.3106.5173.6-83-87.6000108.1M1 W5 V15 F27 V308 I312M1-F3 HydrophobicContact CB-CD2 4.21Å; M1-F3 HydrophobicContact CB-CE2 4.02Å; M1-F3 PolarHBondContact O-N 3.05Å; M1-F3 HydrophobicContact SD-CE2 4.43Å; F3-W5 PolarHBondContact O-N 2.9Å; F3-V15 HydrophobicContact CE1-CG1 4.33Å; F3-F27 HydrophobicContact CE1-CD1 4.4Å; F3-F27 HydrophobicContact CE1-CE1 4.34Å; F3-F27 HydrophobicContact CE2-CE1 4.5Å; F3-F27 HydrophobicContact CZ-CD1 4.06Å; F3-F27 AromaticContact CZ-CE1 3.56Å; F3-F27 HydrophobicContact CZ-CE1 3.56Å; F3-F27 HydrophobicContact CZ-CZ 4.25Å; F3-V308 HydrophobicContact CD2-CG1 4.46Å; F3-I312 HydrophobicContact CE2-CD1 4.31Å
4R33Very low35.9Very low163 Ų16351.8 Ų51.862%0.61522%0.22SC*.  trans-77.4104.5162.9-70.2-172-177-170.81.1106.4R2R2-R4 PolarHBondContact O-N 3Å; R2-R4 VanDerWaalsContact O-N 3.12Å
5W40.8Very low37Very low19 Ų1950.3 Ų50.37%0.07222%0.217CC..  trans-78.3138.1-173.9-111.689.9000111.8F3 P7 H78 Y81 D370F3-W5 PolarHBondContact O-N 2.9Å; W5-P7 WeakPolarHBondContact O-CD 3.46Å; W5-H78 AromaticContact CZ2-CD2 3.84Å; W5-H78 AromaticContact CZ2-CE1 3.86Å; W5-H78 AromaticContact CZ2-NE2 3.69Å; W5-Y81 HydrophobicContact CD2-CE1 4.29Å; W5-Y81 HydrophobicContact CE3-CD1 4.36Å; W5-Y81 AromaticContact CE3-CE1 3.56Å; W5-Y81 HydrophobicContact CE3-CE1 3.56Å; W5-Y81 HydrophobicContact CZ3-CD1 4.37Å; W5-Y81 AromaticContact CZ3-CE1 3.86Å; W5-Y81 HydrophobicContact CZ3-CE1 3.86Å; W5-D370 WeakPolarHBondContact O-CB 3.3Å
6C38.4Very low38Very low9 Ų947.2 Ų47.26%0.06120%0.204CC..  trans-71.1117.2174.9-171.60000109.5T8 S11 H40 Y81 G372C6-T8 PolarHBondContact O-N 3.01Å; C6-T8 PolarHBondContact SG-OG1 3.37Å; C6-T8 VanDerWaalsContact SG-OG1 3.4Å; C6-S11 PolarHBondContact SG-OG 3.47Å; C6-S11 VanDerWaalsContact SG-OG 3.39Å; C6-H40 HydrophobicContact CB-CB 4.15Å; C6-H40 PolarHBondContact SG-ND1 3.19Å; C6-H40 VanDerWaalsContact SG-ND1 3.44Å; C6-Y81 PolarHBondContact O-OH 3.34Å; C6-G372 WeakPolarHBondContact SG-CA 3.1Å
7P36.4Very low38.9Very low0 Ų045.3 Ų45.30%020%0.196CC..  trans-73.9-16.4-172.7-24.336.5000116W5 R9 Y81 D370 S371 L386 K389W5-P7 WeakPolarHBondContact O-CD 3.46Å; P7-R9 VanDerWaalsContact C-N 3.3Å; P7-R9 PolarHBondContact O-N 3.48Å; P7-Y81 WeakPolarHBondContact CA-OH 3.32Å; P7-Y81 PolarHBondContact O-OH 3.37Å; P7-D370 WeakPolarHBondContact CG-O 3.31Å; P7-S371 VanDerWaalsContact CG-CA 3.48Å; P7-L386 HydrophobicContact CB-CD2 3.72Å; P7-L386 HydrophobicContact CB-CG 3.69Å; P7-L386 VanDerWaalsContact O-CD2 3.29Å; P7-L386 WeakPolarHBondContact O-CD2 3.36Å; P7-K389 HydrophobicContact CB-CG 3.94Å; P7-K389 HydrophobicContact CG-CG 4.02Å
8T35.6Very low39.4Very low23 Ų2348.2 Ų48.214%0.14121%0.206CC..  trans-63.6102.3-177.834.80000106.7C6 Y10 S11C6-T8 PolarHBondContact O-N 3.01Å; C6-T8 PolarHBondContact SG-OG1 3.37Å; C6-T8 VanDerWaalsContact SG-OG1 3.4Å; T8-Y10 PolarHBondContact O-N 2.87Å; T8-S11 PolarHBondContact O-N 2.99Å; T8-S11 PolarHBondContact O-OG 3.17Å; T8-S11 WeakPolarHBondContact OG1-CB 3.38Å; T8-S11 PolarHBondContact OG1-OG 2.65Å
9R34.8Very low40Very low41 Ų4151.8 Ų51.816%0.15522%0.218CC..THydrogen-bonded Turntrans-49.5-10.2-179.4-137.2-177.6-167.3-1771113.3P7 Y81 V294 D384P7-R9 VanDerWaalsContact C-N 3.3Å; P7-R9 PolarHBondContact O-N 3.48Å; R9-Y81 HydrophobicContact CB-CE2 4.16Å; R9-Y81 HydrophobicContact CG-CD2 3.68Å; R9-Y81 HydrophobicContact CG-CE2 3.73Å; R9-V294 HydrophobicContact CG-CG2 4.31Å; R9-D384 HydrophobicContact CB-CB 4.33Å; R9-D384 WeakPolarHBondContact CB-OD2 3.13Å; R9-D384 WeakPolarHBondContact CD-OD2 3.4Å
10Y34.8Very low40.4Very low17 Ų1751.4 Ų51.47%0.06722%0.216CC..THydrogen-bonded Turntrans-142.312.1179.4-56.4-70.4000115.5T8 A12 T55 F83 Y383 D384 K639T8-Y10 PolarHBondContact O-N 2.87Å; Y10-A12 PolarHBondContact O-N 2.94Å; Y10-A12 VanDerWaalsContact O-N 3.1Å; Y10-T55 HydrophobicContact CD1-CG2 4.43Å; Y10-T55 HydrophobicContact CG-CG2 4.47Å; Y10-F83 AromaticContact CD1-CD2 3.93Å; Y10-F83 HydrophobicContact CD1-CD2 3.93Å; Y10-F83 AromaticContact CD1-CE2 3.93Å; Y10-F83 HydrophobicContact CD1-CE2 3.93Å; Y10-F83 HydrophobicContact CE1-CD1 4.45Å; Y10-F83 AromaticContact CE1-CD2 3.3Å; Y10-F83 HydrophobicContact CE1-CD2 3.3Å; Y10-F83 HydrophobicContact CE1-CE1 4.39Å; Y10-F83 AromaticContact CE1-CE2 3.23Å; Y10-F83 HydrophobicContact CE1-CE2 3.23Å; Y10-F83 AromaticContact CE1-CG 3.96Å; Y10-F83 HydrophobicContact CE1-CG 3.96Å; Y10-F83 AromaticContact CE1-CZ 3.84Å; Y10-F83 HydrophobicContact CE1-CZ 3.84Å; Y10-F83 AromaticContact CZ-CE2 3.75Å; Y10-F83 AromaticContact CZ-CZ 3.91Å; Y10-F83 WeakPolarHBondContact OH-CZ 3.42Å; Y10-Y383 HydrophobicContact CG-CD1 4.49Å; Y10-Y383 WeakPolarHBondContact O-CD1 3.41Å; Y10-Y383 WeakPolarHBondContact O-CE1 3.2Å; Y10-D384 HydrophobicContact CD2-CB 4.27Å; Y10-D384 HydrophobicContact CE2-CB 4.49Å; Y10-D384 VanDerWaalsContact CE2-OD2 3.26Å; Y10-D384 WeakPolarHBondContact CE2-OD2 3.3Å; Y10-K639 PolarHBondContact OH-NZ 2.65Å
11S35.1Very low40.5Very low11 Ų1155.3 Ų55.38%0.07724%0.239CC..SBendtrans-62.1123.8155.559.70000104.5C6 T8 S13C6-S11 PolarHBondContact SG-OG 3.47Å; C6-S11 VanDerWaalsContact SG-OG 3.39Å; T8-S11 PolarHBondContact O-N 2.99Å; T8-S11 PolarHBondContact O-OG 3.17Å; T8-S11 WeakPolarHBondContact OG1-CB 3.38Å; T8-S11 PolarHBondContact OG1-OG 2.65Å; S11-S13 WeakPolarHBondContact CB-OG 3.33Å; S11-S13 PolarHBondContact O-N 3.3Å; S11-S13 PolarHBondContact O-OG 2.84Å; S11-S13 PolarHBondContact OG-OG 2.74Å
12A37.8Very low41.4Very low0 Ų051.7 Ų51.70%023%0.225CC..  trans-75.840.4-165.200000112.3Y10 F14 L30 P32 I50 Y59Y10-A12 PolarHBondContact O-N 2.94Å; Y10-A12 VanDerWaalsContact O-N 3.1Å; A12-F14 WeakPolarHBondContact O-CD2 3.3Å; A12-F14 PolarHBondContact O-N 2.84Å; A12-F14 VanDerWaalsContact O-N 3.13Å; A12-L30 CarbonylContact C-O 3.51Å; A12-L30 CarbonylContact O-C 3.54Å; A12-P32 HydrophobicContact CB-CG 3.78Å; A12-I50 HydrophobicContact CB-CD1 3.9Å; A12-Y59 HydrophobicContact CB-CD2 3.67Å; A12-Y59 HydrophobicContact CB-CG 4.06Å
13S45.9Very low42.3Very low9 Ų952.1 Ų52.16%0.06323%0.228CC..  trans-79.396.5-168.2-40.60000108.8S11 L30 H40S11-S13 WeakPolarHBondContact CB-OG 3.33Å; S11-S13 PolarHBondContact O-N 3.3Å; S11-S13 PolarHBondContact O-OG 2.84Å; S11-S13 PolarHBondContact OG-OG 2.74Å; S13-L30 WeakPolarHBondContact CA-O 3.47Å; S13-H40 VanDerWaalsContact CB-CD2 3.45Å; S13-H40 WeakPolarHBondContact CB-CD2 3.37Å; S13-H40 PolarHBondContact OG-CD2 3.46Å; S13-H40 PolarHBondContact OG-CE1 3.21Å; S13-H40 PolarHBondContact OG-ND1 2.99Å; S13-H40 PolarHBondContact OG-NE2 3.42Å
14F50.3Low42.6Very low0 Ų054.3 Ų54.30%024%0.242CC..EExtended strand (participates in β ladder)trans-86123.9164.9-64.7-92000107.7A12 V16 Y28 T29 L30 I50 Y59 I65 V77 H78 P79 L84 F90A12-F14 WeakPolarHBondContact O-CD2 3.3Å; A12-F14 PolarHBondContact O-N 2.84Å; A12-F14 VanDerWaalsContact O-N 3.13Å; F14-V16 HydrophobicContact CB-CG2 3.75Å; F14-V16 PolarHBondContact O-N 3.03Å; F14-Y28 VanDerWaalsContact O-O 3.06Å; F14-T29 VanDerWaalsContact O-CA 3.29Å; F14-T29 WeakPolarHBondContact O-CA 3.12Å; F14-L30 HydrophobicContact CB-CB 4.04Å; F14-L30 HydrophobicContact CB-CD1 3.82Å; F14-L30 HydrophobicContact CB-CG 3.91Å; F14-L30 HydrophobicContact CD2-CB 3.73Å; F14-L30 HydrophobicContact CD2-CD1 3.79Å; F14-L30 HydrophobicContact CD2-CG 4.21Å; F14-L30 HydrophobicContact CG-CB 4.3Å; F14-L30 HydrophobicContact CG-CD1 3.88Å; F14-L30 HydrophobicContact CG-CG 4.37Å; F14-L30 PolarHBondContact O-N 3.36Å; F14-I50 HydrophobicContact CD2-CD1 4.44Å; F14-I50 HydrophobicContact CE2-CD1 4.11Å; F14-Y59 HydrophobicContact CE1-CE2 4.14Å; F14-Y59 AromaticContact CE2-CD2 3.56Å; F14-Y59 HydrophobicContact CE2-CD2 3.56Å; F14-Y59 AromaticContact CE2-CE2 3.74Å; F14-Y59 HydrophobicContact CE2-CE2 3.74Å; F14-Y59 AromaticContact CZ-CD2 3.59Å; F14-Y59 HydrophobicContact CZ-CD2 3.59Å; F14-Y59 AromaticContact CZ-CE2 3.38Å; F14-Y59 HydrophobicContact CZ-CE2 3.38Å; F14-I65 HydrophobicContact CD2-CD1 4.28Å; F14-I65 HydrophobicContact CD2-CG1 4.29Å; F14-I65 HydrophobicContact CE1-CD1 4.01Å; F14-I65 HydrophobicContact CE2-CD1 3.39Å; F14-I65 HydrophobicContact CE2-CG1 3.82Å; F14-I65 HydrophobicContact CZ-CD1 3.25Å; F14-I65 HydrophobicContact CZ-CG1 4.1Å; F14-V77 HydrophobicContact CB-CG1 4.24Å; F14-V77 HydrophobicContact CD1-CG1 3.5Å; F14-V77 VanDerWaalsContact CD1-CG1 3.5Å; F14-V77 HydrophobicContact CE1-CG1 4.35Å; F14-V77 HydrophobicContact CG-CG1 4.26Å; F14-H78 WeakPolarHBondContact CA-O 3.47Å; F14-P79 HydrophobicContact CD1-CB 4.34Å; F14-P79 HydrophobicContact CE1-CB 4.02Å; F14-L84 HydrophobicContact CE1-CB 4.44Å; F14-L84 HydrophobicContact CE1-CD1 4.34Å; F14-L84 HydrophobicContact CZ-CB 4.42Å; F14-L84 HydrophobicContact CZ-CD1 3.87Å; F14-F90 HydrophobicContact CD1-CZ 4.38Å; F14-F90 AromaticContact CE1-CE1 3.84Å; F14-F90 HydrophobicContact CE1-CE1 3.84Å; F14-F90 AromaticContact CE1-CZ 3.82Å; F14-F90 HydrophobicContact CE1-CZ 3.82Å
15V52.7Low43.1Very low29 Ų2951.5 Ų51.518%0.17624%0.235CC..EExtended strand (participates in β ladder)trans-83.6116.4164.7-179.50000107.1F3 L17 F27 H78F3-V15 HydrophobicContact CE1-CG1 4.33Å; V15-L17 HydrophobicContact CG1-CD2 4.16Å; V15-F27 HydrophobicContact CG1-CD1 3.82Å; V15-H78 HydrophobicContact CB-CB 4.31Å; V15-H78 PolarHBondContact N-O 2.77Å; V15-H78 PolarHBondContact O-N 3.36Å
16V53.9Low43.3Very low1 Ų154.5 Ų54.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-115.3129.6-174.9175.60000108.5F14 Y28 L30 A74 A76 V77F14-V16 HydrophobicContact CB-CG2 3.75Å; F14-V16 PolarHBondContact O-N 3.03Å; V16-Y28 PolarHBondContact N-O 3.31Å; V16-Y28 WeakPolarHBondContact O-CB 3.45Å; V16-Y28 WeakPolarHBondContact O-CD2 3.4Å; V16-Y28 PolarHBondContact O-N 2.89Å; V16-L30 HydrophobicContact CG2-CD1 4.2Å; V16-L30 HydrophobicContact CG2-CG 4.19Å; V16-A74 HydrophobicContact CB-CB 4.47Å; V16-A74 HydrophobicContact CG1-CB 2.97Å; V16-A76 WeakPolarHBondContact CA-O 3.3Å; V16-V77 HydrophobicContact CG2-CG1 4.29Å; V16-V77 HydrophobicContact CG2-CG2 4.11Å
17L52.4Low43.7Very low15 Ų1555.5 Ų55.58%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-113.7113.5-168.9-61.9177000110.9V15 W20 F27 Q75 A76 I102 I312V15-L17 HydrophobicContact CG1-CD2 4.16Å; L17-W20 VanDerWaalsContact CB-NE1 3.34Å; L17-W20 HydrophobicContact CD1-CZ2 3.99Å; L17-F27 HydrophobicContact CD2-CD1 3.35Å; L17-F27 HydrophobicContact CD2-CE1 3.2Å; L17-F27 HydrophobicContact CD2-CG 4.42Å; L17-F27 HydrophobicContact CD2-CZ 4.19Å; L17-Q75 PolarHBondContact O-N 2.99Å; L17-A76 HydrophobicContact CB-CB 4.49Å; L17-A76 PolarHBondContact N-O 3.49Å; L17-A76 PolarHBondContact O-N 3.17Å; L17-I102 HydrophobicContact CD1-CD1 3.94Å; L17-I312 HydrophobicContact CD1-CG2 4.34Å
18R47.5Very low44.3Very low98 Ų9855.6 Ų55.637%0.3725%0.252SS..SBendtrans-88.2-33.8-176.2-177.4179.9-177.3-1786.5115.4K26 Y28 T72 Q75R18-K26 PolarHBondContact N-O 3.44Å; R18-Y28 HydrophobicContact CB-CD2 3.93Å; R18-Y28 HydrophobicContact CB-CE2 3.26Å; R18-Y28 WeakPolarHBondContact CD-OH 3.43Å; R18-Y28 HydrophobicContact CG-CE2 4.1Å; R18-Y28 PolarHBondContact NH1-OH 3.45Å; R18-T72 WeakPolarHBondContact CD-O 3.17Å; R18-T72 PolarHBondContact NE-O 2.91Å; R18-Q75 VanDerWaalsContact O-CD 3.27Å; R18-Q75 WeakPolarHBondContact O-CG 3.38Å; R18-Q75 PolarHBondContact O-OE1 3.36Å; R18-Q75 VanDerWaalsContact O-OE1 3.09Å
19R51.9Low44.9Very low116 Ų11654.7 Ų54.744%0.43825%0.246SC..  trans-128.195-178.5-76.8-173.3179.9172.5-3.2110.6T22 D24R19-T22 WeakPolarHBondContact CD-OG1 3.08Å; R19-D24 IonicContact NH1-OD2 3.63Å; R19-D24 PolarHBondContact NH1-OD2 2.83Å
20W46.7Very low45.6Very low43 Ų4352.8 Ų52.816%0.16324%0.239CC..SBendtrans-74.7-27.7175-81.861.1000113.4L17 A76 I102 I312 A315 Y316L17-W20 VanDerWaalsContact CB-NE1 3.34Å; L17-W20 HydrophobicContact CD1-CZ2 3.99Å; W20-A76 HydrophobicContact CZ2-CB 3.3Å; W20-I102 HydrophobicContact CZ2-CD1 4.2Å; W20-I312 HydrophobicContact CH2-CG2 4.05Å; W20-I312 WeakPolarHBondContact CH2-O 3.35Å; W20-I312 HydrophobicContact CZ3-CG2 4.19Å; W20-I312 WeakPolarHBondContact CZ3-O 3.26Å; W20-A315 HydrophobicContact CH2-CB 4Å; W20-Y316 HydrophobicContact CB-CE2 4.29Å; W20-Y316 HydrophobicContact CD2-CD2 4.06Å; W20-Y316 HydrophobicContact CD2-CE2 4.39Å; W20-Y316 AromaticContact CE3-CD2 2.99Å; W20-Y316 HydrophobicContact CE3-CD2 2.99Å; W20-Y316 AromaticContact CE3-CE2 3.58Å; W20-Y316 HydrophobicContact CE3-CE2 3.58Å; W20-Y316 AromaticContact CE3-CG 3.78Å; W20-Y316 HydrophobicContact CE3-CG 3.78Å; W20-Y316 HydrophobicContact CH2-CD2 4.38Å; W20-Y316 VanDerWaalsContact CZ3-CB 3.42Å; W20-Y316 AromaticContact CZ3-CD2 3.22Å; W20-Y316 HydrophobicContact CZ3-CD2 3.22Å; W20-Y316 HydrophobicContact CZ3-CE2 4.24Å; W20-Y316 AromaticContact CZ3-CG 3.62Å; W20-Y316 HydrophobicContact CZ3-CG 3.62Å
21L44.3Very low46.3Very low135 Ų13552 Ų5271%0.70724%0.236SC*.SBendtrans-97-3.4-165.6-77.9161.8000115.8Y316L21-Y316 WeakPolarHBondContact CD2-OH 3.23Å
22T41.9Very low47.1Very low64 Ų6451.5 Ų51.539%0.39323%0.233SC..SBendtrans-123.9155.3-175.256.40000111.6R19 D24R19-T22 WeakPolarHBondContact CD-OG1 3.08Å; T22-D24 PolarHBondContact O-N 3.31Å
23Y42.1Very low47.5Very low245 Ų24556 Ų5696%0.96126%0.256SS*.SBendtrans-55.4-20.8169.1-80.4-84.7000112.7K25Y23-K25 PolarHBondContact O-N 2.99Å
24D38.9Very low47.5Very low102 Ų10257 Ų5755%0.54526%0.26SS..  trans-8962.2-179-137.925.5000112.1R19 T22 K26R19-D24 IonicContact NH1-OD2 3.63Å; R19-D24 PolarHBondContact NH1-OD2 2.83Å; T22-D24 PolarHBondContact O-N 3.31Å; D24-K26 PolarHBondContact O-N 2.96Å
25K42.8Very low47.1Very low105 Ų10557.8 Ų57.846%0.45727%0.266SS..PPolyproline II helixtrans-72.8119.7178.8-64.4-175.1-179.2-176.20109.6M1 Y23 F27M1-K25 HydrophobicContact CE-CD 4.15Å; Y23-K25 PolarHBondContact O-N 2.99Å; K25-F27 HydrophobicContact CB-CE2 4Å; K25-F27 HydrophobicContact CB-CZ 4.17Å
26K45.7Very low46.9Very low82 Ų8256.7 Ų56.736%0.35726%0.259SS..PPolyproline II helixtrans-99.4128.5170.3-68.8-168.1175.9-165.50111.4R18 D24 Y28 D45R18-K26 PolarHBondContact N-O 3.44Å; D24-K26 PolarHBondContact O-N 2.96Å; K26-Y28 HydrophobicContact CB-CD2 4.49Å; K26-Y28 HydrophobicContact CB-CE2 3.69Å; K26-D45 WeakPolarHBondContact CA-OD2 3.48Å
27F47.1Very low47Very low30 Ų3061.2 Ų61.213%0.13228%0.28CS..EExtended strand (participates in β ladder)trans-100.3128.3175.5-62.9-83.4000110.3M1 F3 V15 L17 K25 D45 E46M1-F27 HydrophobicContact CE-CE2 3.39Å; M1-F27 HydrophobicContact CE-CZ 3.4Å; M1-F27 VanDerWaalsContact CE-CZ 3.4Å; M1-F27 HydrophobicContact SD-CE1 4.35Å; M1-F27 HydrophobicContact SD-CE2 4Å; M1-F27 HydrophobicContact SD-CZ 3.42Å; M1-F27 WeakPolarHBondContact SD-CZ 3.46Å; F3-F27 HydrophobicContact CE1-CD1 4.4Å; F3-F27 HydrophobicContact CE1-CE1 4.34Å; F3-F27 HydrophobicContact CE2-CE1 4.5Å; F3-F27 HydrophobicContact CZ-CD1 4.06Å; F3-F27 AromaticContact CZ-CE1 3.56Å; F3-F27 HydrophobicContact CZ-CE1 3.56Å; F3-F27 HydrophobicContact CZ-CZ 4.25Å; V15-F27 HydrophobicContact CG1-CD1 3.82Å; L17-F27 HydrophobicContact CD2-CD1 3.35Å; L17-F27 HydrophobicContact CD2-CE1 3.2Å; L17-F27 HydrophobicContact CD2-CG 4.42Å; L17-F27 HydrophobicContact CD2-CZ 4.19Å; K25-F27 HydrophobicContact CB-CE2 4Å; K25-F27 HydrophobicContact CB-CZ 4.17Å; F27-D45 WeakPolarHBondContact CD2-OD2 3.46Å; F27-D45 PolarHBondContact N-OD2 3.32Å; F27-D45 PolarHBondContact O-N 3.4Å; F27-E46 PolarHBondContact O-N 2.83Å; F27-E46 VanDerWaalsContact O-N 3.17Å
28Y47.7Very low47.5Very low1 Ų162.8 Ų62.80%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-110.2136.4177.1-69.5-101.3000107.6F14 V16 R18 K26 E46 T72F14-Y28 VanDerWaalsContact O-O 3.06Å; V16-Y28 PolarHBondContact N-O 3.31Å; V16-Y28 WeakPolarHBondContact O-CB 3.45Å; V16-Y28 WeakPolarHBondContact O-CD2 3.4Å; V16-Y28 PolarHBondContact O-N 2.89Å; R18-Y28 HydrophobicContact CB-CD2 3.93Å; R18-Y28 HydrophobicContact CB-CE2 3.26Å; R18-Y28 WeakPolarHBondContact CD-OH 3.43Å; R18-Y28 HydrophobicContact CG-CE2 4.1Å; R18-Y28 PolarHBondContact NH1-OH 3.45Å; K26-Y28 HydrophobicContact CB-CD2 4.49Å; K26-Y28 HydrophobicContact CB-CE2 3.69Å; Y28-E46 CarbonylContact C-O 3.47Å; Y28-E46 VanDerWaalsContact CA-O 3.28Å; Y28-E46 WeakPolarHBondContact CA-O 3.35Å; Y28-E46 HydrophobicContact CD1-CB 3.71Å; Y28-E46 HydrophobicContact CD1-CG 4.08Å; Y28-E46 HydrophobicContact CE1-CB 3.61Å; Y28-E46 HydrophobicContact CE1-CG 3.81Å; Y28-E46 WeakPolarHBondContact CE1-OE2 3.36Å; Y28-E46 HydrophobicContact CG-CB 4.44Å; Y28-E46 VanDerWaalsContact CZ-OE2 3.24Å; Y28-E46 PolarHBondContact OH-OE2 2.87Å; Y28-T72 HydrophobicContact CD1-CG2 3.4Å; Y28-T72 VanDerWaalsContact CD1-CG2 3.4Å; Y28-T72 VanDerWaalsContact CE1-CB 3.47Å; Y28-T72 HydrophobicContact CE1-CG2 3.49Å; Y28-T72 VanDerWaalsContact CE1-CG2 3.49Å; Y28-T72 HydrophobicContact CG-CG2 4.39Å
29T49.6Very low48.5Very low4 Ų460.4 Ų60.43%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-112.5141.2162.6-165.10000111.7F14 H40 V41 A44 E46 A47 V48F14-T29 VanDerWaalsContact O-CA 3.29Å; F14-T29 WeakPolarHBondContact O-CA 3.12Å; T29-H40 PolarHBondContact OG1-CD2 3.12Å; T29-V41 HydrophobicContact CG2-CB 3.87Å; T29-V41 HydrophobicContact CG2-CG1 3.93Å; T29-V41 HydrophobicContact CG2-CG2 3.68Å; T29-A44 HydrophobicContact CG2-CB 3.79Å; T29-E46 PolarHBondContact N-O 2.88Å; T29-A47 HydrophobicContact CG2-CB 3.84Å; T29-A47 CarbonylContact O-C 3.49Å; T29-A47 VanDerWaalsContact O-CA 3.27Å; T29-A47 WeakPolarHBondContact O-CA 3.49Å; T29-V48 PolarHBondContact O-N 2.91Å
30L47.7Very low49.2Very low1 Ų155.9 Ų55.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-98136.9165.5-54.2-177.4000107.2A12 S13 F14 V16 V48 I50 I65 A68A12-L30 CarbonylContact C-O 3.51Å; A12-L30 CarbonylContact O-C 3.54Å; S13-L30 WeakPolarHBondContact CA-O 3.47Å; F14-L30 HydrophobicContact CB-CB 4.04Å; F14-L30 HydrophobicContact CB-CD1 3.82Å; F14-L30 HydrophobicContact CB-CG 3.91Å; F14-L30 HydrophobicContact CD2-CB 3.73Å; F14-L30 HydrophobicContact CD2-CD1 3.79Å; F14-L30 HydrophobicContact CD2-CG 4.21Å; F14-L30 HydrophobicContact CG-CB 4.3Å; F14-L30 HydrophobicContact CG-CD1 3.88Å; F14-L30 HydrophobicContact CG-CG 4.37Å; F14-L30 PolarHBondContact O-N 3.36Å; V16-L30 HydrophobicContact CG2-CD1 4.2Å; V16-L30 HydrophobicContact CG2-CG 4.19Å; L30-V48 WeakPolarHBondContact CA-O 3.21Å; L30-V48 HydrophobicContact CD2-CB 3.67Å; L30-V48 HydrophobicContact CD2-CG1 4.35Å; L30-V48 HydrophobicContact CD2-CG2 4.33Å; L30-I50 HydrophobicContact CB-CD1 4.22Å; L30-I50 HydrophobicContact CB-CG2 3.73Å; L30-I50 HydrophobicContact CD1-CG2 4.08Å; L30-I50 HydrophobicContact CD2-CG2 4.04Å; L30-I50 HydrophobicContact CG-CG2 4.15Å; L30-I65 HydrophobicContact CD1-CB 4.08Å; L30-I65 HydrophobicContact CD1-CG1 3.97Å; L30-I65 HydrophobicContact CD1-CG2 3.59Å; L30-A68 HydrophobicContact CD1-CB 4.18Å; L30-A68 HydrophobicContact CD2-CB 3.4Å; L30-A68 VanDerWaalsContact CD2-CB 3.4Å; L30-A68 HydrophobicContact CG-CB 4.46Å
31D50.1Low50.3Low1 Ų154.2 Ų54.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-156.8139.3177.6-168.521.5000111.3K38 H40 V41 V48 C49 I50D31-K38 IonicContact OD1-NZ 3.54Å; D31-K38 PolarHBondContact OD1-NZ 3.48Å; D31-K38 VanDerWaalsContact OD2-CD 3.25Å; D31-K38 WeakPolarHBondContact OD2-CD 3.43Å; D31-K38 IonicContact OD2-NZ 3.83Å; D31-K38 PolarHBondContact OD2-NZ 2.9Å; D31-H40 IonicContact OD1-NE2 2.71Å; D31-H40 IonicContact OD2-CE1 3.66Å; D31-H40 IonicContact OD2-NE2 2.6Å; D31-V41 HydrophobicContact CB-CG2 3.92Å; D31-V41 WeakPolarHBondContact OD2-CG2 3.47Å; D31-V48 PolarHBondContact N-O 2.91Å; D31-C49 WeakPolarHBondContact O-CA 3.27Å; D31-I50 PolarHBondContact O-N 3.35Å
32P51.7Low51.4Low1 Ų152.1 Ų52.11%0.00625%0.246CC..SBendtrans-78.5137.7169.823.8-34.5000114.3A12 K38 G51 P52 S58 Y383A12-P32 HydrophobicContact CB-CG 3.78Å; P32-K38 PolarHBondContact O-NZ 3.33Å; P32-G51 CarbonylContact C-O 3.53Å; P32-G51 WeakPolarHBondContact CA-O 3.2Å; P32-G51 WeakPolarHBondContact CB-O 3.44Å; P32-P52 WeakPolarHBondContact CB-O 3.43Å; P32-S58 WeakPolarHBondContact CG-OG 3.41Å; P32-Y383 WeakPolarHBondContact CG-OH 3.32Å
33I46.9Very low52.7Low94 Ų9454.7 Ų54.748%0.48226%0.257SS..SBendtrans42.3122.5174.9-81.3170.8000115.1G51 P52I33-G51 PolarHBondContact N-O 3.38Å; I33-G51 VanDerWaalsContact N-O 3.1Å; I33-P52 HydrophobicContact CD1-CB 3.44Å; I33-P52 VanDerWaalsContact CD1-CB 3.44Å; I33-P52 HydrophobicContact CG1-CB 4.23Å
34N46.3Very low54Low29 Ų2944 Ų4416%0.15522%0.219CC..  trans57.559.1175.6-133.522.4000112.8S36 E37 Y940N34-S36 PolarHBondContact O-N 2.7Å; N34-S36 PolarHBondContact OD1-OG 3.13Å; N34-E37 VanDerWaalsContact ND2-CD 3.32Å; N34-E37 PolarHBondContact ND2-OE1 3.3Å; N34-E37 PolarHBondContact O-N 2.77Å; N34-Y940 PolarHBondContact ND2-OH 2.78Å
35P42Very low55.5Low18 Ų1844.1 Ų44.112%0.11722%0.219CC..G310 helixtrans-46.9-33.3176.712.7-26000112E37 K38 V41 A47P35-E37 VanDerWaalsContact C-N 3.25Å; P35-E37 PolarHBondContact O-N 2.87Å; P35-K38 PolarHBondContact O-N 2.77Å; P35-V41 VanDerWaalsContact C-CG1 3.49Å; P35-V41 HydrophobicContact CB-CB 4.32Å; P35-V41 HydrophobicContact CB-CG1 3.44Å; P35-V41 VanDerWaalsContact CB-CG1 3.44Å; P35-V41 HydrophobicContact CB-CG2 4.09Å; P35-V41 WeakPolarHBondContact O-CB 3.38Å; P35-V41 WeakPolarHBondContact O-CG1 3.47Å; P35-V41 WeakPolarHBondContact O-CG2 3.39Å; P35-A47 HydrophobicContact CB-CB 4.22Å
36S47.8Very low56.9Low6 Ų642.9 Ų42.94%0.04222%0.215CC..G310 helixtrans-50-32.1-175.7540000119.5N34 Q42 H927N34-S36 PolarHBondContact O-N 2.7Å; N34-S36 PolarHBondContact OD1-OG 3.13Å; S36-Q42 PolarHBondContact O-NE2 3.22Å; S36-H927 WeakPolarHBondContact CA-CD2 3.48Å; S36-H927 WeakPolarHBondContact CA-CE1 3.48Å; S36-H927 WeakPolarHBondContact CA-NE2 3.23Å; S36-H927 WeakPolarHBondContact CB-CD2 3.21Å; S36-H927 VanDerWaalsContact CB-NE2 3.34Å; S36-H927 WeakPolarHBondContact CB-NE2 3.22Å; S36-H927 PolarHBondContact O-ND1 3.14Å
37E55.8Low58.3Low95 Ų9540.1 Ų40.144%0.44421%0.207SC..G310 helixtrans-103.6-4.8-168.4-69.6173.5-166.300113N34 P35 Y374N34-E37 VanDerWaalsContact ND2-CD 3.32Å; N34-E37 PolarHBondContact ND2-OE1 3.3Å; N34-E37 PolarHBondContact O-N 2.77Å; P35-E37 VanDerWaalsContact C-N 3.25Å; P35-E37 PolarHBondContact O-N 2.87Å; E37-Y374 WeakPolarHBondContact O-CE1 3.18Å; E37-Y374 PolarHBondContact O-OH 2.71Å
38K63.7Low59.6Low48 Ų4840.3 Ų40.321%0.20921%0.211CC..SBendtrans-96.9138.3-179.1-57.7-160.1-162.2106.90111.2D31 P32 P35 H40 V41 Q42D31-K38 IonicContact OD1-NZ 3.54Å; D31-K38 PolarHBondContact OD1-NZ 3.48Å; D31-K38 VanDerWaalsContact OD2-CD 3.25Å; D31-K38 WeakPolarHBondContact OD2-CD 3.43Å; D31-K38 IonicContact OD2-NZ 3.83Å; D31-K38 PolarHBondContact OD2-NZ 2.9Å; P32-K38 PolarHBondContact O-NZ 3.33Å; P35-K38 PolarHBondContact O-N 2.77Å; K38-H40 VanDerWaalsContact C-N 3.31Å; K38-H40 PolarHBondContact O-N 3.48Å; K38-V41 HydrophobicContact CB-CG2 4.08Å; K38-V41 WeakPolarHBondContact O-CB 3.26Å; K38-V41 PolarHBondContact O-N 2.75Å; K38-Q42 PolarHBondContact O-N 3.25Å; K38-Q42 VanDerWaalsContact O-N 3.14Å
39L67.9Low61.2Low48 Ų4843.7 Ų43.725%0.25123%0.234SC..Hα-helixtrans-55-45-174.5-177.560.8000112.6V41 Q42 L43 Y374L39-V41 VanDerWaalsContact C-N 3.25Å; L39-V41 PolarHBondContact O-N 2.9Å; L39-Q42 PolarHBondContact O-N 3.43Å; L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.49Å; L39-L43 HydrophobicContact CG-CD1 4.13Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.36Å; L39-Y374 HydrophobicContact CB-CD1 4.49Å
40H67.1Low62.5Low22 Ų2243.8 Ų43.810%0.10223%0.234CC..Hα-helixtrans-67.6-24.7-17865.3-92.8000113.6C6 S13 T29 D31 K38 A44C6-H40 HydrophobicContact CB-CB 4.15Å; C6-H40 PolarHBondContact SG-ND1 3.19Å; C6-H40 VanDerWaalsContact SG-ND1 3.44Å; S13-H40 VanDerWaalsContact CB-CD2 3.45Å; S13-H40 WeakPolarHBondContact CB-CD2 3.37Å; S13-H40 PolarHBondContact OG-CD2 3.46Å; S13-H40 PolarHBondContact OG-CE1 3.21Å; S13-H40 PolarHBondContact OG-ND1 2.99Å; S13-H40 PolarHBondContact OG-NE2 3.42Å; T29-H40 PolarHBondContact OG1-CD2 3.12Å; D31-H40 IonicContact OD1-NE2 2.71Å; D31-H40 IonicContact OD2-CE1 3.66Å; D31-H40 IonicContact OD2-NE2 2.6Å; K38-H40 VanDerWaalsContact C-N 3.31Å; K38-H40 PolarHBondContact O-N 3.48Å; H40-A44 PolarHBondContact O-N 3.21Å
41V68.6Low63.9Low7 Ų744.6 Ų44.64%0.04224%0.243CC..Hα-helixtrans-77.9-41174.7-176.40000110.9T29 D31 P35 K38 L39 L43 A44 A47T29-V41 HydrophobicContact CG2-CB 3.87Å; T29-V41 HydrophobicContact CG2-CG1 3.93Å; T29-V41 HydrophobicContact CG2-CG2 3.68Å; D31-V41 HydrophobicContact CB-CG2 3.92Å; D31-V41 WeakPolarHBondContact OD2-CG2 3.47Å; P35-V41 VanDerWaalsContact C-CG1 3.49Å; P35-V41 HydrophobicContact CB-CB 4.32Å; P35-V41 HydrophobicContact CB-CG1 3.44Å; P35-V41 VanDerWaalsContact CB-CG1 3.44Å; P35-V41 HydrophobicContact CB-CG2 4.09Å; P35-V41 WeakPolarHBondContact O-CB 3.38Å; P35-V41 WeakPolarHBondContact O-CG1 3.47Å; P35-V41 WeakPolarHBondContact O-CG2 3.39Å; K38-V41 HydrophobicContact CB-CG2 4.08Å; K38-V41 WeakPolarHBondContact O-CB 3.26Å; K38-V41 PolarHBondContact O-N 2.75Å; L39-V41 VanDerWaalsContact C-N 3.25Å; L39-V41 PolarHBondContact O-N 2.9Å; V41-L43 PolarHBondContact O-N 3.23Å; V41-A44 PolarHBondContact O-N 2.96Å; V41-A44 VanDerWaalsContact O-N 3.08Å; V41-A47 HydrophobicContact CG1-CB 3.39Å
42Q68.7Low65.2Low92 Ų9247.1 Ų47.143%0.4326%0.26SS..Hα-helixtrans-64-26.4174-65.1176.16.900112.5S36 K38 L39 Y374S36-Q42 PolarHBondContact O-NE2 3.22Å; K38-Q42 PolarHBondContact O-N 3.25Å; K38-Q42 VanDerWaalsContact O-N 3.14Å; L39-Q42 PolarHBondContact O-N 3.43Å; Q42-Y374 PolarHBondContact NE2-OH 3.13Å
43L67.6Low66.1Low118 Ų11847.9 Ų47.962%0.61827%0.266SS*.THydrogen-bonded Turntrans-82.7-13.1175.1-69.3174.6000113.8L39 V41L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.49Å; L39-L43 HydrophobicContact CG-CD1 4.13Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.36Å; V41-L43 PolarHBondContact O-N 3.23Å
44A69.8Low67.4Low21 Ų2145.2 Ų45.217%0.17426%0.255CS..SBendtrans-86.1150.8178.900000111T29 H40 V41 E46T29-A44 HydrophobicContact CG2-CB 3.79Å; H40-A44 PolarHBondContact O-N 3.21Å; V41-A44 PolarHBondContact O-N 2.96Å; V41-A44 VanDerWaalsContact O-N 3.08Å; A44-E46 VanDerWaalsContact C-N 3.33Å
45D70.8Confident68.6Low103 Ų10345.1 Ų45.155%0.55126%0.255SS*.SBendtrans-73.6-29.7174.2-58.8-71.3000111.6K26 F27K26-D45 WeakPolarHBondContact CA-OD2 3.48Å; F27-D45 WeakPolarHBondContact CD2-OD2 3.46Å; F27-D45 PolarHBondContact N-OD2 3.32Å; F27-D45 PolarHBondContact O-N 3.4Å
46E71.9Confident70.3Confident80 Ų8052.9 Ų52.937%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-146.5149.2178.4-163.6175.9150.800110.1F27 Y28 T29 A44F27-E46 PolarHBondContact O-N 2.83Å; F27-E46 VanDerWaalsContact O-N 3.17Å; Y28-E46 CarbonylContact C-O 3.47Å; Y28-E46 VanDerWaalsContact CA-O 3.28Å; Y28-E46 WeakPolarHBondContact CA-O 3.35Å; Y28-E46 HydrophobicContact CD1-CB 3.71Å; Y28-E46 HydrophobicContact CD1-CG 4.08Å; Y28-E46 HydrophobicContact CE1-CB 3.61Å; Y28-E46 HydrophobicContact CE1-CG 3.81Å; Y28-E46 WeakPolarHBondContact CE1-OE2 3.36Å; Y28-E46 HydrophobicContact CG-CB 4.44Å; Y28-E46 VanDerWaalsContact CZ-OE2 3.24Å; Y28-E46 PolarHBondContact OH-OE2 2.87Å; T29-E46 PolarHBondContact N-O 2.88Å; A44-E46 VanDerWaalsContact C-N 3.33Å
47A74.4Confident71.7Confident23 Ų2355 Ų5519%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-134.1135.1-179.800000112T29 P35 V41T29-A47 HydrophobicContact CG2-CB 3.84Å; T29-A47 CarbonylContact O-C 3.49Å; T29-A47 VanDerWaalsContact O-CA 3.27Å; T29-A47 WeakPolarHBondContact O-CA 3.49Å; P35-A47 HydrophobicContact CB-CB 4.22Å; V41-A47 HydrophobicContact CG1-CB 3.39Å
48V76.3Confident72.8Confident34 Ų3450.5 Ų50.521%0.20627%0.272CS..EExtended strand (participates in β ladder)trans-118.7126.9178.6-1770000110T29 L30 D31 I50 A68 T72T29-V48 PolarHBondContact O-N 2.91Å; L30-V48 WeakPolarHBondContact CA-O 3.21Å; L30-V48 HydrophobicContact CD2-CB 3.67Å; L30-V48 HydrophobicContact CD2-CG1 4.35Å; L30-V48 HydrophobicContact CD2-CG2 4.33Å; D31-V48 PolarHBondContact N-O 2.91Å; V48-I50 PolarHBondContact O-N 3Å; V48-A68 HydrophobicContact CB-CB 4.29Å; V48-A68 HydrophobicContact CG1-CB 3.86Å; V48-T72 HydrophobicContact CG2-CG2 3.71Å
49C80.8Confident73.5Confident73 Ų7348.4 Ų48.449%0.49326%0.263SS..EExtended strand (participates in β ladder)trans-77.4119.1176.9-174.70000110.7D31D31-C49 WeakPolarHBondContact O-CA 3.27Å
50I76.6Confident74.3Confident5 Ų549.2 Ų49.23%0.02627%0.267CS..  trans-97.1-5.3-178.858.3170.6000114.4A12 F14 L30 D31 V48 K64 I65A12-I50 HydrophobicContact CB-CD1 3.9Å; F14-I50 HydrophobicContact CD2-CD1 4.44Å; F14-I50 HydrophobicContact CE2-CD1 4.11Å; L30-I50 HydrophobicContact CB-CD1 4.22Å; L30-I50 HydrophobicContact CB-CG2 3.73Å; L30-I50 HydrophobicContact CD1-CG2 4.08Å; L30-I50 HydrophobicContact CD2-CG2 4.04Å; L30-I50 HydrophobicContact CG-CG2 4.15Å; D31-I50 PolarHBondContact O-N 3.35Å; V48-I50 PolarHBondContact O-N 3Å; I50-K64 HydrophobicContact CB-CB 4.31Å; I50-I65 HydrophobicContact CD1-CG1 4.19Å; I50-I65 HydrophobicContact CG2-CG1 4.44Å
51G77.7Confident75.2Confident18 Ų1852.4 Ų52.419%0.18628%0.278CS..SBendtrans152.3-170.3177.900000114.4P32 I33P32-G51 CarbonylContact C-O 3.53Å; P32-G51 WeakPolarHBondContact CA-O 3.2Å; P32-G51 WeakPolarHBondContact CB-O 3.44Å; I33-G51 PolarHBondContact N-O 3.38Å; I33-G51 VanDerWaalsContact N-O 3.1Å
52P75.8Confident76.3Confident55 Ų5554 Ų5436%0.35729%0.286SS..  trans-78.3164.5175.631.4-34.2000114.3P32 I33 P54 D57 S58P32-P52 WeakPolarHBondContact CB-O 3.43Å; I33-P52 HydrophobicContact CD1-CB 3.44Å; I33-P52 VanDerWaalsContact CD1-CB 3.44Å; I33-P52 HydrophobicContact CG1-CB 4.23Å; P52-P54 WeakPolarHBondContact O-CD 3.33Å; P52-P54 VanDerWaalsContact O-N 3.17Å; P52-D57 WeakPolarHBondContact CD-O 3.47Å; P52-D57 HydrophobicContact CG-CB 3.6Å; P52-S58 WeakPolarHBondContact O-CB 3.09Å; P52-S58 PolarHBondContact O-OG 3.03Å
53A70.6Confident77.3Confident17 Ų1753.3 Ų53.314%0.1429%0.285CS..SBendtrans-53.3-32-172.800000116.9T55 Y382 Y383A53-T55 PolarHBondContact O-N 3.13Å; A53-Y382 HydrophobicContact CB-CD2 3.49Å; A53-Y382 VanDerWaalsContact CB-CD2 3.49Å; A53-Y382 HydrophobicContact CB-CE2 3.65Å; A53-Y382 HydrophobicContact CB-CG 4.12Å; A53-Y383 WeakPolarHBondContact O-CE1 3.33Å; A53-Y383 VanDerWaalsContact O-CZ 3.32Å; A53-Y383 PolarHBondContact O-OH 2.95Å
54P74.5Confident78.2Confident38 Ų3851.1 Ų51.125%0.24727%0.27CS..SBendtrans-59.8128.7172.6-23.835.1000111.3P52 R56 D57 S58 Y382P52-P54 WeakPolarHBondContact O-CD 3.33Å; P52-P54 VanDerWaalsContact O-N 3.17Å; P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 3.2Å; P54-D57 PolarHBondContact O-N 2.82Å; P54-S58 PolarHBondContact O-N 3.46Å; P54-S58 PolarHBondContact O-OG 3.42Å; P54-Y382 HydrophobicContact CG-CD1 4.21Å; P54-Y382 HydrophobicContact CG-CE1 4.04Å
55T72.4Confident79Confident26 Ų2650.1 Ų50.116%0.1626%0.262CS..G310 helixtrans-56.1-37.4-175.749.70000113.5Y10 A53 D57 S58 Y59 L60 Y383Y10-T55 HydrophobicContact CD1-CG2 4.43Å; Y10-T55 HydrophobicContact CG-CG2 4.47Å; A53-T55 PolarHBondContact O-N 3.13Å; T55-D57 PolarHBondContact O-N 3.5Å; T55-S58 CarbonylContact O-C 3.54Å; T55-S58 PolarHBondContact O-N 2.85Å; T55-S58 VanDerWaalsContact O-N 3.14Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.12Å; T55-L60 WeakPolarHBondContact O-CB 3.46Å; T55-L60 PolarHBondContact O-N 2.84Å; T55-Y383 HydrophobicContact CG2-CD1 3.86Å; T55-Y383 HydrophobicContact CG2-CE1 3.64Å
56R76.7Confident79.9Confident182 Ų18246.9 Ų46.969%0.68724%0.244SC*.G310 helixtrans-57.6-33.4176-175.1-177.764.7-162.8-4.4112.9P54 R61P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 3.2Å; R56-R61 WeakPolarHBondContact O-CD 3.32Å
57D78.3Confident80.6Confident50 Ų5048.2 Ų48.227%0.26725%0.251SS..G310 helixtrans-97.61.3-174.7-53.6-29.2000111.1P52 P54 T55 R61P52-D57 WeakPolarHBondContact CD-O 3.47Å; P52-D57 HydrophobicContact CG-CB 3.6Å; P54-D57 PolarHBondContact O-N 2.82Å; T55-D57 PolarHBondContact O-N 3.5Å; D57-R61 VanDerWaalsContact C-CG 3.42Å; D57-R61 WeakPolarHBondContact O-CG 3.26Å
58S78.6Confident81.1Confident0 Ų047.2 Ų47.20%024%0.243CC..THydrogen-bonded Turntrans-142.8-86.4-176.953.10000114.8P32 P52 P54 T55 L60 R61P32-S58 WeakPolarHBondContact CG-OG 3.41Å; P52-S58 WeakPolarHBondContact O-CB 3.09Å; P52-S58 PolarHBondContact O-OG 3.03Å; P54-S58 PolarHBondContact O-N 3.46Å; P54-S58 PolarHBondContact O-OG 3.42Å; T55-S58 CarbonylContact O-C 3.54Å; T55-S58 PolarHBondContact O-N 2.85Å; T55-S58 VanDerWaalsContact O-N 3.14Å; S58-L60 PolarHBondContact O-N 3.49Å; S58-L60 VanDerWaalsContact O-N 3.08Å; S58-R61 VanDerWaalsContact O-CB 3.28Å; S58-R61 WeakPolarHBondContact O-CB 3.49Å; S58-R61 PolarHBondContact O-N 3.4Å
59Y79.1Confident81.6Confident4 Ų445.9 Ų45.92%0.01623%0.234CC..THydrogen-bonded Turntrans-55.4-32-175.7-178.7-106.2000113A12 F14 T55 P79 G82 F83 L84A12-Y59 HydrophobicContact CB-CD2 3.67Å; A12-Y59 HydrophobicContact CB-CG 4.06Å; F14-Y59 HydrophobicContact CE1-CE2 4.14Å; F14-Y59 AromaticContact CE2-CD2 3.56Å; F14-Y59 HydrophobicContact CE2-CD2 3.56Å; F14-Y59 AromaticContact CE2-CE2 3.74Å; F14-Y59 HydrophobicContact CE2-CE2 3.74Å; F14-Y59 AromaticContact CZ-CD2 3.59Å; F14-Y59 HydrophobicContact CZ-CD2 3.59Å; F14-Y59 AromaticContact CZ-CE2 3.38Å; F14-Y59 HydrophobicContact CZ-CE2 3.38Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.12Å; Y59-P79 PolarHBondContact OH-O 2.6Å; Y59-P79 VanDerWaalsContact OH-O 3.1Å; Y59-G82 WeakPolarHBondContact OH-CA 3.34Å; Y59-G82 PolarHBondContact OH-N 2.86Å; Y59-G82 PolarHBondContact OH-O 3.05Å; Y59-F83 HydrophobicContact CE1-CB 4.02Å; Y59-F83 VanDerWaalsContact CE1-N 3.35Å; Y59-L84 HydrophobicContact CE1-CB 4.17Å; Y59-L84 HydrophobicContact CE1-CG 4.13Å; Y59-L84 WeakPolarHBondContact O-CD1 3.45Å; Y59-L84 PolarHBondContact OH-N 2.87Å; Y59-L84 VanDerWaalsContact OH-N 3.16Å
60L84.8Confident81.8Confident65 Ų6551.1 Ų51.134%0.3425%0.249SC..THydrogen-bonded Turntrans-88.2-0.8179-61.1178000113.5T55 S58 M62 F83 L84T55-L60 WeakPolarHBondContact O-CB 3.46Å; T55-L60 PolarHBondContact O-N 2.84Å; S58-L60 PolarHBondContact O-N 3.49Å; S58-L60 VanDerWaalsContact O-N 3.08Å; L60-M62 PolarHBondContact O-N 3.24Å; L60-M62 VanDerWaalsContact O-N 3.11Å; L60-F83 HydrophobicContact CD2-CB 3.75Å; L60-F83 HydrophobicContact CD2-CD2 4.01Å; L60-F83 HydrophobicContact CD2-CG 4.27Å; L60-L84 HydrophobicContact CD2-CD2 4.41Å
61R85.9Confident82.2Confident89 Ų8955 Ų5534%0.33628%0.277SS..  trans-85.177.1178.5-65.5-62.6-59.4-90.6-0110.9R56 D57 S58 D63 K64 I65R56-R61 WeakPolarHBondContact O-CD 3.32Å; D57-R61 VanDerWaalsContact C-CG 3.42Å; D57-R61 WeakPolarHBondContact O-CG 3.26Å; S58-R61 VanDerWaalsContact O-CB 3.28Å; S58-R61 WeakPolarHBondContact O-CB 3.49Å; S58-R61 PolarHBondContact O-N 3.4Å; R61-D63 WeakPolarHBondContact CA-OD1 3.35Å; R61-D63 WeakPolarHBondContact CB-OD1 3.27Å; R61-D63 IonicContact CZ-OD1 3.69Å; R61-D63 IonicContact CZ-OD2 2.6Å; R61-D63 IonicContact NE-OD1 2.78Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.71Å; R61-D63 IonicContact NH2-OD1 2.68Å; R61-D63 IonicContact NH2-OD2 2.68Å; R61-D63 PolarHBondContact NH2-OD2 3.04Å; R61-D63 PolarHBondContact O-N 3.33Å; R61-K64 HydrophobicContact CB-CB 3.87Å; R61-K64 HydrophobicContact CB-CG 3.9Å; R61-K64 PolarHBondContact O-N 2.98Å; R61-I65 WeakPolarHBondContact O-CG1 3.43Å; R61-I65 PolarHBondContact O-N 3.19Å; R61-I65 VanDerWaalsContact O-N 3.1Å
62M90.1Very high82.4Confident41 Ų4154.4 Ų54.420%0.20227%0.27CS..Hα-helixtrans-52.3-39177.3-59.2-178.6-157.400111.9L60 K64 I65 L66 L84 N87 E89 F90 L93L60-M62 PolarHBondContact O-N 3.24Å; L60-M62 VanDerWaalsContact O-N 3.11Å; M62-K64 PolarHBondContact O-N 3.4Å; M62-I65 PolarHBondContact O-N 3Å; M62-L66 VanDerWaalsContact O-CG 3.27Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 3.36Å; M62-L84 HydrophobicContact CE-CD2 3.68Å; M62-L84 HydrophobicContact CG-CD1 4.01Å; M62-L84 HydrophobicContact CG-CD2 4.02Å; M62-L84 HydrophobicContact SD-CD2 4.49Å; M62-N87 WeakPolarHBondContact CE-OD1 3.39Å; M62-E89 HydrophobicContact SD-CG 4.29Å; M62-F90 HydrophobicContact CB-CD2 4.02Å; M62-F90 HydrophobicContact CE-CB 4.46Å; M62-F90 HydrophobicContact CG-CB 4.38Å; M62-F90 HydrophobicContact CG-CD2 3.81Å; M62-F90 HydrophobicContact CG-CG 4.43Å; M62-F90 HydrophobicContact SD-CB 3.94Å; M62-F90 HydrophobicContact SD-CD2 4.31Å; M62-L93 HydrophobicContact CB-CD1 4.46Å; M62-L93 HydrophobicContact SD-CD1 4.12Å
63D90.7Very high82.6Confident77 Ų7753.7 Ų53.741%0.41227%0.272SS..Hα-helixtrans-59-44.9176.763.3-51.9000112.5R61 I65 L66 E67R61-D63 WeakPolarHBondContact CA-OD1 3.35Å; R61-D63 WeakPolarHBondContact CB-OD1 3.27Å; R61-D63 IonicContact CZ-OD1 3.69Å; R61-D63 IonicContact CZ-OD2 2.6Å; R61-D63 IonicContact NE-OD1 2.78Å; R61-D63 PolarHBondContact NE-OD1 3.17Å; R61-D63 IonicContact NE-OD2 3.71Å; R61-D63 IonicContact NH2-OD1 2.68Å; R61-D63 IonicContact NH2-OD2 2.68Å; R61-D63 PolarHBondContact NH2-OD2 3.04Å; R61-D63 PolarHBondContact O-N 3.33Å; D63-I65 VanDerWaalsContact C-N 3.35Å; D63-L66 PolarHBondContact O-N 3.12Å; D63-E67 WeakPolarHBondContact O-CB 3.29Å; D63-E67 PolarHBondContact O-N 3.45Å
64K86.9Confident83.2Confident73 Ų7353.3 Ų53.332%0.31727%0.269SS..Hα-helixtrans-68.8-34.4177.9-70.3-75.8155-156.70112.3I50 R61 M62 E67 A68I50-K64 HydrophobicContact CB-CB 4.31Å; R61-K64 HydrophobicContact CB-CB 3.87Å; R61-K64 HydrophobicContact CB-CG 3.9Å; R61-K64 PolarHBondContact O-N 2.98Å; M62-K64 PolarHBondContact O-N 3.4Å; K64-E67 IonicContact NZ-OE2 2.76Å; K64-E67 PolarHBondContact NZ-OE2 3.01Å; K64-A68 PolarHBondContact O-N 2.86Å
65I86.6Confident83.7Confident0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-69-43.5176.3-65.1156.3000110.7F14 L30 I50 R61 M62 D63 E67 A68 V69 L84 F90F14-I65 HydrophobicContact CD2-CD1 4.28Å; F14-I65 HydrophobicContact CD2-CG1 4.29Å; F14-I65 HydrophobicContact CE1-CD1 4.01Å; F14-I65 HydrophobicContact CE2-CD1 3.39Å; F14-I65 HydrophobicContact CE2-CG1 3.82Å; F14-I65 HydrophobicContact CZ-CD1 3.25Å; F14-I65 HydrophobicContact CZ-CG1 4.1Å; L30-I65 HydrophobicContact CD1-CB 4.08Å; L30-I65 HydrophobicContact CD1-CG1 3.97Å; L30-I65 HydrophobicContact CD1-CG2 3.59Å; I50-I65 HydrophobicContact CD1-CG1 4.19Å; I50-I65 HydrophobicContact CG2-CG1 4.44Å; R61-I65 WeakPolarHBondContact O-CG1 3.43Å; R61-I65 PolarHBondContact O-N 3.19Å; R61-I65 VanDerWaalsContact O-N 3.1Å; M62-I65 PolarHBondContact O-N 3Å; D63-I65 VanDerWaalsContact C-N 3.35Å; I65-E67 VanDerWaalsContact C-N 3.34Å; I65-E67 PolarHBondContact O-N 3.09Å; I65-A68 WeakPolarHBondContact O-CB 3.42Å; I65-A68 PolarHBondContact O-N 3.41Å; I65-V69 WeakPolarHBondContact O-CG2 3.27Å; I65-V69 PolarHBondContact O-N 3.11Å; I65-L84 HydrophobicContact CD1-CD1 3.48Å; I65-L84 VanDerWaalsContact CD1-CD1 3.48Å; I65-F90 HydrophobicContact CB-CE2 4.16Å; I65-F90 HydrophobicContact CB-CZ 4.44Å; I65-F90 HydrophobicContact CD1-CE2 4.25Å; I65-F90 HydrophobicContact CD1-CZ 4.35Å; I65-F90 HydrophobicContact CG2-CE2 3.74Å; I65-F90 HydrophobicContact CG2-CZ 3.62Å
66L88.8Confident84.4Confident34 Ų3454 Ų5418%0.17827%0.267CS..Hα-helixtrans-64.1-38.7175.6-68.6164000111.9M62 D63 A68 V69 K70 L93 L94 A97M62-L66 VanDerWaalsContact O-CG 3.27Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 3.36Å; D63-L66 PolarHBondContact O-N 3.12Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.18Å; L66-V69 PolarHBondContact O-N 3.41Å; L66-K70 WeakPolarHBondContact O-CB 3.39Å; L66-K70 PolarHBondContact O-N 3.26Å; L66-L93 HydrophobicContact CD1-CB 3.88Å; L66-L93 HydrophobicContact CD1-CD1 4.08Å; L66-L93 HydrophobicContact CD1-CG 4.39Å; L66-L93 HydrophobicContact CD2-CB 4.27Å; L66-L94 HydrophobicContact CD2-CD2 3.89Å; L66-L94 HydrophobicContact CD2-CG 4.36Å; L66-A97 HydrophobicContact CD2-CB 3.92Å
67E87.2Confident84.9Confident108 Ų10845.3 Ų45.351%0.50523%0.234SC..Hα-helixtrans-58.8-45172.1-174-179.2-177.200111.2D63 K64 I65 K70 S71D63-E67 WeakPolarHBondContact O-CB 3.29Å; D63-E67 PolarHBondContact O-N 3.45Å; K64-E67 IonicContact NZ-OE2 2.76Å; K64-E67 PolarHBondContact NZ-OE2 3.01Å; I65-E67 VanDerWaalsContact C-N 3.34Å; I65-E67 PolarHBondContact O-N 3.09Å; E67-K70 PolarHBondContact O-N 2.92Å; E67-S71 WeakPolarHBondContact O-CB 3.4Å; E67-S71 PolarHBondContact O-N 3.33Å; E67-S71 PolarHBondContact O-OG 2.94Å
68A85Confident85.4Confident3 Ų343.1 Ų43.13%0.02522%0.222CC..Hα-helixtrans-66.5-38.6176.900000112.7L30 V48 K64 I65 L66 K70 S71 T72L30-A68 HydrophobicContact CD1-CB 4.18Å; L30-A68 HydrophobicContact CD2-CB 3.4Å; L30-A68 VanDerWaalsContact CD2-CB 3.4Å; L30-A68 HydrophobicContact CG-CB 4.46Å; V48-A68 HydrophobicContact CB-CB 4.29Å; V48-A68 HydrophobicContact CG1-CB 3.86Å; K64-A68 PolarHBondContact O-N 2.86Å; I65-A68 WeakPolarHBondContact O-CB 3.42Å; I65-A68 PolarHBondContact O-N 3.41Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.18Å; A68-K70 VanDerWaalsContact C-N 3.32Å; A68-K70 PolarHBondContact O-N 2.91Å; A68-S71 WeakPolarHBondContact CA-OG 3.44Å; A68-S71 PolarHBondContact O-N 3.17Å; A68-S71 PolarHBondContact O-OG 2.83Å; A68-T72 WeakPolarHBondContact O-CB 3.37Å; A68-T72 WeakPolarHBondContact O-CG2 3.4Å; A68-T72 PolarHBondContact O-N 3.26Å; A68-T72 PolarHBondContact O-OG1 2.96Å
69V85.6Confident85.8Confident5 Ų543.3 Ų43.33%0.0322%0.224CC..Hα-helixtrans-58.8-47.1173.3164.10000110.4I65 L66 T72 G73 A74 V77 L94 A99I65-V69 WeakPolarHBondContact O-CG2 3.27Å; I65-V69 PolarHBondContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 3.41Å; V69-T72 PolarHBondContact O-OG1 2.9Å; V69-G73 PolarHBondContact O-N 2.87Å; V69-G73 VanDerWaalsContact O-N 3.07Å; V69-A74 HydrophobicContact CB-CB 4.21Å; V69-A74 HydrophobicContact CG1-CB 4.02Å; V69-A74 HydrophobicContact CG2-CB 4.23Å; V69-A74 PolarHBondContact O-N 2.83Å; V69-V77 HydrophobicContact CG2-CG2 3.51Å; V69-L94 HydrophobicContact CG2-CD2 4.11Å; V69-A99 HydrophobicContact CG1-CB 3.62Å
70K86.5Confident86Confident183 Ų18343.3 Ų43.380%0.79622%0.224SC*.Hα-helixtrans-65.4-45.6179.7-173.5177.9-179.7179.70112.5L66 E67 A68 G73L66-K70 WeakPolarHBondContact O-CB 3.39Å; L66-K70 PolarHBondContact O-N 3.26Å; E67-K70 PolarHBondContact O-N 2.92Å; A68-K70 VanDerWaalsContact C-N 3.32Å; A68-K70 PolarHBondContact O-N 2.91Å; K70-G73 PolarHBondContact O-N 2.76Å
71S84.6Confident85.7Confident88 Ų8840.5 Ų40.562%0.61521%0.21SC*.Hα-helixtrans-69.7-36-176.865.10000112.8E67 A68E67-S71 WeakPolarHBondContact O-CB 3.4Å; E67-S71 PolarHBondContact O-N 3.33Å; E67-S71 PolarHBondContact O-OG 2.94Å; A68-S71 WeakPolarHBondContact CA-OG 3.44Å; A68-S71 PolarHBondContact O-N 3.17Å; A68-S71 PolarHBondContact O-OG 2.83Å
72T80.8Confident85.2Confident5 Ų536.5 Ų36.53%0.03120%0.196CC..Hα-helixtrans-82.5-18.9179.759.70000112.8R18 Y28 V48 A68 V69 A74R18-T72 WeakPolarHBondContact CD-O 3.17Å; R18-T72 PolarHBondContact NE-O 2.91Å; Y28-T72 HydrophobicContact CD1-CG2 3.4Å; Y28-T72 VanDerWaalsContact CD1-CG2 3.4Å; Y28-T72 VanDerWaalsContact CE1-CB 3.47Å; Y28-T72 HydrophobicContact CE1-CG2 3.49Å; Y28-T72 VanDerWaalsContact CE1-CG2 3.49Å; Y28-T72 HydrophobicContact CG-CG2 4.39Å; V48-T72 HydrophobicContact CG2-CG2 3.71Å; A68-T72 WeakPolarHBondContact O-CB 3.37Å; A68-T72 WeakPolarHBondContact O-CG2 3.4Å; A68-T72 PolarHBondContact O-N 3.26Å; A68-T72 PolarHBondContact O-OG1 2.96Å; V69-T72 PolarHBondContact O-OG1 2.9Å; T72-A74 VanDerWaalsContact C-N 3.3Å; T72-A74 WeakPolarHBondContact OG1-CB 3.33Å; T72-A74 PolarHBondContact OG1-N 2.93Å
73G80.9Confident84.8Confident40 Ų4038.3 Ų38.341%0.41220%0.203SC..THydrogen-bonded Turntrans71.827.9-171.200000112.5V69 K70V69-G73 PolarHBondContact O-N 2.87Å; V69-G73 VanDerWaalsContact O-N 3.07Å; K70-G73 PolarHBondContact O-N 2.76Å
74A82.9Confident84.6Confident9 Ų934.7 Ų34.77%0.07418%0.184CC..  trans-58.2134.8176.100000113V16 V69 T72V16-A74 HydrophobicContact CB-CB 4.47Å; V16-A74 HydrophobicContact CG1-CB 2.97Å; V69-A74 HydrophobicContact CB-CB 4.21Å; V69-A74 HydrophobicContact CG1-CB 4.02Å; V69-A74 HydrophobicContact CG2-CB 4.23Å; V69-A74 PolarHBondContact O-N 2.83Å; T72-A74 VanDerWaalsContact C-N 3.3Å; T72-A74 WeakPolarHBondContact OG1-CB 3.33Å; T72-A74 PolarHBondContact OG1-N 2.93Å
75Q85.4Confident84.6Confident78 Ų7831.3 Ų31.336%0.36417%0.169SC..SBendtrans-100-16.6179.5-57.3-177.9-57.500112.6L17 R18 A99 V100L17-Q75 PolarHBondContact O-N 2.99Å; R18-Q75 VanDerWaalsContact O-CD 3.27Å; R18-Q75 WeakPolarHBondContact O-CG 3.38Å; R18-Q75 PolarHBondContact O-OE1 3.36Å; R18-Q75 VanDerWaalsContact O-OE1 3.09Å; Q75-A99 CarbonylContact O-C 3.47Å; Q75-A99 WeakPolarHBondContact O-CA 3.48Å; Q75-V100 PolarHBondContact O-N 3.27Å
76A86.6Confident84.5Confident0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-156.3156.617800000112.8V16 L17 W20 V100 I102V16-A76 WeakPolarHBondContact CA-O 3.3Å; L17-A76 HydrophobicContact CB-CB 4.49Å; L17-A76 PolarHBondContact N-O 3.49Å; L17-A76 PolarHBondContact O-N 3.17Å; W20-A76 HydrophobicContact CZ2-CB 3.3Å; A76-V100 CarbonylContact C-O 3.52Å; A76-V100 WeakPolarHBondContact CA-O 3.43Å; A76-V100 HydrophobicContact CB-CB 3.91Å; A76-V100 WeakPolarHBondContact CB-O 3.43Å; A76-I102 HydrophobicContact CB-CD1 3.87Å; A76-I102 HydrophobicContact CB-CG1 4Å
77V88.6Confident84.5Confident0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-132.9120.3-176.2179.80000109.9F14 V16 V69 P79 F90 L94 V100 I102F14-V77 HydrophobicContact CB-CG1 4.24Å; F14-V77 HydrophobicContact CD1-CG1 3.5Å; F14-V77 VanDerWaalsContact CD1-CG1 3.5Å; F14-V77 HydrophobicContact CE1-CG1 4.35Å; F14-V77 HydrophobicContact CG-CG1 4.26Å; V16-V77 HydrophobicContact CG2-CG1 4.29Å; V16-V77 HydrophobicContact CG2-CG2 4.11Å; V69-V77 HydrophobicContact CG2-CG2 3.51Å; V77-P79 WeakPolarHBondContact O-CD 3.42Å; V77-F90 HydrophobicContact CG1-CE1 4.38Å; V77-F90 HydrophobicContact CG1-CZ 4.23Å; V77-L94 HydrophobicContact CB-CD1 3.85Å; V77-L94 HydrophobicContact CB-CD2 4.22Å; V77-L94 HydrophobicContact CG1-CD1 4.17Å; V77-L94 HydrophobicContact CG2-CD1 4.19Å; V77-L94 HydrophobicContact CG2-CD2 3.61Å; V77-V100 PolarHBondContact N-O 3.17Å; V77-I102 PolarHBondContact O-N 3.38Å
78H88.8Confident84.7Confident4 Ų432.3 Ų32.32%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-95.6112.8166-169.6-15.9000109.7W5 F14 V15 G80 I102W5-H78 AromaticContact CZ2-CD2 3.84Å; W5-H78 AromaticContact CZ2-CE1 3.86Å; W5-H78 AromaticContact CZ2-NE2 3.69Å; F14-H78 WeakPolarHBondContact CA-O 3.47Å; V15-H78 HydrophobicContact CB-CB 4.31Å; V15-H78 PolarHBondContact N-O 2.77Å; V15-H78 PolarHBondContact O-N 3.36Å; H78-G80 PolarHBondContact ND1-N 2.68Å; H78-G80 VanDerWaalsContact ND1-N 3.11Å; H78-G80 PolarHBondContact O-N 3.3Å; H78-I102 HydrophobicContact CB-CB 4.03Å; H78-I102 HydrophobicContact CB-CD1 4.11Å; H78-I102 HydrophobicContact CB-CG2 4.37Å
79P86.2Confident84.9Confident4 Ų436.1 Ų36.13%0.02619%0.194CC..  trans-80.35.9-176.436-42.3000114.5F14 Y59 V77 Y81 S85 F90 F101F14-P79 HydrophobicContact CD1-CB 4.34Å; F14-P79 HydrophobicContact CE1-CB 4.02Å; Y59-P79 PolarHBondContact OH-O 2.6Å; Y59-P79 VanDerWaalsContact OH-O 3.1Å; V77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-Y81 PolarHBondContact O-N 3.2Å; P79-S85 VanDerWaalsContact CG-CA 3.5Å; P79-F90 HydrophobicContact CB-CE1 4.35Å; P79-F101 HydrophobicContact CB-CE2 4.18Å; P79-F101 HydrophobicContact CG-CD2 4.39Å; P79-F101 HydrophobicContact CG-CE2 3.55Å; P79-F101 HydrophobicContact CG-CZ 3.84Å
80G82.5Confident85.2Confident3 Ų335.9 Ų35.93%0.03119%0.193CC..THydrogen-bonded Turntrans60.1-126.5-166.900000112.7H78 S85H78-G80 PolarHBondContact ND1-N 2.68Å; H78-G80 VanDerWaalsContact ND1-N 3.11Å; H78-G80 PolarHBondContact O-N 3.3Å; G80-S85 VanDerWaalsContact O-CB 3.26Å; G80-S85 WeakPolarHBondContact O-CB 3.34Å
81Y78.4Confident85.4Confident7 Ų727.2 Ų27.23%0.02716%0.155CC..THydrogen-bonded Turntrans-136.423.9-175.347.4-95.4000112.4W5 C6 P7 R9 P79 S85 L292 V294W5-Y81 HydrophobicContact CD2-CE1 4.29Å; W5-Y81 HydrophobicContact CE3-CD1 4.36Å; W5-Y81 AromaticContact CE3-CE1 3.56Å; W5-Y81 HydrophobicContact CE3-CE1 3.56Å; W5-Y81 HydrophobicContact CZ3-CD1 4.37Å; W5-Y81 AromaticContact CZ3-CE1 3.86Å; W5-Y81 HydrophobicContact CZ3-CE1 3.86Å; C6-Y81 PolarHBondContact O-OH 3.34Å; P7-Y81 WeakPolarHBondContact CA-OH 3.32Å; P7-Y81 PolarHBondContact O-OH 3.37Å; R9-Y81 HydrophobicContact CB-CE2 4.16Å; R9-Y81 HydrophobicContact CG-CD2 3.68Å; R9-Y81 HydrophobicContact CG-CE2 3.73Å; P79-Y81 PolarHBondContact O-N 3.2Å; Y81-S85 VanDerWaalsContact C-OG 3.24Å; Y81-S85 VanDerWaalsContact CA-OG 3.27Å; Y81-S85 WeakPolarHBondContact CA-OG 3.26Å; Y81-L292 WeakPolarHBondContact CB-O 3.26Å; Y81-V294 HydrophobicContact CD2-CG2 3.86Å; Y81-V294 HydrophobicContact CE2-CG2 3.98Å
82G77.2Confident85.7Confident5 Ų527 Ų275%0.05214%0.141CC..SBendtrans-89.1-172.8174.200000112.7Y59 L84 S85Y59-G82 WeakPolarHBondContact OH-CA 3.34Å; Y59-G82 PolarHBondContact OH-N 2.86Å; Y59-G82 PolarHBondContact OH-O 3.05Å; G82-L84 VanDerWaalsContact C-N 3.25Å; G82-L84 PolarHBondContact O-N 3.41Å; G82-L84 VanDerWaalsContact O-N 3.1Å; G82-S85 PolarHBondContact N-OG 3.49Å; G82-S85 WeakPolarHBondContact O-CB 3.39Å; G82-S85 PolarHBondContact O-N 3.04Å; G82-S85 PolarHBondContact O-OG 3.48Å
83F79.9Confident86.2Confident78 Ų7828.7 Ų28.734%0.34215%0.15SC..G310 helixtrans-53.9-30.1-177.2-62-60000116.2Y10 Y59 L60 S85Y10-F83 AromaticContact CD1-CD2 3.93Å; Y10-F83 HydrophobicContact CD1-CD2 3.93Å; Y10-F83 AromaticContact CD1-CE2 3.93Å; Y10-F83 HydrophobicContact CD1-CE2 3.93Å; Y10-F83 HydrophobicContact CE1-CD1 4.45Å; Y10-F83 AromaticContact CE1-CD2 3.3Å; Y10-F83 HydrophobicContact CE1-CD2 3.3Å; Y10-F83 HydrophobicContact CE1-CE1 4.39Å; Y10-F83 AromaticContact CE1-CE2 3.23Å; Y10-F83 HydrophobicContact CE1-CE2 3.23Å; Y10-F83 AromaticContact CE1-CG 3.96Å; Y10-F83 HydrophobicContact CE1-CG 3.96Å; Y10-F83 AromaticContact CE1-CZ 3.84Å; Y10-F83 HydrophobicContact CE1-CZ 3.84Å; Y10-F83 AromaticContact CZ-CE2 3.75Å; Y10-F83 AromaticContact CZ-CZ 3.91Å; Y10-F83 WeakPolarHBondContact OH-CZ 3.42Å; Y59-F83 HydrophobicContact CE1-CB 4.02Å; Y59-F83 VanDerWaalsContact CE1-N 3.35Å; L60-F83 HydrophobicContact CD2-CB 3.75Å; L60-F83 HydrophobicContact CD2-CD2 4.01Å; L60-F83 HydrophobicContact CD2-CG 4.27Å; F83-S85 VanDerWaalsContact C-N 3.31Å
84L87.1Confident86.7Confident2 Ų226.8 Ų26.81%0.0113%0.13CC..G310 helixtrans-82.1-10.9177.9-68.4-161.2000113.1F14 Y59 L60 M62 I65 G82 E86 N87 F90F14-L84 HydrophobicContact CE1-CB 4.44Å; F14-L84 HydrophobicContact CE1-CD1 4.34Å; F14-L84 HydrophobicContact CZ-CB 4.42Å; F14-L84 HydrophobicContact CZ-CD1 3.87Å; Y59-L84 HydrophobicContact CE1-CB 4.17Å; Y59-L84 HydrophobicContact CE1-CG 4.13Å; Y59-L84 WeakPolarHBondContact O-CD1 3.45Å; Y59-L84 PolarHBondContact OH-N 2.87Å; Y59-L84 VanDerWaalsContact OH-N 3.16Å; L60-L84 HydrophobicContact CD2-CD2 4.41Å; M62-L84 HydrophobicContact CE-CD2 3.68Å; M62-L84 HydrophobicContact CG-CD1 4.01Å; M62-L84 HydrophobicContact CG-CD2 4.02Å; M62-L84 HydrophobicContact SD-CD2 4.49Å; I65-L84 HydrophobicContact CD1-CD1 3.48Å; I65-L84 VanDerWaalsContact CD1-CD1 3.48Å; G82-L84 VanDerWaalsContact C-N 3.25Å; G82-L84 PolarHBondContact O-N 3.41Å; G82-L84 VanDerWaalsContact O-N 3.1Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 3.41Å; L84-N87 HydrophobicContact CD2-CB 4.13Å; L84-F90 HydrophobicContact CB-CD1 3.79Å; L84-F90 HydrophobicContact CB-CE1 4.13Å; L84-F90 HydrophobicContact CB-CG 4.25Å; L84-F90 HydrophobicContact CD1-CD1 4.16Å; L84-F90 HydrophobicContact CD1-CD2 3.99Å; L84-F90 HydrophobicContact CD1-CE1 4.23Å; L84-F90 HydrophobicContact CD1-CE2 4.07Å; L84-F90 HydrophobicContact CD1-CG 4.03Å; L84-F90 HydrophobicContact CD1-CZ 4.18Å; L84-F90 HydrophobicContact CD2-CB 4.33Å; L84-F90 HydrophobicContact CD2-CG 4.45Å; L84-F90 HydrophobicContact CG-CD1 4.48Å; L84-F90 HydrophobicContact CG-CG 4.5Å; L84-F90 WeakPolarHBondContact O-CD1 3.44Å
85S87.4Confident86.9Confident2 Ų230.8 Ų30.81%0.01415%0.154CC..G310 helixtrans-76.5-15.7178.9680000114.5P79 G80 Y81 G82 F83 R291P79-S85 VanDerWaalsContact CG-CA 3.5Å; G80-S85 VanDerWaalsContact O-CB 3.26Å; G80-S85 WeakPolarHBondContact O-CB 3.34Å; Y81-S85 VanDerWaalsContact C-OG 3.24Å; Y81-S85 VanDerWaalsContact CA-OG 3.27Å; Y81-S85 WeakPolarHBondContact CA-OG 3.26Å; G82-S85 PolarHBondContact N-OG 3.49Å; G82-S85 WeakPolarHBondContact O-CB 3.39Å; G82-S85 PolarHBondContact O-N 3.04Å; G82-S85 PolarHBondContact O-OG 3.48Å; F83-S85 VanDerWaalsContact C-N 3.31Å; S85-R291 WeakPolarHBondContact OG-CD 3.17Å
86E84.6Confident87.1Confident76 Ų7633 Ų3336%0.35516%0.164SC..G310 helixtrans-121.620.3176.364.9-163176.700111.3L84 I109 R291L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 3.41Å; E86-I109 WeakPolarHBondContact O-CG2 3.44Å; E86-R291 WeakPolarHBondContact OE2-CD 3.27Å; E86-R291 IonicContact OE2-CZ 3.61Å; E86-R291 IonicContact OE2-NE 3.41Å; E86-R291 PolarHBondContact OE2-NE 3.16Å; E86-R291 IonicContact OE2-NH2 2.66Å
87N89Confident87.2Confident47 Ų4735.8 Ų35.825%0.25119%0.187SC..  trans-98.6111.5-176.2-171.5-74.8000111.4M62 L84 E89 F90 A91M62-N87 WeakPolarHBondContact CE-OD1 3.39Å; L84-N87 HydrophobicContact CD2-CB 4.13Å; N87-E89 VanDerWaalsContact C-N 3.3Å; N87-E89 PolarHBondContact O-N 3.02Å; N87-E89 WeakPolarHBondContact OD1-CB 2.9Å; N87-E89 PolarHBondContact OD1-N 2.65Å; N87-E89 VanDerWaalsContact OD1-N 3.11Å; N87-F90 HydrophobicContact CB-CB 4.04Å; N87-F90 PolarHBondContact O-N 3.47Å; N87-F90 PolarHBondContact OD1-N 3.23Å; N87-A91 PolarHBondContact O-N 3.2Å
88T90Very high87.1Confident40 Ų4038.9 Ų38.925%0.24522%0.218CC..Hα-helixtrans-55-44.1180-54.90000112.6A91 R92 I109 L110T88-A91 PolarHBondContact O-N 3.38Å; T88-R92 PolarHBondContact O-N 3.5Å; T88-I109 WeakPolarHBondContact OG1-CG2 3.19Å; T88-L110 HydrophobicContact CG2-CB 3.86Å; T88-L110 HydrophobicContact CG2-CD1 4.31Å; T88-L110 HydrophobicContact CG2-CG 4.49Å; T88-L110 PolarHBondContact OG1-N 3.01Å
89E90.4Very high87Confident82 Ų8238.8 Ų38.838%0.38322%0.218SC..Hα-helixtrans-67.4-42.2-175.4177.360.9-176.600111.1M62 N87 A91 R92 L93M62-E89 HydrophobicContact SD-CG 4.29Å; N87-E89 VanDerWaalsContact C-N 3.3Å; N87-E89 PolarHBondContact O-N 3.02Å; N87-E89 WeakPolarHBondContact OD1-CB 2.9Å; N87-E89 PolarHBondContact OD1-N 2.65Å; N87-E89 VanDerWaalsContact OD1-N 3.11Å; E89-A91 PolarHBondContact O-N 2.86Å; E89-R92 VanDerWaalsContact CD-NH2 3.31Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 2.84Å; E89-R92 IonicContact OE1-CZ 3.34Å; E89-R92 IonicContact OE1-NE 3.65Å; E89-R92 IonicContact OE1-NH2 2.64Å; E89-R92 PolarHBondContact OE1-NH2 3.03Å; E89-R92 IonicContact OE2-CZ 2.94Å; E89-R92 IonicContact OE2-NE 3.18Å; E89-R92 PolarHBondContact OE2-NE 3.32Å; E89-R92 IonicContact OE2-NH2 3.9Å; E89-R92 PolarHBondContact OE2-NH2 2.87Å; E89-L93 HydrophobicContact CG-CD1 3.95Å; E89-L93 HydrophobicContact CG-CG 4.39Å; E89-L93 WeakPolarHBondContact O-CB 3.39Å; E89-L93 VanDerWaalsContact O-CG 3.26Å; E89-L93 WeakPolarHBondContact O-CG 3.25Å; E89-L93 PolarHBondContact O-N 2.84Å
90F91.4Very high87.2Confident0 Ų041.1 Ų41.10%023%0.233CC..Hα-helixtrans-63.3-42.8176.9-175.5-119000112.6F14 M62 I65 V77 P79 L84 N87 R92 L93 L94 F101F14-F90 HydrophobicContact CD1-CZ 4.38Å; F14-F90 AromaticContact CE1-CE1 3.84Å; F14-F90 HydrophobicContact CE1-CE1 3.84Å; F14-F90 AromaticContact CE1-CZ 3.82Å; F14-F90 HydrophobicContact CE1-CZ 3.82Å; M62-F90 HydrophobicContact CB-CD2 4.02Å; M62-F90 HydrophobicContact CE-CB 4.46Å; M62-F90 HydrophobicContact CG-CB 4.38Å; M62-F90 HydrophobicContact CG-CD2 3.81Å; M62-F90 HydrophobicContact CG-CG 4.43Å; M62-F90 HydrophobicContact SD-CB 3.94Å; M62-F90 HydrophobicContact SD-CD2 4.31Å; I65-F90 HydrophobicContact CB-CE2 4.16Å; I65-F90 HydrophobicContact CB-CZ 4.44Å; I65-F90 HydrophobicContact CD1-CE2 4.25Å; I65-F90 HydrophobicContact CD1-CZ 4.35Å; I65-F90 HydrophobicContact CG2-CE2 3.74Å; I65-F90 HydrophobicContact CG2-CZ 3.62Å; V77-F90 HydrophobicContact CG1-CE1 4.38Å; V77-F90 HydrophobicContact CG1-CZ 4.23Å; P79-F90 HydrophobicContact CB-CE1 4.35Å; L84-F90 HydrophobicContact CB-CD1 3.79Å; L84-F90 HydrophobicContact CB-CE1 4.13Å; L84-F90 HydrophobicContact CB-CG 4.25Å; L84-F90 HydrophobicContact CD1-CD1 4.16Å; L84-F90 HydrophobicContact CD1-CD2 3.99Å; L84-F90 HydrophobicContact CD1-CE1 4.23Å; L84-F90 HydrophobicContact CD1-CE2 4.07Å; L84-F90 HydrophobicContact CD1-CG 4.03Å; L84-F90 HydrophobicContact CD1-CZ 4.18Å; L84-F90 HydrophobicContact CD2-CB 4.33Å; L84-F90 HydrophobicContact CD2-CG 4.45Å; L84-F90 HydrophobicContact CG-CD1 4.48Å; L84-F90 HydrophobicContact CG-CG 4.5Å; L84-F90 WeakPolarHBondContact O-CD1 3.44Å; N87-F90 HydrophobicContact CB-CB 4.04Å; N87-F90 PolarHBondContact O-N 3.47Å; N87-F90 PolarHBondContact OD1-N 3.23Å; F90-R92 VanDerWaalsContact C-N 3.33Å; F90-R92 PolarHBondContact O-N 3.3Å; F90-L93 PolarHBondContact O-N 2.83Å; F90-L94 HydrophobicContact CD1-CD1 3.98Å; F90-L94 HydrophobicContact CE1-CD1 3.49Å; F90-L94 VanDerWaalsContact CE1-CD1 3.49Å; F90-L94 HydrophobicContact CE1-CG 4.41Å; F90-L94 HydrophobicContact CE2-CD1 4.07Å; F90-L94 HydrophobicContact CE2-CD2 4.46Å; F90-L94 HydrophobicContact CE2-CG 4.12Å; F90-L94 HydrophobicContact CG-CD1 4.47Å; F90-L94 HydrophobicContact CZ-CD1 3.54Å; F90-L94 HydrophobicContact CZ-CD2 4.36Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 2.91Å; F90-F101 HydrophobicContact CD1-CD2 4.36Å; F90-F101 HydrophobicContact CD1-CE2 4.03Å; F90-F101 HydrophobicContact CE1-CD2 4.48Å; F90-F101 HydrophobicContact CE1-CE2 4.34Å
91A90.3Very high87.7Confident1 Ų141.7 Ų41.71%0.00823%0.234CC..Hα-helixtrans-62.7-39.9175.800000112.2N87 T88 E89 T95 F101 I109N87-A91 PolarHBondContact O-N 3.2Å; T88-A91 PolarHBondContact O-N 3.38Å; E89-A91 PolarHBondContact O-N 2.86Å; A91-T95 PolarHBondContact O-N 3.34Å; A91-T95 PolarHBondContact O-OG1 3.46Å; A91-F101 HydrophobicContact CB-CB 4.38Å; A91-F101 HydrophobicContact CB-CD1 3.9Å; A91-F101 HydrophobicContact CB-CD2 4.13Å; A91-F101 HydrophobicContact CB-CE1 4.12Å; A91-F101 HydrophobicContact CB-CE2 4.31Å; A91-F101 HydrophobicContact CB-CG 3.89Å; A91-F101 HydrophobicContact CB-CZ 4.31Å; A91-I109 HydrophobicContact CB-CD1 3.84Å
92R90.5Very high88.3Confident85 Ų8541.5 Ų41.532%0.32123%0.234SC..Hα-helixtrans-62.6-51174.4-173.8-169.770.279.45.2111.3T88 E89 F90 L94 T95 E96T88-R92 PolarHBondContact O-N 3.5Å; E89-R92 VanDerWaalsContact CD-NH2 3.31Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 2.84Å; E89-R92 IonicContact OE1-CZ 3.34Å; E89-R92 IonicContact OE1-NE 3.65Å; E89-R92 IonicContact OE1-NH2 2.64Å; E89-R92 PolarHBondContact OE1-NH2 3.03Å; E89-R92 IonicContact OE2-CZ 2.94Å; E89-R92 IonicContact OE2-NE 3.18Å; E89-R92 PolarHBondContact OE2-NE 3.32Å; E89-R92 IonicContact OE2-NH2 3.9Å; E89-R92 PolarHBondContact OE2-NH2 2.87Å; F90-R92 VanDerWaalsContact C-N 3.33Å; F90-R92 PolarHBondContact O-N 3.3Å; R92-L94 VanDerWaalsContact C-N 3.32Å; R92-L94 PolarHBondContact O-N 2.87Å; R92-T95 WeakPolarHBondContact O-CB 3.45Å; R92-T95 PolarHBondContact O-N 2.87Å; R92-T95 VanDerWaalsContact O-N 3.12Å; R92-E96 IonicContact CZ-OE1 2.62Å; R92-E96 IonicContact CZ-OE2 3.02Å; R92-E96 IonicContact NH1-OE1 3.93Å; R92-E96 PolarHBondContact NH1-OE1 3.43Å; R92-E96 IonicContact NH1-OE2 2.9Å; R92-E96 PolarHBondContact NH1-OE2 3.46Å; R92-E96 PolarHBondContact O-N 2.84Å
93L92.1Very high89Confident39 Ų3941.6 Ų41.620%0.20424%0.235CC..Hα-helixtrans-60.5-39.2-178.6-73.1171000112.6M62 L66 E89 F90 E96 A97M62-L93 HydrophobicContact CB-CD1 4.46Å; M62-L93 HydrophobicContact SD-CD1 4.12Å; L66-L93 HydrophobicContact CD1-CB 3.88Å; L66-L93 HydrophobicContact CD1-CD1 4.08Å; L66-L93 HydrophobicContact CD1-CG 4.39Å; L66-L93 HydrophobicContact CD2-CB 4.27Å; E89-L93 HydrophobicContact CG-CD1 3.95Å; E89-L93 HydrophobicContact CG-CG 4.39Å; E89-L93 WeakPolarHBondContact O-CB 3.39Å; E89-L93 VanDerWaalsContact O-CG 3.26Å; E89-L93 WeakPolarHBondContact O-CG 3.25Å; E89-L93 PolarHBondContact O-N 2.84Å; F90-L93 PolarHBondContact O-N 2.83Å; L93-E96 PolarHBondContact O-N 2.85Å; L93-A97 WeakPolarHBondContact O-CB 3.49Å; L93-A97 PolarHBondContact O-N 3.28Å
94L90.9Very high89.6Confident0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-64-44174.7-77.2171.2000112L66 V69 V77 F90 R92 E96 A97 G98 A99 F101L66-L94 HydrophobicContact CD2-CD2 3.89Å; L66-L94 HydrophobicContact CD2-CG 4.36Å; V69-L94 HydrophobicContact CG2-CD2 4.11Å; V77-L94 HydrophobicContact CB-CD1 3.85Å; V77-L94 HydrophobicContact CB-CD2 4.22Å; V77-L94 HydrophobicContact CG1-CD1 4.17Å; V77-L94 HydrophobicContact CG2-CD1 4.19Å; V77-L94 HydrophobicContact CG2-CD2 3.61Å; F90-L94 HydrophobicContact CD1-CD1 3.98Å; F90-L94 HydrophobicContact CE1-CD1 3.49Å; F90-L94 VanDerWaalsContact CE1-CD1 3.49Å; F90-L94 HydrophobicContact CE1-CG 4.41Å; F90-L94 HydrophobicContact CE2-CD1 4.07Å; F90-L94 HydrophobicContact CE2-CD2 4.46Å; F90-L94 HydrophobicContact CE2-CG 4.12Å; F90-L94 HydrophobicContact CG-CD1 4.47Å; F90-L94 HydrophobicContact CZ-CD1 3.54Å; F90-L94 HydrophobicContact CZ-CD2 4.36Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 2.91Å; R92-L94 VanDerWaalsContact C-N 3.32Å; R92-L94 PolarHBondContact O-N 2.87Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 2.85Å; L94-A97 CarbonylContact O-C 3.46Å; L94-A97 PolarHBondContact O-N 2.93Å; L94-A97 VanDerWaalsContact O-N 3.16Å; L94-G98 PolarHBondContact O-N 3.17Å; L94-A99 CarbonylContact C-O 3.49Å; L94-A99 HydrophobicContact CD2-CB 4.08Å; L94-A99 PolarHBondContact O-N 2.89Å; L94-F101 HydrophobicContact CD1-CB 4.25Å; L94-F101 HydrophobicContact CD1-CD2 3.73Å; L94-F101 HydrophobicContact CD1-CG 4.49Å
95T87.9Confident89.8Confident93 Ų9340.1 Ų40.157%0.57123%0.231SC*.Hα-helixtrans-59.4-44.5177.9-56.30000110.9A91 R92 A97 G98A91-T95 PolarHBondContact O-N 3.34Å; A91-T95 PolarHBondContact O-OG1 3.46Å; R92-T95 WeakPolarHBondContact O-CB 3.45Å; R92-T95 PolarHBondContact O-N 2.87Å; R92-T95 VanDerWaalsContact O-N 3.12Å; T95-A97 VanDerWaalsContact C-N 3.34Å; T95-G98 PolarHBondContact O-N 3.29Å; T95-G98 VanDerWaalsContact O-N 3.13Å
96E89.5Confident89.9Confident126 Ų12642 Ų4259%0.58924%0.244SC*.Hα-helixtrans-67.4-32.9176.7-72.6174.4-174.300113.2R92 L93 L94 G98R92-E96 IonicContact CZ-OE1 2.62Å; R92-E96 IonicContact CZ-OE2 3.02Å; R92-E96 IonicContact NH1-OE1 3.93Å; R92-E96 PolarHBondContact NH1-OE1 3.43Å; R92-E96 IonicContact NH1-OE2 2.9Å; R92-E96 PolarHBondContact NH1-OE2 3.46Å; R92-E96 PolarHBondContact O-N 2.84Å; L93-E96 PolarHBondContact O-N 2.85Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 2.85Å; E96-G98 PolarHBondContact O-N 3.39Å
97A88.4Confident90.1Very high58 Ų5845.9 Ų45.948%0.47926%0.259SS..THydrogen-bonded Turntrans-75.2-2.1173.700000113.5L66 L93 L94 T95L66-A97 HydrophobicContact CD2-CB 3.92Å; L93-A97 WeakPolarHBondContact O-CB 3.49Å; L93-A97 PolarHBondContact O-N 3.28Å; L94-A97 CarbonylContact O-C 3.46Å; L94-A97 PolarHBondContact O-N 2.93Å; L94-A97 VanDerWaalsContact O-N 3.16Å; T95-A97 VanDerWaalsContact C-N 3.34Å
98G86.3Confident90.2Very high64 Ų6443.7 Ų43.766%0.6625%0.247SC*.THydrogen-bonded Turntrans78.316.2-178.500000114.5L94 T95 E96L94-G98 PolarHBondContact O-N 3.17Å; T95-G98 PolarHBondContact O-N 3.29Å; T95-G98 VanDerWaalsContact O-N 3.13Å; E96-G98 PolarHBondContact O-N 3.39Å
99A88.1Confident90.2Very high2 Ų241.8 Ų41.82%0.01724%0.236CC..  trans-108133.5175.900000111.4V69 Q75 L94 F101V69-A99 HydrophobicContact CG1-CB 3.62Å; Q75-A99 CarbonylContact O-C 3.47Å; Q75-A99 WeakPolarHBondContact O-CA 3.48Å; L94-A99 CarbonylContact C-O 3.49Å; L94-A99 HydrophobicContact CD2-CB 4.08Å; L94-A99 PolarHBondContact O-N 2.89Å; A99-F101 PolarHBondContact O-N 3.43Å
100V90.2Very high90.2Very high54 Ų5442.7 Ų42.733%0.32724%0.243SC..EExtended strand (participates in β ladder)trans-74.9123.3180-1790000110.5Q75 A76 V77 I102 A315Q75-V100 PolarHBondContact O-N 3.27Å; A76-V100 CarbonylContact C-O 3.52Å; A76-V100 WeakPolarHBondContact CA-O 3.43Å; A76-V100 HydrophobicContact CB-CB 3.91Å; A76-V100 WeakPolarHBondContact CB-O 3.43Å; V77-V100 PolarHBondContact N-O 3.17Å; V100-I102 PolarHBondContact O-N 3.13Å; V100-A315 HydrophobicContact CG1-CB 3.9Å
101F92Very high90Very high15 Ų1543 Ų437%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-72.9118.6167.3-179.8-104.9000110P79 F90 A91 L94 A99 G103 P104 I109P79-F101 HydrophobicContact CB-CE2 4.18Å; P79-F101 HydrophobicContact CG-CD2 4.39Å; P79-F101 HydrophobicContact CG-CE2 3.55Å; P79-F101 HydrophobicContact CG-CZ 3.84Å; F90-F101 HydrophobicContact CD1-CD2 4.36Å; F90-F101 HydrophobicContact CD1-CE2 4.03Å; F90-F101 HydrophobicContact CE1-CD2 4.48Å; F90-F101 HydrophobicContact CE1-CE2 4.34Å; A91-F101 HydrophobicContact CB-CB 4.38Å; A91-F101 HydrophobicContact CB-CD1 3.9Å; A91-F101 HydrophobicContact CB-CD2 4.13Å; A91-F101 HydrophobicContact CB-CE1 4.12Å; A91-F101 HydrophobicContact CB-CE2 4.31Å; A91-F101 HydrophobicContact CB-CG 3.89Å; A91-F101 HydrophobicContact CB-CZ 4.31Å; L94-F101 HydrophobicContact CD1-CB 4.25Å; L94-F101 HydrophobicContact CD1-CD2 3.73Å; L94-F101 HydrophobicContact CD1-CG 4.49Å; A99-F101 PolarHBondContact O-N 3.43Å; F101-G103 VanDerWaalsContact C-N 3.33Å; F101-G103 PolarHBondContact O-N 3.49Å; F101-G103 VanDerWaalsContact O-N 3.08Å; F101-P104 VanDerWaalsContact CD1-O 3.31Å; F101-P104 WeakPolarHBondContact CD1-O 3.26Å; F101-P104 WeakPolarHBondContact CE1-O 3.4Å; F101-I109 HydrophobicContact CE1-CD1 3.81Å; F101-I109 HydrophobicContact CZ-CD1 4.19Å
102I91.6Very high90Very high2 Ų243.5 Ų43.51%0.0125%0.248CC..SBendtrans-85.583.2177.4-53.8178.4000108.2L17 W20 A76 V77 H78 V100 M311 I312 A315L17-I102 HydrophobicContact CD1-CD1 3.94Å; W20-I102 HydrophobicContact CZ2-CD1 4.2Å; A76-I102 HydrophobicContact CB-CD1 3.87Å; A76-I102 HydrophobicContact CB-CG1 4Å; V77-I102 PolarHBondContact O-N 3.38Å; H78-I102 HydrophobicContact CB-CB 4.03Å; H78-I102 HydrophobicContact CB-CD1 4.11Å; H78-I102 HydrophobicContact CB-CG2 4.37Å; V100-I102 PolarHBondContact O-N 3.13Å; I102-M311 HydrophobicContact CG2-CB 3.9Å; I102-I312 HydrophobicContact CD1-CG1 4.22Å; I102-I312 HydrophobicContact CG2-CG1 4.27Å; I102-A315 HydrophobicContact CB-CB 4.48Å; I102-A315 HydrophobicContact CG1-CB 4.12Å; I102-A315 HydrophobicContact CG2-CB 4.33Å
103G92.3Very high89.5Confident7 Ų742.4 Ų42.47%0.07226%0.263CS..SBendtrans173.9-171.3-174.600000108.9F101 S269F101-G103 VanDerWaalsContact C-N 3.33Å; F101-G103 PolarHBondContact O-N 3.49Å; F101-G103 VanDerWaalsContact O-N 3.08Å; G103-S269 WeakPolarHBondContact O-CB 3Å
104P92.1Very high88.9Confident1 Ų142.4 Ų42.41%0.00626%0.263CS..SBendtrans-68.9156.5176.528-35.3000113F101 A108 I109 Y267 D268 T290F101-P104 VanDerWaalsContact CD1-O 3.31Å; F101-P104 WeakPolarHBondContact CD1-O 3.26Å; F101-P104 WeakPolarHBondContact CE1-O 3.4Å; P104-A108 HydrophobicContact CB-CB 4.43Å; P104-I109 HydrophobicContact CB-CG1 4.26Å; P104-I109 HydrophobicContact CG-CD1 4.13Å; P104-I109 HydrophobicContact CG-CG1 3.65Å; P104-I109 WeakPolarHBondContact O-CD1 3.46Å; P104-Y267 HydrophobicContact CB-CD2 4.24Å; P104-Y267 HydrophobicContact CB-CE1 4.03Å; P104-Y267 HydrophobicContact CB-CE2 3.63Å; P104-Y267 HydrophobicContact CG-CE2 4.06Å; P104-Y267 WeakPolarHBondContact CG-OH 3.48Å; P104-D268 WeakPolarHBondContact CA-O 3.19Å; P104-D268 WeakPolarHBondContact CA-OD1 3.39Å; P104-D268 WeakPolarHBondContact CB-O 3.45Å; P104-T290 WeakPolarHBondContact CD-O 3.36Å; P104-T290 WeakPolarHBondContact CG-O 3.32Å
105N90.5Very high88.1Confident49 Ų4944.9 Ų44.926%0.26227%0.274SS..  trans-62.4151.517468.685.8000112.2K107 A108 I109 G266 D268N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.39Å; N105-K107 WeakPolarHBondContact OD1-CB 3.27Å; N105-K107 PolarHBondContact OD1-N 3.11Å; N105-A108 PolarHBondContact O-N 2.87Å; N105-A108 VanDerWaalsContact O-N 3.07Å; N105-A108 PolarHBondContact OD1-N 3.03Å; N105-I109 WeakPolarHBondContact O-CG1 3.25Å; N105-I109 PolarHBondContact O-N 3.01Å; N105-I109 VanDerWaalsContact O-N 3.08Å; N105-G266 PolarHBondContact ND2-O 3.35Å; N105-D268 WeakPolarHBondContact CB-OD1 3.35Å; N105-D268 PolarHBondContact N-OD1 2.88Å; N105-D268 PolarHBondContact ND2-OD1 2.78Å
106S89.6Confident87.7Confident42 Ų4241.1 Ų41.129%0.29425%0.25SC..Hα-helixtrans-58.1-34.3-175.356.60000113.6I109 L110S106-I109 PolarHBondContact O-N 3.24Å; S106-L110 WeakPolarHBondContact O-CB 3.39Å; S106-L110 PolarHBondContact O-N 3.08Å
107K88.9Confident87.4Confident157 Ų15739.1 Ų39.168%0.68324%0.241SC*.Hα-helixtrans-63.8-44.1176.9-177.5-174.2176.4-172.50111.2N105 L110 A111N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.39Å; N105-K107 WeakPolarHBondContact OD1-CB 3.27Å; N105-K107 PolarHBondContact OD1-N 3.11Å; K107-L110 PolarHBondContact O-N 2.87Å; K107-A111 VanDerWaalsContact O-CB 3.27Å; K107-A111 WeakPolarHBondContact O-CB 3.5Å; K107-A111 PolarHBondContact O-N 3.11Å
108A90.8Very high87.2Confident0 Ų036.7 Ų36.70%022%0.22CC..Hα-helixtrans-66.7-41.8176.800000112.3P104 N105 L110 A111 M112 V265 Y267P104-A108 HydrophobicContact CB-CB 4.43Å; N105-A108 PolarHBondContact O-N 2.87Å; N105-A108 VanDerWaalsContact O-N 3.07Å; N105-A108 PolarHBondContact OD1-N 3.03Å; A108-L110 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 2.72Å; A108-A111 PolarHBondContact O-N 3.28Å; A108-M112 PolarHBondContact O-N 2.83Å; A108-M112 VanDerWaalsContact O-N 3.11Å; A108-V265 HydrophobicContact CB-CG2 4.42Å; A108-Y267 HydrophobicContact CB-CD2 3.77Å; A108-Y267 HydrophobicContact CB-CE2 4.3Å
109I90.7Very high87Confident1 Ų134.4 Ų34.41%0.00519%0.192CC..Hα-helixtrans-58.2-48174.6-61.7172.1000110.5E86 T88 A91 F101 P104 N105 S106 G113E86-I109 WeakPolarHBondContact O-CG2 3.44Å; T88-I109 WeakPolarHBondContact OG1-CG2 3.19Å; A91-I109 HydrophobicContact CB-CD1 3.84Å; F101-I109 HydrophobicContact CE1-CD1 3.81Å; F101-I109 HydrophobicContact CZ-CD1 4.19Å; P104-I109 HydrophobicContact CB-CG1 4.26Å; P104-I109 HydrophobicContact CG-CD1 4.13Å; P104-I109 HydrophobicContact CG-CG1 3.65Å; P104-I109 WeakPolarHBondContact O-CD1 3.46Å; N105-I109 WeakPolarHBondContact O-CG1 3.25Å; N105-I109 PolarHBondContact O-N 3.01Å; N105-I109 VanDerWaalsContact O-N 3.08Å; S106-I109 PolarHBondContact O-N 3.24Å; I109-G113 PolarHBondContact O-N 2.81Å
110L90Very high86.9Confident100 Ų10041.2 Ų41.252%0.52422%0.217SC..Hα-helixtrans-63.3-48.4-180-175.463000111.8T88 S106 K107 A108 M112 G113T88-L110 HydrophobicContact CG2-CB 3.86Å; T88-L110 HydrophobicContact CG2-CD1 4.31Å; T88-L110 HydrophobicContact CG2-CG 4.49Å; T88-L110 PolarHBondContact OG1-N 3.01Å; S106-L110 WeakPolarHBondContact O-CB 3.39Å; S106-L110 PolarHBondContact O-N 3.08Å; K107-L110 PolarHBondContact O-N 2.87Å; A108-L110 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 2.72Å; L110-M112 PolarHBondContact O-N 3.02Å; L110-G113 PolarHBondContact O-N 2.86Å
111A88.1Confident86.8Confident8 Ų839.9 Ų39.97%0.06621%0.208CC..Hα-helixtrans-61.1-34.2-176.700000112.9K107 A108 S118 I121 V265K107-A111 VanDerWaalsContact O-CB 3.27Å; K107-A111 WeakPolarHBondContact O-CB 3.5Å; K107-A111 PolarHBondContact O-N 3.11Å; A108-A111 PolarHBondContact O-N 3.28Å; A111-S118 PolarHBondContact O-N 2.89Å; A111-I121 HydrophobicContact CB-CD1 3.8Å; A111-V265 HydrophobicContact CB-CG1 4.41Å
112M89.1Confident86.6Confident11 Ų1139.1 Ų39.15%0.05421%0.205CC..Hα-helixtrans-94.5-13.7179.9-64.3-46.9-51.800114.4A108 L110 L261 V265 F285 M288 T290A108-M112 PolarHBondContact O-N 2.83Å; A108-M112 VanDerWaalsContact O-N 3.11Å; L110-M112 PolarHBondContact O-N 3.02Å; M112-L261 HydrophobicContact CE-CD1 4.47Å; M112-L261 HydrophobicContact CE-CD2 4.27Å; M112-L261 HydrophobicContact SD-CD1 4.31Å; M112-V265 HydrophobicContact CG-CG1 4.31Å; M112-V265 HydrophobicContact SD-CG1 3.77Å; M112-F285 HydrophobicContact CE-CE2 4.44Å; M112-F285 HydrophobicContact CE-CZ 3.67Å; M112-M288 HydrophobicContact CB-CB 4.35Å; M112-M288 HydrophobicContact CE-CB 3.6Å; M112-M288 HydrophobicContact CG-CB 4.21Å; M112-M288 HydrophobicContact CG-SD 3.97Å; M112-T290 HydrophobicContact CB-CG2 3.6Å; M112-T290 HydrophobicContact CG-CG2 4.23Å
113G81.5Confident86.3Confident61 Ų6142 Ų4263%0.62922%0.222SC*.Hα-helixtrans-77.4-28.5178.900000114.6I109 L110I109-G113 PolarHBondContact O-N 2.81Å; L110-G113 PolarHBondContact O-N 2.86Å
114D78.1Confident86.2Confident39 Ų3948.7 Ų48.721%0.20925%0.252CS..SBendtrans-88.7124.7173.8-178.2-58.5000110.2I116 Q117 S118 R195D114-I116 VanDerWaalsContact C-N 3.34Å; D114-I116 PolarHBondContact O-N 3.39Å; D114-I116 WeakPolarHBondContact OD1-CA 3.46Å; D114-I116 WeakPolarHBondContact OD1-CB 3.21Å; D114-I116 PolarHBondContact OD1-N 3.11Å; D114-Q117 HydrophobicContact CB-CB 3.96Å; D114-Q117 PolarHBondContact O-N 3.45Å; D114-Q117 PolarHBondContact OD1-N 2.82Å; D114-S118 VanDerWaalsContact O-CB 3.22Å; D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 3.4Å; D114-S118 PolarHBondContact O-OG 2.72Å; D114-R195 IonicContact OD2-CZ 2.94Å; D114-R195 IonicContact OD2-NH1 2.65Å; D114-R195 PolarHBondContact OD2-NH1 2.88Å; D114-R195 IonicContact OD2-NH2 2.6Å; D114-R195 PolarHBondContact OD2-NH2 2.81Å
115K75.4Confident86Confident53 Ų5349 Ų4923%0.2325%0.254CS..Hα-helixtrans-66.3-31.7-176.1-71.7-177-165.6159.30113.8S118 K119 A158 S159 G161 L197K115-S118 WeakPolarHBondContact CA-OG 2.95Å; K115-S118 PolarHBondContact O-OG 2.83Å; K115-S118 VanDerWaalsContact O-OG 3.05Å; K115-K119 WeakPolarHBondContact O-CB 3.41Å; K115-K119 WeakPolarHBondContact O-CG 3.29Å; K115-K119 PolarHBondContact O-N 2.91Å; K115-A158 WeakPolarHBondContact CD-O 3.3Å; K115-A158 PolarHBondContact NZ-O 3.5Å; K115-S159 WeakPolarHBondContact CB-O 3.41Å; K115-S159 VanDerWaalsContact CD-O 3.29Å; K115-S159 WeakPolarHBondContact CD-O 3.3Å; K115-S159 VanDerWaalsContact CG-O 3.26Å; K115-S159 WeakPolarHBondContact CG-O 3.37Å; K115-G161 WeakPolarHBondContact CE-O 3.31Å; K115-G161 PolarHBondContact NZ-O 2.85Å; K115-L197 HydrophobicContact CB-CD1 3.73Å; K115-L197 HydrophobicContact CD-CD1 4.44Å
116I78.6Confident86Confident13 Ų1355 Ų557%0.06728%0.278CS..Hα-helixtrans-74.2-45.4177.5-63.8165.6000109D114 K119 R120 E136 L197D114-I116 VanDerWaalsContact C-N 3.34Å; D114-I116 PolarHBondContact O-N 3.39Å; D114-I116 WeakPolarHBondContact OD1-CA 3.46Å; D114-I116 WeakPolarHBondContact OD1-CB 3.21Å; D114-I116 PolarHBondContact OD1-N 3.11Å; I116-K119 PolarHBondContact O-N 3.43Å; I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 2.95Å; I116-E136 HydrophobicContact CD1-CB 4.39Å; I116-L197 HydrophobicContact CG1-CD1 4.42Å; I116-L197 HydrophobicContact CG1-CD2 3.99Å; I116-L197 HydrophobicContact CG1-CG 4.43Å
117Q82.4Confident86.2Confident84 Ų8453.3 Ų53.339%0.39327%0.266SS..Hα-helixtrans-66.1-47.2179.9-170.8175.80.400112D114 K119 R120 I121D114-Q117 HydrophobicContact CB-CB 3.96Å; D114-Q117 PolarHBondContact O-N 3.45Å; D114-Q117 PolarHBondContact OD1-N 2.82Å; Q117-K119 VanDerWaalsContact C-N 3.29Å; Q117-K119 PolarHBondContact O-N 2.98Å; Q117-R120 PolarHBondContact O-N 2.8Å; Q117-I121 HydrophobicContact CG-CD1 3.89Å; Q117-I121 WeakPolarHBondContact O-CG1 3.38Å; Q117-I121 PolarHBondContact O-N 3.29Å
118S84.9Confident86.4Confident7 Ų748.9 Ų48.95%0.04925%0.25CC..Hα-helixtrans-57.2-40.7177.452.60000112.4A111 D114 K115 I121 A122A111-S118 PolarHBondContact O-N 2.89Å; D114-S118 VanDerWaalsContact O-CB 3.22Å; D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 3.4Å; D114-S118 PolarHBondContact O-OG 2.72Å; K115-S118 WeakPolarHBondContact CA-OG 2.95Å; K115-S118 PolarHBondContact O-OG 2.83Å; K115-S118 VanDerWaalsContact O-OG 3.05Å; S118-I121 PolarHBondContact O-N 3.35Å; S118-A122 VanDerWaalsContact O-CB 3.25Å; S118-A122 WeakPolarHBondContact O-CB 3.25Å; S118-A122 PolarHBondContact O-N 2.87Å
119K82.3Confident86.3Confident16 Ų1650.6 Ų50.67%0.0726%0.258CS..Hα-helixtrans-64.5-44.6175.5-81.5-173.8161.8-149.20113.6K115 I116 Q117 I121 A122 T123 M129 E199K115-K119 WeakPolarHBondContact O-CB 3.41Å; K115-K119 WeakPolarHBondContact O-CG 3.29Å; K115-K119 PolarHBondContact O-N 2.91Å; I116-K119 PolarHBondContact O-N 3.43Å; Q117-K119 VanDerWaalsContact C-N 3.29Å; Q117-K119 PolarHBondContact O-N 2.98Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 2.92Å; K119-A122 PolarHBondContact O-N 3.02Å; K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 2.77Å; K119-T123 PolarHBondContact O-OG1 3.36Å; K119-M129 HydrophobicContact CB-CE 3.89Å; K119-M129 HydrophobicContact CD-CE 4.36Å; K119-M129 HydrophobicContact CG-CE 3.59Å; K119-E199 WeakPolarHBondContact CE-OE1 3.41Å; K119-E199 IonicContact NZ-OE1 4Å; K119-E199 PolarHBondContact NZ-OE1 3.01Å
120R85.2Confident86.2Confident146 Ų14650.8 Ų50.855%0.55126%0.259SS*.Hα-helixtrans-59.7-46.8177.3-72176.5-175.9179.11.9110.4I116 Q117 A122 T123 E124I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 2.95Å; Q117-R120 PolarHBondContact O-N 2.8Å; R120-A122 PolarHBondContact O-N 2.98Å; R120-T123 WeakPolarHBondContact O-CB 3.35Å; R120-T123 PolarHBondContact O-N 3.15Å; R120-E124 WeakPolarHBondContact O-CG 3.4Å; R120-E124 PolarHBondContact O-N 3.27Å
121I88.1Confident85.9Confident25 Ų2549.1 Ų49.113%0.12825%0.254CS..Hα-helixtrans-65-41.1178.2-61.9165.7000111.3A111 Q117 S118 K119 T123 E124 A125 L261 N264 V265A111-I121 HydrophobicContact CB-CD1 3.8Å; Q117-I121 HydrophobicContact CG-CD1 3.89Å; Q117-I121 WeakPolarHBondContact O-CG1 3.38Å; Q117-I121 PolarHBondContact O-N 3.29Å; S118-I121 PolarHBondContact O-N 3.35Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 2.92Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.2Å; I121-E124 PolarHBondContact O-N 2.51Å; I121-A125 WeakPolarHBondContact O-CB 3.2Å; I121-A125 PolarHBondContact O-N 2.92Å; I121-L261 HydrophobicContact CG2-CD1 4.05Å; I121-N264 HydrophobicContact CG2-CB 4.49Å; I121-V265 HydrophobicContact CD1-CG1 4.17Å; I121-V265 HydrophobicContact CG2-CG1 3.57Å
122A87.7Confident85.5Confident0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-62.3-38.1175.400000112.3S118 K119 R120 A125 K126 V127 M129 L261 F285S118-A122 VanDerWaalsContact O-CB 3.25Å; S118-A122 WeakPolarHBondContact O-CB 3.25Å; S118-A122 PolarHBondContact O-N 2.87Å; K119-A122 PolarHBondContact O-N 3.02Å; R120-A122 PolarHBondContact O-N 2.98Å; A122-A125 CarbonylContact O-C 3.5Å; A122-A125 PolarHBondContact O-N 2.8Å; A122-K126 PolarHBondContact O-N 2.79Å; A122-V127 HydrophobicContact CB-CB 4.23Å; A122-V127 HydrophobicContact CB-CG2 4.43Å; A122-V127 WeakPolarHBondContact O-CB 3.27Å; A122-V127 WeakPolarHBondContact O-CG2 3.27Å; A122-V127 PolarHBondContact O-N 2.95Å; A122-M129 HydrophobicContact CB-CE 4.12Å; A122-M129 HydrophobicContact CB-SD 3.52Å; A122-M129 VanDerWaalsContact CB-SD 3.52Å; A122-L261 HydrophobicContact CB-CD1 4.14Å; A122-F285 HydrophobicContact CB-CD1 3.81Å; A122-F285 HydrophobicContact CB-CE1 3.9Å; A122-F285 HydrophobicContact CB-CG 4.23Å; A122-F285 HydrophobicContact CB-CZ 4.41Å
123T86.9Confident85Confident62 Ų6253.4 Ų53.438%0.3828%0.277SS..Hα-helixtrans-67.1-45.2175.2-53.70000111.5K119 R120 I121 A125 K126K119-T123 WeakPolarHBondContact O-CB 3.45Å; K119-T123 PolarHBondContact O-N 2.77Å; K119-T123 PolarHBondContact O-OG1 3.36Å; R120-T123 WeakPolarHBondContact O-CB 3.35Å; R120-T123 PolarHBondContact O-N 3.15Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.2Å; T123-A125 VanDerWaalsContact C-N 3.27Å; T123-A125 PolarHBondContact O-N 3.49Å; T123-K126 WeakPolarHBondContact O-CA 3.44Å; T123-K126 PolarHBondContact O-N 2.81Å
124E88.5Confident84.5Confident148 Ų14854.9 Ų54.969%0.69227%0.271SS*.Hα-helixtrans-60.9-37.2174-72.6171.2-17300111.9R120 I121 K126R120-E124 WeakPolarHBondContact O-CG 3.4Å; R120-E124 PolarHBondContact O-N 3.27Å; I121-E124 PolarHBondContact O-N 2.51Å; E124-K126 PolarHBondContact O-N 2.82Å
125A89.8Confident84.4Confident6 Ų653.8 Ų53.85%0.0527%0.268CS..THydrogen-bonded Turntrans-74.22.2173.500000113.8I121 A122 T123 V127 S260 L261 N264I121-A125 WeakPolarHBondContact O-CB 3.2Å; I121-A125 PolarHBondContact O-N 2.92Å; A122-A125 CarbonylContact O-C 3.5Å; A122-A125 PolarHBondContact O-N 2.8Å; T123-A125 VanDerWaalsContact C-N 3.27Å; T123-A125 PolarHBondContact O-N 3.49Å; A125-V127 HydrophobicContact CB-CG2 3.97Å; A125-V127 PolarHBondContact O-N 3.2Å; A125-S260 PolarHBondContact O-OG 2.89Å; A125-L261 HydrophobicContact CB-CD1 4.34Å; A125-N264 WeakPolarHBondContact CA-ND2 3.49Å; A125-N264 HydrophobicContact CB-CB 4.24Å; A125-N264 WeakPolarHBondContact CB-ND2 3.22Å
126K90.5Very high84.8Confident176 Ų17654.6 Ų54.677%0.76527%0.273SS*.THydrogen-bonded Turntrans56.233-179-54.2-179.8-178.9179.10113.1A122 T123 E124A122-K126 PolarHBondContact O-N 2.79Å; T123-K126 WeakPolarHBondContact O-CA 3.44Å; T123-K126 PolarHBondContact O-N 2.81Å; E124-K126 PolarHBondContact O-N 2.82Å
127V92.6Very high85.2Confident7 Ų754 Ų544%0.04227%0.27CS..PPolyproline II helixtrans-77.1142171.1-173.90000108.5A122 A125 M129 Q257 L261 F275 F285A122-V127 HydrophobicContact CB-CB 4.23Å; A122-V127 HydrophobicContact CB-CG2 4.43Å; A122-V127 WeakPolarHBondContact O-CB 3.27Å; A122-V127 WeakPolarHBondContact O-CG2 3.27Å; A122-V127 PolarHBondContact O-N 2.95Å; A125-V127 HydrophobicContact CB-CG2 3.97Å; A125-V127 PolarHBondContact O-N 3.2Å; V127-M129 WeakPolarHBondContact O-CG 3.3Å; V127-M129 PolarHBondContact O-N 2.9Å; V127-Q257 HydrophobicContact CG1-CB 4.3Å; V127-Q257 HydrophobicContact CG2-CB 4.35Å; V127-L261 HydrophobicContact CG2-CB 3.95Å; V127-F275 HydrophobicContact CG1-CE1 3.9Å; V127-F275 HydrophobicContact CG1-CZ 4.47Å; V127-F285 HydrophobicContact CG1-CB 3.7Å; V127-F285 HydrophobicContact CG1-CD2 4.38Å; V127-F285 HydrophobicContact CG1-CG 4.26Å
128N92.8Very high85.4Confident64 Ų6456.7 Ų56.734%0.34228%0.28SS..PPolyproline II helixtrans-63.9118.4177.2-67.3-5.6000110Q257 F283 Y284 F285N128-Q257 PolarHBondContact OD1-NE2 2.77Å; N128-F283 HydrophobicContact CB-CD2 4.46Å; N128-F283 HydrophobicContact CB-CE2 4.37Å; N128-F283 WeakPolarHBondContact CB-O 3.36Å; N128-F283 WeakPolarHBondContact ND2-CE2 3.28Å; N128-F283 WeakPolarHBondContact ND2-CZ 3.4Å; N128-F283 PolarHBondContact ND2-O 3.16Å; N128-Y284 CarbonylContact O-C 3.52Å; N128-Y284 WeakPolarHBondContact O-CA 3.42Å; N128-F285 WeakPolarHBondContact O-CB 3.49Å; N128-F285 PolarHBondContact O-N 2.88Å
129M90.1Very high85.6Confident35 Ų3560.3 Ų60.317%0.17230%0.299CS..BIsolated β-bridgetrans-99149.6-179.3-59.9-54.6-6600111.5K119 A122 V127 Y284 F285K119-M129 HydrophobicContact CB-CE 3.89Å; K119-M129 HydrophobicContact CD-CE 4.36Å; K119-M129 HydrophobicContact CG-CE 3.59Å; A122-M129 HydrophobicContact CB-CE 4.12Å; A122-M129 HydrophobicContact CB-SD 3.52Å; A122-M129 VanDerWaalsContact CB-SD 3.52Å; V127-M129 WeakPolarHBondContact O-CG 3.3Å; V127-M129 PolarHBondContact O-N 2.9Å; M129-Y284 VanDerWaalsContact O-CD1 3.26Å; M129-Y284 WeakPolarHBondContact O-CD1 3.41Å; M129-F285 HydrophobicContact CE-CD1 3.77Å; M129-F285 HydrophobicContact SD-CB 3.92Å; M129-F285 HydrophobicContact SD-CD1 3.95Å; M129-F285 HydrophobicContact SD-CG 4.3Å
130I88Confident85.8Confident5 Ų560.9 Ų60.93%0.02631%0.306CS..PPolyproline II helixtrans-60.6128.6169.1-58.4169.9000107.5G132 E199 K200 I202 L276 Y284 L286I130-G132 PolarHBondContact O-N 2.98Å; I130-G132 VanDerWaalsContact O-N 3.14Å; I130-E199 HydrophobicContact CG2-CB 3.97Å; I130-K200 HydrophobicContact CG2-CB 4.3Å; I130-K200 WeakPolarHBondContact CG2-O 3.13Å; I130-I202 HydrophobicContact CG2-CD1 4.46Å; I130-L276 HydrophobicContact CD1-CD1 3.95Å; I130-Y284 VanDerWaalsContact CG1-CB 3.42Å; I130-Y284 HydrophobicContact CG1-CG 4.22Å; I130-L286 HydrophobicContact CD1-CD1 4.45Å
131P82.6Confident86.1Confident65 Ų6559.1 Ų59.142%0.42230%0.304SS..SBendtrans-53.4123.5174.8-25.434000110K200 Y284P131-K200 HydrophobicContact CB-CB 4.17Å; P131-K200 VanDerWaalsContact O-CB 3.23Å; P131-K200 WeakPolarHBondContact O-CB 3.5Å; P131-K200 PolarHBondContact O-N 3.39Å; P131-Y284 HydrophobicContact CG-CE1 4.48Å
132G81.2Confident86.3Confident27 Ų2759 Ų5928%0.27830%0.304SS..BIsolated β-bridgetrans-177.6-179.8-170.700000112I130I130-G132 PolarHBondContact O-N 2.98Å; I130-G132 VanDerWaalsContact O-N 3.14Å
133Y78.7Confident86.5Confident83 Ų8359 Ų5933%0.32530%0.304SS..  trans-87.6126.5174.2-177.1-117.5000110G135 E136 V137 V146 V198Y133-G135 WeakPolarHBondContact CD1-O 3.45Å; Y133-G135 VanDerWaalsContact CE1-C 3.42Å; Y133-G135 WeakPolarHBondContact CE1-O 3.48Å; Y133-G135 PolarHBondContact O-N 2.99Å; Y133-E136 WeakPolarHBondContact CE1-O 3.47Å; Y133-V137 HydrophobicContact CD1-CG2 3.71Å; Y133-V137 HydrophobicContact CE1-CG2 4.21Å; Y133-V146 HydrophobicContact CD1-CG2 4.33Å; Y133-V146 HydrophobicContact CD2-CG2 4.22Å; Y133-V146 HydrophobicContact CG-CG1 4.18Å; Y133-V146 HydrophobicContact CG-CG2 4.06Å; Y133-V198 PolarHBondContact N-O 2.77Å; Y133-V198 VanDerWaalsContact N-O 3.12Å
134D71Confident86.7Confident92 Ų9256.5 Ų56.549%0.49229%0.288SS..SBendtrans-76.1-10.1-176.7-65.3-32000113.2
135G75.6Confident86.9Confident15 Ų1556 Ų5616%0.15528%0.28CS..SBendtrans-103.7173.9-179.800000114.3Y133Y133-G135 WeakPolarHBondContact CD1-O 3.45Å; Y133-G135 VanDerWaalsContact CE1-C 3.42Å; Y133-G135 WeakPolarHBondContact CE1-O 3.48Å; Y133-G135 PolarHBondContact O-N 2.99Å
136E83.5Confident86.9Confident71 Ų7156 Ų5633%0.33228%0.279SS..PPolyproline II helixtrans-74.4133167.9-179.2-171.8154.200110.2I116 Y133 R195I116-E136 HydrophobicContact CD1-CB 4.39Å; Y133-E136 WeakPolarHBondContact CE1-O 3.47Å; E136-R195 HydrophobicContact CG-CB 4.09Å; E136-R195 HydrophobicContact CG-CG 4.39Å; E136-R195 WeakPolarHBondContact OE2-CG 3.48Å
137V87.5Confident86.9Confident0 Ų047.6 Ų47.60%024%0.242CC..BIsolated β-bridgetrans-86.7119.3172.2178.60000109.1Y133 E142 C143 V146 F180 M196 V198Y133-V137 HydrophobicContact CD1-CG2 3.71Å; Y133-V137 HydrophobicContact CE1-CG2 4.21Å; V137-E142 HydrophobicContact CG1-CB 4.14Å; V137-E142 HydrophobicContact CG1-CG 4.15Å; V137-C143 HydrophobicContact CG1-CB 3.76Å; V137-V146 HydrophobicContact CG2-CG2 4.47Å; V137-F180 HydrophobicContact CB-CE2 3.89Å; V137-F180 HydrophobicContact CG1-CD2 4.19Å; V137-F180 HydrophobicContact CG1-CE2 3.52Å; V137-F180 HydrophobicContact CG1-CZ 4.09Å; V137-F180 WeakPolarHBondContact O-CZ 3.24Å; V137-M196 PolarHBondContact N-O 3.38Å; V137-V198 HydrophobicContact CB-CG2 4.32Å; V137-V198 HydrophobicContact CG1-CG2 4.47Å; V137-V198 HydrophobicContact CG2-CB 4.18Å; V137-V198 HydrophobicContact CG2-CG2 3.7Å
138K85.4Confident86.8Confident141 Ų14151.2 Ų51.261%0.61326%0.262SS*.  trans-76.8-45.9-169.6-63.6173.1-176.5175.40112.6E142 K184K138-E142 VanDerWaalsContact CB-OE2 3.32Å; K138-E142 WeakPolarHBondContact CB-OE2 3.29Å; K138-E142 WeakPolarHBondContact CG-OE2 3.26Å; K138-E142 PolarHBondContact N-OE2 2.83Å; K138-K184 PolarHBondContact O-NZ 2.93Å
139D88.6Confident86.7Confident82 Ų8254.4 Ų54.444%0.43928%0.279SS..SBendtrans-143.1175.1-172.563.950.7000113E141 E142 C143D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 3.49Å; D139-E141 PolarHBondContact OD1-N 3Å; D139-E142 PolarHBondContact O-N 3.31Å; D139-E142 PolarHBondContact OD1-N 2.63Å; D139-C143 PolarHBondContact O-N 2.86Å
140A88.3Confident86.6Confident28 Ų2854.5 Ų54.523%0.23128%0.279CS..Hα-helixtrans-67.1-29.8-175.700000113.3C143 V144 R177 F180A140-C143 WeakPolarHBondContact O-CB 3.46Å; A140-C143 PolarHBondContact O-N 3.2Å; A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 2.86Å; A140-V144 VanDerWaalsContact O-N 3.12Å; A140-R177 HydrophobicContact CB-CB 4.41Å; A140-R177 HydrophobicContact CB-CG 4.36Å; A140-F180 HydrophobicContact CB-CD1 4.06Å
141E91.3Very high86.6Confident109 Ų10955.4 Ų55.451%0.50929%0.29SS..Hα-helixtrans-77.1-38.9178.4-66.9-53.2131.700110.9D139 C143 V144 R145 R177D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 3.49Å; D139-E141 PolarHBondContact OD1-N 3Å; E141-C143 VanDerWaalsContact C-N 3.26Å; E141-C143 PolarHBondContact O-N 2.93Å; E141-V144 PolarHBondContact O-N 2.7Å; E141-R145 PolarHBondContact O-N 3.11Å; E141-R177 IonicContact OE1-CZ 3.75Å; E141-R177 IonicContact OE1-NE 3.47Å; E141-R177 PolarHBondContact OE1-NE 3.04Å; E141-R177 IonicContact OE1-NH2 3.52Å; E141-R177 IonicContact OE2-CZ 3.59Å; E141-R177 IonicContact OE2-NE 2.74Å; E141-R177 IonicContact OE2-NH2 3.56Å; E141-R177 PolarHBondContact OE2-NH2 3.08Å
142E91.9Very high86.9Confident23 Ų2354.8 Ų54.811%0.10728%0.28CS..Hα-helixtrans-61.2-38.4169.7-173169.1-137.200111.1V137 K138 D139 V144 R145 V146V137-E142 HydrophobicContact CG1-CB 4.14Å; V137-E142 HydrophobicContact CG1-CG 4.15Å; K138-E142 VanDerWaalsContact CB-OE2 3.32Å; K138-E142 WeakPolarHBondContact CB-OE2 3.29Å; K138-E142 WeakPolarHBondContact CG-OE2 3.26Å; K138-E142 PolarHBondContact N-OE2 2.83Å; D139-E142 PolarHBondContact O-N 3.31Å; D139-E142 PolarHBondContact OD1-N 2.63Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 2.68Å; E142-R145 PolarHBondContact O-N 3.33Å; E142-R145 IonicContact OE1-NH2 3.05Å; E142-R145 PolarHBondContact OE1-NH2 2.92Å; E142-V146 HydrophobicContact CG-CG2 4.24Å; E142-V146 WeakPolarHBondContact O-CB 3.01Å; E142-V146 VanDerWaalsContact O-CG2 3.3Å; E142-V146 WeakPolarHBondContact O-CG2 3.36Å; E142-V146 PolarHBondContact O-N 2.79Å
143C90.6Very high87.4Confident0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-59.4-42.9174.1-173.90000112.3V137 D139 A140 E141 A147 F180V137-C143 HydrophobicContact CG1-CB 3.76Å; D139-C143 PolarHBondContact O-N 2.86Å; A140-C143 WeakPolarHBondContact O-CB 3.46Å; A140-C143 PolarHBondContact O-N 3.2Å; E141-C143 VanDerWaalsContact C-N 3.26Å; E141-C143 PolarHBondContact O-N 2.93Å; C143-A147 WeakPolarHBondContact O-CB 3.13Å; C143-A147 PolarHBondContact O-N 2.66Å; C143-F180 HydrophobicContact CB-CB 4.06Å; C143-F180 HydrophobicContact CB-CD2 3.66Å; C143-F180 HydrophobicContact CB-CE2 4.28Å; C143-F180 HydrophobicContact CB-CG 3.89Å
144V91.8Very high88.1Confident9 Ų950.7 Ų50.76%0.05526%0.259CS..Hα-helixtrans-66.4-43.6177.4171.50000111A140 E141 E142 A147 N148 D173 A176 R177A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 2.86Å; A140-V144 VanDerWaalsContact O-N 3.12Å; E141-V144 PolarHBondContact O-N 2.7Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 2.68Å; V144-A147 PolarHBondContact O-N 3.33Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.36Å; V144-N148 PolarHBondContact O-N 3.4Å; V144-N148 PolarHBondContact O-ND2 3.48Å; V144-D173 HydrophobicContact CG1-CB 4.12Å; V144-A176 HydrophobicContact CG2-CB 4.16Å; V144-R177 HydrophobicContact CG2-CG 3.49Å; V144-R177 VanDerWaalsContact CG2-CG 3.49Å
145R92.8Very high88.9Confident139 Ų13947 Ų4753%0.52524%0.239SC..Hα-helixtrans-58.9-52.8176.4-177.7-176.364146.7-1.1111.1E141 E142 A147 N148 D149E141-R145 PolarHBondContact O-N 3.11Å; E142-R145 PolarHBondContact O-N 3.33Å; E142-R145 IonicContact OE1-NH2 3.05Å; E142-R145 PolarHBondContact OE1-NH2 2.92Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 3.01Å; R145-N148 PolarHBondContact O-N 2.88Å; R145-D149 PolarHBondContact O-N 3.39Å
146V90.2Very high89.5Confident4 Ų446.3 Ų46.32%0.02423%0.231CC..Hα-helixtrans-60.4-39.6178.2167.70000111.4Y133 V137 E142 N148 D149 I150 V198Y133-V146 HydrophobicContact CD1-CG2 4.33Å; Y133-V146 HydrophobicContact CD2-CG2 4.22Å; Y133-V146 HydrophobicContact CG-CG1 4.18Å; Y133-V146 HydrophobicContact CG-CG2 4.06Å; V137-V146 HydrophobicContact CG2-CG2 4.47Å; E142-V146 HydrophobicContact CG-CG2 4.24Å; E142-V146 WeakPolarHBondContact O-CB 3.01Å; E142-V146 VanDerWaalsContact O-CG2 3.3Å; E142-V146 WeakPolarHBondContact O-CG2 3.36Å; E142-V146 PolarHBondContact O-N 2.79Å; V146-N148 VanDerWaalsContact C-N 3.34Å; V146-N148 PolarHBondContact O-N 2.99Å; V146-D149 PolarHBondContact O-N 3.41Å; V146-I150 HydrophobicContact CG1-CD1 3.55Å; V146-I150 HydrophobicContact CG1-CG1 4.37Å; V146-I150 WeakPolarHBondContact O-CD1 3.26Å; V146-I150 VanDerWaalsContact O-CG1 3.27Å; V146-I150 WeakPolarHBondContact O-CG1 3.16Å; V146-I150 PolarHBondContact O-N 2.96Å; V146-V198 HydrophobicContact CG1-CB 3.88Å; V146-V198 HydrophobicContact CG1-CG1 3.97Å
147A90.6Very high89.5Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-65.1-3717800000112.8C143 V144 R145 G151 Y152 V154C143-A147 WeakPolarHBondContact O-CB 3.13Å; C143-A147 PolarHBondContact O-N 2.66Å; V144-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 3.01Å; A147-G151 CarbonylContact O-C 3.53Å; A147-G151 WeakPolarHBondContact O-CA 3.43Å; A147-G151 PolarHBondContact O-N 3.41Å; A147-Y152 HydrophobicContact CB-CE1 3.72Å; A147-Y152 HydrophobicContact CB-CE2 4.46Å; A147-Y152 WeakPolarHBondContact CB-OH 3.5Å; A147-V154 HydrophobicContact CB-CB 4.46Å; A147-V154 HydrophobicContact CB-CG1 4.11Å; A147-V154 HydrophobicContact CB-CG2 3.66Å
148N90.9Very high89.2Confident84 Ų8444.1 Ų44.145%0.44922%0.221SC..Hα-helixtrans-69.1-37.8174.1-80.4-62.4000112.1V144 R145 V146 G151 D173V144-N148 WeakPolarHBondContact CG1-ND2 3.36Å; V144-N148 PolarHBondContact O-N 3.4Å; V144-N148 PolarHBondContact O-ND2 3.48Å; R145-N148 PolarHBondContact O-N 2.88Å; V146-N148 VanDerWaalsContact C-N 3.34Å; V146-N148 PolarHBondContact O-N 2.99Å; N148-G151 PolarHBondContact O-N 3.38Å; N148-D173 PolarHBondContact ND2-OD1 3.14Å
149D90.1Very high88.8Confident131 Ų13137.5 Ų37.570%0.70119%0.193SC*.Hα-helixtrans-66-39.6176.1-66.7-23000112.2R145 V146R145-D149 PolarHBondContact O-N 3.39Å; V146-D149 PolarHBondContact O-N 3.41Å
150I88.6Confident87.9Confident36 Ų3634.8 Ų34.819%0.18518%0.181CC..Hα-helixtrans-75.5-31.8176.2-64.9163.9000111.6V146 V154 V198 K200V146-I150 HydrophobicContact CG1-CD1 3.55Å; V146-I150 HydrophobicContact CG1-CG1 4.37Å; V146-I150 WeakPolarHBondContact O-CD1 3.26Å; V146-I150 VanDerWaalsContact O-CG1 3.27Å; V146-I150 WeakPolarHBondContact O-CG1 3.16Å; V146-I150 PolarHBondContact O-N 2.96Å; I150-V154 HydrophobicContact CB-CG1 4.12Å; I150-V154 HydrophobicContact CG2-CG1 3.91Å; I150-V198 HydrophobicContact CD1-CG1 3.95Å; I150-K200 HydrophobicContact CG2-CB 3.66Å; I150-K200 HydrophobicContact CG2-CD 3.67Å; I150-K200 HydrophobicContact CG2-CG 4.28Å
151G88.2Confident86.6Confident25 Ų2535 Ų3526%0.25819%0.187SC..  trans80.5141.4-169.800000113.2A147 N148 V154 K200A147-G151 CarbonylContact O-C 3.53Å; A147-G151 WeakPolarHBondContact O-CA 3.43Å; A147-G151 PolarHBondContact O-N 3.41Å; N148-G151 PolarHBondContact O-N 3.38Å; G151-V154 WeakPolarHBondContact O-CG1 3.37Å; G151-K200 VanDerWaalsContact C-NZ 3.35Å; G151-K200 WeakPolarHBondContact O-CD 3.49Å; G151-K200 PolarHBondContact O-NZ 2.9Å
152Y88.6Confident85.1Confident52 Ų5232.1 Ų32.120%0.20419%0.186CC..SBendtrans-71.1156.9178.8-69.8-73.2000113.8A147 V154 A170 W171 D173 A176 K200A147-Y152 HydrophobicContact CB-CE1 3.72Å; A147-Y152 HydrophobicContact CB-CE2 4.46Å; A147-Y152 WeakPolarHBondContact CB-OH 3.5Å; Y152-V154 HydrophobicContact CD1-CG2 4.07Å; Y152-V154 HydrophobicContact CE1-CG2 3.9Å; Y152-A170 WeakPolarHBondContact CD1-O 3.35Å; Y152-A170 HydrophobicContact CE1-CB 4.42Å; Y152-W171 WeakPolarHBondContact CB-O 3.38Å; Y152-W171 VanDerWaalsContact CD1-C 3.46Å; Y152-D173 WeakPolarHBondContact CE2-OD1 3.04Å; Y152-D173 VanDerWaalsContact OH-CA 3.31Å; Y152-D173 WeakPolarHBondContact OH-CA 3.47Å; Y152-D173 PolarHBondContact OH-N 3.43Å; Y152-D173 PolarHBondContact OH-OD1 3Å; Y152-A176 HydrophobicContact CE1-CB 4.18Å; Y152-K200 PolarHBondContact O-NZ 3.38Å
153P91.8Very high83.3Confident24 Ų2434.3 Ų34.316%0.15622%0.215CC..SBendcis-70.5152.3-12.129.9-35000112.6I169 A170 W171 Y201P153-I169 HydrophobicContact CB-CG2 4.26Å; P153-A170 VanDerWaalsContact CA-O 3.3Å; P153-A170 WeakPolarHBondContact CA-O 3.47Å; P153-W171 HydrophobicContact CB-CD2 3.84Å; P153-W171 HydrophobicContact CB-CE3 3.69Å; P153-W171 HydrophobicContact CB-CG 4.42Å; P153-W171 HydrophobicContact CB-CH2 4.29Å; P153-W171 HydrophobicContact CB-CZ2 4.43Å; P153-W171 HydrophobicContact CB-CZ3 3.93Å; P153-W171 HydrophobicContact CG-CD2 4.48Å; P153-W171 HydrophobicContact CG-CE3 3.92Å; P153-W171 HydrophobicContact CG-CH2 3.99Å; P153-W171 HydrophobicContact CG-CZ3 3.66Å; P153-Y201 HydrophobicContact CB-CD1 4.23Å; P153-Y201 HydrophobicContact CB-CG 4.5Å; P153-Y201 HydrophobicContact CG-CD1 3.72Å; P153-Y201 HydrophobicContact CG-CG 4.32Å; P153-Y201 WeakPolarHBondContact O-CB 3.49Å; P153-Y201 PolarHBondContact O-N 3.31Å; P153-Y201 VanDerWaalsContact O-N 3.13Å
154V91.9Very high81.7Confident0 Ų035.8 Ų35.80%023%0.23CC..EExtended strand (participates in β ladder)trans-122.5157.8175.1-61.20000111A147 I150 G151 Y152 I169 A170 V198 E199A147-V154 HydrophobicContact CB-CB 4.46Å; A147-V154 HydrophobicContact CB-CG1 4.11Å; A147-V154 HydrophobicContact CB-CG2 3.66Å; I150-V154 HydrophobicContact CB-CG1 4.12Å; I150-V154 HydrophobicContact CG2-CG1 3.91Å; G151-V154 WeakPolarHBondContact O-CG1 3.37Å; Y152-V154 HydrophobicContact CD1-CG2 4.07Å; Y152-V154 HydrophobicContact CE1-CG2 3.9Å; V154-I169 WeakPolarHBondContact O-CA 3.43Å; V154-A170 HydrophobicContact CG2-CB 4.2Å; V154-A170 PolarHBondContact N-O 3.47Å; V154-A170 PolarHBondContact O-N 2.95Å; V154-V198 HydrophobicContact CB-CG1 4.06Å; V154-V198 HydrophobicContact CG2-CG1 4.16Å; V154-E199 CarbonylContact C-O 3.57Å; V154-E199 WeakPolarHBondContact CA-O 3.48Å; V154-E199 WeakPolarHBondContact CB-O 3.11Å
155M89.3Confident80.3Confident15 Ų1541.3 Ų41.37%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-119.1126.3-179.7-179.3170.34200109.7K157 L167 R168 V198 E199 Y201M155-K157 HydrophobicContact CG-CG 4.11Å; M155-K157 WeakPolarHBondContact SD-CE 3.31Å; M155-K157 HydrophobicContact SD-CG 4.49Å; M155-L167 HydrophobicContact CG-CD1 4.43Å; M155-L167 HydrophobicContact CG-CD2 4.14Å; M155-L167 HydrophobicContact CG-CG 4.1Å; M155-L167 HydrophobicContact SD-CD1 3.82Å; M155-L167 HydrophobicContact SD-CD2 3.97Å; M155-L167 HydrophobicContact SD-CG 4.06Å; M155-R168 WeakPolarHBondContact CA-O 3.14Å; M155-V198 WeakPolarHBondContact O-CA 3.26Å; M155-E199 PolarHBondContact N-O 3.41Å; M155-E199 PolarHBondContact O-N 3.46Å; M155-Y201 HydrophobicContact CB-CD2 4.38Å; M155-Y201 HydrophobicContact SD-CD2 4.42Å
156M87.5Confident79Confident0 Ų034.7 Ų34.70%023%0.228CC..EExtended strand (participates in β ladder)trans-97129.3174.5-67.6155.9-72.600109L167 R168 A170 G179 F180 M196 L197 V198M156-L167 WeakPolarHBondContact O-CA 3.26Å; M156-R168 HydrophobicContact CE-CB 4.01Å; M156-R168 PolarHBondContact N-O 3.29Å; M156-R168 PolarHBondContact O-N 3.26Å; M156-R168 VanDerWaalsContact O-N 3.11Å; M156-A170 HydrophobicContact CE-CB 3.65Å; M156-G179 VanDerWaalsContact SD-C 3.55Å; M156-F180 VanDerWaalsContact SD-CA 3.53Å; M156-F180 HydrophobicContact SD-CB 3.79Å; M156-F180 PolarHBondContact SD-N 3.32Å; M156-M196 HydrophobicContact CB-CE 3.98Å; M156-L197 CarbonylContact C-O 3.56Å; M156-L197 WeakPolarHBondContact CA-O 3.44Å; M156-V198 HydrophobicContact CG-CG2 4.03Å
157K83.9Confident78.3Confident22 Ų2237.4 Ų37.410%0.09624%0.243CC..EExtended strand (participates in β ladder)trans-129135.8-178.9-66.9-178.9176.91650111.1M155 L167 L197 E199M155-K157 HydrophobicContact CG-CG 4.11Å; M155-K157 WeakPolarHBondContact SD-CE 3.31Å; M155-K157 HydrophobicContact SD-CG 4.49Å; K157-L167 HydrophobicContact CG-CD1 4.1Å; K157-L167 HydrophobicContact CG-CG 4.31Å; K157-L197 HydrophobicContact CB-CB 4.48Å; K157-L197 PolarHBondContact N-O 3.01Å; K157-L197 PolarHBondContact O-N 3.21Å; K157-E199 WeakPolarHBondContact CD-OE2 3.27Å; K157-E199 VanDerWaalsContact CE-OE2 3.26Å; K157-E199 WeakPolarHBondContact CE-OE2 3.45Å; K157-E199 IonicContact NZ-OE2 3.78Å; K157-E199 PolarHBondContact NZ-OE2 2.79Å
158A81.6Confident78.1Confident2 Ų241.8 Ų41.82%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-64.3138.2166.200000111K115 A160 G166 A187 M196K115-A158 WeakPolarHBondContact CD-O 3.3Å; K115-A158 PolarHBondContact NZ-O 3.5Å; A158-A160 WeakPolarHBondContact CB-O 3.48Å; A158-G166 PolarHBondContact N-O 2.92Å; A158-A187 HydrophobicContact CB-CB 3.65Å; A158-M196 HydrophobicContact CB-SD 4.27Å
159S77Confident77.9Confident3 Ų340.8 Ų40.82%0.02125%0.253CS..SBendtrans-64.1-43.8176-172.40000111.2K115 R195K115-S159 WeakPolarHBondContact CB-O 3.41Å; K115-S159 VanDerWaalsContact CD-O 3.29Å; K115-S159 WeakPolarHBondContact CD-O 3.3Å; K115-S159 VanDerWaalsContact CG-O 3.26Å; K115-S159 WeakPolarHBondContact CG-O 3.37Å; S159-R195 WeakPolarHBondContact CB-O 3.34Å; S159-R195 PolarHBondContact N-O 2.92Å
160A68.2Low78Confident24 Ų2434.6 Ų34.620%0.19822%0.22CC..SBendtrans-89155.3172.100000112.5A158 F191 D193A158-A160 WeakPolarHBondContact CB-O 3.48Å; A160-F191 HydrophobicContact CB-CB 4Å; A160-F191 HydrophobicContact CB-CG 4.5Å; A160-D193 HydrophobicContact CB-CB 3.67Å
161G62.2Low78.2Confident33 Ų3339.6 Ų39.634%0.3424%0.237SC..  trans86.9170.9171.500000115.5K115K115-G161 WeakPolarHBondContact CE-O 3.31Å; K115-G161 PolarHBondContact NZ-O 2.85Å
162G59.3Low78.5Confident48 Ų4841.3 Ų41.350%0.49524%0.24SC..  trans-147.5176.8-175.300000113.3
163G54.9Low78.8Confident69 Ų6941.8 Ų41.871%0.71125%0.246SC*.THydrogen-bonded Turntrans78.217.7176.700000115.8
164G56.4Low78.7Confident32 Ų3247.2 Ų47.233%0.3327%0.267SS..THydrogen-bonded Turntrans840.3176.800000115.9L167G164-L167 WeakPolarHBondContact O-CB 3.35Å; G164-L167 PolarHBondContact O-N 3.48Å
165K61.9Low78.7Confident124 Ų12450.4 Ų50.454%0.53928%0.282SS..THydrogen-bonded Turntrans-69.1137.8168.1-69.8-172.3177.2-172.70110.3L167 F191K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 2.86Å; K165-F191 HydrophobicContact CB-CE2 4.14Å; K165-F191 HydrophobicContact CB-CZ 3.91Å; K165-F191 HydrophobicContact CD-CZ 4.39Å
166G66Low78.7Confident0 Ų049.7 Ų49.70%028%0.279CS..THydrogen-bonded Turntrans68.922.3-174.600000114.2A158 E186A158-G166 PolarHBondContact N-O 2.92Å; G166-E186 PolarHBondContact N-OE1 3.45Å
167L76.4Confident78.9Confident62 Ų6254 Ų5433%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-111.5127177-171.3153.5000110.5M155 M156 K157 G164 K165M155-L167 HydrophobicContact CG-CD1 4.43Å; M155-L167 HydrophobicContact CG-CD2 4.14Å; M155-L167 HydrophobicContact CG-CG 4.1Å; M155-L167 HydrophobicContact SD-CD1 3.82Å; M155-L167 HydrophobicContact SD-CD2 3.97Å; M155-L167 HydrophobicContact SD-CG 4.06Å; M156-L167 WeakPolarHBondContact O-CA 3.26Å; K157-L167 HydrophobicContact CG-CD1 4.1Å; K157-L167 HydrophobicContact CG-CG 4.31Å; G164-L167 WeakPolarHBondContact O-CB 3.35Å; G164-L167 PolarHBondContact O-N 3.48Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 2.86Å
168R84.7Confident78.8Confident92 Ų9257.6 Ų57.635%0.34731%0.312SS..EExtended strand (participates in β ladder)trans-140.3149.4176.4-70.7-178.5-169.8-101.8-7.7111.7M155 M156 S183 E186M155-R168 WeakPolarHBondContact CA-O 3.14Å; M156-R168 HydrophobicContact CE-CB 4.01Å; M156-R168 PolarHBondContact N-O 3.29Å; M156-R168 PolarHBondContact O-N 3.26Å; M156-R168 VanDerWaalsContact O-N 3.11Å; R168-S183 VanDerWaalsContact CD-OG 3.26Å; R168-S183 WeakPolarHBondContact CD-OG 3.29Å; R168-S183 VanDerWaalsContact CG-OG 3.24Å; R168-S183 WeakPolarHBondContact CG-OG 3.35Å; R168-E186 IonicContact NH2-OE2 3.99Å; R168-E186 PolarHBondContact NH2-OE2 2.86Å
169I88.4Confident79Confident63 Ų6357.9 Ų57.932%0.32332%0.315SS..EExtended strand (participates in β ladder)trans-105.6135.7176.2-55.5163.8000107.6P153 V154 W171 Y201P153-I169 HydrophobicContact CB-CG2 4.26Å; V154-I169 WeakPolarHBondContact O-CA 3.43Å; I169-W171 HydrophobicContact CG2-CZ2 4.5Å; I169-Y201 HydrophobicContact CD1-CD2 3.86Å; I169-Y201 HydrophobicContact CD1-CE2 3.32Å; I169-Y201 HydrophobicContact CG1-CD2 3.85Å; I169-Y201 HydrophobicContact CG1-CE2 3.86Å; I169-Y201 HydrophobicContact CG2-CD1 4.46Å; I169-Y201 HydrophobicContact CG2-CD2 4.2Å; I169-Y201 HydrophobicContact CG2-CG 4.13Å
170A91.5Very high79.5Confident0 Ų058 Ų580%032%0.315CS..EExtended strand (participates in β ladder)trans-122.2135.3173.800000110.4Y152 P153 V154 M156 E175 A176Y152-A170 WeakPolarHBondContact CD1-O 3.35Å; Y152-A170 HydrophobicContact CE1-CB 4.42Å; P153-A170 VanDerWaalsContact CA-O 3.3Å; P153-A170 WeakPolarHBondContact CA-O 3.47Å; V154-A170 HydrophobicContact CG2-CB 4.2Å; V154-A170 PolarHBondContact N-O 3.47Å; V154-A170 PolarHBondContact O-N 2.95Å; M156-A170 HydrophobicContact CE-CB 3.65Å; A170-E175 HydrophobicContact CB-CB 3.86Å; A170-A176 HydrophobicContact CB-CB 4Å
171W92Very high80.2Confident141 Ų14162.7 Ų62.753%0.53433%0.328SS..SBendtrans-104.3-10.4-179.6-63.586.2000113.4Y152 P153 I169 E175Y152-W171 WeakPolarHBondContact CB-O 3.38Å; Y152-W171 VanDerWaalsContact CD1-C 3.46Å; P153-W171 HydrophobicContact CB-CD2 3.84Å; P153-W171 HydrophobicContact CB-CE3 3.69Å; P153-W171 HydrophobicContact CB-CG 4.42Å; P153-W171 HydrophobicContact CB-CH2 4.29Å; P153-W171 HydrophobicContact CB-CZ2 4.43Å; P153-W171 HydrophobicContact CB-CZ3 3.93Å; P153-W171 HydrophobicContact CG-CD2 4.48Å; P153-W171 HydrophobicContact CG-CE3 3.92Å; P153-W171 HydrophobicContact CG-CH2 3.99Å; P153-W171 HydrophobicContact CG-CZ3 3.66Å; I169-W171 HydrophobicContact CG2-CZ2 4.5Å; W171-E175 WeakPolarHBondContact CB-OE2 3.19Å; W171-E175 VanDerWaalsContact CD1-OE2 3.22Å; W171-E175 PolarHBondContact N-OE2 3.04Å
172N94.5Very high81.2Confident61 Ų6164 Ų6433%0.32633%0.326SS..SBendtrans-158.5171.9-179.254.767.2000111K174 E175 A176N172-K174 VanDerWaalsContact C-N 3.28Å; N172-K174 PolarHBondContact O-N 3.19Å; N172-K174 WeakPolarHBondContact OD1-CB 3.43Å; N172-K174 PolarHBondContact OD1-N 3.32Å; N172-E175 PolarHBondContact ND2-OE1 3.25Å; N172-E175 PolarHBondContact O-N 3.33Å; N172-E175 PolarHBondContact OD1-N 2.76Å; N172-A176 PolarHBondContact O-N 2.95Å
173D95.2Very high82.3Confident62 Ų6261.7 Ų61.733%0.33230%0.303SS..Hα-helixtrans-53.3-39.5179.7-75.213000114.2V144 N148 Y152 A176 R177V144-D173 HydrophobicContact CG1-CB 4.12Å; N148-D173 PolarHBondContact ND2-OD1 3.14Å; Y152-D173 WeakPolarHBondContact CE2-OD1 3.04Å; Y152-D173 VanDerWaalsContact OH-CA 3.31Å; Y152-D173 WeakPolarHBondContact OH-CA 3.47Å; Y152-D173 PolarHBondContact OH-N 3.43Å; Y152-D173 PolarHBondContact OH-OD1 3Å; D173-A176 PolarHBondContact O-N 3.08Å; D173-R177 PolarHBondContact O-N 3.07Å; D173-R177 VanDerWaalsContact O-N 3.11Å
174K90.6Very high83.6Confident138 Ų13860.3 Ų60.360%0.628%0.278SS*.Hα-helixtrans-66.3-49.6-178.6-176.6-173.9175.2-172.70110.3N172 A176 R177 E178N172-K174 VanDerWaalsContact C-N 3.28Å; N172-K174 PolarHBondContact O-N 3.19Å; N172-K174 WeakPolarHBondContact OD1-CB 3.43Å; N172-K174 PolarHBondContact OD1-N 3.32Å; K174-A176 VanDerWaalsContact C-N 3.27Å; K174-A176 PolarHBondContact O-N 2.84Å; K174-R177 PolarHBondContact O-N 3.08Å; K174-E178 PolarHBondContact O-N 2.78Å; K174-E178 VanDerWaalsContact O-N 3.09Å
175E91.5Very high84.7Confident68 Ų6863.9 Ų63.932%0.31829%0.286SS..Hα-helixtrans-65-31.6176.9-70.8172.8-151.300112.4A170 W171 N172 G179A170-E175 HydrophobicContact CB-CB 3.86Å; W171-E175 WeakPolarHBondContact CB-OE2 3.19Å; W171-E175 VanDerWaalsContact CD1-OE2 3.22Å; W171-E175 PolarHBondContact N-OE2 3.04Å; N172-E175 PolarHBondContact ND2-OE1 3.25Å; N172-E175 PolarHBondContact O-N 3.33Å; N172-E175 PolarHBondContact OD1-N 2.76Å; E175-G179 WeakPolarHBondContact O-CA 3.38Å; E175-G179 PolarHBondContact O-N 2.79Å
176A90.2Very high85.4Confident0 Ų060.7 Ų60.70%027%0.273CS..Hα-helixtrans-64.7-46.9175.200000111.3V144 Y152 A170 N172 D173 K174 F180V144-A176 HydrophobicContact CG2-CB 4.16Å; Y152-A176 HydrophobicContact CE1-CB 4.18Å; A170-A176 HydrophobicContact CB-CB 4Å; N172-A176 PolarHBondContact O-N 2.95Å; D173-A176 PolarHBondContact O-N 3.08Å; K174-A176 VanDerWaalsContact C-N 3.27Å; K174-A176 PolarHBondContact O-N 2.84Å; A176-F180 WeakPolarHBondContact O-CB 3.25Å; A176-F180 PolarHBondContact O-N 3.13Å
177R90.2Very high85.8Confident89 Ų8960.7 Ų60.734%0.33627%0.273SS..Hα-helixtrans-61.7-49.3175.9-70-175-177.3873.2112.3A140 E141 V144 D173 K174 R181A140-R177 HydrophobicContact CB-CB 4.41Å; A140-R177 HydrophobicContact CB-CG 4.36Å; E141-R177 IonicContact OE1-CZ 3.75Å; E141-R177 IonicContact OE1-NE 3.47Å; E141-R177 PolarHBondContact OE1-NE 3.04Å; E141-R177 IonicContact OE1-NH2 3.52Å; E141-R177 IonicContact OE2-CZ 3.59Å; E141-R177 IonicContact OE2-NE 2.74Å; E141-R177 IonicContact OE2-NH2 3.56Å; E141-R177 PolarHBondContact OE2-NH2 3.08Å; V144-R177 HydrophobicContact CG2-CG 3.49Å; V144-R177 VanDerWaalsContact CG2-CG 3.49Å; D173-R177 PolarHBondContact O-N 3.07Å; D173-R177 VanDerWaalsContact O-N 3.11Å; K174-R177 PolarHBondContact O-N 3.08Å; R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 PolarHBondContact O-N 2.94Å; R177-R181 VanDerWaalsContact O-N 3.13Å
178E83.2Confident85.9Confident99 Ų9959.9 Ų59.946%0.46328%0.275SS..Hα-helixtrans-66.7-46.4-178.1-73.6-177.7159.900111.4K174 F180 R181 L182K174-E178 PolarHBondContact O-N 2.78Å; K174-E178 VanDerWaalsContact O-N 3.09Å; E178-F180 PolarHBondContact O-N 2.8Å; E178-R181 PolarHBondContact O-N 2.75Å; E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 VanDerWaalsContact O-CG 3.25Å; E178-L182 WeakPolarHBondContact O-CG 3.41Å; E178-L182 PolarHBondContact O-N 2.9Å
179G84.3Confident85Confident8 Ų860.6 Ų60.68%0.08229%0.294CS..Hα-helixtrans-62-42178.400000112.3M156 E175 L182 S183M156-G179 VanDerWaalsContact SD-C 3.55Å; E175-G179 WeakPolarHBondContact O-CA 3.38Å; E175-G179 PolarHBondContact O-N 2.79Å; G179-L182 PolarHBondContact O-N 2.61Å; G179-S183 VanDerWaalsContact O-CB 3.29Å; G179-S183 WeakPolarHBondContact O-CB 3.26Å; G179-S183 PolarHBondContact O-N 3.22Å; G179-S183 PolarHBondContact O-OG 2.82Å; G179-S183 VanDerWaalsContact O-OG 3.11Å
180F87.5Confident83.8Confident6 Ų660.3 Ų60.33%0.02630%0.298CS..Hα-helixtrans-63.2-50.5177.8-179.6-90.4000110.9V137 A140 C143 M156 A176 E178 L182 S183 K184 M196V137-F180 HydrophobicContact CB-CE2 3.89Å; V137-F180 HydrophobicContact CG1-CD2 4.19Å; V137-F180 HydrophobicContact CG1-CE2 3.52Å; V137-F180 HydrophobicContact CG1-CZ 4.09Å; V137-F180 WeakPolarHBondContact O-CZ 3.24Å; A140-F180 HydrophobicContact CB-CD1 4.06Å; C143-F180 HydrophobicContact CB-CB 4.06Å; C143-F180 HydrophobicContact CB-CD2 3.66Å; C143-F180 HydrophobicContact CB-CE2 4.28Å; C143-F180 HydrophobicContact CB-CG 3.89Å; M156-F180 VanDerWaalsContact SD-CA 3.53Å; M156-F180 HydrophobicContact SD-CB 3.79Å; M156-F180 PolarHBondContact SD-N 3.32Å; A176-F180 WeakPolarHBondContact O-CB 3.25Å; A176-F180 PolarHBondContact O-N 3.13Å; E178-F180 PolarHBondContact O-N 2.8Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.74Å; F180-S183 PolarHBondContact O-N 2.72Å; F180-K184 HydrophobicContact CE1-CB 4.49Å; F180-K184 HydrophobicContact CE1-CD 3.68Å; F180-K184 HydrophobicContact CZ-CD 3.85Å; F180-K184 WeakPolarHBondContact O-CB 3.26Å; F180-K184 PolarHBondContact O-N 3.02Å; F180-M196 HydrophobicContact CD2-CB 4.27Å; F180-M196 HydrophobicContact CD2-CG 4.43Å; F180-M196 HydrophobicContact CE2-CB 3.53Å; F180-M196 HydrophobicContact CE2-CG 3.88Å; F180-M196 HydrophobicContact CZ-CB 4.15Å; F180-M196 HydrophobicContact CZ-CG 4.23Å
181R84Confident82.7Confident122 Ų12263.9 Ų63.946%0.4631%0.313SS..Hα-helixtrans-57.9-46179.7-170.8-171.566.272.5-1.4111.3R177 E178 Q185R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 PolarHBondContact O-N 2.94Å; R177-R181 VanDerWaalsContact O-N 3.13Å; E178-R181 PolarHBondContact O-N 2.75Å; R181-Q185 WeakPolarHBondContact O-CB 3.38Å; R181-Q185 VanDerWaalsContact O-CG 3.25Å; R181-Q185 WeakPolarHBondContact O-CG 3.36Å; R181-Q185 PolarHBondContact O-N 2.98Å; R181-Q185 VanDerWaalsContact O-N 3.14Å
182L81.9Confident82Confident59 Ų5960.6 Ų60.631%0.30932%0.323SS..Hα-helixtrans-68.5-46.4-179.5-70.1172.9000112.1E178 G179 F180 K184 Q185 E186E178-L182 WeakPolarHBondContact O-CB 3.47Å; E178-L182 VanDerWaalsContact O-CG 3.25Å; E178-L182 WeakPolarHBondContact O-CG 3.41Å; E178-L182 PolarHBondContact O-N 2.9Å; G179-L182 PolarHBondContact O-N 2.61Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.74Å; L182-K184 PolarHBondContact O-N 2.94Å; L182-Q185 PolarHBondContact O-N 3.05Å; L182-E186 WeakPolarHBondContact O-CB 3.33Å; L182-E186 PolarHBondContact O-N 3.17Å
183S82.7Confident81.2Confident0 Ų059.2 Ų59.20%032%0.316CS..Hα-helixtrans-64.5-39.5178.6-68.40000112.3R168 G179 F180 E186 A187 M196R168-S183 VanDerWaalsContact CD-OG 3.26Å; R168-S183 WeakPolarHBondContact CD-OG 3.29Å; R168-S183 VanDerWaalsContact CG-OG 3.24Å; R168-S183 WeakPolarHBondContact CG-OG 3.35Å; G179-S183 VanDerWaalsContact O-CB 3.29Å; G179-S183 WeakPolarHBondContact O-CB 3.26Å; G179-S183 PolarHBondContact O-N 3.22Å; G179-S183 PolarHBondContact O-OG 2.82Å; G179-S183 VanDerWaalsContact O-OG 3.11Å; F180-S183 PolarHBondContact O-N 2.72Å; S183-E186 PolarHBondContact O-N 2.84Å; S183-A187 VanDerWaalsContact O-CB 3.31Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.95Å; S183-M196 VanDerWaalsContact CB-CE 3.48Å
184K82.8Confident80.6Confident41 Ų4159.7 Ų59.718%0.17832%0.318CS..Hα-helixtrans-63.2-44.6176.8-174.3160.1-176.7159.60111.7K138 F180 L182 A187 A188 D194 M196K138-K184 PolarHBondContact O-NZ 2.93Å; F180-K184 HydrophobicContact CE1-CB 4.49Å; F180-K184 HydrophobicContact CE1-CD 3.68Å; F180-K184 HydrophobicContact CZ-CD 3.85Å; F180-K184 WeakPolarHBondContact O-CB 3.26Å; F180-K184 PolarHBondContact O-N 3.02Å; L182-K184 PolarHBondContact O-N 2.94Å; K184-A187 PolarHBondContact O-N 3.08Å; K184-A188 WeakPolarHBondContact O-CB 3.15Å; K184-A188 PolarHBondContact O-N 2.98Å; K184-D194 WeakPolarHBondContact CE-O 3.49Å; K184-D194 WeakPolarHBondContact CE-OD2 3.41Å; K184-D194 HydrophobicContact CG-CB 3.98Å; K184-D194 WeakPolarHBondContact CG-O 3.19Å; K184-D194 IonicContact NZ-OD2 3.77Å; K184-M196 HydrophobicContact CB-CG 3.96Å; K184-M196 HydrophobicContact CB-SD 4.4Å; K184-M196 HydrophobicContact CD-CG 4.37Å; K184-M196 HydrophobicContact CG-CG 4.22Å
185Q79.3Confident80.5Confident107 Ų10756.3 Ų56.350%0.530%0.302SS..Hα-helixtrans-63.5-42.1174.4-73.5176.8-14.100112.2R181 L182 S189R181-Q185 WeakPolarHBondContact O-CB 3.38Å; R181-Q185 VanDerWaalsContact O-CG 3.25Å; R181-Q185 WeakPolarHBondContact O-CG 3.36Å; R181-Q185 PolarHBondContact O-N 2.98Å; R181-Q185 VanDerWaalsContact O-N 3.14Å; L182-Q185 PolarHBondContact O-N 3.05Å; Q185-S189 WeakPolarHBondContact O-CB 3.4Å; Q185-S189 PolarHBondContact O-N 2.82Å
186E76Confident80.3Confident57 Ų5753.1 Ų53.127%0.26629%0.287SS..Hα-helixtrans-63.9-41.1177.3-171.4-178.4149.300111.7G166 R168 L182 S183 S189 S190G166-E186 PolarHBondContact N-OE1 3.45Å; R168-E186 IonicContact NH2-OE2 3.99Å; R168-E186 PolarHBondContact NH2-OE2 2.86Å; L182-E186 WeakPolarHBondContact O-CB 3.33Å; L182-E186 PolarHBondContact O-N 3.17Å; S183-E186 PolarHBondContact O-N 2.84Å; E186-S189 PolarHBondContact O-N 3.08Å; E186-S190 WeakPolarHBondContact O-CB 3.36Å; E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.42Å
187A76.1Confident80.1Confident0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-65.8-48.317700000111.9A158 S183 K184 S189 S190 F191 G192 D193 M196A158-A187 HydrophobicContact CB-CB 3.65Å; S183-A187 VanDerWaalsContact O-CB 3.31Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.95Å; K184-A187 PolarHBondContact O-N 3.08Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.73Å; A187-S190 PolarHBondContact O-N 2.93Å; A187-F191 PolarHBondContact O-N 3.05Å; A187-G192 PolarHBondContact O-N 2.87Å; A187-D193 CarbonylContact C-O 3.48Å; A187-D193 VanDerWaalsContact C-O 3.32Å; A187-D193 WeakPolarHBondContact CB-O 3.38Å; A187-M196 HydrophobicContact CB-SD 4.47Å
188A76.9Confident80Confident45 Ų4549 Ų4937%0.37227%0.271SS..Hα-helixtrans-55.5-45.9174.200000111.4K184 G192 D194K184-A188 WeakPolarHBondContact O-CB 3.15Å; K184-A188 PolarHBondContact O-N 2.98Å; A188-G192 WeakPolarHBondContact O-CA 3.49Å; A188-G192 PolarHBondContact O-N 3.26Å; A188-G192 VanDerWaalsContact O-N 3.15Å; A188-D194 HydrophobicContact CB-CB 3.88Å
189S66.3Low80.3Confident107 Ų10744.6 Ų44.675%0.74825%0.251SS*.Hα-helixtrans-71.4-33.4-179.9-176.80000113.7Q185 E186 A187Q185-S189 WeakPolarHBondContact O-CB 3.4Å; Q185-S189 PolarHBondContact O-N 2.82Å; E186-S189 PolarHBondContact O-N 3.08Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.73Å
190S62.5Low80.5Confident57 Ų5746.6 Ų46.640%0.39926%0.257SS..Hα-helixtrans-91.9-34.8-172.3-60.50000113.2E186 A187E186-S190 WeakPolarHBondContact O-CB 3.36Å; E186-S190 PolarHBondContact O-N 2.82Å; E186-S190 PolarHBondContact O-OG 3.42Å; A187-S190 PolarHBondContact O-N 2.93Å
191F69.8Low80.5Confident74 Ų7448 Ų4833%0.32526%0.263SS..Hα-helixtrans-125.9-9.2-168.7-53.3-62.1000113.4A160 K165 A187 D193A160-F191 HydrophobicContact CB-CB 4Å; A160-F191 HydrophobicContact CB-CG 4.5Å; K165-F191 HydrophobicContact CB-CE2 4.14Å; K165-F191 HydrophobicContact CB-CZ 3.91Å; K165-F191 HydrophobicContact CD-CZ 4.39Å; A187-F191 PolarHBondContact O-N 3.05Å; F191-D193 PolarHBondContact O-N 2.95Å
192G76.3Confident80.5Confident73 Ų7343 Ų4375%0.75325%0.245SC*.SBendtrans69.312.8-176.100000114A187 A188A187-G192 PolarHBondContact O-N 2.87Å; A188-G192 WeakPolarHBondContact O-CA 3.49Å; A188-G192 PolarHBondContact O-N 3.26Å; A188-G192 VanDerWaalsContact O-N 3.15Å
193D77.7Confident80.4Confident32 Ų3243.9 Ų43.917%0.17125%0.25CC..  trans-133.6119.8178.9-178.4-9.6000107.6A160 A187 F191 R195A160-D193 HydrophobicContact CB-CB 3.67Å; A187-D193 CarbonylContact C-O 3.48Å; A187-D193 VanDerWaalsContact C-O 3.32Å; A187-D193 WeakPolarHBondContact CB-O 3.38Å; F191-D193 PolarHBondContact O-N 2.95Å; D193-R195 VanDerWaalsContact OD1-CB 3.27Å; D193-R195 WeakPolarHBondContact OD1-CB 3.18Å; D193-R195 WeakPolarHBondContact OD1-CG 3.14Å; D193-R195 IonicContact OD1-CZ 3.56Å; D193-R195 PolarHBondContact OD1-N 2.86Å; D193-R195 IonicContact OD1-NE 3.3Å; D193-R195 PolarHBondContact OD1-NE 2.79Å; D193-R195 IonicContact OD2-CZ 3.69Å; D193-R195 VanDerWaalsContact OD2-CZ 3.3Å; D193-R195 IonicContact OD2-NE 3.65Å; D193-R195 PolarHBondContact OD2-NE 2.85Å; D193-R195 VanDerWaalsContact OD2-NE 3.08Å; D193-R195 IonicContact OD2-NH2 2.68Å; D193-R195 PolarHBondContact OD2-NH2 2.99Å
194D83.2Confident80.5Confident71 Ų7146.5 Ų46.538%0.3826%0.264SS..  trans-105.28.6-173.976.7-32.8000112.8K184 A188K184-D194 WeakPolarHBondContact CE-O 3.49Å; K184-D194 WeakPolarHBondContact CE-OD2 3.41Å; K184-D194 HydrophobicContact CG-CB 3.98Å; K184-D194 WeakPolarHBondContact CG-O 3.19Å; K184-D194 IonicContact NZ-OD2 3.77Å; A188-D194 HydrophobicContact CB-CB 3.88Å
195R87.9Confident80.9Confident68 Ų6845 Ų4526%0.25726%0.258SS..  trans-66.6132.3176.6-61.6179.5-64.7155.72.6110.1D114 E136 S159 D193D114-R195 IonicContact OD2-CZ 2.94Å; D114-R195 IonicContact OD2-NH1 2.65Å; D114-R195 PolarHBondContact OD2-NH1 2.88Å; D114-R195 IonicContact OD2-NH2 2.6Å; D114-R195 PolarHBondContact OD2-NH2 2.81Å; E136-R195 HydrophobicContact CG-CB 4.09Å; E136-R195 HydrophobicContact CG-CG 4.39Å; E136-R195 WeakPolarHBondContact OE2-CG 3.48Å; S159-R195 WeakPolarHBondContact CB-O 3.34Å; S159-R195 PolarHBondContact N-O 2.92Å; D193-R195 VanDerWaalsContact OD1-CB 3.27Å; D193-R195 WeakPolarHBondContact OD1-CB 3.18Å; D193-R195 WeakPolarHBondContact OD1-CG 3.14Å; D193-R195 IonicContact OD1-CZ 3.56Å; D193-R195 PolarHBondContact OD1-N 2.86Å; D193-R195 IonicContact OD1-NE 3.3Å; D193-R195 PolarHBondContact OD1-NE 2.79Å; D193-R195 IonicContact OD2-CZ 3.69Å; D193-R195 VanDerWaalsContact OD2-CZ 3.3Å; D193-R195 IonicContact OD2-NE 3.65Å; D193-R195 PolarHBondContact OD2-NE 2.85Å; D193-R195 VanDerWaalsContact OD2-NE 3.08Å; D193-R195 IonicContact OD2-NH2 2.68Å; D193-R195 PolarHBondContact OD2-NH2 2.99Å
196M87.1Confident81.7Confident0 Ų040.8 Ų40.80%024%0.238CC..EExtended strand (participates in β ladder)trans-122.8146.8-173.1-69.4-60.8-60.700112.5V137 M156 A158 F180 S183 K184 A187V137-M196 PolarHBondContact N-O 3.38Å; M156-M196 HydrophobicContact CB-CE 3.98Å; A158-M196 HydrophobicContact CB-SD 4.27Å; F180-M196 HydrophobicContact CD2-CB 4.27Å; F180-M196 HydrophobicContact CD2-CG 4.43Å; F180-M196 HydrophobicContact CE2-CB 3.53Å; F180-M196 HydrophobicContact CE2-CG 3.88Å; F180-M196 HydrophobicContact CZ-CB 4.15Å; F180-M196 HydrophobicContact CZ-CG 4.23Å; S183-M196 VanDerWaalsContact CB-CE 3.48Å; K184-M196 HydrophobicContact CB-CG 3.96Å; K184-M196 HydrophobicContact CB-SD 4.4Å; K184-M196 HydrophobicContact CD-CG 4.37Å; K184-M196 HydrophobicContact CG-CG 4.22Å; A187-M196 HydrophobicContact CB-SD 4.47Å
197L85.7Confident82.7Confident2 Ų238.8 Ų38.81%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-119.8146.7176.1-68.4161.3000110K115 I116 M156 K157K115-L197 HydrophobicContact CB-CD1 3.73Å; K115-L197 HydrophobicContact CD-CD1 4.44Å; I116-L197 HydrophobicContact CG1-CD1 4.42Å; I116-L197 HydrophobicContact CG1-CD2 3.99Å; I116-L197 HydrophobicContact CG1-CG 4.43Å; M156-L197 CarbonylContact C-O 3.56Å; M156-L197 WeakPolarHBondContact CA-O 3.44Å; K157-L197 HydrophobicContact CB-CB 4.48Å; K157-L197 PolarHBondContact N-O 3.01Å; K157-L197 PolarHBondContact O-N 3.21Å
198V88.7Confident83.7Confident0 Ų038.8 Ų38.80%023%0.229CC..EExtended strand (participates in β ladder)trans-125.6127.1174.2-178.60000109.7Y133 V137 V146 I150 V154 M155 M156Y133-V198 PolarHBondContact N-O 2.77Å; Y133-V198 VanDerWaalsContact N-O 3.12Å; V137-V198 HydrophobicContact CB-CG2 4.32Å; V137-V198 HydrophobicContact CG1-CG2 4.47Å; V137-V198 HydrophobicContact CG2-CB 4.18Å; V137-V198 HydrophobicContact CG2-CG2 3.7Å; V146-V198 HydrophobicContact CG1-CB 3.88Å; V146-V198 HydrophobicContact CG1-CG1 3.97Å; I150-V198 HydrophobicContact CD1-CG1 3.95Å; V154-V198 HydrophobicContact CB-CG1 4.06Å; V154-V198 HydrophobicContact CG2-CG1 4.16Å; M155-V198 WeakPolarHBondContact O-CA 3.26Å; M156-V198 HydrophobicContact CG-CG2 4.03Å
199E88.9Confident84.8Confident7 Ų736.6 Ų36.63%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-132.8160.8-177.7-61.9-178.9135.600111.2K119 I130 V154 M155 K157 Y201K119-E199 WeakPolarHBondContact CE-OE1 3.41Å; K119-E199 IonicContact NZ-OE1 4Å; K119-E199 PolarHBondContact NZ-OE1 3.01Å; I130-E199 HydrophobicContact CG2-CB 3.97Å; V154-E199 CarbonylContact C-O 3.57Å; V154-E199 WeakPolarHBondContact CA-O 3.48Å; V154-E199 WeakPolarHBondContact CB-O 3.11Å; M155-E199 PolarHBondContact N-O 3.41Å; M155-E199 PolarHBondContact O-N 3.46Å; K157-E199 WeakPolarHBondContact CD-OE2 3.27Å; K157-E199 VanDerWaalsContact CE-OE2 3.26Å; K157-E199 WeakPolarHBondContact CE-OE2 3.45Å; K157-E199 IonicContact NZ-OE2 3.78Å; K157-E199 PolarHBondContact NZ-OE2 2.79Å; E199-Y201 PolarHBondContact O-N 2.84Å
200K89.5Confident86.3Confident50 Ų5031.5 Ų31.522%0.21718%0.175CC..EExtended strand (participates in β ladder)trans-61131.1168.2-172.569.7-172.9-177.40109.6I130 P131 I150 G151 Y152 I202I130-K200 HydrophobicContact CG2-CB 4.3Å; I130-K200 WeakPolarHBondContact CG2-O 3.13Å; P131-K200 HydrophobicContact CB-CB 4.17Å; P131-K200 VanDerWaalsContact O-CB 3.23Å; P131-K200 WeakPolarHBondContact O-CB 3.5Å; P131-K200 PolarHBondContact O-N 3.39Å; I150-K200 HydrophobicContact CG2-CB 3.66Å; I150-K200 HydrophobicContact CG2-CD 3.67Å; I150-K200 HydrophobicContact CG2-CG 4.28Å; G151-K200 VanDerWaalsContact C-NZ 3.35Å; G151-K200 WeakPolarHBondContact O-CD 3.49Å; G151-K200 PolarHBondContact O-NZ 2.9Å; Y152-K200 PolarHBondContact O-NZ 3.38Å; K200-I202 HydrophobicContact CG-CD1 4.22Å; K200-I202 PolarHBondContact O-N 3.48Å
201Y86.6Confident87.9Confident36 Ų3628.8 Ų28.814%0.14116%0.156CC..  trans-77.8114.8168.4178.5-101.4000108.9P153 M155 I169 E199 D203 K440P153-Y201 HydrophobicContact CB-CD1 4.23Å; P153-Y201 HydrophobicContact CB-CG 4.5Å; P153-Y201 HydrophobicContact CG-CD1 3.72Å; P153-Y201 HydrophobicContact CG-CG 4.32Å; P153-Y201 WeakPolarHBondContact O-CB 3.49Å; P153-Y201 PolarHBondContact O-N 3.31Å; P153-Y201 VanDerWaalsContact O-N 3.13Å; M155-Y201 HydrophobicContact CB-CD2 4.38Å; M155-Y201 HydrophobicContact SD-CD2 4.42Å; I169-Y201 HydrophobicContact CD1-CD2 3.86Å; I169-Y201 HydrophobicContact CD1-CE2 3.32Å; I169-Y201 HydrophobicContact CG1-CD2 3.85Å; I169-Y201 HydrophobicContact CG1-CE2 3.86Å; I169-Y201 HydrophobicContact CG2-CD1 4.46Å; I169-Y201 HydrophobicContact CG2-CD2 4.2Å; I169-Y201 HydrophobicContact CG2-CG 4.13Å; E199-Y201 PolarHBondContact O-N 2.84Å; Y201-D203 HydrophobicContact CE1-CB 4.35Å; Y201-D203 PolarHBondContact O-N 2.97Å; Y201-K440 WeakPolarHBondContact OH-CE 3.41Å
202I84.4Confident89.3Confident18 Ų1825.3 Ų25.39%0.09214%0.141CC..  trans-79.8117.3173-52.6-51.7000107.7I130 K200 P205 D278 Y284I130-I202 HydrophobicContact CG2-CD1 4.46Å; K200-I202 HydrophobicContact CG-CD1 4.22Å; K200-I202 PolarHBondContact O-N 3.48Å; I202-P205 HydrophobicContact CB-CB 4.28Å; I202-P205 HydrophobicContact CG2-CB 3.97Å; I202-P205 VanDerWaalsContact O-CD 3.28Å; I202-P205 WeakPolarHBondContact O-CD 3.29Å; I202-P205 WeakPolarHBondContact O-CG 3.39Å; I202-D278 HydrophobicContact CG2-CB 3.74Å; I202-Y284 HydrophobicContact CD1-CD2 4.21Å; I202-Y284 HydrophobicContact CD1-CE2 3.96Å; I202-Y284 HydrophobicContact CG1-CD2 4.19Å; I202-Y284 HydrophobicContact CG1-CE2 4.34Å
203D79.7Confident90.2Very high76 Ų7621.8 Ų21.841%0.40611%0.105SC..SBendtrans-77.9141.4178.3-170.235.8000111.5Y201 K440Y201-D203 HydrophobicContact CE1-CB 4.35Å; Y201-D203 PolarHBondContact O-N 2.97Å; D203-K440 IonicContact OD1-NZ 3.13Å; D203-K440 PolarHBondContact OD1-NZ 2.89Å
204N84.5Confident91.2Very high56 Ų5620.3 Ų20.330%0.29910%0.097SC..SBendtrans48.247.2-178.2-59.2-37.3000114.5T438 K440N204-T438 HydrophobicContact CB-CG2 4.06Å; N204-T438 WeakPolarHBondContact O-CG2 3.15Å; N204-K440 WeakPolarHBondContact OD1-CD 2.98Å; N204-K440 WeakPolarHBondContact OD1-CE 3.35Å; N204-K440 PolarHBondContact OD1-NZ 2.93Å
205P91.6Very high91.8Very high9 Ų917.2 Ų17.26%0.0588%0.08CC..  trans-74.7148.9-173.732.3-31.1000110.3I202 L276 V277 T439I202-P205 HydrophobicContact CB-CB 4.28Å; I202-P205 HydrophobicContact CG2-CB 3.97Å; I202-P205 VanDerWaalsContact O-CD 3.28Å; I202-P205 WeakPolarHBondContact O-CD 3.29Å; I202-P205 WeakPolarHBondContact O-CG 3.39Å; P205-L276 HydrophobicContact CB-CB 4.38Å; P205-L276 HydrophobicContact CB-CD2 4.13Å; P205-L276 HydrophobicContact CG-CD2 4.41Å; P205-V277 WeakPolarHBondContact CA-O 3.47Å; P205-T439 WeakPolarHBondContact CD-OG1 3.39Å; P205-T439 WeakPolarHBondContact CG-OG1 3.41Å; P205-T439 WeakPolarHBondContact O-CG2 3.45Å; P205-T439 PolarHBondContact O-N 3.21Å; P205-T439 PolarHBondContact O-OG1 3.04Å
206R96.3Very high92Very high18 Ų1818.9 Ų18.97%0.0689%0.09CC..EExtended strand (participates in β ladder)trans-89.9145.2161.1-68.5173.9-179-96.8-4.6109.9I208 E227 S229 L276 V277 G435 I437R206-I208 HydrophobicContact CB-CD1 4.07Å; R206-I208 HydrophobicContact CB-CG1 4.31Å; R206-E227 IonicContact NH1-OE2 3.61Å; R206-S229 WeakPolarHBondContact CA-OG 3.34Å; R206-S229 WeakPolarHBondContact CB-OG 3.37Å; R206-L276 WeakPolarHBondContact O-CA 3.38Å; R206-V277 HydrophobicContact CB-CB 4.21Å; R206-V277 PolarHBondContact N-O 3.25Å; R206-V277 PolarHBondContact O-N 2.68Å; R206-G435 PolarHBondContact NH1-O 3.36Å; R206-G435 VanDerWaalsContact NH1-O 3.11Å; R206-G435 PolarHBondContact NH2-O 2.96Å; R206-I437 WeakPolarHBondContact CG-O 3.29Å; R206-I437 PolarHBondContact NE-O 2.76Å; R206-I437 VanDerWaalsContact NH1-CG1 3.26Å; R206-I437 PolarHBondContact NH1-O 2.58Å; R206-I437 PolarHBondContact NH2-O 2.69Å
207H97Very high92.4Very high15 Ų1523.1 Ų23.17%0.06911%0.109CC..EExtended strand (participates in β ladder)trans-101.8106.3172.9-167.9149.7000108.1C228 S229 Q231 E274 T439H207-C228 WeakPolarHBondContact O-CA 3.29Å; H207-C228 PolarHBondContact O-N 2.94Å; H207-S229 PolarHBondContact N-OG 3.22Å; H207-S229 PolarHBondContact O-N 2.75Å; H207-Q231 VanDerWaalsContact CB-NE2 3.32Å; H207-Q231 VanDerWaalsContact CG-NE2 3.31Å; H207-Q231 PolarHBondContact ND1-NE2 2.83Å; H207-E274 IonicContact CE1-OE2 3.24Å; H207-E274 PolarHBondContact CE1-OE2 3.15Å; H207-E274 VanDerWaalsContact NE2-CD 3.29Å; H207-E274 IonicContact NE2-OE1 3.01Å; H207-E274 IonicContact NE2-OE2 2.72Å; H207-E274 PolarHBondContact NE2-OE2 2.8Å; H207-T439 HydrophobicContact CB-CG2 4.04Å
208I98.2Very high92.6Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-125.4139.2-179.2-65.3161.3000108.7R206 E225 R226 E227 V246 M254 F275 V277R206-I208 HydrophobicContact CB-CD1 4.07Å; R206-I208 HydrophobicContact CB-CG1 4.31Å; I208-E225 HydrophobicContact CG2-CB 3.84Å; I208-E225 HydrophobicContact CG2-CG 3.96Å; I208-R226 WeakPolarHBondContact CA-O 3.36Å; I208-E227 WeakPolarHBondContact CG1-OE2 3.27Å; I208-V246 HydrophobicContact CD1-CG2 3.62Å; I208-V246 HydrophobicContact CG1-CG2 4.49Å; I208-V246 HydrophobicContact CG2-CG2 4.01Å; I208-M254 HydrophobicContact CB-CE 4.26Å; I208-M254 HydrophobicContact CG2-CE 3.67Å; I208-F275 PolarHBondContact N-O 2.83Å; I208-F275 CarbonylContact O-C 3.51Å; I208-F275 WeakPolarHBondContact O-CA 3.37Å; I208-F275 WeakPolarHBondContact O-CB 3.29Å; I208-F275 PolarHBondContact O-N 3.4Å; I208-V277 HydrophobicContact CB-CG2 3.97Å; I208-V277 HydrophobicContact CD1-CB 3.97Å; I208-V277 HydrophobicContact CD1-CG1 4.37Å; I208-V277 HydrophobicContact CD1-CG2 3.62Å; I208-V277 HydrophobicContact CG1-CG2 4.21Å
209E98.1Very high93Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-136.1146.4-173.866.3-174.6-150.300112.6E225 R226 C228 K236 T272 V273 E274 Q293E209-E225 CarbonylContact O-C 3.57Å; E209-E225 WeakPolarHBondContact O-CA 3.32Å; E209-E225 WeakPolarHBondContact O-CB 3.41Å; E209-R226 HydrophobicContact CG-CB 3.86Å; E209-R226 PolarHBondContact N-O 2.83Å; E209-R226 PolarHBondContact O-N 2.88Å; E209-R226 IonicContact OE1-CZ 3.73Å; E209-R226 IonicContact OE1-NE 2.8Å; E209-R226 PolarHBondContact OE1-NE 3.35Å; E209-R226 IonicContact OE1-NH2 2.95Å; E209-R226 PolarHBondContact OE1-NH2 3.01Å; E209-C228 VanDerWaalsContact CD-SG 3.55Å; E209-K236 IonicContact OE1-NZ 3.26Å; E209-K236 IonicContact OE2-NZ 3.08Å; E209-K236 PolarHBondContact OE2-NZ 3.47Å; E209-T272 HydrophobicContact CB-CG2 3.58Å; E209-T272 HydrophobicContact CG-CG2 3.71Å; E209-V273 CarbonylContact C-O 3.51Å; E209-V273 VanDerWaalsContact CA-O 3.29Å; E209-V273 WeakPolarHBondContact CA-O 3.46Å; E209-E274 HydrophobicContact CB-CB 4.25Å; E209-E274 HydrophobicContact CB-CG 3.92Å; E209-E274 VanDerWaalsContact OE2-OE1 3.08Å; E209-Q293 PolarHBondContact OE1-OE1 3.44Å
210M98.2Very high93.3Very high0 Ų030.1 Ų30.10%016%0.163CC..EExtended strand (participates in β ladder)trans-102.3120.4178.1-65.4-55.8-72.500110.5W222 E225 R251 M254 A258 T272 V273 F275M210-W222 HydrophobicContact CE-CB 4.05Å; M210-W222 HydrophobicContact CE-CG 3.89Å; M210-E225 HydrophobicContact SD-CB 3.43Å; M210-E225 WeakPolarHBondContact SD-CB 3.34Å; M210-R251 HydrophobicContact CE-CG 4.37Å; M210-M254 HydrophobicContact CG-CB 3.88Å; M210-M254 HydrophobicContact CG-CE 4.43Å; M210-M254 HydrophobicContact SD-CB 3.99Å; M210-A258 HydrophobicContact CB-CB 3.79Å; M210-A258 HydrophobicContact CG-CB 4.21Å; M210-T272 WeakPolarHBondContact O-CA 3.36Å; M210-T272 WeakPolarHBondContact O-CG2 3.17Å; M210-V273 PolarHBondContact N-O 3.33Å; M210-V273 PolarHBondContact O-N 2.91Å; M210-F275 HydrophobicContact CB-CE2 4.41Å; M210-F275 HydrophobicContact CG-CD2 4.44Å; M210-F275 HydrophobicContact CG-CE2 3.92Å
211Q97.8Very high93.7Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-72.3128.7168.2179.66461.300109.3W222 L223 N224 G271 T272 T299 L307Q211-W222 CarbonylContact O-C 3.51Å; Q211-W222 VanDerWaalsContact O-CA 3.26Å; Q211-W222 WeakPolarHBondContact O-CA 3.4Å; Q211-L223 HydrophobicContact CB-CB 4Å; Q211-L223 HydrophobicContact CG-CB 3.83Å; Q211-L223 HydrophobicContact CG-CD1 4.14Å; Q211-L223 HydrophobicContact CG-CG 4.3Å; Q211-L223 PolarHBondContact O-N 2.69Å; Q211-N224 PolarHBondContact N-O 3.21Å; Q211-G271 PolarHBondContact NE2-O 3.49Å; Q211-T272 PolarHBondContact OE1-OG1 3.09Å; Q211-T299 HydrophobicContact CB-CG2 4.26Å; Q211-T299 HydrophobicContact CG-CG2 4.12Å; Q211-L307 HydrophobicContact CG-CD2 4.05Å
212V97.7Very high94.2Very high0 Ų028.2 Ų28.20%016%0.155CC..EExtended strand (participates in β ladder)trans-122.2150.7174.5-63.30000111.7V221 W222 A258 A262 G271 V273 M288V212-V221 WeakPolarHBondContact CA-O 3.49Å; V212-W222 HydrophobicContact CG1-CB 4.32Å; V212-A258 HydrophobicContact CG1-CB 3.8Å; V212-A262 HydrophobicContact CG2-CB 4.38Å; V212-G271 VanDerWaalsContact CG2-O 3.26Å; V212-G271 WeakPolarHBondContact CG2-O 3.26Å; V212-G271 PolarHBondContact N-O 3.31Å; V212-G271 PolarHBondContact O-N 2.9Å; V212-V273 HydrophobicContact CG2-CG2 4.47Å; V212-M288 HydrophobicContact CG2-CE 4.02Å
213F96.3Very high94.9Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-124.7134.3164.7-95.4-54.4000109.6A220 V221 L223 S269 A270 L307 Q310 M311 I314 L320 F322F213-A220 CarbonylContact O-C 3.46Å; F213-A220 VanDerWaalsContact O-CA 3.31Å; F213-A220 WeakPolarHBondContact O-CA 3.32Å; F213-V221 HydrophobicContact CB-CG2 3.85Å; F213-V221 PolarHBondContact N-O 2.86Å; F213-V221 PolarHBondContact O-N 2.74Å; F213-L223 HydrophobicContact CD2-CD1 3.51Å; F213-L223 HydrophobicContact CD2-CG 4.19Å; F213-L223 HydrophobicContact CE2-CD1 3.63Å; F213-S269 WeakPolarHBondContact CD1-O 3.36Å; F213-A270 HydrophobicContact CD1-CB 4.14Å; F213-A270 HydrophobicContact CE1-CB 3.51Å; F213-A270 HydrophobicContact CZ-CB 3.98Å; F213-L307 HydrophobicContact CE2-CB 4.29Å; F213-L307 HydrophobicContact CE2-CD1 4.02Å; F213-L307 HydrophobicContact CE2-CG 3.68Å; F213-L307 HydrophobicContact CZ-CB 4.03Å; F213-L307 HydrophobicContact CZ-CG 3.84Å; F213-L307 WeakPolarHBondContact CZ-O 3.47Å; F213-Q310 HydrophobicContact CD2-CB 4.36Å; F213-Q310 HydrophobicContact CE1-CB 3.91Å; F213-Q310 HydrophobicContact CE2-CB 3.7Å; F213-Q310 HydrophobicContact CE2-CG 4.17Å; F213-Q310 HydrophobicContact CZ-CB 3.48Å; F213-Q310 VanDerWaalsContact CZ-CB 3.48Å; F213-Q310 HydrophobicContact CZ-CG 4.42Å; F213-M311 HydrophobicContact CE1-CG 3.81Å; F213-M311 HydrophobicContact CZ-CG 4.21Å; F213-I314 HydrophobicContact CD1-CD1 3.39Å; F213-I314 HydrophobicContact CE1-CD1 3.85Å; F213-I314 HydrophobicContact CG-CD1 4.17Å; F213-L320 HydrophobicContact CB-CD2 4.05Å; F213-F322 HydrophobicContact CD2-CZ 4.43Å
214C97.5Very high95.7Very high1 Ų124.1 Ų24.11%0.00713%0.133CC..EExtended strand (participates in β ladder)trans-125.4138.4169.8-58.60000109.4N219 A220 A262 Y267 D268 S269 I314C214-N219 CarbonylContact C-O 3.44Å; C214-N219 VanDerWaalsContact CA-O 3.26Å; C214-N219 WeakPolarHBondContact CA-O 3.27Å; C214-A220 VanDerWaalsContact SG-CB 3.53Å; C214-A262 VanDerWaalsContact SG-CB 3.53Å; C214-Y267 HydrophobicContact CB-CD1 4.38Å; C214-Y267 WeakPolarHBondContact CB-O 3.42Å; C214-D268 CarbonylContact O-C 3.5Å; C214-D268 WeakPolarHBondContact O-CA 3.3Å; C214-S269 PolarHBondContact N-O 3.49Å; C214-S269 VanDerWaalsContact N-O 3.17Å; C214-S269 PolarHBondContact O-N 3.34Å; C214-I314 WeakPolarHBondContact O-CG2 3.11Å
215D95.6Very high96.3Very high5 Ų521.4 Ų21.43%0.02712%0.119CC..  trans-96.4172.7169.566.825.3000112.3H217 G218 N219 I314 K319 L320D215-H217 PolarHBondContact O-N 2.8Å; D215-H217 VanDerWaalsContact O-N 3.15Å; D215-H217 VanDerWaalsContact OD1-CA 3.3Å; D215-H217 WeakPolarHBondContact OD1-CA 3.33Å; D215-H217 WeakPolarHBondContact OD1-CB 3.49Å; D215-H217 PolarHBondContact OD1-N 3.44Å; D215-G218 PolarHBondContact OD1-N 3.06Å; D215-N219 PolarHBondContact N-O 2.82Å; D215-N219 WeakPolarHBondContact OD1-CB 3.45Å; D215-N219 PolarHBondContact OD1-N 3.38Å; D215-N219 PolarHBondContact OD1-ND2 3.39Å; D215-N219 PolarHBondContact OD2-ND2 2.88Å; D215-I314 HydrophobicContact CB-CG1 4.43Å; D215-K319 VanDerWaalsContact OD2-CA 3.3Å; D215-K319 WeakPolarHBondContact OD2-CA 3.41Å; D215-L320 HydrophobicContact CB-CG 3.99Å; D215-L320 PolarHBondContact OD2-N 3.25Å
216K93.2Very high96.7Very high104 Ų10421 Ų2145%0.45212%0.116SC..THydrogen-bonded Turntrans-75.27.6177.1-61.6-177.9177.5175.90113.6D268 A315K216-D268 WeakPolarHBondContact CE-OD2 3.35Å; K216-D268 HydrophobicContact CG-CB 4.14Å; K216-A315 PolarHBondContact NZ-O 3.32Å
217H94.8Very high96.7Very high89 Ų8920.2 Ų20.241%0.41211%0.113SC..THydrogen-bonded Turntrans-115.413-174.8-57.1-97.8000112.3D215 G317 K319D215-H217 PolarHBondContact O-N 2.8Å; D215-H217 VanDerWaalsContact O-N 3.15Å; D215-H217 VanDerWaalsContact OD1-CA 3.3Å; D215-H217 WeakPolarHBondContact OD1-CA 3.33Å; D215-H217 WeakPolarHBondContact OD1-CB 3.49Å; D215-H217 PolarHBondContact OD1-N 3.44Å; H217-G317 PolarHBondContact NE2-O 2.8Å; H217-K319 HydrophobicContact CB-CD 4.35Å; H217-K319 HydrophobicContact CB-CG 3.93Å; H217-K319 WeakPolarHBondContact CD2-CG 3.4Å; H217-K319 VanDerWaalsContact CG-CG 3.43Å; H217-K319 VanDerWaalsContact ND1-CE 3.31Å; H217-K319 WeakPolarHBondContact ND1-CE 3.24Å
218G90.9Very high96.8Very high55 Ų5519.5 Ų19.557%0.56711%0.11SC*.SBendtrans81.413.5177.700000114.4D215D215-G218 PolarHBondContact OD1-N 3.06Å
219N95.5Very high96.7Very high76 Ų7619.6 Ų19.641%0.40611%0.111SC..  trans-95.2137.2175-50.7-68.1000110.3C214 D215 L320C214-N219 CarbonylContact C-O 3.44Å; C214-N219 VanDerWaalsContact CA-O 3.26Å; C214-N219 WeakPolarHBondContact CA-O 3.27Å; D215-N219 PolarHBondContact N-O 2.82Å; D215-N219 WeakPolarHBondContact OD1-CB 3.45Å; D215-N219 PolarHBondContact OD1-N 3.38Å; D215-N219 PolarHBondContact OD1-ND2 3.39Å; D215-N219 PolarHBondContact OD2-ND2 2.88Å; N219-L320 HydrophobicContact CB-CD1 4.23Å
220A96.9Very high96.7Very high25 Ų2519.7 Ų19.721%0.20711%0.111CC..EExtended strand (participates in β ladder)trans-131.5141.6173.500000110.7F213 C214 C259 L263F213-A220 CarbonylContact O-C 3.46Å; F213-A220 VanDerWaalsContact O-CA 3.31Å; F213-A220 WeakPolarHBondContact O-CA 3.32Å; C214-A220 VanDerWaalsContact SG-CB 3.53Å; A220-C259 HydrophobicContact CB-CB 4.09Å; A220-L263 HydrophobicContact CB-CD1 4.09Å; A220-L263 HydrophobicContact CB-CD2 3.76Å; A220-L263 HydrophobicContact CB-CG 3.75Å
221V97.8Very high96.4Very high6 Ų620.2 Ų20.24%0.03611%0.114CC..EExtended strand (participates in β ladder)trans-138146.9175.5-62.80000110V212 F213 C259 L320 F322V212-V221 WeakPolarHBondContact CA-O 3.49Å; F213-V221 HydrophobicContact CB-CG2 3.85Å; F213-V221 PolarHBondContact N-O 2.86Å; F213-V221 PolarHBondContact O-N 2.74Å; V221-C259 VanDerWaalsContact C-SG 3.53Å; V221-L320 HydrophobicContact CB-CD1 4.43Å; V221-L320 HydrophobicContact CG1-CD1 4.01Å; V221-L320 HydrophobicContact CG2-CD1 3.71Å; V221-F322 HydrophobicContact CG2-CD2 4.36Å; V221-F322 HydrophobicContact CG2-CE2 3.62Å; V221-F322 HydrophobicContact CG2-CZ 4.36Å
222W97.4Very high95.9Very high39 Ų3921.9 Ų21.915%0.14812%0.12CC..EExtended strand (participates in β ladder)trans-102.4134.4170.468.789.6000110.5M210 Q211 V212 N224 Q256 Q324M210-W222 HydrophobicContact CE-CB 4.05Å; M210-W222 HydrophobicContact CE-CG 3.89Å; Q211-W222 CarbonylContact O-C 3.51Å; Q211-W222 VanDerWaalsContact O-CA 3.26Å; Q211-W222 WeakPolarHBondContact O-CA 3.4Å; V212-W222 HydrophobicContact CG1-CB 4.32Å; W222-N224 VanDerWaalsContact C-N 3.29Å; W222-N224 PolarHBondContact O-N 2.74Å; W222-Q256 HydrophobicContact CH2-CG 4.12Å; W222-Q256 HydrophobicContact CZ3-CG 4.26Å; W222-Q324 HydrophobicContact CD2-CG 4.2Å; W222-Q324 VanDerWaalsContact CE2-NE2 3.29Å; W222-Q324 VanDerWaalsContact CE3-CD 3.48Å; W222-Q324 HydrophobicContact CE3-CG 4.09Å; W222-Q324 HydrophobicContact CH2-CG 3.5Å; W222-Q324 VanDerWaalsContact CH2-CG 3.5Å; W222-Q324 HydrophobicContact CZ2-CG 3.6Å; W222-Q324 HydrophobicContact CZ3-CG 3.74Å; W222-Q324 PolarHBondContact O-NE2 2.59Å; W222-Q324 PolarHBondContact O-OE1 2.84Å
223L97.2Very high95Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-97.842.3179.4-61.2-171.9000112Q211 F213 T299 T303 V305 L307 F322 V327Q211-L223 HydrophobicContact CB-CB 4Å; Q211-L223 HydrophobicContact CG-CB 3.83Å; Q211-L223 HydrophobicContact CG-CD1 4.14Å; Q211-L223 HydrophobicContact CG-CG 4.3Å; Q211-L223 PolarHBondContact O-N 2.69Å; F213-L223 HydrophobicContact CD2-CD1 3.51Å; F213-L223 HydrophobicContact CD2-CG 4.19Å; F213-L223 HydrophobicContact CE2-CD1 3.63Å; L223-T299 HydrophobicContact CB-CG2 3.62Å; L223-T299 HydrophobicContact CD1-CG2 4.18Å; L223-T299 WeakPolarHBondContact O-CG2 3.33Å; L223-T303 HydrophobicContact CB-CG2 4.27Å; L223-V305 HydrophobicContact CD1-CB 4.39Å; L223-V305 HydrophobicContact CD1-CG1 4.26Å; L223-V305 HydrophobicContact CD2-CG2 4.45Å; L223-L307 HydrophobicContact CD1-CD1 3.56Å; L223-L307 HydrophobicContact CD1-CG 4.24Å; L223-F322 HydrophobicContact CD2-CE2 3.74Å; L223-F322 HydrophobicContact CD2-CZ 4.17Å; L223-V327 HydrophobicContact CD2-CB 4.47Å; L223-V327 HydrophobicContact CD2-CG1 3.78Å; L223-V327 HydrophobicContact CD2-CG2 3.76Å
224N97.1Very high94.2Very high8 Ų834 Ų344%0.04317%0.173CC..EExtended strand (participates in β ladder)trans60.8-176.1-175.2-50.5-59000113.4Q211 W222 I302 P328 I329Q211-N224 PolarHBondContact N-O 3.21Å; W222-N224 VanDerWaalsContact C-N 3.29Å; W222-N224 PolarHBondContact O-N 2.74Å; N224-I302 HydrophobicContact CB-CD1 4.35Å; N224-P328 PolarHBondContact ND2-O 2.85Å; N224-I329 WeakPolarHBondContact ND2-CG1 3.36Å
225E98.2Very high93.6Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-95.8156.6-175.782.1-70.2-179.100113.6I208 E209 M210 P242 S243 V246 R251I208-E225 HydrophobicContact CG2-CB 3.84Å; I208-E225 HydrophobicContact CG2-CG 3.96Å; E209-E225 CarbonylContact O-C 3.57Å; E209-E225 WeakPolarHBondContact O-CA 3.32Å; E209-E225 WeakPolarHBondContact O-CB 3.41Å; M210-E225 HydrophobicContact SD-CB 3.43Å; M210-E225 WeakPolarHBondContact SD-CB 3.34Å; E225-P242 WeakPolarHBondContact OE1-CA 3.45Å; E225-P242 WeakPolarHBondContact OE1-CB 3.41Å; E225-S243 PolarHBondContact OE1-N 3.24Å; E225-V246 HydrophobicContact CG-CB 4.32Å; E225-V246 HydrophobicContact CG-CG1 4.43Å; E225-V246 HydrophobicContact CG-CG2 4.18Å; E225-R251 IonicContact OE1-CZ 3.07Å; E225-R251 IonicContact OE1-NE 3.46Å; E225-R251 PolarHBondContact OE1-NE 3.48Å; E225-R251 IonicContact OE1-NH2 2.92Å; E225-R251 PolarHBondContact OE1-NH2 2.76Å; E225-R251 WeakPolarHBondContact OE2-CD 3.3Å; E225-R251 IonicContact OE2-CZ 3.86Å; E225-R251 IonicContact OE2-NE 3.62Å; E225-R251 PolarHBondContact OE2-NE 2.97Å; E225-R251 IonicContact OE2-NH2 3.17Å
226R98.4Very high93.5Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-117.4137.6163.3-61.1-177.5-69.6-99.70.3109.6I208 E209 E240 A241 T272 E295 I298 T299I208-R226 WeakPolarHBondContact CA-O 3.36Å; E209-R226 HydrophobicContact CG-CB 3.86Å; E209-R226 PolarHBondContact N-O 2.83Å; E209-R226 PolarHBondContact O-N 2.88Å; E209-R226 IonicContact OE1-CZ 3.73Å; E209-R226 IonicContact OE1-NE 2.8Å; E209-R226 PolarHBondContact OE1-NE 3.35Å; E209-R226 IonicContact OE1-NH2 2.95Å; E209-R226 PolarHBondContact OE1-NH2 3.01Å; R226-E240 CarbonylContact C-O 3.58Å; R226-E240 WeakPolarHBondContact CA-O 3.37Å; R226-A241 HydrophobicContact CG-CB 4.25Å; R226-T272 VanDerWaalsContact NH2-CG2 3.32Å; R226-T272 PolarHBondContact NH2-OG1 3.45Å; R226-E295 WeakPolarHBondContact CD-O 3.22Å; R226-I298 HydrophobicContact CB-CD1 4.15Å; R226-I298 HydrophobicContact CG-CD1 3.79Å; R226-I298 HydrophobicContact CG-CG1 4.2Å; R226-T299 WeakPolarHBondContact CD-OG1 3.41Å; R226-T299 PolarHBondContact NH1-OG1 3.46Å
227E98.1Very high93.6Very high2 Ų232.2 Ų32.21%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-93115.4170.5177.973.4-111.900108.5R206 I208 S229 E239 E240 S243 I437R206-E227 IonicContact NH1-OE2 3.61Å; I208-E227 WeakPolarHBondContact CG1-OE2 3.27Å; E227-S229 VanDerWaalsContact OE1-CB 3.26Å; E227-S229 WeakPolarHBondContact OE1-CB 3.17Å; E227-S229 PolarHBondContact OE1-OG 2.86Å; E227-E239 VanDerWaalsContact O-CA 3.27Å; E227-E239 WeakPolarHBondContact O-CA 3.33Å; E227-E240 HydrophobicContact CB-CG 3.72Å; E227-E240 HydrophobicContact CG-CG 4.14Å; E227-E240 PolarHBondContact N-O 3.15Å; E227-E240 PolarHBondContact O-N 3.29Å; E227-S243 PolarHBondContact OE2-OG 3.02Å; E227-I437 HydrophobicContact CG-CD1 3.89Å
228C97.7Very high93.8Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-119.220.8-174.5-59.10000111.9H207 E209 I230 Q231 K236 E239H207-C228 WeakPolarHBondContact O-CA 3.29Å; H207-C228 PolarHBondContact O-N 2.94Å; E209-C228 VanDerWaalsContact CD-SG 3.55Å; C228-I230 VanDerWaalsContact C-N 3.26Å; C228-I230 PolarHBondContact O-N 3.45Å; C228-Q231 WeakPolarHBondContact O-CG 3.38Å; C228-Q231 PolarHBondContact O-NE2 3.45Å; C228-K236 HydrophobicContact CB-CD 3.88Å; C228-K236 HydrophobicContact CB-CG 4.22Å; C228-E239 HydrophobicContact CB-CG 4.34Å
229S97.1Very high94.1Very high1 Ų125.5 Ų25.51%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-63.5-23.7-174.8-72.70000114.9R206 H207 E227 Q231 T439R206-S229 WeakPolarHBondContact CA-OG 3.34Å; R206-S229 WeakPolarHBondContact CB-OG 3.37Å; H207-S229 PolarHBondContact N-OG 3.22Å; H207-S229 PolarHBondContact O-N 2.75Å; E227-S229 VanDerWaalsContact OE1-CB 3.26Å; E227-S229 WeakPolarHBondContact OE1-CB 3.17Å; E227-S229 PolarHBondContact OE1-OG 2.86Å; S229-Q231 PolarHBondContact O-N 2.78Å; S229-Q231 VanDerWaalsContact O-N 3.08Å; S229-T439 WeakPolarHBondContact O-CA 3.5Å
230I96.6Very high94.3Very high3 Ų322 Ų222%0.01510%0.101CC..EExtended strand (participates in β ladder)trans-80.698-179.8-50.9-60000109.5C228 V237 I238 Y432 I437 Y441 L442C228-I230 VanDerWaalsContact C-N 3.26Å; C228-I230 PolarHBondContact O-N 3.45Å; I230-V237 HydrophobicContact CG2-CB 4.38Å; I230-V237 PolarHBondContact O-N 2.92Å; I230-I238 HydrophobicContact CB-CB 3.9Å; I230-I238 HydrophobicContact CG1-CB 4.24Å; I230-I238 HydrophobicContact CG2-CB 4.02Å; I230-I238 HydrophobicContact CG2-CD1 4.2Å; I230-I238 HydrophobicContact CG2-CG1 4.1Å; I230-I238 PolarHBondContact O-N 2.88Å; I230-Y432 HydrophobicContact CD1-CD2 4.1Å; I230-Y432 HydrophobicContact CD1-CE2 4.43Å; I230-Y432 HydrophobicContact CG1-CD2 4.23Å; I230-Y432 HydrophobicContact CG1-CE2 4.07Å; I230-I437 HydrophobicContact CD1-CB 3.94Å; I230-I437 HydrophobicContact CD1-CD1 4.04Å; I230-I437 HydrophobicContact CD1-CG2 3.96Å; I230-I437 HydrophobicContact CG1-CD1 4.28Å; I230-Y441 HydrophobicContact CD1-CD1 3.43Å; I230-Y441 VanDerWaalsContact CD1-CD1 3.43Å; I230-Y441 HydrophobicContact CD1-CD2 4.31Å; I230-Y441 HydrophobicContact CD1-CE1 3.99Å; I230-Y441 HydrophobicContact CD1-CG 3.62Å; I230-Y441 HydrophobicContact CG2-CD1 4.37Å; I230-L442 HydrophobicContact CG2-CD1 4.38Å; I230-L442 HydrophobicContact CG2-CD2 3.99Å; I230-L442 HydrophobicContact CG2-CG 4.14Å
231Q92.7Very high94.4Very high11 Ų1120.8 Ų20.85%0.0519%0.091CC..EExtended strand (participates in β ladder)trans-135.9148-172.5-51.6-179.37.800112.2H207 C228 S229 Q235 K236 L442H207-Q231 VanDerWaalsContact CB-NE2 3.32Å; H207-Q231 VanDerWaalsContact CG-NE2 3.31Å; H207-Q231 PolarHBondContact ND1-NE2 2.83Å; C228-Q231 WeakPolarHBondContact O-CG 3.38Å; C228-Q231 PolarHBondContact O-NE2 3.45Å; S229-Q231 PolarHBondContact O-N 2.78Å; S229-Q231 VanDerWaalsContact O-N 3.08Å; Q231-Q235 CarbonylContact C-O 3.59Å; Q231-Q235 VanDerWaalsContact CA-O 3.23Å; Q231-Q235 WeakPolarHBondContact CA-O 3.13Å; Q231-K236 HydrophobicContact CG-CG 4.36Å; Q231-L442 WeakPolarHBondContact O-CD1 3.14Å
232R87.3Confident94.4Very high35 Ų3520.8 Ų20.813%0.1329%0.091CC..EExtended strand (participates in β ladder)trans-117.3113.9172.4179.417754.4133.41.1109.2N234 Q235 V237 E341 F347 G348 L442R232-N234 VanDerWaalsContact C-N 3.26Å; R232-N234 PolarHBondContact O-N 2.6Å; R232-Q235 PolarHBondContact N-O 3.18Å; R232-Q235 VanDerWaalsContact O-CB 3.23Å; R232-Q235 WeakPolarHBondContact O-CB 3.47Å; R232-Q235 PolarHBondContact O-N 3.43Å; R232-V237 HydrophobicContact CB-CG2 3.98Å; R232-E341 IonicContact CZ-OE1 3.71Å; R232-E341 IonicContact CZ-OE2 2.74Å; R232-E341 IonicContact NH1-OE2 2.73Å; R232-E341 VanDerWaalsContact NH2-CD 3.3Å; R232-E341 IonicContact NH2-OE1 2.82Å; R232-E341 PolarHBondContact NH2-OE1 3.33Å; R232-E341 IonicContact NH2-OE2 3.2Å; R232-E341 PolarHBondContact NH2-OE2 3.11Å; R232-F347 WeakPolarHBondContact CD-O 3.31Å; R232-F347 HydrophobicContact CG-CD1 4.2Å; R232-F347 PolarHBondContact NH1-O 3.46Å; R232-G348 PolarHBondContact NH1-O 2.81Å; R232-L442 HydrophobicContact CB-CD1 3.9Å
233R78.3Confident94.4Very high156 Ų15619 Ų1959%0.5899%0.085SC*.THydrogen-bonded Turntrans50.647.2-176.6-55.3177.6-176169.71.6111.7Q235 F443R233-Q235 PolarHBondContact O-N 3.04Å; R233-Q235 VanDerWaalsContact O-N 3.17Å; R233-F443 HydrophobicContact CG-CZ 4.49Å
234N80.5Confident94.3Very high99 Ų9921.2 Ų21.253%0.52910%0.099SC..THydrogen-bonded Turntrans64.47.7-175.6-45.9-42.2000115.6R232R232-N234 VanDerWaalsContact C-N 3.26Å; R232-N234 PolarHBondContact O-N 2.6Å
235Q85.3Confident94.3Very high52 Ų5222.6 Ų22.624%0.24311%0.105CC..EExtended strand (participates in β ladder)trans-90.1116.2170-179.25363.900109.1Q231 R232 R233 V237 Y339Q231-Q235 CarbonylContact C-O 3.59Å; Q231-Q235 VanDerWaalsContact CA-O 3.23Å; Q231-Q235 WeakPolarHBondContact CA-O 3.13Å; R232-Q235 PolarHBondContact N-O 3.18Å; R232-Q235 VanDerWaalsContact O-CB 3.23Å; R232-Q235 WeakPolarHBondContact O-CB 3.47Å; R232-Q235 PolarHBondContact O-N 3.43Å; R233-Q235 PolarHBondContact O-N 3.04Å; R233-Q235 VanDerWaalsContact O-N 3.17Å; Q235-V237 WeakPolarHBondContact O-CG2 3.41Å; Q235-Y339 PolarHBondContact NE2-OH 2.96Å
236K93.5Very high94.2Very high17 Ų1723.1 Ų23.17%0.07411%0.108CC..EExtended strand (participates in β ladder)trans-59135.4175.4-57.8173.8176.6174.90110.9E209 C228 Q231 E239 E274 E295 R337E209-K236 IonicContact OE1-NZ 3.26Å; E209-K236 IonicContact OE2-NZ 3.08Å; E209-K236 PolarHBondContact OE2-NZ 3.47Å; C228-K236 HydrophobicContact CB-CD 3.88Å; C228-K236 HydrophobicContact CB-CG 4.22Å; Q231-K236 HydrophobicContact CG-CG 4.36Å; K236-E239 WeakPolarHBondContact CB-OE1 3.39Å; K236-E274 IonicContact NZ-OE1 2.92Å; K236-E274 PolarHBondContact NZ-OE1 2.97Å; K236-E295 WeakPolarHBondContact CD-OE1 3.45Å; K236-E295 WeakPolarHBondContact CE-OE1 2.99Å; K236-E295 IonicContact NZ-OE1 3.02Å; K236-E295 PolarHBondContact NZ-OE1 3.17Å; K236-R337 WeakPolarHBondContact O-CD 3.23Å; K236-R337 PolarHBondContact O-NE 2.85Å
237V94.8Very high94.1Very high2 Ų224.9 Ų24.91%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-122.3-43.6-174-176.20000111.8I230 R232 Q235 R337 L423 L442I230-V237 HydrophobicContact CG2-CB 4.38Å; I230-V237 PolarHBondContact O-N 2.92Å; R232-V237 HydrophobicContact CB-CG2 3.98Å; Q235-V237 WeakPolarHBondContact O-CG2 3.41Å; V237-R337 PolarHBondContact O-N 3.31Å; V237-L423 HydrophobicContact CG1-CD2 3.67Å; V237-L442 HydrophobicContact CG2-CD1 4.23Å
238I98.3Very high94Very high2 Ų229.5 Ų29.51%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-134.3134.7176.6-55.4178.5000108.4I230 I334 E335 L423 I426 M427 Y432I230-I238 HydrophobicContact CB-CB 3.9Å; I230-I238 HydrophobicContact CG1-CB 4.24Å; I230-I238 HydrophobicContact CG2-CB 4.02Å; I230-I238 HydrophobicContact CG2-CD1 4.2Å; I230-I238 HydrophobicContact CG2-CG1 4.1Å; I230-I238 PolarHBondContact O-N 2.88Å; I238-I334 HydrophobicContact CG2-CG2 3.96Å; I238-E335 WeakPolarHBondContact CA-O 3.45Å; I238-L423 HydrophobicContact CD1-CD2 3.9Å; I238-L423 HydrophobicContact CG1-CD2 3.69Å; I238-I426 HydrophobicContact CD1-CB 3.99Å; I238-I426 HydrophobicContact CD1-CD1 3.83Å; I238-I426 HydrophobicContact CD1-CG2 3.65Å; I238-M427 HydrophobicContact CD1-CE 3.68Å; I238-M427 HydrophobicContact CG2-CE 3.9Å; I238-Y432 HydrophobicContact CG2-CE2 4.29Å
239E98.4Very high94Very high1 Ų135.1 Ų35.11%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-128.6147.2178.4-56.187.4170.400110.5E227 C228 K236 E295 I298 I334 E335 R337E227-E239 VanDerWaalsContact O-CA 3.27Å; E227-E239 WeakPolarHBondContact O-CA 3.33Å; C228-E239 HydrophobicContact CB-CG 4.34Å; K236-E239 WeakPolarHBondContact CB-OE1 3.39Å; E239-E295 HydrophobicContact CB-CB 4.01Å; E239-E295 HydrophobicContact CG-CB 3.75Å; E239-E295 HydrophobicContact CG-CG 4.08Å; E239-I298 HydrophobicContact CB-CD1 3.64Å; E239-I334 CarbonylContact O-C 3.32Å; E239-I334 WeakPolarHBondContact O-CA 3.19Å; E239-E335 PolarHBondContact N-O 2.78Å; E239-E335 PolarHBondContact O-N 3.34Å; E239-R337 IonicContact OE1-CZ 2.67Å; E239-R337 IonicContact OE1-NE 3.68Å; E239-R337 PolarHBondContact OE1-NE 3.49Å; E239-R337 IonicContact OE1-NH2 3.92Å; E239-R337 PolarHBondContact OE1-NH2 3.08Å; E239-R337 IonicContact OE2-NE 2.7Å
240E98.5Very high94Very high2 Ų235.6 Ų35.61%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-138.6149.9174.865177.1136.700112.8R226 E227 W332 A333 I334 R397R226-E240 CarbonylContact C-O 3.58Å; R226-E240 WeakPolarHBondContact CA-O 3.37Å; E227-E240 HydrophobicContact CB-CG 3.72Å; E227-E240 HydrophobicContact CG-CG 4.14Å; E227-E240 PolarHBondContact N-O 3.15Å; E227-E240 PolarHBondContact O-N 3.29Å; E240-W332 PolarHBondContact OE2-NE1 3.43Å; E240-A333 CarbonylContact C-O 3.44Å; E240-A333 VanDerWaalsContact CA-O 3.26Å; E240-A333 WeakPolarHBondContact CA-O 3.37Å; E240-I334 HydrophobicContact CB-CG1 3.97Å; E240-R397 IonicContact OE1-CZ 3.7Å; E240-R397 IonicContact OE1-NE 2.65Å; E240-R397 PolarHBondContact OE1-NE 2.98Å; E240-R397 IonicContact OE1-NH2 3.54Å; E240-R397 PolarHBondContact OE1-NH2 3.26Å; E240-R397 IonicContact OE2-CZ 2.79Å; E240-R397 IonicContact OE2-NE 3.54Å; E240-R397 PolarHBondContact OE2-NE 3.1Å; E240-R397 IonicContact OE2-NH2 3.62Å
241A98.6Very high94Very high0 Ų036.9 Ų36.90%018%0.182CC..EExtended strand (participates in β ladder)trans-138.6130.917500000110R226 I298 I302 W332 A333R226-A241 HydrophobicContact CG-CB 4.25Å; A241-I298 HydrophobicContact CB-CB 4.17Å; A241-I298 HydrophobicContact CB-CD1 4.03Å; A241-I298 HydrophobicContact CB-CG1 4.28Å; A241-I302 HydrophobicContact CB-CD1 3.72Å; A241-I302 HydrophobicContact CB-CG1 4.35Å; A241-I302 VanDerWaalsContact O-CG2 3.32Å; A241-I302 WeakPolarHBondContact O-CG2 3.35Å; A241-W332 WeakPolarHBondContact O-CA 3.31Å; A241-A333 PolarHBondContact N-O 2.84Å; A241-A333 PolarHBondContact O-N 3.07Å
242P98.2Very high94.2Very high6 Ų641.1 Ų41.14%0.03920%0.202CC..SBendcis-67.9177.6-8.330.2-35.8000113.1E225 I329 W332E225-P242 WeakPolarHBondContact OE1-CA 3.45Å; E225-P242 WeakPolarHBondContact OE1-CB 3.41Å; P242-I329 HydrophobicContact CG-CG2 4.04Å; P242-W332 HydrophobicContact CG-CD2 3.93Å; P242-W332 HydrophobicContact CG-CE3 3.72Å; P242-W332 HydrophobicContact CG-CH2 3.81Å; P242-W332 HydrophobicContact CG-CZ2 4.02Å; P242-W332 HydrophobicContact CG-CZ3 3.66Å; P242-W332 WeakPolarHBondContact O-CZ2 3.32Å; P242-W332 PolarHBondContact O-NE1 2.87Å; P242-W332 VanDerWaalsContact O-NE1 3.15Å
243S97.9Very high94.7Very high2 Ų243.9 Ų43.91%0.01422%0.215CC..  trans-76.7139.7171.11680000110.7E225 E227 F245 V246E225-S243 PolarHBondContact OE1-N 3.24Å; E227-S243 PolarHBondContact OE2-OG 3.02Å; S243-F245 PolarHBondContact O-N 3.42Å; S243-F245 PolarHBondContact OG-N 2.9Å; S243-V246 PolarHBondContact OG-N 2.68Å
244P95.8Very high95.6Very high47 Ų4736.5 Ų36.531%0.30519%0.187SC..SBendtrans-71.2-13172.930.6-35.3000113.1W332P244-W332 HydrophobicContact CB-CH2 4.42Å; P244-W332 HydrophobicContact CB-CZ2 4.12Å
245F95.9Very high96.5Very high37 Ų3731.8 Ų31.816%0.16216%0.162CC..SBendtrans-98.2-27.2-176.3-166.5-112.8000113.4S243 V277 D278 R281S243-F245 PolarHBondContact O-N 3.42Å; S243-F245 PolarHBondContact OG-N 2.9Å; F245-V277 HydrophobicContact CD1-CG1 4.02Å; F245-V277 HydrophobicContact CE1-CG1 3.79Å; F245-D278 WeakPolarHBondContact CE1-O 3.08Å; F245-R281 HydrophobicContact CD1-CG 4.27Å; F245-R281 HydrophobicContact CE1-CB 4.37Å; F245-R281 HydrophobicContact CE1-CG 3.49Å; F245-R281 VanDerWaalsContact CE1-CG 3.49Å; F245-R281 HydrophobicContact CE2-CG 4.41Å; F245-R281 HydrophobicContact CZ-CG 3.57Å
246V96.8Very high97Very high10 Ų1034 Ų346%0.06117%0.172CC..  trans-81.9120.7-173.8176.50000111.7I208 E225 S243 M250 R251 M254I208-V246 HydrophobicContact CD1-CG2 3.62Å; I208-V246 HydrophobicContact CG1-CG2 4.49Å; I208-V246 HydrophobicContact CG2-CG2 4.01Å; E225-V246 HydrophobicContact CG-CB 4.32Å; E225-V246 HydrophobicContact CG-CG1 4.43Å; E225-V246 HydrophobicContact CG-CG2 4.18Å; S243-V246 PolarHBondContact OG-N 2.68Å; V246-M250 HydrophobicContact CB-SD 4.45Å; V246-M250 HydrophobicContact CG1-CB 4.19Å; V246-M250 HydrophobicContact CG1-CG 4.24Å; V246-M250 HydrophobicContact CG1-SD 4.31Å; V246-M250 HydrophobicContact CG2-CE 4.39Å; V246-M250 HydrophobicContact CG2-SD 4.16Å; V246-R251 HydrophobicContact CG1-CB 3.72Å; V246-R251 PolarHBondContact O-NH2 2.68Å; V246-R251 VanDerWaalsContact O-NH2 3.17Å; V246-M254 HydrophobicContact CG1-SD 4.48Å; V246-M254 HydrophobicContact CG2-SD 4.45Å
247T96.5Very high97.2Very high38 Ų3834.7 Ų34.723%0.23318%0.176CC..  trans-77.6160.3173.364.50000111.7E249 M250 R251T247-E249 VanDerWaalsContact C-N 3.3Å; T247-E249 PolarHBondContact O-N 2.76Å; T247-M250 PolarHBondContact O-N 2.91Å; T247-M250 VanDerWaalsContact OG1-CB 3.29Å; T247-M250 WeakPolarHBondContact OG1-CB 3.35Å; T247-M250 PolarHBondContact OG1-N 3.3Å; T247-R251 WeakPolarHBondContact O-CB 3.23Å; T247-R251 PolarHBondContact O-N 2.9Å
248P96Very high97.4Very high99 Ų9934.6 Ų34.664%0.64318%0.175SC*.Hα-helixtrans-52.9-44173.2-2836.4000114R251 E252P248-R251 WeakPolarHBondContact O-CB 3.38Å; P248-R251 PolarHBondContact O-N 3.43Å; P248-E252 PolarHBondContact O-N 2.84Å
249E97Very high97.3Very high118 Ų11835 Ų3555%0.55118%0.178SC*.Hα-helixtrans-64-43.9177.5-173.7-168.6165.700111.9T247 E252 K253T247-E249 VanDerWaalsContact C-N 3.3Å; T247-E249 PolarHBondContact O-N 2.76Å; E249-E252 PolarHBondContact O-N 3.2Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.46Å; E249-K253 VanDerWaalsContact OE1-CE 3.3Å; E249-K253 WeakPolarHBondContact OE1-CE 3.22Å; E249-K253 IonicContact OE1-NZ 2.65Å; E249-K253 PolarHBondContact OE1-NZ 3.5Å
250M96.7Very high97.2Very high10 Ų1037 Ų375%0.04919%0.193CC..Hα-helixtrans-64.2-44.4177.4-176.8-175.717700111.1V246 T247 E252 K253 M254 V277 R281 F283V246-M250 HydrophobicContact CB-SD 4.45Å; V246-M250 HydrophobicContact CG1-CB 4.19Å; V246-M250 HydrophobicContact CG1-CG 4.24Å; V246-M250 HydrophobicContact CG1-SD 4.31Å; V246-M250 HydrophobicContact CG2-CE 4.39Å; V246-M250 HydrophobicContact CG2-SD 4.16Å; T247-M250 PolarHBondContact O-N 2.91Å; T247-M250 VanDerWaalsContact OG1-CB 3.29Å; T247-M250 WeakPolarHBondContact OG1-CB 3.35Å; T247-M250 PolarHBondContact OG1-N 3.3Å; M250-E252 VanDerWaalsContact C-N 3.31Å; M250-E252 PolarHBondContact O-N 3.45Å; M250-K253 PolarHBondContact O-N 3.16Å; M250-M254 HydrophobicContact CE-SD 3.6Å; M250-M254 HydrophobicContact CG-CG 4.3Å; M250-M254 HydrophobicContact CG-SD 3.9Å; M250-M254 WeakPolarHBondContact O-CB 3.05Å; M250-M254 VanDerWaalsContact O-CG 3.25Å; M250-M254 WeakPolarHBondContact O-CG 3.38Å; M250-M254 PolarHBondContact O-N 2.86Å; M250-M254 HydrophobicContact SD-SD 4.41Å; M250-V277 HydrophobicContact CE-CB 4.23Å; M250-V277 HydrophobicContact CE-CG1 3.38Å; M250-V277 HydrophobicContact CE-CG2 3.78Å; M250-R281 HydrophobicContact SD-CB 4.12Å; M250-F283 HydrophobicContact CE-CB 3.85Å; M250-F283 HydrophobicContact CE-CD1 3.88Å; M250-F283 HydrophobicContact CE-CG 4.23Å; M250-F283 HydrophobicContact CG-CD1 4.17Å; M250-F283 HydrophobicContact CG-CE1 4.42Å
251R97.4Very high97Very high30 Ų3037 Ų3711%0.11319%0.192CC..Hα-helixtrans-56.6-44.6176-177.6-179.8-65.197.412.2111.8M210 E225 V246 T247 P248 M254 G255M210-R251 HydrophobicContact CE-CG 4.37Å; E225-R251 IonicContact OE1-CZ 3.07Å; E225-R251 IonicContact OE1-NE 3.46Å; E225-R251 PolarHBondContact OE1-NE 3.48Å; E225-R251 IonicContact OE1-NH2 2.92Å; E225-R251 PolarHBondContact OE1-NH2 2.76Å; E225-R251 WeakPolarHBondContact OE2-CD 3.3Å; E225-R251 IonicContact OE2-CZ 3.86Å; E225-R251 IonicContact OE2-NE 3.62Å; E225-R251 PolarHBondContact OE2-NE 2.97Å; E225-R251 IonicContact OE2-NH2 3.17Å; V246-R251 HydrophobicContact CG1-CB 3.72Å; V246-R251 PolarHBondContact O-NH2 2.68Å; V246-R251 VanDerWaalsContact O-NH2 3.17Å; T247-R251 WeakPolarHBondContact O-CB 3.23Å; T247-R251 PolarHBondContact O-N 2.9Å; P248-R251 WeakPolarHBondContact O-CB 3.38Å; P248-R251 PolarHBondContact O-N 3.43Å; R251-M254 PolarHBondContact O-N 3.12Å; R251-G255 PolarHBondContact O-N 3.04Å
252E96.9Very high96.9Very high100 Ų10037 Ų3747%0.46719%0.192SC..Hα-helixtrans-63.9-47.2177.8-176.3173.3-163.300111.3P248 E249 M250 M254 G255 Q256P248-E252 PolarHBondContact O-N 2.84Å; E249-E252 PolarHBondContact O-N 3.2Å; M250-E252 VanDerWaalsContact C-N 3.31Å; M250-E252 PolarHBondContact O-N 3.45Å; E252-M254 PolarHBondContact O-N 3.02Å; E252-G255 PolarHBondContact O-N 3.42Å; E252-Q256 HydrophobicContact CG-CG 4.43Å; E252-Q256 WeakPolarHBondContact O-CB 3.21Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.07Å; E252-Q256 PolarHBondContact O-N 3.21Å; E252-Q256 PolarHBondContact OE1-NE2 2.65Å
253K97.8Very high96.7Very high94 Ų9440.8 Ų40.841%0.40921%0.212SC..Hα-helixtrans-60.4-45.4176.3-70.5177.3-174.3171.70112.1E249 M250 Q257 F283E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.46Å; E249-K253 VanDerWaalsContact OE1-CE 3.3Å; E249-K253 WeakPolarHBondContact OE1-CE 3.22Å; E249-K253 IonicContact OE1-NZ 2.65Å; E249-K253 PolarHBondContact OE1-NZ 3.5Å; M250-K253 PolarHBondContact O-N 3.16Å; K253-Q257 WeakPolarHBondContact O-CB 3.36Å; K253-Q257 WeakPolarHBondContact O-CG 3.5Å; K253-Q257 PolarHBondContact O-N 3.28Å; K253-F283 HydrophobicContact CB-CE1 4.17Å; K253-F283 HydrophobicContact CB-CZ 3.93Å
254M98Very high96.5Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-62.1-44.3176.7-70.2176.975.200111.5I208 M210 V246 M250 R251 E252 Q257 A258 F275 F283I208-M254 HydrophobicContact CB-CE 4.26Å; I208-M254 HydrophobicContact CG2-CE 3.67Å; M210-M254 HydrophobicContact CG-CB 3.88Å; M210-M254 HydrophobicContact CG-CE 4.43Å; M210-M254 HydrophobicContact SD-CB 3.99Å; V246-M254 HydrophobicContact CG1-SD 4.48Å; V246-M254 HydrophobicContact CG2-SD 4.45Å; M250-M254 HydrophobicContact CE-SD 3.6Å; M250-M254 HydrophobicContact CG-CG 4.3Å; M250-M254 HydrophobicContact CG-SD 3.9Å; M250-M254 WeakPolarHBondContact O-CB 3.05Å; M250-M254 VanDerWaalsContact O-CG 3.25Å; M250-M254 WeakPolarHBondContact O-CG 3.38Å; M250-M254 PolarHBondContact O-N 2.86Å; M250-M254 HydrophobicContact SD-SD 4.41Å; R251-M254 PolarHBondContact O-N 3.12Å; E252-M254 PolarHBondContact O-N 3.02Å; M254-Q257 PolarHBondContact O-N 2.8Å; M254-A258 VanDerWaalsContact O-CB 3.27Å; M254-A258 WeakPolarHBondContact O-CB 3.48Å; M254-A258 PolarHBondContact O-N 3.33Å; M254-F275 HydrophobicContact CE-CB 3.98Å; M254-F275 HydrophobicContact CE-CD2 3.51Å; M254-F275 HydrophobicContact CE-CE2 4.17Å; M254-F275 HydrophobicContact CE-CG 3.86Å; M254-F283 HydrophobicContact CB-CE2 4.43Å; M254-F283 HydrophobicContact CG-CB 4.5Å; M254-F283 HydrophobicContact CG-CD1 3.83Å; M254-F283 HydrophobicContact CG-CD2 3.68Å; M254-F283 HydrophobicContact CG-CE1 3.87Å; M254-F283 HydrophobicContact CG-CE2 3.7Å; M254-F283 HydrophobicContact CG-CG 3.74Å; M254-F283 HydrophobicContact CG-CZ 3.8Å; M254-F283 HydrophobicContact SD-CB 4.49Å; M254-F283 HydrophobicContact SD-CD1 4.46Å; M254-F283 HydrophobicContact SD-CG 4.3Å
255G97.7Very high96.3Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-64-44.917900000112.9R251 E252 A258 C259R251-G255 PolarHBondContact O-N 3.04Å; E252-G255 PolarHBondContact O-N 3.42Å; G255-A258 PolarHBondContact O-N 2.99Å; G255-C259 WeakPolarHBondContact O-CB 3.35Å; G255-C259 PolarHBondContact O-N 3.07Å
256Q97.1Very high96.1Very high98 Ų9844 Ų4446%0.45824%0.24SC..Hα-helixtrans-61.1-45.3175.4-73.3174.2-0.600111.7W222 E252 C259 S260W222-Q256 HydrophobicContact CH2-CG 4.12Å; W222-Q256 HydrophobicContact CZ3-CG 4.26Å; E252-Q256 HydrophobicContact CG-CG 4.43Å; E252-Q256 WeakPolarHBondContact O-CB 3.21Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.07Å; E252-Q256 PolarHBondContact O-N 3.21Å; E252-Q256 PolarHBondContact OE1-NE2 2.65Å; Q256-C259 PolarHBondContact O-N 3.09Å; Q256-S260 VanDerWaalsContact O-CB 3.27Å; Q256-S260 WeakPolarHBondContact O-CB 3.32Å; Q256-S260 PolarHBondContact O-N 3.21Å
257Q97.8Very high96.1Very high32 Ų3244 Ų4415%0.1524%0.238CC..Hα-helixtrans-65.8-41.1177-71.9-171.618.300112V127 N128 K253 M254 S260 L261 F283V127-Q257 HydrophobicContact CG1-CB 4.3Å; V127-Q257 HydrophobicContact CG2-CB 4.35Å; N128-Q257 PolarHBondContact OD1-NE2 2.77Å; K253-Q257 WeakPolarHBondContact O-CB 3.36Å; K253-Q257 WeakPolarHBondContact O-CG 3.5Å; K253-Q257 PolarHBondContact O-N 3.28Å; M254-Q257 PolarHBondContact O-N 2.8Å; Q257-S260 PolarHBondContact O-N 3.06Å; Q257-L261 PolarHBondContact O-N 3.4Å; Q257-F283 VanDerWaalsContact OE1-CE2 3.31Å
258A97.4Very high95.9Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-63.2-44.4176.900000112.2M210 V212 M254 G255 L261 A262 V273M210-A258 HydrophobicContact CB-CB 3.79Å; M210-A258 HydrophobicContact CG-CB 4.21Å; V212-A258 HydrophobicContact CG1-CB 3.8Å; M254-A258 VanDerWaalsContact O-CB 3.27Å; M254-A258 WeakPolarHBondContact O-CB 3.48Å; M254-A258 PolarHBondContact O-N 3.33Å; G255-A258 PolarHBondContact O-N 2.99Å; A258-L261 PolarHBondContact O-N 2.85Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.02Å; A258-V273 HydrophobicContact CB-CB 3.79Å; A258-V273 HydrophobicContact CB-CG1 4.2Å; A258-V273 HydrophobicContact CB-CG2 3.76Å
259C96.8Very high95.9Very high10 Ų1038.3 Ų38.37%0.06820%0.202CC..Hα-helixtrans-67.8-37.5174.4-76.50000112.3A220 V221 G255 Q256 A262 L263A220-C259 HydrophobicContact CB-CB 4.09Å; V221-C259 VanDerWaalsContact C-SG 3.53Å; G255-C259 WeakPolarHBondContact O-CB 3.35Å; G255-C259 PolarHBondContact O-N 3.07Å; Q256-C259 PolarHBondContact O-N 3.09Å; C259-A262 PolarHBondContact O-N 3.14Å; C259-L263 WeakPolarHBondContact O-CB 3.44Å; C259-L263 VanDerWaalsContact O-CG 3.26Å; C259-L263 WeakPolarHBondContact O-CG 3.48Å; C259-L263 PolarHBondContact O-N 3.08Å
260S95.9Very high95.8Very high45 Ų4532.7 Ų32.732%0.31518%0.175SC..Hα-helixtrans-61.4-44.3175.2-172.40000111.5A125 Q256 Q257 L263 N264A125-S260 PolarHBondContact O-OG 2.89Å; Q256-S260 VanDerWaalsContact O-CB 3.27Å; Q256-S260 WeakPolarHBondContact O-CB 3.32Å; Q256-S260 PolarHBondContact O-N 3.21Å; Q257-S260 PolarHBondContact O-N 3.06Å; S260-L263 PolarHBondContact O-N 2.9Å; S260-N264 WeakPolarHBondContact O-CB 3.33Å; S260-N264 PolarHBondContact O-N 3.24Å; S260-N264 PolarHBondContact O-ND2 2.95Å
261L96Very high95.7Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-58.8-50.5173.6178.856.3000111.6M112 I121 A122 A125 V127 Q257 A258 L263 N264 V265 V273 F285 M288M112-L261 HydrophobicContact CE-CD1 4.47Å; M112-L261 HydrophobicContact CE-CD2 4.27Å; M112-L261 HydrophobicContact SD-CD1 4.31Å; I121-L261 HydrophobicContact CG2-CD1 4.05Å; A122-L261 HydrophobicContact CB-CD1 4.14Å; A125-L261 HydrophobicContact CB-CD1 4.34Å; V127-L261 HydrophobicContact CG2-CB 3.95Å; Q257-L261 PolarHBondContact O-N 3.4Å; A258-L261 PolarHBondContact O-N 2.85Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.06Å; L261-N264 PolarHBondContact O-N 3.45Å; L261-V265 PolarHBondContact O-N 3.28Å; L261-V273 HydrophobicContact CD2-CG1 4.07Å; L261-V273 HydrophobicContact CD2-CG2 4.29Å; L261-F285 HydrophobicContact CD2-CD2 3.94Å; L261-F285 HydrophobicContact CD2-CE2 3.37Å; L261-F285 HydrophobicContact CD2-CZ 3.94Å; L261-M288 HydrophobicContact CD2-SD 4.41Å; L261-M288 HydrophobicContact CG-SD 4.45Å
262A95.6Very high95.7Very high0 Ų030.8 Ų30.80%017%0.168CC..Hα-helixtrans-61.4-41.4-178.600000112.1V212 C214 A258 C259 V265 G266 Y267 M288V212-A262 HydrophobicContact CG2-CB 4.38Å; C214-A262 VanDerWaalsContact SG-CB 3.53Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 3.02Å; C259-A262 PolarHBondContact O-N 3.14Å; A262-V265 VanDerWaalsContact O-CG2 3.3Å; A262-V265 WeakPolarHBondContact O-CG2 3.2Å; A262-V265 PolarHBondContact O-N 3.41Å; A262-G266 PolarHBondContact O-N 3.36Å; A262-Y267 HydrophobicContact CB-CG 4.44Å; A262-Y267 WeakPolarHBondContact O-CB 3.4Å; A262-Y267 PolarHBondContact O-N 2.88Å; A262-M288 HydrophobicContact CB-CE 4.11Å
263L94.1Very high95.7Very high87 Ų8726 Ų2646%0.45515%0.145SC..Hα-helixtrans-66.1-40.3176.2-71.6170.5000112.2A220 C259 S260 L261 V265 G266A220-L263 HydrophobicContact CB-CD1 4.09Å; A220-L263 HydrophobicContact CB-CD2 3.76Å; A220-L263 HydrophobicContact CB-CG 3.75Å; C259-L263 WeakPolarHBondContact O-CB 3.44Å; C259-L263 VanDerWaalsContact O-CG 3.26Å; C259-L263 WeakPolarHBondContact O-CG 3.48Å; C259-L263 PolarHBondContact O-N 3.08Å; S260-L263 PolarHBondContact O-N 2.9Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.06Å; L263-V265 VanDerWaalsContact C-N 3.31Å; L263-V265 PolarHBondContact O-N 3.2Å; L263-G266 PolarHBondContact O-N 3.03Å
264N92.8Very high95.6Very high95 Ų9521.9 Ų21.951%0.50813%0.127SC..Hα-helixtrans-63.7-33.3179.6-84.7-57000113.2I121 A125 S260 L261 G266I121-N264 HydrophobicContact CG2-CB 4.49Å; A125-N264 WeakPolarHBondContact CA-ND2 3.49Å; A125-N264 HydrophobicContact CB-CB 4.24Å; A125-N264 WeakPolarHBondContact CB-ND2 3.22Å; S260-N264 WeakPolarHBondContact O-CB 3.33Å; S260-N264 PolarHBondContact O-N 3.24Å; S260-N264 PolarHBondContact O-ND2 2.95Å; L261-N264 PolarHBondContact O-N 3.45Å; N264-G266 VanDerWaalsContact C-N 3.29Å
265V92.2Very high95.6Very high12 Ų1221.9 Ų21.97%0.07313%0.127CC..THydrogen-bonded Turntrans-83.9-3174-61.80000113.7A108 A111 M112 I121 L261 A262 L263 Y267A108-V265 HydrophobicContact CB-CG2 4.42Å; A111-V265 HydrophobicContact CB-CG1 4.41Å; M112-V265 HydrophobicContact CG-CG1 4.31Å; M112-V265 HydrophobicContact SD-CG1 3.77Å; I121-V265 HydrophobicContact CD1-CG1 4.17Å; I121-V265 HydrophobicContact CG2-CG1 3.57Å; L261-V265 PolarHBondContact O-N 3.28Å; A262-V265 VanDerWaalsContact O-CG2 3.3Å; A262-V265 WeakPolarHBondContact O-CG2 3.2Å; A262-V265 PolarHBondContact O-N 3.41Å; L263-V265 VanDerWaalsContact C-N 3.31Å; L263-V265 PolarHBondContact O-N 3.2Å; V265-Y267 VanDerWaalsContact C-N 3.34Å; V265-Y267 HydrophobicContact CG2-CD2 4.01Å; V265-Y267 HydrophobicContact CG2-CG 4.4Å
266G92.8Very high95.4Very high47 Ų4722.7 Ų22.749%0.48513%0.132SC..THydrogen-bonded Turntrans62.243-172.100000111.7N105 A262 L263 N264N105-G266 PolarHBondContact ND2-O 3.35Å; A262-G266 PolarHBondContact O-N 3.36Å; L263-G266 PolarHBondContact O-N 3.03Å; N264-G266 VanDerWaalsContact C-N 3.29Å
267Y95.1Very high95.3Very high8 Ų818 Ų183%0.03111%0.11CC..  trans-65.6147.2-178.6-155.2-94.1000111.2P104 A108 C214 A262 V265 A270 G271 M288 T290P104-Y267 HydrophobicContact CB-CD2 4.24Å; P104-Y267 HydrophobicContact CB-CE1 4.03Å; P104-Y267 HydrophobicContact CB-CE2 3.63Å; P104-Y267 HydrophobicContact CG-CE2 4.06Å; P104-Y267 WeakPolarHBondContact CG-OH 3.48Å; A108-Y267 HydrophobicContact CB-CD2 3.77Å; A108-Y267 HydrophobicContact CB-CE2 4.3Å; C214-Y267 HydrophobicContact CB-CD1 4.38Å; C214-Y267 WeakPolarHBondContact CB-O 3.42Å; A262-Y267 HydrophobicContact CB-CG 4.44Å; A262-Y267 WeakPolarHBondContact O-CB 3.4Å; A262-Y267 PolarHBondContact O-N 2.88Å; V265-Y267 VanDerWaalsContact C-N 3.34Å; V265-Y267 HydrophobicContact CG2-CD2 4.01Å; V265-Y267 HydrophobicContact CG2-CG 4.4Å; Y267-A270 WeakPolarHBondContact CE1-O 3.3Å; Y267-A270 PolarHBondContact OH-O 2.6Å; Y267-G271 VanDerWaalsContact OH-CA 3.27Å; Y267-G271 WeakPolarHBondContact OH-CA 3.35Å; Y267-M288 HydrophobicContact CD1-CE 3.94Å; Y267-M288 HydrophobicContact CD2-CE 3.4Å; Y267-M288 HydrophobicContact CD2-SD 4.15Å; Y267-M288 HydrophobicContact CE1-CE 3.92Å; Y267-M288 HydrophobicContact CE2-CE 3.39Å; Y267-M288 HydrophobicContact CE2-SD 4.18Å; Y267-M288 HydrophobicContact CG-CE 3.7Å; Y267-T290 HydrophobicContact CE2-CG2 3.86Å; Y267-T290 WeakPolarHBondContact OH-CA 3.46Å
268D93.6Very high95.1Very high18 Ų1817.5 Ų17.510%0.09611%0.108CC..  trans-136.6159167.562.7-29.2000109.8P104 N105 C214 K216 I314P104-D268 WeakPolarHBondContact CA-O 3.19Å; P104-D268 WeakPolarHBondContact CA-OD1 3.39Å; P104-D268 WeakPolarHBondContact CB-O 3.45Å; N105-D268 WeakPolarHBondContact CB-OD1 3.35Å; N105-D268 PolarHBondContact N-OD1 2.88Å; N105-D268 PolarHBondContact ND2-OD1 2.78Å; C214-D268 CarbonylContact O-C 3.5Å; C214-D268 WeakPolarHBondContact O-CA 3.3Å; K216-D268 WeakPolarHBondContact CE-OD2 3.35Å; K216-D268 HydrophobicContact CG-CB 4.14Å; D268-I314 HydrophobicContact CB-CG2 4.39Å
269S94.9Very high94.6Very high1 Ų122.1 Ų22.11%0.00714%0.14CC..EExtended strand (participates in β ladder)trans73.6-164.4-175.1-1580000113.9G103 F213 C214G103-S269 WeakPolarHBondContact O-CB 3Å; F213-S269 WeakPolarHBondContact CD1-O 3.36Å; C214-S269 PolarHBondContact N-O 3.49Å; C214-S269 VanDerWaalsContact N-O 3.17Å; C214-S269 PolarHBondContact O-N 3.34Å
270A94.6Very high94.3Very high0 Ų029.7 Ų29.70%017%0.172CC..EExtended strand (participates in β ladder)trans-77137.1177.400000110.9F213 Y267 M311F213-A270 HydrophobicContact CD1-CB 4.14Å; F213-A270 HydrophobicContact CE1-CB 3.51Å; F213-A270 HydrophobicContact CZ-CB 3.98Å; Y267-A270 WeakPolarHBondContact CE1-O 3.3Å; Y267-A270 PolarHBondContact OH-O 2.6Å; A270-M311 HydrophobicContact CB-CE 4.34Å; A270-M311 HydrophobicContact CB-CG 3.65Å; A270-M311 HydrophobicContact CB-SD 3.7Å
271G95.1Very high94.1Very high0 Ų033.2 Ų33.20%018%0.179CC..EExtended strand (participates in β ladder)trans-145161.3170.400000110.3Q211 V212 Y267Q211-G271 PolarHBondContact NE2-O 3.49Å; V212-G271 VanDerWaalsContact CG2-O 3.26Å; V212-G271 WeakPolarHBondContact CG2-O 3.26Å; V212-G271 PolarHBondContact N-O 3.31Å; V212-G271 PolarHBondContact O-N 2.9Å; Y267-G271 VanDerWaalsContact OH-CA 3.27Å; Y267-G271 WeakPolarHBondContact OH-CA 3.35Å
272T97.4Very high94Very high0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-129.5127.5173.3-56.40000110.6E209 M210 Q211 R226 E274 M288 N289 Q293E209-T272 HydrophobicContact CB-CG2 3.58Å; E209-T272 HydrophobicContact CG-CG2 3.71Å; M210-T272 WeakPolarHBondContact O-CA 3.36Å; M210-T272 WeakPolarHBondContact O-CG2 3.17Å; Q211-T272 PolarHBondContact OE1-OG1 3.09Å; R226-T272 VanDerWaalsContact NH2-CG2 3.32Å; R226-T272 PolarHBondContact NH2-OG1 3.45Å; T272-E274 HydrophobicContact CG2-CG 4.36Å; T272-M288 CarbonylContact O-C 3.28Å; T272-M288 VanDerWaalsContact O-CA 3.28Å; T272-M288 WeakPolarHBondContact O-CA 3.48Å; T272-N289 PolarHBondContact N-O 2.96Å; T272-N289 VanDerWaalsContact N-O 3.08Å; T272-N289 PolarHBondContact O-N 3.36Å; T272-Q293 PolarHBondContact OG1-OE1 2.58Å
273V97.4Very high94Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-98.6114.9176-176.50000108.1E209 M210 V212 A258 L261 F275 F285 M288E209-V273 CarbonylContact C-O 3.51Å; E209-V273 VanDerWaalsContact CA-O 3.29Å; E209-V273 WeakPolarHBondContact CA-O 3.46Å; M210-V273 PolarHBondContact N-O 3.33Å; M210-V273 PolarHBondContact O-N 2.91Å; V212-V273 HydrophobicContact CG2-CG2 4.47Å; A258-V273 HydrophobicContact CB-CB 3.79Å; A258-V273 HydrophobicContact CB-CG1 4.2Å; A258-V273 HydrophobicContact CB-CG2 3.76Å; L261-V273 HydrophobicContact CD2-CG1 4.07Å; L261-V273 HydrophobicContact CD2-CG2 4.29Å; V273-F275 HydrophobicContact CB-CE2 4.09Å; V273-F275 HydrophobicContact CB-CZ 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.39Å; V273-F275 HydrophobicContact CG1-CE1 4.32Å; V273-F275 HydrophobicContact CG1-CE2 3.56Å; V273-F275 HydrophobicContact CG1-CZ 3.53Å; V273-F285 HydrophobicContact CG1-CD2 3.77Å; V273-F285 HydrophobicContact CG1-CE2 3.89Å; V273-M288 HydrophobicContact CG2-CE 4.3Å; V273-M288 HydrophobicContact CG2-CG 4.03Å; V273-M288 HydrophobicContact CG2-SD 4.19Å
274E96.3Very high94Very high6 Ų634.9 Ų34.93%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-95.5139.9-176.1-56.2-162166.600111.2H207 E209 K236 T272 L286 E287 N289 Q293H207-E274 IonicContact CE1-OE2 3.24Å; H207-E274 PolarHBondContact CE1-OE2 3.15Å; H207-E274 VanDerWaalsContact NE2-CD 3.29Å; H207-E274 IonicContact NE2-OE1 3.01Å; H207-E274 IonicContact NE2-OE2 2.72Å; H207-E274 PolarHBondContact NE2-OE2 2.8Å; E209-E274 HydrophobicContact CB-CB 4.25Å; E209-E274 HydrophobicContact CB-CG 3.92Å; E209-E274 VanDerWaalsContact OE2-OE1 3.08Å; K236-E274 IonicContact NZ-OE1 2.92Å; K236-E274 PolarHBondContact NZ-OE1 2.97Å; T272-E274 HydrophobicContact CG2-CG 4.36Å; E274-L286 HydrophobicContact CB-CB 4.41Å; E274-L286 WeakPolarHBondContact O-CB 3.43Å; E274-L286 PolarHBondContact O-N 3.1Å; E274-E287 HydrophobicContact CB-CG 4.27Å; E274-E287 HydrophobicContact CG-CG 4.39Å; E274-E287 PolarHBondContact N-O 3.12Å; E274-N289 PolarHBondContact OE1-ND2 3Å; E274-N289 VanDerWaalsContact OE1-ND2 3.08Å; E274-Q293 PolarHBondContact OE1-NE2 2.9Å
275F96.6Very high94Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-128.7144.8179.8-60.1-90000111.5V127 I208 M210 M254 V273 F283 Y284 F285V127-F275 HydrophobicContact CG1-CE1 3.9Å; V127-F275 HydrophobicContact CG1-CZ 4.47Å; I208-F275 PolarHBondContact N-O 2.83Å; I208-F275 CarbonylContact O-C 3.51Å; I208-F275 WeakPolarHBondContact O-CA 3.37Å; I208-F275 WeakPolarHBondContact O-CB 3.29Å; I208-F275 PolarHBondContact O-N 3.4Å; M210-F275 HydrophobicContact CB-CE2 4.41Å; M210-F275 HydrophobicContact CG-CD2 4.44Å; M210-F275 HydrophobicContact CG-CE2 3.92Å; M254-F275 HydrophobicContact CE-CB 3.98Å; M254-F275 HydrophobicContact CE-CD2 3.51Å; M254-F275 HydrophobicContact CE-CE2 4.17Å; M254-F275 HydrophobicContact CE-CG 3.86Å; V273-F275 HydrophobicContact CB-CE2 4.09Å; V273-F275 HydrophobicContact CB-CZ 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.39Å; V273-F275 HydrophobicContact CG1-CE1 4.32Å; V273-F275 HydrophobicContact CG1-CE2 3.56Å; V273-F275 HydrophobicContact CG1-CZ 3.53Å; F275-F283 HydrophobicContact CB-CB 4.39Å; F275-F283 AromaticContact CD1-CD2 3.68Å; F275-F283 HydrophobicContact CD1-CD2 3.68Å; F275-F283 HydrophobicContact CD1-CE2 4.45Å; F275-F283 AromaticContact CE1-CD2 3.85Å; F275-F283 HydrophobicContact CE1-CD2 3.85Å; F275-F283 HydrophobicContact CE1-CE2 4.17Å; F275-F283 HydrophobicContact CG-CD2 4.32Å; F275-Y284 CarbonylContact C-O 3.53Å; F275-Y284 WeakPolarHBondContact CA-O 3.41Å; F275-F285 HydrophobicContact CD1-CB 4.44Å; F275-F285 HydrophobicContact CE1-CB 4.34Å
276L94.5Very high93.9Very high18 Ų1832.3 Ų32.39%0.09417%0.17CC..EExtended strand (participates in β ladder)trans-90.8129.4160-66.4179.3000109I130 P205 R206 F283 Y284 L286I130-L276 HydrophobicContact CD1-CD1 3.95Å; P205-L276 HydrophobicContact CB-CB 4.38Å; P205-L276 HydrophobicContact CB-CD2 4.13Å; P205-L276 HydrophobicContact CG-CD2 4.41Å; R206-L276 WeakPolarHBondContact O-CA 3.38Å; L276-F283 CarbonylContact O-C 3.52Å; L276-F283 WeakPolarHBondContact O-CA 3.23Å; L276-Y284 PolarHBondContact N-O 3.36Å; L276-Y284 PolarHBondContact O-N 2.69Å; L276-L286 HydrophobicContact CD1-CD1 4.13Å; L276-L286 HydrophobicContact CD2-CD2 4.34Å; L276-L286 HydrophobicContact CG-CD1 4.26Å; L276-L286 HydrophobicContact CG-CD2 4.4Å
277V95.4Very high93.8Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-116124.8179.5-175.60000109.7P205 R206 I208 F245 M250 N282 F283P205-V277 WeakPolarHBondContact CA-O 3.47Å; R206-V277 HydrophobicContact CB-CB 4.21Å; R206-V277 PolarHBondContact N-O 3.25Å; R206-V277 PolarHBondContact O-N 2.68Å; I208-V277 HydrophobicContact CB-CG2 3.97Å; I208-V277 HydrophobicContact CD1-CB 3.97Å; I208-V277 HydrophobicContact CD1-CG1 4.37Å; I208-V277 HydrophobicContact CD1-CG2 3.62Å; I208-V277 HydrophobicContact CG1-CG2 4.21Å; F245-V277 HydrophobicContact CD1-CG1 4.02Å; F245-V277 HydrophobicContact CE1-CG1 3.79Å; M250-V277 HydrophobicContact CE-CB 4.23Å; M250-V277 HydrophobicContact CE-CG1 3.38Å; M250-V277 HydrophobicContact CE-CG2 3.78Å; V277-N282 CarbonylContact C-O 3.59Å; V277-N282 VanDerWaalsContact CA-O 3.32Å; V277-N282 WeakPolarHBondContact CA-O 3.26Å; V277-F283 HydrophobicContact CG2-CB 3.8Å
278D92Very high93.7Very high21 Ų2133.5 Ų33.511%0.11216%0.163CC..  trans-82.3174178.178.65.9000112.5I202 F245 K280 R281 N282 Y284I202-D278 HydrophobicContact CG2-CB 3.74Å; F245-D278 WeakPolarHBondContact CE1-O 3.08Å; D278-K280 PolarHBondContact O-N 3.32Å; D278-K280 VanDerWaalsContact OD1-CA 3.26Å; D278-K280 WeakPolarHBondContact OD1-CA 3.45Å; D278-K280 WeakPolarHBondContact OD1-CB 3.43Å; D278-K280 PolarHBondContact OD1-N 3.48Å; D278-R281 PolarHBondContact O-N 2.88Å; D278-R281 VanDerWaalsContact O-N 3.13Å; D278-R281 PolarHBondContact OD1-N 3.39Å; D278-N282 PolarHBondContact N-O 2.72Å; D278-N282 PolarHBondContact OD1-N 2.89Å; D278-N282 PolarHBondContact OD1-ND2 3.31Å; D278-N282 WeakPolarHBondContact OD2-CB 3.45Å; D278-N282 PolarHBondContact OD2-ND2 3.47Å; D278-Y284 HydrophobicContact CB-CE2 4.41Å
279S88.7Confident93.6Very high96 Ų9633.2 Ų33.267%0.67116%0.162SC*.THydrogen-bonded Turntrans-64.8-18.217858.20000114.2
280K90.1Very high93.5Very high169 Ų16933.5 Ų33.574%0.73516%0.164SC*.THydrogen-bonded Turntrans-93.27.2177.7-62.5-179-179.1179.10112.6D278 N282D278-K280 PolarHBondContact O-N 3.32Å; D278-K280 VanDerWaalsContact OD1-CA 3.26Å; D278-K280 WeakPolarHBondContact OD1-CA 3.45Å; D278-K280 WeakPolarHBondContact OD1-CB 3.43Å; D278-K280 PolarHBondContact OD1-N 3.48Å; K280-N282 PolarHBondContact O-N 3.27Å
281R91.3Very high93.4Very high120 Ų12034.6 Ų34.645%0.45317%0.168SC..SBendtrans65.120.4-176.9-60.4176.6170.2172.1-2.5114.3F245 M250 D278F245-R281 HydrophobicContact CD1-CG 4.27Å; F245-R281 HydrophobicContact CE1-CB 4.37Å; F245-R281 HydrophobicContact CE1-CG 3.49Å; F245-R281 VanDerWaalsContact CE1-CG 3.49Å; F245-R281 HydrophobicContact CE2-CG 4.41Å; F245-R281 HydrophobicContact CZ-CG 3.57Å; M250-R281 HydrophobicContact SD-CB 4.12Å; D278-R281 PolarHBondContact O-N 2.88Å; D278-R281 VanDerWaalsContact O-N 3.13Å; D278-R281 PolarHBondContact OD1-N 3.39Å
282N93.3Very high93.3Very high72 Ų7234.6 Ų34.639%0.38517%0.168SC..  trans-75.3135.6162.7-52.7-59.6000108.2V277 D278 K280 Y284V277-N282 CarbonylContact C-O 3.59Å; V277-N282 VanDerWaalsContact CA-O 3.32Å; V277-N282 WeakPolarHBondContact CA-O 3.26Å; D278-N282 PolarHBondContact N-O 2.72Å; D278-N282 PolarHBondContact OD1-N 2.89Å; D278-N282 PolarHBondContact OD1-ND2 3.31Å; D278-N282 WeakPolarHBondContact OD2-CB 3.45Å; D278-N282 PolarHBondContact OD2-ND2 3.47Å; K280-N282 PolarHBondContact O-N 3.27Å; N282-Y284 HydrophobicContact CB-CE1 4.37Å; N282-Y284 HydrophobicContact CB-CE2 3.85Å; N282-Y284 WeakPolarHBondContact CB-OH 3.26Å
283F95.4Very high93Very high10 Ų1034.8 Ų34.84%0.04417%0.168CC..EExtended strand (participates in β ladder)trans-119.7140.9178.262.2-89.5000109.9N128 M250 K253 M254 Q257 F275 L276 V277N128-F283 HydrophobicContact CB-CD2 4.46Å; N128-F283 HydrophobicContact CB-CE2 4.37Å; N128-F283 WeakPolarHBondContact CB-O 3.36Å; N128-F283 WeakPolarHBondContact ND2-CE2 3.28Å; N128-F283 WeakPolarHBondContact ND2-CZ 3.4Å; N128-F283 PolarHBondContact ND2-O 3.16Å; M250-F283 HydrophobicContact CE-CB 3.85Å; M250-F283 HydrophobicContact CE-CD1 3.88Å; M250-F283 HydrophobicContact CE-CG 4.23Å; M250-F283 HydrophobicContact CG-CD1 4.17Å; M250-F283 HydrophobicContact CG-CE1 4.42Å; K253-F283 HydrophobicContact CB-CE1 4.17Å; K253-F283 HydrophobicContact CB-CZ 3.93Å; M254-F283 HydrophobicContact CB-CE2 4.43Å; M254-F283 HydrophobicContact CG-CB 4.5Å; M254-F283 HydrophobicContact CG-CD1 3.83Å; M254-F283 HydrophobicContact CG-CD2 3.68Å; M254-F283 HydrophobicContact CG-CE1 3.87Å; M254-F283 HydrophobicContact CG-CE2 3.7Å; M254-F283 HydrophobicContact CG-CG 3.74Å; M254-F283 HydrophobicContact CG-CZ 3.8Å; M254-F283 HydrophobicContact SD-CB 4.49Å; M254-F283 HydrophobicContact SD-CD1 4.46Å; M254-F283 HydrophobicContact SD-CG 4.3Å; Q257-F283 VanDerWaalsContact OE1-CE2 3.31Å; F275-F283 HydrophobicContact CB-CB 4.39Å; F275-F283 AromaticContact CD1-CD2 3.68Å; F275-F283 HydrophobicContact CD1-CD2 3.68Å; F275-F283 HydrophobicContact CD1-CE2 4.45Å; F275-F283 AromaticContact CE1-CD2 3.85Å; F275-F283 HydrophobicContact CE1-CD2 3.85Å; F275-F283 HydrophobicContact CE1-CE2 4.17Å; F275-F283 HydrophobicContact CG-CD2 4.32Å; L276-F283 CarbonylContact O-C 3.52Å; L276-F283 WeakPolarHBondContact O-CA 3.23Å; V277-F283 HydrophobicContact CG2-CB 3.8Å
284Y94.2Very high92.8Very high40 Ų4034.8 Ų34.816%0.15717%0.168CC..EExtended strand (participates in β ladder)trans-133.8131.2-172.6-51.9-76.7000110N128 M129 I130 P131 I202 F275 L276 D278 N282 L286N128-Y284 CarbonylContact O-C 3.52Å; N128-Y284 WeakPolarHBondContact O-CA 3.42Å; M129-Y284 VanDerWaalsContact O-CD1 3.26Å; M129-Y284 WeakPolarHBondContact O-CD1 3.41Å; I130-Y284 VanDerWaalsContact CG1-CB 3.42Å; I130-Y284 HydrophobicContact CG1-CG 4.22Å; P131-Y284 HydrophobicContact CG-CE1 4.48Å; I202-Y284 HydrophobicContact CD1-CD2 4.21Å; I202-Y284 HydrophobicContact CD1-CE2 3.96Å; I202-Y284 HydrophobicContact CG1-CD2 4.19Å; I202-Y284 HydrophobicContact CG1-CE2 4.34Å; F275-Y284 CarbonylContact C-O 3.53Å; F275-Y284 WeakPolarHBondContact CA-O 3.41Å; L276-Y284 PolarHBondContact N-O 3.36Å; L276-Y284 PolarHBondContact O-N 2.69Å; D278-Y284 HydrophobicContact CB-CE2 4.41Å; N282-Y284 HydrophobicContact CB-CE1 4.37Å; N282-Y284 HydrophobicContact CB-CE2 3.85Å; N282-Y284 WeakPolarHBondContact CB-OH 3.26Å; Y284-L286 PolarHBondContact O-N 3.02Å
285F94Very high92.8Very high3 Ų334.6 Ų34.61%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-59.5130.5178.8174.1-102.1000110.9M112 A122 V127 N128 M129 L261 V273 F275 E287 M288M112-F285 HydrophobicContact CE-CE2 4.44Å; M112-F285 HydrophobicContact CE-CZ 3.67Å; A122-F285 HydrophobicContact CB-CD1 3.81Å; A122-F285 HydrophobicContact CB-CE1 3.9Å; A122-F285 HydrophobicContact CB-CG 4.23Å; A122-F285 HydrophobicContact CB-CZ 4.41Å; V127-F285 HydrophobicContact CG1-CB 3.7Å; V127-F285 HydrophobicContact CG1-CD2 4.38Å; V127-F285 HydrophobicContact CG1-CG 4.26Å; N128-F285 WeakPolarHBondContact O-CB 3.49Å; N128-F285 PolarHBondContact O-N 2.88Å; M129-F285 HydrophobicContact CE-CD1 3.77Å; M129-F285 HydrophobicContact SD-CB 3.92Å; M129-F285 HydrophobicContact SD-CD1 3.95Å; M129-F285 HydrophobicContact SD-CG 4.3Å; L261-F285 HydrophobicContact CD2-CD2 3.94Å; L261-F285 HydrophobicContact CD2-CE2 3.37Å; L261-F285 HydrophobicContact CD2-CZ 3.94Å; V273-F285 HydrophobicContact CG1-CD2 3.77Å; V273-F285 HydrophobicContact CG1-CE2 3.89Å; F275-F285 HydrophobicContact CD1-CB 4.44Å; F275-F285 HydrophobicContact CE1-CB 4.34Å; F285-E287 WeakPolarHBondContact CE2-O 3.43Å; F285-E287 VanDerWaalsContact CZ-C 3.48Å; F285-E287 VanDerWaalsContact CZ-CA 3.49Å; F285-M288 HydrophobicContact CE2-CB 4.35Å
286L88.9Confident92.7Very high49 Ų4934.6 Ų34.626%0.25717%0.168SC..EExtended strand (participates in β ladder)trans-103.9-60176-176.565.4000110.4I130 E274 L276 Y284I130-L286 HydrophobicContact CD1-CD1 4.45Å; E274-L286 HydrophobicContact CB-CB 4.41Å; E274-L286 WeakPolarHBondContact O-CB 3.43Å; E274-L286 PolarHBondContact O-N 3.1Å; L276-L286 HydrophobicContact CD1-CD1 4.13Å; L276-L286 HydrophobicContact CD2-CD2 4.34Å; L276-L286 HydrophobicContact CG-CD1 4.26Å; L276-L286 HydrophobicContact CG-CD2 4.4Å; Y284-L286 PolarHBondContact O-N 3.02Å
287E90.5Very high92.8Very high72 Ų7233.8 Ų33.834%0.33616%0.163SC..EExtended strand (participates in β ladder)trans-162.9169.4179.861.4178.5-156.500111.3E274 F285 N289E274-E287 HydrophobicContact CB-CG 4.27Å; E274-E287 HydrophobicContact CG-CG 4.39Å; E274-E287 PolarHBondContact N-O 3.12Å; F285-E287 WeakPolarHBondContact CE2-O 3.43Å; F285-E287 VanDerWaalsContact CZ-C 3.48Å; F285-E287 VanDerWaalsContact CZ-CA 3.49Å; E287-N289 PolarHBondContact OE1-ND2 3.13Å
288M92.6Very high92.9Very high8 Ų833.8 Ų33.84%0.03916%0.163CC..EExtended strand (participates in β ladder)trans-116.9115.9167.5-174.5176.9-175.900109.4M112 V212 L261 A262 Y267 T272 V273 F285 T290M112-M288 HydrophobicContact CB-CB 4.35Å; M112-M288 HydrophobicContact CE-CB 3.6Å; M112-M288 HydrophobicContact CG-CB 4.21Å; M112-M288 HydrophobicContact CG-SD 3.97Å; V212-M288 HydrophobicContact CG2-CE 4.02Å; L261-M288 HydrophobicContact CD2-SD 4.41Å; L261-M288 HydrophobicContact CG-SD 4.45Å; A262-M288 HydrophobicContact CB-CE 4.11Å; Y267-M288 HydrophobicContact CD1-CE 3.94Å; Y267-M288 HydrophobicContact CD2-CE 3.4Å; Y267-M288 HydrophobicContact CD2-SD 4.15Å; Y267-M288 HydrophobicContact CE1-CE 3.92Å; Y267-M288 HydrophobicContact CE2-CE 3.39Å; Y267-M288 HydrophobicContact CE2-SD 4.18Å; Y267-M288 HydrophobicContact CG-CE 3.7Å; T272-M288 CarbonylContact O-C 3.28Å; T272-M288 VanDerWaalsContact O-CA 3.28Å; T272-M288 WeakPolarHBondContact O-CA 3.48Å; V273-M288 HydrophobicContact CG2-CE 4.3Å; V273-M288 HydrophobicContact CG2-CG 4.03Å; V273-M288 HydrophobicContact CG2-SD 4.19Å; F285-M288 HydrophobicContact CE2-CB 4.35Å; M288-T290 PolarHBondContact O-N 3.2Å
289N93Very high93.2Very high13 Ų1332.8 Ų32.87%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-78.7110.1174.5-82.7-106.5000109.1T272 E274 E287 R291 Q293T272-N289 PolarHBondContact N-O 2.96Å; T272-N289 VanDerWaalsContact N-O 3.08Å; T272-N289 PolarHBondContact O-N 3.36Å; E274-N289 PolarHBondContact OE1-ND2 3Å; E274-N289 VanDerWaalsContact OE1-ND2 3.08Å; E287-N289 PolarHBondContact OE1-ND2 3.13Å; N289-R291 PolarHBondContact O-N 3.47Å; N289-R291 PolarHBondContact OD1-NH2 3.43Å; N289-Q293 HydrophobicContact CB-CG 4.22Å; N289-Q293 VanDerWaalsContact CG-NE2 3.25Å; N289-Q293 PolarHBondContact OD1-NE2 3.17Å
290T92.9Very high93.6Very high7 Ų729.1 Ų29.14%0.04313%0.13CC..  trans-85.447.4-173.264.60000113.2P104 M112 Y267 M288P104-T290 WeakPolarHBondContact CD-O 3.36Å; P104-T290 WeakPolarHBondContact CG-O 3.32Å; M112-T290 HydrophobicContact CB-CG2 3.6Å; M112-T290 HydrophobicContact CG-CG2 4.23Å; Y267-T290 HydrophobicContact CE2-CG2 3.86Å; Y267-T290 WeakPolarHBondContact OH-CA 3.46Å; M288-T290 PolarHBondContact O-N 3.2Å
291R91.9Very high93.9Very high23 Ų2322.4 Ų22.49%0.08711%0.107CC..SBendtrans-161.3169.9-175.854.8172.9172.36910111.1S85 E86 N289S85-R291 WeakPolarHBondContact OG-CD 3.17Å; E86-R291 WeakPolarHBondContact OE2-CD 3.27Å; E86-R291 IonicContact OE2-CZ 3.61Å; E86-R291 IonicContact OE2-NE 3.41Å; E86-R291 PolarHBondContact OE2-NE 3.16Å; E86-R291 IonicContact OE2-NH2 2.66Å; N289-R291 PolarHBondContact O-N 3.47Å; N289-R291 PolarHBondContact OD1-NH2 3.43Å
292L92.7Very high94.2Very high0 Ų016.7 Ų16.70%09%0.085CC..  trans-61.1141.1163.3-168.664.8000109.3Y81 H296 L307 V308 M311Y81-L292 WeakPolarHBondContact CB-O 3.26Å; L292-H296 HydrophobicContact CD1-CB 3.66Å; L292-H296 HydrophobicContact CG-CB 4.25Å; L292-L307 HydrophobicContact CD1-CB 4.14Å; L292-L307 HydrophobicContact CD1-CD2 4.25Å; L292-V308 HydrophobicContact CD2-CG2 3.7Å; L292-M311 HydrophobicContact CB-CE 4.32Å; L292-M311 HydrophobicContact CB-SD 3.99Å; L292-M311 HydrophobicContact CD1-SD 4.01Å; L292-M311 HydrophobicContact CD2-SD 4.32Å; L292-M311 HydrophobicContact CG-SD 4.34Å
293Q92.3Very high94.4Very high3 Ų313.4 Ų13.41%0.0147%0.067CC..  trans-101.9165.8174.9-72.7-172.8-49.700111.5E209 T272 E274 N289 E295 H296E209-Q293 PolarHBondContact OE1-OE1 3.44Å; T272-Q293 PolarHBondContact OG1-OE1 2.58Å; E274-Q293 PolarHBondContact OE1-NE2 2.9Å; N289-Q293 HydrophobicContact CB-CG 4.22Å; N289-Q293 VanDerWaalsContact CG-NE2 3.25Å; N289-Q293 PolarHBondContact OD1-NE2 3.17Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 HydrophobicContact CB-CG 4.48Å; Q293-H296 PolarHBondContact O-N 2.91Å; Q293-H296 PolarHBondContact O-ND1 2.86Å
294V92.4Very high94.3Very high0 Ų015.3 Ų15.30%09%0.09CC..THydrogen-bonded Turntrans-66-45.4-171.2178.70000109.2R9 Y81 H296 P297 L386 K389R9-V294 HydrophobicContact CG-CG2 4.31Å; Y81-V294 HydrophobicContact CD2-CG2 3.86Å; Y81-V294 HydrophobicContact CE2-CG2 3.98Å; V294-H296 PolarHBondContact O-N 3.5Å; V294-H296 PolarHBondContact O-ND1 3.42Å; V294-P297 VanDerWaalsContact O-CD 3.24Å; V294-P297 WeakPolarHBondContact O-CD 3.47Å; V294-L386 HydrophobicContact CG1-CD2 4.05Å; V294-K389 HydrophobicContact CG1-CD 3.87Å; V294-K389 HydrophobicContact CG1-CG 4.25Å; V294-K389 WeakPolarHBondContact O-CD 3.44Å; V294-K389 WeakPolarHBondContact O-CE 3.33Å; V294-K389 PolarHBondContact O-NZ 2.84Å
295E95.3Very high94.2Very high2 Ų214.4 Ų14.41%0.0099%0.089CC..THydrogen-bonded Turntrans-7817.4-178.260.5-90.2-137.400114.4R226 K236 E239 Q293 P297 I298 E335 R337R226-E295 WeakPolarHBondContact CD-O 3.22Å; K236-E295 WeakPolarHBondContact CD-OE1 3.45Å; K236-E295 WeakPolarHBondContact CE-OE1 2.99Å; K236-E295 IonicContact NZ-OE1 3.02Å; K236-E295 PolarHBondContact NZ-OE1 3.17Å; E239-E295 HydrophobicContact CB-CB 4.01Å; E239-E295 HydrophobicContact CG-CB 3.75Å; E239-E295 HydrophobicContact CG-CG 4.08Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 HydrophobicContact CB-CG 4.48Å; E295-P297 VanDerWaalsContact C-N 3.31Å; E295-I298 HydrophobicContact CB-CD1 4.45Å; E295-I298 HydrophobicContact CB-CG1 4.48Å; E295-I298 WeakPolarHBondContact O-CG1 3.3Å; E295-E335 WeakPolarHBondContact CA-OE1 3.13Å; E295-E335 WeakPolarHBondContact CA-OE2 2.96Å; E295-R337 VanDerWaalsContact CD-NH2 3.29Å; E295-R337 IonicContact OE1-NH2 3.33Å; E295-R337 IonicContact OE2-CZ 3.31Å; E295-R337 IonicContact OE2-NH2 2.68Å; E295-R337 PolarHBondContact OE2-NH2 2.84Å
296H95.5Very high94.1Very high1 Ų115.9 Ų15.91%0.00510%0.097CC..Hα-helixtrans-58.7-31172.673.3-90.5000114.8L292 Q293 V294 I298 T299 E300 L307L292-H296 HydrophobicContact CD1-CB 3.66Å; L292-H296 HydrophobicContact CG-CB 4.25Å; Q293-H296 PolarHBondContact O-N 2.91Å; Q293-H296 PolarHBondContact O-ND1 2.86Å; V294-H296 PolarHBondContact O-N 3.5Å; V294-H296 PolarHBondContact O-ND1 3.42Å; H296-I298 VanDerWaalsContact C-N 3.27Å; H296-I298 PolarHBondContact O-N 2.81Å; H296-T299 WeakPolarHBondContact O-CB 3.34Å; H296-T299 PolarHBondContact O-N 2.75Å; H296-T299 VanDerWaalsContact O-N 3.07Å; H296-E300 IonicContact CD2-OE1 3.55Å; H296-E300 PolarHBondContact CD2-OE1 3.41Å; H296-E300 PolarHBondContact O-N 3.37Å; H296-L307 HydrophobicContact CB-CD2 3.69Å
297P96.5Very high94.3Very high0 Ų013.5 Ų13.50%08%0.084CC..Hα-helixtrans-58.7-30.3-179.1-30.539.7000115.3V294 E295 E300 A301 E335 K389 V391V294-P297 VanDerWaalsContact O-CD 3.24Å; V294-P297 WeakPolarHBondContact O-CD 3.47Å; E295-P297 VanDerWaalsContact C-N 3.31Å; P297-E300 PolarHBondContact O-N 2.75Å; P297-A301 WeakPolarHBondContact O-CB 3.45Å; P297-A301 PolarHBondContact O-N 3.32Å; P297-E335 WeakPolarHBondContact CD-OE2 3.36Å; P297-K389 HydrophobicContact CG-CD 4.36Å; P297-V391 HydrophobicContact CB-CG1 4.44Å; P297-V391 HydrophobicContact CB-CG2 3.64Å; P297-V391 HydrophobicContact CG-CG2 4.34Å
298I98.2Very high94.3Very high0 Ų010.3 Ų10.30%07%0.07CC..Hα-helixtrans-70.6-34.7176.949165.8000111.6R226 E239 A241 E295 H296 A301 I302 A333 E335 V391R226-I298 HydrophobicContact CB-CD1 4.15Å; R226-I298 HydrophobicContact CG-CD1 3.79Å; R226-I298 HydrophobicContact CG-CG1 4.2Å; E239-I298 HydrophobicContact CB-CD1 3.64Å; A241-I298 HydrophobicContact CB-CB 4.17Å; A241-I298 HydrophobicContact CB-CD1 4.03Å; A241-I298 HydrophobicContact CB-CG1 4.28Å; E295-I298 HydrophobicContact CB-CD1 4.45Å; E295-I298 HydrophobicContact CB-CG1 4.48Å; E295-I298 WeakPolarHBondContact O-CG1 3.3Å; H296-I298 VanDerWaalsContact C-N 3.27Å; H296-I298 PolarHBondContact O-N 2.81Å; I298-A301 PolarHBondContact O-N 3.43Å; I298-I302 PolarHBondContact O-N 2.86Å; I298-A333 HydrophobicContact CB-CB 3.81Å; I298-A333 HydrophobicContact CG2-CB 3.77Å; I298-E335 HydrophobicContact CG2-CB 3.66Å; I298-V391 HydrophobicContact CG2-CG1 3.9Å
299T97.9Very high94.2Very high0 Ų014.2 Ų14.20%09%0.088CC..Hα-helixtrans-65.1-44.7169.9-59.40000110.9Q211 L223 R226 H296 A301 I302 T303 L307Q211-T299 HydrophobicContact CB-CG2 4.26Å; Q211-T299 HydrophobicContact CG-CG2 4.12Å; L223-T299 HydrophobicContact CB-CG2 3.62Å; L223-T299 HydrophobicContact CD1-CG2 4.18Å; L223-T299 WeakPolarHBondContact O-CG2 3.33Å; R226-T299 WeakPolarHBondContact CD-OG1 3.41Å; R226-T299 PolarHBondContact NH1-OG1 3.46Å; H296-T299 WeakPolarHBondContact O-CB 3.34Å; H296-T299 PolarHBondContact O-N 2.75Å; H296-T299 VanDerWaalsContact O-N 3.07Å; T299-A301 VanDerWaalsContact C-N 3.26Å; T299-A301 PolarHBondContact O-N 3.11Å; T299-I302 PolarHBondContact O-N 3.49Å; T299-T303 HydrophobicContact CG2-CG2 4.19Å; T299-T303 WeakPolarHBondContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CG2 3.21Å; T299-T303 PolarHBondContact O-N 3.04Å; T299-T303 PolarHBondContact O-OG1 2.79Å; T299-L307 HydrophobicContact CG2-CD1 4.21Å; T299-L307 HydrophobicContact CG2-CD2 4.32Å
300E97Very high94.1Very high19 Ų1913.9 Ų13.99%0.0899%0.086CC..Hα-helixtrans-59.2-38.7175.2-60.9-171.2156.200111.5H296 P297 G304 V305 L307 R368H296-E300 IonicContact CD2-OE1 3.55Å; H296-E300 PolarHBondContact CD2-OE1 3.41Å; H296-E300 PolarHBondContact O-N 3.37Å; P297-E300 PolarHBondContact O-N 2.75Å; E300-G304 WeakPolarHBondContact O-CA 3.48Å; E300-G304 PolarHBondContact O-N 2.62Å; E300-V305 WeakPolarHBondContact CA-O 3.24Å; E300-V305 VanDerWaalsContact CG-O 3.3Å; E300-V305 WeakPolarHBondContact CG-O 3.34Å; E300-L307 HydrophobicContact CG-CB 4.36Å; E300-L307 HydrophobicContact CG-CD1 3.88Å; E300-L307 PolarHBondContact OE1-N 3.06Å; E300-R368 IonicContact OE2-CZ 3.27Å; E300-R368 VanDerWaalsContact OE2-CZ 3.27Å; E300-R368 IonicContact OE2-NH1 2.79Å; E300-R368 PolarHBondContact OE2-NH1 3.3Å; E300-R368 IonicContact OE2-NH2 3.57Å; E300-R368 PolarHBondContact OE2-NH2 3.31Å
301A96.8Very high94.1Very high29 Ų2913.7 Ų13.724%0.249%0.085CC..Hα-helixtrans-67-41.9-178.600000113.1P297 I298 T299 A333 H393P297-A301 WeakPolarHBondContact O-CB 3.45Å; P297-A301 PolarHBondContact O-N 3.32Å; I298-A301 PolarHBondContact O-N 3.43Å; T299-A301 VanDerWaalsContact C-N 3.26Å; T299-A301 PolarHBondContact O-N 3.11Å; A301-A333 HydrophobicContact CB-CB 3.65Å; A301-H393 HydrophobicContact CB-CB 4.28Å
302I97.6Very high94Very high0 Ų014.3 Ų14.30%09%0.089CC..Hα-helixtrans-84.4-28.9-178.666.4164.9000113.6N224 A241 I298 T299 R330 A333N224-I302 HydrophobicContact CB-CD1 4.35Å; A241-I302 HydrophobicContact CB-CD1 3.72Å; A241-I302 HydrophobicContact CB-CG1 4.35Å; A241-I302 VanDerWaalsContact O-CG2 3.32Å; A241-I302 WeakPolarHBondContact O-CG2 3.35Å; I298-I302 PolarHBondContact O-N 2.86Å; T299-I302 PolarHBondContact O-N 3.49Å; I302-R330 WeakPolarHBondContact O-CB 3.22Å; I302-R330 PolarHBondContact O-N 3.34Å; I302-A333 HydrophobicContact CG2-CB 3.86Å
303T96.7Very high93.8Very high2 Ų218.4 Ų18.41%0.01210%0.104CC..Hα-helixtrans-94.2-28.9-179.563.80000112L223 T299 V305 V327 R330L223-T303 HydrophobicContact CB-CG2 4.27Å; T299-T303 HydrophobicContact CG2-CG2 4.19Å; T299-T303 WeakPolarHBondContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CG2 3.21Å; T299-T303 PolarHBondContact O-N 3.04Å; T299-T303 PolarHBondContact O-OG1 2.79Å; T303-V305 PolarHBondContact O-N 2.87Å; T303-V305 PolarHBondContact OG1-N 3.4Å; T303-V327 HydrophobicContact CG2-CG1 3.94Å; T303-R330 PolarHBondContact O-NH2 3.12Å
304G92.6Very high93.9Very high51 Ų5118.3 Ų18.353%0.52610%0.104SC..  trans65.518.4-167.900000114.5E300 R330E300-G304 WeakPolarHBondContact O-CA 3.48Å; E300-G304 PolarHBondContact O-N 2.62Å; G304-R330 VanDerWaalsContact CA-NH2 3.27Å
305V93.2Very high93.8Very high20 Ų2018.7 Ų18.712%0.12111%0.107CC..  trans-89.5125.6171.5-179.60000108L223 E300 T303 L307 Q310 F322L223-V305 HydrophobicContact CD1-CB 4.39Å; L223-V305 HydrophobicContact CD1-CG1 4.26Å; L223-V305 HydrophobicContact CD2-CG2 4.45Å; E300-V305 WeakPolarHBondContact CA-O 3.24Å; E300-V305 VanDerWaalsContact CG-O 3.3Å; E300-V305 WeakPolarHBondContact CG-O 3.34Å; T303-V305 PolarHBondContact O-N 2.87Å; T303-V305 PolarHBondContact OG1-N 3.4Å; V305-L307 HydrophobicContact CB-CD1 4.36Å; V305-L307 HydrophobicContact CG1-CD1 4.26Å; V305-L307 WeakPolarHBondContact O-CD1 3.31Å; V305-L307 PolarHBondContact O-N 3.33Å; V305-Q310 HydrophobicContact CG1-CG 3.64Å; V305-F322 HydrophobicContact CG1-CE1 3.83Å; V305-F322 HydrophobicContact CG1-CZ 3.83Å; V305-F322 HydrophobicContact CG2-CE1 4.26Å; V305-F322 HydrophobicContact CG2-CZ 4.19Å
306D92.4Very high93.5Very high34 Ų3423.8 Ų23.818%0.18213%0.127CC..  trans-79.2108.4171.2-178.9-38.3000108.7V308 Q309 Q310D306-V308 PolarHBondContact OD1-N 3.1Å; D306-Q309 HydrophobicContact CB-CB 3.78Å; D306-Q309 VanDerWaalsContact CG-CB 3.44Å; D306-Q309 PolarHBondContact O-N 3.41Å; D306-Q309 VanDerWaalsContact OD1-CB 3.26Å; D306-Q309 WeakPolarHBondContact OD1-CB 3.47Å; D306-Q309 PolarHBondContact OD1-N 3.31Å; D306-Q310 WeakPolarHBondContact O-CG 3.38Å; D306-Q310 PolarHBondContact O-N 3.28Å
307L93.2Very high93.3Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-68.5-42.8-170.5-9556000110.7Q211 F213 L223 L292 H296 T299 E300 V305 Q309 Q310 M311Q211-L307 HydrophobicContact CG-CD2 4.05Å; F213-L307 HydrophobicContact CE2-CB 4.29Å; F213-L307 HydrophobicContact CE2-CD1 4.02Å; F213-L307 HydrophobicContact CE2-CG 3.68Å; F213-L307 HydrophobicContact CZ-CB 4.03Å; F213-L307 HydrophobicContact CZ-CG 3.84Å; F213-L307 WeakPolarHBondContact CZ-O 3.47Å; L223-L307 HydrophobicContact CD1-CD1 3.56Å; L223-L307 HydrophobicContact CD1-CG 4.24Å; L292-L307 HydrophobicContact CD1-CB 4.14Å; L292-L307 HydrophobicContact CD1-CD2 4.25Å; H296-L307 HydrophobicContact CB-CD2 3.69Å; T299-L307 HydrophobicContact CG2-CD1 4.21Å; T299-L307 HydrophobicContact CG2-CD2 4.32Å; E300-L307 HydrophobicContact CG-CB 4.36Å; E300-L307 HydrophobicContact CG-CD1 3.88Å; E300-L307 PolarHBondContact OE1-N 3.06Å; V305-L307 HydrophobicContact CB-CD1 4.36Å; V305-L307 HydrophobicContact CG1-CD1 4.26Å; V305-L307 WeakPolarHBondContact O-CD1 3.31Å; V305-L307 PolarHBondContact O-N 3.33Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; L307-Q309 PolarHBondContact O-N 2.76Å; L307-Q310 PolarHBondContact O-N 3.47Å; L307-Q310 VanDerWaalsContact O-N 3.16Å; L307-M311 WeakPolarHBondContact O-CG 3.16Å; L307-M311 PolarHBondContact O-N 3Å
308V90Very high93.1Very high4 Ų428.9 Ų28.92%0.02416%0.158CC..Hα-helixtrans-64.1-42.3179.51770000110.4F3 L292 D306 Q310 M311 I312F3-V308 HydrophobicContact CD2-CG1 4.46Å; L292-V308 HydrophobicContact CD2-CG2 3.7Å; D306-V308 PolarHBondContact OD1-N 3.1Å; V308-Q310 VanDerWaalsContact C-N 3.3Å; V308-Q310 PolarHBondContact O-N 3.29Å; V308-M311 PolarHBondContact O-N 2.84Å; V308-I312 HydrophobicContact CG1-CD1 4.18Å; V308-I312 WeakPolarHBondContact O-CG1 3.46Å; V308-I312 PolarHBondContact O-N 2.82Å
309Q89.3Confident92.9Very high91 Ų9135 Ų3543%0.42519%0.185SC..Hα-helixtrans-58.9-43.1174.4-176.6-176.34600111.5D306 L307 I312 R313D306-Q309 HydrophobicContact CB-CB 3.78Å; D306-Q309 VanDerWaalsContact CG-CB 3.44Å; D306-Q309 PolarHBondContact O-N 3.41Å; D306-Q309 VanDerWaalsContact OD1-CB 3.26Å; D306-Q309 WeakPolarHBondContact OD1-CB 3.47Å; D306-Q309 PolarHBondContact OD1-N 3.31Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; L307-Q309 PolarHBondContact O-N 2.76Å; Q309-I312 PolarHBondContact O-N 3.42Å; Q309-R313 WeakPolarHBondContact O-CG 3.28Å; Q309-R313 PolarHBondContact O-N 2.97Å
310Q91.6Very high92.6Very high6 Ų636.1 Ų36.13%0.02819%0.191CC..Hα-helixtrans-66.4-41.2177.8-69.6-57.8-24.300112.3F213 V305 D306 L307 V308 I312 R313 I314 N321 F322F213-Q310 HydrophobicContact CD2-CB 4.36Å; F213-Q310 HydrophobicContact CE1-CB 3.91Å; F213-Q310 HydrophobicContact CE2-CB 3.7Å; F213-Q310 HydrophobicContact CE2-CG 4.17Å; F213-Q310 HydrophobicContact CZ-CB 3.48Å; F213-Q310 VanDerWaalsContact CZ-CB 3.48Å; F213-Q310 HydrophobicContact CZ-CG 4.42Å; V305-Q310 HydrophobicContact CG1-CG 3.64Å; D306-Q310 WeakPolarHBondContact O-CG 3.38Å; D306-Q310 PolarHBondContact O-N 3.28Å; L307-Q310 PolarHBondContact O-N 3.47Å; L307-Q310 VanDerWaalsContact O-N 3.16Å; V308-Q310 VanDerWaalsContact C-N 3.3Å; V308-Q310 PolarHBondContact O-N 3.29Å; Q310-I312 VanDerWaalsContact C-N 3.27Å; Q310-I312 PolarHBondContact O-N 3.11Å; Q310-R313 PolarHBondContact O-N 3.46Å; Q310-R313 VanDerWaalsContact O-N 3.12Å; Q310-I314 WeakPolarHBondContact O-CB 3.4Å; Q310-I314 WeakPolarHBondContact O-CD1 3.36Å; Q310-I314 VanDerWaalsContact O-CG1 3.29Å; Q310-I314 WeakPolarHBondContact O-CG1 3.41Å; Q310-I314 PolarHBondContact O-N 2.67Å; Q310-N321 PolarHBondContact NE2-OD1 3.27Å; Q310-N321 PolarHBondContact OE1-OD1 2.8Å; Q310-F322 HydrophobicContact CG-CE1 4.13Å
311M92.6Very high92.2Very high3 Ų339.9 Ų39.92%0.01521%0.211CC..Hα-helixtrans-55.7-43.9173.3-67.9175.769.600111.4I102 F213 A270 L292 L307 V308 I314 A315I102-M311 HydrophobicContact CG2-CB 3.9Å; F213-M311 HydrophobicContact CE1-CG 3.81Å; F213-M311 HydrophobicContact CZ-CG 4.21Å; A270-M311 HydrophobicContact CB-CE 4.34Å; A270-M311 HydrophobicContact CB-CG 3.65Å; A270-M311 HydrophobicContact CB-SD 3.7Å; L292-M311 HydrophobicContact CB-CE 4.32Å; L292-M311 HydrophobicContact CB-SD 3.99Å; L292-M311 HydrophobicContact CD1-SD 4.01Å; L292-M311 HydrophobicContact CD2-SD 4.32Å; L292-M311 HydrophobicContact CG-SD 4.34Å; L307-M311 WeakPolarHBondContact O-CG 3.16Å; L307-M311 PolarHBondContact O-N 3Å; V308-M311 PolarHBondContact O-N 2.84Å; M311-I314 PolarHBondContact O-N 2.83Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 3.43Å
312I89.3Confident92.1Very high35 Ų3539.7 Ų39.718%0.17921%0.205CC..Hα-helixtrans-63.9-43.4177-64164.2000111F3 L17 W20 I102 V308 Q309 Q310 A315 Y316F3-I312 HydrophobicContact CE2-CD1 4.31Å; L17-I312 HydrophobicContact CD1-CG2 4.34Å; W20-I312 HydrophobicContact CH2-CG2 4.05Å; W20-I312 WeakPolarHBondContact CH2-O 3.35Å; W20-I312 HydrophobicContact CZ3-CG2 4.19Å; W20-I312 WeakPolarHBondContact CZ3-O 3.26Å; I102-I312 HydrophobicContact CD1-CG1 4.22Å; I102-I312 HydrophobicContact CG2-CG1 4.27Å; V308-I312 HydrophobicContact CG1-CD1 4.18Å; V308-I312 WeakPolarHBondContact O-CG1 3.46Å; V308-I312 PolarHBondContact O-N 2.82Å; Q309-I312 PolarHBondContact O-N 3.42Å; Q310-I312 VanDerWaalsContact C-N 3.27Å; Q310-I312 PolarHBondContact O-N 3.11Å; I312-A315 PolarHBondContact O-N 2.89Å; I312-Y316 PolarHBondContact O-N 3.1Å; I312-Y316 VanDerWaalsContact O-N 3.09Å
313R90.1Very high91.9Very high86 Ų8641.1 Ų41.133%0.32522%0.217SC..Hα-helixtrans-63.4-45.6178.4-71.2174.366.890.26.2112.1Q309 Q310 Y316 G317 H318Q309-R313 WeakPolarHBondContact O-CG 3.28Å; Q309-R313 PolarHBondContact O-N 2.97Å; Q310-R313 PolarHBondContact O-N 3.46Å; Q310-R313 VanDerWaalsContact O-N 3.12Å; R313-Y316 WeakPolarHBondContact O-CB 3.32Å; R313-Y316 PolarHBondContact O-N 3.49Å; R313-G317 PolarHBondContact O-N 2.87Å; R313-H318 HydrophobicContact CB-CB 4.32Å; R313-H318 WeakPolarHBondContact O-CB 3.45Å; R313-H318 PolarHBondContact O-N 2.81Å
314I93.4Very high91.8Very high1 Ų143.4 Ų43.41%0.00523%0.227CC..Hα-helixtrans-64.7-42.3178.2-67.3160.5000110.4F213 C214 D215 D268 Q310 M311 Y316 G317 L320F213-I314 HydrophobicContact CD1-CD1 3.39Å; F213-I314 HydrophobicContact CE1-CD1 3.85Å; F213-I314 HydrophobicContact CG-CD1 4.17Å; C214-I314 WeakPolarHBondContact O-CG2 3.11Å; D215-I314 HydrophobicContact CB-CG1 4.43Å; D268-I314 HydrophobicContact CB-CG2 4.39Å; Q310-I314 WeakPolarHBondContact O-CB 3.4Å; Q310-I314 WeakPolarHBondContact O-CD1 3.36Å; Q310-I314 VanDerWaalsContact O-CG1 3.29Å; Q310-I314 WeakPolarHBondContact O-CG1 3.41Å; Q310-I314 PolarHBondContact O-N 2.67Å; M311-I314 PolarHBondContact O-N 2.83Å; I314-Y316 PolarHBondContact O-N 3.32Å; I314-G317 WeakPolarHBondContact O-CA 3.39Å; I314-G317 PolarHBondContact O-N 2.97Å; I314-L320 HydrophobicContact CD1-CD2 3.83Å; I314-L320 HydrophobicContact CG1-CD2 4.16Å
315A91.1Very high91.9Very high8 Ų851.2 Ų51.27%0.06624%0.241CC..Hα-helixtrans-57.1-37.8175.200000111.5W20 V100 I102 K216 M311 I312 G317W20-A315 HydrophobicContact CH2-CB 4Å; V100-A315 HydrophobicContact CG1-CB 3.9Å; I102-A315 HydrophobicContact CB-CB 4.48Å; I102-A315 HydrophobicContact CG1-CB 4.12Å; I102-A315 HydrophobicContact CG2-CB 4.33Å; K216-A315 PolarHBondContact NZ-O 3.32Å; M311-A315 WeakPolarHBondContact O-CB 3.28Å; M311-A315 PolarHBondContact O-N 3.43Å; I312-A315 PolarHBondContact O-N 2.89Å; A315-G317 PolarHBondContact O-N 3.5Å
316Y88.8Confident91.9Very high109 Ų10954.3 Ų54.343%0.42726%0.257SS..THydrogen-bonded Turntrans-62-23172-152.4-130.2000114.8W20 L21 I312 R313 I314 H318W20-Y316 HydrophobicContact CB-CE2 4.29Å; W20-Y316 HydrophobicContact CD2-CD2 4.06Å; W20-Y316 HydrophobicContact CD2-CE2 4.39Å; W20-Y316 AromaticContact CE3-CD2 2.99Å; W20-Y316 HydrophobicContact CE3-CD2 2.99Å; W20-Y316 AromaticContact CE3-CE2 3.58Å; W20-Y316 HydrophobicContact CE3-CE2 3.58Å; W20-Y316 AromaticContact CE3-CG 3.78Å; W20-Y316 HydrophobicContact CE3-CG 3.78Å; W20-Y316 HydrophobicContact CH2-CD2 4.38Å; W20-Y316 VanDerWaalsContact CZ3-CB 3.42Å; W20-Y316 AromaticContact CZ3-CD2 3.22Å; W20-Y316 HydrophobicContact CZ3-CD2 3.22Å; W20-Y316 HydrophobicContact CZ3-CE2 4.24Å; W20-Y316 AromaticContact CZ3-CG 3.62Å; W20-Y316 HydrophobicContact CZ3-CG 3.62Å; L21-Y316 WeakPolarHBondContact CD2-OH 3.23Å; I312-Y316 PolarHBondContact O-N 3.1Å; I312-Y316 VanDerWaalsContact O-N 3.09Å; R313-Y316 WeakPolarHBondContact O-CB 3.32Å; R313-Y316 PolarHBondContact O-N 3.49Å; I314-Y316 PolarHBondContact O-N 3.32Å; Y316-H318 AromaticContact CD1-CD2 3.62Å; Y316-H318 AromaticContact CD1-CE1 3.77Å; Y316-H318 AromaticContact CD1-NE2 3.33Å; Y316-H318 VanDerWaalsContact CD1-NE2 3.33Å; Y316-H318 WeakPolarHBondContact CD1-NE2 3.47Å; Y316-H318 AromaticContact CE1-NE2 3.85Å
317G91Very high92.1Very high27 Ų2753.5 Ų53.528%0.27825%0.253SS..THydrogen-bonded Turntrans92.615.8-16800000114.4H217 R313 I314 A315H217-G317 PolarHBondContact NE2-O 2.8Å; R313-G317 PolarHBondContact O-N 2.87Å; I314-G317 WeakPolarHBondContact O-CA 3.39Å; I314-G317 PolarHBondContact O-N 2.97Å; A315-G317 PolarHBondContact O-N 3.5Å
318H92.4Very high91.9Very high82 Ų8255.7 Ų55.738%0.3827%0.267SS..PPolyproline II helixtrans-70.4146.1167.9-72.8-52.8000111.3R313 Y316R313-H318 HydrophobicContact CB-CB 4.32Å; R313-H318 WeakPolarHBondContact O-CB 3.45Å; R313-H318 PolarHBondContact O-N 2.81Å; Y316-H318 AromaticContact CD1-CD2 3.62Å; Y316-H318 AromaticContact CD1-CE1 3.77Å; Y316-H318 AromaticContact CD1-NE2 3.33Å; Y316-H318 VanDerWaalsContact CD1-NE2 3.33Å; Y316-H318 WeakPolarHBondContact CD1-NE2 3.47Å; Y316-H318 AromaticContact CE1-NE2 3.85Å
319K93.7Very high92.2Very high129 Ų12959 Ų5956%0.56128%0.284SS*.PPolyproline II helixtrans-66.3153.5165.6-68.8-175.6-175.2-169.70110.6D215 H217 N321D215-K319 VanDerWaalsContact OD2-CA 3.3Å; D215-K319 WeakPolarHBondContact OD2-CA 3.41Å; H217-K319 HydrophobicContact CB-CD 4.35Å; H217-K319 HydrophobicContact CB-CG 3.93Å; H217-K319 WeakPolarHBondContact CD2-CG 3.4Å; H217-K319 VanDerWaalsContact CG-CG 3.43Å; H217-K319 VanDerWaalsContact ND1-CE 3.31Å; H217-K319 WeakPolarHBondContact ND1-CE 3.24Å; K319-N321 PolarHBondContact O-N 2.8Å
320L92.8Very high92.5Very high23 Ų2361.1 Ų61.112%0.1229%0.288CS..PPolyproline II helixtrans-54.1133.7167.5-66.7175.2000109.6F213 D215 N219 V221 I314 F322F213-L320 HydrophobicContact CB-CD2 4.05Å; D215-L320 HydrophobicContact CB-CG 3.99Å; D215-L320 PolarHBondContact OD2-N 3.25Å; N219-L320 HydrophobicContact CB-CD1 4.23Å; V221-L320 HydrophobicContact CB-CD1 4.43Å; V221-L320 HydrophobicContact CG1-CD1 4.01Å; V221-L320 HydrophobicContact CG2-CD1 3.71Å; I314-L320 HydrophobicContact CD1-CD2 3.83Å; I314-L320 HydrophobicContact CG1-CD2 4.16Å; L320-F322 VanDerWaalsContact C-N 3.26Å; L320-F322 PolarHBondContact O-N 3.24Å
321N87.6Confident92.8Very high97 Ų9761.8 Ų61.852%0.51930%0.297SS..SBendtrans-89.89.9-178.566.3-49.6000113.3Q310 K319Q310-N321 PolarHBondContact NE2-OD1 3.27Å; Q310-N321 PolarHBondContact OE1-OD1 2.8Å; K319-N321 PolarHBondContact O-N 2.8Å
322F93.9Very high93.1Very high26 Ų2663.8 Ų63.811%0.11430%0.304CS..SBendtrans-150.2148.4179.556.2-93.4000109.3F213 V221 L223 V305 Q310 L320 D326 V327F213-F322 HydrophobicContact CD2-CZ 4.43Å; V221-F322 HydrophobicContact CG2-CD2 4.36Å; V221-F322 HydrophobicContact CG2-CE2 3.62Å; V221-F322 HydrophobicContact CG2-CZ 4.36Å; L223-F322 HydrophobicContact CD2-CE2 3.74Å; L223-F322 HydrophobicContact CD2-CZ 4.17Å; V305-F322 HydrophobicContact CG1-CE1 3.83Å; V305-F322 HydrophobicContact CG1-CZ 3.83Å; V305-F322 HydrophobicContact CG2-CE1 4.26Å; V305-F322 HydrophobicContact CG2-CZ 4.19Å; Q310-F322 HydrophobicContact CG-CE1 4.13Å; L320-F322 VanDerWaalsContact C-N 3.26Å; L320-F322 PolarHBondContact O-N 3.24Å; F322-D326 HydrophobicContact CB-CB 3.92Å; F322-V327 HydrophobicContact CD2-CG2 3.86Å; F322-V327 HydrophobicContact CE2-CG2 4.02Å
323A93.8Very high93.5Very high30 Ų3062.1 Ų62.125%0.24830%0.296CS..  trans-99.1172.917300000110.5R325 D326A323-R325 HydrophobicContact CB-CG 4.2Å; A323-R325 PolarHBondContact O-N 3.47Å; A323-R325 VanDerWaalsContact O-N 3.17Å; A323-D326 PolarHBondContact N-OD2 3.23Å; A323-D326 WeakPolarHBondContact O-CB 3.44Å; A323-D326 PolarHBondContact O-N 2.84Å
324Q95.7Very high93.9Very high49 Ų4958 Ų5823%0.22928%0.28CS..G310 helixtrans-56-36.3-179-170.758.853.500113.6W222 D326 V327W222-Q324 HydrophobicContact CD2-CG 4.2Å; W222-Q324 VanDerWaalsContact CE2-NE2 3.29Å; W222-Q324 VanDerWaalsContact CE3-CD 3.48Å; W222-Q324 HydrophobicContact CE3-CG 4.09Å; W222-Q324 HydrophobicContact CH2-CG 3.5Å; W222-Q324 VanDerWaalsContact CH2-CG 3.5Å; W222-Q324 HydrophobicContact CZ2-CG 3.6Å; W222-Q324 HydrophobicContact CZ3-CG 3.74Å; W222-Q324 PolarHBondContact O-NE2 2.59Å; W222-Q324 PolarHBondContact O-OE1 2.84Å; Q324-D326 PolarHBondContact O-N 2.87Å; Q324-V327 PolarHBondContact O-N 3.49Å
325R94.3Very high94.2Very high215 Ų21558 Ų5881%0.81128%0.28SS*.G310 helixtrans-64.9-20176.764.2177.1177.2-94.2-5.6114.1A323A323-R325 HydrophobicContact CB-CG 4.2Å; A323-R325 PolarHBondContact O-N 3.47Å; A323-R325 VanDerWaalsContact O-N 3.17Å
326D93.5Very high94.5Very high86 Ų8657.6 Ų57.646%0.4628%0.277SS..G310 helixtrans-92.8-1.5-177.1-54-45.6000111.7F322 A323 Q324 P328F322-D326 HydrophobicContact CB-CB 3.92Å; A323-D326 PolarHBondContact N-OD2 3.23Å; A323-D326 WeakPolarHBondContact O-CB 3.44Å; A323-D326 PolarHBondContact O-N 2.84Å; Q324-D326 PolarHBondContact O-N 2.87Å; D326-P328 WeakPolarHBondContact O-CD 3.14Å
327V95.4Very high94.9Very high17 Ų1752.4 Ų52.410%0.10326%0.256CS..  trans-91.3103.7-179.8-178.90000109.6L223 T303 F322 Q324L223-V327 HydrophobicContact CD2-CB 4.47Å; L223-V327 HydrophobicContact CD2-CG1 3.78Å; L223-V327 HydrophobicContact CD2-CG2 3.76Å; T303-V327 HydrophobicContact CG2-CG1 3.94Å; F322-V327 HydrophobicContact CD2-CG2 3.86Å; F322-V327 HydrophobicContact CE2-CG2 4.02Å; Q324-V327 PolarHBondContact O-N 3.49Å
328P90.6Very high95.2Very high46 Ų4651.1 Ų51.130%0.29924%0.243SC..  trans-86.1166.6-178.438-37.6000111.7N224 D326 R330N224-P328 PolarHBondContact ND2-O 2.85Å; D326-P328 WeakPolarHBondContact O-CD 3.14Å; P328-R330 HydrophobicContact CB-CG 3.92Å; P328-R330 HydrophobicContact CG-CG 3.94Å
329I95.7Very high95.2Very high73 Ų7347.5 Ų47.537%0.37423%0.226SC..  trans-109.298.9158.1-61.5175.4000106.9N224 P242N224-I329 WeakPolarHBondContact ND2-CG1 3.36Å; P242-I329 HydrophobicContact CG-CG2 4.04Å
330R95.7Very high95.1Very high135 Ų13541.3 Ų41.351%0.50920%0.199SC..  trans-99.995.1178.2-64.2-174.4-77.7-168.4-10.8109.8I302 T303 G304 P328 H393I302-R330 WeakPolarHBondContact O-CB 3.22Å; I302-R330 PolarHBondContact O-N 3.34Å; T303-R330 PolarHBondContact O-NH2 3.12Å; G304-R330 VanDerWaalsContact CA-NH2 3.27Å; P328-R330 HydrophobicContact CB-CG 3.92Å; P328-R330 HydrophobicContact CG-CG 3.94Å; R330-H393 PolarHBondContact O-NE2 3.42Å
331G97.3Very high94.8Very high20 Ų2040.5 Ų40.521%0.20620%0.195CC..SBendtrans70.7-150.2177.600000113.2G394 K395G331-G394 CarbonylContact C-O 3.53Å; G331-G394 VanDerWaalsContact CA-O 3.22Å; G331-G394 WeakPolarHBondContact CA-O 3.22Å; G331-K395 WeakPolarHBondContact CA-O 3.22Å
332W98.5Very high94.9Very high45 Ų4536.9 Ų36.917%0.1718%0.175CC..EExtended strand (participates in β ladder)trans-135.2140.7-174-144.2-74.8000110.2E240 A241 P242 P244 H393 G394 R397 A400E240-W332 PolarHBondContact OE2-NE1 3.43Å; A241-W332 WeakPolarHBondContact O-CA 3.31Å; P242-W332 HydrophobicContact CG-CD2 3.93Å; P242-W332 HydrophobicContact CG-CE3 3.72Å; P242-W332 HydrophobicContact CG-CH2 3.81Å; P242-W332 HydrophobicContact CG-CZ2 4.02Å; P242-W332 HydrophobicContact CG-CZ3 3.66Å; P242-W332 WeakPolarHBondContact O-CZ2 3.32Å; P242-W332 PolarHBondContact O-NE1 2.87Å; P242-W332 VanDerWaalsContact O-NE1 3.15Å; P244-W332 HydrophobicContact CB-CH2 4.42Å; P244-W332 HydrophobicContact CB-CZ2 4.12Å; W332-H393 CarbonylContact O-C 3.59Å; W332-H393 WeakPolarHBondContact O-CA 3.24Å; W332-H393 PolarHBondContact O-CD2 3.32Å; W332-G394 PolarHBondContact N-O 2.92Å; W332-G394 PolarHBondContact O-N 2.82Å; W332-R397 HydrophobicContact CD2-CB 3.56Å; W332-R397 HydrophobicContact CD2-CG 4.03Å; W332-R397 HydrophobicContact CE3-CB 3.87Å; W332-R397 HydrophobicContact CG-CB 3.87Å; W332-R397 HydrophobicContact CG-CG 4.22Å; W332-R397 HydrophobicContact CH2-CB 4.47Å; W332-R397 HydrophobicContact CZ2-CB 4.2Å; W332-R397 HydrophobicContact CZ2-CG 4.12Å; W332-R397 HydrophobicContact CZ3-CB 4.31Å; W332-A400 HydrophobicContact CB-CB 4.13Å
333A98.7Very high94.7Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-127.6142.717700000110.7E240 A241 I298 A301 I302 T392E240-A333 CarbonylContact C-O 3.44Å; E240-A333 VanDerWaalsContact CA-O 3.26Å; E240-A333 WeakPolarHBondContact CA-O 3.37Å; A241-A333 PolarHBondContact N-O 2.84Å; A241-A333 PolarHBondContact O-N 3.07Å; I298-A333 HydrophobicContact CB-CB 3.81Å; I298-A333 HydrophobicContact CG2-CB 3.77Å; A301-A333 HydrophobicContact CB-CB 3.65Å; I302-A333 HydrophobicContact CG2-CB 3.86Å; A333-T392 VanDerWaalsContact CA-O 3.29Å; A333-T392 WeakPolarHBondContact CA-O 3.35Å
334I98.8Very high94.4Very high0 Ų038.5 Ų38.50%018%0.175CC..EExtended strand (participates in β ladder)trans-128135.3176.9-59.4176.6000107.6I238 E239 E240 V391 T392 A400 M401 M404 M427I238-I334 HydrophobicContact CG2-CG2 3.96Å; E239-I334 CarbonylContact O-C 3.32Å; E239-I334 WeakPolarHBondContact O-CA 3.19Å; E240-I334 HydrophobicContact CB-CG1 3.97Å; I334-V391 CarbonylContact O-C 3.58Å; I334-V391 VanDerWaalsContact O-CA 3.28Å; I334-V391 WeakPolarHBondContact O-CA 3.18Å; I334-T392 PolarHBondContact N-O 2.69Å; I334-T392 PolarHBondContact O-N 2.85Å; I334-A400 HydrophobicContact CD1-CB 4.01Å; I334-A400 HydrophobicContact CG1-CB 4.1Å; I334-M401 HydrophobicContact CD1-CB 4.23Å; I334-M401 HydrophobicContact CD1-CG 3.4Å; I334-M401 VanDerWaalsContact CD1-CG 3.4Å; I334-M404 HydrophobicContact CB-CE 4.17Å; I334-M404 HydrophobicContact CG2-CE 3.96Å; I334-M404 WeakPolarHBondContact O-CE 3.41Å; I334-M427 HydrophobicContact CG2-CE 4.09Å; I334-M427 HydrophobicContact CG2-SD 4.44Å
335E98.7Very high93.7Very high0 Ų041.7 Ų41.70%019%0.189CC..EExtended strand (participates in β ladder)trans-112.7132.3170.8-177.1168.7131.200109.5I238 E239 E295 P297 I298 K389 L390 V391I238-E335 WeakPolarHBondContact CA-O 3.45Å; E239-E335 PolarHBondContact N-O 2.78Å; E239-E335 PolarHBondContact O-N 3.34Å; E295-E335 WeakPolarHBondContact CA-OE1 3.13Å; E295-E335 WeakPolarHBondContact CA-OE2 2.96Å; P297-E335 WeakPolarHBondContact CD-OE2 3.36Å; I298-E335 HydrophobicContact CG2-CB 3.66Å; E335-K389 HydrophobicContact CG-CB 4.19Å; E335-L390 CarbonylContact C-O 3.55Å; E335-L390 WeakPolarHBondContact CA-O 3.48Å; E335-V391 HydrophobicContact CB-CG2 4.14Å; E335-V391 HydrophobicContact CG-CG2 3.95Å
336C98.5Very high92.5Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-113.5122.5169.7-79.70000108.3V338 L390 M404 L423C336-V338 PolarHBondContact O-N 3.11Å; C336-L390 PolarHBondContact N-O 2.96Å; C336-L390 PolarHBondContact O-N 2.53Å; C336-M404 HydrophobicContact CB-CE 4.04Å; C336-M404 HydrophobicContact CB-SD 3.88Å; C336-L423 HydrophobicContact CB-CD1 4.11Å; C336-L423 HydrophobicContact CB-CD2 4.29Å
337R96.5Very high91.7Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-79.2102.9172.4-59.4-165-165.3-155.7-2.3110K236 V237 E239 E295 Y339 L386 N419K236-R337 WeakPolarHBondContact O-CD 3.23Å; K236-R337 PolarHBondContact O-NE 2.85Å; V237-R337 PolarHBondContact O-N 3.31Å; E239-R337 IonicContact OE1-CZ 2.67Å; E239-R337 IonicContact OE1-NE 3.68Å; E239-R337 PolarHBondContact OE1-NE 3.49Å; E239-R337 IonicContact OE1-NH2 3.92Å; E239-R337 PolarHBondContact OE1-NH2 3.08Å; E239-R337 IonicContact OE2-NE 2.7Å; E295-R337 VanDerWaalsContact CD-NH2 3.29Å; E295-R337 IonicContact OE1-NH2 3.33Å; E295-R337 IonicContact OE2-CZ 3.31Å; E295-R337 IonicContact OE2-NH2 2.68Å; E295-R337 PolarHBondContact OE2-NH2 2.84Å; R337-Y339 HydrophobicContact CB-CD2 4.03Å; R337-Y339 HydrophobicContact CB-CE2 3.43Å; R337-Y339 VanDerWaalsContact CB-CE2 3.43Å; R337-Y339 VanDerWaalsContact CD-OH 3.3Å; R337-Y339 WeakPolarHBondContact CD-OH 3.27Å; R337-Y339 HydrophobicContact CG-CE2 4.41Å; R337-Y339 WeakPolarHBondContact O-CD2 3.37Å; R337-Y339 PolarHBondContact O-N 2.92Å; R337-L386 HydrophobicContact CB-CD1 3.89Å; R337-N419 PolarHBondContact O-ND2 3.3Å
338V96.8Very high90.7Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-82.5106.6179.3-177.60000109.2C336 L386 I387 C388 L390 Y411 I413 N419 I420 L423C336-V338 PolarHBondContact O-N 3.11Å; V338-L386 WeakPolarHBondContact O-CD1 3.38Å; V338-I387 HydrophobicContact CG1-CB 4.41Å; V338-I387 WeakPolarHBondContact O-CA 3.15Å; V338-I387 VanDerWaalsContact O-CB 3.29Å; V338-I387 WeakPolarHBondContact O-CB 3.3Å; V338-I387 PolarHBondContact O-N 3.47Å; V338-C388 HydrophobicContact CB-CB 4.44Å; V338-C388 PolarHBondContact N-O 3.09Å; V338-C388 PolarHBondContact O-N 3.26Å; V338-L390 HydrophobicContact CG2-CB 4.02Å; V338-Y411 HydrophobicContact CB-CE1 4.26Å; V338-Y411 HydrophobicContact CG1-CE1 4.13Å; V338-Y411 HydrophobicContact CG2-CD1 4.21Å; V338-Y411 HydrophobicContact CG2-CE1 3.89Å; V338-I413 HydrophobicContact CG1-CD1 3.71Å; V338-N419 WeakPolarHBondContact CA-OD1 3.21Å; V338-I420 HydrophobicContact CG1-CD1 4.19Å; V338-I420 HydrophobicContact CG1-CG1 3.92Å; V338-L423 HydrophobicContact CG2-CD1 4.06Å
339Y93.2Very high90.3Very high6 Ų630.9 Ų30.92%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-101.9145.9-178.5-72.5-71.9000111.6Q235 R337 E341 P385 L386 N418 N419Q235-Y339 PolarHBondContact NE2-OH 2.96Å; R337-Y339 HydrophobicContact CB-CD2 4.03Å; R337-Y339 HydrophobicContact CB-CE2 3.43Å; R337-Y339 VanDerWaalsContact CB-CE2 3.43Å; R337-Y339 VanDerWaalsContact CD-OH 3.3Å; R337-Y339 WeakPolarHBondContact CD-OH 3.27Å; R337-Y339 HydrophobicContact CG-CE2 4.41Å; R337-Y339 WeakPolarHBondContact O-CD2 3.37Å; R337-Y339 PolarHBondContact O-N 2.92Å; Y339-E341 VanDerWaalsContact C-N 3.3Å; Y339-E341 PolarHBondContact O-N 2.9Å; Y339-P385 CarbonylContact C-O 3.55Å; Y339-P385 WeakPolarHBondContact CA-O 3.48Å; Y339-P385 HydrophobicContact CD1-CB 4.23Å; Y339-P385 HydrophobicContact CD1-CG 3.8Å; Y339-P385 HydrophobicContact CE1-CG 4.49Å; Y339-L386 HydrophobicContact CD1-CB 3.96Å; Y339-L386 HydrophobicContact CD1-CD1 4.05Å; Y339-L386 HydrophobicContact CE1-CB 3.66Å; Y339-L386 HydrophobicContact CE1-CD1 3.84Å; Y339-L386 HydrophobicContact CE1-CG 4.22Å; Y339-N418 WeakPolarHBondContact O-CA 3.45Å; Y339-N418 WeakPolarHBondContact O-CB 3.5Å; Y339-N419 PolarHBondContact N-OD1 3.08Å; Y339-N419 PolarHBondContact O-N 2.88Å; Y339-N419 PolarHBondContact O-OD1 3.04Å
340A90.2Very high89.5Confident0 Ų028.1 Ų28.10%014%0.137CC..SBendtrans-76.282.7164.700000109.1S351 I379 P385 I387 V416 T417A340-S351 WeakPolarHBondContact CB-O 3.11Å; A340-S351 PolarHBondContact O-N 3.25Å; A340-I379 HydrophobicContact CB-CB 4.41Å; A340-I379 HydrophobicContact CB-CG1 4.17Å; A340-I379 HydrophobicContact CB-CG2 3.79Å; A340-P385 HydrophobicContact CB-CB 4.02Å; A340-P385 PolarHBondContact N-O 3.31Å; A340-P385 WeakPolarHBondContact O-CB 3.26Å; A340-I387 HydrophobicContact CB-CD1 3.79Å; A340-I387 HydrophobicContact CB-CG1 3.87Å; A340-V416 HydrophobicContact CB-CG2 4.15Å; A340-T417 CarbonylContact C-O 3.56Å; A340-T417 WeakPolarHBondContact CA-O 3.19Å
341E88.4Confident88.8Confident5 Ų522.6 Ų22.62%0.02312%0.119CC..EExtended strand (participates in β ladder)trans-151.9162.5-178.367.9-174-162.500111.2R232 Y339 P343 L349 T417 N418 N419R232-E341 IonicContact CZ-OE1 3.71Å; R232-E341 IonicContact CZ-OE2 2.74Å; R232-E341 IonicContact NH1-OE2 2.73Å; R232-E341 VanDerWaalsContact NH2-CD 3.3Å; R232-E341 IonicContact NH2-OE1 2.82Å; R232-E341 PolarHBondContact NH2-OE1 3.33Å; R232-E341 IonicContact NH2-OE2 3.2Å; R232-E341 PolarHBondContact NH2-OE2 3.11Å; Y339-E341 VanDerWaalsContact C-N 3.3Å; Y339-E341 PolarHBondContact O-N 2.9Å; E341-P343 WeakPolarHBondContact O-CD 3.38Å; E341-L349 CarbonylContact C-O 3.13Å; E341-L349 WeakPolarHBondContact CA-O 3.43Å; E341-L349 WeakPolarHBondContact CB-O 3.42Å; E341-T417 PolarHBondContact N-O 3.2Å; E341-T417 CarbonylContact O-C 3.57Å; E341-T417 VanDerWaalsContact O-C 3.24Å; E341-N418 CarbonylContact O-C 3.54Å; E341-N418 WeakPolarHBondContact O-CA 3.2Å; E341-N418 PolarHBondContact O-N 3.29Å; E341-N419 HydrophobicContact CG-CB 3.66Å; E341-N419 PolarHBondContact O-N 3.12Å; E341-N419 WeakPolarHBondContact OE1-CB 3.45Å; E341-N419 PolarHBondContact OE1-ND2 3.12Å
342D88.9Confident87.9Confident21 Ų2123.4 Ų23.411%0.11212%0.12CC..EExtended strand (participates in β ladder)trans-103.7103.1178.2-170.4-13.2000110Y344 K345 G348 L349D342-Y344 PolarHBondContact O-N 2.89Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.13Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-Y344 PolarHBondContact OD1-N 2.7Å; D342-K345 HydrophobicContact CB-CB 4.31Å; D342-K345 PolarHBondContact O-N 3.1Å; D342-K345 VanDerWaalsContact O-O 3.06Å; D342-K345 VanDerWaalsContact OD2-CD 3.24Å; D342-K345 WeakPolarHBondContact OD2-CD 3.34Å; D342-K345 VanDerWaalsContact OD2-CE 3.31Å; D342-K345 WeakPolarHBondContact OD2-CE 3.43Å; D342-K345 WeakPolarHBondContact OD2-CG 3.44Å; D342-K345 IonicContact OD2-NZ 3.62Å; D342-G348 WeakPolarHBondContact O-CA 3.45Å; D342-G348 PolarHBondContact O-N 3.22Å; D342-G348 VanDerWaalsContact O-N 3.09Å; D342-L349 PolarHBondContact N-O 3.09Å; D342-L349 PolarHBondContact O-N 3.18Å
343P90Very high87.1Confident2 Ų222.2 Ų22.21%0.01312%0.122CC..THydrogen-bonded Turntrans-65.9-22.3-179.428.1-34.6000112.4E341 K345 N418 P421 L422 F450E341-P343 WeakPolarHBondContact O-CD 3.38Å; P343-K345 VanDerWaalsContact C-N 3.29Å; P343-K345 PolarHBondContact O-N 3.43Å; P343-N418 VanDerWaalsContact CD-O 3.31Å; P343-N418 WeakPolarHBondContact CD-O 3.29Å; P343-P421 HydrophobicContact CG-CB 4.33Å; P343-P421 HydrophobicContact CG-CG 4.35Å; P343-L422 HydrophobicContact CB-CB 3.88Å; P343-L422 HydrophobicContact CB-CD2 4.44Å; P343-L422 HydrophobicContact CG-CB 4.49Å; P343-F450 HydrophobicContact CB-CB 4.4Å; P343-F450 HydrophobicContact CB-CD1 3.91Å; P343-F450 HydrophobicContact CB-CG 4.41Å; P343-F450 HydrophobicContact CG-CD1 4.07Å; P343-F450 HydrophobicContact CG-CE1 4.42Å
344Y87.8Confident86.4Confident89 Ų8930.3 Ų30.335%0.34915%0.152SC..THydrogen-bonded Turntrans-76.8-15.5179.8-56.8-88.4000113D342 P421 F450 C577D342-Y344 PolarHBondContact O-N 2.89Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.13Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; D342-Y344 PolarHBondContact OD1-N 2.7Å; Y344-P421 HydrophobicContact CE2-CB 4.25Å; Y344-P421 HydrophobicContact CE2-CG 4.08Å; Y344-F450 HydrophobicContact CD1-CD1 4.04Å; Y344-F450 HydrophobicContact CD1-CE1 4.33Å; Y344-F450 AromaticContact CE1-CD1 3.86Å; Y344-F450 HydrophobicContact CE1-CD1 3.86Å; Y344-F450 AromaticContact CE1-CE1 3.68Å; Y344-F450 HydrophobicContact CE1-CE1 3.68Å; Y344-F450 HydrophobicContact CE2-CE1 4.27Å; Y344-F450 HydrophobicContact CG-CD1 4.46Å; Y344-F450 AromaticContact CZ-CE1 3.64Å; Y344-C577 PolarHBondContact OH-SG 2.88Å; Y344-C577 VanDerWaalsContact OH-SG 3.33Å
345K80.5Confident85.7Confident116 Ų11630.3 Ų30.350%0.50415%0.152SC..SBendtrans-118.6121.6-177.7-66.5-177.1-171.6169.60111D342 P343 F347 G348 L349D342-K345 HydrophobicContact CB-CB 4.31Å; D342-K345 PolarHBondContact O-N 3.1Å; D342-K345 VanDerWaalsContact O-O 3.06Å; D342-K345 VanDerWaalsContact OD2-CD 3.24Å; D342-K345 WeakPolarHBondContact OD2-CD 3.34Å; D342-K345 VanDerWaalsContact OD2-CE 3.31Å; D342-K345 WeakPolarHBondContact OD2-CE 3.43Å; D342-K345 WeakPolarHBondContact OD2-CG 3.44Å; D342-K345 IonicContact OD2-NZ 3.62Å; P343-K345 VanDerWaalsContact C-N 3.29Å; P343-K345 PolarHBondContact O-N 3.43Å; K345-F347 PolarHBondContact O-N 3.08Å; K345-G348 PolarHBondContact O-N 2.92Å; K345-G348 VanDerWaalsContact O-N 3.08Å; K345-L349 HydrophobicContact CB-CB 4.03Å; K345-L349 HydrophobicContact CB-CD2 4.21Å; K345-L349 HydrophobicContact CD-CD2 4.33Å; K345-L349 WeakPolarHBondContact O-CB 3.38Å; K345-L349 PolarHBondContact O-N 2.99Å
346S69.5Low85.2Confident93 Ų9333.9 Ų33.965%0.6518%0.177SC*.THydrogen-bonded Turntrans49.327.5179.7-53.90000113.4
347F76.3Confident84.7Confident26 Ų2638.9 Ų38.911%0.11420%0.196CC..THydrogen-bonded Turntrans54.451.7-176.9-154-117.8000113.4R232 K345 L422 L442 Y446 F450R232-F347 WeakPolarHBondContact CD-O 3.31Å; R232-F347 HydrophobicContact CG-CD1 4.2Å; R232-F347 PolarHBondContact NH1-O 3.46Å; K345-F347 PolarHBondContact O-N 3.08Å; F347-L422 HydrophobicContact CE2-CD1 4.37Å; F347-L422 HydrophobicContact CE2-CD2 4.45Å; F347-L422 HydrophobicContact CZ-CD1 4.32Å; F347-L422 HydrophobicContact CZ-CD2 4.22Å; F347-L442 HydrophobicContact CE1-CB 3.82Å; F347-L442 HydrophobicContact CE1-CD1 4.1Å; F347-L442 HydrophobicContact CE1-CG 4.43Å; F347-L442 HydrophobicContact CZ-CB 4.06Å; F347-L442 HydrophobicContact CZ-CD2 4.46Å; F347-Y446 HydrophobicContact CE2-CD2 4.36Å; F347-Y446 HydrophobicContact CE2-CG 4.12Å; F347-Y446 HydrophobicContact CZ-CD2 4.04Å; F347-Y446 HydrophobicContact CZ-CG 4.22Å; F347-F450 HydrophobicContact CD2-CB 4.08Å; F347-F450 HydrophobicContact CE2-CB 3.83Å
348G74.2Confident84.5Confident3 Ų340 Ų403%0.03120%0.2CC..THydrogen-bonded Turntrans108.753.8175.200000113.6R232 D342 K345R232-G348 PolarHBondContact NH1-O 2.81Å; D342-G348 WeakPolarHBondContact O-CA 3.45Å; D342-G348 PolarHBondContact O-N 3.22Å; D342-G348 VanDerWaalsContact O-N 3.09Å; K345-G348 PolarHBondContact O-N 2.92Å; K345-G348 VanDerWaalsContact O-N 3.08Å
349L81.3Confident84.4Confident15 Ų1542.9 Ų42.98%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-63.5129.6170.2-174.269.3000110E341 D342 K345 P610 M611E341-L349 CarbonylContact C-O 3.13Å; E341-L349 WeakPolarHBondContact CA-O 3.43Å; E341-L349 WeakPolarHBondContact CB-O 3.42Å; D342-L349 PolarHBondContact N-O 3.09Å; D342-L349 PolarHBondContact O-N 3.18Å; K345-L349 HydrophobicContact CB-CB 4.03Å; K345-L349 HydrophobicContact CB-CD2 4.21Å; K345-L349 HydrophobicContact CD-CD2 4.33Å; K345-L349 WeakPolarHBondContact O-CB 3.38Å; K345-L349 PolarHBondContact O-N 2.99Å; L349-P610 HydrophobicContact CD2-CB 4.27Å; L349-P610 WeakPolarHBondContact CD2-O 3.35Å; L349-M611 HydrophobicContact CD1-CB 4.3Å; L349-M611 HydrophobicContact CD1-CG 4.43Å; L349-M611 HydrophobicContact CD1-SD 3.81Å; L349-M611 HydrophobicContact CD2-CB 4.36Å; L349-M611 HydrophobicContact CG-CB 4.29Å
350P79Confident84.4Confident14 Ų1444.3 Ų44.39%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-63.8146.5-176.6-18.929.3000113.9M611 M638 M640P350-M611 HydrophobicContact CG-SD 4.47Å; P350-M638 HydrophobicContact CB-CG 4.22Å; P350-M638 HydrophobicContact CB-SD 3.21Å; P350-M638 WeakPolarHBondContact CB-SD 3.36Å; P350-M638 HydrophobicContact CG-SD 4.12Å; P350-M640 HydrophobicContact CG-CE 3.9Å
351S81.8Confident84.6Confident19 Ų1944.4 Ų44.413%0.13323%0.228CC..  trans-124.4120.8-179.6170.60000110.3A340 T417A340-S351 WeakPolarHBondContact CB-O 3.11Å; A340-S351 PolarHBondContact O-N 3.25Å; S351-T417 WeakPolarHBondContact CB-OG1 3.49Å; S351-T417 PolarHBondContact OG-N 3.38Å; S351-T417 VanDerWaalsContact OG-N 3.08Å; S351-T417 PolarHBondContact OG-OG1 3.14Å
352V78Confident84.6Confident37 Ų3748.2 Ų48.222%0.22425%0.249CC..  trans-110.1154.6178.7-63.50000111.2I379 I381 P612 M638V352-I379 WeakPolarHBondContact CB-O 3.44Å; V352-I381 HydrophobicContact CB-CG2 4.37Å; V352-I381 HydrophobicContact CG1-CG2 3.78Å; V352-I381 HydrophobicContact CG2-CG2 4.17Å; V352-P612 HydrophobicContact CG2-CB 3.63Å; V352-P612 HydrophobicContact CG2-CG 3.63Å; V352-M638 HydrophobicContact CG1-CE 4.33Å; V352-M638 HydrophobicContact CG1-SD 3.89Å
353G81.6Confident84.6Confident20 Ų2055.5 Ų55.521%0.20627%0.274CS..EExtended strand (participates in β ladder)trans146.8-177.2179.700000113.2I379G353-I379 PolarHBondContact N-O 2.73Å; G353-I379 PolarHBondContact O-N 2.85Å
354R84.6Confident84.7Confident170 Ų17056.3 Ų56.364%0.64228%0.278SS*.EExtended strand (participates in β ladder)trans-87.9137.5-179.7-170.1177.5-177.7-130.6-0.5111.1S356 G376 S377 G415R354-S356 PolarHBondContact O-N 3.37Å; R354-S356 VanDerWaalsContact O-N 3.17Å; R354-G376 WeakPolarHBondContact CG-O 3.5Å; R354-G376 PolarHBondContact NE-O 3.28Å; R354-S377 WeakPolarHBondContact CA-O 3.49Å; R354-G415 WeakPolarHBondContact O-CA 3.38Å
355L83.6Confident84.9Confident0 Ų056.2 Ų56.20%029%0.289CS..  trans-74.8100.6173.1-59.9174.5000109.7R357 Y358 I373 G376 S377 I379 I413 R414 V416L355-R357 VanDerWaalsContact C-N 3.34Å; L355-Y358 HydrophobicContact CD1-CD2 4.34Å; L355-I373 HydrophobicContact CD1-CB 4.27Å; L355-I373 HydrophobicContact CD1-CD1 3.34Å; L355-I373 HydrophobicContact CD1-CG1 4.36Å; L355-G376 WeakPolarHBondContact O-CA 3.44Å; L355-G376 PolarHBondContact O-N 3.26Å; L355-S377 PolarHBondContact N-O 3.13Å; L355-I379 HydrophobicContact CD1-CD1 4.41Å; L355-I379 HydrophobicContact CD2-CG1 4.3Å; L355-I379 HydrophobicContact CG-CG1 4.47Å; L355-I413 HydrophobicContact CD2-CG2 4.1Å; L355-R414 CarbonylContact C-O 3.24Å; L355-R414 WeakPolarHBondContact CA-O 3.29Å; L355-V416 HydrophobicContact CD2-CG1 4.41Å; L355-V416 HydrophobicContact CD2-CG2 3.6Å
356S87.5Confident85.5Confident75 Ų7552.5 Ų52.552%0.52428%0.284SS..SBendtrans-77.3-22.7-178.470.20000113.1R354 R414 G415R354-S356 PolarHBondContact O-N 3.37Å; R354-S356 VanDerWaalsContact O-N 3.17Å; S356-R414 PolarHBondContact N-O 3.24Å; S356-R414 VanDerWaalsContact OG-CB 3.29Å; S356-R414 WeakPolarHBondContact OG-CB 3.46Å; S356-G415 PolarHBondContact OG-N 2.91Å
357R89.7Confident86.7Confident105 Ų10549.1 Ų49.140%0.39626%0.26SS..EExtended strand (participates in β ladder)trans-150.9133.6171-156.1166.1-176.2167.2-4.4109.5L355 E375 V412 I413 R414 S544L355-R357 VanDerWaalsContact C-N 3.34Å; R357-E375 VanDerWaalsContact CA-OE2 3.23Å; R357-E375 WeakPolarHBondContact CA-OE2 3.5Å; R357-E375 VanDerWaalsContact CG-OE2 3.28Å; R357-E375 WeakPolarHBondContact CG-OE2 2.78Å; R357-V412 HydrophobicContact CG-CG1 4.32Å; R357-I413 CarbonylContact O-C 3.56Å; R357-R414 HydrophobicContact CB-CB 3.78Å; R357-R414 HydrophobicContact CB-CG 3.77Å; R357-R414 PolarHBondContact O-N 3.11Å; R357-S544 PolarHBondContact NH2-O 3.24Å
358Y92.1Very high87.6Confident23 Ų2351.1 Ų51.19%0.0927%0.266CS..EExtended strand (participates in β ladder)trans-145.8117.8-177.3178.9-100.2000110.5L355 E360 S371 I373 E375 I387 Y411 V412 I413L355-Y358 HydrophobicContact CD1-CD2 4.34Å; Y358-E360 HydrophobicContact CE1-CG 3.65Å; Y358-E360 VanDerWaalsContact OH-CG 3.27Å; Y358-E360 WeakPolarHBondContact OH-CG 3.5Å; Y358-E360 PolarHBondContact OH-OE1 3.45Å; Y358-S371 WeakPolarHBondContact OH-CB 3.42Å; Y358-I373 HydrophobicContact CD1-CD1 4.46Å; Y358-I373 HydrophobicContact CD2-CD1 3.87Å; Y358-I373 HydrophobicContact CE1-CD1 4.07Å; Y358-I373 HydrophobicContact CE2-CD1 3.41Å; Y358-I373 VanDerWaalsContact CE2-CD1 3.41Å; Y358-I373 HydrophobicContact CG-CD1 4.37Å; Y358-E375 PolarHBondContact N-OE2 2.86Å; Y358-I387 HydrophobicContact CE2-CG2 3.8Å; Y358-Y411 HydrophobicContact CD2-CE2 4.26Å; Y358-Y411 AromaticContact CE2-CE2 3.6Å; Y358-Y411 HydrophobicContact CE2-CE2 3.6Å; Y358-Y411 AromaticContact CE2-CZ 3.85Å; Y358-Y411 VanDerWaalsContact CE2-OH 3.3Å; Y358-Y411 WeakPolarHBondContact CE2-OH 3.49Å; Y358-Y411 PolarHBondContact OH-OH 3.21Å; Y358-V412 CarbonylContact C-O 3.45Å; Y358-V412 VanDerWaalsContact CA-O 3.3Å; Y358-V412 WeakPolarHBondContact CA-O 3.04Å; Y358-I413 HydrophobicContact CD2-CG1 4.26Å
359S93.9Very high88.6Confident62 Ų6251.1 Ų51.143%0.43427%0.266SS..EExtended strand (participates in β ladder)trans-140.9115.9177.2-171.40000110.2Y411 V412S359-Y411 VanDerWaalsContact O-CD2 3.26Å; S359-Y411 WeakPolarHBondContact O-CD2 3.48Å; S359-V412 PolarHBondContact N-O 3.43Å; S359-V412 PolarHBondContact O-N 3.1Å; S359-V412 VanDerWaalsContact O-N 3.08Å
360E94.2Very high88.9Confident36 Ų3650.4 Ų50.417%0.16826%0.262CS..  trans-71.9143.6178.3-67.3177.1172.900111.6Y358 L362 C369 S371 Y411Y358-E360 HydrophobicContact CE1-CG 3.65Å; Y358-E360 VanDerWaalsContact OH-CG 3.27Å; Y358-E360 WeakPolarHBondContact OH-CG 3.5Å; Y358-E360 PolarHBondContact OH-OE1 3.45Å; E360-L362 HydrophobicContact CB-CD1 4.34Å; E360-L362 HydrophobicContact CB-CD2 4.22Å; E360-L362 HydrophobicContact CB-CG 3.82Å; E360-L362 PolarHBondContact O-N 3Å; E360-C369 HydrophobicContact CB-CB 4.26Å; E360-C369 HydrophobicContact CG-CB 3.96Å; E360-C369 WeakPolarHBondContact OE2-CB 3.41Å; E360-S371 WeakPolarHBondContact OE1-CB 3.43Å; E360-S371 PolarHBondContact OE1-OG 3.22Å; E360-Y411 HydrophobicContact CG-CE2 4.18Å
361P94.3Very high89.2Confident2 Ų250.2 Ų50.21%0.01326%0.261CS..  trans-78.541.6-176.535-39.5000113.4R363 I364 S367 L390 A407 E410 Y411P361-R363 PolarHBondContact O-N 2.81Å; P361-I364 HydrophobicContact CB-CG1 4.4Å; P361-I364 PolarHBondContact O-N 3.09Å; P361-S367 PolarHBondContact O-OG 3.42Å; P361-S367 VanDerWaalsContact O-OG 3.1Å; P361-L390 HydrophobicContact CG-CD1 3.71Å; P361-L390 HydrophobicContact CG-CD2 4.37Å; P361-A407 HydrophobicContact CB-CB 4.02Å; P361-A407 WeakPolarHBondContact CB-O 3.38Å; P361-A407 HydrophobicContact CG-CB 3.86Å; P361-A407 WeakPolarHBondContact CG-O 3.49Å; P361-E410 HydrophobicContact CB-CB 3.89Å; P361-Y411 HydrophobicContact CG-CG 4.3Å
362L88.6Confident88.9Confident85 Ų8549.5 Ų49.545%0.44526%0.257SS..THydrogen-bonded Turntrans-65.3-9.8-173-59.7-179.8000114.4E360 I364 C369E360-L362 HydrophobicContact CB-CD1 4.34Å; E360-L362 HydrophobicContact CB-CD2 4.22Å; E360-L362 HydrophobicContact CB-CG 3.82Å; E360-L362 PolarHBondContact O-N 3Å; L362-I364 VanDerWaalsContact C-N 3.29Å; L362-C369 HydrophobicContact CD2-CB 4.19Å
363R87.8Confident89Confident173 Ų17348.4 Ų48.465%0.65325%0.249SC*.THydrogen-bonded Turntrans-74.4-20.8173.9-67.5-173.6-62.9-142.4-2.1112.7P361 P365 E410P361-R363 PolarHBondContact O-N 2.81Å; R363-P365 WeakPolarHBondContact O-CD 3.36Å; R363-E410 IonicContact CZ-OE2 2.9Å; R363-E410 IonicContact NE-OE2 3.82Å; R363-E410 PolarHBondContact NE-OE2 2.84Å; R363-E410 IonicContact NH2-OE2 3.79Å; R363-E410 PolarHBondContact NH2-OE2 2.86Å
364I92.2Very high89.1Confident19 Ų1951.2 Ų51.210%0.09726%0.255CS..SBendtrans-73.9122.2178.4-57.7-55.4000109.2P361 L362 G366 S367 R403 D406 A407 E410P361-I364 HydrophobicContact CB-CG1 4.4Å; P361-I364 PolarHBondContact O-N 3.09Å; L362-I364 VanDerWaalsContact C-N 3.29Å; I364-G366 PolarHBondContact O-N 3.47Å; I364-S367 VanDerWaalsContact O-CB 3.24Å; I364-S367 WeakPolarHBondContact O-CB 3.23Å; I364-S367 PolarHBondContact O-N 3.17Å; I364-S367 PolarHBondContact O-OG 2.98Å; I364-R403 HydrophobicContact CG2-CB 4.15Å; I364-R403 HydrophobicContact CG2-CG 4.35Å; I364-D406 HydrophobicContact CD1-CB 4.04Å; I364-A407 HydrophobicContact CB-CB 4.35Å; I364-A407 HydrophobicContact CG1-CB 4.17Å; I364-A407 HydrophobicContact CG2-CB 4.39Å; I364-E410 HydrophobicContact CD1-CG 4.26Å
365P92.4Very high89.2Confident88 Ų8848.1 Ų48.157%0.57125%0.247SC*.THydrogen-bonded Turntrans-58.6132-178.3-26.735.5000112.8R363 S367 R403R363-P365 WeakPolarHBondContact O-CD 3.36Å; P365-S367 PolarHBondContact O-N 2.87Å; P365-R403 WeakPolarHBondContact O-CD 3.43Å; P365-R403 PolarHBondContact O-NE 2.87Å; P365-R403 PolarHBondContact O-NH1 3.42Å
366G92.8Very high89.2Confident38 Ų3848.9 Ų48.939%0.39226%0.256SS..THydrogen-bonded Turntrans73.810.2-17800000114.4I364 T392 H393I364-G366 PolarHBondContact O-N 3.47Å; G366-T392 WeakPolarHBondContact O-CA 3.27Å; G366-H393 PolarHBondContact O-N 3.44Å
367S95.6Very high88.9Confident21 Ų2146 Ų4615%0.14724%0.236CC..EExtended strand (participates in β ladder)trans-77.3145.2167.266.90000111.4P361 I364 P365 V391P361-S367 PolarHBondContact O-OG 3.42Å; P361-S367 VanDerWaalsContact O-OG 3.1Å; I364-S367 VanDerWaalsContact O-CB 3.24Å; I364-S367 WeakPolarHBondContact O-CB 3.23Å; I364-S367 PolarHBondContact O-N 3.17Å; I364-S367 PolarHBondContact O-OG 2.98Å; P365-S367 PolarHBondContact O-N 2.87Å; S367-V391 CarbonylContact C-O 3.5Å; S367-V391 VanDerWaalsContact CA-O 3.32Å; S367-V391 WeakPolarHBondContact CA-O 3.24Å
368R95Very high88.4Confident68 Ų6847.3 Ų47.326%0.25725%0.246SC..EExtended strand (participates in β ladder)trans-140130.7173165.4-178.7175.7177.3-3.1107.7E300 D370 V391E300-R368 IonicContact OE2-CZ 3.27Å; E300-R368 VanDerWaalsContact OE2-CZ 3.27Å; E300-R368 IonicContact OE2-NH1 2.79Å; E300-R368 PolarHBondContact OE2-NH1 3.3Å; E300-R368 IonicContact OE2-NH2 3.57Å; E300-R368 PolarHBondContact OE2-NH2 3.31Å; R368-D370 IonicContact CZ-OD1 3.07Å; R368-D370 IonicContact CZ-OD2 3.5Å; R368-D370 IonicContact NE-OD1 3.46Å; R368-D370 PolarHBondContact NE-OD1 2.83Å; R368-D370 IonicContact NE-OD2 2.81Å; R368-D370 IonicContact NH2-OD1 3.41Å; R368-D370 PolarHBondContact NH2-OD1 2.91Å; R368-D370 IonicContact NH2-OD2 2.77Å; R368-D370 PolarHBondContact NH2-OD2 3.34Å; R368-V391 HydrophobicContact CB-CB 4.17Å; R368-V391 PolarHBondContact N-O 3.47Å; R368-V391 PolarHBondContact O-N 3.13Å
369C93.9Very high87.9Confident3 Ų346.6 Ų46.62%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-110.6116.4169.7-71.60000108E360 L362 C388 L390E360-C369 HydrophobicContact CB-CB 4.26Å; E360-C369 HydrophobicContact CG-CB 3.96Å; E360-C369 WeakPolarHBondContact OE2-CB 3.41Å; L362-C369 HydrophobicContact CD2-CB 4.19Å; C369-C388 VanDerWaalsContact CB-SG 3.56Å; C369-L390 VanDerWaalsContact SG-CD1 3.6Å
370D89.5Confident86.9Confident1 Ų145 Ų451%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-94.9112.3161.5-77.819.9000105W5 P7 R368 C388 K389W5-D370 WeakPolarHBondContact O-CB 3.3Å; P7-D370 WeakPolarHBondContact CG-O 3.31Å; R368-D370 IonicContact CZ-OD1 3.07Å; R368-D370 IonicContact CZ-OD2 3.5Å; R368-D370 IonicContact NE-OD1 3.46Å; R368-D370 PolarHBondContact NE-OD1 2.83Å; R368-D370 IonicContact NE-OD2 2.81Å; R368-D370 IonicContact NH2-OD1 3.41Å; R368-D370 PolarHBondContact NH2-OD1 2.91Å; R368-D370 IonicContact NH2-OD2 2.77Å; R368-D370 PolarHBondContact NH2-OD2 3.34Å; D370-C388 WeakPolarHBondContact O-CA 3.19Å; D370-C388 PolarHBondContact O-SG 3.31Å; D370-C388 VanDerWaalsContact O-SG 3.36Å; D370-K389 HydrophobicContact CB-CB 4.19Å; D370-K389 HydrophobicContact CB-CD 4.18Å; D370-K389 HydrophobicContact CB-CG 4.38Å; D370-K389 PolarHBondContact N-O 3.25Å; D370-K389 VanDerWaalsContact N-O 3.11Å; D370-K389 PolarHBondContact O-N 3.14Å
371S84.7Confident85.9Confident10 Ų1044.3 Ų44.37%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-138.6154.4-174.272.80000110.7P7 Y358 E360P7-S371 VanDerWaalsContact CG-CA 3.48Å; Y358-S371 WeakPolarHBondContact OH-CB 3.42Å; E360-S371 WeakPolarHBondContact OE1-CB 3.43Å; E360-S371 PolarHBondContact OE1-OG 3.22Å
372G74.9Confident84.8Confident4 Ų447.5 Ų47.54%0.04124%0.242CC..SBendtrans-116.26.5-172.300000113.8C6C6-G372 WeakPolarHBondContact SG-CA 3.1Å
373I79.9Confident84.2Confident13 Ų1344.2 Ų44.27%0.06722%0.224CC..  trans-146.8155.8-156.452.2114.2000107.9L355 Y358 I379 I387L355-I373 HydrophobicContact CD1-CB 4.27Å; L355-I373 HydrophobicContact CD1-CD1 3.34Å; L355-I373 HydrophobicContact CD1-CG1 4.36Å; Y358-I373 HydrophobicContact CD1-CD1 4.46Å; Y358-I373 HydrophobicContact CD2-CD1 3.87Å; Y358-I373 HydrophobicContact CE1-CD1 4.07Å; Y358-I373 HydrophobicContact CE2-CD1 3.41Å; Y358-I373 VanDerWaalsContact CE2-CD1 3.41Å; Y358-I373 HydrophobicContact CG-CD1 4.37Å; I373-I379 HydrophobicContact CG2-CD1 4.41Å; I373-I387 HydrophobicContact CD1-CG2 3.43Å; I373-I387 VanDerWaalsContact CD1-CG2 3.43Å; I373-I387 HydrophobicContact CG1-CG2 4.28Å; I373-I387 WeakPolarHBondContact CG1-O 3.36Å
374Y83.7Confident83.7Confident80 Ų8037 Ų3731%0.31420%0.198SC..  trans-138.1178.1175.655.7-94.6000109.6E37 L39 Q42 G376 S377E37-Y374 WeakPolarHBondContact O-CE1 3.18Å; E37-Y374 PolarHBondContact O-OH 2.71Å; L39-Y374 HydrophobicContact CB-CD1 4.49Å; Q42-Y374 PolarHBondContact NE2-OH 3.13Å; Y374-G376 PolarHBondContact O-N 3.33Å; Y374-S377 PolarHBondContact N-OG 3.2Å; Y374-S377 WeakPolarHBondContact O-CB 3.42Å; Y374-S377 PolarHBondContact O-N 3.05Å; Y374-S377 PolarHBondContact O-OG 3.11Å; Y374-S377 VanDerWaalsContact O-OG 3.07Å
375E86.1Confident83.1Confident104 Ų10436.7 Ų36.749%0.48620%0.197SC..THydrogen-bonded Turntrans-58123.1177.3-173.7167.5111.500111R357 Y358R357-E375 VanDerWaalsContact CA-OE2 3.23Å; R357-E375 WeakPolarHBondContact CA-OE2 3.5Å; R357-E375 VanDerWaalsContact CG-OE2 3.28Å; R357-E375 WeakPolarHBondContact CG-OE2 2.78Å; Y358-E375 PolarHBondContact N-OE2 2.86Å
376G84.1Confident83Confident17 Ų1732.5 Ų32.518%0.17517%0.17CC..THydrogen-bonded Turntrans97.5-8.4-175.600000115.3R354 L355 Y374R354-G376 WeakPolarHBondContact CG-O 3.5Å; R354-G376 PolarHBondContact NE-O 3.28Å; L355-G376 WeakPolarHBondContact O-CA 3.44Å; L355-G376 PolarHBondContact O-N 3.26Å; Y374-G376 PolarHBondContact O-N 3.33Å
377S82Confident82.9Confident15 Ų1530.7 Ų30.711%0.10515%0.152CC..  trans-64.2155.4172.9-60.40000112.4R354 L355 Y374R354-S377 WeakPolarHBondContact CA-O 3.49Å; L355-S377 PolarHBondContact N-O 3.13Å; Y374-S377 PolarHBondContact N-OG 3.2Å; Y374-S377 WeakPolarHBondContact O-CB 3.42Å; Y374-S377 PolarHBondContact O-N 3.05Å; Y374-S377 PolarHBondContact O-OG 3.11Å; Y374-S377 VanDerWaalsContact O-OG 3.07Å
378E78.7Confident82.8Confident131 Ų13129.7 Ų29.761%0.61215%0.145SC*.EExtended strand (participates in β ladder)trans-104.1128177.2-170.9177.6165.700111.6S380E378-S380 PolarHBondContact O-N 3.36Å
379I80.5Confident82.8Confident9 Ų926.5 Ų26.55%0.04613%0.132CC..EExtended strand (participates in β ladder)trans-83.8108.1167.9-53.3-57.4000108.3A340 V352 G353 L355 I373 I387 V416 M638A340-I379 HydrophobicContact CB-CB 4.41Å; A340-I379 HydrophobicContact CB-CG1 4.17Å; A340-I379 HydrophobicContact CB-CG2 3.79Å; V352-I379 WeakPolarHBondContact CB-O 3.44Å; G353-I379 PolarHBondContact N-O 2.73Å; G353-I379 PolarHBondContact O-N 2.85Å; L355-I379 HydrophobicContact CD1-CD1 4.41Å; L355-I379 HydrophobicContact CD2-CG1 4.3Å; L355-I379 HydrophobicContact CG-CG1 4.47Å; I373-I379 HydrophobicContact CG2-CD1 4.41Å; I379-I387 HydrophobicContact CD1-CG1 4.25Å; I379-V416 HydrophobicContact CG1-CG1 4.36Å; I379-M638 HydrophobicContact CG2-CE 4.37Å
380S74.8Confident83Confident28 Ų2826.3 Ų26.320%0.19613%0.131CC..  trans-87161.1-175.686.40000113.3E378 Y382 M638E378-S380 PolarHBondContact O-N 3.36Å; S380-Y382 VanDerWaalsContact C-N 3.27Å; S380-Y382 PolarHBondContact O-N 3.33Å; S380-Y382 PolarHBondContact OG-N 2.74Å; S380-M638 WeakPolarHBondContact O-CE 3.01Å
381I72.7Confident83.4Confident22 Ų2226.4 Ų26.411%0.11313%0.132CC..THydrogen-bonded Turntrans-73.6-13.4173.759.9170.3000114.3V352 M614 M638V352-I381 HydrophobicContact CB-CG2 4.37Å; V352-I381 HydrophobicContact CG1-CG2 3.78Å; V352-I381 HydrophobicContact CG2-CG2 4.17Å; I381-M614 HydrophobicContact CD1-CE 4.46Å; I381-M638 PolarHBondContact O-N 2.9Å; I381-M638 VanDerWaalsContact O-N 3.11Å
382Y71.6Confident84.1Confident69 Ų6925.9 Ų25.927%0.27113%0.128SC..THydrogen-bonded Turntrans-85-22-167.7-56.5-65.6000113.3A53 P54 S380 M614A53-Y382 HydrophobicContact CB-CD2 3.49Å; A53-Y382 VanDerWaalsContact CB-CD2 3.49Å; A53-Y382 HydrophobicContact CB-CE2 3.65Å; A53-Y382 HydrophobicContact CB-CG 4.12Å; P54-Y382 HydrophobicContact CG-CD1 4.21Å; P54-Y382 HydrophobicContact CG-CE1 4.04Å; S380-Y382 VanDerWaalsContact C-N 3.27Å; S380-Y382 PolarHBondContact O-N 3.33Å; S380-Y382 PolarHBondContact OG-N 2.74Å; Y382-M614 HydrophobicContact CE1-CE 4.01Å
383Y75Confident85.2Confident16 Ų1628.3 Ų28.36%0.06314%0.138CC..SBendtrans-122.3171.7-174.4-53.3-46.8000110.7Y10 P32 A53 T55 M638Y10-Y383 HydrophobicContact CG-CD1 4.49Å; Y10-Y383 WeakPolarHBondContact O-CD1 3.41Å; Y10-Y383 WeakPolarHBondContact O-CE1 3.2Å; P32-Y383 WeakPolarHBondContact CG-OH 3.32Å; A53-Y383 WeakPolarHBondContact O-CE1 3.33Å; A53-Y383 VanDerWaalsContact O-CZ 3.32Å; A53-Y383 PolarHBondContact O-OH 2.95Å; T55-Y383 HydrophobicContact CG2-CD1 3.86Å; T55-Y383 HydrophobicContact CG2-CE1 3.64Å; Y383-M638 WeakPolarHBondContact O-CE 3.44Å
384D77.1Confident86.1Confident20 Ų2027.7 Ų27.711%0.10714%0.136CC..  trans-63.3146.6174.9-76.4-4.3000110.4R9 Y10 L386R9-D384 HydrophobicContact CB-CB 4.33Å; R9-D384 WeakPolarHBondContact CB-OD2 3.13Å; R9-D384 WeakPolarHBondContact CD-OD2 3.4Å; Y10-D384 HydrophobicContact CD2-CB 4.27Å; Y10-D384 HydrophobicContact CE2-CB 4.49Å; Y10-D384 VanDerWaalsContact CE2-OD2 3.26Å; Y10-D384 WeakPolarHBondContact CE2-OD2 3.3Å; D384-L386 PolarHBondContact O-N 3.44Å
385P81Confident86.7Confident13 Ų1331.2 Ų31.28%0.08415%0.152CC..  trans-72.815.2-176.622.1-23.6000113.7Y339 A340 I387 M638Y339-P385 CarbonylContact C-O 3.55Å; Y339-P385 WeakPolarHBondContact CA-O 3.48Å; Y339-P385 HydrophobicContact CD1-CB 4.23Å; Y339-P385 HydrophobicContact CD1-CG 3.8Å; Y339-P385 HydrophobicContact CE1-CG 4.49Å; A340-P385 HydrophobicContact CB-CB 4.02Å; A340-P385 PolarHBondContact N-O 3.31Å; A340-P385 WeakPolarHBondContact O-CB 3.26Å; P385-I387 PolarHBondContact O-N 3.12Å; P385-I387 VanDerWaalsContact O-N 3.1Å; P385-M638 HydrophobicContact CB-CE 3.36Å; P385-M638 HydrophobicContact CB-SD 4.01Å; P385-M638 HydrophobicContact CG-CE 3.81Å; P385-M638 HydrophobicContact CG-SD 4.16Å; P385-M638 VanDerWaalsContact N-CE 3.33Å
386L88.5Confident87.3Confident1 Ų129.2 Ų29.21%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-69.2112.3-173.1-171.652.2000109.6P7 V294 R337 V338 Y339 D384 C388 K389P7-L386 HydrophobicContact CB-CD2 3.72Å; P7-L386 HydrophobicContact CB-CG 3.69Å; P7-L386 VanDerWaalsContact O-CD2 3.29Å; P7-L386 WeakPolarHBondContact O-CD2 3.36Å; V294-L386 HydrophobicContact CG1-CD2 4.05Å; R337-L386 HydrophobicContact CB-CD1 3.89Å; V338-L386 WeakPolarHBondContact O-CD1 3.38Å; Y339-L386 HydrophobicContact CD1-CB 3.96Å; Y339-L386 HydrophobicContact CD1-CD1 4.05Å; Y339-L386 HydrophobicContact CE1-CB 3.66Å; Y339-L386 HydrophobicContact CE1-CD1 3.84Å; Y339-L386 HydrophobicContact CE1-CG 4.22Å; D384-L386 PolarHBondContact O-N 3.44Å; L386-C388 WeakPolarHBondContact CD1-O 3.5Å; L386-K389 HydrophobicContact CD2-CG 4.46Å
387I91.5Very high87.9Confident0 Ų029.5 Ų29.50%014%0.141CC..EExtended strand (participates in β ladder)trans-79.4-52.5177.2-61.7178.9000108.7V338 A340 Y358 I373 I379 P385 I413 V416 N418V338-I387 HydrophobicContact CG1-CB 4.41Å; V338-I387 WeakPolarHBondContact O-CA 3.15Å; V338-I387 VanDerWaalsContact O-CB 3.29Å; V338-I387 WeakPolarHBondContact O-CB 3.3Å; V338-I387 PolarHBondContact O-N 3.47Å; A340-I387 HydrophobicContact CB-CD1 3.79Å; A340-I387 HydrophobicContact CB-CG1 3.87Å; Y358-I387 HydrophobicContact CE2-CG2 3.8Å; I373-I387 HydrophobicContact CD1-CG2 3.43Å; I373-I387 VanDerWaalsContact CD1-CG2 3.43Å; I373-I387 HydrophobicContact CG1-CG2 4.28Å; I373-I387 WeakPolarHBondContact CG1-O 3.36Å; I379-I387 HydrophobicContact CD1-CG1 4.25Å; P385-I387 PolarHBondContact O-N 3.12Å; P385-I387 VanDerWaalsContact O-N 3.1Å; I387-I413 HydrophobicContact CD1-CD1 3.95Å; I387-I413 HydrophobicContact CD1-CG2 4.24Å; I387-I413 HydrophobicContact CG2-CD1 4.17Å; I387-V416 HydrophobicContact CD1-CG2 4.16Å; I387-N418 HydrophobicContact CD1-CB 4.38Å
388C92.7Very high88.7Confident0 Ų032.5 Ų32.50%015%0.153CC..EExtended strand (participates in β ladder)trans-155.5147.5-171-178.20000111.3V338 C369 D370 L386 Y411V338-C388 HydrophobicContact CB-CB 4.44Å; V338-C388 PolarHBondContact N-O 3.09Å; V338-C388 PolarHBondContact O-N 3.26Å; C369-C388 VanDerWaalsContact CB-SG 3.56Å; D370-C388 WeakPolarHBondContact O-CA 3.19Å; D370-C388 PolarHBondContact O-SG 3.31Å; D370-C388 VanDerWaalsContact O-SG 3.36Å; L386-C388 WeakPolarHBondContact CD1-O 3.5Å; C388-Y411 HydrophobicContact CB-CE1 4.15Å; C388-Y411 WeakPolarHBondContact CB-OH 3.5Å; C388-Y411 PolarHBondContact SG-OH 2.98Å; C388-Y411 VanDerWaalsContact SG-OH 3.33Å
389K95.4Very high89.6Confident0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-92.1103160.1-44.2176.9-163.5-178.10106.7P7 V294 P297 E335 D370 L386P7-K389 HydrophobicContact CB-CG 3.94Å; P7-K389 HydrophobicContact CG-CG 4.02Å; V294-K389 HydrophobicContact CG1-CD 3.87Å; V294-K389 HydrophobicContact CG1-CG 4.25Å; V294-K389 WeakPolarHBondContact O-CD 3.44Å; V294-K389 WeakPolarHBondContact O-CE 3.33Å; V294-K389 PolarHBondContact O-NZ 2.84Å; P297-K389 HydrophobicContact CG-CD 4.36Å; E335-K389 HydrophobicContact CG-CB 4.19Å; D370-K389 HydrophobicContact CB-CB 4.19Å; D370-K389 HydrophobicContact CB-CD 4.18Å; D370-K389 HydrophobicContact CB-CG 4.38Å; D370-K389 PolarHBondContact N-O 3.25Å; D370-K389 VanDerWaalsContact N-O 3.11Å; D370-K389 PolarHBondContact O-N 3.14Å; L386-K389 HydrophobicContact CD2-CG 4.46Å
390L98.2Very high90.4Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-88.2116.3175.8177.461.7000108E335 C336 V338 P361 C369 M404 A407 L408 Y411E335-L390 CarbonylContact C-O 3.55Å; E335-L390 WeakPolarHBondContact CA-O 3.48Å; C336-L390 PolarHBondContact N-O 2.96Å; C336-L390 PolarHBondContact O-N 2.53Å; V338-L390 HydrophobicContact CG2-CB 4.02Å; P361-L390 HydrophobicContact CG-CD1 3.71Å; P361-L390 HydrophobicContact CG-CD2 4.37Å; C369-L390 VanDerWaalsContact SG-CD1 3.6Å; L390-M404 HydrophobicContact CD2-SD 3.74Å; L390-M404 HydrophobicContact CG-CE 4.38Å; L390-M404 HydrophobicContact CG-SD 3.8Å; L390-M404 WeakPolarHBondContact O-CE 3.36Å; L390-A407 HydrophobicContact CD1-CB 4.31Å; L390-A407 HydrophobicContact CD2-CB 4.05Å; L390-L408 HydrophobicContact CD2-CD2 3.7Å; L390-L408 HydrophobicContact CD2-CG 3.94Å; L390-Y411 HydrophobicContact CD2-CD1 4.06Å
391V98.5Very high91.6Very high2 Ų227.2 Ų27.21%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-116.3137.2-176.6-178.50000108.7P297 I298 I334 E335 S367 R368P297-V391 HydrophobicContact CB-CG1 4.44Å; P297-V391 HydrophobicContact CB-CG2 3.64Å; P297-V391 HydrophobicContact CG-CG2 4.34Å; I298-V391 HydrophobicContact CG2-CG1 3.9Å; I334-V391 CarbonylContact O-C 3.58Å; I334-V391 VanDerWaalsContact O-CA 3.28Å; I334-V391 WeakPolarHBondContact O-CA 3.18Å; E335-V391 HydrophobicContact CB-CG2 4.14Å; E335-V391 HydrophobicContact CG-CG2 3.95Å; S367-V391 CarbonylContact C-O 3.5Å; S367-V391 VanDerWaalsContact CA-O 3.32Å; S367-V391 WeakPolarHBondContact CA-O 3.24Å; R368-V391 HydrophobicContact CB-CB 4.17Å; R368-V391 PolarHBondContact N-O 3.47Å; R368-V391 PolarHBondContact O-N 3.13Å
392T98.6Very high92.7Very high0 Ų028.4 Ų28.40%013%0.132CC..EExtended strand (participates in β ladder)trans-130.5136.5171.157.90000111.4A333 I334 G366 A400 R403 M404 A407A333-T392 VanDerWaalsContact CA-O 3.29Å; A333-T392 WeakPolarHBondContact CA-O 3.35Å; I334-T392 PolarHBondContact N-O 2.69Å; I334-T392 PolarHBondContact O-N 2.85Å; G366-T392 WeakPolarHBondContact O-CA 3.27Å; T392-A400 PolarHBondContact OG1-O 3.26Å; T392-A400 VanDerWaalsContact OG1-O 3.1Å; T392-R403 HydrophobicContact CG2-CB 4.16Å; T392-M404 HydrophobicContact CG2-CB 4.2Å; T392-M404 HydrophobicContact CG2-CE 3.97Å; T392-M404 HydrophobicContact CG2-SD 4.12Å; T392-M404 WeakPolarHBondContact OG1-CB 3.4Å; T392-M404 WeakPolarHBondContact OG1-CE 3.47Å; T392-M404 PolarHBondContact OG1-N 3.18Å; T392-A407 HydrophobicContact CG2-CB 4.13Å
393H98.4Very high94Very high54 Ų5427.8 Ų27.825%0.2513%0.129CC..EExtended strand (participates in β ladder)trans-114136.5178.7177.8-107.7000111.2A301 R330 W332 G366 R403A301-H393 HydrophobicContact CB-CB 4.28Å; R330-H393 PolarHBondContact O-NE2 3.42Å; W332-H393 CarbonylContact O-C 3.59Å; W332-H393 WeakPolarHBondContact O-CA 3.24Å; W332-H393 PolarHBondContact O-CD2 3.32Å; G366-H393 PolarHBondContact O-N 3.44Å; H393-R403 VanDerWaalsContact O-CD 3.23Å; H393-R403 WeakPolarHBondContact O-CD 3.39Å; H393-R403 PolarHBondContact O-NH1 2.97Å
394G98.1Very high95.1Very high1 Ų127 Ų271%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-137.4167.2177.100000111.8G331 W332 D396G331-G394 CarbonylContact C-O 3.53Å; G331-G394 VanDerWaalsContact CA-O 3.22Å; G331-G394 WeakPolarHBondContact CA-O 3.22Å; W332-G394 PolarHBondContact N-O 2.92Å; W332-G394 PolarHBondContact O-N 2.82Å; G394-D396 PolarHBondContact O-N 2.93Å
395K97.3Very high96.1Very high153 Ų15329.7 Ų29.767%0.66514%0.135SC*.SBendtrans-66.8-25.3175.273.4-174.9-179.6168.40113G331 Q399G331-K395 WeakPolarHBondContact CA-O 3.22Å; K395-Q399 HydrophobicContact CG-CB 4.44Å
396D97.8Very high96.8Very high62 Ų6231.1 Ų31.133%0.33214%0.142SC..SBendtrans-146.5169.9178.752.844.3000109.3G394 E398 Q399 A400G394-D396 PolarHBondContact O-N 2.93Å; D396-E398 VanDerWaalsContact C-N 3.29Å; D396-E398 PolarHBondContact O-N 3.05Å; D396-E398 PolarHBondContact OD1-N 3.42Å; D396-Q399 PolarHBondContact O-N 3.3Å; D396-Q399 WeakPolarHBondContact OD1-CB 3.19Å; D396-Q399 PolarHBondContact OD1-N 3.35Å; D396-A400 PolarHBondContact O-N 3.23Å
397R97.7Very high97.2Very high24 Ų2431 Ų319%0.09114%0.141CC..Hα-helixtrans-58.2-42.2-178.7-169.3176.5-174-107.1-2.4112.1E240 W332 A400 M401 Y432 R433E240-R397 IonicContact OE1-CZ 3.7Å; E240-R397 IonicContact OE1-NE 2.65Å; E240-R397 PolarHBondContact OE1-NE 2.98Å; E240-R397 IonicContact OE1-NH2 3.54Å; E240-R397 PolarHBondContact OE1-NH2 3.26Å; E240-R397 IonicContact OE2-CZ 2.79Å; E240-R397 IonicContact OE2-NE 3.54Å; E240-R397 PolarHBondContact OE2-NE 3.1Å; E240-R397 IonicContact OE2-NH2 3.62Å; W332-R397 HydrophobicContact CD2-CB 3.56Å; W332-R397 HydrophobicContact CD2-CG 4.03Å; W332-R397 HydrophobicContact CE3-CB 3.87Å; W332-R397 HydrophobicContact CG-CB 3.87Å; W332-R397 HydrophobicContact CG-CG 4.22Å; W332-R397 HydrophobicContact CH2-CB 4.47Å; W332-R397 HydrophobicContact CZ2-CB 4.2Å; W332-R397 HydrophobicContact CZ2-CG 4.12Å; W332-R397 HydrophobicContact CZ3-CB 4.31Å; R397-A400 PolarHBondContact O-N 2.97Å; R397-M401 HydrophobicContact CG-CE 4.24Å; R397-M401 WeakPolarHBondContact O-CG 3.27Å; R397-M401 PolarHBondContact O-N 2.67Å; R397-Y432 PolarHBondContact NH1-O 2.77Å; R397-Y432 PolarHBondContact NH2-O 3.08Å; R397-R433 PolarHBondContact NH1-O 3.26Å
398E97.7Very high97.5Very high77 Ų7731 Ų3136%0.3614%0.141SC..Hα-helixtrans-59.8-49.2179.6-91-64.1152.400112.2D396 A400 M401 N402 R433D396-E398 VanDerWaalsContact C-N 3.29Å; D396-E398 PolarHBondContact O-N 3.05Å; D396-E398 PolarHBondContact OD1-N 3.42Å; E398-A400 VanDerWaalsContact C-N 3.33Å; E398-A400 PolarHBondContact O-N 3.37Å; E398-M401 HydrophobicContact CG-CE 4.25Å; E398-M401 PolarHBondContact O-N 3.33Å; E398-M401 VanDerWaalsContact OE1-CE 3.3Å; E398-M401 WeakPolarHBondContact OE1-CE 3.31Å; E398-N402 WeakPolarHBondContact O-CB 3.48Å; E398-N402 VanDerWaalsContact O-CG 3.22Å; E398-N402 PolarHBondContact O-N 3Å; E398-N402 PolarHBondContact O-ND2 3.46Å; E398-N402 VanDerWaalsContact O-ND2 3.09Å; E398-N402 PolarHBondContact OE2-ND2 2.97Å; E398-R433 IonicContact OE1-CZ 3.78Å; E398-R433 IonicContact OE1-NE 3.66Å; E398-R433 IonicContact OE1-NH2 3Å; E398-R433 PolarHBondContact OE1-NH2 2.91Å; E398-R433 IonicContact OE2-CZ 3.46Å; E398-R433 IonicContact OE2-NH2 2.72Å; E398-R433 PolarHBondContact OE2-NH2 3.39Å
399Q98.2Very high97.7Very high57 Ų5731.6 Ų31.627%0.26614%0.144SC..Hα-helixtrans-64.7-38176.5-174177.37100111.9K395 D396 N402 R403K395-Q399 HydrophobicContact CG-CB 4.44Å; D396-Q399 PolarHBondContact O-N 3.3Å; D396-Q399 WeakPolarHBondContact OD1-CB 3.19Å; D396-Q399 PolarHBondContact OD1-N 3.35Å; Q399-N402 PolarHBondContact O-N 3.39Å; Q399-R403 WeakPolarHBondContact O-CB 3.47Å; Q399-R403 VanDerWaalsContact O-CG 3.26Å; Q399-R403 WeakPolarHBondContact O-CG 3.1Å; Q399-R403 PolarHBondContact O-N 2.8Å
400A98.4Very high97.7Very high0 Ų032.3 Ų32.30%015%0.147CC..Hα-helixtrans-62.9-45.6174.900000111.4W332 I334 T392 D396 R397 E398 R403 M404W332-A400 HydrophobicContact CB-CB 4.13Å; I334-A400 HydrophobicContact CD1-CB 4.01Å; I334-A400 HydrophobicContact CG1-CB 4.1Å; T392-A400 PolarHBondContact OG1-O 3.26Å; T392-A400 VanDerWaalsContact OG1-O 3.1Å; D396-A400 PolarHBondContact O-N 3.23Å; R397-A400 PolarHBondContact O-N 2.97Å; E398-A400 VanDerWaalsContact C-N 3.33Å; E398-A400 PolarHBondContact O-N 3.37Å; A400-R403 PolarHBondContact O-N 3.27Å; A400-M404 PolarHBondContact O-N 3.08Å
401M98.1Very high97.6Very high1 Ų132.4 Ų32.41%0.00515%0.148CC..Hα-helixtrans-61.4-45.5175.6-71.4-172-63.100112I334 R397 E398 R403 M404 R405 Y432 R433I334-M401 HydrophobicContact CD1-CB 4.23Å; I334-M401 HydrophobicContact CD1-CG 3.4Å; I334-M401 VanDerWaalsContact CD1-CG 3.4Å; R397-M401 HydrophobicContact CG-CE 4.24Å; R397-M401 WeakPolarHBondContact O-CG 3.27Å; R397-M401 PolarHBondContact O-N 2.67Å; E398-M401 HydrophobicContact CG-CE 4.25Å; E398-M401 PolarHBondContact O-N 3.33Å; E398-M401 VanDerWaalsContact OE1-CE 3.3Å; E398-M401 WeakPolarHBondContact OE1-CE 3.31Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 2.93Å; M401-M404 PolarHBondContact O-N 2.7Å; M401-R405 WeakPolarHBondContact O-CB 3.45Å; M401-R405 PolarHBondContact O-N 2.9Å; M401-Y432 HydrophobicContact CG-CE1 4.11Å; M401-Y432 HydrophobicContact SD-CD1 4Å; M401-Y432 HydrophobicContact SD-CE1 3.74Å; M401-R433 HydrophobicContact CE-CB 4.39Å; M401-R433 HydrophobicContact CE-CG 4.24Å; M401-R433 HydrophobicContact SD-CB 4.48Å; M401-R433 HydrophobicContact SD-CG 3.99Å
402N97.4Very high97.5Very high47 Ų4732.3 Ų32.325%0.25115%0.147SC..Hα-helixtrans-65.9-34.1179.6-67.4-31.4000112.1E398 Q399 R405 D406E398-N402 WeakPolarHBondContact O-CB 3.48Å; E398-N402 VanDerWaalsContact O-CG 3.22Å; E398-N402 PolarHBondContact O-N 3Å; E398-N402 PolarHBondContact O-ND2 3.46Å; E398-N402 VanDerWaalsContact O-ND2 3.09Å; E398-N402 PolarHBondContact OE2-ND2 2.97Å; Q399-N402 PolarHBondContact O-N 3.39Å; N402-R405 WeakPolarHBondContact O-CB 3.32Å; N402-D406 PolarHBondContact O-N 3.01Å; N402-D406 VanDerWaalsContact O-N 3.12Å
403R97.9Very high97.3Very high55 Ų5532.6 Ų32.621%0.20815%0.149CC..Hα-helixtrans-69.6-42.4171.8-73.1168179.3-156.216.5111.9I364 P365 T392 H393 Q399 A400 M401 R405 D406 A407I364-R403 HydrophobicContact CG2-CB 4.15Å; I364-R403 HydrophobicContact CG2-CG 4.35Å; P365-R403 WeakPolarHBondContact O-CD 3.43Å; P365-R403 PolarHBondContact O-NE 2.87Å; P365-R403 PolarHBondContact O-NH1 3.42Å; T392-R403 HydrophobicContact CG2-CB 4.16Å; H393-R403 VanDerWaalsContact O-CD 3.23Å; H393-R403 WeakPolarHBondContact O-CD 3.39Å; H393-R403 PolarHBondContact O-NH1 2.97Å; Q399-R403 WeakPolarHBondContact O-CB 3.47Å; Q399-R403 VanDerWaalsContact O-CG 3.26Å; Q399-R403 WeakPolarHBondContact O-CG 3.1Å; Q399-R403 PolarHBondContact O-N 2.8Å; A400-R403 PolarHBondContact O-N 3.27Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 2.93Å; R403-R405 VanDerWaalsContact C-N 3.3Å; R403-R405 PolarHBondContact O-N 2.8Å; R403-D406 PolarHBondContact O-N 2.91Å; R403-A407 WeakPolarHBondContact O-CB 3.45Å; R403-A407 PolarHBondContact O-N 3.35Å
404M98.4Very high97.1Very high0 Ų031.5 Ų31.50%014%0.142CC..Hα-helixtrans-60.5-44.2176.2-173.956.277.500111I334 C336 L390 T392 A400 M401 D406 A407 L408 M427I334-M404 HydrophobicContact CB-CE 4.17Å; I334-M404 HydrophobicContact CG2-CE 3.96Å; I334-M404 WeakPolarHBondContact O-CE 3.41Å; C336-M404 HydrophobicContact CB-CE 4.04Å; C336-M404 HydrophobicContact CB-SD 3.88Å; L390-M404 HydrophobicContact CD2-SD 3.74Å; L390-M404 HydrophobicContact CG-CE 4.38Å; L390-M404 HydrophobicContact CG-SD 3.8Å; L390-M404 WeakPolarHBondContact O-CE 3.36Å; T392-M404 HydrophobicContact CG2-CB 4.2Å; T392-M404 HydrophobicContact CG2-CE 3.97Å; T392-M404 HydrophobicContact CG2-SD 4.12Å; T392-M404 WeakPolarHBondContact OG1-CB 3.4Å; T392-M404 WeakPolarHBondContact OG1-CE 3.47Å; T392-M404 PolarHBondContact OG1-N 3.18Å; A400-M404 PolarHBondContact O-N 3.08Å; M401-M404 PolarHBondContact O-N 2.7Å; M404-D406 PolarHBondContact O-N 2.83Å; M404-A407 PolarHBondContact O-N 2.83Å; M404-L408 HydrophobicContact CG-CD1 3.89Å; M404-L408 HydrophobicContact CG-CG 4.39Å; M404-L408 WeakPolarHBondContact O-CB 3.09Å; M404-L408 VanDerWaalsContact O-CG 3.28Å; M404-L408 WeakPolarHBondContact O-CG 3.25Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.21Å; M404-L408 HydrophobicContact SD-CG 4.17Å; M404-M427 HydrophobicContact CB-CG 4.14Å; M404-M427 HydrophobicContact CB-SD 3.69Å; M404-M427 HydrophobicContact CG-CE 4.08Å; M404-M427 HydrophobicContact CG-CG 3.79Å; M404-M427 HydrophobicContact CG-SD 3.51Å; M404-M427 VanDerWaalsContact CG-SD 3.51Å
405R97.2Very high96.6Very high76 Ų7634 Ų3429%0.28717%0.168SC..Hα-helixtrans-51.3-55.8173.7-176.1-160.369.2-167.3-3.8111.4M401 N402 R403 L408 D409 R424 M427 T428M401-R405 WeakPolarHBondContact O-CB 3.45Å; M401-R405 PolarHBondContact O-N 2.9Å; N402-R405 WeakPolarHBondContact O-CB 3.32Å; R403-R405 VanDerWaalsContact C-N 3.3Å; R403-R405 PolarHBondContact O-N 2.8Å; R405-L408 PolarHBondContact O-N 2.76Å; R405-D409 PolarHBondContact O-N 2.93Å; R405-R424 VanDerWaalsContact CG-NH1 3.31Å; R405-R424 VanDerWaalsContact O-CD 3.3Å; R405-R424 WeakPolarHBondContact O-CD 3.32Å; R405-R424 PolarHBondContact O-NE 3.13Å; R405-R424 VanDerWaalsContact O-NE 3.13Å; R405-M427 HydrophobicContact CB-CB 4.33Å; R405-T428 HydrophobicContact CG-CG2 4.3Å
406D96.2Very high96.2Very high43 Ų4327.2 Ų27.223%0.2314%0.14CC..Hα-helixtrans-68.8-36.4-178-61.4-13000111.6I364 N402 R403 M404 D409 E410 I558I364-D406 HydrophobicContact CD1-CB 4.04Å; N402-D406 PolarHBondContact O-N 3.01Å; N402-D406 VanDerWaalsContact O-N 3.12Å; R403-D406 PolarHBondContact O-N 2.91Å; M404-D406 PolarHBondContact O-N 2.83Å; D406-D409 PolarHBondContact O-N 3.26Å; D406-E410 PolarHBondContact O-N 2.67Å; D406-I558 HydrophobicContact CB-CD1 4.35Å
407A97.6Very high95.9Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-64.1-43176.900000112.2P361 I364 L390 T392 R403 M404 D409 E410 Y411P361-A407 HydrophobicContact CB-CB 4.02Å; P361-A407 WeakPolarHBondContact CB-O 3.38Å; P361-A407 HydrophobicContact CG-CB 3.86Å; P361-A407 WeakPolarHBondContact CG-O 3.49Å; I364-A407 HydrophobicContact CB-CB 4.35Å; I364-A407 HydrophobicContact CG1-CB 4.17Å; I364-A407 HydrophobicContact CG2-CB 4.39Å; L390-A407 HydrophobicContact CD1-CB 4.31Å; L390-A407 HydrophobicContact CD2-CB 4.05Å; T392-A407 HydrophobicContact CG2-CB 4.13Å; R403-A407 WeakPolarHBondContact O-CB 3.45Å; R403-A407 PolarHBondContact O-N 3.35Å; M404-A407 PolarHBondContact O-N 2.83Å; A407-D409 VanDerWaalsContact C-N 3.3Å; A407-D409 PolarHBondContact O-N 3.18Å; A407-E410 PolarHBondContact O-N 3.21Å; A407-Y411 WeakPolarHBondContact O-CB 3.28Å; A407-Y411 PolarHBondContact O-N 2.99Å
408L98.1Very high95.7Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-64.8-34.5175.2-73.7168.1000111.9L390 M404 R405 Y411 I420 L423 R424 M427L390-L408 HydrophobicContact CD2-CD2 3.7Å; L390-L408 HydrophobicContact CD2-CG 3.94Å; M404-L408 HydrophobicContact CG-CD1 3.89Å; M404-L408 HydrophobicContact CG-CG 4.39Å; M404-L408 WeakPolarHBondContact O-CB 3.09Å; M404-L408 VanDerWaalsContact O-CG 3.28Å; M404-L408 WeakPolarHBondContact O-CG 3.25Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.21Å; M404-L408 HydrophobicContact SD-CG 4.17Å; R405-L408 PolarHBondContact O-N 2.76Å; L408-Y411 PolarHBondContact O-N 3.04Å; L408-I420 HydrophobicContact CB-CG2 4.12Å; L408-I420 HydrophobicContact CD2-CB 4.48Å; L408-I420 HydrophobicContact CD2-CG1 4.16Å; L408-I420 HydrophobicContact CD2-CG2 4.07Å; L408-I420 WeakPolarHBondContact O-CG2 3.05Å; L408-L423 HydrophobicContact CD1-CB 3.89Å; L408-L423 HydrophobicContact CD2-CB 4.17Å; L408-L423 HydrophobicContact CD2-CD1 4.28Å; L408-R424 HydrophobicContact CB-CB 4.17Å; L408-R424 HydrophobicContact CB-CG 4.43Å; L408-R424 HydrophobicContact CD1-CB 4.17Å; L408-M427 HydrophobicContact CD1-CG 4.13Å
409D95.9Very high95.6Very high11 Ų1123.5 Ų23.56%0.05913%0.126CC..Hα-helixtrans-70.6-35175.2-72.5-23000112.7R405 D406 A407 R424 I558 Q560 K575 G576R405-D409 PolarHBondContact O-N 2.93Å; D406-D409 PolarHBondContact O-N 3.26Å; A407-D409 VanDerWaalsContact C-N 3.3Å; A407-D409 PolarHBondContact O-N 3.18Å; D409-R424 WeakPolarHBondContact OD1-CD 3.31Å; D409-R424 WeakPolarHBondContact OD1-CG 3.21Å; D409-R424 IonicContact OD1-CZ 3.51Å; D409-R424 IonicContact OD1-NE 3.43Å; D409-R424 PolarHBondContact OD1-NE 2.65Å; D409-R424 IonicContact OD2-CZ 2.75Å; D409-R424 VanDerWaalsContact OD2-CZ 3.3Å; D409-R424 IonicContact OD2-NE 3.86Å; D409-R424 PolarHBondContact OD2-NE 3.42Å; D409-R424 IonicContact OD2-NH2 2.8Å; D409-R424 PolarHBondContact OD2-NH2 3.34Å; D409-I558 HydrophobicContact CB-CB 4.05Å; D409-I558 HydrophobicContact CB-CD1 4.29Å; D409-I558 HydrophobicContact CB-CG2 3.92Å; D409-Q560 PolarHBondContact O-NE2 2.91Å; D409-K575 VanDerWaalsContact OD1-C 3.31Å; D409-K575 WeakPolarHBondContact OD1-CA 3.35Å; D409-G576 PolarHBondContact OD1-N 2.97Å; D409-G576 VanDerWaalsContact OD1-N 3.14Å
410E95Very high95.6Very high15 Ų1521 Ų217%0.0712%0.115CC..Hα-helixtrans-80.5-15.9174.5-73.1-146.9-174.900114P361 R363 I364 D406 A407 V412 V547 N549 I558P361-E410 HydrophobicContact CB-CB 3.89Å; R363-E410 IonicContact CZ-OE2 2.9Å; R363-E410 IonicContact NE-OE2 3.82Å; R363-E410 PolarHBondContact NE-OE2 2.84Å; R363-E410 IonicContact NH2-OE2 3.79Å; R363-E410 PolarHBondContact NH2-OE2 2.86Å; I364-E410 HydrophobicContact CD1-CG 4.26Å; D406-E410 PolarHBondContact O-N 2.67Å; A407-E410 PolarHBondContact O-N 3.21Å; E410-V412 PolarHBondContact O-N 2.98Å; E410-V412 VanDerWaalsContact O-N 3.11Å; E410-V547 HydrophobicContact CG-CG1 4.16Å; E410-N549 PolarHBondContact OE1-ND2 2.68Å; E410-I558 HydrophobicContact CG-CD1 4.14Å; E410-I558 HydrophobicContact CG-CG2 4.09Å
411Y96.8Very high95.5Very high2 Ų221.4 Ų21.41%0.00812%0.117CC..  trans-72.6108.4-172.5-160.2171.2000111.8V338 Y358 S359 E360 P361 C388 L390 A407 L408 I413 I420 Q560V338-Y411 HydrophobicContact CB-CE1 4.26Å; V338-Y411 HydrophobicContact CG1-CE1 4.13Å; V338-Y411 HydrophobicContact CG2-CD1 4.21Å; V338-Y411 HydrophobicContact CG2-CE1 3.89Å; Y358-Y411 HydrophobicContact CD2-CE2 4.26Å; Y358-Y411 AromaticContact CE2-CE2 3.6Å; Y358-Y411 HydrophobicContact CE2-CE2 3.6Å; Y358-Y411 AromaticContact CE2-CZ 3.85Å; Y358-Y411 VanDerWaalsContact CE2-OH 3.3Å; Y358-Y411 WeakPolarHBondContact CE2-OH 3.49Å; Y358-Y411 PolarHBondContact OH-OH 3.21Å; S359-Y411 VanDerWaalsContact O-CD2 3.26Å; S359-Y411 WeakPolarHBondContact O-CD2 3.48Å; E360-Y411 HydrophobicContact CG-CE2 4.18Å; P361-Y411 HydrophobicContact CG-CG 4.3Å; C388-Y411 HydrophobicContact CB-CE1 4.15Å; C388-Y411 WeakPolarHBondContact CB-OH 3.5Å; C388-Y411 PolarHBondContact SG-OH 2.98Å; C388-Y411 VanDerWaalsContact SG-OH 3.33Å; L390-Y411 HydrophobicContact CD2-CD1 4.06Å; A407-Y411 WeakPolarHBondContact O-CB 3.28Å; A407-Y411 PolarHBondContact O-N 2.99Å; L408-Y411 PolarHBondContact O-N 3.04Å; Y411-I413 HydrophobicContact CD1-CD1 4.49Å; Y411-I413 HydrophobicContact CD2-CD1 4.31Å; Y411-I413 HydrophobicContact CD2-CG1 3.99Å; Y411-I413 HydrophobicContact CE1-CD1 4.31Å; Y411-I413 HydrophobicContact CE2-CD1 4.14Å; Y411-I413 HydrophobicContact CE2-CG1 3.99Å; Y411-I420 HydrophobicContact CD1-CD1 3.94Å; Y411-I420 HydrophobicContact CG-CD1 3.99Å; Y411-Q560 PolarHBondContact O-NE2 3.01Å
412V96Very high95.4Very high1 Ų121.5 Ų21.51%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-90.6114.8-178.9-174.50000110.5R357 Y358 S359 E410 R414 A546 V547R357-V412 HydrophobicContact CG-CG1 4.32Å; Y358-V412 CarbonylContact C-O 3.45Å; Y358-V412 VanDerWaalsContact CA-O 3.3Å; Y358-V412 WeakPolarHBondContact CA-O 3.04Å; S359-V412 PolarHBondContact N-O 3.43Å; S359-V412 PolarHBondContact O-N 3.1Å; S359-V412 VanDerWaalsContact O-N 3.08Å; E410-V412 PolarHBondContact O-N 2.98Å; E410-V412 VanDerWaalsContact O-N 3.11Å; V412-R414 HydrophobicContact CG1-CG 4.42Å; V412-A546 HydrophobicContact CG1-CB 3.9Å; V412-A546 HydrophobicContact CG2-CB 3.85Å; V412-V547 HydrophobicContact CG2-CG2 3.39Å
413I94.9Very high95.5Very high5 Ų519.2 Ų19.23%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-128.8127.6170.1-56.5178.8000108.5V338 L355 R357 Y358 I387 Y411 V416 N418 I420V338-I413 HydrophobicContact CG1-CD1 3.71Å; L355-I413 HydrophobicContact CD2-CG2 4.1Å; R357-I413 CarbonylContact O-C 3.56Å; Y358-I413 HydrophobicContact CD2-CG1 4.26Å; I387-I413 HydrophobicContact CD1-CD1 3.95Å; I387-I413 HydrophobicContact CD1-CG2 4.24Å; I387-I413 HydrophobicContact CG2-CD1 4.17Å; Y411-I413 HydrophobicContact CD1-CD1 4.49Å; Y411-I413 HydrophobicContact CD2-CD1 4.31Å; Y411-I413 HydrophobicContact CD2-CG1 3.99Å; Y411-I413 HydrophobicContact CE1-CD1 4.31Å; Y411-I413 HydrophobicContact CE2-CD1 4.14Å; Y411-I413 HydrophobicContact CE2-CG1 3.99Å; I413-V416 HydrophobicContact CG2-CG2 3.97Å; I413-N418 HydrophobicContact CD1-CB 4.44Å; I413-I420 HydrophobicContact CD1-CD1 3.71Å; I413-I420 HydrophobicContact CG1-CD1 4.24Å
414R93.5Very high95.4Very high31 Ų3117.1 Ų17.112%0.11710%0.098CC..EExtended strand (participates in β ladder)trans-134.6152.7175.2-57.6-67.3-178.9-88.5-2.9110.5L355 S356 R357 V412 I561L355-R414 CarbonylContact C-O 3.24Å; L355-R414 WeakPolarHBondContact CA-O 3.29Å; S356-R414 PolarHBondContact N-O 3.24Å; S356-R414 VanDerWaalsContact OG-CB 3.29Å; S356-R414 WeakPolarHBondContact OG-CB 3.46Å; R357-R414 HydrophobicContact CB-CB 3.78Å; R357-R414 HydrophobicContact CB-CG 3.77Å; R357-R414 PolarHBondContact O-N 3.11Å; V412-R414 HydrophobicContact CG1-CG 4.42Å; R414-I561 PolarHBondContact NH2-O 2.89Å; R414-I561 VanDerWaalsContact NH2-O 3.15Å
415G87.4Confident95.4Very high53 Ų5318.4 Ų18.455%0.54611%0.105SC..SBendtrans99.2-30.9179.900000114R354 S356R354-G415 WeakPolarHBondContact O-CA 3.38Å; S356-G415 PolarHBondContact OG-N 2.91Å
416V89.7Confident95.4Very high12 Ų1214.8 Ų14.87%0.0739%0.091CC..SBendtrans-122.8153.4170.2-59.30000110.5A340 L355 I379 I387 I413A340-V416 HydrophobicContact CB-CG2 4.15Å; L355-V416 HydrophobicContact CD2-CG1 4.41Å; L355-V416 HydrophobicContact CD2-CG2 3.6Å; I379-V416 HydrophobicContact CG1-CG1 4.36Å; I387-V416 HydrophobicContact CD1-CG2 4.16Å; I413-V416 HydrophobicContact CG2-CG2 3.97Å
417T91.6Very high95.4Very high62 Ų6212.8 Ų12.838%0.388%0.08SC..  trans-74.7155.2163.754.70000109.7A340 E341 S351A340-T417 CarbonylContact C-O 3.56Å; A340-T417 WeakPolarHBondContact CA-O 3.19Å; E341-T417 PolarHBondContact N-O 3.2Å; E341-T417 CarbonylContact O-C 3.57Å; E341-T417 VanDerWaalsContact O-C 3.24Å; S351-T417 WeakPolarHBondContact CB-OG1 3.49Å; S351-T417 PolarHBondContact OG-N 3.38Å; S351-T417 VanDerWaalsContact OG-N 3.08Å; S351-T417 PolarHBondContact OG-OG1 3.14Å
418N94.7Very high95.3Very high23 Ų2315.3 Ų15.312%0.12310%0.096CC..  trans-146163.3-177.761.173.9000111.3Y339 E341 P343 I387 I413 I420 P421Y339-N418 WeakPolarHBondContact O-CA 3.45Å; Y339-N418 WeakPolarHBondContact O-CB 3.5Å; E341-N418 CarbonylContact O-C 3.54Å; E341-N418 WeakPolarHBondContact O-CA 3.2Å; E341-N418 PolarHBondContact O-N 3.29Å; P343-N418 VanDerWaalsContact CD-O 3.31Å; P343-N418 WeakPolarHBondContact CD-O 3.29Å; I387-N418 HydrophobicContact CD1-CB 4.38Å; I413-N418 HydrophobicContact CD1-CB 4.44Å; N418-I420 VanDerWaalsContact C-N 3.35Å; N418-I420 WeakPolarHBondContact OD1-CB 3.38Å; N418-I420 WeakPolarHBondContact OD1-CD1 3.37Å; N418-I420 VanDerWaalsContact OD1-CG1 3.27Å; N418-I420 WeakPolarHBondContact OD1-CG1 3.45Å; N418-I420 PolarHBondContact OD1-N 3.32Å; N418-P421 WeakPolarHBondContact O-CD 3.35Å
419N95.5Very high95.2Very high0 Ų017 Ų170%010%0.104CC..SBendtrans-86.16.8-178.467.8-15.3000115.2R337 V338 Y339 E341 P421 L422 L423R337-N419 PolarHBondContact O-ND2 3.3Å; V338-N419 WeakPolarHBondContact CA-OD1 3.21Å; Y339-N419 PolarHBondContact N-OD1 3.08Å; Y339-N419 PolarHBondContact O-N 2.88Å; Y339-N419 PolarHBondContact O-OD1 3.04Å; E341-N419 HydrophobicContact CG-CB 3.66Å; E341-N419 PolarHBondContact O-N 3.12Å; E341-N419 WeakPolarHBondContact OE1-CB 3.45Å; E341-N419 PolarHBondContact OE1-ND2 3.12Å; N419-P421 VanDerWaalsContact C-N 3.28Å; N419-L422 PolarHBondContact O-N 3.49Å; N419-L423 WeakPolarHBondContact O-CG 3.47Å; N419-L423 PolarHBondContact O-N 2.95Å; N419-L423 VanDerWaalsContact O-N 3.11Å; N419-L423 WeakPolarHBondContact OD1-CD1 3.07Å
420I97.6Very high95.2Very high5 Ų524.1 Ų24.13%0.02614%0.136CC..Hα-helixtrans-49.3-43.3177-67.4172.4000112.5V338 L408 Y411 I413 N418 L422 L423 R424V338-I420 HydrophobicContact CG1-CD1 4.19Å; V338-I420 HydrophobicContact CG1-CG1 3.92Å; L408-I420 HydrophobicContact CB-CG2 4.12Å; L408-I420 HydrophobicContact CD2-CB 4.48Å; L408-I420 HydrophobicContact CD2-CG1 4.16Å; L408-I420 HydrophobicContact CD2-CG2 4.07Å; L408-I420 WeakPolarHBondContact O-CG2 3.05Å; Y411-I420 HydrophobicContact CD1-CD1 3.94Å; Y411-I420 HydrophobicContact CG-CD1 3.99Å; I413-I420 HydrophobicContact CD1-CD1 3.71Å; I413-I420 HydrophobicContact CG1-CD1 4.24Å; N418-I420 VanDerWaalsContact C-N 3.35Å; N418-I420 WeakPolarHBondContact OD1-CB 3.38Å; N418-I420 WeakPolarHBondContact OD1-CD1 3.37Å; N418-I420 VanDerWaalsContact OD1-CG1 3.27Å; N418-I420 WeakPolarHBondContact OD1-CG1 3.45Å; N418-I420 PolarHBondContact OD1-N 3.32Å; I420-L422 VanDerWaalsContact C-N 3.3Å; I420-L422 PolarHBondContact O-N 3.2Å; I420-L423 PolarHBondContact O-N 3.32Å; I420-R424 WeakPolarHBondContact O-CB 2.88Å; I420-R424 PolarHBondContact O-N 3.1Å
421P96.4Very high95.2Very high7 Ų726.3 Ų26.35%0.04514%0.144CC..Hα-helixtrans-52.2-45.2177-27.333.1000114.1P343 Y344 N418 N419 D425 F450 G576P343-P421 HydrophobicContact CG-CB 4.33Å; P343-P421 HydrophobicContact CG-CG 4.35Å; Y344-P421 HydrophobicContact CE2-CB 4.25Å; Y344-P421 HydrophobicContact CE2-CG 4.08Å; N418-P421 WeakPolarHBondContact O-CD 3.35Å; N419-P421 VanDerWaalsContact C-N 3.28Å; P421-D425 PolarHBondContact O-N 2.87Å; P421-D425 VanDerWaalsContact O-N 3.13Å; P421-F450 HydrophobicContact CB-CE1 3.49Å; P421-F450 VanDerWaalsContact CB-CE1 3.49Å; P421-F450 HydrophobicContact CB-CZ 3.83Å; P421-F450 WeakPolarHBondContact O-CZ 2.92Å; P421-G576 WeakPolarHBondContact CG-O 3.35Å
422L96.5Very high95.2Very high3 Ų326.3 Ų26.32%0.01614%0.144CC..Hα-helixtrans-69.6-49179.8172.763.5000110.8P343 F347 N419 I420 R424 D425 I426 Y446 F450P343-L422 HydrophobicContact CB-CB 3.88Å; P343-L422 HydrophobicContact CB-CD2 4.44Å; P343-L422 HydrophobicContact CG-CB 4.49Å; F347-L422 HydrophobicContact CE2-CD1 4.37Å; F347-L422 HydrophobicContact CE2-CD2 4.45Å; F347-L422 HydrophobicContact CZ-CD1 4.32Å; F347-L422 HydrophobicContact CZ-CD2 4.22Å; N419-L422 PolarHBondContact O-N 3.49Å; I420-L422 VanDerWaalsContact C-N 3.3Å; I420-L422 PolarHBondContact O-N 3.2Å; L422-R424 PolarHBondContact O-N 2.91Å; L422-D425 PolarHBondContact O-N 3.49Å; L422-I426 HydrophobicContact CD1-CD1 3.95Å; L422-I426 HydrophobicContact CD1-CG1 4.31Å; L422-I426 HydrophobicContact CG-CD1 3.96Å; L422-I426 VanDerWaalsContact O-CG1 3.3Å; L422-I426 WeakPolarHBondContact O-CG1 3.44Å; L422-I426 PolarHBondContact O-N 3.03Å; L422-I426 VanDerWaalsContact O-N 3.1Å; L422-Y446 HydrophobicContact CD1-CD2 4.12Å; L422-Y446 HydrophobicContact CD1-CE1 4.47Å; L422-Y446 HydrophobicContact CD1-CE2 3.75Å; L422-F450 HydrophobicContact CB-CD2 4.35Å; L422-F450 HydrophobicContact CB-CG 4.33Å; L422-F450 HydrophobicContact CD1-CB 4.26Å; L422-F450 HydrophobicContact CD1-CD2 3.72Å; L422-F450 HydrophobicContact CD1-CE2 4.34Å; L422-F450 HydrophobicContact CD1-CG 4.12Å
423L98Very high95.3Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-57.1-41.3178.7-63.7170.7000111.1V237 I238 C336 V338 L408 N419 I420 I426 M427V237-L423 HydrophobicContact CG1-CD2 3.67Å; I238-L423 HydrophobicContact CD1-CD2 3.9Å; I238-L423 HydrophobicContact CG1-CD2 3.69Å; C336-L423 HydrophobicContact CB-CD1 4.11Å; C336-L423 HydrophobicContact CB-CD2 4.29Å; V338-L423 HydrophobicContact CG2-CD1 4.06Å; L408-L423 HydrophobicContact CD1-CB 3.89Å; L408-L423 HydrophobicContact CD2-CB 4.17Å; L408-L423 HydrophobicContact CD2-CD1 4.28Å; N419-L423 WeakPolarHBondContact O-CG 3.47Å; N419-L423 PolarHBondContact O-N 2.95Å; N419-L423 VanDerWaalsContact O-N 3.11Å; N419-L423 WeakPolarHBondContact OD1-CD1 3.07Å; I420-L423 PolarHBondContact O-N 3.32Å; L423-I426 PolarHBondContact O-N 3.05Å; L423-M427 WeakPolarHBondContact O-CG 3.15Å; L423-M427 PolarHBondContact O-N 3.48Å
424R97Very high95.3Very high10 Ų1033.1 Ų33.14%0.03818%0.182CC..Hα-helixtrans-69.7-37.5-177.2179.654.7-173.7785112.6R405 L408 D409 I420 L422 T428 K575R405-R424 VanDerWaalsContact CG-NH1 3.31Å; R405-R424 VanDerWaalsContact O-CD 3.3Å; R405-R424 WeakPolarHBondContact O-CD 3.32Å; R405-R424 PolarHBondContact O-NE 3.13Å; R405-R424 VanDerWaalsContact O-NE 3.13Å; L408-R424 HydrophobicContact CB-CB 4.17Å; L408-R424 HydrophobicContact CB-CG 4.43Å; L408-R424 HydrophobicContact CD1-CB 4.17Å; D409-R424 WeakPolarHBondContact OD1-CD 3.31Å; D409-R424 WeakPolarHBondContact OD1-CG 3.21Å; D409-R424 IonicContact OD1-CZ 3.51Å; D409-R424 IonicContact OD1-NE 3.43Å; D409-R424 PolarHBondContact OD1-NE 2.65Å; D409-R424 IonicContact OD2-CZ 2.75Å; D409-R424 VanDerWaalsContact OD2-CZ 3.3Å; D409-R424 IonicContact OD2-NE 3.86Å; D409-R424 PolarHBondContact OD2-NE 3.42Å; D409-R424 IonicContact OD2-NH2 2.8Å; D409-R424 PolarHBondContact OD2-NH2 3.34Å; I420-R424 WeakPolarHBondContact O-CB 2.88Å; I420-R424 PolarHBondContact O-N 3.1Å; L422-R424 PolarHBondContact O-N 2.91Å; R424-T428 VanDerWaalsContact NH1-CG2 3.33Å; R424-T428 PolarHBondContact NH1-OG1 2.8Å; R424-K575 VanDerWaalsContact CG-C 3.45Å; R424-K575 HydrophobicContact CG-CB 4.46Å; R424-K575 VanDerWaalsContact CG-O 3.32Å; R424-K575 WeakPolarHBondContact CG-O 3.49Å
425D97Very high95.4Very high28 Ų2832 Ų3215%0.1518%0.18CC..Hα-helixtrans-66.8-44.3175.5-169.544.7000111.3P421 L422 M427 T428 E429 Y446 F450 I453P421-D425 PolarHBondContact O-N 2.87Å; P421-D425 VanDerWaalsContact O-N 3.13Å; L422-D425 PolarHBondContact O-N 3.49Å; D425-M427 VanDerWaalsContact C-N 3.27Å; D425-M427 PolarHBondContact O-N 3.07Å; D425-T428 CarbonylContact O-C 3.43Å; D425-T428 WeakPolarHBondContact O-CA 3.35Å; D425-T428 PolarHBondContact O-N 3.2Å; D425-T428 PolarHBondContact O-OG1 3.2Å; D425-E429 PolarHBondContact O-N 3.07Å; D425-Y446 VanDerWaalsContact OD2-CE1 3.31Å; D425-Y446 WeakPolarHBondContact OD2-CE1 3.27Å; D425-Y446 PolarHBondContact OD2-OH 2.95Å; D425-F450 HydrophobicContact CB-CE2 3.86Å; D425-F450 HydrophobicContact CB-CZ 4.41Å; D425-I453 HydrophobicContact CB-CD1 3.83Å; D425-I453 HydrophobicContact CB-CG1 3.8Å; D425-I453 WeakPolarHBondContact OD1-CG1 3.24Å
426I97.4Very high95.7Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-56.8-39178.3-65.7164.8000111.8I238 L422 L423 T428 E429 Y432 Y441 L442 Y446I238-I426 HydrophobicContact CD1-CB 3.99Å; I238-I426 HydrophobicContact CD1-CD1 3.83Å; I238-I426 HydrophobicContact CD1-CG2 3.65Å; L422-I426 HydrophobicContact CD1-CD1 3.95Å; L422-I426 HydrophobicContact CD1-CG1 4.31Å; L422-I426 HydrophobicContact CG-CD1 3.96Å; L422-I426 VanDerWaalsContact O-CG1 3.3Å; L422-I426 WeakPolarHBondContact O-CG1 3.44Å; L422-I426 PolarHBondContact O-N 3.03Å; L422-I426 VanDerWaalsContact O-N 3.1Å; L423-I426 PolarHBondContact O-N 3.05Å; I426-T428 PolarHBondContact O-N 2.74Å; I426-T428 VanDerWaalsContact O-N 3.08Å; I426-E429 PolarHBondContact O-N 2.91Å; I426-E429 VanDerWaalsContact O-N 3.14Å; I426-Y432 HydrophobicContact CG2-CD1 3.99Å; I426-Y432 HydrophobicContact CG2-CD2 3.69Å; I426-Y432 HydrophobicContact CG2-CE1 4.46Å; I426-Y432 HydrophobicContact CG2-CE2 4.21Å; I426-Y432 HydrophobicContact CG2-CG 3.58Å; I426-Y432 WeakPolarHBondContact O-CB 3.2Å; I426-Y432 WeakPolarHBondContact O-CD1 3.36Å; I426-Y441 HydrophobicContact CD1-CE1 4.34Å; I426-Y441 HydrophobicContact CG1-CE1 4.1Å; I426-Y441 HydrophobicContact CG2-CE1 4.08Å; I426-L442 HydrophobicContact CD1-CD2 3.61Å; I426-Y446 HydrophobicContact CG1-CE2 4.08Å
427M97.4Very high95.9Very high0 Ų033.1 Ų33.10%017%0.173CC..THydrogen-bonded Turntrans-60.2-20.5176.5-67.2-61124.900114.1I238 I334 M404 R405 L408 L423 D425 Y432 R433I238-M427 HydrophobicContact CD1-CE 3.68Å; I238-M427 HydrophobicContact CG2-CE 3.9Å; I334-M427 HydrophobicContact CG2-CE 4.09Å; I334-M427 HydrophobicContact CG2-SD 4.44Å; M404-M427 HydrophobicContact CB-CG 4.14Å; M404-M427 HydrophobicContact CB-SD 3.69Å; M404-M427 HydrophobicContact CG-CE 4.08Å; M404-M427 HydrophobicContact CG-CG 3.79Å; M404-M427 HydrophobicContact CG-SD 3.51Å; M404-M427 VanDerWaalsContact CG-SD 3.51Å; R405-M427 HydrophobicContact CB-CB 4.33Å; L408-M427 HydrophobicContact CD1-CG 4.13Å; L423-M427 WeakPolarHBondContact O-CG 3.15Å; L423-M427 PolarHBondContact O-N 3.48Å; D425-M427 VanDerWaalsContact C-N 3.27Å; D425-M427 PolarHBondContact O-N 3.07Å; M427-Y432 HydrophobicContact CE-CE1 3.74Å; M427-Y432 HydrophobicContact SD-CE1 3.89Å; M427-R433 PolarHBondContact O-NH1 3.06Å
428T95.5Very high96.1Very high54 Ų5430.8 Ų30.833%0.33116%0.159SC..THydrogen-bonded Turntrans-110.6-4.1178.742.30000114.1R405 R424 D425 I426R405-T428 HydrophobicContact CG-CG2 4.3Å; R424-T428 VanDerWaalsContact NH1-CG2 3.33Å; R424-T428 PolarHBondContact NH1-OG1 2.8Å; D425-T428 CarbonylContact O-C 3.43Å; D425-T428 WeakPolarHBondContact O-CA 3.35Å; D425-T428 PolarHBondContact O-N 3.2Å; D425-T428 PolarHBondContact O-OG1 3.2Å; I426-T428 PolarHBondContact O-N 2.74Å; I426-T428 VanDerWaalsContact O-N 3.08Å
429E96.4Very high96Very high36 Ų3631.1 Ų31.117%0.16816%0.162CC..  trans-77.2140-177.8-167-74.3139.300111.5D425 I426 R431 Y432 R433 Y441 T445D425-E429 PolarHBondContact O-N 3.07Å; I426-E429 PolarHBondContact O-N 2.91Å; I426-E429 VanDerWaalsContact O-N 3.14Å; E429-R431 PolarHBondContact OE1-N 3.1Å; E429-R431 VanDerWaalsContact OE2-CA 3.32Å; E429-R431 WeakPolarHBondContact OE2-CA 3.03Å; E429-R431 VanDerWaalsContact OE2-CB 3.27Å; E429-R431 WeakPolarHBondContact OE2-CB 3.34Å; E429-R431 PolarHBondContact OE2-N 2.79Å; E429-Y432 PolarHBondContact O-N 3.32Å; E429-Y432 PolarHBondContact OE2-N 3.44Å; E429-R433 WeakPolarHBondContact O-CB 3.39Å; E429-R433 VanDerWaalsContact O-CG 3.24Å; E429-R433 WeakPolarHBondContact O-CG 3.06Å; E429-R433 PolarHBondContact O-N 2.93Å; E429-Y441 WeakPolarHBondContact OE2-CE2 3.35Å; E429-Y441 PolarHBondContact OE2-OH 2.72Å; E429-T445 HydrophobicContact CG-CG2 3.76Å
430E95.3Very high95.7Very high159 Ų15933.9 Ų33.974%0.74317%0.174SC*.Hα-helixtrans-62.3-46.5-169.4-174.9-178.9-179.700113.7R433 S434E430-R433 PolarHBondContact O-N 3.39Å; E430-S434 WeakPolarHBondContact O-CB 3.48Å; E430-S434 PolarHBondContact O-N 2.97Å; E430-S434 PolarHBondContact O-OG 2.83Å
431R95.2Very high95.6Very high62 Ų6233.7 Ų33.723%0.23417%0.173CC..Hα-helixtrans-65.3-39.4178.8-68.1-17764.3-176.82.5111.9E429 S434 G435 N436 Y441 E444E429-R431 PolarHBondContact OE1-N 3.1Å; E429-R431 VanDerWaalsContact OE2-CA 3.32Å; E429-R431 WeakPolarHBondContact OE2-CA 3.03Å; E429-R431 VanDerWaalsContact OE2-CB 3.27Å; E429-R431 WeakPolarHBondContact OE2-CB 3.34Å; E429-R431 PolarHBondContact OE2-N 2.79Å; R431-S434 WeakPolarHBondContact CA-OG 3.19Å; R431-S434 PolarHBondContact O-OG 3.39Å; R431-G435 PolarHBondContact O-N 2.7Å; R431-N436 PolarHBondContact NE-O 3.4Å; R431-N436 PolarHBondContact O-N 2.74Å; R431-Y441 HydrophobicContact CB-CD2 4.41Å; R431-Y441 HydrophobicContact CB-CE2 3.94Å; R431-E444 IonicContact CZ-OE2 2.65Å; R431-E444 VanDerWaalsContact CZ-OE2 3.26Å; R431-E444 IonicContact NH1-OE2 3.86Å; R431-E444 PolarHBondContact NH1-OE2 2.77Å; R431-E444 IonicContact NH2-OE2 2.68Å; R431-E444 PolarHBondContact NH2-OE2 2.99Å
432Y97.2Very high95.5Very high1 Ų133.4 Ų33.40%0.00417%0.171CC..Hα-helixtrans-64.8-46.1174.8-178.1-101.6000111.7I230 I238 R397 M401 I426 M427 E429 G435 I437I230-Y432 HydrophobicContact CD1-CD2 4.1Å; I230-Y432 HydrophobicContact CD1-CE2 4.43Å; I230-Y432 HydrophobicContact CG1-CD2 4.23Å; I230-Y432 HydrophobicContact CG1-CE2 4.07Å; I238-Y432 HydrophobicContact CG2-CE2 4.29Å; R397-Y432 PolarHBondContact NH1-O 2.77Å; R397-Y432 PolarHBondContact NH2-O 3.08Å; M401-Y432 HydrophobicContact CG-CE1 4.11Å; M401-Y432 HydrophobicContact SD-CD1 4Å; M401-Y432 HydrophobicContact SD-CE1 3.74Å; I426-Y432 HydrophobicContact CG2-CD1 3.99Å; I426-Y432 HydrophobicContact CG2-CD2 3.69Å; I426-Y432 HydrophobicContact CG2-CE1 4.46Å; I426-Y432 HydrophobicContact CG2-CE2 4.21Å; I426-Y432 HydrophobicContact CG2-CG 3.58Å; I426-Y432 WeakPolarHBondContact O-CB 3.2Å; I426-Y432 WeakPolarHBondContact O-CD1 3.36Å; M427-Y432 HydrophobicContact CE-CE1 3.74Å; M427-Y432 HydrophobicContact SD-CE1 3.89Å; E429-Y432 PolarHBondContact O-N 3.32Å; E429-Y432 PolarHBondContact OE2-N 3.44Å; Y432-G435 WeakPolarHBondContact O-CA 3.45Å; Y432-G435 PolarHBondContact O-N 3.46Å; Y432-I437 HydrophobicContact CD2-CG2 4.05Å
433R96.7Very high95.1Very high66 Ų6638.1 Ų38.125%0.24919%0.191CC..Hα-helixtrans-68.1-36.5-178.6-69.5-177.472.581.72.4113.6R397 E398 M401 M427 E429 E430 G435R397-R433 PolarHBondContact NH1-O 3.26Å; E398-R433 IonicContact OE1-CZ 3.78Å; E398-R433 IonicContact OE1-NE 3.66Å; E398-R433 IonicContact OE1-NH2 3Å; E398-R433 PolarHBondContact OE1-NH2 2.91Å; E398-R433 IonicContact OE2-CZ 3.46Å; E398-R433 IonicContact OE2-NH2 2.72Å; E398-R433 PolarHBondContact OE2-NH2 3.39Å; M401-R433 HydrophobicContact CE-CB 4.39Å; M401-R433 HydrophobicContact CE-CG 4.24Å; M401-R433 HydrophobicContact SD-CB 4.48Å; M401-R433 HydrophobicContact SD-CG 3.99Å; M427-R433 PolarHBondContact O-NH1 3.06Å; E429-R433 WeakPolarHBondContact O-CB 3.39Å; E429-R433 VanDerWaalsContact O-CG 3.24Å; E429-R433 WeakPolarHBondContact O-CG 3.06Å; E429-R433 PolarHBondContact O-N 2.93Å; E430-R433 PolarHBondContact O-N 3.39Å; R433-G435 PolarHBondContact O-N 2.84Å
434S96.4Very high94.9Very high84 Ų8441.9 Ų41.959%0.58721%0.209SC*.Hα-helixtrans-70.4-13.6170.9590000113.2E430 R431 N436E430-S434 WeakPolarHBondContact O-CB 3.48Å; E430-S434 PolarHBondContact O-N 2.97Å; E430-S434 PolarHBondContact O-OG 2.83Å; R431-S434 WeakPolarHBondContact CA-OG 3.19Å; R431-S434 PolarHBondContact O-OG 3.39Å; S434-N436 VanDerWaalsContact C-N 3.28Å
435G94.4Very high94.7Very high6 Ų643 Ų436%0.06222%0.217CC..THydrogen-bonded Turntrans79.58.3-176.800000113.3R206 R431 Y432 R433 I437R206-G435 PolarHBondContact NH1-O 3.36Å; R206-G435 VanDerWaalsContact NH1-O 3.11Å; R206-G435 PolarHBondContact NH2-O 2.96Å; R431-G435 PolarHBondContact O-N 2.7Å; Y432-G435 WeakPolarHBondContact O-CA 3.45Å; Y432-G435 PolarHBondContact O-N 3.46Å; R433-G435 PolarHBondContact O-N 2.84Å; G435-I437 VanDerWaalsContact C-N 3.26Å; G435-I437 PolarHBondContact O-N 3.41Å
436N94Very high94.5Very high88 Ų8842.9 Ų42.947%0.47121%0.214SC..  trans-80.866.7177.5-173.722.2000112.1R431 S434R431-N436 PolarHBondContact NE-O 3.4Å; R431-N436 PolarHBondContact O-N 2.74Å; S434-N436 VanDerWaalsContact C-N 3.28Å
437I94.8Very high94.2Very high2 Ų247.6 Ų47.61%0.0125%0.245CC..  trans-115.8152.6-174.964.1173.9000111.7R206 E227 I230 Y432 G435 Y441R206-I437 WeakPolarHBondContact CG-O 3.29Å; R206-I437 PolarHBondContact NE-O 2.76Å; R206-I437 VanDerWaalsContact NH1-CG1 3.26Å; R206-I437 PolarHBondContact NH1-O 2.58Å; R206-I437 PolarHBondContact NH2-O 2.69Å; E227-I437 HydrophobicContact CG-CD1 3.89Å; I230-I437 HydrophobicContact CD1-CB 3.94Å; I230-I437 HydrophobicContact CD1-CD1 4.04Å; I230-I437 HydrophobicContact CD1-CG2 3.96Å; I230-I437 HydrophobicContact CG1-CD1 4.28Å; Y432-I437 HydrophobicContact CD2-CG2 4.05Å; G435-I437 VanDerWaalsContact C-N 3.26Å; G435-I437 PolarHBondContact O-N 3.41Å; I437-Y441 HydrophobicContact CB-CD2 4.38Å; I437-Y441 HydrophobicContact CG2-CD2 3.86Å; I437-Y441 HydrophobicContact CG2-CE2 4.18Å; I437-Y441 HydrophobicContact CG2-CG 4.44Å
438T94.8Very high93.6Very high12 Ų1254.4 Ų54.47%0.07428%0.277CS..  trans-145.9172.2176.470.10000108.2N204 K440 Y441N204-T438 HydrophobicContact CB-CG2 4.06Å; N204-T438 WeakPolarHBondContact O-CG2 3.15Å; T438-K440 PolarHBondContact O-N 3.4Å; T438-K440 VanDerWaalsContact O-N 3.08Å; T438-K440 PolarHBondContact OG1-N 3.08Å; T438-Y441 WeakPolarHBondContact O-CB 3.17Å; T438-Y441 PolarHBondContact O-N 2.98Å
439T91.6Very high93.2Very high31 Ų3152.9 Ų52.919%0.1927%0.272CS..THydrogen-bonded Turntrans-59.3-15.9172.649.90000114.4P205 H207 S229P205-T439 WeakPolarHBondContact CD-OG1 3.39Å; P205-T439 WeakPolarHBondContact CG-OG1 3.41Å; P205-T439 WeakPolarHBondContact O-CG2 3.45Å; P205-T439 PolarHBondContact O-N 3.21Å; P205-T439 PolarHBondContact O-OG1 3.04Å; H207-T439 HydrophobicContact CB-CG2 4.04Å; S229-T439 WeakPolarHBondContact O-CA 3.5Å
440K90.8Very high93Very high57 Ų5751.5 Ų51.525%0.24827%0.265CS..THydrogen-bonded Turntrans-92.8-5175.5-60.3-177.1-168.4162.90113.7Y201 D203 N204 T438 L442 F443 E444Y201-K440 WeakPolarHBondContact OH-CE 3.41Å; D203-K440 IonicContact OD1-NZ 3.13Å; D203-K440 PolarHBondContact OD1-NZ 2.89Å; N204-K440 WeakPolarHBondContact OD1-CD 2.98Å; N204-K440 WeakPolarHBondContact OD1-CE 3.35Å; N204-K440 PolarHBondContact OD1-NZ 2.93Å; T438-K440 PolarHBondContact O-N 3.4Å; T438-K440 VanDerWaalsContact O-N 3.08Å; T438-K440 PolarHBondContact OG1-N 3.08Å; K440-L442 VanDerWaalsContact C-N 3.31Å; K440-L442 PolarHBondContact O-N 2.79Å; K440-L442 VanDerWaalsContact O-N 3.13Å; K440-F443 PolarHBondContact O-N 3.34Å; K440-E444 HydrophobicContact CB-CG 4.13Å; K440-E444 WeakPolarHBondContact CB-OE1 3.45Å; K440-E444 PolarHBondContact O-N 2.8Å
441Y95.3Very high92.7Very high1 Ų150.3 Ų50.30%0.00425%0.254CS..Hα-helixtrans-45.8-51.2-171.8168.2-90.2000113I230 I426 E429 R431 I437 T438 F443 E444 T445I230-Y441 HydrophobicContact CD1-CD1 3.43Å; I230-Y441 VanDerWaalsContact CD1-CD1 3.43Å; I230-Y441 HydrophobicContact CD1-CD2 4.31Å; I230-Y441 HydrophobicContact CD1-CE1 3.99Å; I230-Y441 HydrophobicContact CD1-CG 3.62Å; I230-Y441 HydrophobicContact CG2-CD1 4.37Å; I426-Y441 HydrophobicContact CD1-CE1 4.34Å; I426-Y441 HydrophobicContact CG1-CE1 4.1Å; I426-Y441 HydrophobicContact CG2-CE1 4.08Å; E429-Y441 WeakPolarHBondContact OE2-CE2 3.35Å; E429-Y441 PolarHBondContact OE2-OH 2.72Å; R431-Y441 HydrophobicContact CB-CD2 4.41Å; R431-Y441 HydrophobicContact CB-CE2 3.94Å; I437-Y441 HydrophobicContact CB-CD2 4.38Å; I437-Y441 HydrophobicContact CG2-CD2 3.86Å; I437-Y441 HydrophobicContact CG2-CE2 4.18Å; I437-Y441 HydrophobicContact CG2-CG 4.44Å; T438-Y441 WeakPolarHBondContact O-CB 3.17Å; T438-Y441 PolarHBondContact O-N 2.98Å; Y441-F443 VanDerWaalsContact C-N 3.28Å; Y441-F443 PolarHBondContact O-N 2.91Å; Y441-E444 PolarHBondContact O-N 3.47Å; Y441-T445 WeakPolarHBondContact CE2-OG1 3.38Å; Y441-T445 VanDerWaalsContact O-CB 3.29Å; Y441-T445 WeakPolarHBondContact O-CB 3.42Å; Y441-T445 PolarHBondContact O-N 3.35Å; Y441-T445 PolarHBondContact O-OG1 2.87Å; Y441-T445 VanDerWaalsContact O-OG1 3.05Å
442L92.9Very high92.5Very high1 Ų148.1 Ų48.11%0.00525%0.25CS..Hα-helixtrans-62.6-35-176.2-68.7-177.3000112.9I230 Q231 R232 V237 F347 I426 K440 Y446I230-L442 HydrophobicContact CG2-CD1 4.38Å; I230-L442 HydrophobicContact CG2-CD2 3.99Å; I230-L442 HydrophobicContact CG2-CG 4.14Å; Q231-L442 WeakPolarHBondContact O-CD1 3.14Å; R232-L442 HydrophobicContact CB-CD1 3.9Å; V237-L442 HydrophobicContact CG2-CD1 4.23Å; F347-L442 HydrophobicContact CE1-CB 3.82Å; F347-L442 HydrophobicContact CE1-CD1 4.1Å; F347-L442 HydrophobicContact CE1-CG 4.43Å; F347-L442 HydrophobicContact CZ-CB 4.06Å; F347-L442 HydrophobicContact CZ-CD2 4.46Å; I426-L442 HydrophobicContact CD1-CD2 3.61Å; K440-L442 VanDerWaalsContact C-N 3.31Å; K440-L442 PolarHBondContact O-N 2.79Å; K440-L442 VanDerWaalsContact O-N 3.13Å; L442-Y446 HydrophobicContact CD2-CD2 4.42Å; L442-Y446 HydrophobicContact CD2-CE2 4.41Å; L442-Y446 WeakPolarHBondContact O-CA 3.4Å; L442-Y446 WeakPolarHBondContact O-CB 3.45Å; L442-Y446 PolarHBondContact O-N 3.4Å
443F89.6Confident92.2Very high103 Ų10348.6 Ų48.645%0.45225%0.253SS..Hα-helixtrans-78.4-32.8179.8-61.1-75.8000112.4R233 K440 Y441 P447R233-F443 HydrophobicContact CG-CZ 4.49Å; K440-F443 PolarHBondContact O-N 3.34Å; Y441-F443 VanDerWaalsContact C-N 3.28Å; Y441-F443 PolarHBondContact O-N 2.91Å; F443-P447 WeakPolarHBondContact O-CA 3.13Å
444E92.5Very high91.8Very high79 Ų7952.1 Ų52.137%0.36927%0.27SS..Hα-helixtrans-77.6-38.3177.9-68.2175.3-179.300112.1R431 K440 Y441R431-E444 IonicContact CZ-OE2 2.65Å; R431-E444 VanDerWaalsContact CZ-OE2 3.26Å; R431-E444 IonicContact NH1-OE2 3.86Å; R431-E444 PolarHBondContact NH1-OE2 2.77Å; R431-E444 IonicContact NH2-OE2 2.68Å; R431-E444 PolarHBondContact NH2-OE2 2.99Å; K440-E444 HydrophobicContact CB-CG 4.13Å; K440-E444 WeakPolarHBondContact CB-OE1 3.45Å; K440-E444 PolarHBondContact O-N 2.8Å; Y441-E444 PolarHBondContact O-N 3.47Å
445T93.7Very high91.5Very high33 Ų3349.7 Ų49.720%0.20225%0.25CS..Hα-helixtrans-79.3-32.3179.6-56.30000111.6E429 Y441 P447E429-T445 HydrophobicContact CG-CG2 3.76Å; Y441-T445 WeakPolarHBondContact CE2-OG1 3.38Å; Y441-T445 VanDerWaalsContact O-CB 3.29Å; Y441-T445 WeakPolarHBondContact O-CB 3.42Å; Y441-T445 PolarHBondContact O-N 3.35Å; Y441-T445 PolarHBondContact O-OG1 2.87Å; Y441-T445 VanDerWaalsContact O-OG1 3.05Å; T445-P447 VanDerWaalsContact C-CD 3.49Å
446Y93.2Very high91.3Very high25 Ų2552 Ų5210%0.09827%0.266CS..  trans-127.464.2179.5-51.3-80.9000112F347 L422 D425 I426 L442 E448 G449 F450F347-Y446 HydrophobicContact CE2-CD2 4.36Å; F347-Y446 HydrophobicContact CE2-CG 4.12Å; F347-Y446 HydrophobicContact CZ-CD2 4.04Å; F347-Y446 HydrophobicContact CZ-CG 4.22Å; L422-Y446 HydrophobicContact CD1-CD2 4.12Å; L422-Y446 HydrophobicContact CD1-CE1 4.47Å; L422-Y446 HydrophobicContact CD1-CE2 3.75Å; D425-Y446 VanDerWaalsContact OD2-CE1 3.31Å; D425-Y446 WeakPolarHBondContact OD2-CE1 3.27Å; D425-Y446 PolarHBondContact OD2-OH 2.95Å; I426-Y446 HydrophobicContact CG1-CE2 4.08Å; L442-Y446 HydrophobicContact CD2-CD2 4.42Å; L442-Y446 HydrophobicContact CD2-CE2 4.41Å; L442-Y446 WeakPolarHBondContact O-CA 3.4Å; L442-Y446 WeakPolarHBondContact O-CB 3.45Å; L442-Y446 PolarHBondContact O-N 3.4Å; Y446-E448 VanDerWaalsContact C-N 3.3Å; Y446-E448 PolarHBondContact O-N 2.88Å; Y446-G449 WeakPolarHBondContact O-CA 3.49Å; Y446-G449 PolarHBondContact O-N 2.89Å; Y446-F450 HydrophobicContact CD1-CD2 4.08Å; Y446-F450 AromaticContact CE1-CD2 3.81Å; Y446-F450 HydrophobicContact CE1-CD2 3.81Å; Y446-F450 HydrophobicContact CE1-CE2 4.3Å
447P89.8Confident91Very high99 Ų9953.1 Ų53.164%0.64327%0.272SS*.THydrogen-bonded Turntrans-61.8-36.6-173.324.2-34.2000113.2F443 T445 G449F443-P447 WeakPolarHBondContact O-CA 3.13Å; T445-P447 VanDerWaalsContact C-CD 3.49Å; P447-G449 VanDerWaalsContact C-N 3.29Å
448E85.6Confident90.7Very high144 Ų14456.8 Ų56.867%0.67330%0.297SS*.THydrogen-bonded Turntrans-93.214.6178-61.6-62.3146.300112.7Y446 R451Y446-E448 VanDerWaalsContact C-N 3.3Å; Y446-E448 PolarHBondContact O-N 2.88Å; E448-R451 IonicContact OE2-NH2 2.61Å
449G87Confident90.5Very high22 Ų2258 Ų5823%0.22730%0.302CS..  trans77.6178-170.500000114Y446 P447 R451Y446-G449 WeakPolarHBondContact O-CA 3.49Å; Y446-G449 PolarHBondContact O-N 2.89Å; P447-G449 VanDerWaalsContact C-N 3.29Å; G449-R451 PolarHBondContact O-N 3.22Å
450F91.7Very high90.4Very high6 Ų656.7 Ų56.73%0.02629%0.294CS..  trans-81.6119.2-177-178.2-105.1000110.5P343 Y344 F347 P421 L422 D425 Y446 I453P343-F450 HydrophobicContact CB-CB 4.4Å; P343-F450 HydrophobicContact CB-CD1 3.91Å; P343-F450 HydrophobicContact CB-CG 4.41Å; P343-F450 HydrophobicContact CG-CD1 4.07Å; P343-F450 HydrophobicContact CG-CE1 4.42Å; Y344-F450 HydrophobicContact CD1-CD1 4.04Å; Y344-F450 HydrophobicContact CD1-CE1 4.33Å; Y344-F450 AromaticContact CE1-CD1 3.86Å; Y344-F450 HydrophobicContact CE1-CD1 3.86Å; Y344-F450 AromaticContact CE1-CE1 3.68Å; Y344-F450 HydrophobicContact CE1-CE1 3.68Å; Y344-F450 HydrophobicContact CE2-CE1 4.27Å; Y344-F450 HydrophobicContact CG-CD1 4.46Å; Y344-F450 AromaticContact CZ-CE1 3.64Å; F347-F450 HydrophobicContact CD2-CB 4.08Å; F347-F450 HydrophobicContact CE2-CB 3.83Å; P421-F450 HydrophobicContact CB-CE1 3.49Å; P421-F450 VanDerWaalsContact CB-CE1 3.49Å; P421-F450 HydrophobicContact CB-CZ 3.83Å; P421-F450 WeakPolarHBondContact O-CZ 2.92Å; L422-F450 HydrophobicContact CB-CD2 4.35Å; L422-F450 HydrophobicContact CB-CG 4.33Å; L422-F450 HydrophobicContact CD1-CB 4.26Å; L422-F450 HydrophobicContact CD1-CD2 3.72Å; L422-F450 HydrophobicContact CD1-CE2 4.34Å; L422-F450 HydrophobicContact CD1-CG 4.12Å; D425-F450 HydrophobicContact CB-CE2 3.86Å; D425-F450 HydrophobicContact CB-CZ 4.41Å; Y446-F450 HydrophobicContact CD1-CD2 4.08Å; Y446-F450 AromaticContact CE1-CD2 3.81Å; Y446-F450 HydrophobicContact CE1-CD2 3.81Å; Y446-F450 HydrophobicContact CE1-CE2 4.3Å; F450-I453 HydrophobicContact CZ-CG1 4.41Å
451R89.8Confident90.5Very high135 Ų13554.5 Ų54.551%0.50929%0.285SS..  trans-104.71.2-179.1-61.8-170.9-179.5-172.42.2114E448 G449 D508E448-R451 IonicContact OE2-NH2 2.61Å; G449-R451 PolarHBondContact O-N 3.22Å; R451-D508 IonicContact NH1-OD1 3.51Å
452G90.4Very high90.3Very high15 Ų1554.6 Ų54.616%0.15529%0.286CS..  trans97.5173-172.100000113I507G452-I507 WeakPolarHBondContact O-CD1 3.3Å
453I91Very high90.3Very high11 Ų1154.6 Ų54.66%0.05629%0.286CS..  trans-89.6124.9-176.4-58.6176.9000109.7D425 F450 L455 I507 K575 Y579D425-I453 HydrophobicContact CB-CD1 3.83Å; D425-I453 HydrophobicContact CB-CG1 3.8Å; D425-I453 WeakPolarHBondContact OD1-CG1 3.24Å; F450-I453 HydrophobicContact CZ-CG1 4.41Å; I453-L455 PolarHBondContact O-N 3.04Å; I453-I507 VanDerWaalsContact C-CD1 3.43Å; I453-I507 VanDerWaalsContact O-CD1 3.23Å; I453-I507 WeakPolarHBondContact O-CD1 3.27Å; I453-K575 HydrophobicContact CD1-CB 3.6Å; I453-K575 HydrophobicContact CD1-CD 4.45Å; I453-K575 WeakPolarHBondContact CD1-O 3.41Å; I453-K575 HydrophobicContact CG2-CD 4.12Å; I453-Y579 PolarHBondContact O-OH 2.92Å; I453-Y579 VanDerWaalsContact O-OH 3.09Å
454K88.3Confident90.5Very high141 Ų14149.7 Ų49.761%0.61327%0.265SS*.  trans-74.7115.3174.7-69.6-174.3176.6-1740109.2I507 D508K454-I507 HydrophobicContact CG-CB 4.15Å; K454-I507 HydrophobicContact CG-CD1 4.13Å; K454-I507 HydrophobicContact CG-CG2 4.26Å; K454-D508 WeakPolarHBondContact CE-OD2 3.28Å; K454-D508 IonicContact NZ-OD2 3.72Å; K454-D508 PolarHBondContact NZ-OD2 3.49Å
455L90.5Very high90.6Very high33 Ų3346 Ų4617%0.17325%0.247CC..  trans-78.3143.3176-60.6-172.5000110.6I453 E459 T460 L463 Y574 K575 Y579I453-L455 PolarHBondContact O-N 3.04Å; L455-E459 HydrophobicContact CB-CB 4.06Å; L455-E459 HydrophobicContact CD2-CB 4.36Å; L455-T460 WeakPolarHBondContact CB-OG1 3.26Å; L455-L463 HydrophobicContact CD1-CD2 4.07Å; L455-Y574 HydrophobicContact CD1-CD1 4.11Å; L455-Y574 HydrophobicContact CD2-CD1 3.79Å; L455-Y574 HydrophobicContact CD2-CE1 3.77Å; L455-K575 HydrophobicContact CD2-CD 4.47Å; L455-Y579 HydrophobicContact CD1-CD1 4.31Å; L455-Y579 HydrophobicContact CD1-CE1 3.77Å; L455-Y579 HydrophobicContact CD1-CE2 4.07Å; L455-Y579 WeakPolarHBondContact CD2-OH 3.36Å; L455-Y579 HydrophobicContact CG-CE1 4.01Å; L455-Y579 WeakPolarHBondContact CG-OH 3.01Å
456S90Very high90.7Very high55 Ų5544.4 Ų44.439%0.38524%0.237SC..  trans-65163.8164.864.40000110.7S458 E459 T460S456-S458 VanDerWaalsContact C-N 3.26Å; S456-S458 PolarHBondContact O-N 2.87Å; S456-E459 WeakPolarHBondContact CB-OE2 3.21Å; S456-E459 PolarHBondContact N-OE2 3Å; S456-E459 PolarHBondContact O-N 2.71Å; S456-E459 WeakPolarHBondContact OG-CB 3.39Å; S456-E459 VanDerWaalsContact OG-CD 3.28Å; S456-E459 VanDerWaalsContact OG-CG 3.23Å; S456-E459 WeakPolarHBondContact OG-CG 3.27Å; S456-E459 PolarHBondContact OG-N 2.83Å; S456-E459 PolarHBondContact OG-OE2 3.48Å; S456-T460 WeakPolarHBondContact O-CB 3.4Å; S456-T460 PolarHBondContact O-N 2.87Å; S456-T460 PolarHBondContact O-OG1 3.04Å
457N87.2Confident90.7Very high111 Ų11143.2 Ų43.259%0.59423%0.233SC*.Hα-helixtrans-58.7-41.6176.4-166.660.2000111.4E459 T460 L461N457-E459 PolarHBondContact O-N 2.9Å; N457-T460 WeakPolarHBondContact O-CB 3.36Å; N457-T460 PolarHBondContact O-N 3.21Å; N457-L461 WeakPolarHBondContact O-CG 3.45Å; N457-L461 PolarHBondContact O-N 2.94Å
458S87.9Confident90.9Very high78 Ų7838.5 Ų38.555%0.54520%0.202SC..Hα-helixtrans-61.8-42.7177.5-171.80000112.5S456 C462S456-S458 VanDerWaalsContact C-N 3.26Å; S456-S458 PolarHBondContact O-N 2.87Å; S458-C462 VanDerWaalsContact O-CB 3.27Å; S458-C462 WeakPolarHBondContact O-CB 3.49Å; S458-C462 PolarHBondContact O-N 3.18Å
459E90.7Very high91.2Very high37 Ų3731.6 Ų31.617%0.17317%0.17CC..Hα-helixtrans-69.6-36.4178.1-71.9166.2137.400112.1L455 S456 N457 C462 L463 Y574 K575L455-E459 HydrophobicContact CB-CB 4.06Å; L455-E459 HydrophobicContact CD2-CB 4.36Å; S456-E459 WeakPolarHBondContact CB-OE2 3.21Å; S456-E459 PolarHBondContact N-OE2 3Å; S456-E459 PolarHBondContact O-N 2.71Å; S456-E459 WeakPolarHBondContact OG-CB 3.39Å; S456-E459 VanDerWaalsContact OG-CD 3.28Å; S456-E459 VanDerWaalsContact OG-CG 3.23Å; S456-E459 WeakPolarHBondContact OG-CG 3.27Å; S456-E459 PolarHBondContact OG-N 2.83Å; S456-E459 PolarHBondContact OG-OE2 3.48Å; N457-E459 PolarHBondContact O-N 2.9Å; E459-C462 PolarHBondContact O-N 2.8Å; E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.04Å; E459-Y574 HydrophobicContact CB-CE1 4.26Å; E459-Y574 HydrophobicContact CG-CE1 4.36Å; E459-Y574 PolarHBondContact OE1-OH 2.91Å; E459-K575 WeakPolarHBondContact OE1-CE 3.39Å; E459-K575 IonicContact OE1-NZ 2.87Å; E459-K575 PolarHBondContact OE1-NZ 3.07Å; E459-K575 IonicContact OE2-NZ 3.13Å
460T91.2Very high91.4Very high5 Ų530.6 Ų30.63%0.03116%0.159CC..Hα-helixtrans-62.5-46.8175.7-57.90000110.8L455 S456 N457 L463 A464 V504L455-T460 WeakPolarHBondContact CB-OG1 3.26Å; S456-T460 WeakPolarHBondContact O-CB 3.4Å; S456-T460 PolarHBondContact O-N 2.87Å; S456-T460 PolarHBondContact O-OG1 3.04Å; N457-T460 WeakPolarHBondContact O-CB 3.36Å; N457-T460 PolarHBondContact O-N 3.21Å; T460-L463 WeakPolarHBondContact O-CB 3.22Å; T460-L463 PolarHBondContact O-N 2.8Å; T460-A464 PolarHBondContact O-N 2.79Å; T460-V504 HydrophobicContact CG2-CB 4.22Å; T460-V504 HydrophobicContact CG2-CG1 3.49Å; T460-V504 VanDerWaalsContact CG2-CG1 3.49Å
461L91.6Very high91.3Very high11 Ų1131.1 Ų31.16%0.05816%0.162CC..Hα-helixtrans-68.5-37.4177-66.9175.2000111.8N457 L463 A464 A465 I530 Y535N457-L461 WeakPolarHBondContact O-CG 3.45Å; N457-L461 PolarHBondContact O-N 2.94Å; L461-L463 PolarHBondContact O-N 2.78Å; L461-A464 WeakPolarHBondContact O-CB 3.47Å; L461-A464 PolarHBondContact O-N 2.82Å; L461-A465 WeakPolarHBondContact O-CB 3.44Å; L461-A465 PolarHBondContact O-N 2.87Å; L461-I530 HydrophobicContact CD2-CG2 3.88Å; L461-Y535 HydrophobicContact CB-CE2 4.27Å; L461-Y535 WeakPolarHBondContact CB-OH 3.37Å
462C92.5Very high91.3Very high3 Ų324.8 Ų24.82%0.0214%0.138CC..Hα-helixtrans-59.4-45.4171.9178.10000111.5S458 E459 A464 A465 V466S458-C462 VanDerWaalsContact O-CB 3.27Å; S458-C462 WeakPolarHBondContact O-CB 3.49Å; S458-C462 PolarHBondContact O-N 3.18Å; E459-C462 PolarHBondContact O-N 2.8Å; C462-A464 VanDerWaalsContact C-N 3.32Å; C462-A464 PolarHBondContact O-N 3.33Å; C462-A465 WeakPolarHBondContact O-CB 3.34Å; C462-A465 PolarHBondContact O-N 3.03Å; C462-V466 WeakPolarHBondContact O-CG2 3.36Å; C462-V466 PolarHBondContact O-N 2.94Å
463L92.7Very high91Very high1 Ų124.9 Ų24.91%0.00513%0.134CC..Hα-helixtrans-60.3-42.1175.2-176.274.3000111.6L455 E459 T460 L461 V466 A467 F559 L572 Y579 L581L455-L463 HydrophobicContact CD1-CD2 4.07Å; E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.04Å; T460-L463 WeakPolarHBondContact O-CB 3.22Å; T460-L463 PolarHBondContact O-N 2.8Å; L461-L463 PolarHBondContact O-N 2.78Å; L463-V466 PolarHBondContact O-N 2.84Å; L463-A467 WeakPolarHBondContact O-CB 3.48Å; L463-A467 PolarHBondContact O-N 3.48Å; L463-F559 HydrophobicContact CD1-CD1 4.03Å; L463-F559 HydrophobicContact CD1-CE1 3.69Å; L463-L572 HydrophobicContact CD1-CB 4.05Å; L463-L572 HydrophobicContact CD1-CD1 3.93Å; L463-Y579 HydrophobicContact CD1-CD2 4.45Å; L463-Y579 HydrophobicContact CD2-CD1 4.12Å; L463-Y579 HydrophobicContact CD2-CD2 3.95Å; L463-Y579 HydrophobicContact CD2-CG 3.59Å; L463-L581 HydrophobicContact CD1-CD1 4.48Å; L463-L581 HydrophobicContact CD2-CD1 4.16Å; L463-L581 HydrophobicContact CD2-CD2 4.2Å; L463-L581 HydrophobicContact CG-CD1 4.08Å; L463-L581 HydrophobicContact CG-CD2 4.04Å
464A94Very high90.6Very high0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-62.9-40.9174.500000112.2T460 L461 C462 A467 S468 V502 V504 I530T460-A464 PolarHBondContact O-N 2.79Å; L461-A464 WeakPolarHBondContact O-CB 3.47Å; L461-A464 PolarHBondContact O-N 2.82Å; C462-A464 VanDerWaalsContact C-N 3.32Å; C462-A464 PolarHBondContact O-N 3.33Å; A464-A467 PolarHBondContact O-N 3.31Å; A464-S468 WeakPolarHBondContact O-CB 3.42Å; A464-S468 PolarHBondContact O-N 2.68Å; A464-S468 PolarHBondContact O-OG 3.39Å; A464-V502 HydrophobicContact CB-CG1 3.91Å; A464-V504 HydrophobicContact CB-CG2 3.69Å; A464-I530 HydrophobicContact CB-CD1 3.75Å
465A94.8Very high90.4Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-63.1-47.7177.200000111.4L461 C462 A467 S468 A469 V528 I530 Y535 I537L461-A465 WeakPolarHBondContact O-CB 3.44Å; L461-A465 PolarHBondContact O-N 2.87Å; C462-A465 WeakPolarHBondContact O-CB 3.34Å; C462-A465 PolarHBondContact O-N 3.03Å; A465-A467 PolarHBondContact O-N 3.4Å; A465-S468 WeakPolarHBondContact O-CB 3.18Å; A465-S468 PolarHBondContact O-N 2.58Å; A465-A469 WeakPolarHBondContact O-CB 3.41Å; A465-A469 PolarHBondContact O-N 3.03Å; A465-V528 HydrophobicContact CB-CB 4.07Å; A465-V528 HydrophobicContact CB-CG1 4.11Å; A465-I530 HydrophobicContact CB-CD1 3.84Å; A465-Y535 HydrophobicContact CB-CD2 4.12Å; A465-Y535 HydrophobicContact CB-CG 3.97Å; A465-I537 HydrophobicContact CB-CD1 4.15Å
466V94.2Very high89.9Confident0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-64.3-42177.4174.20000111.6C462 L463 S468 A469 L470 I537 L550 V552 F559 L572C462-V466 WeakPolarHBondContact O-CG2 3.36Å; C462-V466 PolarHBondContact O-N 2.94Å; L463-V466 PolarHBondContact O-N 2.84Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 2.79Å; V466-A469 PolarHBondContact O-N 3.38Å; V466-L470 HydrophobicContact CG1-CD1 4.02Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.36Å; V466-L470 PolarHBondContact O-N 3.1Å; V466-I537 HydrophobicContact CG2-CD1 4.01Å; V466-L550 HydrophobicContact CG1-CD1 3.86Å; V466-L550 HydrophobicContact CG2-CD1 4.08Å; V466-V552 HydrophobicContact CG2-CG2 4.29Å; V466-F559 HydrophobicContact CB-CE2 4.39Å; V466-F559 HydrophobicContact CB-CZ 4.48Å; V466-F559 HydrophobicContact CG1-CD2 4.17Å; V466-F559 HydrophobicContact CG1-CE2 4.32Å; V466-F559 HydrophobicContact CG1-CG 4.38Å; V466-F559 HydrophobicContact CG2-CD2 4.32Å; V466-F559 HydrophobicContact CG2-CE2 3.69Å; V466-F559 HydrophobicContact CG2-CZ 3.97Å; V466-L572 HydrophobicContact CG1-CD1 4.03Å
467A94.3Very high89.4Confident0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-62.6-40.4175.500000112.1L463 A464 A465 L470 F471 V570 L572 L581 V583L463-A467 WeakPolarHBondContact O-CB 3.48Å; L463-A467 PolarHBondContact O-N 3.48Å; A464-A467 PolarHBondContact O-N 3.31Å; A465-A467 PolarHBondContact O-N 3.4Å; A467-L470 PolarHBondContact O-N 3.46Å; A467-F471 WeakPolarHBondContact O-CB 3.46Å; A467-F471 PolarHBondContact O-N 2.94Å; A467-V570 HydrophobicContact CB-CB 4.49Å; A467-V570 HydrophobicContact CB-CG1 4.29Å; A467-L572 HydrophobicContact CB-CD1 4.14Å; A467-L581 HydrophobicContact CB-CB 4.3Å; A467-L581 HydrophobicContact CB-CD1 4.15Å; A467-L581 HydrophobicContact CB-CD2 3.87Å; A467-L581 HydrophobicContact CB-CG 4.34Å; A467-V583 HydrophobicContact CB-CG2 4.06Å
468S93.5Very high88.9Confident0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-64-46.2176.1-580000112A464 A465 V466 F471 C472 V502 A516A464-S468 WeakPolarHBondContact O-CB 3.42Å; A464-S468 PolarHBondContact O-N 2.68Å; A464-S468 PolarHBondContact O-OG 3.39Å; A465-S468 WeakPolarHBondContact O-CB 3.18Å; A465-S468 PolarHBondContact O-N 2.58Å; V466-S468 VanDerWaalsContact C-N 3.33Å; V466-S468 PolarHBondContact O-N 2.79Å; S468-F471 PolarHBondContact O-N 2.75Å; S468-C472 WeakPolarHBondContact O-CB 3.43Å; S468-C472 PolarHBondContact O-N 2.97Å; S468-V502 WeakPolarHBondContact OG-CG2 3.19Å; S468-A516 VanDerWaalsContact OG-CB 3.27Å; S468-A516 WeakPolarHBondContact OG-CB 3.36Å
469A92.2Very high88.3Confident0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-60.8-46.3177.100000111.5A465 V466 C472 H473 M521 C526 V528 I537 L541A465-A469 WeakPolarHBondContact O-CB 3.41Å; A465-A469 PolarHBondContact O-N 3.03Å; V466-A469 PolarHBondContact O-N 3.38Å; A469-C472 PolarHBondContact O-N 3.48Å; A469-H473 WeakPolarHBondContact O-CB 3.49Å; A469-H473 PolarHBondContact O-N 2.93Å; A469-M521 HydrophobicContact CB-CE 4.23Å; A469-C526 WeakPolarHBondContact CB-SG 3.35Å; A469-V528 HydrophobicContact CB-CG2 4.12Å; A469-I537 HydrophobicContact CB-CD1 3.86Å; A469-L541 HydrophobicContact CB-CD1 3.77Å
470L90.9Very high87.3Confident1 Ų125.2 Ų25.21%0.00511%0.112CC..Hα-helixtrans-60.9-51175.3-75.4168.7000111.3V466 A467 C472 H473 H474 L541 F543 L548 I561 L572V466-L470 HydrophobicContact CG1-CD1 4.02Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.36Å; V466-L470 PolarHBondContact O-N 3.1Å; A467-L470 PolarHBondContact O-N 3.46Å; L470-C472 VanDerWaalsContact C-N 3.32Å; L470-C472 PolarHBondContact O-N 3.24Å; L470-H473 PolarHBondContact O-N 3.49Å; L470-H474 PolarHBondContact O-N 2.99Å; L470-L541 HydrophobicContact CD2-CB 4.11Å; L470-L541 HydrophobicContact CD2-CD2 3.95Å; L470-L541 HydrophobicContact CG-CD2 4.2Å; L470-F543 HydrophobicContact CD2-CE1 4.34Å; L470-F543 VanDerWaalsContact O-CZ 3.26Å; L470-F543 WeakPolarHBondContact O-CZ 3.46Å; L470-L548 HydrophobicContact CD1-CD1 3.84Å; L470-L548 HydrophobicContact CD2-CD1 3.97Å; L470-L548 HydrophobicContact CG-CD1 4.39Å; L470-I561 HydrophobicContact CD1-CG1 4.38Å; L470-I561 HydrophobicContact CD2-CD1 4.01Å; L470-L572 HydrophobicContact CD1-CD1 4.27Å; L470-L572 HydrophobicContact CD1-CD2 3.64Å
471F90.2Very high86.3Confident17 Ų1732.7 Ų32.78%0.07514%0.144CC..Hα-helixtrans-61.7-41.8179.6-174.6-98.6000111.9A467 S468 H473 H474 Y475 F500 V570 V583A467-F471 WeakPolarHBondContact O-CB 3.46Å; A467-F471 PolarHBondContact O-N 2.94Å; S468-F471 PolarHBondContact O-N 2.75Å; F471-H473 PolarHBondContact O-N 3.48Å; F471-H474 WeakPolarHBondContact O-CB 3.43Å; F471-H474 PolarHBondContact O-N 2.73Å; F471-Y475 VanDerWaalsContact O-CB 3.29Å; F471-Y475 WeakPolarHBondContact O-CB 3.32Å; F471-Y475 PolarHBondContact O-N 3.43Å; F471-F500 AromaticContact CD1-CD1 3.93Å; F471-F500 HydrophobicContact CD1-CD1 3.93Å; F471-F500 AromaticContact CD1-CE1 3.79Å; F471-F500 HydrophobicContact CD1-CE1 3.79Å; F471-F500 HydrophobicContact CD1-CZ 4.29Å; F471-F500 HydrophobicContact CE1-CD1 4Å; F471-F500 AromaticContact CE1-CE1 3.78Å; F471-F500 HydrophobicContact CE1-CE1 3.78Å; F471-V570 HydrophobicContact CB-CG2 4.32Å; F471-V570 HydrophobicContact CD2-CG2 4.36Å; F471-V583 HydrophobicContact CB-CB 3.86Å; F471-V583 HydrophobicContact CB-CG1 3.73Å; F471-V583 HydrophobicContact CB-CG2 4.21Å; F471-V583 HydrophobicContact CD1-CB 4.06Å; F471-V583 HydrophobicContact CD1-CG1 3.57Å; F471-V583 HydrophobicContact CD2-CB 4.33Å; F471-V583 HydrophobicContact CE1-CG1 4.38Å; F471-V583 HydrophobicContact CG-CB 3.81Å; F471-V583 HydrophobicContact CG-CG1 3.74Å
472C89.1Confident84.9Confident1 Ų138.3 Ų38.31%0.00717%0.174CC..Hα-helixtrans-58.7-47174.7-173.60000111.2S468 A469 L470 H474 Y475 L476 F500 V518 M521S468-C472 WeakPolarHBondContact O-CB 3.43Å; S468-C472 PolarHBondContact O-N 2.97Å; A469-C472 PolarHBondContact O-N 3.48Å; L470-C472 VanDerWaalsContact C-N 3.32Å; L470-C472 PolarHBondContact O-N 3.24Å; C472-H474 VanDerWaalsContact C-N 3.3Å; C472-H474 PolarHBondContact O-N 2.66Å; C472-Y475 PolarHBondContact O-N 3.17Å; C472-L476 WeakPolarHBondContact O-CB 3.42Å; C472-L476 WeakPolarHBondContact O-CG 3.25Å; C472-L476 PolarHBondContact O-N 2.9Å; C472-F500 HydrophobicContact CB-CE2 3.56Å; C472-F500 HydrophobicContact CB-CZ 4.03Å; C472-V518 HydrophobicContact CB-CB 4.27Å; C472-V518 HydrophobicContact CB-CG1 4.04Å; C472-V518 HydrophobicContact CB-CG2 4.14Å; C472-M521 HydrophobicContact CB-CE 4.12Å
473H84.6Confident83.3Confident17 Ų1739.7 Ų39.78%0.07918%0.181CC..Hα-helixtrans-60.7-39.6176.8-168.4-111.8000111.7A469 L470 F471 R477 M521 W523 L541 F543A469-H473 WeakPolarHBondContact O-CB 3.49Å; A469-H473 PolarHBondContact O-N 2.93Å; L470-H473 PolarHBondContact O-N 3.49Å; F471-H473 PolarHBondContact O-N 3.48Å; H473-R477 VanDerWaalsContact O-CB 3.26Å; H473-R477 WeakPolarHBondContact O-CB 3.3Å; H473-R477 PolarHBondContact O-N 3.42Å; H473-R477 VanDerWaalsContact O-N 3.08Å; H473-M521 HydrophobicContact CB-SD 4.39Å; H473-W523 AromaticContact CE1-CE3 3.8Å; H473-W523 AromaticContact CE1-CZ3 3.57Å; H473-W523 AromaticContact NE2-CE3 3.48Å; H473-W523 AromaticContact NE2-CZ3 3.51Å; H473-L541 PolarHBondContact ND1-O 3.31Å; H473-F543 HydrophobicContact CB-CE2 4.33Å; H473-F543 HydrophobicContact CB-CZ 4.42Å; H473-F543 AromaticContact ND1-CD2 3.99Å; H473-F543 AromaticContact ND1-CE2 3.35Å; H473-F543 VanDerWaalsContact ND1-CE2 3.35Å; H473-F543 WeakPolarHBondContact ND1-CE2 3.43Å
474H83.2Confident81.3Confident40 Ų4045 Ų4519%0.18521%0.214CC..Hα-helixtrans-63-48.5173.1-17175.1000111.9L470 F471 C472 R477 A478 F543L470-H474 PolarHBondContact O-N 2.99Å; F471-H474 WeakPolarHBondContact O-CB 3.43Å; F471-H474 PolarHBondContact O-N 2.73Å; C472-H474 VanDerWaalsContact C-N 3.3Å; C472-H474 PolarHBondContact O-N 2.66Å; H474-R477 PolarHBondContact O-N 3.18Å; H474-A478 WeakPolarHBondContact O-CB 3.46Å; H474-A478 PolarHBondContact O-N 2.89Å; H474-F543 HydrophobicContact CB-CE1 4.22Å; H474-F543 HydrophobicContact CB-CE2 4.11Å; H474-F543 HydrophobicContact CB-CZ 3.53Å
475Y82.5Confident79.4Confident80 Ų8048.8 Ų48.831%0.31425%0.252SS..Hα-helixtrans-62-49.5-178.1175.6-106.4000111.8F471 C472 R477 A478 I479 F500F471-Y475 VanDerWaalsContact O-CB 3.29Å; F471-Y475 WeakPolarHBondContact O-CB 3.32Å; F471-Y475 PolarHBondContact O-N 3.43Å; C472-Y475 PolarHBondContact O-N 3.17Å; Y475-R477 VanDerWaalsContact C-N 3.34Å; Y475-R477 PolarHBondContact O-N 2.99Å; Y475-A478 WeakPolarHBondContact O-CB 3.18Å; Y475-A478 PolarHBondContact O-N 3.08Å; Y475-I479 HydrophobicContact CD1-CD1 3.81Å; Y475-I479 HydrophobicContact CD2-CD1 4.42Å; Y475-I479 HydrophobicContact CE1-CD1 3.3Å; Y475-I479 HydrophobicContact CE1-CG1 4.47Å; Y475-I479 HydrophobicContact CE2-CD1 3.98Å; Y475-I479 HydrophobicContact CE2-CG1 4.49Å; Y475-I479 HydrophobicContact CG-CD1 4.35Å; Y475-I479 WeakPolarHBondContact O-CG1 3.46Å; Y475-I479 PolarHBondContact O-N 3.22Å; Y475-F500 HydrophobicContact CD1-CE1 4.49Å; Y475-F500 HydrophobicContact CD1-CZ 4.18Å
476L81Confident77Confident11 Ų1154.8 Ų54.86%0.05828%0.275CS..Hα-helixtrans-64.6-38.4177.5-66.6-177.1000111.8C472 A478 I479 R480 V494 Q498 M521C472-L476 WeakPolarHBondContact O-CB 3.42Å; C472-L476 WeakPolarHBondContact O-CG 3.25Å; C472-L476 PolarHBondContact O-N 2.9Å; L476-A478 VanDerWaalsContact C-N 3.34Å; L476-I479 PolarHBondContact O-N 2.78Å; L476-R480 WeakPolarHBondContact O-CB 3.32Å; L476-R480 VanDerWaalsContact O-CG 3.29Å; L476-R480 WeakPolarHBondContact O-CG 3.13Å; L476-R480 PolarHBondContact O-N 3.45Å; L476-V494 HydrophobicContact CD2-CG1 4.27Å; L476-Q498 HydrophobicContact CD2-CG 4.18Å; L476-M521 HydrophobicContact CD1-CB 4.49Å; L476-M521 HydrophobicContact CD1-CG 4.3Å
477R78.4Confident74.8Confident135 Ų13564.1 Ų64.151%0.50932%0.318SS..Hα-helixtrans-62-43.2173.5-167.8-178.790167.36.7111.3H473 H474 Y475 R480 F481H473-R477 VanDerWaalsContact O-CB 3.26Å; H473-R477 WeakPolarHBondContact O-CB 3.3Å; H473-R477 PolarHBondContact O-N 3.42Å; H473-R477 VanDerWaalsContact O-N 3.08Å; H474-R477 PolarHBondContact O-N 3.18Å; Y475-R477 VanDerWaalsContact C-N 3.34Å; Y475-R477 PolarHBondContact O-N 2.99Å; R477-R480 PolarHBondContact O-N 2.84Å; R477-F481 WeakPolarHBondContact O-CB 3.09Å; R477-F481 PolarHBondContact O-N 3.44Å
478A78.3Confident72.6Confident38 Ų3871 Ų7131%0.31436%0.355SS..Hα-helixtrans-63.7-44.5177.300000111.8H474 Y475 L476 F481 L482H474-A478 WeakPolarHBondContact O-CB 3.46Å; H474-A478 PolarHBondContact O-N 2.89Å; Y475-A478 WeakPolarHBondContact O-CB 3.18Å; Y475-A478 PolarHBondContact O-N 3.08Å; L476-A478 VanDerWaalsContact C-N 3.34Å; A478-F481 PolarHBondContact O-N 2.97Å; A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 VanDerWaalsContact O-CG 3.28Å; A478-L482 WeakPolarHBondContact O-CG 3.5Å; A478-L482 PolarHBondContact O-N 2.99Å
479I74Confident70.1Confident38 Ų3876 Ų7620%0.19538%0.377CS..Hα-helixtrans-58.4-50.7174.3-71.8174.7000110.8Y475 L476 F481 L482 N483 V494Y475-I479 HydrophobicContact CD1-CD1 3.81Å; Y475-I479 HydrophobicContact CD2-CD1 4.42Å; Y475-I479 HydrophobicContact CE1-CD1 3.3Å; Y475-I479 HydrophobicContact CE1-CG1 4.47Å; Y475-I479 HydrophobicContact CE2-CD1 3.98Å; Y475-I479 HydrophobicContact CE2-CG1 4.49Å; Y475-I479 HydrophobicContact CG-CD1 4.35Å; Y475-I479 WeakPolarHBondContact O-CG1 3.46Å; Y475-I479 PolarHBondContact O-N 3.22Å; L476-I479 PolarHBondContact O-N 2.78Å; I479-F481 VanDerWaalsContact C-N 3.31Å; I479-F481 PolarHBondContact O-N 3.04Å; I479-L482 PolarHBondContact O-N 3.04Å; I479-N483 WeakPolarHBondContact CG2-ND2 3.12Å; I479-N483 VanDerWaalsContact O-CB 3.29Å; I479-N483 WeakPolarHBondContact O-CB 3.45Å; I479-N483 PolarHBondContact O-N 3.29Å; I479-N483 PolarHBondContact O-ND2 3.26Å; I479-N483 VanDerWaalsContact O-ND2 3.08Å; I479-V494 HydrophobicContact CG2-CG2 4.47Å
480R70.4Confident67.7Low132 Ų13279.3 Ų79.350%0.49840%0.399SS..Hα-helixtrans-57.5-45.9179.2-74.4174.4-175.9176.93.4111.1L476 R477 N483 T484L476-R480 WeakPolarHBondContact O-CB 3.32Å; L476-R480 VanDerWaalsContact O-CG 3.29Å; L476-R480 WeakPolarHBondContact O-CG 3.13Å; L476-R480 PolarHBondContact O-N 3.45Å; R477-R480 PolarHBondContact O-N 2.84Å; R480-N483 PolarHBondContact O-N 3.38Å; R480-T484 PolarHBondContact O-N 3.17Å; R480-T484 PolarHBondContact O-OG1 2.91Å; R480-T484 VanDerWaalsContact O-OG1 3.09Å
481F69.4Low65.6Low161 Ų16189.8 Ų89.871%0.70644%0.439SS*.Hα-helixtrans-65.8-43179.5-179.2-99000113.1R477 A478 I479 N483 T484R477-F481 WeakPolarHBondContact O-CB 3.09Å; R477-F481 PolarHBondContact O-N 3.44Å; A478-F481 PolarHBondContact O-N 2.97Å; I479-F481 VanDerWaalsContact C-N 3.31Å; I479-F481 PolarHBondContact O-N 3.04Å; F481-N483 VanDerWaalsContact C-N 3.27Å; F481-N483 PolarHBondContact O-N 3.14Å; F481-T484 VanDerWaalsContact C-OG1 3.28Å; F481-T484 WeakPolarHBondContact CA-OG1 3.33Å; F481-T484 PolarHBondContact O-OG1 3.31Å
482L62.9Low63.5Low129 Ų12991.8 Ų91.868%0.67546%0.455SS*.Hα-helixtrans-69.2-27.6178.8-71.4172.2000112.6A478 I479A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 VanDerWaalsContact O-CG 3.28Å; A478-L482 WeakPolarHBondContact O-CG 3.5Å; A478-L482 PolarHBondContact O-N 2.99Å; I479-L482 PolarHBondContact O-N 3.04Å
483N59.1Low61.5Low32 Ų3296.6 Ų96.617%0.17148%0.48CS..Hα-helixtrans-96.4-3.7-178.6-66-38.4000114.1I479 R480 F481 G485 R486 F489I479-N483 WeakPolarHBondContact CG2-ND2 3.12Å; I479-N483 VanDerWaalsContact O-CB 3.29Å; I479-N483 WeakPolarHBondContact O-CB 3.45Å; I479-N483 PolarHBondContact O-N 3.29Å; I479-N483 PolarHBondContact O-ND2 3.26Å; I479-N483 VanDerWaalsContact O-ND2 3.08Å; R480-N483 PolarHBondContact O-N 3.38Å; F481-N483 VanDerWaalsContact C-N 3.27Å; F481-N483 PolarHBondContact O-N 3.14Å; N483-G485 PolarHBondContact O-N 3.25Å; N483-R486 PolarHBondContact O-N 3.08Å; N483-F489 HydrophobicContact CB-CD2 4.13Å; N483-F489 WeakPolarHBondContact ND2-CD2 3.02Å; N483-F489 VanDerWaalsContact ND2-CE2 3.34Å; N483-F489 WeakPolarHBondContact ND2-CE2 3.46Å; N483-F489 WeakPolarHBondContact OD1-CD2 3.47Å; N483-F489 WeakPolarHBondContact OD1-CE2 3.36Å
484T51.3Low59.9Low114 Ų11497.5 Ų97.570%0.69949%0.487SS*.THydrogen-bonded Turntrans-56.9110.8171.7-4.70000110.5R480 F481R480-T484 PolarHBondContact O-N 3.17Å; R480-T484 PolarHBondContact O-OG1 2.91Å; R480-T484 VanDerWaalsContact O-OG1 3.09Å; F481-T484 VanDerWaalsContact C-OG1 3.28Å; F481-T484 WeakPolarHBondContact CA-OG1 3.33Å; F481-T484 PolarHBondContact O-OG1 3.31Å
485G53.2Low58.6Low78 Ų78103.4 Ų103.480%0.80452%0.515SS*.THydrogen-bonded Turntrans103.7-4-177.500000115.7N483N483-G485 PolarHBondContact O-N 3.25Å
486R43.7Very low57.9Low127 Ų127101.6 Ų101.648%0.47952%0.52SS..  trans-115.3108.5169.9-66.3-179.5176.2-173.4-4.1108.1N483 L488 R718N483-R486 PolarHBondContact O-N 3.08Å; R486-L488 HydrophobicContact CB-CB 4.46Å; R486-L488 PolarHBondContact O-N 3.47Å; R486-R718 VanDerWaalsContact NH2-NH1 3.12Å
487E49.3Very low57.9Low195 Ų195103.4 Ų103.491%0.91153%0.534SS*.THydrogen-bonded Turntrans-63.94172.9-71.4-176.8163.400113.6F489E487-F489 VanDerWaalsContact C-N 3.25Å; E487-F489 PolarHBondContact O-N 2.85Å
488L47.3Very low58.3Low146 Ų14698.7 Ų98.776%0.76452%0.518SS*.THydrogen-bonded Turntrans-68.6-15.8-174.4-84.7156.5000114.9R486R486-L488 HydrophobicContact CB-CB 4.46Å; R486-L488 PolarHBondContact O-N 3.47Å
489F41.6Very low58.8Low105 Ų105103.9 Ų103.946%0.46153%0.529SS..SBendtrans-104.4102.6168-73.1-84000108.5N483 E487 R491 D493N483-F489 HydrophobicContact CB-CD2 4.13Å; N483-F489 WeakPolarHBondContact ND2-CD2 3.02Å; N483-F489 VanDerWaalsContact ND2-CE2 3.34Å; N483-F489 WeakPolarHBondContact ND2-CE2 3.46Å; N483-F489 WeakPolarHBondContact OD1-CD2 3.47Å; N483-F489 WeakPolarHBondContact OD1-CE2 3.36Å; E487-F489 VanDerWaalsContact C-N 3.25Å; E487-F489 PolarHBondContact O-N 2.85Å; F489-R491 PolarHBondContact O-N 2.79Å; F489-D493 HydrophobicContact CD1-CB 4.37Å
490S41.5Very low59.7Low68 Ų68102.2 Ų102.248%0.47652%0.521SS..  trans-45133.4158.3169.20000107.8S492 D493S490-S492 VanDerWaalsContact CB-OG 3.29Å; S490-S492 WeakPolarHBondContact CB-OG 3.37Å; S490-S492 PolarHBondContact O-N 3.05Å; S490-S492 WeakPolarHBondContact OG-CB 2.96Å; S490-S492 PolarHBondContact OG-N 2.79Å; S490-S492 VanDerWaalsContact OG-N 3.16Å; S490-S492 PolarHBondContact OG-OG 2.98Å; S490-D493 PolarHBondContact O-N 2.77Å; S490-D493 VanDerWaalsContact O-N 3.13Å
491R45.8Very low60.7Low222 Ų22296.2 Ų96.284%0.83850%0.499SS*.G310 helixtrans-49.2-20.4172-84.8178.4168.5172.2-3.8112.4F489 V494 Q495F489-R491 PolarHBondContact O-N 2.79Å; R491-V494 PolarHBondContact O-N 2.82Å; R491-Q495 PolarHBondContact O-N 2.91Å
492S46.2Very low61.9Low58 Ų5888.5 Ų88.541%0.40647%0.466SS..G310 helixtrans-61.5-39177.563.50000114.6S490 V494 Q495S490-S492 VanDerWaalsContact CB-OG 3.29Å; S490-S492 WeakPolarHBondContact CB-OG 3.37Å; S490-S492 PolarHBondContact O-N 3.05Å; S490-S492 WeakPolarHBondContact OG-CB 2.96Å; S490-S492 PolarHBondContact OG-N 2.79Å; S490-S492 VanDerWaalsContact OG-N 3.16Å; S490-S492 PolarHBondContact OG-OG 2.98Å; S492-V494 PolarHBondContact O-N 3.15Å; S492-Q495 WeakPolarHBondContact O-CB 3.35Å; S492-Q495 PolarHBondContact O-N 3.11Å
493D47.1Very low63.3Low102 Ų10283.8 Ų83.855%0.54544%0.441SS..G310 helixtrans-69.9-22.1-175.5-70.4-10.1000112.2F489 S490F489-D493 HydrophobicContact CD1-CB 4.37Å; S490-D493 PolarHBondContact O-N 2.77Å; S490-D493 VanDerWaalsContact O-N 3.13Å
494V52.4Low64.8Low36 Ų3682.3 Ų82.322%0.21843%0.433CS..G310 helixtrans-86.2-14.2174.5-176.80000111.7L476 I479 R491 S492L476-V494 HydrophobicContact CD2-CG1 4.27Å; I479-V494 HydrophobicContact CG2-CG2 4.47Å; R491-V494 PolarHBondContact O-N 2.82Å; S492-V494 PolarHBondContact O-N 3.15Å
495Q54.9Low66.5Low164 Ų16478.9 Ų78.977%0.76641%0.413SS*.THydrogen-bonded Turntrans-85.3-14.2178.6-80.8-179.8-21.200113.7R491 S492R491-Q495 PolarHBondContact O-N 2.91Å; S492-Q495 WeakPolarHBondContact O-CB 3.35Å; S492-Q495 PolarHBondContact O-N 3.11Å
496G68.3Low67.9Low42 Ų4277.7 Ų77.743%0.43339%0.386SS..SBendtrans-74.4158.7177.600000114.1Q498G496-Q498 PolarHBondContact O-NE2 3.22Å; G496-Q498 VanDerWaalsContact O-NE2 3.14Å
497S81Confident69.5Low50 Ų5073.6 Ų73.635%0.3537%0.373SS..  trans-60.8139.8171.765.10000111.1E517 V518S497-E517 WeakPolarHBondContact CB-OE1 3.29Å; S497-E517 PolarHBondContact OG-OE1 2.86Å; S497-V518 WeakPolarHBondContact CA-O 3.29Å
498Q86.1Confident70.7Confident36 Ų3669.2 Ų69.217%0.16836%0.356CS..EExtended strand (participates in β ladder)trans-105126.6178-59-58.9-54.800109.7L476 G496 F500 E517 V518L476-Q498 HydrophobicContact CD2-CG 4.18Å; G496-Q498 PolarHBondContact O-NE2 3.22Å; G496-Q498 VanDerWaalsContact O-NE2 3.14Å; Q498-F500 HydrophobicContact CB-CD2 4.42Å; Q498-F500 HydrophobicContact CB-CE2 3.49Å; Q498-F500 VanDerWaalsContact CB-CE2 3.49Å; Q498-F500 HydrophobicContact CB-CZ 3.73Å; Q498-E517 WeakPolarHBondContact O-CA 3.3Å; Q498-V518 PolarHBondContact N-O 3.08Å; Q498-V518 PolarHBondContact O-N 3.24Å
499R89.9Confident72.3Confident147 Ų14769.4 Ų69.456%0.55535%0.351SS*.EExtended strand (participates in β ladder)trans-105123.4-178.4-65.7-177.5-177.5-178.9-1.8111.8A516 E517 A586R499-A516 WeakPolarHBondContact CA-O 3.3Å; R499-E517 HydrophobicContact CG-CB 4.24Å; R499-E517 HydrophobicContact CG-CG 4.01Å; R499-E517 IonicContact CZ-OE1 3.75Å; R499-E517 IonicContact NE-OE1 3.66Å; R499-E517 PolarHBondContact NE-OE1 2.93Å; R499-E517 IonicContact NH2-OE1 2.68Å; R499-E517 PolarHBondContact NH2-OE1 2.84Å; R499-A586 PolarHBondContact O-N 3.09Å
500F91.5Very high74.2Confident2 Ų269.9 Ų69.91%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-124.4148.2178.6-56-74.2000110.7F471 C472 Y475 Q498 A516 V518 V583 L584 N585F471-F500 AromaticContact CD1-CD1 3.93Å; F471-F500 HydrophobicContact CD1-CD1 3.93Å; F471-F500 AromaticContact CD1-CE1 3.79Å; F471-F500 HydrophobicContact CD1-CE1 3.79Å; F471-F500 HydrophobicContact CD1-CZ 4.29Å; F471-F500 HydrophobicContact CE1-CD1 4Å; F471-F500 AromaticContact CE1-CE1 3.78Å; F471-F500 HydrophobicContact CE1-CE1 3.78Å; C472-F500 HydrophobicContact CB-CE2 3.56Å; C472-F500 HydrophobicContact CB-CZ 4.03Å; Y475-F500 HydrophobicContact CD1-CE1 4.49Å; Y475-F500 HydrophobicContact CD1-CZ 4.18Å; Q498-F500 HydrophobicContact CB-CD2 4.42Å; Q498-F500 HydrophobicContact CB-CE2 3.49Å; Q498-F500 VanDerWaalsContact CB-CE2 3.49Å; Q498-F500 HydrophobicContact CB-CZ 3.73Å; F500-A516 PolarHBondContact N-O 3.22Å; F500-A516 PolarHBondContact O-N 3.44Å; F500-V518 HydrophobicContact CD2-CG2 4.06Å; F500-V518 HydrophobicContact CE2-CG2 4.16Å; F500-V583 HydrophobicContact CB-CG1 3.71Å; F500-V583 HydrophobicContact CD1-CG1 4.26Å; F500-V583 HydrophobicContact CG-CG1 3.96Å; F500-L584 CarbonylContact C-O 3.47Å; F500-L584 WeakPolarHBondContact CA-O 3.43Å; F500-L584 WeakPolarHBondContact CB-O 2.95Å; F500-N585 HydrophobicContact CD1-CB 4.46Å
501A92.5Very high76.3Confident6 Ų671.1 Ų71.15%0.0537%0.369CS..EExtended strand (participates in β ladder)trans-94.6137.3161.300000108.4H514 V583 L584 H589A501-H514 CarbonylContact C-O 2.99Å; A501-H514 WeakPolarHBondContact CA-O 3.08Å; A501-V583 WeakPolarHBondContact O-CA 3.25Å; A501-L584 PolarHBondContact N-O 3.04Å; A501-L584 PolarHBondContact O-N 3.43Å; A501-H589 HydrophobicContact CB-CB 3.48Å; A501-H589 VanDerWaalsContact CB-CB 3.48Å
502V93.8Very high78.3Confident0 Ų062 Ų620%034%0.339CS..EExtended strand (participates in β ladder)trans-125.3112.5-174.4-171.40000109A464 S468 V504 S513 H514 A516 L581 K582 V583A464-V502 HydrophobicContact CB-CG1 3.91Å; S468-V502 WeakPolarHBondContact OG-CG2 3.19Å; V502-V504 HydrophobicContact CG1-CG2 4.05Å; V502-S513 WeakPolarHBondContact O-CA 3.29Å; V502-H514 PolarHBondContact N-O 2.95Å; V502-H514 PolarHBondContact O-N 2.76Å; V502-A516 HydrophobicContact CG2-CB 3.75Å; V502-L581 HydrophobicContact CG1-CD2 4.23Å; V502-K582 WeakPolarHBondContact CA-O 3.46Å; V502-V583 HydrophobicContact CG1-CG2 4.13Å; V502-V583 HydrophobicContact CG2-CG1 4.31Å; V502-V583 HydrophobicContact CG2-CG2 4.46Å
503D92.6Very high80.4Confident30 Ų3062 Ų6216%0.1634%0.34CS..EExtended strand (participates in β ladder)trans-88.3122.1173.2-56.9-25.7000108.9V511 S512 S513 L581 K582 H589D503-V511 HydrophobicContact CB-CG1 3.7Å; D503-S512 CarbonylContact C-O 3.55Å; D503-S512 WeakPolarHBondContact CA-O 3.08Å; D503-S513 WeakPolarHBondContact OD1-CB 2.97Å; D503-S513 PolarHBondContact OD1-OG 2.75Å; D503-L581 WeakPolarHBondContact O-CA 3.47Å; D503-K582 HydrophobicContact CB-CB 4.08Å; D503-K582 PolarHBondContact N-O 3.49Å; D503-K582 PolarHBondContact O-N 2.96Å; D503-H589 IonicContact OD1-CE1 3.07Å; D503-H589 PolarHBondContact OD1-CE1 2.72Å; D503-H589 IonicContact OD1-ND1 2.72Å; D503-H589 IonicContact OD2-CE1 3.69Å; D503-H589 IonicContact OD2-ND1 2.91Å
504V90.7Very high82.5Confident1 Ų158.2 Ų58.21%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-115124.7-175.1-165.60000109.8T460 A464 V502 H506 V511 S512 L581T460-V504 HydrophobicContact CG2-CB 4.22Å; T460-V504 HydrophobicContact CG2-CG1 3.49Å; T460-V504 VanDerWaalsContact CG2-CG1 3.49Å; A464-V504 HydrophobicContact CB-CG2 3.69Å; V502-V504 HydrophobicContact CG1-CG2 4.05Å; V504-H506 PolarHBondContact O-CD2 2.91Å; V504-V511 WeakPolarHBondContact O-CA 2.94Å; V504-V511 WeakPolarHBondContact O-CG1 3.49Å; V504-S512 PolarHBondContact N-O 2.86Å; V504-S512 PolarHBondContact O-N 3.25Å; V504-S512 VanDerWaalsContact O-N 3.08Å; V504-L581 HydrophobicContact CB-CD2 4.49Å; V504-L581 HydrophobicContact CG1-CD2 4.05Å; V504-L581 HydrophobicContact CG2-CD2 4.15Å
505P86.7Confident84.4Confident41 Ų4160.9 Ų60.927%0.26633%0.331SS..  trans-76.6145.2177.333.3-35.8000110.9E580P505-E580 VanDerWaalsContact CD-O 3.3Å; P505-E580 WeakPolarHBondContact CD-O 3.34Å; P505-E580 VanDerWaalsContact CG-O 3.3Å; P505-E580 WeakPolarHBondContact CG-O 3.14Å
506H83.6Confident86.2Confident53 Ų5353.1 Ų53.125%0.24530%0.295CS..  trans-121.7150.8174.4-68.1-93.7000110.4V504 K509 S512V504-H506 PolarHBondContact O-CD2 2.91Å; H506-K509 HydrophobicContact CB-CB 3.71Å; H506-S512 PolarHBondContact NE2-OG 3.45Å
507I76.9Confident87.4Confident42 Ų4252.5 Ų52.522%0.21528%0.28CS..SBendtrans-76127.5167.7-58.1179.9000107.8G452 I453 K454 K509G452-I507 WeakPolarHBondContact O-CD1 3.3Å; I453-I507 VanDerWaalsContact C-CD1 3.43Å; I453-I507 VanDerWaalsContact O-CD1 3.23Å; I453-I507 WeakPolarHBondContact O-CD1 3.27Å; K454-I507 HydrophobicContact CG-CB 4.15Å; K454-I507 HydrophobicContact CG-CD1 4.13Å; K454-I507 HydrophobicContact CG-CG2 4.26Å; I507-K509 PolarHBondContact O-N 2.89Å; I507-K509 VanDerWaalsContact O-N 3.13Å
508D75.2Confident87.9Confident103 Ų10350.3 Ų50.355%0.55127%0.265SS*.SBendtrans61.911178.2-48.3-42.8000116R451 K454R451-D508 IonicContact NH1-OD1 3.51Å; K454-D508 WeakPolarHBondContact CE-OD2 3.28Å; K454-D508 IonicContact NZ-OD2 3.72Å; K454-D508 PolarHBondContact NZ-OD2 3.49Å
509K80.3Confident88.1Confident149 Ų14951.6 Ų51.665%0.64827%0.27SS*.SBendtrans-129.8154.7175.3-59.5179-178.1177.40110.9H506 I507H506-K509 HydrophobicContact CB-CB 3.71Å; I507-K509 PolarHBondContact O-N 2.89Å; I507-K509 VanDerWaalsContact O-N 3.13Å
510P81.9Confident87.7Confident115 Ų11551 Ų5175%0.74727%0.273SS*.PPolyproline II helixtrans-55.7153.3169.2-22.233.4000111.5S512P510-S512 PolarHBondContact O-N 2.84Å
511V85.8Confident87.3Confident94 Ų9453 Ų5357%0.5728%0.283SS*.PPolyproline II helixtrans-57130.6172.6176.30000109.2D503 V504D503-V511 HydrophobicContact CB-CG1 3.7Å; V504-V511 WeakPolarHBondContact O-CA 2.94Å; V504-V511 WeakPolarHBondContact O-CG1 3.49Å
512S87.5Confident86.8Confident31 Ų3154.9 Ų54.922%0.21730%0.296CS..EExtended strand (participates in β ladder)trans-96.4149.4172.465.60000110D503 V504 H506 P510 H514D503-S512 CarbonylContact C-O 3.55Å; D503-S512 WeakPolarHBondContact CA-O 3.08Å; V504-S512 PolarHBondContact N-O 2.86Å; V504-S512 PolarHBondContact O-N 3.25Å; V504-S512 VanDerWaalsContact O-N 3.08Å; H506-S512 PolarHBondContact NE2-OG 3.45Å; P510-S512 PolarHBondContact O-N 2.84Å; S512-H514 WeakPolarHBondContact CB-NE2 3.3Å; S512-H514 PolarHBondContact OG-NE2 2.88Å
513S89.8Confident85.7Confident59 Ų5962.9 Ų62.941%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-119.8132.8177.3-161.40000110.1V502 D503 H589V502-S513 WeakPolarHBondContact O-CA 3.29Å; D503-S513 WeakPolarHBondContact OD1-CB 2.97Å; D503-S513 PolarHBondContact OD1-OG 2.75Å; S513-H589 PolarHBondContact OG-CE1 2.77Å
514H91.6Very high85.3Confident22 Ų2268.3 Ų68.310%0.10235%0.351CS..EExtended strand (participates in β ladder)trans-128.6146.9-175.5-57.2-90.1000111A501 V502 S512 I530 D531A501-H514 CarbonylContact C-O 2.99Å; A501-H514 WeakPolarHBondContact CA-O 3.08Å; V502-H514 PolarHBondContact N-O 2.95Å; V502-H514 PolarHBondContact O-N 2.76Å; S512-H514 WeakPolarHBondContact CB-NE2 3.3Å; S512-H514 PolarHBondContact OG-NE2 2.88Å; H514-I530 HydrophobicContact CB-CG2 3.65Å; H514-D531 IonicContact CE1-OD2 3.83Å; H514-D531 IonicContact CG-OD2 3.79Å; H514-D531 IonicContact ND1-OD1 3.08Å; H514-D531 IonicContact ND1-OD2 3.56Å; H514-D531 PolarHBondContact ND1-OD2 3.11Å
515L91.6Very high85.3Confident92 Ų9270.7 Ų70.748%0.48237%0.367SS..EExtended strand (participates in β ladder)trans-91.9115.9175.1-171.871.9000109.5A586L515-A586 HydrophobicContact CD1-CB 4.46Å
516A92.6Very high85.5Confident0 Ų068.9 Ų68.90%036%0.356CS..EExtended strand (participates in β ladder)trans-105.4122.8177.900000111.1S468 R499 F500 V502 V528 I529 I530S468-A516 VanDerWaalsContact OG-CB 3.27Å; S468-A516 WeakPolarHBondContact OG-CB 3.36Å; R499-A516 WeakPolarHBondContact CA-O 3.3Å; F500-A516 PolarHBondContact N-O 3.22Å; F500-A516 PolarHBondContact O-N 3.44Å; V502-A516 HydrophobicContact CG2-CB 3.75Å; A516-V528 HydrophobicContact CB-CG1 4.15Å; A516-I529 CarbonylContact C-O 3.57Å; A516-I529 WeakPolarHBondContact CA-O 3.33Å; A516-I530 HydrophobicContact CB-CD1 4.05Å; A516-I530 HydrophobicContact CB-CG1 3.86Å
517E93.3Very high85.9Confident29 Ų2969.3 Ų69.314%0.13636%0.358CS..EExtended strand (participates in β ladder)trans-105.5111.8170.8-174.2172.2-130.900109.8S497 Q498 R499 K519 V528 I529S497-E517 WeakPolarHBondContact CB-OE1 3.29Å; S497-E517 PolarHBondContact OG-OE1 2.86Å; Q498-E517 WeakPolarHBondContact O-CA 3.3Å; R499-E517 HydrophobicContact CG-CB 4.24Å; R499-E517 HydrophobicContact CG-CG 4.01Å; R499-E517 IonicContact CZ-OE1 3.75Å; R499-E517 IonicContact NE-OE1 3.66Å; R499-E517 PolarHBondContact NE-OE1 2.93Å; R499-E517 IonicContact NH2-OE1 2.68Å; R499-E517 PolarHBondContact NH2-OE1 2.84Å; E517-K519 HydrophobicContact CG-CG 4.33Å; E517-K519 WeakPolarHBondContact OE2-CE 3.36Å; E517-K519 IonicContact OE2-NZ 3.25Å; E517-K519 PolarHBondContact OE2-NZ 3.13Å; E517-V528 WeakPolarHBondContact O-CA 3.14Å; E517-I529 HydrophobicContact CB-CB 4.42Å; E517-I529 PolarHBondContact N-O 3.18Å; E517-I529 PolarHBondContact O-N 2.65Å
518V91.7Very high86.8Confident4 Ų467.3 Ų67.32%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-95.1123.3-179.5-175.20000109.8C472 S497 Q498 F500 M521 E527 V528C472-V518 HydrophobicContact CB-CB 4.27Å; C472-V518 HydrophobicContact CB-CG1 4.04Å; C472-V518 HydrophobicContact CB-CG2 4.14Å; S497-V518 WeakPolarHBondContact CA-O 3.29Å; Q498-V518 PolarHBondContact N-O 3.08Å; Q498-V518 PolarHBondContact O-N 3.24Å; F500-V518 HydrophobicContact CD2-CG2 4.06Å; F500-V518 HydrophobicContact CE2-CG2 4.16Å; V518-M521 HydrophobicContact CG1-CE 3.4Å; V518-M521 VanDerWaalsContact CG1-CE 3.4Å; V518-E527 CarbonylContact C-O 3.46Å; V518-E527 WeakPolarHBondContact CA-O 3.32Å; V518-V528 HydrophobicContact CG1-CG2 4.35Å; V518-V528 HydrophobicContact CG2-CG1 4.13Å; V518-V528 HydrophobicContact CG2-CG2 4.18Å
519K90.2Very high87.7Confident63 Ų6364.3 Ų64.327%0.27433%0.331SS..EExtended strand (participates in β ladder)trans-124.7165.3-177.9-64.2-179.1-176.8167.40111.4E517 M521 E527 I529E517-K519 HydrophobicContact CG-CG 4.33Å; E517-K519 WeakPolarHBondContact OE2-CE 3.36Å; E517-K519 IonicContact OE2-NZ 3.25Å; E517-K519 PolarHBondContact OE2-NZ 3.13Å; K519-M521 PolarHBondContact O-N 2.9Å; K519-E527 HydrophobicContact CB-CB 4.33Å; K519-E527 PolarHBondContact N-O 2.68Å; K519-E527 PolarHBondContact O-N 3.09Å; K519-I529 HydrophobicContact CD-CD1 4.14Å; K519-I529 VanDerWaalsContact NZ-CD1 3.3Å
520H82.7Confident88.2Confident136 Ų13657.2 Ų57.263%0.6330%0.3SS*.SBendtrans47.236.7171.2-57.8-70.4000115.1S522 E527H520-S522 PolarHBondContact O-N 3.04Å; H520-E527 HydrophobicContact CB-CG 4.18Å; H520-E527 IonicContact CD2-OE1 3.35Å; H520-E527 IonicContact CD2-OE2 3.44Å; H520-E527 PolarHBondContact CD2-OE2 2.98Å; H520-E527 IonicContact NE2-OE2 3.71Å
521M82.6Confident88.3Confident42 Ų4255.7 Ų55.721%0.20729%0.286CS..  trans-67117.6-175.6179.866.964.100111.8A469 C472 H473 L476 V518 K519 C526 L541A469-M521 HydrophobicContact CB-CE 4.23Å; C472-M521 HydrophobicContact CB-CE 4.12Å; H473-M521 HydrophobicContact CB-SD 4.39Å; L476-M521 HydrophobicContact CD1-CB 4.49Å; L476-M521 HydrophobicContact CD1-CG 4.3Å; V518-M521 HydrophobicContact CG1-CE 3.4Å; V518-M521 VanDerWaalsContact CG1-CE 3.4Å; K519-M521 PolarHBondContact O-N 2.9Å; M521-C526 HydrophobicContact CB-CB 4.44Å; M521-C526 HydrophobicContact CE-CB 3.52Å; M521-C526 HydrophobicContact SD-CB 3.65Å; M521-L541 HydrophobicContact SD-CD1 4.39Å
522S81Confident88.3Confident47 Ų4760.4 Ų60.433%0.32930%0.302SS..  trans-116.7-175.4170.588.20000110.7H520 E524 S525H520-S522 PolarHBondContact O-N 3.04Å; S522-E524 VanDerWaalsContact C-N 3.27Å; S522-E524 PolarHBondContact OG-N 2.85Å; S522-E524 VanDerWaalsContact OG-N 3.15Å; S522-S525 PolarHBondContact N-O 3.04Å; S522-S525 PolarHBondContact OG-N 3.35Å; S522-S525 PolarHBondContact OG-O 2.67Å; S522-S525 VanDerWaalsContact OG-O 3.12Å; S522-S525 PolarHBondContact OG-OG 3.22Å
523W71.8Confident88.4Confident168 Ų16862 Ų6264%0.63631%0.311SS*.SBendtrans-74.9-18.7174.8-70.4103.3000113.4H473H473-W523 AromaticContact CE1-CE3 3.8Å; H473-W523 AromaticContact CE1-CZ3 3.57Å; H473-W523 AromaticContact NE2-CE3 3.48Å; H473-W523 AromaticContact NE2-CZ3 3.51Å
524E84.3Confident88.6Confident143 Ų14363.7 Ų63.767%0.66831%0.312SS*.SBendtrans-128.6-4.2-171.4-59.4-16815800113.3S522 G539S522-E524 VanDerWaalsContact C-N 3.27Å; S522-E524 PolarHBondContact OG-N 2.85Å; S522-E524 VanDerWaalsContact OG-N 3.15Å; E524-G539 CarbonylContact C-O 3.37Å; E524-G539 PolarHBondContact O-N 2.8Å
525S89.2Confident88.7Confident51 Ų5163.2 Ų63.236%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-155.6152.5179.662.40000112S522 I537S522-S525 PolarHBondContact N-O 3.04Å; S522-S525 PolarHBondContact OG-N 3.35Å; S522-S525 PolarHBondContact OG-O 2.67Å; S522-S525 VanDerWaalsContact OG-O 3.12Å; S522-S525 PolarHBondContact OG-OG 3.22Å; S525-I537 CarbonylContact C-O 3.47Å; S525-I537 WeakPolarHBondContact CA-O 3.32Å
526C90.8Very high88.9Confident3 Ų361.5 Ų61.52%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-157158.9165.866.40000110.7A469 M521 I537A469-C526 WeakPolarHBondContact CB-SG 3.35Å; M521-C526 HydrophobicContact CB-CB 4.44Å; M521-C526 HydrophobicContact CE-CB 3.52Å; M521-C526 HydrophobicContact SD-CB 3.65Å; C526-I537 PolarHBondContact N-O 2.88Å; C526-I537 PolarHBondContact O-N 3.17Å
527E93.4Very high89Confident62 Ų6261.5 Ų61.529%0.2930%0.3SS..EExtended strand (participates in β ladder)trans-109.7131.9175.7-52.2-178.1-175.500108.2V518 K519 H520 N536V518-E527 CarbonylContact C-O 3.46Å; V518-E527 WeakPolarHBondContact CA-O 3.32Å; K519-E527 HydrophobicContact CB-CB 4.33Å; K519-E527 PolarHBondContact N-O 2.68Å; K519-E527 PolarHBondContact O-N 3.09Å; H520-E527 HydrophobicContact CB-CG 4.18Å; H520-E527 IonicContact CD2-OE1 3.35Å; H520-E527 IonicContact CD2-OE2 3.44Å; H520-E527 PolarHBondContact CD2-OE2 2.98Å; H520-E527 IonicContact NE2-OE2 3.71Å; E527-N536 VanDerWaalsContact CG-OD1 3.26Å; E527-N536 WeakPolarHBondContact CG-OD1 3.19Å
528V94.7Very high89Confident0 Ų064.9 Ų64.90%032%0.316CS..EExtended strand (participates in β ladder)trans-127.1122.9178.2-170.40000109.1A465 A469 A516 E517 V518 I530 Y535 I537A465-V528 HydrophobicContact CB-CB 4.07Å; A465-V528 HydrophobicContact CB-CG1 4.11Å; A469-V528 HydrophobicContact CB-CG2 4.12Å; A516-V528 HydrophobicContact CB-CG1 4.15Å; E517-V528 WeakPolarHBondContact O-CA 3.14Å; V518-V528 HydrophobicContact CG1-CG2 4.35Å; V518-V528 HydrophobicContact CG2-CG1 4.13Å; V518-V528 HydrophobicContact CG2-CG2 4.18Å; V528-I530 HydrophobicContact CG1-CD1 4.26Å; V528-I530 HydrophobicContact CG1-CG1 3.93Å; V528-Y535 PolarHBondContact N-O 3.03Å; V528-Y535 WeakPolarHBondContact O-CB 3.26Å; V528-Y535 PolarHBondContact O-N 3.26Å; V528-I537 HydrophobicContact CG2-CD1 3.81Å
529I94.5Very high88.8Confident40 Ų4065.7 Ų65.721%0.20533%0.325CS..EExtended strand (participates in β ladder)trans-100.9120175.2-56172.2000107.9A516 E517 K519 T533 E534A516-I529 CarbonylContact C-O 3.57Å; A516-I529 WeakPolarHBondContact CA-O 3.33Å; E517-I529 HydrophobicContact CB-CB 4.42Å; E517-I529 PolarHBondContact N-O 3.18Å; E517-I529 PolarHBondContact O-N 2.65Å; K519-I529 HydrophobicContact CD-CD1 4.14Å; K519-I529 VanDerWaalsContact NZ-CD1 3.3Å; I529-T533 WeakPolarHBondContact CA-O 3.43Å; I529-E534 HydrophobicContact CG1-CG 4.32Å
530I92.1Very high88.5Confident0 Ų064.4 Ų64.40%032%0.324CS..EExtended strand (participates in β ladder)trans-125.6126.2174.2-55.4-170.1000108.3L461 A464 A465 H514 A516 V528 E532 T533 Y535L461-I530 HydrophobicContact CD2-CG2 3.88Å; A464-I530 HydrophobicContact CB-CD1 3.75Å; A465-I530 HydrophobicContact CB-CD1 3.84Å; H514-I530 HydrophobicContact CB-CG2 3.65Å; A516-I530 HydrophobicContact CB-CD1 4.05Å; A516-I530 HydrophobicContact CB-CG1 3.86Å; V528-I530 HydrophobicContact CG1-CD1 4.26Å; V528-I530 HydrophobicContact CG1-CG1 3.93Å; I530-E532 VanDerWaalsContact C-N 3.26Å; I530-E532 PolarHBondContact O-N 3.17Å; I530-T533 PolarHBondContact N-O 3.02Å; I530-T533 WeakPolarHBondContact O-CA 3.47Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 3.18Å; I530-Y535 HydrophobicContact CB-CE2 4.2Å
531D84Confident88.5Confident83 Ų8358.1 Ų58.144%0.44430%0.295SS..THydrogen-bonded Turntrans45.450.6178.7-57.5-13.3000112.4H514 T533H514-D531 IonicContact CE1-OD2 3.83Å; H514-D531 IonicContact CG-OD2 3.79Å; H514-D531 IonicContact ND1-OD1 3.08Å; H514-D531 IonicContact ND1-OD2 3.56Å; H514-D531 PolarHBondContact ND1-OD2 3.11Å; D531-T533 PolarHBondContact O-N 3.37Å
532E84.2Confident88.3Confident194 Ų19459 Ų5991%0.90730%0.301SS*.THydrogen-bonded Turntrans67.20.2-179.1-51.1178.9176.800115.8I530I530-E532 VanDerWaalsContact C-N 3.26Å; I530-E532 PolarHBondContact O-N 3.17Å
533T90.6Very high88Confident65 Ų6558.9 Ų58.940%0.39930%0.295SS..EExtended strand (participates in β ladder)trans-97.4129175.5-53.30000110.6I529 I530 D531 Y535I529-T533 WeakPolarHBondContact CA-O 3.43Å; I530-T533 PolarHBondContact N-O 3.02Å; I530-T533 WeakPolarHBondContact O-CA 3.47Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 3.18Å; D531-T533 PolarHBondContact O-N 3.37Å; T533-Y535 HydrophobicContact CG2-CD2 4.46Å; T533-Y535 HydrophobicContact CG2-CE1 4.42Å; T533-Y535 HydrophobicContact CG2-CE2 3.73Å; T533-Y535 WeakPolarHBondContact O-CD2 3.44Å
534E93.5Very high88.4Confident94 Ų9454.6 Ų54.644%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-90132.4178.5-167-177.2130.200111.7I529 N536 N553I529-E534 HydrophobicContact CG1-CG 4.32Å; E534-N536 PolarHBondContact OE1-ND2 3.31Å; E534-N536 PolarHBondContact OE1-OD1 3.42Å; E534-N553 PolarHBondContact O-ND2 2.95Å
535Y94.1Very high88.3Confident12 Ų1252.5 Ų52.55%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-122.3106.2177.3-63.4-85.9000109.9L461 A465 V528 I530 T533 I537 V552 N553L461-Y535 HydrophobicContact CB-CE2 4.27Å; L461-Y535 WeakPolarHBondContact CB-OH 3.37Å; A465-Y535 HydrophobicContact CB-CD2 4.12Å; A465-Y535 HydrophobicContact CB-CG 3.97Å; V528-Y535 PolarHBondContact N-O 3.03Å; V528-Y535 WeakPolarHBondContact O-CB 3.26Å; V528-Y535 PolarHBondContact O-N 3.26Å; I530-Y535 HydrophobicContact CB-CE2 4.2Å; T533-Y535 HydrophobicContact CG2-CD2 4.46Å; T533-Y535 HydrophobicContact CG2-CE1 4.42Å; T533-Y535 HydrophobicContact CG2-CE2 3.73Å; T533-Y535 WeakPolarHBondContact O-CD2 3.44Å; Y535-I537 PolarHBondContact O-N 2.88Å; Y535-V552 HydrophobicContact CD1-CG1 3.85Å; Y535-V552 HydrophobicContact CG-CG1 4.48Å; Y535-N553 WeakPolarHBondContact CA-OD1 3.44Å
536N94.9Very high88.2Confident55 Ų5550.7 Ų50.729%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-86.5105175-68.8-36.9000109E527 E534 V552 N553E527-N536 VanDerWaalsContact CG-OD1 3.26Å; E527-N536 WeakPolarHBondContact CG-OD1 3.19Å; E534-N536 PolarHBondContact OE1-ND2 3.31Å; E534-N536 PolarHBondContact OE1-OD1 3.42Å; N536-V552 CarbonylContact O-C 3.56Å; N536-V552 WeakPolarHBondContact O-CA 3.34Å; N536-N553 PolarHBondContact N-OD1 2.77Å; N536-N553 PolarHBondContact O-N 2.58Å
537I94.5Very high88.4Confident1 Ų151.3 Ų51.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-98.6115.8-177.6-56.2173.8000108.2A465 V466 A469 S525 C526 V528 Y535 L550 K551 V552A465-I537 HydrophobicContact CB-CD1 4.15Å; V466-I537 HydrophobicContact CG2-CD1 4.01Å; A469-I537 HydrophobicContact CB-CD1 3.86Å; S525-I537 CarbonylContact C-O 3.47Å; S525-I537 WeakPolarHBondContact CA-O 3.32Å; C526-I537 PolarHBondContact N-O 2.88Å; C526-I537 PolarHBondContact O-N 3.17Å; V528-I537 HydrophobicContact CG2-CD1 3.81Å; Y535-I537 PolarHBondContact O-N 2.88Å; I537-L550 HydrophobicContact CG2-CD1 4.03Å; I537-K551 CarbonylContact C-O 3.56Å; I537-K551 WeakPolarHBondContact CA-O 3.15Å; I537-V552 HydrophobicContact CG1-CG1 4.36Å; I537-V552 HydrophobicContact CG1-CG2 4.26Å
538E93.7Very high88.3Confident99 Ų9948.4 Ų48.446%0.46326%0.257SS..EExtended strand (participates in β ladder)trans-109.8137.9173.8-58.2176175.600110L550 K551E538-L550 CarbonylContact O-C 3.6Å; E538-L550 VanDerWaalsContact O-CA 3.25Å; E538-L550 WeakPolarHBondContact O-CA 3.1Å; E538-K551 HydrophobicContact CB-CB 4.27Å; E538-K551 PolarHBondContact N-O 3.18Å; E538-K551 PolarHBondContact O-N 3.21Å
539G88.7Confident88.2Confident21 Ų2152.2 Ų52.222%0.21628%0.277CS..SBendtrans129162.7179.600000113.1E524 L541E524-G539 CarbonylContact C-O 3.37Å; E524-G539 PolarHBondContact O-N 2.8Å; G539-L541 PolarHBondContact O-N 2.95Å; G539-L541 VanDerWaalsContact O-N 3.15Å
540S83.7Confident88.2Confident36 Ų3650.5 Ų50.525%0.25227%0.268SS..  trans-75.2105-174.9-178.80000111.5N542 K545S540-N542 PolarHBondContact O-N 3.01Å; S540-N542 WeakPolarHBondContact OG-CB 3.4Å; S540-K545 PolarHBondContact OG-NZ 3.07Å
541L81.7Confident88.4Confident4 Ų455.6 Ų55.62%0.02129%0.291CS..  trans-78.340.9173.2-63.3175.8000112.5A469 L470 H473 M521 G539 F543 L550A469-L541 HydrophobicContact CB-CD1 3.77Å; L470-L541 HydrophobicContact CD2-CB 4.11Å; L470-L541 HydrophobicContact CD2-CD2 3.95Å; L470-L541 HydrophobicContact CG-CD2 4.2Å; H473-L541 PolarHBondContact ND1-O 3.31Å; M521-L541 HydrophobicContact SD-CD1 4.39Å; G539-L541 PolarHBondContact O-N 2.95Å; G539-L541 VanDerWaalsContact O-N 3.15Å; L541-F543 PolarHBondContact O-N 3.31Å; L541-L550 HydrophobicContact CD2-CD1 3.84Å; L541-L550 HydrophobicContact CD2-CD2 4.03Å
542N79.1Confident88.8Confident62 Ų6252 Ų5233%0.33227%0.271SS..  trans-82.7117.1-175.5-172.3-14.4000111.6S540 S544 K545S540-N542 PolarHBondContact O-N 3.01Å; S540-N542 WeakPolarHBondContact OG-CB 3.4Å; N542-S544 VanDerWaalsContact CG-OG 3.28Å; N542-S544 PolarHBondContact ND2-OG 3.33Å; N542-S544 PolarHBondContact O-N 2.97Å; N542-S544 VanDerWaalsContact O-N 3.08Å; N542-S544 PolarHBondContact OD1-N 2.93Å; N542-S544 PolarHBondContact OD1-OG 2.9Å; N542-K545 HydrophobicContact CB-CD 4.38Å; N542-K545 HydrophobicContact CB-CG 4.37Å; N542-K545 WeakPolarHBondContact O-CB 3.35Å; N542-K545 PolarHBondContact O-N 2.65Å
543F75.6Confident89.3Confident44 Ų4446.7 Ų46.719%0.19325%0.249CC..THydrogen-bonded Turntrans-58.6-19.7178-64.2-76.8000115.5L470 H473 H474 L541 K545 I561 C564L470-F543 HydrophobicContact CD2-CE1 4.34Å; L470-F543 VanDerWaalsContact O-CZ 3.26Å; L470-F543 WeakPolarHBondContact O-CZ 3.46Å; H473-F543 HydrophobicContact CB-CE2 4.33Å; H473-F543 HydrophobicContact CB-CZ 4.42Å; H473-F543 AromaticContact ND1-CD2 3.99Å; H473-F543 AromaticContact ND1-CE2 3.35Å; H473-F543 VanDerWaalsContact ND1-CE2 3.35Å; H473-F543 WeakPolarHBondContact ND1-CE2 3.43Å; H474-F543 HydrophobicContact CB-CE1 4.22Å; H474-F543 HydrophobicContact CB-CE2 4.11Å; H474-F543 HydrophobicContact CB-CZ 3.53Å; L541-F543 PolarHBondContact O-N 3.31Å; F543-K545 VanDerWaalsContact C-N 3.29Å; F543-I561 HydrophobicContact CD1-CD1 4.39Å; F543-C564 HydrophobicContact CE1-CB 4.32Å
544S78.3Confident89.3Confident77 Ų7745.9 Ų45.954%0.53825%0.254SS..THydrogen-bonded Turntrans-73.5-24.317667.90000112.5R357 N542R357-S544 PolarHBondContact NH2-O 3.24Å; N542-S544 VanDerWaalsContact CG-OG 3.28Å; N542-S544 PolarHBondContact ND2-OG 3.33Å; N542-S544 PolarHBondContact O-N 2.97Å; N542-S544 VanDerWaalsContact O-N 3.08Å; N542-S544 PolarHBondContact OD1-N 2.93Å; N542-S544 PolarHBondContact OD1-OG 2.9Å
545K83.5Confident89.2Confident100 Ų10047.4 Ų47.444%0.43526%0.262SS..  trans-80.6127.8177.2-65.1-178.3175.81710109.9S540 N542 F543 L548S540-K545 PolarHBondContact OG-NZ 3.07Å; N542-K545 HydrophobicContact CB-CD 4.38Å; N542-K545 HydrophobicContact CB-CG 4.37Å; N542-K545 WeakPolarHBondContact O-CB 3.35Å; N542-K545 PolarHBondContact O-N 2.65Å; F543-K545 VanDerWaalsContact C-N 3.29Å; K545-L548 HydrophobicContact CB-CD2 4.5Å
546A87.6Confident89.1Confident13 Ų1351.6 Ų51.611%0.10729%0.29CS..SBendtrans-74.5-31.9173.800000112.1V412 Q560 I561V412-A546 HydrophobicContact CG1-CB 3.9Å; V412-A546 HydrophobicContact CG2-CB 3.85Å; A546-Q560 CarbonylContact O-C 3.32Å; A546-Q560 WeakPolarHBondContact O-CA 3.36Å; A546-Q560 VanDerWaalsContact O-CB 3.29Å; A546-Q560 WeakPolarHBondContact O-CB 3.33Å; A546-I561 PolarHBondContact O-N 3.05Å
547V93.5Very high89Confident15 Ų1550.7 Ų50.79%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-110.6133.1179.5-174.70000109.2E410 V412 I558 F559 Q560E410-V547 HydrophobicContact CG-CG1 4.16Å; V412-V547 HydrophobicContact CG2-CG2 3.39Å; V547-I558 HydrophobicContact CG1-CG2 3.81Å; V547-F559 CarbonylContact C-O 3.59Å; V547-F559 WeakPolarHBondContact CA-O 3.22Å; V547-Q560 HydrophobicContact CG2-CG 4.36Å
548L92.7Very high89Confident1 Ų152 Ų521%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-113.3106.9175.7-54.8178.4000108.4L470 K545 L550 F559 I561L470-L548 HydrophobicContact CD1-CD1 3.84Å; L470-L548 HydrophobicContact CD2-CD1 3.97Å; L470-L548 HydrophobicContact CG-CD1 4.39Å; K545-L548 HydrophobicContact CB-CD2 4.5Å; L548-L550 HydrophobicContact CB-CD1 4.2Å; L548-L550 HydrophobicContact CB-CD2 4.21Å; L548-L550 HydrophobicContact CB-CG 3.95Å; L548-L550 HydrophobicContact CD1-CD1 4.45Å; L548-F559 HydrophobicContact CB-CB 4.29Å; L548-F559 PolarHBondContact N-O 2.82Å; L548-F559 PolarHBondContact O-N 3.44Å; L548-I561 HydrophobicContact CD1-CD1 3.9Å; L548-I561 HydrophobicContact CD1-CG1 3.68Å; L548-I561 HydrophobicContact CD2-CD1 4.02Å; L548-I561 HydrophobicContact CD2-CG1 4.37Å; L548-I561 HydrophobicContact CG-CD1 4.16Å; L548-I561 HydrophobicContact CG-CG1 3.98Å
549N92.3Very high89Confident80 Ų8047.3 Ų47.343%0.42827%0.269SS..EExtended strand (participates in β ladder)trans-91.7100.1170.1-68.2-23.7000106.9E410E410-N549 PolarHBondContact OE1-ND2 2.68Å
550L94.3Very high89.3Confident4 Ų446.5 Ų46.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-113.4158.2-174.4-55.6-179.4000110.1V466 I537 E538 L541 L548 P556 F557 F559V466-L550 HydrophobicContact CG1-CD1 3.86Å; V466-L550 HydrophobicContact CG2-CD1 4.08Å; I537-L550 HydrophobicContact CG2-CD1 4.03Å; E538-L550 CarbonylContact O-C 3.6Å; E538-L550 VanDerWaalsContact O-CA 3.25Å; E538-L550 WeakPolarHBondContact O-CA 3.1Å; L541-L550 HydrophobicContact CD2-CD1 3.84Å; L541-L550 HydrophobicContact CD2-CD2 4.03Å; L548-L550 HydrophobicContact CB-CD1 4.2Å; L548-L550 HydrophobicContact CB-CD2 4.21Å; L548-L550 HydrophobicContact CB-CG 3.95Å; L548-L550 HydrophobicContact CD1-CD1 4.45Å; L550-P556 WeakPolarHBondContact O-CA 3.37Å; L550-F557 PolarHBondContact N-O 2.91Å; L550-F557 PolarHBondContact O-N 3.21Å; L550-F559 HydrophobicContact CD1-CD2 4.05Å; L550-F559 HydrophobicContact CD1-CE2 4.44Å
551K95.1Very high89.7Confident108 Ų10845.9 Ų45.947%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-112.4131.3160.7-60.4178.7-177.5176.60108.4I537 E538 E555I537-K551 CarbonylContact C-O 3.56Å; I537-K551 WeakPolarHBondContact CA-O 3.15Å; E538-K551 HydrophobicContact CB-CB 4.27Å; E538-K551 PolarHBondContact N-O 3.18Å; E538-K551 PolarHBondContact O-N 3.21Å; K551-E555 CarbonylContact C-O 3.52Å; K551-E555 WeakPolarHBondContact CA-O 3.37Å
552V93.4Very high90.1Very high6 Ų651 Ų514%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-118.4115.5175.7-173.80000107.6V466 Y535 N536 I537 G554 E555 F557V466-V552 HydrophobicContact CG2-CG2 4.29Å; Y535-V552 HydrophobicContact CD1-CG1 3.85Å; Y535-V552 HydrophobicContact CG-CG1 4.48Å; N536-V552 CarbonylContact O-C 3.56Å; N536-V552 WeakPolarHBondContact O-CA 3.34Å; I537-V552 HydrophobicContact CG1-CG1 4.36Å; I537-V552 HydrophobicContact CG1-CG2 4.26Å; V552-G554 PolarHBondContact O-N 2.89Å; V552-E555 PolarHBondContact N-O 3.34Å; V552-E555 PolarHBondContact O-N 3.17Å; V552-E555 VanDerWaalsContact O-N 3.08Å; V552-F557 HydrophobicContact CB-CD2 3.86Å; V552-F557 HydrophobicContact CB-CE2 3.88Å; V552-F557 HydrophobicContact CG2-CD2 3.86Å; V552-F557 HydrophobicContact CG2-CE2 4.34Å; V552-F557 HydrophobicContact CG2-CG 4.42Å
553N93.8Very high90.5Very high83 Ų8350.4 Ų50.444%0.44428%0.275SS..THydrogen-bonded Turntrans53.138-171.1-64.2-15.9000112.5E534 Y535 N536 E555E534-N553 PolarHBondContact O-ND2 2.95Å; Y535-N553 WeakPolarHBondContact CA-OD1 3.44Å; N536-N553 PolarHBondContact N-OD1 2.77Å; N536-N553 PolarHBondContact O-N 2.58Å; N553-E555 VanDerWaalsContact C-N 3.26Å; N553-E555 PolarHBondContact O-N 2.88Å
554G90.6Very high91Very high49 Ų4949.8 Ų49.851%0.50528%0.276SS..THydrogen-bonded Turntrans84.3-19.3-178.100000115.3V552V552-G554 PolarHBondContact O-N 2.89Å
555E91.7Very high91.2Very high126 Ų12649 Ų4959%0.58927%0.266SS*.EExtended strand (participates in β ladder)trans-81.6135.3-179.5-72.2-62.4149.600111.7K551 V552 N553 F557K551-E555 CarbonylContact C-O 3.52Å; K551-E555 WeakPolarHBondContact CA-O 3.37Å; V552-E555 PolarHBondContact N-O 3.34Å; V552-E555 PolarHBondContact O-N 3.17Å; V552-E555 VanDerWaalsContact O-N 3.08Å; N553-E555 VanDerWaalsContact C-N 3.26Å; N553-E555 PolarHBondContact O-N 2.88Å; E555-F557 HydrophobicContact CB-CE2 3.86Å; E555-F557 VanDerWaalsContact O-CD2 3.24Å; E555-F557 WeakPolarHBondContact O-CD2 3.47Å
556P92.4Very high90.8Very high100 Ų10050.1 Ų50.165%0.64928%0.281SS*.EExtended strand (participates in β ladder)trans-78134.9-176.631.1-33.9000112.7L550L550-P556 WeakPolarHBondContact O-CA 3.37Å
557F92.8Very high90.4Very high35 Ų3552.7 Ų52.715%0.15430%0.299CS..EExtended strand (participates in β ladder)trans-131.7140.8174.3-70.3-101.1000111.3L550 V552 E555 F559 Y574L550-F557 PolarHBondContact N-O 2.91Å; L550-F557 PolarHBondContact O-N 3.21Å; V552-F557 HydrophobicContact CB-CD2 3.86Å; V552-F557 HydrophobicContact CB-CE2 3.88Å; V552-F557 HydrophobicContact CG2-CD2 3.86Å; V552-F557 HydrophobicContact CG2-CE2 4.34Å; V552-F557 HydrophobicContact CG2-CG 4.42Å; E555-F557 HydrophobicContact CB-CE2 3.86Å; E555-F557 VanDerWaalsContact O-CD2 3.24Å; E555-F557 WeakPolarHBondContact O-CD2 3.47Å; F557-F559 HydrophobicContact CB-CD2 3.98Å; F557-F559 HydrophobicContact CB-CE2 3.31Å; F557-F559 HydrophobicContact CB-CZ 3.95Å; F557-F559 HydrophobicContact CD1-CE2 4.16Å; F557-F559 AromaticContact CD1-CZ 3.9Å; F557-F559 HydrophobicContact CD1-CZ 3.9Å; F557-F559 AromaticContact CG-CE2 3.97Å; F557-F559 HydrophobicContact CG-CE2 3.97Å; F557-F559 HydrophobicContact CG-CZ 4.19Å; F557-Y574 AromaticContact CD1-CE2 3.69Å; F557-Y574 HydrophobicContact CD1-CE2 3.69Å; F557-Y574 AromaticContact CD1-CZ 3.81Å; F557-Y574 HydrophobicContact CE1-CE2 4.36Å; F557-Y574 WeakPolarHBondContact CE1-OH 3.47Å
558I93.7Very high90.1Very high29 Ų2952 Ų5215%0.14929%0.294CS..EExtended strand (participates in β ladder)trans-112.2114.1174-54.3177.8000108D406 D409 E410 V547D406-I558 HydrophobicContact CB-CD1 4.35Å; D409-I558 HydrophobicContact CB-CB 4.05Å; D409-I558 HydrophobicContact CB-CD1 4.29Å; D409-I558 HydrophobicContact CB-CG2 3.92Å; E410-I558 HydrophobicContact CG-CD1 4.14Å; E410-I558 HydrophobicContact CG-CG2 4.09Å; V547-I558 HydrophobicContact CG1-CG2 3.81Å
559F95Very high90Very high1 Ų155.4 Ų55.40%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-114154.6172.6-61.3-85.5000110.2L463 V466 V547 L548 L550 F557 L573 Y574L463-F559 HydrophobicContact CD1-CD1 4.03Å; L463-F559 HydrophobicContact CD1-CE1 3.69Å; V466-F559 HydrophobicContact CB-CE2 4.39Å; V466-F559 HydrophobicContact CB-CZ 4.48Å; V466-F559 HydrophobicContact CG1-CD2 4.17Å; V466-F559 HydrophobicContact CG1-CE2 4.32Å; V466-F559 HydrophobicContact CG1-CG 4.38Å; V466-F559 HydrophobicContact CG2-CD2 4.32Å; V466-F559 HydrophobicContact CG2-CE2 3.69Å; V466-F559 HydrophobicContact CG2-CZ 3.97Å; V547-F559 CarbonylContact C-O 3.59Å; V547-F559 WeakPolarHBondContact CA-O 3.22Å; L548-F559 HydrophobicContact CB-CB 4.29Å; L548-F559 PolarHBondContact N-O 2.82Å; L548-F559 PolarHBondContact O-N 3.44Å; L550-F559 HydrophobicContact CD1-CD2 4.05Å; L550-F559 HydrophobicContact CD1-CE2 4.44Å; F557-F559 HydrophobicContact CB-CD2 3.98Å; F557-F559 HydrophobicContact CB-CE2 3.31Å; F557-F559 HydrophobicContact CB-CZ 3.95Å; F557-F559 HydrophobicContact CD1-CE2 4.16Å; F557-F559 AromaticContact CD1-CZ 3.9Å; F557-F559 HydrophobicContact CD1-CZ 3.9Å; F557-F559 AromaticContact CG-CE2 3.97Å; F557-F559 HydrophobicContact CG-CE2 3.97Å; F557-F559 HydrophobicContact CG-CZ 4.19Å; F559-L573 CarbonylContact C-O 3.59Å; F559-L573 WeakPolarHBondContact CA-O 3.46Å; F559-Y574 AromaticContact CD1-CD2 3.79Å; F559-Y574 HydrophobicContact CD1-CD2 3.79Å; F559-Y574 HydrophobicContact CD1-CG 4.02Å; F559-Y574 HydrophobicContact CE1-CD1 4.43Å; F559-Y574 AromaticContact CE1-CD2 3.5Å; F559-Y574 HydrophobicContact CE1-CD2 3.5Å; F559-Y574 HydrophobicContact CE1-CE2 4.17Å; F559-Y574 AromaticContact CE1-CG 3.68Å; F559-Y574 HydrophobicContact CE1-CG 3.68Å; F559-Y574 HydrophobicContact CZ-CD2 4.11Å; F559-Y574 HydrophobicContact CZ-CE2 4.35Å
560Q95Very high90.1Very high4 Ų451.6 Ų51.62%0.01929%0.289CS..EExtended strand (participates in β ladder)trans-117.4138.8162.6-46.3-177900111.4D409 Y411 A546 V547 K562 L572 L573D409-Q560 PolarHBondContact O-NE2 2.91Å; Y411-Q560 PolarHBondContact O-NE2 3.01Å; A546-Q560 CarbonylContact O-C 3.32Å; A546-Q560 WeakPolarHBondContact O-CA 3.36Å; A546-Q560 VanDerWaalsContact O-CB 3.29Å; A546-Q560 WeakPolarHBondContact O-CB 3.33Å; V547-Q560 HydrophobicContact CG2-CG 4.36Å; Q560-K562 PolarHBondContact O-N 2.78Å; Q560-L572 CarbonylContact O-C 3.58Å; Q560-L572 VanDerWaalsContact O-CA 3.32Å; Q560-L572 WeakPolarHBondContact O-CA 3.36Å; Q560-L573 HydrophobicContact CB-CB 4.03Å; Q560-L573 HydrophobicContact CG-CB 4.33Å; Q560-L573 PolarHBondContact N-O 3.05Å; Q560-L573 PolarHBondContact O-N 2.77Å
561I91.8Very high90.1Very high22 Ų2251.8 Ų51.811%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-80118.5169.8-52.5176.9000107.8R414 L470 F543 A546 L548 L572R414-I561 PolarHBondContact NH2-O 2.89Å; R414-I561 VanDerWaalsContact NH2-O 3.15Å; L470-I561 HydrophobicContact CD1-CG1 4.38Å; L470-I561 HydrophobicContact CD2-CD1 4.01Å; F543-I561 HydrophobicContact CD1-CD1 4.39Å; A546-I561 PolarHBondContact O-N 3.05Å; L548-I561 HydrophobicContact CD1-CD1 3.9Å; L548-I561 HydrophobicContact CD1-CG1 3.68Å; L548-I561 HydrophobicContact CD2-CD1 4.02Å; L548-I561 HydrophobicContact CD2-CG1 4.37Å; L548-I561 HydrophobicContact CG-CD1 4.16Å; L548-I561 HydrophobicContact CG-CG1 3.98Å; I561-L572 HydrophobicContact CG1-CD2 4.37Å
562K90Very high90Very high113 Ų11346.7 Ų46.749%0.49127%0.268SS..EExtended strand (participates in β ladder)trans-94.1-46.9170-171.6176.3179177.70111.2Q560 T571 L573Q560-K562 PolarHBondContact O-N 2.78Å; K562-T571 WeakPolarHBondContact CA-O 3.23Å; K562-T571 HydrophobicContact CB-CG2 4.04Å; K562-T571 WeakPolarHBondContact CB-O 3.2Å; K562-T571 HydrophobicContact CD-CG2 3.83Å; K562-T571 HydrophobicContact CG-CG2 4.39Å; K562-T571 PolarHBondContact N-O 3.07Å; K562-L573 HydrophobicContact CB-CD1 3.55Å; K562-L573 HydrophobicContact CD-CD1 3.87Å; K562-L573 HydrophobicContact CG-CD1 4.13Å
563S88.4Confident90.1Very high49 Ų4947.5 Ų47.534%0.34327%0.272SS..EExtended strand (participates in β ladder)trans-157148173.647.70000111V570 T571S563-V570 CarbonylContact O-C 3.59Å; S563-V570 WeakPolarHBondContact O-CA 3.02Å; S563-T571 PolarHBondContact N-O 2.92Å; S563-T571 PolarHBondContact O-N 3.31Å; S563-T571 WeakPolarHBondContact OG-CB 3.29Å; S563-T571 PolarHBondContact OG-OG1 2.7Å
564C86Confident90.2Very high31 Ų3144.4 Ų44.421%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-141.7118.7168.2-178.90000106F543F543-C564 HydrophobicContact CE1-CB 4.32Å
565N81.5Confident90.4Very high59 Ų5943.9 Ų43.932%0.31624%0.238SC..  trans-120169.9-177.174.510.2000111.9S567 G568 K569N565-S567 VanDerWaalsContact CG-OG 3.31Å; N565-S567 PolarHBondContact ND2-OG 2.93Å; N565-S567 PolarHBondContact O-N 3.49Å; N565-S567 PolarHBondContact OD1-N 2.88Å; N565-S567 VanDerWaalsContact OD1-N 3.16Å; N565-S567 PolarHBondContact OD1-OG 3.43Å; N565-G568 PolarHBondContact O-N 3.4Å; N565-G568 PolarHBondContact OD1-N 2.81Å; N565-K569 PolarHBondContact N-O 2.96Å; N565-K569 WeakPolarHBondContact OD1-CA 3.08Å; N565-K569 WeakPolarHBondContact OD1-CB 3.16Å; N565-K569 PolarHBondContact OD1-N 2.88Å; N565-K569 PolarHBondContact OD1-O 2.83Å
566T74.8Confident90.4Very high124 Ų12438.1 Ų38.176%0.76121%0.212SC*.THydrogen-bonded Turntrans-72.2-16.2-179.449.60000113.5G568T566-G568 PolarHBondContact O-N 3.39Å
567S80.4Confident90.4Very high68 Ų6833.4 Ų33.448%0.47618%0.182SC..THydrogen-bonded Turntrans-79.44.9176.577.50000113.4N565 K569N565-S567 VanDerWaalsContact CG-OG 3.31Å; N565-S567 PolarHBondContact ND2-OG 2.93Å; N565-S567 PolarHBondContact O-N 3.49Å; N565-S567 PolarHBondContact OD1-N 2.88Å; N565-S567 VanDerWaalsContact OD1-N 3.16Å; N565-S567 PolarHBondContact OD1-OG 3.43Å; S567-K569 VanDerWaalsContact C-N 3.34Å
568G86.2Confident90.5Very high0 Ų034.3 Ų34.30%019%0.191CC..SBendtrans88-4.4-178.500000114.5N565 T566 V570 K582 V583N565-G568 PolarHBondContact O-N 3.4Å; N565-G568 PolarHBondContact OD1-N 2.81Å; T566-G568 PolarHBondContact O-N 3.39Å; G568-V570 PolarHBondContact O-N 3.15Å; G568-K582 CarbonylContact O-C 3.42Å; G568-K582 WeakPolarHBondContact O-CA 3.45Å; G568-V583 WeakPolarHBondContact CA-O 3.33Å; G568-V583 PolarHBondContact O-N 3.47Å
569K91.5Very high90.5Very high72 Ų7233.7 Ų33.731%0.31319%0.187SC..EExtended strand (participates in β ladder)trans-78.8117.6-179.7174.4170.6164.9152.30110.1N565 S567 E580 L581N565-K569 PolarHBondContact N-O 2.96Å; N565-K569 WeakPolarHBondContact OD1-CA 3.08Å; N565-K569 WeakPolarHBondContact OD1-CB 3.16Å; N565-K569 PolarHBondContact OD1-N 2.88Å; N565-K569 PolarHBondContact OD1-O 2.83Å; S567-K569 VanDerWaalsContact C-N 3.34Å; K569-E580 HydrophobicContact CD-CG 4.2Å; K569-E580 WeakPolarHBondContact CE-OE1 3.43Å; K569-E580 WeakPolarHBondContact CE-OE2 3.46Å; K569-E580 HydrophobicContact CG-CG 4.05Å; K569-E580 IonicContact NZ-OE1 2.77Å; K569-E580 PolarHBondContact NZ-OE1 3.36Å; K569-E580 IonicContact NZ-OE2 3.96Å; K569-E580 PolarHBondContact NZ-OE2 3.31Å; K569-L581 WeakPolarHBondContact CA-O 3.4Å
570V93.1Very high90.5Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-120.5117.9178.6-173.40000107.9A467 F471 S563 G568 L572 L581 V583A467-V570 HydrophobicContact CB-CB 4.49Å; A467-V570 HydrophobicContact CB-CG1 4.29Å; F471-V570 HydrophobicContact CB-CG2 4.32Å; F471-V570 HydrophobicContact CD2-CG2 4.36Å; S563-V570 CarbonylContact O-C 3.59Å; S563-V570 WeakPolarHBondContact O-CA 3.02Å; G568-V570 PolarHBondContact O-N 3.15Å; V570-L572 HydrophobicContact CG1-CD2 4.2Å; V570-L572 HydrophobicContact CG1-CG 4.1Å; V570-L581 PolarHBondContact N-O 3.32Å; V570-L581 PolarHBondContact O-N 3.16Å; V570-V583 HydrophobicContact CG2-CG2 4.07Å
571T94Very high90.5Very high9 Ų938.5 Ų38.56%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-109.1114.9175.2-48.40000109.5K562 S563 P578 Y579K562-T571 WeakPolarHBondContact CA-O 3.23Å; K562-T571 HydrophobicContact CB-CG2 4.04Å; K562-T571 WeakPolarHBondContact CB-O 3.2Å; K562-T571 HydrophobicContact CD-CG2 3.83Å; K562-T571 HydrophobicContact CG-CG2 4.39Å; K562-T571 PolarHBondContact N-O 3.07Å; S563-T571 PolarHBondContact N-O 2.92Å; S563-T571 PolarHBondContact O-N 3.31Å; S563-T571 WeakPolarHBondContact OG-CB 3.29Å; S563-T571 PolarHBondContact OG-OG1 2.7Å; T571-P578 HydrophobicContact CG2-CB 4.37Å; T571-Y579 VanDerWaalsContact CA-O 3.29Å; T571-Y579 WeakPolarHBondContact CA-O 3.45Å
572L94.9Very high90.5Very high0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-109.2142.7176.9-63.5179.3000109.6L463 V466 A467 L470 Q560 I561 V570 P578 Y579 L581L463-L572 HydrophobicContact CD1-CB 4.05Å; L463-L572 HydrophobicContact CD1-CD1 3.93Å; V466-L572 HydrophobicContact CG1-CD1 4.03Å; A467-L572 HydrophobicContact CB-CD1 4.14Å; L470-L572 HydrophobicContact CD1-CD1 4.27Å; L470-L572 HydrophobicContact CD1-CD2 3.64Å; Q560-L572 CarbonylContact O-C 3.58Å; Q560-L572 VanDerWaalsContact O-CA 3.32Å; Q560-L572 WeakPolarHBondContact O-CA 3.36Å; I561-L572 HydrophobicContact CG1-CD2 4.37Å; V570-L572 HydrophobicContact CG1-CD2 4.2Å; V570-L572 HydrophobicContact CG1-CG 4.1Å; L572-P578 CarbonylContact O-C 3.52Å; L572-P578 WeakPolarHBondContact O-CA 3.41Å; L572-Y579 PolarHBondContact N-O 3.07Å; L572-Y579 PolarHBondContact O-N 3.15Å; L572-L581 HydrophobicContact CD1-CD1 4.44Å; L572-L581 HydrophobicContact CG-CD1 4.46Å
573L95Very high90.8Very high23 Ų2335.1 Ų35.112%0.1219%0.194CC..EExtended strand (participates in β ladder)trans-93.4132.5161.2-73.667000108.4F559 Q560 K562 C577 P578F559-L573 CarbonylContact C-O 3.59Å; F559-L573 WeakPolarHBondContact CA-O 3.46Å; Q560-L573 HydrophobicContact CB-CB 4.03Å; Q560-L573 HydrophobicContact CG-CB 4.33Å; Q560-L573 PolarHBondContact N-O 3.05Å; Q560-L573 PolarHBondContact O-N 2.77Å; K562-L573 HydrophobicContact CB-CD1 3.55Å; K562-L573 HydrophobicContact CD-CD1 3.87Å; K562-L573 HydrophobicContact CG-CD1 4.13Å; L573-C577 CarbonylContact C-O 3.48Å; L573-C577 VanDerWaalsContact CA-O 3.22Å; L573-C577 WeakPolarHBondContact CA-O 3.28Å; L573-P578 HydrophobicContact CD1-CB 4.44Å; L573-P578 HydrophobicContact CG-CB 4.43Å
574Y95.5Very high90.9Very high19 Ų1933.7 Ų33.78%0.07518%0.182CC..EExtended strand (participates in β ladder)trans-139.6135172.5178.1-121.9000108.9L455 E459 F557 F559 G576 C577 Y579L455-Y574 HydrophobicContact CD1-CD1 4.11Å; L455-Y574 HydrophobicContact CD2-CD1 3.79Å; L455-Y574 HydrophobicContact CD2-CE1 3.77Å; E459-Y574 HydrophobicContact CB-CE1 4.26Å; E459-Y574 HydrophobicContact CG-CE1 4.36Å; E459-Y574 PolarHBondContact OE1-OH 2.91Å; F557-Y574 AromaticContact CD1-CE2 3.69Å; F557-Y574 HydrophobicContact CD1-CE2 3.69Å; F557-Y574 AromaticContact CD1-CZ 3.81Å; F557-Y574 HydrophobicContact CE1-CE2 4.36Å; F557-Y574 WeakPolarHBondContact CE1-OH 3.47Å; F559-Y574 AromaticContact CD1-CD2 3.79Å; F559-Y574 HydrophobicContact CD1-CD2 3.79Å; F559-Y574 HydrophobicContact CD1-CG 4.02Å; F559-Y574 HydrophobicContact CE1-CD1 4.43Å; F559-Y574 AromaticContact CE1-CD2 3.5Å; F559-Y574 HydrophobicContact CE1-CD2 3.5Å; F559-Y574 HydrophobicContact CE1-CE2 4.17Å; F559-Y574 AromaticContact CE1-CG 3.68Å; F559-Y574 HydrophobicContact CE1-CG 3.68Å; F559-Y574 HydrophobicContact CZ-CD2 4.11Å; F559-Y574 HydrophobicContact CZ-CE2 4.35Å; Y574-G576 PolarHBondContact O-N 2.89Å; Y574-C577 PolarHBondContact N-O 2.8Å; Y574-C577 PolarHBondContact O-N 3.12Å; Y574-Y579 HydrophobicContact CD1-CE2 4.4Å; Y574-Y579 WeakPolarHBondContact O-CE2 3.37Å
575K94.6Very high90.9Very high37 Ų3735.2 Ų35.216%0.16119%0.188CC..THydrogen-bonded Turntrans50.141.6-170.3-59.6-174.8177.6-178.80112.3D409 R424 I453 L455 E459 C577D409-K575 VanDerWaalsContact OD1-C 3.31Å; D409-K575 WeakPolarHBondContact OD1-CA 3.35Å; R424-K575 VanDerWaalsContact CG-C 3.45Å; R424-K575 HydrophobicContact CG-CB 4.46Å; R424-K575 VanDerWaalsContact CG-O 3.32Å; R424-K575 WeakPolarHBondContact CG-O 3.49Å; I453-K575 HydrophobicContact CD1-CB 3.6Å; I453-K575 HydrophobicContact CD1-CD 4.45Å; I453-K575 WeakPolarHBondContact CD1-O 3.41Å; I453-K575 HydrophobicContact CG2-CD 4.12Å; L455-K575 HydrophobicContact CD2-CD 4.47Å; E459-K575 WeakPolarHBondContact OE1-CE 3.39Å; E459-K575 IonicContact OE1-NZ 2.87Å; E459-K575 PolarHBondContact OE1-NZ 3.07Å; E459-K575 IonicContact OE2-NZ 3.13Å; K575-C577 PolarHBondContact O-N 3.23Å
576G91Very high90.7Very high5 Ų534 Ų345%0.05219%0.187CC..THydrogen-bonded Turntrans71.3-21-173.900000116.2D409 P421 Y574D409-G576 PolarHBondContact OD1-N 2.97Å; D409-G576 VanDerWaalsContact OD1-N 3.14Å; P421-G576 WeakPolarHBondContact CG-O 3.35Å; Y574-G576 PolarHBondContact O-N 2.89Å
577C94Very high91Very high2 Ų234.5 Ų34.51%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-83.3138.3-177.6-70.80000113Y344 L573 Y574 K575 Y579Y344-C577 PolarHBondContact OH-SG 2.88Å; Y344-C577 VanDerWaalsContact OH-SG 3.33Å; L573-C577 CarbonylContact C-O 3.48Å; L573-C577 VanDerWaalsContact CA-O 3.22Å; L573-C577 WeakPolarHBondContact CA-O 3.28Å; Y574-C577 PolarHBondContact N-O 2.8Å; Y574-C577 PolarHBondContact O-N 3.12Å; K575-C577 PolarHBondContact O-N 3.23Å; C577-Y579 HydrophobicContact CB-CE2 3.78Å; C577-Y579 WeakPolarHBondContact O-CD2 3.38Å; C577-Y579 WeakPolarHBondContact O-CE2 3.27Å
578P93.6Very high91.2Very high53 Ų5332.8 Ų32.834%0.34417%0.169SC..EExtended strand (participates in β ladder)trans-79.2130.4171.332.4-32000111.5T571 L572 L573T571-P578 HydrophobicContact CG2-CB 4.37Å; L572-P578 CarbonylContact O-C 3.52Å; L572-P578 WeakPolarHBondContact O-CA 3.41Å; L573-P578 HydrophobicContact CD1-CB 4.44Å; L573-P578 HydrophobicContact CG-CB 4.43Å
579Y94.4Very high91Very high17 Ų1735.1 Ų35.17%0.06718%0.179CC..EExtended strand (participates in β ladder)trans-118.2125.3171.1-59.4-84.1000109.3I453 L455 L463 T571 L572 Y574 C577I453-Y579 PolarHBondContact O-OH 2.92Å; I453-Y579 VanDerWaalsContact O-OH 3.09Å; L455-Y579 HydrophobicContact CD1-CD1 4.31Å; L455-Y579 HydrophobicContact CD1-CE1 3.77Å; L455-Y579 HydrophobicContact CD1-CE2 4.07Å; L455-Y579 WeakPolarHBondContact CD2-OH 3.36Å; L455-Y579 HydrophobicContact CG-CE1 4.01Å; L455-Y579 WeakPolarHBondContact CG-OH 3.01Å; L463-Y579 HydrophobicContact CD1-CD2 4.45Å; L463-Y579 HydrophobicContact CD2-CD1 4.12Å; L463-Y579 HydrophobicContact CD2-CD2 3.95Å; L463-Y579 HydrophobicContact CD2-CG 3.59Å; T571-Y579 VanDerWaalsContact CA-O 3.29Å; T571-Y579 WeakPolarHBondContact CA-O 3.45Å; L572-Y579 PolarHBondContact N-O 3.07Å; L572-Y579 PolarHBondContact O-N 3.15Å; Y574-Y579 HydrophobicContact CD1-CE2 4.4Å; Y574-Y579 WeakPolarHBondContact O-CE2 3.37Å; C577-Y579 HydrophobicContact CB-CE2 3.78Å; C577-Y579 WeakPolarHBondContact O-CD2 3.38Å; C577-Y579 WeakPolarHBondContact O-CE2 3.27Å
580E94.2Very high90.5Very high103 Ų10336.4 Ų36.448%0.48119%0.19SC..EExtended strand (participates in β ladder)trans-102103.2-180-176.2174.3132.300110P505 K569P505-E580 VanDerWaalsContact CD-O 3.3Å; P505-E580 WeakPolarHBondContact CD-O 3.34Å; P505-E580 VanDerWaalsContact CG-O 3.3Å; P505-E580 WeakPolarHBondContact CG-O 3.14Å; K569-E580 HydrophobicContact CD-CG 4.2Å; K569-E580 WeakPolarHBondContact CE-OE1 3.43Å; K569-E580 WeakPolarHBondContact CE-OE2 3.46Å; K569-E580 HydrophobicContact CG-CG 4.05Å; K569-E580 IonicContact NZ-OE1 2.77Å; K569-E580 PolarHBondContact NZ-OE1 3.36Å; K569-E580 IonicContact NZ-OE2 3.96Å; K569-E580 PolarHBondContact NZ-OE2 3.31Å
581L95.1Very high90.1Very high2 Ų243.2 Ų43.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-97.9157.1178.6-54.498.3000110.4L463 A467 V502 D503 V504 K569 V570 L572L463-L581 HydrophobicContact CD1-CD1 4.48Å; L463-L581 HydrophobicContact CD2-CD1 4.16Å; L463-L581 HydrophobicContact CD2-CD2 4.2Å; L463-L581 HydrophobicContact CG-CD1 4.08Å; L463-L581 HydrophobicContact CG-CD2 4.04Å; A467-L581 HydrophobicContact CB-CB 4.3Å; A467-L581 HydrophobicContact CB-CD1 4.15Å; A467-L581 HydrophobicContact CB-CD2 3.87Å; A467-L581 HydrophobicContact CB-CG 4.34Å; V502-L581 HydrophobicContact CG1-CD2 4.23Å; D503-L581 WeakPolarHBondContact O-CA 3.47Å; V504-L581 HydrophobicContact CB-CD2 4.49Å; V504-L581 HydrophobicContact CG1-CD2 4.05Å; V504-L581 HydrophobicContact CG2-CD2 4.15Å; K569-L581 WeakPolarHBondContact CA-O 3.4Å; V570-L581 PolarHBondContact N-O 3.32Å; V570-L581 PolarHBondContact O-N 3.16Å; L572-L581 HydrophobicContact CD1-CD1 4.44Å; L572-L581 HydrophobicContact CG-CD1 4.46Å
582K93.4Very high89.5Confident64 Ų6445.9 Ų45.928%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-124.1111.4171.6-164.7178.4-178.1-174.10110.2V502 D503 G568 L584 M592V502-K582 WeakPolarHBondContact CA-O 3.46Å; D503-K582 HydrophobicContact CB-CB 4.08Å; D503-K582 PolarHBondContact N-O 3.49Å; D503-K582 PolarHBondContact O-N 2.96Å; G568-K582 CarbonylContact O-C 3.42Å; G568-K582 WeakPolarHBondContact O-CA 3.45Å; K582-L584 HydrophobicContact CD-CD1 4.44Å; K582-L584 HydrophobicContact CG-CG 4.31Å; K582-M592 PolarHBondContact NZ-SD 2.75Å
583V94.3Very high88.7Confident0 Ų053.6 Ų53.60%026%0.263CS..EExtended strand (participates in β ladder)trans-105.7117.2179.2-171.30000108.9A467 F471 F500 A501 V502 G568 V570A467-V583 HydrophobicContact CB-CG2 4.06Å; F471-V583 HydrophobicContact CB-CB 3.86Å; F471-V583 HydrophobicContact CB-CG1 3.73Å; F471-V583 HydrophobicContact CB-CG2 4.21Å; F471-V583 HydrophobicContact CD1-CB 4.06Å; F471-V583 HydrophobicContact CD1-CG1 3.57Å; F471-V583 HydrophobicContact CD2-CB 4.33Å; F471-V583 HydrophobicContact CE1-CG1 4.38Å; F471-V583 HydrophobicContact CG-CB 3.81Å; F471-V583 HydrophobicContact CG-CG1 3.74Å; F500-V583 HydrophobicContact CB-CG1 3.71Å; F500-V583 HydrophobicContact CD1-CG1 4.26Å; F500-V583 HydrophobicContact CG-CG1 3.96Å; A501-V583 WeakPolarHBondContact O-CA 3.25Å; V502-V583 HydrophobicContact CG1-CG2 4.13Å; V502-V583 HydrophobicContact CG2-CG1 4.31Å; V502-V583 HydrophobicContact CG2-CG2 4.46Å; G568-V583 WeakPolarHBondContact CA-O 3.33Å; G568-V583 PolarHBondContact O-N 3.47Å; V570-V583 HydrophobicContact CG2-CG2 4.07Å
584L90.9Very high88.2Confident19 Ų1959.1 Ų59.110%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-126.5153.7179.1-68.9177.2000110F500 A501 K582 A588 H589 M592F500-L584 CarbonylContact C-O 3.47Å; F500-L584 WeakPolarHBondContact CA-O 3.43Å; F500-L584 WeakPolarHBondContact CB-O 2.95Å; A501-L584 PolarHBondContact N-O 3.04Å; A501-L584 PolarHBondContact O-N 3.43Å; K582-L584 HydrophobicContact CD-CD1 4.44Å; K582-L584 HydrophobicContact CG-CG 4.31Å; L584-A588 HydrophobicContact CB-CB 4.45Å; L584-H589 HydrophobicContact CB-CB 4.13Å; L584-H589 HydrophobicContact CD1-CB 4.38Å; L584-M592 HydrophobicContact CD1-CG 3.43Å; L584-M592 VanDerWaalsContact CD1-CG 3.43Å; L584-M592 HydrophobicContact CD1-SD 3.99Å
585N85.9Confident87.4Confident63 Ų6364.3 Ų64.334%0.33731%0.314SS..EExtended strand (participates in β ladder)trans-61.5149.2165.171-4.8000109.3F500 K587 A588 H589F500-N585 HydrophobicContact CD1-CB 4.46Å; N585-K587 PolarHBondContact O-N 3.48Å; N585-A588 PolarHBondContact O-N 2.99Å; N585-A588 WeakPolarHBondContact OD1-CA 3.44Å; N585-A588 WeakPolarHBondContact OD1-CB 3.47Å; N585-A588 PolarHBondContact OD1-N 2.93Å; N585-H589 PolarHBondContact O-N 3.18Å
586A78.1Confident86.5Confident35 Ų3567.6 Ų67.629%0.28934%0.339SS..Hα-helixtrans-53.6-34.8-174.800000112.8R499 L515 N590R499-A586 PolarHBondContact O-N 3.09Å; L515-A586 HydrophobicContact CD1-CB 4.46Å; A586-N590 PolarHBondContact O-N 3.02Å; A586-N590 VanDerWaalsContact O-N 3.16Å; A586-N590 PolarHBondContact O-ND2 3.19Å
587K81.3Confident85.6Confident134 Ų13476.1 Ų76.158%0.58338%0.377SS*.Hα-helixtrans-67.8-45.7177.4-168.8173.6-177.8176.50113.2N585 N590 Y591N585-K587 PolarHBondContact O-N 3.48Å; K587-N590 PolarHBondContact O-N 3.07Å; K587-Y591 HydrophobicContact CD-CE2 4.47Å; K587-Y591 WeakPolarHBondContact CE-OH 3.34Å; K587-Y591 HydrophobicContact CG-CD2 4.5Å; K587-Y591 HydrophobicContact CG-CE2 3.93Å; K587-Y591 PolarHBondContact O-N 3.05Å
588A83.1Confident84.4Confident32 Ų3281.6 Ų81.626%0.26441%0.413SS..Hα-helixtrans-69.6-36.2178.400000111.5L584 N585 N590 Y591 M592L584-A588 HydrophobicContact CB-CB 4.45Å; N585-A588 PolarHBondContact O-N 2.99Å; N585-A588 WeakPolarHBondContact OD1-CA 3.44Å; N585-A588 WeakPolarHBondContact OD1-CB 3.47Å; N585-A588 PolarHBondContact OD1-N 2.93Å; A588-N590 VanDerWaalsContact C-N 3.3Å; A588-N590 PolarHBondContact O-N 3.05Å; A588-Y591 PolarHBondContact O-N 3.32Å; A588-M592 PolarHBondContact O-N 3.32Å; A588-M592 VanDerWaalsContact O-N 3.07Å
589H83.3Confident83.2Confident48 Ų4890.9 Ų90.922%0.22244%0.441CS..Hα-helixtrans-57.3-45.2172.9-177.380.5000111.3A501 D503 S513 L584 N585 Y591 M592A501-H589 HydrophobicContact CB-CB 3.48Å; A501-H589 VanDerWaalsContact CB-CB 3.48Å; D503-H589 IonicContact OD1-CE1 3.07Å; D503-H589 PolarHBondContact OD1-CE1 2.72Å; D503-H589 IonicContact OD1-ND1 2.72Å; D503-H589 IonicContact OD2-CE1 3.69Å; D503-H589 IonicContact OD2-ND1 2.91Å; S513-H589 PolarHBondContact OG-CE1 2.77Å; L584-H589 HydrophobicContact CB-CB 4.13Å; L584-H589 HydrophobicContact CD1-CB 4.38Å; N585-H589 PolarHBondContact O-N 3.18Å; H589-Y591 PolarHBondContact O-N 3.42Å; H589-M592 WeakPolarHBondContact O-CB 3.41Å; H589-M592 PolarHBondContact O-N 2.88Å
590N81.7Confident81.6Confident99 Ų9999.2 Ų99.253%0.52948%0.481SS..Hα-helixtrans-60.3-28.1175.3-75.9-20.5000114A586 K587 A588 K593A586-N590 PolarHBondContact O-N 3.02Å; A586-N590 VanDerWaalsContact O-N 3.16Å; A586-N590 PolarHBondContact O-ND2 3.19Å; K587-N590 PolarHBondContact O-N 3.07Å; A588-N590 VanDerWaalsContact C-N 3.3Å; A588-N590 PolarHBondContact O-N 3.05Å; N590-K593 WeakPolarHBondContact O-CE 2.87Å; N590-K593 WeakPolarHBondContact O-CG 3.36Å
591Y84.4Confident79.9Confident143 Ų143102.2 Ų102.256%0.56150%0.497SS*.Hα-helixtrans-83.2-19175.7-65.5-35000113.8K587 A588 H589 K593 H594K587-Y591 HydrophobicContact CD-CE2 4.47Å; K587-Y591 WeakPolarHBondContact CE-OH 3.34Å; K587-Y591 HydrophobicContact CG-CD2 4.5Å; K587-Y591 HydrophobicContact CG-CE2 3.93Å; K587-Y591 PolarHBondContact O-N 3.05Å; A588-Y591 PolarHBondContact O-N 3.32Å; H589-Y591 PolarHBondContact O-N 3.42Å; Y591-K593 PolarHBondContact O-N 3.28Å; Y591-H594 WeakPolarHBondContact O-CB 3.11Å; Y591-H594 PolarHBondContact O-N 3.37Å
592M80.6Confident78.6Confident65 Ų65107.4 Ų107.432%0.3253%0.525SS..Hα-helixtrans-58.8-31.3-179.2-77-60.3-39.100113.3K582 L584 A588 H589 H594 M595K582-M592 PolarHBondContact NZ-SD 2.75Å; L584-M592 HydrophobicContact CD1-CG 3.43Å; L584-M592 VanDerWaalsContact CD1-CG 3.43Å; L584-M592 HydrophobicContact CD1-SD 3.99Å; A588-M592 PolarHBondContact O-N 3.32Å; A588-M592 VanDerWaalsContact O-N 3.07Å; H589-M592 WeakPolarHBondContact O-CB 3.41Å; H589-M592 PolarHBondContact O-N 2.88Å; M592-H594 PolarHBondContact O-N 3.39Å; M592-H594 VanDerWaalsContact O-N 3.09Å; M592-M595 HydrophobicContact CE-CB 3.83Å; M592-M595 HydrophobicContact CE-CG 4.21Å; M592-M595 VanDerWaalsContact O-CB 3.27Å; M592-M595 WeakPolarHBondContact O-CB 3.39Å; M592-M595 PolarHBondContact O-N 2.92Å
593K78.4Confident77.3Confident163 Ų163108.1 Ų108.171%0.70954%0.535SS*.THydrogen-bonded Turntrans-61.4-16.2176.372.1-171.5178.6179.60114N590 Y591N590-K593 WeakPolarHBondContact O-CE 2.87Å; N590-K593 WeakPolarHBondContact O-CG 3.36Å; Y591-K593 PolarHBondContact O-N 3.28Å
594H83.3Confident76.1Confident138 Ų138110.5 Ų110.564%0.63955%0.551SS**THydrogen-bonded Turntrans-97.2-3.5176.2-57.8-63.7000112.7Y591 M592Y591-H594 WeakPolarHBondContact O-CB 3.11Å; Y591-H594 PolarHBondContact O-N 3.37Å; M592-H594 PolarHBondContact O-N 3.39Å; M592-H594 VanDerWaalsContact O-N 3.09Å
595M79Confident75.1Confident129 Ų129120.2 Ų120.264%0.63559%0.587SS**SBendtrans-79.6124.8178.8-161.272.5-16500110M592M592-M595 HydrophobicContact CE-CB 3.83Å; M592-M595 HydrophobicContact CE-CG 4.21Å; M592-M595 VanDerWaalsContact O-CB 3.27Å; M592-M595 WeakPolarHBondContact O-CB 3.39Å; M592-M595 PolarHBondContact O-N 2.92Å
596P77.4Confident74.7Confident105 Ų105121.1 Ų121.168%0.68259%0.594SS**PPolyproline II helixtrans-62.6140.3176.4-20.831.9000112.2
597E71.4Confident74.6Confident184 Ų184122.4 Ų122.486%0.8660%0.598SS**PPolyproline II helixtrans-68.1134.4172.4-68.3-170.9168.400110.9R599E597-R599 PolarHBondContact O-N 3.22Å
598P68.3Low74.5Confident118 Ų118120.6 Ų120.677%0.76660%0.595SS**PPolyproline II helixtrans-59.5128.3174.9-21.732000111.3Q600P598-Q600 PolarHBondContact O-N 3.05Å
599R67.7Low74.1Confident247 Ų247119.7 Ų119.793%0.93259%0.587SS**PPolyproline II helixtrans-59.2121.2172.6-81.7-176.3174.4172.8-1.1109.8E597E597-R599 PolarHBondContact O-N 3.22Å
600Q61.2Low73.3Confident192 Ų192120.7 Ų120.790%0.89760%0.598SS**PPolyproline II helixtrans-70.3132.4171.4-64.6-176.319.600109.5P598P598-Q600 PolarHBondContact O-N 3.05Å
601M59.9Low72.7Confident166 Ų166116.3 Ų116.382%0.81857%0.574SS**PPolyproline II helixtrans-70.7130.7174-71.7-179.26000109.9T603M601-T603 PolarHBondContact O-N 3.16Å; M601-T603 VanDerWaalsContact O-N 3.11Å
602D66Low72Confident111 Ų111112.5 Ų112.559%0.59457%0.567SS**  trans-73.2101.1171.6-179.411000110.1S604D602-S604 WeakPolarHBondContact OD1-CB 3.33Å; D602-S604 PolarHBondContact OD1-N 3.37Å; D602-S604 PolarHBondContact OD1-OG 3.46Å; D602-S604 PolarHBondContact OD2-OG 3.16Å
603T66.9Low71.5Confident80 Ų80109.6 Ų109.649%0.49155%0.553SS.*  trans-93.44.1175.855.40000113M601 R605 V606M601-T603 PolarHBondContact O-N 3.16Å; M601-T603 VanDerWaalsContact O-N 3.11Å; T603-R605 PolarHBondContact O-N 3.36Å; T603-V606 PolarHBondContact O-N 3.02Å
604S68.4Low71.1Confident50 Ų50103.9 Ų103.935%0.3553%0.53SS..THydrogen-bonded Turntrans-62.4-18.6-173.867.50000114.5D602D602-S604 WeakPolarHBondContact OD1-CB 3.33Å; D602-S604 PolarHBondContact OD1-N 3.37Å; D602-S604 PolarHBondContact OD1-OG 3.46Å; D602-S604 PolarHBondContact OD2-OG 3.16Å
605R70.7Confident70.8Confident223 Ų22397.4 Ų97.484%0.84250%0.5SS*.THydrogen-bonded Turntrans-97.65.7178.4-54.9-174.4-168-167.31.3113.7T603T603-R605 PolarHBondContact O-N 3.36Å
606V77Confident70.4Confident81 Ų8195.6 Ų95.649%0.49149%0.488SS..  trans-123.2123.6-175.4-1730000110T603 L608T603-V606 PolarHBondContact O-N 3.02Å; V606-L608 HydrophobicContact CG1-CD2 3.65Å; V606-L608 HydrophobicContact CG1-CG 3.99Å; V606-L608 PolarHBondContact O-N 3.04Å
607V75.9Confident70.4Confident62 Ų6292.1 Ų92.138%0.37647%0.467SS..  trans-81.4110.5170.4-171.70000108.4L644 P647V607-L644 HydrophobicContact CG1-CB 3.97Å; V607-P647 HydrophobicContact CG2-CG 4.33Å
608L79Confident71.1Confident97 Ų9785.8 Ų85.851%0.50844%0.44SS..  trans-104.3138.1179.8-65.2175000110.6V606V606-L608 HydrophobicContact CG1-CD2 3.65Å; V606-L608 HydrophobicContact CG1-CG 3.99Å; V606-L608 PolarHBondContact O-N 3.04Å
609A75.4Confident71.8Confident12 Ų1283.3 Ų83.310%0.09942%0.421CS..  trans-63.1128.8170.600000109.5M611 I635 M665A609-M611 PolarHBondContact O-N 3.04Å; A609-I635 HydrophobicContact CB-CD1 4.35Å; A609-M665 HydrophobicContact CB-CB 4.12Å; A609-M665 HydrophobicContact CB-CE 3.61Å; A609-M665 HydrophobicContact CB-SD 3.86Å
610P67.8Low72.6Confident70 Ų7072.1 Ų72.146%0.45538%0.38SS..SBendtrans-70.9-23.4178.328.9-34.5000112.1L349 L644L349-P610 HydrophobicContact CD2-CB 4.27Å; L349-P610 WeakPolarHBondContact CD2-O 3.35Å; P610-L644 VanDerWaalsContact CD-CD2 3.5Å; P610-L644 HydrophobicContact CG-CD2 4.33Å
611M68.8Low73.8Confident6 Ų670 Ų703%0.0337%0.37CS..SBendtrans-146.1156.5-17866.5-173.7-176.100110.9L349 P350 A609 G613 I635 A637 N642L349-M611 HydrophobicContact CD1-CB 4.3Å; L349-M611 HydrophobicContact CD1-CG 4.43Å; L349-M611 HydrophobicContact CD1-SD 3.81Å; L349-M611 HydrophobicContact CD2-CB 4.36Å; L349-M611 HydrophobicContact CG-CB 4.29Å; P350-M611 HydrophobicContact CG-SD 4.47Å; A609-M611 PolarHBondContact O-N 3.04Å; M611-G613 PolarHBondContact O-N 2.79Å; M611-I635 HydrophobicContact CE-CD1 4.22Å; M611-I635 HydrophobicContact CE-CG1 4.49Å; M611-I635 HydrophobicContact CG-CD1 4.17Å; M611-A637 HydrophobicContact CE-CB 3.56Å; M611-A637 HydrophobicContact SD-CB 4.09Å; M611-N642 HydrophobicContact CE-CB 4.4Å; M611-N642 WeakPolarHBondContact CE-ND2 3.38Å
612P69Low75.1Confident64 Ų6466.6 Ų66.642%0.41636%0.358SS..  trans-62.6133.7167.7-19.232.8000110.7V352 A637V352-P612 HydrophobicContact CG2-CB 3.63Å; V352-P612 HydrophobicContact CG2-CG 3.63Å; P612-A637 WeakPolarHBondContact O-CB 3.47Å
613G69.3Low75.9Confident3 Ų363.7 Ų63.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-161.1168.7-178.200000113.2M611 K664 M665M611-G613 PolarHBondContact O-N 2.79Å; G613-K664 WeakPolarHBondContact O-CA 3.29Å; G613-M665 PolarHBondContact O-N 3.47Å
614M71.6Confident76.7Confident43 Ų4363 Ų6321%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-86.1126.3171.4-170.4178.1-51.600109.2I381 Y382 K616 I635 E636I381-M614 HydrophobicContact CD1-CE 4.46Å; Y382-M614 HydrophobicContact CE1-CE 4.01Å; M614-K616 PolarHBondContact O-N 3.47Å; M614-I635 CarbonylContact O-C 3.55Å; M614-I635 WeakPolarHBondContact O-CA 3.26Å; M614-E636 PolarHBondContact N-O 2.99Å; M614-E636 PolarHBondContact O-N 3.2Å
615I75.7Confident77.6Confident3 Ų368.7 Ų68.72%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-68.3123.7172.5-62.3174.5000108.3V618 I635 A663 M665I615-V618 HydrophobicContact CG2-CG2 3.63Å; I615-I635 HydrophobicContact CG1-CG2 4.35Å; I615-A663 VanDerWaalsContact CB-O 3.32Å; I615-A663 WeakPolarHBondContact CB-O 3.39Å; I615-A663 HydrophobicContact CD1-CB 4.17Å; I615-A663 VanDerWaalsContact CG1-O 3.3Å; I615-A663 WeakPolarHBondContact CG1-O 3.27Å; I615-A663 PolarHBondContact N-O 3.08Å; I615-M665 HydrophobicContact CD1-CG 3.7Å; I615-M665 HydrophobicContact CG1-CG 3.77Å
616K70.2Confident78.2Confident90 Ų9058.5 Ų58.539%0.39133%0.327SS..EExtended strand (participates in β ladder)trans-89.7-45.8173.6-70.9-68.5-108.4-155.90111.2M614 V634 E636M614-K616 PolarHBondContact O-N 3.47Å; K616-V634 HydrophobicContact CB-CB 4.41Å; K616-V634 HydrophobicContact CB-CG1 4.29Å; K616-V634 PolarHBondContact N-O 3.23Å; K616-E636 HydrophobicContact CD-CB 3.94Å; K616-E636 VanDerWaalsContact CD-OE2 3.25Å; K616-E636 WeakPolarHBondContact CD-OE2 3.34Å; K616-E636 VanDerWaalsContact CE-CD 3.46Å; K616-E636 WeakPolarHBondContact CE-OE2 3.42Å; K616-E636 HydrophobicContact CG-CB 3.51Å; K616-E636 VanDerWaalsContact NZ-CD 3.26Å; K616-E636 IonicContact NZ-OE1 3.69Å; K616-E636 PolarHBondContact NZ-OE1 2.83Å; K616-E636 IonicContact NZ-OE2 2.81Å; K616-E636 PolarHBondContact NZ-OE2 3.37Å
617S78.5Confident78.4Confident33 Ų3357.9 Ų57.923%0.23133%0.326CS..EExtended strand (participates in β ladder)trans-148.1150.7176.669.60000110.5N619 C633 V634S617-N619 VanDerWaalsContact CB-OD1 3.27Å; S617-N619 WeakPolarHBondContact CB-OD1 3.33Å; S617-N619 PolarHBondContact OG-OD1 2.95Å; S617-C633 WeakPolarHBondContact O-CA 3.43Å; S617-C633 PolarHBondContact O-SG 3.4Å; S617-C633 VanDerWaalsContact O-SG 3.33Å; S617-V634 PolarHBondContact N-O 2.95Å; S617-V634 PolarHBondContact O-N 2.9Å
618V84.9Confident78.6Confident50 Ų5061.4 Ų61.430%0.30334%0.338SS..EExtended strand (participates in β ladder)trans-117.4116.1167.5-179.10000104.8I615 V620 V655I615-V618 HydrophobicContact CG2-CG2 3.63Å; V618-V620 WeakPolarHBondContact CG1-O 2.98Å; V618-V655 HydrophobicContact CG1-CG1 3.81Å
619N84.2Confident78.4Confident67 Ų6758.9 Ų58.936%0.35834%0.336SS..  trans-103.211.3-170.5-60.9-10.2000111.6S617 E631 T632S617-N619 VanDerWaalsContact CB-OD1 3.27Å; S617-N619 WeakPolarHBondContact CB-OD1 3.33Å; S617-N619 PolarHBondContact OG-OD1 2.95Å; N619-E631 PolarHBondContact ND2-OE1 2.92Å; N619-T632 PolarHBondContact N-O 3.19Å
620V84.4Confident78.6Confident12 Ų1261.2 Ų61.27%0.07334%0.344CS..  trans-134.9147.3178.5-63.30000112.8V618 V626 T632 V652 V655V618-V620 WeakPolarHBondContact CG1-O 2.98Å; V620-V626 HydrophobicContact CB-CG1 4.31Å; V620-V626 HydrophobicContact CG1-CG1 3.55Å; V620-T632 HydrophobicContact CG1-CG2 4.17Å; V620-T632 HydrophobicContact CG2-CG2 4.39Å; V620-V652 HydrophobicContact CB-CG2 4.16Å; V620-V652 HydrophobicContact CG2-CG2 4.2Å; V620-V655 HydrophobicContact CG2-CG2 4.36Å
621E85.5Confident79.3Confident148 Ų14861.5 Ų61.569%0.69234%0.34SS*.  trans-111.8155.7177.6-64-178.5178.100111.8G623 Q624 V652E621-G623 PolarHBondContact O-N 3.48Å; E621-Q624 HydrophobicContact CB-CB 4.48Å; E621-Q624 WeakPolarHBondContact O-CB 3.4Å; E621-Q624 PolarHBondContact O-N 2.82Å; E621-V652 WeakPolarHBondContact O-CB 3.42Å
622V87.8Confident80Confident94 Ų9461.8 Ų61.857%0.5734%0.342SS*.THydrogen-bonded Turntrans-62.8129.6173.7177.60000109.2Q624 K653 V655V622-Q624 VanDerWaalsContact C-N 3.33Å; V622-K653 WeakPolarHBondContact CG1-O 3.46Å; V622-V655 HydrophobicContact CG2-CB 4.32Å; V622-V655 HydrophobicContact CG2-CG2 4.05Å
623G82.2Confident80.5Confident50 Ų5059.4 Ų59.452%0.51533%0.326SS..THydrogen-bonded Turntrans89.1-10.5-174.400000114.5E621 T651 V652E621-G623 PolarHBondContact O-N 3.48Å; G623-T651 WeakPolarHBondContact O-CG2 3.48Å; G623-V652 PolarHBondContact N-O 3.21Å
624Q85.3Confident80.8Confident65 Ų6559.9 Ų59.930%0.30433%0.329SS..  trans-68.6135.1175-172.8177.7-6.500110.8E621 V622 T651 V652E621-Q624 HydrophobicContact CB-CB 4.48Å; E621-Q624 WeakPolarHBondContact O-CB 3.4Å; E621-Q624 PolarHBondContact O-N 2.82Å; V622-Q624 VanDerWaalsContact C-N 3.33Å; Q624-T651 WeakPolarHBondContact O-CA 3.46Å; Q624-V652 PolarHBondContact O-N 3.18Å
625K86.2Confident80.9Confident170 Ų17057.9 Ų57.974%0.73932%0.319SS*.EExtended strand (participates in β ladder)trans-76126.5167.3-72.5-177.1179.4177.90109.2G650K625-G650 WeakPolarHBondContact CA-O 3.12Å
626V83.4Confident80.5Confident9 Ų960.1 Ų60.16%0.05533%0.329CS..EExtended strand (participates in β ladder)trans-116.8140.3176.1-65.10000109.5V620 Q630 A646 T649 G650 V652V620-V626 HydrophobicContact CB-CG1 4.31Å; V620-V626 HydrophobicContact CG1-CG1 3.55Å; V626-Q630 VanDerWaalsContact CA-OE1 3.28Å; V626-A646 HydrophobicContact CB-CB 4.31Å; V626-A646 HydrophobicContact CG2-CB 4.01Å; V626-T649 CarbonylContact O-C 3.57Å; V626-T649 VanDerWaalsContact O-CA 3.31Å; V626-T649 WeakPolarHBondContact O-CA 2.87Å; V626-G650 PolarHBondContact N-O 2.7Å; V626-G650 PolarHBondContact O-N 3.4Å; V626-V652 HydrophobicContact CG1-CG2 3.68Å; V626-V652 HydrophobicContact CG2-CG2 4.02Å
627S81.5Confident80.3Confident68 Ų6856 Ų5648%0.47631%0.312SS..  trans-88.5153172.2-57.20000110.3G629 Q630 A646S627-G629 PolarHBondContact O-N 2.82Å; S627-Q630 WeakPolarHBondContact O-CB 3.34Å; S627-Q630 PolarHBondContact O-N 3.45Å; S627-A646 WeakPolarHBondContact O-CB 3.37Å
628E79.2Confident79.6Confident135 Ų13555 Ų5563%0.63130%0.304SS*.THydrogen-bonded Turntrans-51.8134.6169.1-173.8172.4164.800111Q630 T649E628-Q630 PolarHBondContact O-N 3.48Å; E628-T649 PolarHBondContact N-OG1 3.19Å
629G75.4Confident78.3Confident44 Ų4456.8 Ų56.845%0.45431%0.308SS..THydrogen-bonded Turntrans79.7-7.4-17600000115.2S627 A646S627-G629 PolarHBondContact O-N 2.82Å; G629-A646 PolarHBondContact N-O 2.98Å
630Q79.9Confident77.2Confident61 Ų6156.6 Ų56.629%0.28531%0.305SS..  trans-66.9135.9175.6-174.5177.1-22.600111V626 S627 E628 T632 L645 A646V626-Q630 VanDerWaalsContact CA-OE1 3.28Å; S627-Q630 WeakPolarHBondContact O-CB 3.34Å; S627-Q630 PolarHBondContact O-N 3.45Å; E628-Q630 PolarHBondContact O-N 3.48Å; Q630-T632 PolarHBondContact O-N 3.31Å; Q630-L645 WeakPolarHBondContact O-CA 3.22Å; Q630-A646 PolarHBondContact O-N 3.32Å
631E81.7Confident76.4Confident76 Ų7661.6 Ų61.636%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-66.2126.7176175.3169.885.100111.3N619 V634 S643 L645N619-E631 PolarHBondContact ND2-OE1 2.92Å; E631-V634 HydrophobicContact CG-CG2 4.29Å; E631-V634 WeakPolarHBondContact OE2-CG2 3.39Å; E631-S643 VanDerWaalsContact CD-OG 3.26Å; E631-S643 WeakPolarHBondContact CG-OG 3.12Å; E631-S643 WeakPolarHBondContact OE2-CB 3.32Å; E631-S643 PolarHBondContact OE2-OG 3.28Å; E631-L645 HydrophobicContact CB-CD2 4.19Å
632T83.5Confident75.5Confident13 Ų1356.8 Ų56.88%0.0831%0.307CS..EExtended strand (participates in β ladder)trans-104.7-41.9-179.565.10000112.4N619 V620 Q630 L644 A646N619-T632 PolarHBondContact N-O 3.19Å; V620-T632 HydrophobicContact CG1-CG2 4.17Å; V620-T632 HydrophobicContact CG2-CG2 4.39Å; Q630-T632 PolarHBondContact O-N 3.31Å; T632-L644 PolarHBondContact N-O 3.2Å; T632-L644 PolarHBondContact OG1-O 2.79Å; T632-A646 HydrophobicContact CG2-CB 3.89Å
633C80.3Confident74.8Confident13 Ų1354.7 Ų54.79%0.08830%0.297CS..EExtended strand (participates in β ladder)trans-156.2141.3-175.3175.30000109.7S617 L644S617-C633 WeakPolarHBondContact O-CA 3.43Å; S617-C633 PolarHBondContact O-SG 3.4Å; S617-C633 VanDerWaalsContact O-SG 3.33Å; C633-L644 HydrophobicContact CB-CB 4.48Å; C633-L644 HydrophobicContact CB-CD1 4.35Å; C633-L644 WeakPolarHBondContact O-CB 3.29Å; C633-L644 PolarHBondContact O-N 2.93Å
634V75.6Confident74.7Confident14 Ų1453 Ų539%0.08528%0.275CS..EExtended strand (participates in β ladder)trans-106.6121.6173.4-177.80000108.5K616 S617 E631 Q641K616-V634 HydrophobicContact CB-CB 4.41Å; K616-V634 HydrophobicContact CB-CG1 4.29Å; K616-V634 PolarHBondContact N-O 3.23Å; S617-V634 PolarHBondContact N-O 2.95Å; S617-V634 PolarHBondContact O-N 2.9Å; E631-V634 HydrophobicContact CG-CG2 4.29Å; E631-V634 WeakPolarHBondContact OE2-CG2 3.39Å; V634-Q641 HydrophobicContact CG1-CB 4.13Å
635I74Confident74.5Confident0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-106.5140.2173.262.6170.7000110.4A609 M611 M614 I615 Q641 N642 L644 M665A609-I635 HydrophobicContact CB-CD1 4.35Å; M611-I635 HydrophobicContact CE-CD1 4.22Å; M611-I635 HydrophobicContact CE-CG1 4.49Å; M611-I635 HydrophobicContact CG-CD1 4.17Å; M614-I635 CarbonylContact O-C 3.55Å; M614-I635 WeakPolarHBondContact O-CA 3.26Å; I615-I635 HydrophobicContact CG1-CG2 4.35Å; I635-Q641 CarbonylContact O-C 3.55Å; I635-Q641 VanDerWaalsContact O-CA 3.3Å; I635-Q641 WeakPolarHBondContact O-CA 3.47Å; I635-N642 HydrophobicContact CG1-CB 4.07Å; I635-N642 WeakPolarHBondContact CG1-O 3.4Å; I635-N642 PolarHBondContact N-O 3.41Å; I635-N642 PolarHBondContact O-N 3.11Å; I635-L644 HydrophobicContact CD1-CD2 4.39Å; I635-L644 HydrophobicContact CG2-CD1 4.15Å; I635-M665 HydrophobicContact CG2-CE 3.75Å
636E67.7Low74.1Confident50 Ų5046.4 Ų46.423%0.23425%0.25CS..EExtended strand (participates in β ladder)trans-111.8124.5172.3179.8179.9-125.800109.6M614 K616 M640 Q641M614-E636 PolarHBondContact N-O 2.99Å; M614-E636 PolarHBondContact O-N 3.2Å; K616-E636 HydrophobicContact CD-CB 3.94Å; K616-E636 VanDerWaalsContact CD-OE2 3.25Å; K616-E636 WeakPolarHBondContact CD-OE2 3.34Å; K616-E636 VanDerWaalsContact CE-CD 3.46Å; K616-E636 WeakPolarHBondContact CE-OE2 3.42Å; K616-E636 HydrophobicContact CG-CB 3.51Å; K616-E636 VanDerWaalsContact NZ-CD 3.26Å; K616-E636 IonicContact NZ-OE1 3.69Å; K616-E636 PolarHBondContact NZ-OE1 2.83Å; K616-E636 IonicContact NZ-OE2 2.81Å; K616-E636 PolarHBondContact NZ-OE2 3.37Å; E636-M640 WeakPolarHBondContact CA-O 3.35Å; E636-Q641 HydrophobicContact CB-CG 4.24Å; E636-Q641 HydrophobicContact CG-CG 4.36Å
637A65.4Low73.7Confident3 Ų349.1 Ų49.13%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-140.4135.8165.300000109M611 P612 K639 M640M611-A637 HydrophobicContact CE-CB 3.56Å; M611-A637 HydrophobicContact SD-CB 4.09Å; P612-A637 WeakPolarHBondContact O-CB 3.47Å; A637-K639 PolarHBondContact O-N 2.79Å; A637-K639 VanDerWaalsContact O-N 3.12Å; A637-M640 PolarHBondContact N-O 3.04Å; A637-M640 PolarHBondContact O-N 2.87Å
638M64.4Low73.5Confident13 Ų1352.4 Ų52.46%0.06427%0.274CS..THydrogen-bonded Turntrans53.840.8170.4-43.6-171.489.200112P350 V352 I379 S380 I381 Y383 P385 M640P350-M638 HydrophobicContact CB-CG 4.22Å; P350-M638 HydrophobicContact CB-SD 3.21Å; P350-M638 WeakPolarHBondContact CB-SD 3.36Å; P350-M638 HydrophobicContact CG-SD 4.12Å; V352-M638 HydrophobicContact CG1-CE 4.33Å; V352-M638 HydrophobicContact CG1-SD 3.89Å; I379-M638 HydrophobicContact CG2-CE 4.37Å; S380-M638 WeakPolarHBondContact O-CE 3.01Å; I381-M638 PolarHBondContact O-N 2.9Å; I381-M638 VanDerWaalsContact O-N 3.11Å; Y383-M638 WeakPolarHBondContact O-CE 3.44Å; P385-M638 HydrophobicContact CB-CE 3.36Å; P385-M638 HydrophobicContact CB-SD 4.01Å; P385-M638 HydrophobicContact CG-CE 3.81Å; P385-M638 HydrophobicContact CG-SD 4.16Å; P385-M638 VanDerWaalsContact N-CE 3.33Å; M638-M640 PolarHBondContact O-N 3.4Å
639K57.1Low73.8Confident88 Ų8850.9 Ų50.938%0.38327%0.274SS..THydrogen-bonded Turntrans66.92.6-177.1-51.9175.3179.4174.20116.6Y10 A637Y10-K639 PolarHBondContact OH-NZ 2.65Å; A637-K639 PolarHBondContact O-N 2.79Å; A637-K639 VanDerWaalsContact O-N 3.12Å
640M61.1Low74.3Confident62 Ų6250.3 Ų50.331%0.30527%0.269SS..EExtended strand (participates in β ladder)trans-93.5128.2169.8-63.4-149.7-62.600110P350 E636 A637 M638P350-M640 HydrophobicContact CG-CE 3.9Å; E636-M640 WeakPolarHBondContact CA-O 3.35Å; A637-M640 PolarHBondContact N-O 3.04Å; A637-M640 PolarHBondContact O-N 2.87Å; M638-M640 PolarHBondContact O-N 3.4Å
641Q66.3Low74.6Confident118 Ų11851.4 Ų51.455%0.55128%0.28SS*.EExtended strand (participates in β ladder)trans-96.1123.7166.7-68.3-178.15.300108.1V634 I635 E636V634-Q641 HydrophobicContact CG1-CB 4.13Å; I635-Q641 CarbonylContact O-C 3.55Å; I635-Q641 VanDerWaalsContact O-CA 3.3Å; I635-Q641 WeakPolarHBondContact O-CA 3.47Å; E636-Q641 HydrophobicContact CB-CG 4.24Å; E636-Q641 HydrophobicContact CG-CG 4.36Å
642N66.9Low74.7Confident46 Ų4648.8 Ų48.825%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-116.5122.9175.4-72.2-20.4000108.7M611 I635M611-N642 HydrophobicContact CE-CB 4.4Å; M611-N642 WeakPolarHBondContact CE-ND2 3.38Å; I635-N642 HydrophobicContact CG1-CB 4.07Å; I635-N642 WeakPolarHBondContact CG1-O 3.4Å; I635-N642 PolarHBondContact N-O 3.41Å; I635-N642 PolarHBondContact O-N 3.11Å
643S73.6Confident74.7Confident51 Ų5157.6 Ų57.636%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-78.4129.4171.3-175.40000109.9E631 L645E631-S643 VanDerWaalsContact CD-OG 3.26Å; E631-S643 WeakPolarHBondContact CG-OG 3.12Å; E631-S643 WeakPolarHBondContact OE2-CB 3.32Å; E631-S643 PolarHBondContact OE2-OG 3.28Å; S643-L645 VanDerWaalsContact OG-CD2 3.32Å; S643-L645 WeakPolarHBondContact OG-CD2 3.45Å
644L81.1Confident74.7Confident13 Ų1359.7 Ų59.77%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-95.1112.8173.1-57.8-178.8000108.4V607 P610 T632 C633 I635 M665V607-L644 HydrophobicContact CG1-CB 3.97Å; P610-L644 VanDerWaalsContact CD-CD2 3.5Å; P610-L644 HydrophobicContact CG-CD2 4.33Å; T632-L644 PolarHBondContact N-O 3.2Å; T632-L644 PolarHBondContact OG1-O 2.79Å; C633-L644 HydrophobicContact CB-CB 4.48Å; C633-L644 HydrophobicContact CB-CD1 4.35Å; C633-L644 WeakPolarHBondContact O-CB 3.29Å; C633-L644 PolarHBondContact O-N 2.93Å; I635-L644 HydrophobicContact CD1-CD2 4.39Å; I635-L644 HydrophobicContact CG2-CD1 4.15Å; L644-M665 HydrophobicContact CD1-CE 3.12Å
645L80.9Confident74.9Confident93 Ų9361.2 Ų61.249%0.48733%0.334SS..EExtended strand (participates in β ladder)trans-93.2147.4-176.6-51.4-177.7000111Q630 E631 S643 P647Q630-L645 WeakPolarHBondContact O-CA 3.22Å; E631-L645 HydrophobicContact CB-CD2 4.19Å; S643-L645 VanDerWaalsContact OG-CD2 3.32Å; S643-L645 WeakPolarHBondContact OG-CD2 3.45Å; L645-P647 WeakPolarHBondContact O-CD 3.38Å
646A77.5Confident74.9Confident4 Ų467.4 Ų67.43%0.03337%0.367CS..  trans-66120.6172.500000109.7V626 S627 G629 Q630 T632 K648V626-A646 HydrophobicContact CB-CB 4.31Å; V626-A646 HydrophobicContact CG2-CB 4.01Å; S627-A646 WeakPolarHBondContact O-CB 3.37Å; G629-A646 PolarHBondContact N-O 2.98Å; Q630-A646 PolarHBondContact O-N 3.32Å; T632-A646 HydrophobicContact CG2-CB 3.89Å; A646-K648 PolarHBondContact O-N 3.49Å
647P74.8Confident74.6Confident67 Ų6766.2 Ų66.244%0.43536%0.364SS..SBendtrans-73.2-18.6-17628.7-36000112.9V607 L645V607-P647 HydrophobicContact CG2-CG 4.33Å; L645-P647 WeakPolarHBondContact O-CD 3.38Å
648K77.3Confident73.7Confident137 Ų13767 Ų6760%0.59637%0.372SS*.SBendtrans-151.1153.9177.3-69-169.7177.5-179.70110.1A646 G650A646-K648 PolarHBondContact O-N 3.49Å; K648-G650 PolarHBondContact O-N 3.49Å
649T84.5Confident72.2Confident102 Ų10270.8 Ų70.863%0.62642%0.415SS*.SBendtrans-62.5131.5169.5-60.10000110.4V626 E628V626-T649 CarbonylContact O-C 3.57Å; V626-T649 VanDerWaalsContact O-CA 3.31Å; V626-T649 WeakPolarHBondContact O-CA 2.87Å; E628-T649 PolarHBondContact N-OG1 3.19Å
650G87.5Confident70.9Confident33 Ų3369.7 Ų69.734%0.3442%0.422SS..EExtended strand (participates in β ladder)trans-176.5-174-176.400000113.3K625 V626 K648K625-G650 WeakPolarHBondContact CA-O 3.12Å; V626-G650 PolarHBondContact N-O 2.7Å; V626-G650 PolarHBondContact O-N 3.4Å; K648-G650 PolarHBondContact O-N 3.49Å
651T85.4Confident69.7Low84 Ų8471.6 Ų71.652%0.51544%0.437SS..EExtended strand (participates in β ladder)trans-108.3131.5173.3-54.90000109G623 Q624 K653G623-T651 WeakPolarHBondContact O-CG2 3.48Å; Q624-T651 WeakPolarHBondContact O-CA 3.46Å; T651-K653 PolarHBondContact O-N 3.04Å
652V84.6Confident67.9Low21 Ų2172.5 Ų72.513%0.12744%0.439CS..  trans-66.2107.5-179.5177.90000109.3V620 E621 G623 Q624 V626 V655V620-V652 HydrophobicContact CB-CG2 4.16Å; V620-V652 HydrophobicContact CG2-CG2 4.2Å; E621-V652 WeakPolarHBondContact O-CB 3.42Å; G623-V652 PolarHBondContact N-O 3.21Å; Q624-V652 PolarHBondContact O-N 3.18Å; V626-V652 HydrophobicContact CG1-CG2 3.68Å; V626-V652 HydrophobicContact CG2-CG2 4.02Å; V652-V655 HydrophobicContact CG1-CG2 3.56Å
653K82Confident66.2Low197 Ų19771 Ų7186%0.85743%0.433SS*.  trans-73.8-38.5-179.5-176.3177.9179.4179.80112.6V622 T651V622-K653 WeakPolarHBondContact CG1-O 3.46Å; T651-K653 PolarHBondContact O-N 3.04Å
654A80.8Confident64.1Low57 Ų5774.5 Ų74.547%0.47144%0.442SS..  trans-157.1143.4-17800000110
655V79.2Confident61.8Low47 Ų4776 Ų7629%0.28545%0.449SS..  trans-114.5107.3169.2-178.50000107.3V618 V620 V622 V652 S657V618-V655 HydrophobicContact CG1-CG1 3.81Å; V620-V655 HydrophobicContact CG2-CG2 4.36Å; V622-V655 HydrophobicContact CG2-CB 4.32Å; V622-V655 HydrophobicContact CG2-CG2 4.05Å; V652-V655 HydrophobicContact CG1-CG2 3.56Å; V655-S657 WeakPolarHBondContact CG1-OG 3.26Å; V655-S657 PolarHBondContact O-N 3.45Å
656N74Confident59.3Low130 Ų13075.8 Ų75.870%0.69546%0.461SS*.  trans-88.628.1-174.1-65.6-38.4000113.4
657S61.7Low56.8Low25 Ų2581 Ų8118%0.17549%0.492CS..SBendtrans-94.5113.4165.660.40000107.3V655 G659V655-S657 WeakPolarHBondContact CG1-OG 3.26Å; V655-S657 PolarHBondContact O-N 3.45Å; S657-G659 PolarHBondContact O-N 2.94Å
658G47.4Very low54.4Low20 Ų2080.4 Ų80.421%0.20650%0.498CS..  trans-55.9124.3174.400000109.2A660 L672G658-A660 PolarHBondContact O-N 3.05Å; G658-L672 VanDerWaalsContact N-CD1 3.31Å
659G33Very low51.7Low92 Ų9282.8 Ų82.895%0.94851%0.509SS*.SBendtrans-59.832.6-155.900000119.2S657S657-G659 PolarHBondContact O-N 2.94Å
660A30.1Very low48.7Very low64 Ų6488.1 Ų88.153%0.52952%0.518SS..SBendtrans-101.8131.5162.800000108.8G658 K662 A663G658-A660 PolarHBondContact O-N 3.05Å; A660-K662 PolarHBondContact O-N 3.45Å; A660-A663 PolarHBondContact O-N 3.32Å; A660-A663 VanDerWaalsContact O-N 3.09Å
661T34Very low45.5Very low103 Ų10396.4 Ų96.463%0.63255%0.545SS*.THydrogen-bonded Turntrans-56.516.3171.2-1.30000114.5
662K29.8Very low42.6Very low136 Ų13697.9 Ų97.959%0.59155%0.549SS*.THydrogen-bonded Turntrans-134.121179.2-61.8-173.9177.8174.40112.4A660 R676A660-K662 PolarHBondContact O-N 3.45Å; K662-R676 PolarHBondContact O-NE 3.37Å; K662-R676 PolarHBondContact O-NH2 3.08Å
663A31.9Very low39.6Very low15 Ų15101.9 Ų101.912%0.12457%0.569CS.*  trans-77.6143.2177.300000112.5I615 A660I615-A663 VanDerWaalsContact CB-O 3.32Å; I615-A663 WeakPolarHBondContact CB-O 3.39Å; I615-A663 HydrophobicContact CD1-CB 4.17Å; I615-A663 VanDerWaalsContact CG1-O 3.3Å; I615-A663 WeakPolarHBondContact CG1-O 3.27Å; I615-A663 PolarHBondContact N-O 3.08Å; A660-A663 PolarHBondContact O-N 3.32Å; A660-A663 VanDerWaalsContact O-N 3.09Å
664K29Very low36.9Very low124 Ų12497.5 Ų97.554%0.53956%0.56SS.*EExtended strand (participates in β ladder)trans-83132.3168.6-77.4-178.2174.5-177.50108G613 A666G613-K664 WeakPolarHBondContact O-CA 3.29Å; K664-A666 PolarHBondContact O-N 3.17Å
665M31.5Very low34.4Very low46 Ų46100.7 Ų100.723%0.22756%0.563CS.*EExtended strand (participates in β ladder)trans-76.9107.2166.9-85.5-125.6-104.100109.3A609 G613 I615 I635 L644A609-M665 HydrophobicContact CB-CB 4.12Å; A609-M665 HydrophobicContact CB-CE 3.61Å; A609-M665 HydrophobicContact CB-SD 3.86Å; G613-M665 PolarHBondContact O-N 3.47Å; I615-M665 HydrophobicContact CD1-CG 3.7Å; I615-M665 HydrophobicContact CG1-CG 3.77Å; I635-M665 HydrophobicContact CG2-CE 3.75Å; L644-M665 HydrophobicContact CD1-CE 3.12Å
666A28.6Very low32Very low88 Ų88106 Ų10673%0.72758%0.579SS**  trans-96.7130.2155.400000107.1K664 G668K664-A666 PolarHBondContact O-N 3.17Å; A666-G668 PolarHBondContact O-N 2.8Å; A666-G668 VanDerWaalsContact O-N 3.17Å
667T26.3Very low29.8Very low112 Ų112102.4 Ų102.469%0.68757%0.567SS**SBendtrans-53.9115.5174.744.80000110.7
668G23.2Very low28.1Very low55 Ų55102.3 Ų102.357%0.56757%0.565SS**SBendtrans88.1109161.400000116.8A666A666-G668 PolarHBondContact O-N 2.8Å; A666-G668 VanDerWaalsContact O-N 3.17Å
669F21.3Very low27.2Very low188 Ų188107.6 Ų107.683%0.82558%0.584SS**  trans64.4144.6144.5-77.7-88.2000122.3
670R21.5Very low27.1Very low213 Ų213104.4 Ų104.480%0.80454%0.544SS*.  trans83.3108.9163.6-76.9178.9170.3168.6-3.8118.6
671F20.9Very low27.2Very low208 Ų208106.3 Ų106.391%0.91255%0.549SS*.  trans20.8114.6157-73.5-90.9000118.5I673F671-I673 PolarHBondContact O-N 2.91Å
672L23.2Very low27.4Very low115 Ų115103.2 Ų103.260%0.60254%0.538SS*.  trans-79109.3178.6-71.7101.5000112.4G658G658-L672 VanDerWaalsContact N-CD1 3.31Å
673I22.7Very low27.8Very low105 Ų10598.2 Ų98.254%0.53852%0.522SS..  trans-97.1137.7139.3-61.6174.8000106.3F671 K675F671-I673 PolarHBondContact O-N 2.91Å; I673-K675 PolarHBondContact O-N 3.19Å
674P24.7Very low28Very low105 Ų10598.3 Ų98.368%0.68252%0.52SS*.  trans-67.597.8-163.3-13.928.4000112.3R676P674-R676 PolarHBondContact O-N 2.93Å
675K28Very low28.4Very low123 Ų12395.7 Ų95.754%0.53552%0.517SS..G310 helixtrans-66.67.9173.6-79.6-171175.9177.90114.7I673 A677 V678 F680I673-K675 PolarHBondContact O-N 3.19Å; K675-A677 PolarHBondContact O-N 3.14Å; K675-V678 PolarHBondContact O-N 3.45Å; K675-F680 HydrophobicContact CD-CB 4.46Å; K675-F680 HydrophobicContact CD-CD2 4.49Å; K675-F680 HydrophobicContact CG-CD2 4.36Å
676R29.4Very low29Very low160 Ų160101.5 Ų101.560%0.60454%0.537SS*.G310 helixtrans-69.2-11.5178.7-96-178.2172.2-141.8-11.9114.5K662 P674K662-R676 PolarHBondContact O-NE 3.37Å; K662-R676 PolarHBondContact O-NH2 3.08Å; P674-R676 PolarHBondContact O-N 2.93Å
677A27.4Very low29.8Very low54 Ų5498 Ų9845%0.44651%0.507SS..G310 helixtrans-103.9-7.217600000114.1K675 R939K675-A677 PolarHBondContact O-N 3.14Å; A677-R939 VanDerWaalsContact O-CZ 3.22Å; A677-R939 PolarHBondContact O-NH1 2.97Å; A677-R939 PolarHBondContact O-NH2 2.93Å
678V27.1Very low31Very low23 Ų2396.6 Ų96.614%0.13949%0.492CS..  trans-145.2112.6-161.3-155.90000113.8K675 F680 L988 F1106K675-V678 PolarHBondContact O-N 3.45Å; V678-F680 HydrophobicContact CB-CD2 3.71Å; V678-F680 HydrophobicContact CB-CE2 3.49Å; V678-F680 VanDerWaalsContact CB-CE2 3.49Å; V678-F680 HydrophobicContact CB-CZ 4.22Å; V678-F680 HydrophobicContact CG1-CD2 3.79Å; V678-F680 HydrophobicContact CG1-CE1 4.18Å; V678-F680 HydrophobicContact CG1-CE2 3.39Å; V678-F680 HydrophobicContact CG1-CG 4.36Å; V678-F680 HydrophobicContact CG1-CZ 3.6Å; V678-F680 HydrophobicContact CG2-CE2 4.14Å; V678-F680 PolarHBondContact O-N 3.47Å; V678-L988 HydrophobicContact CB-CD1 3.74Å; V678-L988 HydrophobicContact CG1-CD1 3.08Å; V678-L988 HydrophobicContact CG2-CD1 3.28Å; V678-L988 HydrophobicContact CG2-CG 4.44Å; V678-F1106 HydrophobicContact CG1-CE1 3.47Å; V678-F1106 VanDerWaalsContact CG1-CE1 3.47Å; V678-F1106 HydrophobicContact CG1-CZ 3.8Å
679H27.1Very low32.3Very low131 Ų131101.9 Ų101.961%0.60650%0.496SS*.  trans-59.7113.5171.7-99.4-64000110.5
680F31Very low33.8Very low25 Ų2594.2 Ų94.211%0.1147%0.466CS..  trans-135.222.8-174.2-90.8-43.2000112.8K675 V678 L684 L988 P1105 F1106 L1154K675-F680 HydrophobicContact CD-CB 4.46Å; K675-F680 HydrophobicContact CD-CD2 4.49Å; K675-F680 HydrophobicContact CG-CD2 4.36Å; V678-F680 HydrophobicContact CB-CD2 3.71Å; V678-F680 HydrophobicContact CB-CE2 3.49Å; V678-F680 VanDerWaalsContact CB-CE2 3.49Å; V678-F680 HydrophobicContact CB-CZ 4.22Å; V678-F680 HydrophobicContact CG1-CD2 3.79Å; V678-F680 HydrophobicContact CG1-CE1 4.18Å; V678-F680 HydrophobicContact CG1-CE2 3.39Å; V678-F680 HydrophobicContact CG1-CG 4.36Å; V678-F680 HydrophobicContact CG1-CZ 3.6Å; V678-F680 HydrophobicContact CG2-CE2 4.14Å; V678-F680 PolarHBondContact O-N 3.47Å; F680-L684 HydrophobicContact CB-CD1 3.34Å; F680-L684 HydrophobicContact CD1-CD1 3.19Å; F680-L684 HydrophobicContact CD1-CG 4.47Å; F680-L684 HydrophobicContact CD2-CD1 4.17Å; F680-L684 HydrophobicContact CE1-CD1 4.02Å; F680-L684 HydrophobicContact CG-CD1 3.3Å; F680-L684 WeakPolarHBondContact O-CB 3.44Å; F680-L988 HydrophobicContact CZ-CD1 4.33Å; F680-P1105 HydrophobicContact CE1-CB 4.12Å; F680-F1106 HydrophobicContact CD1-CE1 4.38Å; F680-F1106 HydrophobicContact CE1-CD1 4.45Å; F680-F1106 AromaticContact CE1-CE1 3.58Å; F680-F1106 HydrophobicContact CE1-CE1 3.58Å; F680-F1106 HydrophobicContact CE1-CE2 4.3Å; F680-F1106 AromaticContact CE1-CZ 3.47Å; F680-F1106 HydrophobicContact CE1-CZ 3.47Å; F680-F1106 VanDerWaalsContact CE1-CZ 3.47Å; F680-F1106 HydrophobicContact CE2-CZ 4.47Å; F680-F1106 AromaticContact CZ-CE1 3.81Å; F680-F1106 HydrophobicContact CZ-CE1 3.81Å; F680-F1106 HydrophobicContact CZ-CE2 4.31Å; F680-F1106 AromaticContact CZ-CZ 3.37Å; F680-F1106 HydrophobicContact CZ-CZ 3.37Å; F680-L1154 HydrophobicContact CE1-CD1 3.95Å; F680-L1154 HydrophobicContact CZ-CD1 3.66Å
681T33.4Very low35.4Very low103 Ų10384 Ų8463%0.63243%0.427SS*.  trans-89.7-12.1-172.136.80000114.8
682G38.1Very low37.1Very low38 Ų3882.2 Ų82.239%0.39241%0.414SS..SBendtrans-77.4-56.5-178.600000114.7Y686G682-Y686 WeakPolarHBondContact O-CD2 3.49Å
683A36.9Very low38.6Very low32 Ų3287.2 Ų87.226%0.26443%0.425SS..SBendtrans-93.8-43.6-173.800000113C685 Y686 D687A683-C685 PolarHBondContact O-N 2.97Å; A683-Y686 PolarHBondContact O-N 3.32Å; A683-D687 WeakPolarHBondContact O-CB 2.79Å; A683-D687 PolarHBondContact O-N 3.18Å; A683-D687 VanDerWaalsContact O-N 3.11Å
684L36.1Very low40.3Very low16 Ų1686.8 Ų86.88%0.08442%0.42CS..Hα-helixtrans-66-40.3-169-74.6155000114.3F680 D1151 R1155F680-L684 HydrophobicContact CB-CD1 3.34Å; F680-L684 HydrophobicContact CD1-CD1 3.19Å; F680-L684 HydrophobicContact CD1-CG 4.47Å; F680-L684 HydrophobicContact CD2-CD1 4.17Å; F680-L684 HydrophobicContact CE1-CD1 4.02Å; F680-L684 HydrophobicContact CG-CD1 3.3Å; F680-L684 WeakPolarHBondContact O-CB 3.44Å; L684-D1151 HydrophobicContact CD2-CB 3.92Å; L684-D1151 WeakPolarHBondContact CD2-OD2 3.46Å; L684-R1155 VanDerWaalsContact CD2-CZ 3.48Å; L684-R1155 VanDerWaalsContact CD2-NE 3.26Å
685C38.2Very low42.1Very low69 Ų6983.4 Ų83.447%0.46639%0.394SS..Hα-helixtrans-85.5-31-178.8-66.90000112.7A683 D687A683-C685 PolarHBondContact O-N 2.97Å; C685-D687 VanDerWaalsContact C-N 3.32Å
686Y43.3Very low43.6Very low168 Ų16883.8 Ų83.866%0.65940%0.401SS*.Hα-helixtrans-68.4-34.5176-94.1-85000111.6G682 A683 E688 Y689 S690G682-Y686 WeakPolarHBondContact O-CD2 3.49Å; A683-Y686 PolarHBondContact O-N 3.32Å; Y686-E688 VanDerWaalsContact C-N 3.33Å; Y686-E688 PolarHBondContact O-N 3.06Å; Y686-Y689 PolarHBondContact O-N 3.05Å; Y686-S690 WeakPolarHBondContact O-CB 3.41Å; Y686-S690 PolarHBondContact O-N 2.94Å; Y686-S690 PolarHBondContact O-OG 3.26Å
687D47.1Very low45Very low16 Ų1684.9 Ų84.99%0.08642%0.417CS..Hα-helixtrans-67.9-29.8-178.3-84.620.7000113.9A683 C685 Y689 K1134 R1146 H1149A683-D687 WeakPolarHBondContact O-CB 2.79Å; A683-D687 PolarHBondContact O-N 3.18Å; A683-D687 VanDerWaalsContact O-N 3.11Å; C685-D687 VanDerWaalsContact C-N 3.32Å; D687-Y689 VanDerWaalsContact C-N 3.32Å; D687-Y689 PolarHBondContact O-N 3.25Å; D687-K1134 IonicContact OD1-NZ 3.88Å; D687-K1134 PolarHBondContact OD1-NZ 3.17Å; D687-K1134 WeakPolarHBondContact OD2-CE 3.45Å; D687-K1134 IonicContact OD2-NZ 2.84Å; D687-K1134 PolarHBondContact OD2-NZ 3.15Å; D687-R1146 VanDerWaalsContact O-CD 3.31Å; D687-R1146 WeakPolarHBondContact O-CD 3.48Å; D687-R1146 PolarHBondContact O-NH1 2.9Å; D687-H1149 IonicContact OD2-CE1 3.87Å; D687-H1149 PolarHBondContact OD2-CE1 2.65Å; D687-H1149 IonicContact OD2-ND1 2.84Å
688E50.5Low46.5Very low82 Ų8286.1 Ų86.138%0.38344%0.435SS..Hα-helixtrans-66.6-35174.2-77.2-162.2166.700112.6Y686 R692 R1146Y686-E688 VanDerWaalsContact C-N 3.33Å; Y686-E688 PolarHBondContact O-N 3.06Å; E688-R692 WeakPolarHBondContact O-CG 3.44Å; E688-R1146 PolarHBondContact O-NH1 3.1Å
689Y50.9Low48.4Very low166 Ų16687.9 Ų87.965%0.65144%0.442SS*.Hα-helixtrans-91.5-33.2-175.8-83.8-84.5000114.3Y686 D687Y686-Y689 PolarHBondContact O-N 3.05Å; D687-Y689 VanDerWaalsContact C-N 3.32Å; D687-Y689 PolarHBondContact O-N 3.25Å
690S51.8Low50.5Low26 Ų2684.2 Ų84.218%0.18243%0.425CS..Hα-helixtrans-62.9-47.7-173.358.70000111.8Y686 F694Y686-S690 WeakPolarHBondContact O-CB 3.41Å; Y686-S690 PolarHBondContact O-N 2.94Å; Y686-S690 PolarHBondContact O-OG 3.26Å; S690-F694 VanDerWaalsContact O-CD2 3.22Å; S690-F694 WeakPolarHBondContact O-CD2 3.17Å; S690-F694 WeakPolarHBondContact O-CE2 3.31Å
691N56.5Low52.2Low0 Ų084.1 Ų84.10%043%0.427CS..G310 helixtrans-70.5-32.4-178.5-92.218.8000114.2R693 F694 Y695 A1139 Y1140 D1144N691-R693 PolarHBondContact O-N 3.34Å; N691-F694 PolarHBondContact O-N 2.72Å; N691-Y695 HydrophobicContact CB-CD2 4.25Å; N691-Y695 HydrophobicContact CB-CE2 3.65Å; N691-Y695 PolarHBondContact ND2-OH 3.1Å; N691-Y695 VanDerWaalsContact O-CD2 3.3Å; N691-Y695 WeakPolarHBondContact O-CD2 3.12Å; N691-Y695 PolarHBondContact O-N 3.4Å; N691-A1139 VanDerWaalsContact OD1-CA 3.29Å; N691-A1139 WeakPolarHBondContact OD1-CA 3.39Å; N691-A1139 WeakPolarHBondContact OD1-CB 3.5Å; N691-Y1140 PolarHBondContact OD1-N 3.39Å; N691-Y1140 PolarHBondContact OD1-O 3.17Å; N691-D1144 PolarHBondContact ND2-OD1 3.01Å
692R56.6Low53.9Low169 Ų16980.7 Ų80.764%0.63840%0.403SS*.G310 helixtrans-60.6-17.8-179.5-74-175.5-175.5-176.45.4113.4E688E688-R692 WeakPolarHBondContact O-CG 3.44Å
693R53.9Low55.5Low220 Ų22084 Ų8483%0.8341%0.408SS*.G310 helixtrans-80.7-18.8175.1-66.8-176.8175.9179.60.3113.8N691N691-R693 PolarHBondContact O-N 3.34Å
694F58.1Low57.4Low96 Ų9683.7 Ų83.742%0.42140%0.4SS..THydrogen-bonded Turntrans-101.2-7.8-176.5-63.9-79.6000113S690 N691 A1139 V1141S690-F694 VanDerWaalsContact O-CD2 3.22Å; S690-F694 WeakPolarHBondContact O-CD2 3.17Å; S690-F694 WeakPolarHBondContact O-CE2 3.31Å; N691-F694 PolarHBondContact O-N 2.72Å; F694-A1139 HydrophobicContact CD2-CB 3.76Å; F694-A1139 HydrophobicContact CE2-CB 3.46Å; F694-A1139 VanDerWaalsContact CE2-CB 3.46Å; F694-A1139 HydrophobicContact CZ-CB 4.38Å; F694-V1141 HydrophobicContact CD1-CG2 4.14Å; F694-V1141 HydrophobicContact CE1-CG2 4.38Å; F694-V1141 HydrophobicContact CG-CG2 4.35Å
695Y62.9Low59.1Low35 Ų3583.1 Ų83.114%0.13740%0.397CS..SBendtrans-113.5119.4179.5-54.1-44000110.4N691 R704 Y1140 D1144N691-Y695 HydrophobicContact CB-CD2 4.25Å; N691-Y695 HydrophobicContact CB-CE2 3.65Å; N691-Y695 PolarHBondContact ND2-OH 3.1Å; N691-Y695 VanDerWaalsContact O-CD2 3.3Å; N691-Y695 WeakPolarHBondContact O-CD2 3.12Å; N691-Y695 PolarHBondContact O-N 3.4Å; Y695-R704 VanDerWaalsContact CD1-NE 3.27Å; Y695-R704 VanDerWaalsContact CD1-NH1 3.31Å; Y695-R704 VanDerWaalsContact CE1-CZ 3.49Å; Y695-Y1140 PolarHBondContact OH-O 2.62Å; Y695-D1144 HydrophobicContact CE2-CB 4Å; Y695-D1144 WeakPolarHBondContact OH-CA 3.19Å; Y695-D1144 VanDerWaalsContact OH-CB 3.3Å; Y695-D1144 WeakPolarHBondContact OH-CB 3.47Å
696D59.9Low60.9Low130 Ų13085.2 Ų85.270%0.69540%0.395SS*.  trans-72.4139.8169.9-78-29.5000109.8G698 E699D696-G698 PolarHBondContact O-N 2.62Å; D696-G698 VanDerWaalsContact O-N 3.1Å; D696-E699 HydrophobicContact CB-CB 4.12Å; D696-E699 WeakPolarHBondContact O-CB 3.33Å; D696-E699 PolarHBondContact O-N 3.27Å
697I57.2Low62.6Low184 Ų18480.7 Ų80.794%0.94439%0.388SS*.THydrogen-bonded Turntrans-63116.6179.8-60.4172.3000108.6
698G59.9Low64Low80 Ų8080.9 Ų80.983%0.82539%0.39SS*.THydrogen-bonded Turntrans88.82.3-178.700000114.8D696 H700D696-G698 PolarHBondContact O-N 2.62Å; D696-G698 VanDerWaalsContact O-N 3.1Å; G698-H700 PolarHBondContact O-N 3.11Å
699E68.1Low65.3Low59 Ų5977.2 Ų77.228%0.27637%0.373SS..  trans-61.5126171.5-171.9-167-158.800110.3D696 R704D696-E699 HydrophobicContact CB-CB 4.12Å; D696-E699 WeakPolarHBondContact O-CB 3.33Å; D696-E699 PolarHBondContact O-N 3.27Å; E699-R704 IonicContact OE2-CZ 3.57Å; E699-R704 IonicContact OE2-NE 3.49Å; E699-R704 PolarHBondContact OE2-NE 2.9Å; E699-R704 IonicContact OE2-NH2 2.97Å; E699-R704 PolarHBondContact OE2-NH2 2.95Å
700H70.4Confident66.7Low54 Ų5474.4 Ų74.425%0.2536%0.364CS..  trans-68.9124.7-179.8-167.6-75.3000110.7G698 Y702 Q703 R704 E867G698-H700 PolarHBondContact O-N 3.11Å; H700-Y702 VanDerWaalsContact C-N 3.29Å; H700-Y702 WeakPolarHBondContact ND1-CB 3.22Å; H700-Y702 PolarHBondContact ND1-N 2.88Å; H700-Y702 PolarHBondContact O-N 2.9Å; H700-Y702 VanDerWaalsContact O-N 3.17Å; H700-Q703 HydrophobicContact CB-CB 4.3Å; H700-Q703 HydrophobicContact CB-CG 4.09Å; H700-Q703 PolarHBondContact O-N 3.16Å; H700-R704 PolarHBondContact O-N 3Å; H700-E867 PolarHBondContact NE2-O 3.44Å
701P67.5Low68.1Low24 Ų2477.4 Ų77.416%0.15638%0.375CS..Hα-helixtrans-56.9-37.8-173.9-27.835.7000114.5R704 V705 Q812 F868P701-R704 WeakPolarHBondContact O-CB 3.28Å; P701-R704 PolarHBondContact O-N 3.48Å; P701-V705 WeakPolarHBondContact O-CG2 3.43Å; P701-V705 PolarHBondContact O-N 3.47Å; P701-Q812 VanDerWaalsContact CB-CD 3.47Å; P701-Q812 HydrophobicContact CB-CG 4.23Å; P701-F868 HydrophobicContact CB-CD1 4.37Å; P701-F868 HydrophobicContact CG-CD1 3.94Å; P701-F868 HydrophobicContact CG-CE1 3.8Å
702Y67.1Low69.3Low30 Ų3077.7 Ų77.712%0.11838%0.376CS..Hα-helixtrans-62.2-42.5174.2178.3-104.3000113.8H700 R704 V705 W706 L815 F868 F870H700-Y702 VanDerWaalsContact C-N 3.29Å; H700-Y702 WeakPolarHBondContact ND1-CB 3.22Å; H700-Y702 PolarHBondContact ND1-N 2.88Å; H700-Y702 PolarHBondContact O-N 2.9Å; H700-Y702 VanDerWaalsContact O-N 3.17Å; Y702-R704 PolarHBondContact O-N 3.43Å; Y702-V705 PolarHBondContact O-N 3.43Å; Y702-W706 VanDerWaalsContact O-CB 3.24Å; Y702-W706 WeakPolarHBondContact O-CB 3.38Å; Y702-W706 PolarHBondContact O-N 3.08Å; Y702-L815 HydrophobicContact CD2-CD1 3.79Å; Y702-L815 HydrophobicContact CE2-CB 4.47Å; Y702-L815 HydrophobicContact CE2-CD1 4.15Å; Y702-L815 HydrophobicContact CE2-CD2 4.13Å; Y702-F868 WeakPolarHBondContact CB-O 3.44Å; Y702-F870 HydrophobicContact CD1-CB 3.99Å; Y702-F870 HydrophobicContact CD1-CD2 4.2Å; Y702-F870 HydrophobicContact CD1-CG 4.42Å; Y702-F870 HydrophobicContact CE1-CB 3.78Å; Y702-F870 HydrophobicContact CE1-CG 4.34Å
703Q73.7Confident70.4Confident107 Ų10772.6 Ų72.650%0.536%0.358SS..Hα-helixtrans-63.9-35179.6-70.7-177.5-8.900111.1H700 S707H700-Q703 HydrophobicContact CB-CB 4.3Å; H700-Q703 HydrophobicContact CB-CG 4.09Å; H700-Q703 PolarHBondContact O-N 3.16Å; Q703-S707 WeakPolarHBondContact O-CB 3.33Å; Q703-S707 PolarHBondContact O-N 3.13Å
704R75.4Confident71.7Confident26 Ų2665.3 Ų65.310%0.09833%0.333CS..Hα-helixtrans-62.7-55.4172.8-172.5-167.5-53.2147.27111.6Y695 E699 H700 P701 Y702 W706 S707 V708 V1141 S1142Y695-R704 VanDerWaalsContact CD1-NE 3.27Å; Y695-R704 VanDerWaalsContact CD1-NH1 3.31Å; Y695-R704 VanDerWaalsContact CE1-CZ 3.49Å; E699-R704 IonicContact OE2-CZ 3.57Å; E699-R704 IonicContact OE2-NE 3.49Å; E699-R704 PolarHBondContact OE2-NE 2.9Å; E699-R704 IonicContact OE2-NH2 2.97Å; E699-R704 PolarHBondContact OE2-NH2 2.95Å; H700-R704 PolarHBondContact O-N 3Å; P701-R704 WeakPolarHBondContact O-CB 3.28Å; P701-R704 PolarHBondContact O-N 3.48Å; Y702-R704 PolarHBondContact O-N 3.43Å; R704-W706 VanDerWaalsContact C-N 3.26Å; R704-W706 PolarHBondContact O-N 2.98Å; R704-S707 PolarHBondContact O-N 2.87Å; R704-V708 WeakPolarHBondContact O-CG2 3.39Å; R704-V708 PolarHBondContact O-N 3.34Å; R704-V1141 WeakPolarHBondContact CD-O 3.46Å; R704-S1142 WeakPolarHBondContact CD-O 3.31Å
705V72.3Confident72.9Confident4 Ų463.2 Ų63.22%0.02432%0.322CS..Hα-helixtrans-55.5-45.1178.6172.20000110.6P701 Y702 V708 M709 Q812 F816 I1143P701-V705 WeakPolarHBondContact O-CG2 3.43Å; P701-V705 PolarHBondContact O-N 3.47Å; Y702-V705 PolarHBondContact O-N 3.43Å; V705-V708 PolarHBondContact O-N 2.66Å; V705-M709 WeakPolarHBondContact O-CB 3.35Å; V705-M709 WeakPolarHBondContact O-CG 3.35Å; V705-M709 PolarHBondContact O-N 3.16Å; V705-Q812 HydrophobicContact CG2-CB 4.24Å; V705-Q812 HydrophobicContact CG2-CG 4.33Å; V705-F816 HydrophobicContact CG1-CB 4.08Å; V705-F816 HydrophobicContact CG1-CD2 4.07Å; V705-I1143 HydrophobicContact CG2-CD1 4.41Å; V705-I1143 HydrophobicContact CG2-CG1 3.71Å
706W75.3Confident73.7Confident113 Ų11361.9 Ų61.943%0.42832%0.318SS..Hα-helixtrans-63.3-47.4177.2177.4-113.7000113.2Y702 R704 V708 M709 K710 E819Y702-W706 VanDerWaalsContact O-CB 3.24Å; Y702-W706 WeakPolarHBondContact O-CB 3.38Å; Y702-W706 PolarHBondContact O-N 3.08Å; R704-W706 VanDerWaalsContact C-N 3.26Å; R704-W706 PolarHBondContact O-N 2.98Å; W706-V708 VanDerWaalsContact C-N 3.3Å; W706-V708 PolarHBondContact O-N 3.38Å; W706-M709 PolarHBondContact O-N 3.47Å; W706-K710 VanDerWaalsContact O-CB 3.31Å; W706-K710 WeakPolarHBondContact O-CB 3.29Å; W706-K710 PolarHBondContact O-N 3.22Å; W706-E819 HydrophobicContact CE3-CG 4.02Å; W706-E819 HydrophobicContact CZ3-CG 3.89Å; W706-E819 WeakPolarHBondContact CZ3-OE2 3.29Å
707S79.1Confident74.7Confident73 Ų7361.8 Ų61.851%0.5131%0.308SS..Hα-helixtrans-58.2-44.4177.9178.80000111.3Q703 R704 H711Q703-S707 WeakPolarHBondContact O-CB 3.33Å; Q703-S707 PolarHBondContact O-N 3.13Å; R704-S707 PolarHBondContact O-N 2.87Å; S707-H711 WeakPolarHBondContact O-CB 3.48Å; S707-H711 PolarHBondContact O-N 2.86Å
708V77.7Confident75.9Confident20 Ų2058.8 Ų58.812%0.12128%0.284CS..Hα-helixtrans-63.7-50.2176.6173.60000110.8R704 V705 W706 K710 H711 D712R704-V708 WeakPolarHBondContact O-CG2 3.39Å; R704-V708 PolarHBondContact O-N 3.34Å; V705-V708 PolarHBondContact O-N 2.66Å; W706-V708 VanDerWaalsContact C-N 3.3Å; W706-V708 PolarHBondContact O-N 3.38Å; V708-K710 VanDerWaalsContact C-N 3.34Å; V708-K710 PolarHBondContact O-N 2.92Å; V708-H711 WeakPolarHBondContact O-CB 3.48Å; V708-H711 PolarHBondContact O-N 3.19Å; V708-H711 VanDerWaalsContact O-N 3.11Å; V708-D712 PolarHBondContact O-N 3.1Å
709M78.1Confident76.9Confident6 Ų658.2 Ų58.23%0.0326%0.257CS..Hα-helixtrans-59-43.7178.7-79.6-64.9-78.200112.5V705 W706 H711 D712 Y713 F816 E819 F820V705-M709 WeakPolarHBondContact O-CB 3.35Å; V705-M709 WeakPolarHBondContact O-CG 3.35Å; V705-M709 PolarHBondContact O-N 3.16Å; W706-M709 PolarHBondContact O-N 3.47Å; M709-H711 VanDerWaalsContact C-N 3.33Å; M709-H711 PolarHBondContact O-N 2.98Å; M709-D712 PolarHBondContact O-N 2.87Å; M709-Y713 WeakPolarHBondContact O-CB 3.04Å; M709-Y713 PolarHBondContact O-N 2.7Å; M709-F816 HydrophobicContact CE-CE1 4.48Å; M709-F816 HydrophobicContact CE-CZ 4.5Å; M709-F816 HydrophobicContact CG-CD2 3.82Å; M709-F816 HydrophobicContact CG-CE2 3.87Å; M709-F816 HydrophobicContact CG-CG 4.47Å; M709-F816 HydrophobicContact SD-CD1 4.27Å; M709-F816 HydrophobicContact SD-CD2 3.67Å; M709-F816 HydrophobicContact SD-CE1 3.92Å; M709-F816 HydrophobicContact SD-CE2 3.27Å; M709-F816 WeakPolarHBondContact SD-CE2 3.41Å; M709-F816 HydrophobicContact SD-CG 4.15Å; M709-F816 HydrophobicContact SD-CZ 3.4Å; M709-F816 WeakPolarHBondContact SD-CZ 3.24Å; M709-E819 HydrophobicContact CE-CB 3.78Å; M709-F820 HydrophobicContact CE-CB 3.79Å; M709-F820 HydrophobicContact CE-CD2 4.47Å; M709-F820 VanDerWaalsContact CE-N 3.31Å
710K78.8Confident77.3Confident107 Ų10757.1 Ų57.147%0.46525%0.252SS..Hα-helixtrans-60.3-43175-176.3179.2178.7-178.40111.6W706 V708 D712 Y713 E714W706-K710 VanDerWaalsContact O-CB 3.31Å; W706-K710 WeakPolarHBondContact O-CB 3.29Å; W706-K710 PolarHBondContact O-N 3.22Å; V708-K710 VanDerWaalsContact C-N 3.34Å; V708-K710 PolarHBondContact O-N 2.92Å; K710-D712 VanDerWaalsContact C-N 3.35Å; K710-D712 PolarHBondContact O-N 3.1Å; K710-Y713 WeakPolarHBondContact O-CB 2.99Å; K710-Y713 PolarHBondContact O-N 3.4Å; K710-E714 WeakPolarHBondContact CE-OE1 3.41Å; K710-E714 WeakPolarHBondContact O-CB 3.13Å; K710-E714 WeakPolarHBondContact O-CG 3.36Å; K710-E714 PolarHBondContact O-N 3.1Å
711H81.2Confident77.7Confident88 Ų8858 Ų5841%0.40726%0.258SS..Hα-helixtrans-63.7-40.1176.8177.976.6000112.2S707 V708 M709 E714 R715S707-H711 WeakPolarHBondContact O-CB 3.48Å; S707-H711 PolarHBondContact O-N 2.86Å; V708-H711 WeakPolarHBondContact O-CB 3.48Å; V708-H711 PolarHBondContact O-N 3.19Å; V708-H711 VanDerWaalsContact O-N 3.11Å; M709-H711 VanDerWaalsContact C-N 3.33Å; M709-H711 PolarHBondContact O-N 2.98Å; H711-E714 PolarHBondContact O-N 3.25Å; H711-R715 PolarHBondContact NE2-NH2 3.04Å; H711-R715 VanDerWaalsContact NE2-NH2 3.15Å; H711-R715 WeakPolarHBondContact O-CB 3.34Å; H711-R715 PolarHBondContact O-N 3.09Å
712D82.1Confident78.3Confident6 Ų664.9 Ų64.93%0.03228%0.281CS..Hα-helixtrans-70.6-38177.1-68.8-55000112.9V708 M709 K710 R715 T716 W768 R1129V708-D712 PolarHBondContact O-N 3.1Å; M709-D712 PolarHBondContact O-N 2.87Å; K710-D712 VanDerWaalsContact C-N 3.35Å; K710-D712 PolarHBondContact O-N 3.1Å; D712-R715 PolarHBondContact O-N 3.06Å; D712-R715 IonicContact OD1-NH1 2.74Å; D712-T716 VanDerWaalsContact O-CB 3.25Å; D712-T716 WeakPolarHBondContact O-CB 2.88Å; D712-T716 PolarHBondContact O-N 3.4Å; D712-T716 PolarHBondContact O-OG1 3.14Å; D712-W768 HydrophobicContact CB-CZ3 4.45Å; D712-R1129 VanDerWaalsContact CG-NH1 3.3Å; D712-R1129 IonicContact OD1-NH1 3.6Å; D712-R1129 IonicContact OD1-NH2 3.21Å; D712-R1129 IonicContact OD2-CZ 2.96Å; D712-R1129 IonicContact OD2-NH1 3.51Å; D712-R1129 PolarHBondContact OD2-NH1 3.37Å; D712-R1129 IonicContact OD2-NH2 2.67Å; D712-R1129 PolarHBondContact OD2-NH2 3.2Å
713Y79.2Confident78.6Confident63 Ų6365 Ų6525%0.24729%0.288CS..Hα-helixtrans-55.8-55.3169.5171.8-92.2000110.5M709 K710 R715 T716 R717 N823 E826M709-Y713 WeakPolarHBondContact O-CB 3.04Å; M709-Y713 PolarHBondContact O-N 2.7Å; K710-Y713 WeakPolarHBondContact O-CB 2.99Å; K710-Y713 PolarHBondContact O-N 3.4Å; Y713-R715 VanDerWaalsContact C-N 3.34Å; Y713-R715 PolarHBondContact O-N 3.15Å; Y713-T716 PolarHBondContact O-N 2.67Å; Y713-R717 WeakPolarHBondContact O-CB 3.3Å; Y713-R717 PolarHBondContact O-N 3.26Å; Y713-N823 HydrophobicContact CD2-CB 3.95Å; Y713-N823 HydrophobicContact CE2-CB 4.16Å; Y713-E826 HydrophobicContact CD2-CB 4.11Å; Y713-E826 HydrophobicContact CE2-CB 3.69Å; Y713-E826 HydrophobicContact CE2-CG 3.72Å
714E82.6Confident78.5Confident66 Ų6664.3 Ų64.331%0.30828%0.283SS..Hα-helixtrans-61.8-41.2-179.8-73.6-176.8-163.400112.3K710 H711 R718K710-E714 WeakPolarHBondContact CE-OE1 3.41Å; K710-E714 WeakPolarHBondContact O-CB 3.13Å; K710-E714 WeakPolarHBondContact O-CG 3.36Å; K710-E714 PolarHBondContact O-N 3.1Å; H711-E714 PolarHBondContact O-N 3.25Å; E714-R718 WeakPolarHBondContact O-CB 3.07Å; E714-R718 WeakPolarHBondContact O-CG 2.98Å; E714-R718 PolarHBondContact O-N 3.14Å; E714-R718 IonicContact OE2-CZ 3.76Å; E714-R718 IonicContact OE2-NH2 3.56Å; E714-R718 PolarHBondContact OE2-NH2 3.31Å
715R82.4Confident78.3Confident53 Ų5370.5 Ų70.520%0.231%0.307CS..Hα-helixtrans-62-45.7176.3176.6-172.8-77.1175.6-7.9110.9H711 D712 Y713 R718 R719H711-R715 PolarHBondContact NE2-NH2 3.04Å; H711-R715 VanDerWaalsContact NE2-NH2 3.15Å; H711-R715 WeakPolarHBondContact O-CB 3.34Å; H711-R715 PolarHBondContact O-N 3.09Å; D712-R715 PolarHBondContact O-N 3.06Å; D712-R715 IonicContact OD1-NH1 2.74Å; Y713-R715 VanDerWaalsContact C-N 3.34Å; Y713-R715 PolarHBondContact O-N 3.15Å; R715-R718 PolarHBondContact O-N 3.44Å; R715-R719 WeakPolarHBondContact O-CB 3.39Å; R715-R719 WeakPolarHBondContact O-CG 3.34Å; R715-R719 PolarHBondContact O-N 3.39Å
716T79.4Confident78.1Confident6 Ų673.4 Ų73.44%0.03732%0.323CS..Hα-helixtrans-63.5-47.5-179.4-580000110.4D712 Y713 R718 R719 F720 Q771 E826D712-T716 VanDerWaalsContact O-CB 3.25Å; D712-T716 WeakPolarHBondContact O-CB 2.88Å; D712-T716 PolarHBondContact O-N 3.4Å; D712-T716 PolarHBondContact O-OG1 3.14Å; Y713-T716 PolarHBondContact O-N 2.67Å; T716-R718 PolarHBondContact O-N 3.06Å; T716-R719 PolarHBondContact O-N 3.14Å; T716-F720 PolarHBondContact O-N 3.27Å; T716-Q771 PolarHBondContact OG1-NE2 3.09Å; T716-E826 VanDerWaalsContact CG2-O 3.27Å; T716-E826 WeakPolarHBondContact CG2-O 3.39Å
717R80.6Confident77.7Confident129 Ų12972.7 Ų72.749%0.48732%0.321SS..Hα-helixtrans-58.1-48.1175.8-171.6177.3176.1-149.2-0.7112.5Y713 R719 F720 I721Y713-R717 WeakPolarHBondContact O-CB 3.3Å; Y713-R717 PolarHBondContact O-N 3.26Å; R717-R719 VanDerWaalsContact C-N 3.32Å; R717-R719 PolarHBondContact O-N 3.31Å; R717-F720 PolarHBondContact O-N 2.79Å; R717-I721 HydrophobicContact CG-CD1 4.17Å; R717-I721 WeakPolarHBondContact O-CG1 3.32Å; R717-I721 PolarHBondContact O-N 3.38Å
718R82.2Confident76.8Confident120 Ų12075.5 Ų75.545%0.45332%0.321SS..Hα-helixtrans-59.3-42.1176.4-72.2174-152.6170.68.4112R486 E714 R715 T716 R722R486-R718 VanDerWaalsContact NH2-NH1 3.12Å; E714-R718 WeakPolarHBondContact O-CB 3.07Å; E714-R718 WeakPolarHBondContact O-CG 2.98Å; E714-R718 PolarHBondContact O-N 3.14Å; E714-R718 IonicContact OE2-CZ 3.76Å; E714-R718 IonicContact OE2-NH2 3.56Å; E714-R718 PolarHBondContact OE2-NH2 3.31Å; R715-R718 PolarHBondContact O-N 3.44Å; T716-R718 PolarHBondContact O-N 3.06Å; R718-R722 WeakPolarHBondContact O-CB 3.3Å; R718-R722 PolarHBondContact O-N 3.49Å
719R81Confident75.8Confident68 Ų6882.3 Ų82.326%0.25735%0.349SS..Hα-helixtrans-68.2-39.2178.2-76.4176.8170.6-172.8-1.6112.4R715 T716 R717 R722 A723 Q771 R772R715-R719 WeakPolarHBondContact O-CB 3.39Å; R715-R719 WeakPolarHBondContact O-CG 3.34Å; R715-R719 PolarHBondContact O-N 3.39Å; T716-R719 PolarHBondContact O-N 3.14Å; R717-R719 VanDerWaalsContact C-N 3.32Å; R717-R719 PolarHBondContact O-N 3.31Å; R719-R722 PolarHBondContact O-N 2.64Å; R719-A723 WeakPolarHBondContact O-CB 3.28Å; R719-A723 PolarHBondContact O-N 3.27Å; R719-Q771 PolarHBondContact NH1-O 2.99Å; R719-R772 PolarHBondContact NH2-O 3.45Å
720F77.5Confident74.6Confident36 Ų3689.4 Ų89.416%0.15838%0.375CS..Hα-helixtrans-62.1-47.4174.5178.9-97.3000111.1T716 R717 R722 A723 K724 K829 L831T716-F720 PolarHBondContact O-N 3.27Å; R717-F720 PolarHBondContact O-N 2.79Å; F720-R722 VanDerWaalsContact C-N 3.32Å; F720-R722 PolarHBondContact O-N 2.97Å; F720-A723 PolarHBondContact O-N 3.49Å; F720-K724 WeakPolarHBondContact O-CB 3.44Å; F720-K724 PolarHBondContact O-N 3.25Å; F720-K829 HydrophobicContact CD1-CD 4.15Å; F720-K829 HydrophobicContact CD2-CB 4.19Å; F720-K829 HydrophobicContact CD2-CD 4.12Å; F720-K829 HydrophobicContact CD2-CG 4.16Å; F720-K829 HydrophobicContact CE1-CD 3.86Å; F720-K829 HydrophobicContact CE2-CB 4.21Å; F720-K829 HydrophobicContact CE2-CD 3.83Å; F720-K829 HydrophobicContact CE2-CG 3.73Å; F720-K829 HydrophobicContact CG-CD 4.27Å; F720-K829 HydrophobicContact CZ-CD 3.7Å; F720-K829 HydrophobicContact CZ-CG 3.99Å; F720-L831 HydrophobicContact CD2-CD2 4.48Å; F720-L831 HydrophobicContact CE2-CD2 3.74Å; F720-L831 HydrophobicContact CE2-CG 4.01Å; F720-L831 HydrophobicContact CZ-CD2 3.93Å
721I79.2Confident73.1Confident73 Ų7389.5 Ų89.537%0.37438%0.38SS..Hα-helixtrans-56.8-46.8175.1-69166.6000110.6R717 K724 Y725R717-I721 HydrophobicContact CG-CD1 4.17Å; R717-I721 WeakPolarHBondContact O-CG1 3.32Å; R717-I721 PolarHBondContact O-N 3.38Å; I721-K724 WeakPolarHBondContact O-CB 3.31Å; I721-K724 PolarHBondContact O-N 2.75Å; I721-Y725 HydrophobicContact CG2-CD2 3.68Å; I721-Y725 HydrophobicContact CG2-CE2 3.52Å; I721-Y725 WeakPolarHBondContact O-CD2 3.29Å; I721-Y725 PolarHBondContact O-N 3.02Å
722R78.5Confident71.3Confident169 Ų16989.2 Ų89.264%0.63840%0.401SS*.Hα-helixtrans-61.8-44.6176.9-175.3173.9179.3168.81112.5R718 R719 F720 K724 Y725 D726R718-R722 WeakPolarHBondContact O-CB 3.3Å; R718-R722 PolarHBondContact O-N 3.49Å; R719-R722 PolarHBondContact O-N 2.64Å; F720-R722 VanDerWaalsContact C-N 3.32Å; F720-R722 PolarHBondContact O-N 2.97Å; R722-K724 VanDerWaalsContact C-N 3.3Å; R722-K724 PolarHBondContact O-N 3.13Å; R722-Y725 WeakPolarHBondContact O-CB 3.44Å; R722-Y725 PolarHBondContact O-N 2.87Å; R722-D726 IonicContact NE-OD2 2.84Å; R722-D726 WeakPolarHBondContact O-CB 3.39Å; R722-D726 PolarHBondContact O-N 3.12Å
723A74.6Confident69.4Low32 Ų3296.8 Ų96.826%0.26443%0.434SS..Hα-helixtrans-61.7-39.1177.200000111.7R719 F720 D726 Y727 L831R719-A723 WeakPolarHBondContact O-CB 3.28Å; R719-A723 PolarHBondContact O-N 3.27Å; F720-A723 PolarHBondContact O-N 3.49Å; A723-D726 PolarHBondContact O-N 3.03Å; A723-Y727 WeakPolarHBondContact O-CB 3.25Å; A723-Y727 PolarHBondContact O-N 3.09Å; A723-L831 HydrophobicContact CB-CD1 3.94Å
724K71.6Confident67.2Low92 Ų92103 Ų10340%0.447%0.467SS..Hα-helixtrans-62-45.4172.5-176.4169.2179.4171.20111.5F720 I721 R722 Y727 Y728 L831F720-K724 WeakPolarHBondContact O-CB 3.44Å; F720-K724 PolarHBondContact O-N 3.25Å; I721-K724 WeakPolarHBondContact O-CB 3.31Å; I721-K724 PolarHBondContact O-N 2.75Å; R722-K724 VanDerWaalsContact C-N 3.3Å; R722-K724 PolarHBondContact O-N 3.13Å; K724-Y727 PolarHBondContact O-N 2.78Å; K724-Y728 HydrophobicContact CD-CE2 4.04Å; K724-Y728 VanDerWaalsContact CE-CE2 3.42Å; K724-Y728 WeakPolarHBondContact CE-OH 3.08Å; K724-Y728 HydrophobicContact CG-CD2 3.84Å; K724-Y728 HydrophobicContact CG-CE2 3.4Å; K724-Y728 WeakPolarHBondContact O-CD2 3.36Å; K724-Y728 PolarHBondContact O-N 2.89Å; K724-L831 HydrophobicContact CB-CD2 4.03Å; K724-L831 HydrophobicContact CG-CD2 4.5Å
725Y70.6Confident65.1Low156 Ų156103.7 Ų103.761%0.61248%0.476SS*.Hα-helixtrans-62.7-43.9174-84.4-70.6000113.1I721 R722 Y727 Y728 K729I721-Y725 HydrophobicContact CG2-CD2 3.68Å; I721-Y725 HydrophobicContact CG2-CE2 3.52Å; I721-Y725 WeakPolarHBondContact O-CD2 3.29Å; I721-Y725 PolarHBondContact O-N 3.02Å; R722-Y725 WeakPolarHBondContact O-CB 3.44Å; R722-Y725 PolarHBondContact O-N 2.87Å; Y725-Y727 VanDerWaalsContact C-N 3.35Å; Y725-Y728 PolarHBondContact O-N 2.76Å; Y725-K729 PolarHBondContact O-N 3.32Å
726D68.6Low62.8Low66 Ų66107.2 Ų107.235%0.35350%0.503SS..Hα-helixtrans-66.9-37.8178.8-74.1-22.6000111.2R722 A723 K729 R730R722-D726 IonicContact NE-OD2 2.84Å; R722-D726 WeakPolarHBondContact O-CB 3.39Å; R722-D726 PolarHBondContact O-N 3.12Å; A723-D726 PolarHBondContact O-N 3.03Å; D726-K729 PolarHBondContact O-N 3.3Å; D726-R730 VanDerWaalsContact O-CG 3.28Å; D726-R730 WeakPolarHBondContact O-CG 3.24Å; D726-R730 PolarHBondContact O-N 2.81Å
727Y66.2Low60.7Low98 Ų98111 Ų11138%0.38453%0.528SS..Hα-helixtrans-59.9-51.7171177.9-98.2000111.2A723 K724 Y725 K729 R730 I731 D832A723-Y727 WeakPolarHBondContact O-CB 3.25Å; A723-Y727 PolarHBondContact O-N 3.09Å; K724-Y727 PolarHBondContact O-N 2.78Å; Y725-Y727 VanDerWaalsContact C-N 3.35Å; Y727-K729 VanDerWaalsContact C-N 3.29Å; Y727-K729 PolarHBondContact O-N 3Å; Y727-R730 WeakPolarHBondContact O-CA 3.45Å; Y727-R730 WeakPolarHBondContact O-CB 3.33Å; Y727-R730 PolarHBondContact O-N 2.84Å; Y727-I731 HydrophobicContact CD1-CD1 4.22Å; Y727-I731 HydrophobicContact CE1-CD1 3.93Å; Y727-I731 HydrophobicContact CE1-CG1 4.46Å; Y727-I731 PolarHBondContact O-N 3.18Å; Y727-D832 PolarHBondContact OH-OD2 3.04Å
728Y60.2Low58.5Low131 Ų131110.9 Ų110.951%0.51454%0.541SS..Hα-helixtrans-61.7-32.9175.8-74-61.5000113.4K724 Y725 R730 I731K724-Y728 HydrophobicContact CD-CE2 4.04Å; K724-Y728 VanDerWaalsContact CE-CE2 3.42Å; K724-Y728 WeakPolarHBondContact CE-OH 3.08Å; K724-Y728 HydrophobicContact CG-CD2 3.84Å; K724-Y728 HydrophobicContact CG-CE2 3.4Å; K724-Y728 WeakPolarHBondContact O-CD2 3.36Å; K724-Y728 PolarHBondContact O-N 2.89Å; Y725-Y728 PolarHBondContact O-N 2.76Å; Y728-R730 VanDerWaalsContact C-N 3.3Å; Y728-I731 HydrophobicContact CD1-CD1 3.76Å; Y728-I731 HydrophobicContact CE1-CD1 4.29Å; Y728-I731 PolarHBondContact O-N 3.37Å
729K56.8Low56.1Low164 Ų164112.6 Ų112.671%0.71355%0.554SS**Hα-helixtrans-69.9-26.2172.8-82.5-174.7176.4-179.40113.3Y725 D726 Y727Y725-K729 PolarHBondContact O-N 3.32Å; D726-K729 PolarHBondContact O-N 3.3Å; Y727-K729 VanDerWaalsContact C-N 3.29Å; Y727-K729 PolarHBondContact O-N 3Å
730R54.2Low53.6Low154 Ų154116.9 Ų116.958%0.58158%0.575SS**Hα-helixtrans-83.2-23.4177.4-74.9174.5-178.2-161.61.5112.3D726 Y727 Y728 G732 K733 T735D726-R730 VanDerWaalsContact O-CG 3.28Å; D726-R730 WeakPolarHBondContact O-CG 3.24Å; D726-R730 PolarHBondContact O-N 2.81Å; Y727-R730 WeakPolarHBondContact O-CA 3.45Å; Y727-R730 WeakPolarHBondContact O-CB 3.33Å; Y727-R730 PolarHBondContact O-N 2.84Å; Y728-R730 VanDerWaalsContact C-N 3.3Å; R730-G732 PolarHBondContact O-N 2.81Å; R730-K733 PolarHBondContact O-N 2.91Å; R730-T735 HydrophobicContact CB-CG2 4.32Å; R730-T735 HydrophobicContact CG-CG2 4.41Å
731I45.8Very low51.5Low109 Ų109120.6 Ų120.656%0.55960%0.595SS**THydrogen-bonded Turntrans-55.3110.6170.1-67.5176.7000108.6Y727 Y728Y727-I731 HydrophobicContact CD1-CD1 4.22Å; Y727-I731 HydrophobicContact CE1-CD1 3.93Å; Y727-I731 HydrophobicContact CE1-CG1 4.46Å; Y727-I731 PolarHBondContact O-N 3.18Å; Y728-I731 HydrophobicContact CD1-CD1 3.76Å; Y728-I731 HydrophobicContact CE1-CD1 4.29Å; Y728-I731 PolarHBondContact O-N 3.37Å
732G45.3Very low49.3Very low83 Ų83127 Ų12786%0.85662%0.616SS**THydrogen-bonded Turntrans113-17.2-177.600000115.4R730R730-G732 PolarHBondContact O-N 2.81Å
733K40.5Very low47.2Very low164 Ų164124.4 Ų124.471%0.71362%0.615SS**SBendtrans-101.1131.4168.7-67.7-173.2178.9-175.80107.8R730 T735R730-K733 PolarHBondContact O-N 2.91Å; K733-T735 PolarHBondContact O-N 3.12Å
734M33.5Very low45.4Very low194 Ų194130.8 Ų130.896%0.95664%0.643SS**  trans-53.487175.3-76.7172.472.500110.5V736M734-V736 PolarHBondContact O-N 2.79Å
735T38.4Very low44.1Very low81 Ų81130.6 Ų130.650%0.49764%0.643SS.*  trans-77.2110.1157.532.30000105.3R730 K733 P737R730-T735 HydrophobicContact CB-CG2 4.32Å; R730-T735 HydrophobicContact CG-CG2 4.41Å; K733-T735 PolarHBondContact O-N 3.12Å; T735-P737 WeakPolarHBondContact O-CD 3.29Å
736V35.1Very low43.5Very low126 Ų126131.1 Ų131.176%0.76466%0.656SS**  trans-47.1114.7166.1-1730000105.7M734 V738M734-V736 PolarHBondContact O-N 2.79Å; V736-V738 PolarHBondContact O-N 2.89Å
737P33.9Very low43.4Very low87 Ų87130.9 Ų130.957%0.56565%0.654SS**  trans-60.5128.717337000104.9T735 Q739T735-P737 WeakPolarHBondContact O-CD 3.29Å; P737-Q739 HydrophobicContact CB-CG 4.11Å; P737-Q739 HydrophobicContact CG-CG 4.27Å; P737-Q739 PolarHBondContact O-N 3.35Å
738V34.2Very low43.7Very low125 Ų125127.2 Ų127.276%0.75864%0.642SS**  trans-65.783.3165-178.70000105V736 K740V736-V738 PolarHBondContact O-N 2.89Å; V738-K740 PolarHBondContact O-N 2.74Å
739Q31.6Very low44.6Very low156 Ų156126.3 Ų126.373%0.72965%0.65SS**  trans-70.1101.1-178.5-88.1-178.7-27.300105.6P737P737-Q739 HydrophobicContact CB-CG 4.11Å; P737-Q739 HydrophobicContact CG-CG 4.27Å; P737-Q739 PolarHBondContact O-N 3.35Å
740K29.3Very low46.1Very low159 Ų159124.4 Ų124.469%0.69164%0.644SS**  trans79.8106.5168-50171.7-179.9178.70114.1V738 Y742V738-K740 PolarHBondContact O-N 2.74Å; K740-Y742 PolarHBondContact O-N 3.07Å
741I34.7Very low47.8Very low113 Ų113117.5 Ų117.558%0.57962%0.619SS**THydrogen-bonded Turntrans-65.210.1162.2-67.2164.8000111.8V905I741-V905 HydrophobicContact CD1-CG1 4.14Å
742Y32.7Very low49.9Very low208 Ų208114.1 Ų114.182%0.81661%0.605SS**THydrogen-bonded Turntrans-110.517.6-178.3-62-69.7000113.3K740 I744K740-Y742 PolarHBondContact O-N 3.07Å; Y742-I744 PolarHBondContact O-N 3.33Å
743D33.3Very low52.3Low115 Ų115110.2 Ų110.262%0.61557%0.565SS**SBendtrans-56.3133.8147.1-81-12.9000105.4E745D743-E745 HydrophobicContact CB-CG 3.69Å; D743-E745 PolarHBondContact O-N 2.66Å
744I36.4Very low55Low166 Ų166102.4 Ų102.485%0.85153%0.531SS*.  trans-69.560.1169.5-63.5161000104.9Y742 L746Y742-I744 PolarHBondContact O-N 3.33Å; I744-L746 PolarHBondContact O-N 3.42Å
745E45.3Very low58Low87 Ų8793.1 Ų93.141%0.40749%0.485SS..  trans-53.6122.3-157.4-82.4-172.3178.100106D743 I747 H910D743-E745 HydrophobicContact CB-CG 3.69Å; D743-E745 PolarHBondContact O-N 2.66Å; E745-I747 PolarHBondContact O-N 2.95Å; E745-H910 IonicContact OE2-CE1 3.54Å; E745-H910 PolarHBondContact OE2-CE1 2.67Å; E745-H910 IonicContact OE2-ND1 3.74Å
746L57.6Low60.8Low167 Ų16789.6 Ų89.687%0.87446%0.463SS*.  trans-32.1109-180-78.599.2000109.4I744 P748I744-L746 PolarHBondContact O-N 3.42Å; L746-P748 WeakPolarHBondContact O-CD 3.34Å
747I67.2Low63.7Low61 Ų6184 Ų8431%0.31343%0.431SS..  trans-46.9117.6171.8-68.2176.9000105.7E745 V749 I912 I948 P950 I960E745-I747 PolarHBondContact O-N 2.95Å; I747-V749 PolarHBondContact O-N 2.98Å; I747-I912 HydrophobicContact CD1-CG2 4.49Å; I747-I912 HydrophobicContact CG2-CD1 4.4Å; I747-I948 HydrophobicContact CD1-CD1 4.37Å; I747-I948 HydrophobicContact CG2-CD1 3.93Å; I747-P950 HydrophobicContact CD1-CB 3.84Å; I747-P950 HydrophobicContact CD1-CG 3.43Å; I747-P950 VanDerWaalsContact CD1-CG 3.43Å; I747-I960 HydrophobicContact CG2-CD1 3.55Å; I747-I960 HydrophobicContact CG2-CG1 4.04Å
748P71.1Confident66.4Low21 Ų2179.9 Ų79.914%0.13641%0.405CS..  trans-64.1135.3-169.224.7-33.7000108.6L746 E750 I781 I912 I960L746-P748 WeakPolarHBondContact O-CD 3.34Å; P748-E750 PolarHBondContact O-N 3.42Å; P748-I781 HydrophobicContact CG-CG2 3.78Å; P748-I912 HydrophobicContact CG-CD1 4.48Å; P748-I960 WeakPolarHBondContact O-CG2 3.49Å
749V79Confident69.2Low113 Ų11374.4 Ų74.469%0.68537%0.373SS*.SBendtrans-66.2-25176.2-175.10000110.6I747 Y961I747-V749 PolarHBondContact O-N 2.98Å; V749-Y961 PolarHBondContact O-N 2.93Å
750E88.5Confident72.1Confident123 Ų12367 Ų6758%0.57534%0.339SS*.EExtended strand (participates in β ladder)trans-144.5149.1179.365.9-179.8-174.500113.2P748 Y961P748-E750 PolarHBondContact O-N 3.42Å; E750-Y961 CarbonylContact C-O 3.56Å; E750-Y961 VanDerWaalsContact CA-O 3.29Å; E750-Y961 WeakPolarHBondContact CA-O 3.45Å
751C89.6Confident75.3Confident10 Ų1060 Ų607%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-142.4162.7173.1660000110.9K779 I781 Y961 A962 T963C751-K779 HydrophobicContact CB-CB 4.25Å; C751-I781 HydrophobicContact CB-CD1 4.41Å; C751-I781 HydrophobicContact CB-CG1 4.29Å; C751-I781 HydrophobicContact CB-CG2 4Å; C751-Y961 PolarHBondContact N-O 3.2Å; C751-Y961 PolarHBondContact SG-O 2.86Å; C751-Y961 VanDerWaalsContact SG-O 3.41Å; C751-A962 WeakPolarHBondContact O-CA 3.49Å; C751-A962 WeakPolarHBondContact SG-CB 3.26Å; C751-T963 PolarHBondContact O-N 3.02Å
752S91.6Very high78.2Confident37 Ų3754.6 Ų54.626%0.25928%0.282SS..EExtended strand (participates in β ladder)trans-76.4-47172.7-640000110.9K779 T963 I964S752-K779 WeakPolarHBondContact CB-O 3.38Å; S752-K779 PolarHBondContact N-O 3.09Å; S752-T963 WeakPolarHBondContact O-CB 3.09Å; S752-T963 PolarHBondContact O-N 3.32Å; S752-I964 PolarHBondContact O-N 3.28Å
753V94.4Very high81.2Confident1 Ų144.7 Ų44.71%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-132.3125.2-177.1-1740000109.7I755 I769 M778 K779 L780 I781 I964 I966V753-I755 HydrophobicContact CG1-CG1 4.03Å; V753-I769 HydrophobicContact CG1-CD1 4.23Å; V753-M778 HydrophobicContact CG2-CE 3.7Å; V753-K779 PolarHBondContact N-O 3.05Å; V753-L780 HydrophobicContact CB-CD1 4.04Å; V753-L780 HydrophobicContact CB-CG 4.04Å; V753-L780 HydrophobicContact CG1-CD1 4.33Å; V753-L780 HydrophobicContact CG1-CG 4.48Å; V753-L780 WeakPolarHBondContact O-CA 3.36Å; V753-I781 PolarHBondContact O-N 3.31Å; V753-I964 WeakPolarHBondContact CA-O 3.5Å; V753-I964 HydrophobicContact CG1-CB 4.37Å; V753-I964 HydrophobicContact CG1-CG2 4.32Å; V753-I964 HydrophobicContact CG2-CB 4.25Å; V753-I966 HydrophobicContact CG1-CD1 3.67Å; V753-I966 HydrophobicContact CG1-CG1 4.02Å
754A96.8Very high84.3Confident0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-106.4117.3171.500000110.1I781 V946 A962 I964 F965 I966A754-I781 HydrophobicContact CB-CD1 4.04Å; A754-I781 HydrophobicContact CB-CG1 3.93Å; A754-V946 HydrophobicContact CB-CG1 4.24Å; A754-A962 HydrophobicContact CB-CB 3.66Å; A754-I964 PolarHBondContact N-O 3.37Å; A754-F965 HydrophobicContact CB-CD1 4.06Å; A754-F965 HydrophobicContact CB-CE1 4.37Å; A754-F965 CarbonylContact O-C 3.3Å; A754-F965 WeakPolarHBondContact O-CA 3.36Å; A754-I966 PolarHBondContact O-N 2.85Å
755I97.9Very high87.2Confident0 Ų031.3 Ų31.30%017%0.174CC..EExtended strand (participates in β ladder)trans-104.3129.2177.3-53.4-171.4000108.4V753 C765 A766 L780 I781 V782 I783 I966 C968V753-I755 HydrophobicContact CG1-CG1 4.03Å; I755-C765 HydrophobicContact CD1-CB 3.73Å; I755-A766 HydrophobicContact CD1-CB 3.92Å; I755-L780 HydrophobicContact CD1-CD1 4.35Å; I755-L780 HydrophobicContact CD1-CD2 3.89Å; I755-L780 HydrophobicContact CD1-CG 4.45Å; I755-L780 HydrophobicContact CG1-CD2 4.3Å; I755-I781 PolarHBondContact N-O 3.24Å; I755-V782 HydrophobicContact CB-CG2 4.2Å; I755-V782 CarbonylContact O-C 3.53Å; I755-V782 WeakPolarHBondContact O-CA 3.34Å; I755-I783 PolarHBondContact O-N 3.33Å; I755-I966 CarbonylContact C-O 3.54Å; I755-I966 WeakPolarHBondContact CA-O 3.38Å; I755-I966 HydrophobicContact CD1-CD1 4.14Å; I755-I966 HydrophobicContact CG1-CB 4.26Å; I755-I966 HydrophobicContact CG1-CD1 4.04Å; I755-I966 HydrophobicContact CG1-CG1 4.37Å; I755-I966 HydrophobicContact CG2-CB 4.47Å; I755-C968 HydrophobicContact CG2-CB 4.25Å
756I97.3Very high89.6Confident6 Ų627.1 Ų27.13%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-107.4117.6-176-55.8165.4000108.1I783 V916 F919 V946 I966 C968 A969 V976I756-I783 HydrophobicContact CG1-CD1 4.38Å; I756-V916 HydrophobicContact CB-CG2 4.48Å; I756-V916 HydrophobicContact CD1-CG2 4.26Å; I756-V916 HydrophobicContact CG1-CG2 4.09Å; I756-V916 HydrophobicContact CG2-CB 4.43Å; I756-V916 HydrophobicContact CG2-CG2 3.63Å; I756-F919 HydrophobicContact CD1-CE1 3.93Å; I756-F919 HydrophobicContact CD1-CE2 4.4Å; I756-F919 HydrophobicContact CD1-CZ 3.37Å; I756-V946 HydrophobicContact CD1-CG2 4.39Å; I756-I966 PolarHBondContact N-O 3.39Å; I756-C968 CarbonylContact O-C 3.58Å; I756-C968 WeakPolarHBondContact O-CA 3.25Å; I756-C968 WeakPolarHBondContact O-CB 3.28Å; I756-C968 PolarHBondContact O-N 2.97Å; I756-A969 HydrophobicContact CG2-CB 4.32Å; I756-A969 PolarHBondContact O-N 2.81Å; I756-A969 VanDerWaalsContact O-N 3.11Å; I756-V976 HydrophobicContact CB-CG1 4.49Å; I756-V976 HydrophobicContact CD1-CG1 3.85Å; I756-V976 HydrophobicContact CG2-CG1 3.98Å; I756-V976 HydrophobicContact CG2-CG2 4.14Å
757G94.6Very high91.5Very high10 Ų1019.2 Ų19.210%0.10311%0.113CC..  trans97.3122-169.400000111.3G762 I783G757-G762 WeakPolarHBondContact O-CA 3.36Å; G757-I783 WeakPolarHBondContact CA-O 3.42Å; G757-I783 PolarHBondContact N-O 3.09Å
758G91.9Very high92.8Very high0 Ų016.4 Ų16.40%010%0.098CC..  trans-107.218.318000000114S763 V782 E784 R901G758-S763 PolarHBondContact O-OG 3.46Å; G758-V782 VanDerWaalsContact CA-CG1 3.49Å; G758-E784 VanDerWaalsContact C-OE2 3.24Å; G758-E784 WeakPolarHBondContact CA-OE2 3.1Å; G758-E784 PolarHBondContact N-OE2 2.9Å; G758-R901 PolarHBondContact O-NH1 2.9Å
759G92.7Very high93.9Very high10 Ų1015.5 Ų15.510%0.1039%0.092CC..SBendtrans-67.9-172.3163.900000112.2A761 G762 S763G759-A761 VanDerWaalsContact C-N 3.3Å; G759-A761 PolarHBondContact O-N 3.19Å; G759-G762 PolarHBondContact O-N 2.87Å; G759-S763 WeakPolarHBondContact O-CB 3.23Å; G759-S763 PolarHBondContact O-N 3.32Å; G759-S763 PolarHBondContact O-OG 3.31Å
760L93.4Very high94.4Very high1 Ų110.3 Ų10.31%0.0056%0.06CC..Hα-helixtrans-59-39.5-171-171.465.4000113.1A764 T794 L896 I900 L1121 A1124L760-A764 WeakPolarHBondContact O-CB 2.96Å; L760-A764 PolarHBondContact O-N 3.26Å; L760-T794 HydrophobicContact CB-CG2 3.74Å; L760-T794 PolarHBondContact N-OG1 3.47Å; L760-L896 HydrophobicContact CD1-CD2 4.11Å; L760-L896 HydrophobicContact CD1-CG 4.12Å; L760-L896 HydrophobicContact CD2-CD2 4.1Å; L760-I900 HydrophobicContact CD1-CD1 3.44Å; L760-I900 VanDerWaalsContact CD1-CD1 3.44Å; L760-L1121 HydrophobicContact CD2-CD2 3.98Å; L760-A1124 HydrophobicContact CB-CB 4.24Å; L760-A1124 HydrophobicContact CD2-CB 4.02Å; L760-A1124 HydrophobicContact CG-CB 3.89Å
761A95.1Very high94.4Very high10 Ų104.7 Ų4.78%0.0833%0.034CC..Hα-helixtrans-60.4-49177.600000112.7G759 A764 C765 C968 V1113 F1116 A1124G759-A761 VanDerWaalsContact C-N 3.3Å; G759-A761 PolarHBondContact O-N 3.19Å; A761-A764 PolarHBondContact O-N 3.04Å; A761-C765 PolarHBondContact O-N 3.23Å; A761-C765 PolarHBondContact O-SG 2.87Å; A761-C968 HydrophobicContact CB-CB 4.21Å; A761-V1113 HydrophobicContact CB-CG1 4.02Å; A761-F1116 HydrophobicContact CB-CE2 4.16Å; A761-A1124 HydrophobicContact CB-CB 4.14Å
762G95.9Very high94.2Very high0 Ų08.3 Ų8.30%05%0.046CC..Hα-helixtrans-69.1-44.7179.400000112.8G757 G759 A764 C765 A766G757-G762 WeakPolarHBondContact O-CA 3.36Å; G759-G762 PolarHBondContact O-N 2.87Å; G762-A764 VanDerWaalsContact C-N 3.3Å; G762-A764 PolarHBondContact O-N 3.25Å; G762-C765 WeakPolarHBondContact O-CB 3.46Å; G762-C765 PolarHBondContact O-N 3.24Å; G762-A766 PolarHBondContact O-N 2.99Å
763S96.4Very high93.8Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-63-34.9175.6-70.20000112.6G758 G759 Y767 R901 N904 Y911G758-S763 PolarHBondContact O-OG 3.46Å; G759-S763 WeakPolarHBondContact O-CB 3.23Å; G759-S763 PolarHBondContact O-N 3.32Å; G759-S763 PolarHBondContact O-OG 3.31Å; S763-Y767 VanDerWaalsContact O-CB 3.32Å; S763-Y767 WeakPolarHBondContact O-CB 3.48Å; S763-Y767 PolarHBondContact O-N 2.87Å; S763-R901 WeakPolarHBondContact OG-CG 3.43Å; S763-N904 PolarHBondContact O-ND2 3.45Å; S763-Y911 WeakPolarHBondContact CB-OH 3.25Å; S763-Y911 PolarHBondContact OG-OH 2.7Å
764A97Very high92.8Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-67.3-44.3173.600000112.2L760 A761 G762 A766 Y767 W768 L1125L760-A764 WeakPolarHBondContact O-CB 2.96Å; L760-A764 PolarHBondContact O-N 3.26Å; A761-A764 PolarHBondContact O-N 3.04Å; G762-A764 VanDerWaalsContact C-N 3.3Å; G762-A764 PolarHBondContact O-N 3.25Å; A764-A766 VanDerWaalsContact C-N 3.34Å; A764-A766 PolarHBondContact O-N 2.95Å; A764-Y767 PolarHBondContact O-N 2.87Å; A764-W768 PolarHBondContact O-N 3.29Å; A764-L1125 HydrophobicContact CB-CD2 4.03Å
765C97.6Very high91.7Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-57.8-48.2174.5-68.70000111.1I755 A761 G762 Y767 W768 I769 G1128I755-C765 HydrophobicContact CD1-CB 3.73Å; A761-C765 PolarHBondContact O-N 3.23Å; A761-C765 PolarHBondContact O-SG 2.87Å; G762-C765 WeakPolarHBondContact O-CB 3.46Å; G762-C765 PolarHBondContact O-N 3.24Å; C765-Y767 VanDerWaalsContact C-N 3.34Å; C765-Y767 PolarHBondContact O-N 3.38Å; C765-W768 PolarHBondContact O-N 3.15Å; C765-I769 VanDerWaalsContact O-CG1 3.28Å; C765-I769 WeakPolarHBondContact O-CG1 3.37Å; C765-I769 PolarHBondContact O-N 2.85Å; C765-I769 VanDerWaalsContact O-N 3.08Å; C765-G1128 VanDerWaalsContact SG-CA 3.5Å
766A97Very high90.2Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-57.9-47.5177.200000111.6I755 G762 A764 I769 K770 L780 V782 V909I755-A766 HydrophobicContact CD1-CB 3.92Å; G762-A766 PolarHBondContact O-N 2.99Å; A764-A766 VanDerWaalsContact C-N 3.34Å; A764-A766 PolarHBondContact O-N 2.95Å; A766-I769 PolarHBondContact O-N 3.01Å; A766-K770 WeakPolarHBondContact O-CB 3.11Å; A766-K770 PolarHBondContact O-N 2.87Å; A766-L780 HydrophobicContact CB-CD2 3.68Å; A766-V782 HydrophobicContact CB-CG2 3.82Å; A766-V909 HydrophobicContact CB-CG1 3.97Å; A766-V909 HydrophobicContact CB-CG2 4.11Å
767Y96Very high88.8Confident0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-57.3-52.9179.2172.8-99.5000111.5S763 A764 C765 I769 K770 Q771 F820 H827 L828 K903 N904 L907S763-Y767 VanDerWaalsContact O-CB 3.32Å; S763-Y767 WeakPolarHBondContact O-CB 3.48Å; S763-Y767 PolarHBondContact O-N 2.87Å; A764-Y767 PolarHBondContact O-N 2.87Å; C765-Y767 VanDerWaalsContact C-N 3.34Å; C765-Y767 PolarHBondContact O-N 3.38Å; Y767-I769 PolarHBondContact O-N 2.84Å; Y767-K770 PolarHBondContact O-N 3.33Å; Y767-Q771 WeakPolarHBondContact O-CA 3.11Å; Y767-Q771 WeakPolarHBondContact O-CB 3.42Å; Y767-Q771 PolarHBondContact O-N 3.34Å; Y767-F820 AromaticContact CE1-CE2 3.89Å; Y767-F820 HydrophobicContact CE1-CE2 3.89Å; Y767-F820 HydrophobicContact CE1-CZ 4.24Å; Y767-H827 PolarHBondContact OH-O 3.26Å; Y767-L828 HydrophobicContact CD2-CD2 4.16Å; Y767-L828 HydrophobicContact CE2-CD2 3.76Å; Y767-K903 HydrophobicContact CD2-CG 3.98Å; Y767-K903 HydrophobicContact CE2-CG 3.77Å; Y767-N904 WeakPolarHBondContact CA-OD1 3.28Å; Y767-N904 VanDerWaalsContact CB-OD1 3.28Å; Y767-N904 WeakPolarHBondContact CB-OD1 3.3Å; Y767-N904 PolarHBondContact N-OD1 3.13Å; Y767-N904 VanDerWaalsContact N-OD1 3.17Å; Y767-L907 HydrophobicContact CD2-CD1 4.2Å
768W95.4Very high88.1Confident3 Ų330.6 Ų30.61%0.01115%0.153CC..Hα-helixtrans-66.5-40.2-176.5-72.4116.6000112.7D712 A764 C765 Q771 R772 F816 F820 L1125 R1129 M1132D712-W768 HydrophobicContact CB-CZ3 4.45Å; A764-W768 PolarHBondContact O-N 3.29Å; C765-W768 PolarHBondContact O-N 3.15Å; W768-Q771 PolarHBondContact O-N 2.94Å; W768-R772 PolarHBondContact O-N 2.77Å; W768-F816 HydrophobicContact CH2-CZ 4.03Å; W768-F816 AromaticContact CZ2-CE1 3.76Å; W768-F816 HydrophobicContact CZ2-CE1 3.76Å; W768-F816 AromaticContact CZ2-CZ 3.56Å; W768-F816 HydrophobicContact CZ2-CZ 3.56Å; W768-F820 HydrophobicContact CH2-CD2 4.19Å; W768-F820 HydrophobicContact CH2-CE2 4.14Å; W768-F820 AromaticContact CZ2-CD2 3.83Å; W768-F820 HydrophobicContact CZ2-CD2 3.83Å; W768-F820 AromaticContact CZ2-CE2 3.81Å; W768-F820 HydrophobicContact CZ2-CE2 3.81Å; W768-L1125 PolarHBondContact NE1-O 3.47Å; W768-R1129 HydrophobicContact CD2-CB 4.09Å; W768-R1129 HydrophobicContact CG-CB 4Å; W768-M1132 HydrophobicContact CB-CB 3.86Å; W768-M1132 HydrophobicContact CB-CG 4.22Å
769I93.6Very high87.7Confident1 Ų135.7 Ų35.71%0.00518%0.175CC..Hα-helixtrans-61.8-52.1177.8-67.1168000110.4V753 C765 A766 Y767 Q771 R772 I773 M778 L780 I966 M1132 I1135V753-I769 HydrophobicContact CG1-CD1 4.23Å; C765-I769 VanDerWaalsContact O-CG1 3.28Å; C765-I769 WeakPolarHBondContact O-CG1 3.37Å; C765-I769 PolarHBondContact O-N 2.85Å; C765-I769 VanDerWaalsContact O-N 3.08Å; A766-I769 PolarHBondContact O-N 3.01Å; Y767-I769 PolarHBondContact O-N 2.84Å; I769-Q771 VanDerWaalsContact C-N 3.3Å; I769-Q771 PolarHBondContact O-N 3.03Å; I769-R772 WeakPolarHBondContact O-CB 3.38Å; I769-R772 PolarHBondContact O-N 3.05Å; I769-I773 PolarHBondContact O-N 2.83Å; I769-M778 HydrophobicContact CG2-CE 3.65Å; I769-M778 HydrophobicContact CG2-SD 4.44Å; I769-L780 HydrophobicContact CB-CD1 3.82Å; I769-L780 HydrophobicContact CD1-CD1 4.05Å; I769-L780 HydrophobicContact CG2-CD1 3.59Å; I769-I966 HydrophobicContact CD1-CD1 3.79Å; I769-M1132 HydrophobicContact CB-CG 4.48Å; I769-M1132 HydrophobicContact CG1-CB 3.94Å; I769-M1132 HydrophobicContact CG1-CG 4Å; I769-I1135 HydrophobicContact CD1-CD1 4.29Å
770K90.1Very high87.7Confident4 Ų435.3 Ų35.32%0.01717%0.171CC..Hα-helixtrans-70.3-27.2178.8-89.9-64.1-153.8163.70113.1A766 Y767 R772 I773 R774 D775 L907 G908 V909A766-K770 WeakPolarHBondContact O-CB 3.11Å; A766-K770 PolarHBondContact O-N 2.87Å; Y767-K770 PolarHBondContact O-N 3.33Å; K770-R772 VanDerWaalsContact C-N 3.26Å; K770-R772 PolarHBondContact O-N 2.9Å; K770-I773 CarbonylContact C-O 3.56Å; K770-I773 WeakPolarHBondContact CA-O 3.42Å; K770-I773 WeakPolarHBondContact CD-O 3.38Å; K770-I773 CarbonylContact O-C 3.6Å; K770-I773 VanDerWaalsContact O-O 3.1Å; K770-R774 WeakPolarHBondContact O-CG 3.37Å; K770-D775 PolarHBondContact NZ-O 2.87Å; K770-L907 HydrophobicContact CB-CB 3.87Å; K770-L907 HydrophobicContact CB-CD1 4.1Å; K770-L907 VanDerWaalsContact CD-O 3.24Å; K770-L907 WeakPolarHBondContact CD-O 3.33Å; K770-L907 WeakPolarHBondContact CE-O 3.43Å; K770-L907 HydrophobicContact CG-CB 4.32Å; K770-L907 PolarHBondContact NZ-O 3.23Å; K770-G908 WeakPolarHBondContact CE-O 3.39Å; K770-V909 HydrophobicContact CB-CG2 4.25Å; K770-V909 HydrophobicContact CG-CG2 3.69Å
771Q87.8Confident87.7Confident6 Ų635.4 Ų35.43%0.02817%0.171CC..Hα-helixtrans-71.3-23170.7-168.866.7-12.200111.4T716 R719 Y767 W768 I769T716-Q771 PolarHBondContact OG1-NE2 3.09Å; R719-Q771 PolarHBondContact NH1-O 2.99Å; Y767-Q771 WeakPolarHBondContact O-CA 3.11Å; Y767-Q771 WeakPolarHBondContact O-CB 3.42Å; Y767-Q771 PolarHBondContact O-N 3.34Å; W768-Q771 PolarHBondContact O-N 2.94Å; I769-Q771 VanDerWaalsContact C-N 3.3Å; I769-Q771 PolarHBondContact O-N 3.03Å
772R85.6Confident87.7Confident85 Ų8534.9 Ų34.932%0.32117%0.167SC..Hα-helixtrans-80.7-54.1169.9-165.969.4161.11153.4110.8R719 W768 I769 K770 M1132 L1136 D1137R719-R772 PolarHBondContact NH2-O 3.45Å; W768-R772 PolarHBondContact O-N 2.77Å; I769-R772 WeakPolarHBondContact O-CB 3.38Å; I769-R772 PolarHBondContact O-N 3.05Å; K770-R772 VanDerWaalsContact C-N 3.26Å; K770-R772 PolarHBondContact O-N 2.9Å; R772-M1132 HydrophobicContact CB-CG 4.17Å; R772-M1132 HydrophobicContact CB-SD 3.71Å; R772-M1132 HydrophobicContact CG-SD 3.75Å; R772-L1136 HydrophobicContact CB-CD1 3.69Å; R772-L1136 HydrophobicContact CG-CD1 3.57Å; R772-D1137 IonicContact NH2-OD1 2.7Å; R772-D1137 PolarHBondContact NH2-OD1 3.03Å; R772-D1137 VanDerWaalsContact NH2-OD1 3.07Å; R772-D1137 IonicContact NH2-OD2 3.78Å
773I82.6Confident87.6Confident56 Ų5635 Ų3529%0.28717%0.167SC..  trans-114.5106.3-175.9-59.2176.6000109.2I769 K770 D775 M778 L1136I769-I773 PolarHBondContact O-N 2.83Å; K770-I773 CarbonylContact C-O 3.56Å; K770-I773 WeakPolarHBondContact CA-O 3.42Å; K770-I773 WeakPolarHBondContact CD-O 3.38Å; K770-I773 CarbonylContact O-C 3.6Å; K770-I773 VanDerWaalsContact O-O 3.1Å; I773-D775 VanDerWaalsContact C-N 3.28Å; I773-D775 HydrophobicContact CG2-CB 3.74Å; I773-M778 HydrophobicContact CB-SD 3.85Å; I773-M778 HydrophobicContact CD1-SD 3.77Å; I773-M778 HydrophobicContact CG1-SD 4.39Å; I773-M778 HydrophobicContact CG2-CB 4.2Å; I773-M778 HydrophobicContact CG2-SD 3.66Å; I773-L1136 HydrophobicContact CD1-CD1 3.73Å; I773-L1136 HydrophobicContact CD1-CD2 3.55Å; I773-L1136 HydrophobicContact CD1-CG 4.3Å; I773-L1136 HydrophobicContact CG1-CD1 4.01Å
774R74.2Confident87.5Confident88 Ų8835.9 Ų35.933%0.33217%0.171SC..  trans-94.823.1176.4-68.3-170.7178.2-171.60.2112.8K770 L907K770-R774 WeakPolarHBondContact O-CG 3.37Å; R774-L907 HydrophobicContact CG-CD2 4.39Å
775D73Confident87.2Confident84 Ų8439 Ų3945%0.44919%0.188SC..  trans-70.4133.9176.2-157.4-32.5000109.1K770 I773 D777 M778K770-D775 PolarHBondContact NZ-O 2.87Å; I773-D775 VanDerWaalsContact C-N 3.28Å; I773-D775 HydrophobicContact CG2-CB 3.74Å; D775-D777 VanDerWaalsContact C-N 3.28Å; D775-D777 WeakPolarHBondContact OD1-CB 3.09Å; D775-D777 PolarHBondContact OD1-N 3.44Å; D775-M778 HydrophobicContact CB-CB 4.3Å; D775-M778 PolarHBondContact O-N 3.5Å
776D66.1Low86.5Confident131 Ų13140.1 Ų40.170%0.70119%0.194SC*.SBendtrans-75.5-23.5176.3-69.3-25.7000110.7M778D776-M778 VanDerWaalsContact C-N 3.28Å; D776-M778 PolarHBondContact O-N 3.15Å
777D69.2Low85.4Confident137 Ų13741.6 Ų41.673%0.73321%0.205SC*.SBendtrans-70.3-27174.3-67.3-25000111.7D775 K779D775-D777 VanDerWaalsContact C-N 3.28Å; D775-D777 WeakPolarHBondContact OD1-CB 3.09Å; D775-D777 PolarHBondContact OD1-N 3.44Å; D777-K779 PolarHBondContact O-N 3.25Å
778M78.7Confident84.6Confident27 Ų2748.6 Ų48.613%0.13324%0.237CC..SBendtrans-8183.1174.1-169-178.5177.400110.9V753 I769 I773 D775 D776 L780V753-M778 HydrophobicContact CG2-CE 3.7Å; I769-M778 HydrophobicContact CG2-CE 3.65Å; I769-M778 HydrophobicContact CG2-SD 4.44Å; I773-M778 HydrophobicContact CB-SD 3.85Å; I773-M778 HydrophobicContact CD1-SD 3.77Å; I773-M778 HydrophobicContact CG1-SD 4.39Å; I773-M778 HydrophobicContact CG2-CB 4.2Å; I773-M778 HydrophobicContact CG2-SD 3.66Å; D775-M778 HydrophobicContact CB-CB 4.3Å; D775-M778 PolarHBondContact O-N 3.5Å; D776-M778 VanDerWaalsContact C-N 3.28Å; D776-M778 PolarHBondContact O-N 3.15Å; M778-L780 PolarHBondContact O-N 3.13Å
779K84Confident83.9Confident107 Ų10748.9 Ų48.947%0.46524%0.239SC..  trans-68123.4176.5-65.9179.5-176.31740111.6C751 S752 V753 D777C751-K779 HydrophobicContact CB-CB 4.25Å; S752-K779 WeakPolarHBondContact CB-O 3.38Å; S752-K779 PolarHBondContact N-O 3.09Å; V753-K779 PolarHBondContact N-O 3.05Å; D777-K779 PolarHBondContact O-N 3.25Å
780L92.2Very high83.3Confident2 Ų251.4 Ų51.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-123.5127176-170.2151.9000109.5V753 I755 A766 I769 M778 V782 V909 H910V753-L780 HydrophobicContact CB-CD1 4.04Å; V753-L780 HydrophobicContact CB-CG 4.04Å; V753-L780 HydrophobicContact CG1-CD1 4.33Å; V753-L780 HydrophobicContact CG1-CG 4.48Å; V753-L780 WeakPolarHBondContact O-CA 3.36Å; I755-L780 HydrophobicContact CD1-CD1 4.35Å; I755-L780 HydrophobicContact CD1-CD2 3.89Å; I755-L780 HydrophobicContact CD1-CG 4.45Å; I755-L780 HydrophobicContact CG1-CD2 4.3Å; A766-L780 HydrophobicContact CB-CD2 3.68Å; I769-L780 HydrophobicContact CB-CD1 3.82Å; I769-L780 HydrophobicContact CD1-CD1 4.05Å; I769-L780 HydrophobicContact CG2-CD1 3.59Å; M778-L780 PolarHBondContact O-N 3.13Å; L780-V782 HydrophobicContact CD2-CG2 4.08Å; L780-V909 HydrophobicContact CD2-CB 4.47Å; L780-V909 HydrophobicContact CD2-CG1 3.73Å; L780-V909 HydrophobicContact CD2-CG2 4.17Å; L780-H910 PolarHBondContact O-N 2.96Å; L780-H910 VanDerWaalsContact O-N 3.07Å
781I93.8Very high83Confident2 Ų254.6 Ų54.61%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-114.8145.9178.668.9174.6000110.7P748 C751 V753 A754 I755 I783 H910 I912 I960P748-I781 HydrophobicContact CG-CG2 3.78Å; C751-I781 HydrophobicContact CB-CD1 4.41Å; C751-I781 HydrophobicContact CB-CG1 4.29Å; C751-I781 HydrophobicContact CB-CG2 4Å; V753-I781 PolarHBondContact O-N 3.31Å; A754-I781 HydrophobicContact CB-CD1 4.04Å; A754-I781 HydrophobicContact CB-CG1 3.93Å; I755-I781 PolarHBondContact N-O 3.24Å; I781-I783 HydrophobicContact CD1-CD1 4.12Å; I781-I783 HydrophobicContact CD1-CG1 4.17Å; I781-H910 CarbonylContact C-O 3.57Å; I781-H910 VanDerWaalsContact CA-O 3.32Å; I781-H910 WeakPolarHBondContact CA-O 3.47Å; I781-H910 HydrophobicContact CG2-CB 4.28Å; I781-I912 HydrophobicContact CB-CD1 3.93Å; I781-I912 HydrophobicContact CD1-CD1 4Å; I781-I912 HydrophobicContact CG2-CD1 3.98Å; I781-I960 HydrophobicContact CD1-CD1 3.73Å; I781-I960 HydrophobicContact CD1-CG2 3.94Å
782V95.4Very high82.9Confident0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-119.5114.7170.5-1790000107.8I755 G758 A766 L780 V909 H910 Y911 I912I755-V782 HydrophobicContact CB-CG2 4.2Å; I755-V782 CarbonylContact O-C 3.53Å; I755-V782 WeakPolarHBondContact O-CA 3.34Å; G758-V782 VanDerWaalsContact CA-CG1 3.49Å; A766-V782 HydrophobicContact CB-CG2 3.82Å; L780-V782 HydrophobicContact CD2-CG2 4.08Å; V782-V909 HydrophobicContact CG2-CG1 3.6Å; V782-H910 PolarHBondContact N-O 2.76Å; V782-Y911 HydrophobicContact CB-CD1 3.71Å; V782-Y911 HydrophobicContact CB-CE1 3.73Å; V782-Y911 HydrophobicContact CB-CG 4.26Å; V782-Y911 HydrophobicContact CG1-CD1 3.73Å; V782-Y911 HydrophobicContact CG1-CE1 3.55Å; V782-Y911 HydrophobicContact CG2-CD1 4.46Å; V782-Y911 HydrophobicContact CG2-CE1 4.08Å; V782-Y911 CarbonylContact O-C 3.38Å; V782-Y911 WeakPolarHBondContact O-CA 2.95Å; V782-I912 PolarHBondContact O-N 3.16Å
783I94.7Very high83Confident2 Ų251.1 Ų51.11%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-91.5114.8-179.1-60.2158.6000107.9I755 I756 G757 I781 A914 V916 V946 I948I755-I783 PolarHBondContact O-N 3.33Å; I756-I783 HydrophobicContact CG1-CD1 4.38Å; G757-I783 WeakPolarHBondContact CA-O 3.42Å; G757-I783 PolarHBondContact N-O 3.09Å; I781-I783 HydrophobicContact CD1-CD1 4.12Å; I781-I783 HydrophobicContact CD1-CG1 4.17Å; I783-A914 HydrophobicContact CG2-CB 4.18Å; I783-A914 VanDerWaalsContact CG2-O 3.24Å; I783-A914 WeakPolarHBondContact CG2-O 3.43Å; I783-V916 HydrophobicContact CD1-CG2 4.32Å; I783-V916 HydrophobicContact CG2-CG2 3.84Å; I783-V946 HydrophobicContact CD1-CG1 3.79Å; I783-V946 HydrophobicContact CD1-CG2 4.22Å; I783-I948 HydrophobicContact CD1-CG2 3.7Å; I783-I948 HydrophobicContact CG1-CG2 4.25Å; I783-I948 HydrophobicContact CG2-CG2 4.11Å
784E92.6Very high83.3Confident18 Ų1848.9 Ų48.98%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-111.5118.7178.618054-9900110.1G758 D786 L789 I912 K913 A914G758-E784 VanDerWaalsContact C-OE2 3.24Å; G758-E784 WeakPolarHBondContact CA-OE2 3.1Å; G758-E784 PolarHBondContact N-OE2 2.9Å; E784-D786 VanDerWaalsContact CG-O 3.28Å; E784-D786 WeakPolarHBondContact CG-O 3.37Å; E784-D786 PolarHBondContact OE1-N 2.84Å; E784-L789 HydrophobicContact CG-CD2 4.23Å; E784-L789 WeakPolarHBondContact OE2-CD2 3.37Å; E784-I912 PolarHBondContact N-O 2.88Å; E784-K913 CarbonylContact O-C 3.53Å; E784-K913 WeakPolarHBondContact O-CA 3.36Å; E784-A914 CarbonylContact C-O 3.5Å; E784-A914 PolarHBondContact O-N 3.16Å
785N91.1Very high84Confident65 Ų6547.3 Ų47.335%0.34825%0.253SS..SBendtrans-83.4-31.1177.5-179.940000111.5A914 K915 Q951N785-A914 WeakPolarHBondContact CA-O 3.48Å; N785-A914 PolarHBondContact N-O 3.31Å; N785-K915 WeakPolarHBondContact OD1-CA 3.38Å; N785-K915 WeakPolarHBondContact OD1-CB 3.45Å; N785-K915 WeakPolarHBondContact OD1-CG 3.35Å; N785-Q951 VanDerWaalsContact O-CD 3.26Å; N785-Q951 PolarHBondContact O-NE2 2.84Å; N785-Q951 PolarHBondContact O-OE1 3.43Å; N785-Q951 PolarHBondContact OD1-NE2 3.47Å; N785-Q951 VanDerWaalsContact OD1-NE2 3.17Å
786D83.8Confident84.8Confident25 Ų2545.2 Ų45.213%0.13424%0.242CC..  trans-10491.4176.5-169.6-14.6000109.4E784 Q788 L789 A790 N791E784-D786 VanDerWaalsContact CG-O 3.28Å; E784-D786 WeakPolarHBondContact CG-O 3.37Å; E784-D786 PolarHBondContact OE1-N 2.84Å; D786-Q788 PolarHBondContact O-N 3.11Å; D786-Q788 PolarHBondContact OD1-N 2.71Å; D786-L789 VanDerWaalsContact CG-CA 3.43Å; D786-L789 VanDerWaalsContact CG-N 3.33Å; D786-L789 WeakPolarHBondContact O-CA 3.39Å; D786-L789 PolarHBondContact O-N 2.91Å; D786-L789 WeakPolarHBondContact OD1-CA 3.18Å; D786-L789 PolarHBondContact OD1-N 3.21Å; D786-L789 VanDerWaalsContact OD2-C 3.27Å; D786-A790 VanDerWaalsContact CG-N 3.26Å; D786-A790 PolarHBondContact OD1-N 3.35Å; D786-A790 PolarHBondContact OD2-N 2.96Å; D786-N791 PolarHBondContact OD2-N 2.85Å
787S74.1Confident85.8Confident31 Ų3139.1 Ų39.122%0.21721%0.209CC..THydrogen-bonded Turntrans-64.6-21.8-176.481.60000113.8Y952S787-Y952 VanDerWaalsContact OG-CE2 3.31Å; S787-Y952 WeakPolarHBondContact OG-CE2 3.35Å; S787-Y952 PolarHBondContact OG-OH 3.46Å
788Q78.4Confident86.5Confident147 Ų14733.3 Ų33.369%0.68718%0.179SC*.THydrogen-bonded Turntrans-95.4-8174-65.6-172.6-13.100112.1D786 A790D786-Q788 PolarHBondContact O-N 3.11Å; D786-Q788 PolarHBondContact OD1-N 2.71Å; Q788-A790 HydrophobicContact CB-CB 4.36Å; Q788-A790 PolarHBondContact O-N 2.77Å; Q788-A790 VanDerWaalsContact O-N 3.13Å
789L80.8Confident86.5Confident9 Ų932.2 Ų32.25%0.04718%0.175CC..  trans53.325.8-173.1-62.6168.5000112.5E784 D786 N791 S792 L795 W894 L897E784-L789 HydrophobicContact CG-CD2 4.23Å; E784-L789 WeakPolarHBondContact OE2-CD2 3.37Å; D786-L789 VanDerWaalsContact CG-CA 3.43Å; D786-L789 VanDerWaalsContact CG-N 3.33Å; D786-L789 WeakPolarHBondContact O-CA 3.39Å; D786-L789 PolarHBondContact O-N 2.91Å; D786-L789 WeakPolarHBondContact OD1-CA 3.18Å; D786-L789 PolarHBondContact OD1-N 3.21Å; D786-L789 VanDerWaalsContact OD2-C 3.27Å; L789-N791 VanDerWaalsContact C-N 3.27Å; L789-N791 PolarHBondContact O-N 3.01Å; L789-S792 WeakPolarHBondContact O-CB 3.31Å; L789-S792 PolarHBondContact O-N 3.18Å; L789-L795 HydrophobicContact CB-CD1 3.41Å; L789-L795 VanDerWaalsContact CB-CD1 3.41Å; L789-L795 HydrophobicContact CB-CG 4.17Å; L789-L795 HydrophobicContact CD1-CD1 4.21Å; L789-L795 HydrophobicContact CG-CD1 4.47Å; L789-W894 HydrophobicContact CD1-CZ3 4.17Å; L789-L897 HydrophobicContact CD1-CD2 3.71Å
790A82Confident86.6Confident53 Ų5327.3 Ų27.344%0.43816%0.155SC..THydrogen-bonded Turntrans-59.7-35.1-174.400000113D786 Q788 L796D786-A790 VanDerWaalsContact CG-N 3.26Å; D786-A790 PolarHBondContact OD1-N 3.35Å; D786-A790 PolarHBondContact OD2-N 2.96Å; Q788-A790 HydrophobicContact CB-CB 4.36Å; Q788-A790 PolarHBondContact O-N 2.77Å; Q788-A790 VanDerWaalsContact O-N 3.13Å; A790-L796 WeakPolarHBondContact O-CD1 3.03Å
791N83.8Confident86.4Confident71 Ų7127.2 Ų27.238%0.3815%0.154SC..THydrogen-bonded Turntrans-100.94177.2-62.5-53.4000112.6D786 L789 T793 W972 L1055D786-N791 PolarHBondContact OD2-N 2.85Å; L789-N791 VanDerWaalsContact C-N 3.27Å; L789-N791 PolarHBondContact O-N 3.01Å; N791-T793 PolarHBondContact O-N 2.78Å; N791-W972 HydrophobicContact CB-CH2 3.6Å; N791-W972 HydrophobicContact CB-CZ2 3.83Å; N791-W972 VanDerWaalsContact O-CH2 3.32Å; N791-W972 WeakPolarHBondContact O-CH2 3.2Å; N791-L1055 WeakPolarHBondContact OD1-CD1 3.09Å
792S85.2Confident85.9Confident11 Ų1128.2 Ų28.28%0.07716%0.158CC..  trans-68.1123.4-173.9-178.90000111.4L789 T794 L795 L796L789-S792 WeakPolarHBondContact O-CB 3.31Å; L789-S792 PolarHBondContact O-N 3.18Å; S792-T794 PolarHBondContact O-N 3.46Å; S792-T794 VanDerWaalsContact O-N 3.14Å; S792-T794 PolarHBondContact OG-N 3.15Å; S792-L795 PolarHBondContact O-N 3.09Å; S792-L796 PolarHBondContact O-N 3.44Å
793T87.5Confident85Confident8 Ų828.7 Ų28.75%0.04916%0.16CC..Hα-helixtrans-53.1-34.5170.7-46.20000111.6N791 L795 A797 Y1089N791-T793 PolarHBondContact O-N 2.78Å; T793-L795 VanDerWaalsContact C-N 3.29Å; T793-L795 PolarHBondContact O-N 3.41Å; T793-A797 HydrophobicContact CG2-CB 3.97Å; T793-A797 WeakPolarHBondContact O-CB 3.37Å; T793-A797 PolarHBondContact O-N 2.9Å; T793-Y1089 WeakPolarHBondContact CB-O 3.32Å; T793-Y1089 WeakPolarHBondContact CG2-O 3.37Å; T793-Y1089 PolarHBondContact OG1-O 3.17Å
794T88.4Confident84.1Confident9 Ų929.6 Ų29.66%0.05516%0.164CC..Hα-helixtrans-61.4-37.9179.2-60.20000112.1L760 S792 N893 L897 L1121L760-T794 HydrophobicContact CB-CG2 3.74Å; L760-T794 PolarHBondContact N-OG1 3.47Å; S792-T794 PolarHBondContact O-N 3.46Å; S792-T794 VanDerWaalsContact O-N 3.14Å; S792-T794 PolarHBondContact OG-N 3.15Å; T794-N893 WeakPolarHBondContact O-CB 3.42Å; T794-N893 PolarHBondContact O-ND2 2.78Å; T794-N893 VanDerWaalsContact O-ND2 3.17Å; T794-L897 HydrophobicContact CG2-CB 4.44Å; T794-L897 HydrophobicContact CG2-CD2 3.98Å; T794-L1121 HydrophobicContact CG2-CD2 3.9Å
795L88.3Confident83.5Confident55 Ų5529.2 Ų29.229%0.28816%0.162SC..Hα-helixtrans-86.2-40-178-75.1-170.5000113.1L789 S792 T793 W894L789-L795 HydrophobicContact CB-CD1 3.41Å; L789-L795 VanDerWaalsContact CB-CD1 3.41Å; L789-L795 HydrophobicContact CB-CG 4.17Å; L789-L795 HydrophobicContact CD1-CD1 4.21Å; L789-L795 HydrophobicContact CG-CD1 4.47Å; S792-L795 PolarHBondContact O-N 3.09Å; T793-L795 VanDerWaalsContact C-N 3.29Å; T793-L795 PolarHBondContact O-N 3.41Å; L795-W894 HydrophobicContact CD1-CE3 4.3Å; L795-W894 HydrophobicContact CD1-CZ3 4.48Å; L795-W894 HydrophobicContact CD2-CB 3.76Å; L795-W894 HydrophobicContact CD2-CD2 4.28Å; L795-W894 HydrophobicContact CD2-CE3 3.7Å; L795-W894 HydrophobicContact CD2-CG 4.38Å
796L89.7Confident82.8Confident40 Ų4027.3 Ų27.321%0.20915%0.154CC..Hα-helixtrans-87.7-27.4-173.1-59.1175.6000113.3A790 S792 L1055 W1086 Y1088A790-L796 WeakPolarHBondContact O-CD1 3.03Å; S792-L796 PolarHBondContact O-N 3.44Å; L796-L1055 HydrophobicContact CD1-CD1 4.19Å; L796-W1086 PolarHBondContact O-NE1 3.18Å; L796-Y1088 VanDerWaalsContact CB-CB 3.44Å; L796-Y1088 HydrophobicContact CB-CG 4.32Å
797A87.8Confident82.9Confident3 Ų326.6 Ų26.63%0.02515%0.15CC..SBendtrans-72.4141.7-177.900000111.1T793 G799 N893 Y1088T793-A797 HydrophobicContact CG2-CB 3.97Å; T793-A797 WeakPolarHBondContact O-CB 3.37Å; T793-A797 PolarHBondContact O-N 2.9Å; A797-G799 PolarHBondContact O-N 3.02Å; A797-N893 PolarHBondContact O-ND2 3.46Å; A797-Y1088 HydrophobicContact CB-CD2 3.88Å; A797-Y1088 HydrophobicContact CB-CE2 3.74Å
798P84.1Confident83.3Confident15 Ų1526.7 Ų26.710%0.09715%0.15CC..PPolyproline II helixtrans-58.7120.5171.6-16.726.7000110.6A1002 W1025 M1036 Y1088P798-A1002 HydrophobicContact CG-CB 4.26Å; P798-W1025 HydrophobicContact CB-CH2 3.86Å; P798-W1025 HydrophobicContact CB-CZ2 4.37Å; P798-W1025 HydrophobicContact CB-CZ3 4.23Å; P798-W1025 HydrophobicContact CG-CH2 3.23Å; P798-W1025 HydrophobicContact CG-CZ2 3.52Å; P798-W1025 HydrophobicContact CG-CZ3 4.09Å; P798-M1036 HydrophobicContact CB-SD 3.97Å; P798-M1036 HydrophobicContact CG-SD 4.27Å; P798-Y1088 WeakPolarHBondContact CD-OH 3Å; P798-Y1088 HydrophobicContact CG-CE1 4.44Å
799G78Confident83.7Confident4 Ų421.5 Ų21.54%0.04113%0.126CC..PPolyproline II helixtrans-84.1140.5177.500000113.7A797 V890 N893A797-G799 PolarHBondContact O-N 3.02Å; G799-V890 WeakPolarHBondContact O-CG1 3.44Å; G799-N893 WeakPolarHBondContact CA-OD1 3.39Å
800G86.3Confident84.1Confident4 Ų421.4 Ų21.44%0.04113%0.125CC..  trans-166.4163176.900000111.9G889G800-G889 CarbonylContact C-O 3.45Å; G800-G889 VanDerWaalsContact CA-O 3.3Å; G800-G889 WeakPolarHBondContact CA-O 3.33Å
801L87.9Confident84.2Confident0 Ų018.9 Ų18.90%010%0.104CC..BIsolated β-bridgetrans-133.3119.9176.8-174.162000108.1S814 T817 A818 L821 F840 N887 E888 G889 F891 Q1122L801-S814 WeakPolarHBondContact CD1-OG 3.5Å; L801-T817 HydrophobicContact CD1-CG2 4.01Å; L801-T817 HydrophobicContact CD2-CG2 4.45Å; L801-A818 HydrophobicContact CD2-CB 3.77Å; L801-L821 HydrophobicContact CD2-CD1 4.29Å; L801-F840 HydrophobicContact CB-CE2 4.34Å; L801-F840 HydrophobicContact CD2-CE2 4.19Å; L801-N887 WeakPolarHBondContact CD2-O 3.36Å; L801-N887 WeakPolarHBondContact CG-O 3.29Å; L801-E888 CarbonylContact O-C 3.49Å; L801-E888 WeakPolarHBondContact O-CA 3.4Å; L801-E888 WeakPolarHBondContact O-CB 3.37Å; L801-G889 PolarHBondContact N-O 3Å; L801-G889 PolarHBondContact O-N 2.92Å; L801-F891 HydrophobicContact CB-CE1 4.24Å; L801-Q1122 HydrophobicContact CD1-CB 3.48Å; L801-Q1122 VanDerWaalsContact CD1-CB 3.48Å
802W83.2Confident84.4Confident22 Ų2216 Ų168%0.0839%0.088CC..  trans-137.1157.5-179.7-38.6-65.1000109.9F805 S814 A845 Y1017 F1019 L1119W802-F805 WeakPolarHBondContact O-CE2 3.42Å; W802-S814 WeakPolarHBondContact O-CB 3.35Å; W802-S814 PolarHBondContact O-OG 3.03Å; W802-A845 HydrophobicContact CB-CB 4.5Å; W802-A845 HydrophobicContact CG-CB 4.28Å; W802-Y1017 AromaticContact CE2-CE2 3.97Å; W802-Y1017 HydrophobicContact CZ2-CD2 4.13Å; W802-Y1017 AromaticContact CZ2-CE2 3.52Å; W802-Y1017 HydrophobicContact CZ2-CE2 3.52Å; W802-Y1017 AromaticContact CZ2-CZ 3.89Å; W802-Y1017 AromaticContact NE1-CD2 3.5Å; W802-Y1017 AromaticContact NE1-CE2 3.82Å; W802-F1019 HydrophobicContact CD2-CE2 4.32Å; W802-F1019 AromaticContact CD2-CZ 3.93Å; W802-F1019 HydrophobicContact CD2-CZ 3.93Å; W802-F1019 AromaticContact CE2-CZ 3.56Å; W802-F1019 HydrophobicContact CE3-CZ 4.26Å; W802-F1019 HydrophobicContact CG-CE2 4.49Å; W802-F1019 HydrophobicContact CH2-CE1 4.36Å; W802-F1019 AromaticContact CH2-CZ 3.96Å; W802-F1019 HydrophobicContact CH2-CZ 3.96Å; W802-F1019 HydrophobicContact CZ2-CE1 4.4Å; W802-F1019 AromaticContact CZ2-CZ 3.62Å; W802-F1019 HydrophobicContact CZ2-CZ 3.62Å; W802-F1019 HydrophobicContact CZ3-CZ 4.25Å; W802-F1019 AromaticContact NE1-CZ 3.96Å; W802-L1119 HydrophobicContact CE3-CD2 4.18Å; W802-L1119 HydrophobicContact CZ3-CD2 3.54Å
803Q77.9Confident84.7Confident11 Ų1115.5 Ų15.55%0.0519%0.085CC..  trans-111.71.7-179.3-62.9-176.65.300112.9F805 Q865 E888Q803-F805 PolarHBondContact O-N 2.97Å; Q803-Q865 WeakPolarHBondContact O-CG 3.3Å; Q803-E888 HydrophobicContact CG-CG 4.43Å; Q803-E888 PolarHBondContact N-OE1 2.94Å
804Q75.4Confident84.7Confident21 Ų2115.1 Ų15.110%0.0988%0.082CC..  trans-84.775.9-171.8-58.5-175.54300111.8A845 F847 Q865Q804-A845 PolarHBondContact NE2-O 3.17Å; Q804-F847 HydrophobicContact CB-CD2 4.07Å; Q804-F847 HydrophobicContact CB-CE2 3.6Å; Q804-F847 HydrophobicContact CB-CZ 4.05Å; Q804-F847 VanDerWaalsContact CD-CD2 3.41Å; Q804-F847 HydrophobicContact CG-CD2 4.3Å; Q804-F847 HydrophobicContact CG-CE2 4.03Å; Q804-Q865 VanDerWaalsContact CA-CD 3.5Å; Q804-Q865 VanDerWaalsContact CA-NE2 3.27Å
805F80.7Confident84.5Confident10 Ų1014.8 Ų14.84%0.0448%0.08CC..  trans-122.3152.7177.1-58.9-63.2000112.1W802 Q803 K810 V811 L1119 H1123 D1162W802-F805 WeakPolarHBondContact O-CE2 3.42Å; Q803-F805 PolarHBondContact O-N 2.97Å; F805-K810 HydrophobicContact CB-CB 3.78Å; F805-K810 HydrophobicContact CB-CD 4.38Å; F805-K810 HydrophobicContact CD1-CB 4.32Å; F805-K810 HydrophobicContact CD1-CD 4.03Å; F805-K810 HydrophobicContact CD2-CB 3.69Å; F805-K810 HydrophobicContact CE2-CB 4.47Å; F805-K810 HydrophobicContact CG-CB 3.63Å; F805-K810 HydrophobicContact CG-CD 4.13Å; F805-V811 HydrophobicContact CB-CG2 4Å; F805-L1119 HydrophobicContact CE1-CD1 4.01Å; F805-L1119 HydrophobicContact CZ-CD1 4.48Å; F805-H1123 AromaticContact CE2-NE2 3.87Å; F805-D1162 HydrophobicContact CD1-CB 4.19Å; F805-D1162 VanDerWaalsContact CD1-OD2 3.31Å; F805-D1162 WeakPolarHBondContact CD1-OD2 3.31Å
806S76.3Confident84.6Confident25 Ų2512.2 Ų12.218%0.1757%0.067CC..SBendtrans-80.6-22.1172.265.50000112.4D861 D1162S806-D861 WeakPolarHBondContact CB-OD1 3.49Å; S806-D1162 WeakPolarHBondContact CB-OD1 3.32Å; S806-D1162 PolarHBondContact N-OD1 3.42Å; S806-D1162 PolarHBondContact OG-OD1 3.33Å
807I84.8Confident84.6Confident10 Ų1010.3 Ų10.35%0.0516%0.057CC..SBendtrans-96.5120.3-176.8-62.8162.9000110.8E809 K810 V811 N1098 F1148 M1159 A1160I807-E809 VanDerWaalsContact C-N 3.26Å; I807-E809 HydrophobicContact CG2-CB 4.08Å; I807-E809 WeakPolarHBondContact CG2-OE2 3.12Å; I807-E809 PolarHBondContact O-N 2.97Å; I807-K810 HydrophobicContact CB-CB 4.32Å; I807-K810 HydrophobicContact CB-CD 4.23Å; I807-K810 HydrophobicContact CB-CG 4.17Å; I807-K810 HydrophobicContact CD1-CD 4.03Å; I807-K810 HydrophobicContact CG2-CG 4.35Å; I807-K810 PolarHBondContact O-N 2.86Å; I807-V811 PolarHBondContact O-N 3.15Å; I807-N1098 WeakPolarHBondContact CD1-OD1 3.33Å; I807-F1148 HydrophobicContact CG2-CZ 4.44Å; I807-M1159 HydrophobicContact CD1-CB 4.33Å; I807-M1159 HydrophobicContact CD1-CE 3.93Å; I807-M1159 HydrophobicContact CG2-CE 3.92Å; I807-A1160 WeakPolarHBondContact CD1-O 3.31Å; I807-A1160 HydrophobicContact CG1-CB 4.33Å
808P82.6Confident84.5Confident32 Ų3210.4 Ų10.421%0.2086%0.058CC..Hα-helixtrans-55.1-38.1-179.8-27.234.9000114.1K810 V811 Q812 F868P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.98Å; P808-V811 PolarHBondContact O-N 2.61Å; P808-Q812 WeakPolarHBondContact O-CG 3.35Å; P808-Q812 PolarHBondContact O-N 3.39Å; P808-Q812 PolarHBondContact O-NE2 2.85Å; P808-F868 HydrophobicContact CB-CD1 4.48Å; P808-F868 HydrophobicContact CB-CD2 3.86Å; P808-F868 HydrophobicContact CB-CE1 4.31Å; P808-F868 HydrophobicContact CB-CE2 3.7Å; P808-F868 HydrophobicContact CB-CG 4.28Å; P808-F868 HydrophobicContact CB-CZ 3.93Å; P808-F868 HydrophobicContact CG-CD2 4.07Å; P808-F868 HydrophobicContact CG-CE2 3.54Å; P808-F868 HydrophobicContact CG-CZ 3.95Å
809E87.5Confident84.5Confident38 Ų3810.2 Ų10.218%0.1786%0.055CC..Hα-helixtrans-65.5-34.3178.8-66.573.3-162.600111.9I807 Q812 M813 I1143 F1148I807-E809 VanDerWaalsContact C-N 3.26Å; I807-E809 HydrophobicContact CG2-CB 4.08Å; I807-E809 WeakPolarHBondContact CG2-OE2 3.12Å; I807-E809 PolarHBondContact O-N 2.97Å; E809-Q812 PolarHBondContact O-N 3.39Å; E809-M813 WeakPolarHBondContact O-CB 3.29Å; E809-M813 VanDerWaalsContact O-CG 3.27Å; E809-M813 WeakPolarHBondContact O-CG 3.17Å; E809-M813 PolarHBondContact O-N 3.17Å; E809-I1143 HydrophobicContact CB-CG2 4.27Å; E809-I1143 HydrophobicContact CG-CG2 4.44Å; E809-F1148 HydrophobicContact CB-CE2 3.62Å; E809-F1148 HydrophobicContact CB-CZ 4.25Å; E809-F1148 HydrophobicContact CG-CE2 4.21Å
810K88.9Confident85Confident8 Ų810 Ų104%0.0355%0.053CC..Hα-helixtrans-70.3-40.9174.7-73.9-177.1172.7174.20111.8F805 I807 P808 Q812 M813 S814 N1098 F1148 D1162F805-K810 HydrophobicContact CB-CB 3.78Å; F805-K810 HydrophobicContact CB-CD 4.38Å; F805-K810 HydrophobicContact CD1-CB 4.32Å; F805-K810 HydrophobicContact CD1-CD 4.03Å; F805-K810 HydrophobicContact CD2-CB 3.69Å; F805-K810 HydrophobicContact CE2-CB 4.47Å; F805-K810 HydrophobicContact CG-CB 3.63Å; F805-K810 HydrophobicContact CG-CD 4.13Å; I807-K810 HydrophobicContact CB-CB 4.32Å; I807-K810 HydrophobicContact CB-CD 4.23Å; I807-K810 HydrophobicContact CB-CG 4.17Å; I807-K810 HydrophobicContact CD1-CD 4.03Å; I807-K810 HydrophobicContact CG2-CG 4.35Å; I807-K810 PolarHBondContact O-N 2.86Å; P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.98Å; K810-Q812 VanDerWaalsContact C-N 3.28Å; K810-Q812 PolarHBondContact O-N 3.29Å; K810-M813 HydrophobicContact CB-CE 4.29Å; K810-M813 HydrophobicContact CG-CE 3.76Å; K810-M813 PolarHBondContact O-N 2.95Å; K810-S814 PolarHBondContact O-N 3.16Å; K810-N1098 WeakPolarHBondContact CE-OD1 3.24Å; K810-N1098 PolarHBondContact NZ-OD1 3.42Å; K810-F1148 HydrophobicContact CG-CZ 4.04Å; K810-D1162 WeakPolarHBondContact CD-OD2 3.3Å; K810-D1162 WeakPolarHBondContact CE-OD2 3.48Å; K810-D1162 IonicContact NZ-OD2 2.67Å; K810-D1162 PolarHBondContact NZ-OD2 3.19Å
811V84.3Confident85.1Confident0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-57.1-45.7172.3-1780000110.1F805 I807 P808 S814 L815 Q865 F868F805-V811 HydrophobicContact CB-CG2 4Å; I807-V811 PolarHBondContact O-N 3.15Å; P808-V811 PolarHBondContact O-N 2.61Å; V811-S814 PolarHBondContact O-N 2.91Å; V811-L815 HydrophobicContact CG1-CD1 3.92Å; V811-L815 WeakPolarHBondContact O-CB 3.36Å; V811-L815 WeakPolarHBondContact O-CG 3.44Å; V811-L815 PolarHBondContact O-N 2.71Å; V811-Q865 HydrophobicContact CG2-CG 4.4Å; V811-F868 HydrophobicContact CG1-CB 4.39Å
812Q86.8Confident84.7Confident11 Ų1116.6 Ų16.65%0.0518%0.079CC..Hα-helixtrans-63.6-41.9176.2-72.5168.45200113.1P701 V705 P808 E809 K810 L815 F816 I1143P701-Q812 VanDerWaalsContact CB-CD 3.47Å; P701-Q812 HydrophobicContact CB-CG 4.23Å; V705-Q812 HydrophobicContact CG2-CB 4.24Å; V705-Q812 HydrophobicContact CG2-CG 4.33Å; P808-Q812 WeakPolarHBondContact O-CG 3.35Å; P808-Q812 PolarHBondContact O-N 3.39Å; P808-Q812 PolarHBondContact O-NE2 2.85Å; E809-Q812 PolarHBondContact O-N 3.39Å; K810-Q812 VanDerWaalsContact C-N 3.28Å; K810-Q812 PolarHBondContact O-N 3.29Å; Q812-L815 PolarHBondContact O-N 3.17Å; Q812-F816 WeakPolarHBondContact O-CB 3.32Å; Q812-F816 PolarHBondContact O-N 3.19Å; Q812-I1143 HydrophobicContact CB-CD1 4.1Å; Q812-I1143 HydrophobicContact CB-CG1 4.16Å; Q812-I1143 HydrophobicContact CB-CG2 4.16Å
813M91.3Very high84.8Confident0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-62-44.3176.1-76.6-168.8-67.700111.5E809 K810 F816 T817 I1101 H1123 P1126 I1143 L1145 F1148E809-M813 WeakPolarHBondContact O-CB 3.29Å; E809-M813 VanDerWaalsContact O-CG 3.27Å; E809-M813 WeakPolarHBondContact O-CG 3.17Å; E809-M813 PolarHBondContact O-N 3.17Å; K810-M813 HydrophobicContact CB-CE 4.29Å; K810-M813 HydrophobicContact CG-CE 3.76Å; K810-M813 PolarHBondContact O-N 2.95Å; M813-F816 WeakPolarHBondContact O-CB 3.39Å; M813-F816 PolarHBondContact O-N 2.9Å; M813-T817 PolarHBondContact O-N 2.7Å; M813-T817 PolarHBondContact O-OG1 3.07Å; M813-I1101 HydrophobicContact SD-CD1 4.15Å; M813-H1123 HydrophobicContact CE-CB 4.4Å; M813-H1123 HydrophobicContact SD-CB 4.15Å; M813-P1126 HydrophobicContact CB-CB 4.11Å; M813-P1126 HydrophobicContact CB-CG 3.53Å; M813-P1126 HydrophobicContact CG-CB 3.86Å; M813-P1126 HydrophobicContact CG-CG 3.69Å; M813-P1126 WeakPolarHBondContact O-CG 3.4Å; M813-P1126 HydrophobicContact SD-CG 4.27Å; M813-I1143 HydrophobicContact CB-CD1 4.45Å; M813-I1143 HydrophobicContact CG-CD1 3.87Å; M813-L1145 HydrophobicContact CE-CD2 4.48Å; M813-L1145 HydrophobicContact CG-CD2 4.23Å; M813-L1145 HydrophobicContact SD-CD2 3.81Å; M813-F1148 HydrophobicContact CE-CE1 4.03Å; M813-F1148 HydrophobicContact CE-CE2 4.22Å; M813-F1148 HydrophobicContact CE-CZ 3.67Å
814S88.5Confident85.2Confident0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-61.3-47.9175.7177.20000112L801 W802 K810 V811 F816 T817 A818L801-S814 WeakPolarHBondContact CD1-OG 3.5Å; W802-S814 WeakPolarHBondContact O-CB 3.35Å; W802-S814 PolarHBondContact O-OG 3.03Å; K810-S814 PolarHBondContact O-N 3.16Å; V811-S814 PolarHBondContact O-N 2.91Å; S814-F816 VanDerWaalsContact C-N 3.3Å; S814-F816 PolarHBondContact O-N 3.01Å; S814-T817 PolarHBondContact O-N 3.33Å; S814-T817 VanDerWaalsContact O-N 3.1Å; S814-A818 PolarHBondContact O-N 3.34Å
815L84.3Confident85.5Confident2 Ų220.4 Ų20.41%0.0110%0.102CC..Hα-helixtrans-60.1-39.9176.5-74.6163.9000112.3Y702 V811 Q812 T817 A818 E819 A869Y702-L815 HydrophobicContact CD2-CD1 3.79Å; Y702-L815 HydrophobicContact CE2-CB 4.47Å; Y702-L815 HydrophobicContact CE2-CD1 4.15Å; Y702-L815 HydrophobicContact CE2-CD2 4.13Å; V811-L815 HydrophobicContact CG1-CD1 3.92Å; V811-L815 WeakPolarHBondContact O-CB 3.36Å; V811-L815 WeakPolarHBondContact O-CG 3.44Å; V811-L815 PolarHBondContact O-N 2.71Å; Q812-L815 PolarHBondContact O-N 3.17Å; L815-T817 VanDerWaalsContact C-N 3.33Å; L815-T817 PolarHBondContact O-N 2.9Å; L815-A818 WeakPolarHBondContact O-CB 3.29Å; L815-A818 PolarHBondContact O-N 3.32Å; L815-E819 WeakPolarHBondContact O-CG 3.43Å; L815-E819 PolarHBondContact O-N 3.09Å; L815-A869 HydrophobicContact CD1-CB 4.17Å
816F89.6Confident85.6Confident0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-58.3-46.6174.1-178-75.5000111.1V705 M709 W768 Q812 M813 S814 E819 F820 P1126 R1129 I1143V705-F816 HydrophobicContact CG1-CB 4.08Å; V705-F816 HydrophobicContact CG1-CD2 4.07Å; M709-F816 HydrophobicContact CE-CE1 4.48Å; M709-F816 HydrophobicContact CE-CZ 4.5Å; M709-F816 HydrophobicContact CG-CD2 3.82Å; M709-F816 HydrophobicContact CG-CE2 3.87Å; M709-F816 HydrophobicContact CG-CG 4.47Å; M709-F816 HydrophobicContact SD-CD1 4.27Å; M709-F816 HydrophobicContact SD-CD2 3.67Å; M709-F816 HydrophobicContact SD-CE1 3.92Å; M709-F816 HydrophobicContact SD-CE2 3.27Å; M709-F816 WeakPolarHBondContact SD-CE2 3.41Å; M709-F816 HydrophobicContact SD-CG 4.15Å; M709-F816 HydrophobicContact SD-CZ 3.4Å; M709-F816 WeakPolarHBondContact SD-CZ 3.24Å; W768-F816 HydrophobicContact CH2-CZ 4.03Å; W768-F816 AromaticContact CZ2-CE1 3.76Å; W768-F816 HydrophobicContact CZ2-CE1 3.76Å; W768-F816 AromaticContact CZ2-CZ 3.56Å; W768-F816 HydrophobicContact CZ2-CZ 3.56Å; Q812-F816 WeakPolarHBondContact O-CB 3.32Å; Q812-F816 PolarHBondContact O-N 3.19Å; M813-F816 WeakPolarHBondContact O-CB 3.39Å; M813-F816 PolarHBondContact O-N 2.9Å; S814-F816 VanDerWaalsContact C-N 3.3Å; S814-F816 PolarHBondContact O-N 3.01Å; F816-E819 PolarHBondContact O-N 3.34Å; F816-F820 WeakPolarHBondContact O-CB 3.37Å; F816-F820 PolarHBondContact O-N 2.95Å; F816-P1126 HydrophobicContact CB-CB 4.06Å; F816-P1126 HydrophobicContact CD1-CB 3.69Å; F816-P1126 HydrophobicContact CD1-CG 4.28Å; F816-P1126 HydrophobicContact CD2-CB 4.48Å; F816-P1126 HydrophobicContact CE1-CB 4.26Å; F816-P1126 HydrophobicContact CG-CB 3.84Å; F816-R1129 HydrophobicContact CE1-CB 4.49Å; F816-R1129 HydrophobicContact CE2-CB 4.45Å; F816-R1129 HydrophobicContact CE2-CG 4.01Å; F816-R1129 HydrophobicContact CZ-CB 3.92Å; F816-R1129 HydrophobicContact CZ-CG 3.85Å; F816-I1143 HydrophobicContact CB-CD1 4.18Å; F816-I1143 HydrophobicContact CD2-CD1 4.44Å
817T90.7Very high86.2Confident0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-66.4-39.8178.5-65.50000111.9L801 M813 S814 L815 E819 F820 L821 Q1122 L1125 P1126L801-T817 HydrophobicContact CD1-CG2 4.01Å; L801-T817 HydrophobicContact CD2-CG2 4.45Å; M813-T817 PolarHBondContact O-N 2.7Å; M813-T817 PolarHBondContact O-OG1 3.07Å; S814-T817 PolarHBondContact O-N 3.33Å; S814-T817 VanDerWaalsContact O-N 3.1Å; L815-T817 VanDerWaalsContact C-N 3.33Å; L815-T817 PolarHBondContact O-N 2.9Å; T817-E819 VanDerWaalsContact C-N 3.33Å; T817-E819 PolarHBondContact O-N 3.48Å; T817-F820 PolarHBondContact O-N 3.02Å; T817-L821 HydrophobicContact CG2-CD1 4.01Å; T817-L821 HydrophobicContact CG2-CG 4.22Å; T817-L821 WeakPolarHBondContact O-CG 3.33Å; T817-L821 PolarHBondContact O-N 3.43Å; T817-Q1122 WeakPolarHBondContact CB-O 3.32Å; T817-Q1122 PolarHBondContact OG1-O 2.78Å; T817-L1125 HydrophobicContact CG2-CD1 4.09Å; T817-P1126 VanDerWaalsContact OG1-CD 3.26Å; T817-P1126 WeakPolarHBondContact OG1-CD 3.5Å
818A85.3Confident86.4Confident6 Ų619.6 Ų19.65%0.0510%0.096CC..Hα-helixtrans-56-48.3174.500000111.6L801 S814 L815 L821 R822 N887L801-A818 HydrophobicContact CD2-CB 3.77Å; S814-A818 PolarHBondContact O-N 3.34Å; L815-A818 WeakPolarHBondContact O-CB 3.29Å; L815-A818 PolarHBondContact O-N 3.32Å; A818-L821 PolarHBondContact O-N 3.06Å; A818-R822 WeakPolarHBondContact O-CB 3.49Å; A818-R822 PolarHBondContact O-N 3.26Å; A818-N887 HydrophobicContact CB-CB 3.84Å
819E84.5Confident86.5Confident10 Ų1021 Ų215%0.04710%0.099CC..Hα-helixtrans-67.8-35.6178.7-68.6-55160.200113W706 M709 L815 F816 T817 R822 N823W706-E819 HydrophobicContact CE3-CG 4.02Å; W706-E819 HydrophobicContact CZ3-CG 3.89Å; W706-E819 WeakPolarHBondContact CZ3-OE2 3.29Å; M709-E819 HydrophobicContact CE-CB 3.78Å; L815-E819 WeakPolarHBondContact O-CG 3.43Å; L815-E819 PolarHBondContact O-N 3.09Å; F816-E819 PolarHBondContact O-N 3.34Å; T817-E819 VanDerWaalsContact C-N 3.33Å; T817-E819 PolarHBondContact O-N 3.48Å; E819-R822 IonicContact OE1-CZ 2.71Å; E819-R822 IonicContact OE1-NH1 2.68Å; E819-R822 PolarHBondContact OE1-NH1 3.46Å; E819-R822 IonicContact OE2-CZ 3.91Å; E819-R822 IonicContact OE2-NH1 3.52Å; E819-R822 PolarHBondContact OE2-NH1 3Å; E819-N823 PolarHBondContact O-N 3.2Å; E819-N823 PolarHBondContact O-ND2 3.28Å
820F88.9Confident86.2Confident0 Ų020.2 Ų20.20%010%0.095CC..Hα-helixtrans-63-47.7175-176-87.2000110.9M709 Y767 W768 F816 T817 N823 A824 H827 L828 L896 L1125M709-F820 HydrophobicContact CE-CB 3.79Å; M709-F820 HydrophobicContact CE-CD2 4.47Å; M709-F820 VanDerWaalsContact CE-N 3.31Å; Y767-F820 AromaticContact CE1-CE2 3.89Å; Y767-F820 HydrophobicContact CE1-CE2 3.89Å; Y767-F820 HydrophobicContact CE1-CZ 4.24Å; W768-F820 HydrophobicContact CH2-CD2 4.19Å; W768-F820 HydrophobicContact CH2-CE2 4.14Å; W768-F820 AromaticContact CZ2-CD2 3.83Å; W768-F820 HydrophobicContact CZ2-CD2 3.83Å; W768-F820 AromaticContact CZ2-CE2 3.81Å; W768-F820 HydrophobicContact CZ2-CE2 3.81Å; F816-F820 WeakPolarHBondContact O-CB 3.37Å; F816-F820 PolarHBondContact O-N 2.95Å; T817-F820 PolarHBondContact O-N 3.02Å; F820-N823 CarbonylContact O-C 3.51Å; F820-N823 VanDerWaalsContact O-C 3.3Å; F820-N823 PolarHBondContact O-N 3.34Å; F820-A824 WeakPolarHBondContact O-CA 3.48Å; F820-A824 PolarHBondContact O-N 3.43Å; F820-H827 HydrophobicContact CD2-CB 4.29Å; F820-H827 AromaticContact CD2-CD2 3.74Å; F820-H827 AromaticContact CD2-CG 3.86Å; F820-H827 HydrophobicContact CE2-CB 3.63Å; F820-H827 AromaticContact CE2-CD2 3.98Å; F820-H827 AromaticContact CE2-CG 3.62Å; F820-H827 HydrophobicContact CZ-CB 3.8Å; F820-L828 HydrophobicContact CE1-CD1 4.2Å; F820-L828 HydrophobicContact CE1-CG 4.35Å; F820-L828 HydrophobicContact CZ-CD1 4.38Å; F820-L828 HydrophobicContact CZ-CD2 3.95Å; F820-L828 HydrophobicContact CZ-CG 4.08Å; F820-L896 HydrophobicContact CE1-CD1 4.47Å; F820-L1125 HydrophobicContact CB-CD1 4.43Å; F820-L1125 HydrophobicContact CD1-CD1 3.48Å; F820-L1125 VanDerWaalsContact CD1-CD1 3.48Å; F820-L1125 HydrophobicContact CD1-CD2 4.33Å; F820-L1125 HydrophobicContact CE1-CD1 3.9Å; F820-L1125 HydrophobicContact CE1-CD2 4.05Å; F820-L1125 HydrophobicContact CG-CD1 4.01Å; F820-L1125 HydrophobicContact CZ-CD2 4.17Å
821L86.9Confident85.5Confident22 Ų2222.3 Ų22.312%0.11511%0.107CC..Hα-helixtrans-64.6-40.1-179.9-69.9178.2000112L801 T817 A818 N823 A824 I838 F840 F891 L896L801-L821 HydrophobicContact CD2-CD1 4.29Å; T817-L821 HydrophobicContact CG2-CD1 4.01Å; T817-L821 HydrophobicContact CG2-CG 4.22Å; T817-L821 WeakPolarHBondContact O-CG 3.33Å; T817-L821 PolarHBondContact O-N 3.43Å; A818-L821 PolarHBondContact O-N 3.06Å; L821-N823 PolarHBondContact O-N 2.98Å; L821-A824 WeakPolarHBondContact O-CB 3.37Å; L821-A824 PolarHBondContact O-N 2.61Å; L821-I838 HydrophobicContact CD2-CG2 4.29Å; L821-F840 HydrophobicContact CD1-CD2 4.36Å; L821-F891 HydrophobicContact CD1-CD1 3.79Å; L821-F891 HydrophobicContact CD1-CE1 3.96Å; L821-F891 HydrophobicContact CD1-CG 4.18Å; L821-F891 HydrophobicContact CD1-CZ 4.47Å; L821-L896 HydrophobicContact CD2-CD1 3.69Å; L821-L896 HydrophobicContact CD2-CD2 4.02Å; L821-L896 HydrophobicContact CD2-CG 4.44Å
822R80.6Confident85Confident121 Ų12128.1 Ų28.146%0.45714%0.138SC..Hα-helixtrans-57.8-32.5175.8-176.7178.3-69131.60113A818 E819 N887A818-R822 WeakPolarHBondContact O-CB 3.49Å; A818-R822 PolarHBondContact O-N 3.26Å; E819-R822 IonicContact OE1-CZ 2.71Å; E819-R822 IonicContact OE1-NH1 2.68Å; E819-R822 PolarHBondContact OE1-NH1 3.46Å; E819-R822 IonicContact OE2-CZ 3.91Å; E819-R822 IonicContact OE2-NH1 3.52Å; E819-R822 PolarHBondContact OE2-NH1 3Å; R822-N887 PolarHBondContact NH2-OD1 2.76Å
823N85.1Confident84.4Confident41 Ų4131.9 Ų31.922%0.21916%0.158CC..THydrogen-bonded Turntrans-115.624.8-178.5-56.8-83.3000111.9Y713 E819 F820 L821 D825 E826 H827Y713-N823 HydrophobicContact CD2-CB 3.95Å; Y713-N823 HydrophobicContact CE2-CB 4.16Å; E819-N823 PolarHBondContact O-N 3.2Å; E819-N823 PolarHBondContact O-ND2 3.28Å; F820-N823 CarbonylContact O-C 3.51Å; F820-N823 VanDerWaalsContact O-C 3.3Å; F820-N823 PolarHBondContact O-N 3.34Å; L821-N823 PolarHBondContact O-N 2.98Å; N823-D825 VanDerWaalsContact C-OD1 3.3Å; N823-D825 PolarHBondContact O-N 3.35Å; N823-E826 PolarHBondContact O-N 3.23Å; N823-H827 PolarHBondContact O-CD2 2.81Å; N823-H827 PolarHBondContact O-N 3.16Å
824A86.5Confident83.6Confident5 Ų539.5 Ų39.54%0.04120%0.199CC..Hα-helixtrans-62.4-31.4-17400000111.8F820 L821 E826 H827 L828 I838F820-A824 WeakPolarHBondContact O-CA 3.48Å; F820-A824 PolarHBondContact O-N 3.43Å; L821-A824 WeakPolarHBondContact O-CB 3.37Å; L821-A824 PolarHBondContact O-N 2.61Å; A824-E826 VanDerWaalsContact C-N 3.25Å; A824-E826 PolarHBondContact O-N 3.14Å; A824-H827 PolarHBondContact O-N 2.98Å; A824-L828 VanDerWaalsContact O-CB 3.31Å; A824-L828 WeakPolarHBondContact O-CB 3.14Å; A824-L828 PolarHBondContact O-N 3.36Å; A824-I838 HydrophobicContact CB-CD1 3.76Å
825D82.1Confident82.6Confident88 Ų8841.8 Ų41.847%0.47121%0.211SC..Hα-helixtrans-61.1-31.4175.667.6-39.5000113.4N823 K829 L835N823-D825 VanDerWaalsContact C-OD1 3.3Å; N823-D825 PolarHBondContact O-N 3.35Å; D825-K829 WeakPolarHBondContact O-CB 3.08Å; D825-L835 HydrophobicContact CB-CD1 4.12Å; D825-L835 VanDerWaalsContact O-CD1 3.25Å; D825-L835 WeakPolarHBondContact O-CD1 3.31Å
826E83.4Confident81.9Confident27 Ų2742.9 Ų42.913%0.12622%0.218CC..Hα-helixtrans-88.5-38.9174.3-73.3-66.4141.400111.7Y713 T716 N823 A824 K829Y713-E826 HydrophobicContact CD2-CB 4.11Å; Y713-E826 HydrophobicContact CE2-CB 3.69Å; Y713-E826 HydrophobicContact CE2-CG 3.72Å; T716-E826 VanDerWaalsContact CG2-O 3.27Å; T716-E826 WeakPolarHBondContact CG2-O 3.39Å; N823-E826 PolarHBondContact O-N 3.23Å; A824-E826 VanDerWaalsContact C-N 3.25Å; A824-E826 PolarHBondContact O-N 3.14Å; E826-K829 IonicContact OE1-NZ 2.75Å; E826-K829 PolarHBondContact OE1-NZ 3.1Å
827H87.9Confident81Confident1 Ų147.3 Ų47.31%0.00525%0.247CC..Hα-helixtrans-65.1-41.7179.2-78.5-62.3000113.3Y767 F820 N823 A824Y767-H827 PolarHBondContact OH-O 3.26Å; F820-H827 HydrophobicContact CD2-CB 4.29Å; F820-H827 AromaticContact CD2-CD2 3.74Å; F820-H827 AromaticContact CD2-CG 3.86Å; F820-H827 HydrophobicContact CE2-CB 3.63Å; F820-H827 AromaticContact CE2-CD2 3.98Å; F820-H827 AromaticContact CE2-CG 3.62Å; F820-H827 HydrophobicContact CZ-CB 3.8Å; N823-H827 PolarHBondContact O-CD2 2.81Å; N823-H827 PolarHBondContact O-N 3.16Å; A824-H827 PolarHBondContact O-N 2.98Å
828L88.9Confident80.5Confident0 Ų049 Ų490%026%0.256CS..SBendtrans-103.72.8-171.5-59.3179.6000113Y767 F820 A824 I830 L835 I838 L896 A899 I900 K903Y767-L828 HydrophobicContact CD2-CD2 4.16Å; Y767-L828 HydrophobicContact CE2-CD2 3.76Å; F820-L828 HydrophobicContact CE1-CD1 4.2Å; F820-L828 HydrophobicContact CE1-CG 4.35Å; F820-L828 HydrophobicContact CZ-CD1 4.38Å; F820-L828 HydrophobicContact CZ-CD2 3.95Å; F820-L828 HydrophobicContact CZ-CG 4.08Å; A824-L828 VanDerWaalsContact O-CB 3.31Å; A824-L828 WeakPolarHBondContact O-CB 3.14Å; A824-L828 PolarHBondContact O-N 3.36Å; L828-I830 PolarHBondContact O-N 3Å; L828-L835 HydrophobicContact CB-CD2 3.46Å; L828-L835 VanDerWaalsContact CB-CD2 3.46Å; L828-I838 HydrophobicContact CD1-CD1 4.02Å; L828-L896 HydrophobicContact CD1-CD1 4.46Å; L828-A899 HydrophobicContact CD1-CB 3.72Å; L828-I900 HydrophobicContact CD1-CG1 3.78Å; L828-I900 HydrophobicContact CD2-CB 4.48Å; L828-I900 HydrophobicContact CD2-CG1 3.83Å; L828-I900 HydrophobicContact CG-CG1 4.47Å; L828-K903 HydrophobicContact CD2-CB 4.14Å; L828-K903 HydrophobicContact CD2-CG 4.17Å
829K84.5Confident80.1Confident61 Ų6155.2 Ų55.227%0.26528%0.281SS..  trans-52130-178.1-148.8166.3-171.71510113.2F720 D825 E826 L835 K903F720-K829 HydrophobicContact CD1-CD 4.15Å; F720-K829 HydrophobicContact CD2-CB 4.19Å; F720-K829 HydrophobicContact CD2-CD 4.12Å; F720-K829 HydrophobicContact CD2-CG 4.16Å; F720-K829 HydrophobicContact CE1-CD 3.86Å; F720-K829 HydrophobicContact CE2-CB 4.21Å; F720-K829 HydrophobicContact CE2-CD 3.83Å; F720-K829 HydrophobicContact CE2-CG 3.73Å; F720-K829 HydrophobicContact CG-CD 4.27Å; F720-K829 HydrophobicContact CZ-CD 3.7Å; F720-K829 HydrophobicContact CZ-CG 3.99Å; D825-K829 WeakPolarHBondContact O-CB 3.08Å; E826-K829 IonicContact OE1-NZ 2.75Å; E826-K829 PolarHBondContact OE1-NZ 3.1Å; K829-L835 HydrophobicContact CB-CD1 4.47Å; K829-L835 HydrophobicContact CG-CD1 4.32Å; K829-K903 PolarHBondContact O-NZ 2.92Å
830I82.5Confident79.9Confident21 Ų2157.7 Ų57.711%0.10829%0.292CS..  trans-113.5145.6173.9-64.1168.7000108.1L828 N833 E902 K903 T906L828-I830 PolarHBondContact O-N 3Å; I830-N833 HydrophobicContact CB-CB 4.11Å; I830-N833 HydrophobicContact CG2-CB 3.95Å; I830-E902 HydrophobicContact CD1-CB 3.75Å; I830-K903 HydrophobicContact CD1-CB 4.49Å; I830-K903 HydrophobicContact CG1-CD 3.93Å; I830-T906 HydrophobicContact CD1-CG2 3.99Å; I830-T906 HydrophobicContact CG1-CG2 4.02Å; I830-T906 HydrophobicContact CG2-CG2 3.78Å
831L74.3Confident79.5Confident53 Ų5361.3 Ų61.328%0.27731%0.314SS..SBendtrans-69135.9174-75.7164.1000108.9F720 A723 K724 N833F720-L831 HydrophobicContact CD2-CD2 4.48Å; F720-L831 HydrophobicContact CE2-CD2 3.74Å; F720-L831 HydrophobicContact CE2-CG 4.01Å; F720-L831 HydrophobicContact CZ-CD2 3.93Å; A723-L831 HydrophobicContact CB-CD1 3.94Å; K724-L831 HydrophobicContact CB-CD2 4.03Å; K724-L831 HydrophobicContact CG-CD2 4.5Å; L831-N833 PolarHBondContact O-N 3.28Å; L831-N833 VanDerWaalsContact O-N 3.08Å
832D71.8Confident79Confident121 Ų12164.4 Ų64.465%0.64734%0.336SS*.SBendtrans64.21.1177.2-53.8-23.7000116.7Y727Y727-D832 PolarHBondContact OH-OD2 3.04Å
833N74.6Confident78.9Confident91 Ų9159.9 Ų59.949%0.48732%0.32SS..  trans-114.3137.8173.9-71.710.8000111.5I830 L831I830-N833 HydrophobicContact CB-CB 4.11Å; I830-N833 HydrophobicContact CG2-CB 3.95Å; L831-N833 PolarHBondContact O-N 3.28Å; L831-N833 VanDerWaalsContact O-N 3.08Å
834D74.4Confident78.4Confident159 Ų15961 Ų6185%0.8533%0.326SS*.PPolyproline II helixtrans-71.6140.9164.2-68.7-39.2000109.9
835L68.8Low78Confident49 Ų4960.8 Ų60.826%0.25732%0.324SS..PPolyproline II helixtrans-68.9141.8173.4-80.8130.8000110.6D825 L828 K829D825-L835 HydrophobicContact CB-CD1 4.12Å; D825-L835 VanDerWaalsContact O-CD1 3.25Å; D825-L835 WeakPolarHBondContact O-CD1 3.31Å; L828-L835 HydrophobicContact CB-CD2 3.46Å; L828-L835 VanDerWaalsContact CB-CD2 3.46Å; K829-L835 HydrophobicContact CB-CD1 4.47Å; K829-L835 HydrophobicContact CG-CD1 4.32Å
836P68.6Low77.8Confident25 Ų2557.6 Ų57.616%0.16231%0.307CS..PPolyproline II helixtrans-51.2131163.4-24.333.7000109.1I838 A899P836-I838 VanDerWaalsContact C-N 3.32Å; P836-I838 PolarHBondContact O-N 3.19Å; P836-A899 HydrophobicContact CB-CB 4.36Å; P836-A899 HydrophobicContact CG-CB 3.94Å
837P71.4Confident77.6Confident92 Ų9258.5 Ų58.560%0.59731%0.311SS*.  trans-73.287.5-173.929.2-34.8000109.3K839 Q895P837-K839 PolarHBondContact O-N 3.43Å; P837-Q895 PolarHBondContact O-OE1 3.3Å
838I80Confident77.2Confident37 Ų3760 Ų6019%0.1932%0.318CS..  trans-62.6101.9179.4-57.8167.1000108.2L821 A824 L828 P836 F840 L896 A899L821-I838 HydrophobicContact CD2-CG2 4.29Å; A824-I838 HydrophobicContact CB-CD1 3.76Å; L828-I838 HydrophobicContact CD1-CD1 4.02Å; P836-I838 VanDerWaalsContact C-N 3.32Å; P836-I838 PolarHBondContact O-N 3.19Å; I838-F840 PolarHBondContact O-N 2.94Å; I838-L896 HydrophobicContact CD1-CD1 3.96Å; I838-A899 HydrophobicContact CD1-CB 4.11Å; I838-A899 HydrophobicContact CG1-CB 4.48Å
839K76.5Confident76.6Confident135 Ų13560.1 Ų60.159%0.58732%0.32SS*.  trans-80.1111.5179.6-67.4-179.7-175.8176.70109.3P837 F891 D892 Q895P837-K839 PolarHBondContact O-N 3.43Å; K839-F891 WeakPolarHBondContact O-CA 3.48Å; K839-F891 WeakPolarHBondContact O-CB 3.45Å; K839-D892 PolarHBondContact O-N 3.39Å; K839-Q895 VanDerWaalsContact N-OE1 3.12Å
840F81Confident76.2Confident63 Ų6360.3 Ų60.328%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-102.3124.6165.4-179-101.6000109L801 L821 I838 P842 E888 F891L801-F840 HydrophobicContact CB-CE2 4.34Å; L801-F840 HydrophobicContact CD2-CE2 4.19Å; L821-F840 HydrophobicContact CD1-CD2 4.36Å; I838-F840 PolarHBondContact O-N 2.94Å; F840-P842 HydrophobicContact CD1-CG 4.09Å; F840-P842 HydrophobicContact CE1-CB 4.3Å; F840-P842 HydrophobicContact CE1-CG 3.95Å; F840-E888 WeakPolarHBondContact CZ-O 3.24Å; F840-F891 HydrophobicContact CD2-CB 4.12Å; F840-F891 HydrophobicContact CD2-CD1 4.21Å; F840-F891 HydrophobicContact CE2-CD1 4.49Å
841T79.6Confident76Confident76 Ų7662.3 Ų62.347%0.46634%0.339SS..EExtended strand (participates in β ladder)trans-108.8106.8175.8-53.50000108M843 G889 V890T841-M843 PolarHBondContact O-N 3.21Å; T841-G889 VanDerWaalsContact O-CA 3.23Å; T841-G889 WeakPolarHBondContact O-CA 3.27Å; T841-V890 PolarHBondContact N-O 3.4Å; T841-V890 PolarHBondContact O-N 2.98Å
842P77.7Confident76.2Confident86 Ų8667.5 Ų67.556%0.55836%0.362SS*.EExtended strand (participates in β ladder)trans-57.2129.4176.2-23.733.3000110.6F840 E888F840-P842 HydrophobicContact CD1-CG 4.09Å; F840-P842 HydrophobicContact CE1-CB 4.3Å; F840-P842 HydrophobicContact CE1-CG 3.95Å; P842-E888 WeakPolarHBondContact CA-O 3.37Å
843M77.8Confident76.4Confident26 Ų2669.5 Ų69.513%0.12837%0.368CS..  trans-153.5119.2-178-175.7-179.5-69.900108.9T841 E888 G889 V890 Y1017 R1027T841-M843 PolarHBondContact O-N 3.21Å; M843-E888 PolarHBondContact N-O 3.32Å; M843-E888 CarbonylContact O-C 3.56Å; M843-G889 PolarHBondContact O-N 3.27Å; M843-V890 HydrophobicContact CE-CG2 4.41Å; M843-V890 HydrophobicContact SD-CG1 4.44Å; M843-Y1017 HydrophobicContact SD-CD2 4.37Å; M843-R1027 HydrophobicContact SD-CB 3.93Å
844N74.7Confident76.4Confident65 Ų6568.2 Ų68.235%0.34836%0.359SS..  trans-67.5139.1179.5-67.5-12.4000110.7G884 P1016 Y1017N844-G884 WeakPolarHBondContact OD1-CA 3.27Å; N844-G884 PolarHBondContact OD1-O 3.49Å; N844-P1016 HydrophobicContact CB-CB 4.49Å; N844-P1016 CarbonylContact O-C 3.49Å; N844-P1016 WeakPolarHBondContact O-CA 3.38Å; N844-P1016 WeakPolarHBondContact O-CB 3.46Å; N844-Y1017 PolarHBondContact O-N 3.22Å
845A77.9Confident76.4Confident0 Ų061.3 Ų61.30%032%0.324CS..EExtended strand (participates in β ladder)trans-91.2141.6170.200000112.1W802 Q804 F847 E888 Y1017 F1019W802-A845 HydrophobicContact CB-CB 4.5Å; W802-A845 HydrophobicContact CG-CB 4.28Å; Q804-A845 PolarHBondContact NE2-O 3.17Å; A845-F847 HydrophobicContact CB-CD2 4.42Å; A845-F847 HydrophobicContact CB-CE2 3.92Å; A845-E888 PolarHBondContact N-OE2 2.89Å; A845-Y1017 CarbonylContact C-O 3.54Å; A845-Y1017 WeakPolarHBondContact CA-O 3.31Å; A845-F1019 HydrophobicContact CB-CD2 4.28Å; A845-F1019 HydrophobicContact CB-CE2 3.93Å
846L77.7Confident76.6Confident22 Ų2261.8 Ų61.812%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-126.2111.1177.9171.950.8000110.2L848 L881 P1016 Y1017 L1018 F1019L846-L848 HydrophobicContact CD1-CD2 3.95Å; L846-L848 HydrophobicContact CD2-CD2 4.12Å; L846-L848 HydrophobicContact CG-CD2 3.89Å; L846-L848 HydrophobicContact CG-CG 4.48Å; L846-L881 HydrophobicContact CD1-CB 4.4Å; L846-L881 HydrophobicContact CD1-CD2 3.34Å; L846-L881 HydrophobicContact CD1-CG 3.98Å; L846-L881 HydrophobicContact CD2-CD2 3.83Å; L846-L881 HydrophobicContact CG-CD2 4.17Å; L846-P1016 HydrophobicContact CB-CB 3.82Å; L846-P1016 HydrophobicContact CB-CG 3.73Å; L846-P1016 HydrophobicContact CD2-CG 3.77Å; L846-P1016 HydrophobicContact CG-CG 4.42Å; L846-Y1017 PolarHBondContact N-O 3.42Å; L846-L1018 HydrophobicContact CD2-CD1 4.25Å; L846-L1018 HydrophobicContact CG-CD1 4.25Å; L846-L1018 CarbonylContact O-C 3.57Å; L846-F1019 PolarHBondContact O-N 2.88Å
847F79.6Confident76.9Confident45 Ų4565.6 Ų65.620%0.19735%0.349CS..EExtended strand (participates in β ladder)trans-96.2125.2175.4-70.8-108.6000110.5Q804 A845 L858 F1019Q804-F847 HydrophobicContact CB-CD2 4.07Å; Q804-F847 HydrophobicContact CB-CE2 3.6Å; Q804-F847 HydrophobicContact CB-CZ 4.05Å; Q804-F847 VanDerWaalsContact CD-CD2 3.41Å; Q804-F847 HydrophobicContact CG-CD2 4.3Å; Q804-F847 HydrophobicContact CG-CE2 4.03Å; A845-F847 HydrophobicContact CB-CD2 4.42Å; A845-F847 HydrophobicContact CB-CE2 3.92Å; F847-L858 HydrophobicContact CB-CD1 4.33Å; F847-L858 HydrophobicContact CB-CD2 4.08Å; F847-F1019 CarbonylContact C-O 3.54Å; F847-F1019 WeakPolarHBondContact CA-O 3.27Å; F847-F1019 HydrophobicContact CD1-CB 3.62Å; F847-F1019 HydrophobicContact CD1-CD2 4.4Å; F847-F1019 HydrophobicContact CD1-CG 4.12Å; F847-F1019 HydrophobicContact CD2-CB 4.35Å; F847-F1019 AromaticContact CD2-CD2 3.95Å; F847-F1019 HydrophobicContact CD2-CD2 3.95Å; F847-F1019 HydrophobicContact CD2-CG 4.45Å; F847-F1019 HydrophobicContact CE1-CB 3.8Å; F847-F1019 HydrophobicContact CE1-CD1 4.34Å; F847-F1019 HydrophobicContact CE1-CD2 4.03Å; F847-F1019 AromaticContact CE1-CG 3.79Å; F847-F1019 HydrophobicContact CE1-CG 3.79Å; F847-F1019 AromaticContact CE2-CD2 3.57Å; F847-F1019 HydrophobicContact CE2-CD2 3.57Å; F847-F1019 HydrophobicContact CE2-CE2 4.04Å; F847-F1019 HydrophobicContact CE2-CG 4.19Å; F847-F1019 HydrophobicContact CG-CB 3.94Å; F847-F1019 HydrophobicContact CG-CD2 4.38Å; F847-F1019 HydrophobicContact CG-CG 4.45Å; F847-F1019 HydrophobicContact CZ-CB 4.27Å; F847-F1019 HydrophobicContact CZ-CD1 4.44Å; F847-F1019 AromaticContact CZ-CD2 3.61Å; F847-F1019 HydrophobicContact CZ-CD2 3.61Å; F847-F1019 HydrophobicContact CZ-CE2 4.03Å; F847-F1019 AromaticContact CZ-CG 3.85Å; F847-F1019 HydrophobicContact CZ-CG 3.85Å
848L78.5Confident76.9Confident32 Ų3263.8 Ų63.817%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-105.2124.8-179.6-60.6-173.7000110.8L846 L1018 F1019 S1021 R1073L846-L848 HydrophobicContact CD1-CD2 3.95Å; L846-L848 HydrophobicContact CD2-CD2 4.12Å; L846-L848 HydrophobicContact CG-CD2 3.89Å; L846-L848 HydrophobicContact CG-CG 4.48Å; L848-L1018 HydrophobicContact CD1-CD1 3.55Å; L848-L1018 HydrophobicContact CD1-CG 4.46Å; L848-L1018 HydrophobicContact CD2-CD1 4.43Å; L848-L1018 HydrophobicContact CG-CD1 3.74Å; L848-F1019 PolarHBondContact N-O 2.98Å; L848-S1021 WeakPolarHBondContact O-CB 3.39Å; L848-S1021 PolarHBondContact O-N 3.39Å; L848-S1021 PolarHBondContact O-OG 2.94Å; L848-R1073 HydrophobicContact CD1-CG 4.32Å
849A77Confident76.5Confident4 Ų465 Ų653%0.03335%0.345CS..  trans-85.7139.7169.400000111.8E854 A855 L858 R880A849-E854 HydrophobicContact CB-CB 3.57Å; A849-A855 HydrophobicContact CB-CB 3.91Å; A849-L858 HydrophobicContact CB-CD1 3.7Å; A849-R880 PolarHBondContact O-NH1 2.75Å
850S75.2Confident76.3Confident64 Ų6464.9 Ų64.945%0.44835%0.347SS..SBendtrans-72.7-41.417468.80000111.7E854 R880 S1021S850-E854 WeakPolarHBondContact CB-OE2 3.44Å; S850-E854 PolarHBondContact N-OE2 3.08Å; S850-E854 PolarHBondContact OG-OE1 3.26Å; S850-E854 PolarHBondContact OG-OE2 3.5Å; S850-R880 VanDerWaalsContact C-NH1 3.27Å; S850-R880 PolarHBondContact O-NH1 3.01Å; S850-R880 VanDerWaalsContact O-NH1 3.15Å; S850-S1021 VanDerWaalsContact CB-OG 3.32Å; S850-S1021 WeakPolarHBondContact CB-OG 3.4Å; S850-S1021 PolarHBondContact N-OG 2.78Å
851N79.9Confident75.8Confident63 Ų6363.3 Ų63.334%0.33734%0.342SS..SBendtrans-131.2176.8-172.864.756.1000112E853 E854 A855 R880N851-E853 WeakPolarHBondContact OD1-CB 3.11Å; N851-E853 PolarHBondContact OD1-N 2.94Å; N851-E853 VanDerWaalsContact OD1-N 3.08Å; N851-E854 PolarHBondContact ND2-OE1 3.29Å; N851-E854 PolarHBondContact OD1-N 3.39Å; N851-A855 WeakPolarHBondContact O-CB 3.36Å; N851-A855 PolarHBondContact O-N 2.81Å; N851-R880 PolarHBondContact O-NH1 2.84Å; N851-R880 PolarHBondContact O-NH2 3.32Å
852E77.6Confident75.3Confident162 Ų16260 Ų6076%0.75732%0.321SS*.Hα-helixtrans-74.4-28-174.6-160.9164.4-157.200113A855 A856E852-A855 PolarHBondContact O-N 3.38Å; E852-A856 PolarHBondContact O-N 3.5Å
853E77Confident74.8Confident164 Ų16463 Ų6377%0.76633%0.326SS*.Hα-helixtrans-69-46.7175.7-173.8176.8-178.700111.4N851 A855 A856 K857N851-E853 WeakPolarHBondContact OD1-CB 3.11Å; N851-E853 PolarHBondContact OD1-N 2.94Å; N851-E853 VanDerWaalsContact OD1-N 3.08Å; E853-A855 VanDerWaalsContact C-N 3.28Å; E853-A855 PolarHBondContact O-N 3.16Å; E853-A856 WeakPolarHBondContact O-CB 3.09Å; E853-A856 PolarHBondContact O-N 2.85Å; E853-A856 VanDerWaalsContact O-N 3.15Å; E853-K857 PolarHBondContact O-N 3.06Å
854E73.3Confident74.3Confident64 Ų6462.9 Ų62.930%0.29933%0.327SS..Hα-helixtrans-61.5-37.3172.3-75.1174.3-165.700111.9A849 S850 N851 A856 K857 L858 S1021A849-E854 HydrophobicContact CB-CB 3.57Å; S850-E854 WeakPolarHBondContact CB-OE2 3.44Å; S850-E854 PolarHBondContact N-OE2 3.08Å; S850-E854 PolarHBondContact OG-OE1 3.26Å; S850-E854 PolarHBondContact OG-OE2 3.5Å; N851-E854 PolarHBondContact ND2-OE1 3.29Å; N851-E854 PolarHBondContact OD1-N 3.39Å; E854-A856 VanDerWaalsContact C-N 3.31Å; E854-A856 PolarHBondContact O-N 2.83Å; E854-K857 PolarHBondContact O-N 3Å; E854-L858 WeakPolarHBondContact O-CG 2.93Å; E854-L858 PolarHBondContact O-N 2.82Å; E854-S1021 WeakPolarHBondContact OE2-CB 3.43Å
855A73.9Confident73.9Confident14 Ų1460.2 Ų60.212%0.11631%0.313CS..Hα-helixtrans-65.9-36.1176.100000112.2A849 N851 E852 E853 S859 R880A849-A855 HydrophobicContact CB-CB 3.91Å; N851-A855 WeakPolarHBondContact O-CB 3.36Å; N851-A855 PolarHBondContact O-N 2.81Å; E852-A855 PolarHBondContact O-N 3.38Å; E853-A855 VanDerWaalsContact C-N 3.28Å; E853-A855 PolarHBondContact O-N 3.16Å; A855-S859 WeakPolarHBondContact O-CB 3.27Å; A855-S859 PolarHBondContact O-N 2.86Å; A855-S859 PolarHBondContact O-OG 3.18Å; A855-R880 HydrophobicContact CB-CG 3.83Å
856A74.8Confident73.3Confident59 Ų5963 Ų6349%0.48833%0.33SS..Hα-helixtrans-66.1-43172.700000111E852 E853 E854 S859 E860E852-A856 PolarHBondContact O-N 3.5Å; E853-A856 WeakPolarHBondContact O-CB 3.09Å; E853-A856 PolarHBondContact O-N 2.85Å; E853-A856 VanDerWaalsContact O-N 3.15Å; E854-A856 VanDerWaalsContact C-N 3.31Å; E854-A856 PolarHBondContact O-N 2.83Å; A856-S859 WeakPolarHBondContact O-CB 3.38Å; A856-S859 PolarHBondContact O-N 2.88Å; A856-S859 VanDerWaalsContact O-N 3.16Å; A856-E860 PolarHBondContact O-N 2.9Å
857K73.8Confident72.9Confident105 Ų10568.2 Ų68.246%0.45735%0.354SS..Hα-helixtrans-60.2-49.3175.2-170.1-176.7174.8-164.70111.9E853 E854 S859 E860 D861E853-K857 PolarHBondContact O-N 3.06Å; E854-K857 PolarHBondContact O-N 3Å; K857-S859 PolarHBondContact O-N 2.83Å; K857-E860 WeakPolarHBondContact O-CA 3.15Å; K857-E860 WeakPolarHBondContact O-CB 3.34Å; K857-E860 PolarHBondContact O-N 3.41Å; K857-D861 PolarHBondContact O-N 2.6Å
858L72.3Confident72.1Confident53 Ų5368 Ų6828%0.27735%0.353SS..Hα-helixtrans-58.5-35.6174.4-72.3176.8000112.3F847 A849 E854 C862F847-L858 HydrophobicContact CB-CD1 4.33Å; F847-L858 HydrophobicContact CB-CD2 4.08Å; A849-L858 HydrophobicContact CB-CD1 3.7Å; E854-L858 WeakPolarHBondContact O-CG 2.93Å; E854-L858 PolarHBondContact O-N 2.82Å; L858-C862 VanDerWaalsContact O-CB 3.3Å; L858-C862 WeakPolarHBondContact O-CB 3.49Å; L858-C862 PolarHBondContact O-N 2.84Å
859S71Confident70.9Confident62 Ų6266.8 Ų66.843%0.43435%0.347SS..Hα-helixtrans-69.4-33.8175.8-61.90000112.4A855 A856 K857 K863A855-S859 WeakPolarHBondContact O-CB 3.27Å; A855-S859 PolarHBondContact O-N 2.86Å; A855-S859 PolarHBondContact O-OG 3.18Å; A856-S859 WeakPolarHBondContact O-CB 3.38Å; A856-S859 PolarHBondContact O-N 2.88Å; A856-S859 VanDerWaalsContact O-N 3.16Å; K857-S859 PolarHBondContact O-N 2.83Å; S859-K863 PolarHBondContact O-N 3.28Å
860E71.8Confident69.4Low133 Ų13373 Ų7362%0.62137%0.374SS*.Hα-helixtrans-71.3-44.5173.7-172.3169.9-160.500111.6A856 K857 C862 K863 C864A856-E860 PolarHBondContact O-N 2.9Å; K857-E860 WeakPolarHBondContact O-CA 3.15Å; K857-E860 WeakPolarHBondContact O-CB 3.34Å; K857-E860 PolarHBondContact O-N 3.41Å; E860-C862 PolarHBondContact O-N 2.91Å; E860-K863 WeakPolarHBondContact O-CA 3.41Å; E860-K863 WeakPolarHBondContact O-CB 3.44Å; E860-K863 PolarHBondContact O-N 3.46Å; E860-C864 PolarHBondContact O-N 2.72Å; E860-C864 VanDerWaalsContact O-N 3.15Å
861D70.6Confident67.9Low30 Ų3073.9 Ų73.916%0.1637%0.369CS..Hα-helixtrans-58.1-41.4173.6-66.4-29.4000110.6S806 K857 K863 C864 Q865S806-D861 WeakPolarHBondContact CB-OD1 3.49Å; K857-D861 PolarHBondContact O-N 2.6Å; D861-K863 VanDerWaalsContact C-N 3.28Å; D861-K863 PolarHBondContact O-N 3.46Å; D861-C864 WeakPolarHBondContact O-CB 3.27Å; D861-C864 PolarHBondContact O-N 3.02Å; D861-C864 VanDerWaalsContact O-N 3.16Å; D861-Q865 VanDerWaalsContact O-CD 3.31Å; D861-Q865 WeakPolarHBondContact O-CG 3.37Å; D861-Q865 PolarHBondContact O-N 3Å; D861-Q865 PolarHBondContact O-NE2 3.23Å
862C68.5Low66.1Low6 Ų680.4 Ų80.44%0.04140%0.395CS..Hα-helixtrans-60.7-35.4174.9-168.70000112.5L858 E860 Q865 T866 L875L858-C862 VanDerWaalsContact O-CB 3.3Å; L858-C862 WeakPolarHBondContact O-CB 3.49Å; L858-C862 PolarHBondContact O-N 2.84Å; E860-C862 PolarHBondContact O-N 2.91Å; C862-Q865 PolarHBondContact O-N 3.5Å; C862-T866 WeakPolarHBondContact O-CB 3.43Å; C862-T866 PolarHBondContact O-N 3.08Å; C862-T866 PolarHBondContact O-OG1 3.46Å; C862-L875 HydrophobicContact CB-CD1 4.44Å; C862-L875 VanDerWaalsContact SG-CD1 3.51Å
863K68.3Low64.3Low149 Ų14974.9 Ų74.965%0.64837%0.37SS*.Hα-helixtrans-64.4-46.3173.9-69.4172.9-175.3171.20111.3S859 E860 D861 Q865 T866 E867S859-K863 PolarHBondContact O-N 3.28Å; E860-K863 WeakPolarHBondContact O-CA 3.41Å; E860-K863 WeakPolarHBondContact O-CB 3.44Å; E860-K863 PolarHBondContact O-N 3.46Å; D861-K863 VanDerWaalsContact C-N 3.28Å; D861-K863 PolarHBondContact O-N 3.46Å; K863-Q865 VanDerWaalsContact C-N 3.28Å; K863-Q865 PolarHBondContact O-N 3.47Å; K863-T866 PolarHBondContact O-N 3.45Å; K863-E867 WeakPolarHBondContact O-CB 3.29Å; K863-E867 PolarHBondContact O-N 3.42Å
864C66.6Low62.5Low24 Ų2475.9 Ų75.916%0.16237%0.372CS..Hα-helixtrans-55-47.5174.7-175.90000110.3E860 D861 T866 E867 F868E860-C864 PolarHBondContact O-N 2.72Å; E860-C864 VanDerWaalsContact O-N 3.15Å; D861-C864 WeakPolarHBondContact O-CB 3.27Å; D861-C864 PolarHBondContact O-N 3.02Å; D861-C864 VanDerWaalsContact O-N 3.16Å; C864-T866 PolarHBondContact O-N 3.39Å; C864-E867 PolarHBondContact O-N 2.84Å; C864-F868 WeakPolarHBondContact O-CD2 3.13Å; C864-F868 PolarHBondContact O-N 3.42Å
865Q66.6Low60.7Low9 Ų976.7 Ų76.74%0.04238%0.378CS..Hα-helixtrans-61.4-43.5177.7-63.4157.127.600112.5Q803 Q804 V811 D861 C862 K863 E867 F868 A869 I873Q803-Q865 WeakPolarHBondContact O-CG 3.3Å; Q804-Q865 VanDerWaalsContact CA-CD 3.5Å; Q804-Q865 VanDerWaalsContact CA-NE2 3.27Å; V811-Q865 HydrophobicContact CG2-CG 4.4Å; D861-Q865 VanDerWaalsContact O-CD 3.31Å; D861-Q865 WeakPolarHBondContact O-CG 3.37Å; D861-Q865 PolarHBondContact O-N 3Å; D861-Q865 PolarHBondContact O-NE2 3.23Å; C862-Q865 PolarHBondContact O-N 3.5Å; K863-Q865 VanDerWaalsContact C-N 3.28Å; K863-Q865 PolarHBondContact O-N 3.47Å; Q865-E867 VanDerWaalsContact C-N 3.31Å; Q865-E867 PolarHBondContact O-N 3.11Å; Q865-F868 PolarHBondContact O-N 2.92Å; Q865-A869 WeakPolarHBondContact O-CA 3.2Å; Q865-A869 WeakPolarHBondContact O-CB 3.34Å; Q865-A869 PolarHBondContact O-N 2.95Å; Q865-I873 HydrophobicContact CB-CD1 4.42Å
866T65.8Low59Low58 Ų5883.4 Ų83.436%0.35640%0.404SS..Hα-helixtrans-71.2-28.6-179.7-39.50000112.1C862 K863 C864C862-T866 WeakPolarHBondContact O-CB 3.43Å; C862-T866 PolarHBondContact O-N 3.08Å; C862-T866 PolarHBondContact O-OG1 3.46Å; K863-T866 PolarHBondContact O-N 3.45Å; C864-T866 PolarHBondContact O-N 3.39Å
867E68.7Low57.3Low133 Ų13387.9 Ų87.962%0.62142%0.419SS*.Hα-helixtrans-73.2-39.7175.7-170.5173.3-176.600111.3H700 K863 C864 Q865H700-E867 PolarHBondContact NE2-O 3.44Å; K863-E867 WeakPolarHBondContact O-CB 3.29Å; K863-E867 PolarHBondContact O-N 3.42Å; C864-E867 PolarHBondContact O-N 2.84Å; Q865-E867 VanDerWaalsContact C-N 3.31Å; Q865-E867 PolarHBondContact O-N 3.11Å
868F63Low55.5Low41 Ų4188.8 Ų88.818%0.1843%0.428CS..Hα-helixtrans-94-28.2-177.6-68.3-68.6000114.8P701 Y702 P808 V811 C864 Q865P701-F868 HydrophobicContact CB-CD1 4.37Å; P701-F868 HydrophobicContact CG-CD1 3.94Å; P701-F868 HydrophobicContact CG-CE1 3.8Å; Y702-F868 WeakPolarHBondContact CB-O 3.44Å; P808-F868 HydrophobicContact CB-CD1 4.48Å; P808-F868 HydrophobicContact CB-CD2 3.86Å; P808-F868 HydrophobicContact CB-CE1 4.31Å; P808-F868 HydrophobicContact CB-CE2 3.7Å; P808-F868 HydrophobicContact CB-CG 4.28Å; P808-F868 HydrophobicContact CB-CZ 3.93Å; P808-F868 HydrophobicContact CG-CD2 4.07Å; P808-F868 HydrophobicContact CG-CE2 3.54Å; P808-F868 HydrophobicContact CG-CZ 3.95Å; V811-F868 HydrophobicContact CG1-CB 4.39Å; C864-F868 WeakPolarHBondContact O-CD2 3.13Å; C864-F868 PolarHBondContact O-N 3.42Å; Q865-F868 PolarHBondContact O-N 2.92Å
869A53.6Low53.9Low6 Ų690.2 Ų90.25%0.0545%0.447CS..SBendtrans-94131.717500000109.9L815 Q865 F871L815-A869 HydrophobicContact CD1-CB 4.17Å; Q865-A869 WeakPolarHBondContact O-CA 3.2Å; Q865-A869 WeakPolarHBondContact O-CB 3.34Å; Q865-A869 PolarHBondContact O-N 2.95Å; A869-F871 PolarHBondContact O-N 3.39Å
870F46.2Very low52.2Low134 Ų13492 Ų9259%0.58844%0.444SS*.SBendtrans-74.327.4-174-142.9-94.5000114.6Y702Y702-F870 HydrophobicContact CD1-CB 3.99Å; Y702-F870 HydrophobicContact CD1-CD2 4.2Å; Y702-F870 HydrophobicContact CD1-CG 4.42Å; Y702-F870 HydrophobicContact CE1-CB 3.78Å; Y702-F870 HydrophobicContact CE1-CG 4.34Å
871F43.7Very low50.6Low82 Ų8288.8 Ų88.836%0.3643%0.431SS..SBendtrans-121.5134-175.1-76.4-81.8000113.2A869 I873 E886A869-F871 PolarHBondContact O-N 3.39Å; F871-I873 VanDerWaalsContact C-N 3.26Å; F871-I873 PolarHBondContact O-N 2.93Å; F871-E886 WeakPolarHBondContact CE1-OE1 3.42Å; F871-E886 WeakPolarHBondContact CZ-OE1 3.39Å
872K40.7Very low49.3Very low201 Ų20188 Ų8887%0.87443%0.429SS*.  trans-66.386.3166-73.4-179.3177.41780108.4K874K872-K874 PolarHBondContact O-N 3.48Å
873I39.6Very low48.1Very low46 Ų4690.9 Ų90.924%0.23645%0.449CS..  trans-58.2109162-60.6174000105.7Q865 F871 L875Q865-I873 HydrophobicContact CB-CD1 4.42Å; F871-I873 VanDerWaalsContact C-N 3.26Å; F871-I873 PolarHBondContact O-N 2.93Å; I873-L875 PolarHBondContact O-N 3.03Å
874K39Very low47.3Very low185 Ų18584.6 Ų84.680%0.80443%0.427SS*.  trans-72.788.6168.8-84.2-174.4178.3177.30106.6K872 K876K872-K874 PolarHBondContact O-N 3.48Å; K874-K876 VanDerWaalsContact C-N 3.3Å; K874-K876 PolarHBondContact O-N 2.6Å
875L37.2Very low46.9Very low81 Ų8184.3 Ų84.342%0.42443%0.425SS..  trans-59.694.1166.2-113.3146000108C862 I873 I877C862-L875 HydrophobicContact CB-CD1 4.44Å; C862-L875 VanDerWaalsContact SG-CD1 3.51Å; I873-L875 PolarHBondContact O-N 3.03Å; L875-I877 HydrophobicContact CD2-CG1 4.33Å; L875-I877 PolarHBondContact O-N 3.37Å
876K36.9Very low46.8Very low154 Ų15488.5 Ų88.567%0.6745%0.445SS*.  trans-77.7105.1158.1-89.1-173.7174.3-177.90105.7K874 L878K874-K876 VanDerWaalsContact C-N 3.3Å; K874-K876 PolarHBondContact O-N 2.6Å; K876-L878 HydrophobicContact CD-CD1 4.42Å; K876-L878 PolarHBondContact O-N 2.91Å
877I39.2Very low47.2Very low153 Ų15385.9 Ų85.979%0.78543%0.428SS*.  trans-70.854.4172.8-50.1170.1000109.1L875L875-I877 HydrophobicContact CD2-CG1 4.33Å; L875-I877 PolarHBondContact O-N 3.37Å
878L37.4Very low47.8Very low124 Ų12479.8 Ų79.865%0.64940%0.4SS*.SBendtrans-9975.2169.1-93.3155.9000106.2K876 L881K876-L878 HydrophobicContact CD-CD1 4.42Å; K876-L878 PolarHBondContact O-N 2.91Å; L878-L881 HydrophobicContact CB-CD1 4.11Å; L878-L881 WeakPolarHBondContact O-CD1 3.48Å
879A36.6Very low48.8Very low83 Ų8377.8 Ų77.869%0.68639%0.391SS*.SBendtrans54.986.3-179.200000114L881A879-L881 PolarHBondContact O-N 3.43Å
880R36Very low50.4Low99 Ų9978.1 Ų78.137%0.37439%0.392SS..SBendtrans58.654.4158.8-54.3172.2175.8-175.31.7114.6A849 S850 N851 A855A849-R880 PolarHBondContact O-NH1 2.75Å; S850-R880 VanDerWaalsContact C-NH1 3.27Å; S850-R880 PolarHBondContact O-NH1 3.01Å; S850-R880 VanDerWaalsContact O-NH1 3.15Å; N851-R880 PolarHBondContact O-NH1 2.84Å; N851-R880 PolarHBondContact O-NH2 3.32Å; A855-R880 HydrophobicContact CB-CG 3.83Å
881L38.4Very low52.3Low66 Ų6672.3 Ų72.335%0.34637%0.367SS..  trans-118135.3-179.6-82.8150.4000111.9L846 L878 A879L846-L881 HydrophobicContact CD1-CB 4.4Å; L846-L881 HydrophobicContact CD1-CD2 3.34Å; L846-L881 HydrophobicContact CD1-CG 3.98Å; L846-L881 HydrophobicContact CD2-CD2 3.83Å; L846-L881 HydrophobicContact CG-CD2 4.17Å; L878-L881 HydrophobicContact CB-CD1 4.11Å; L878-L881 WeakPolarHBondContact O-CD1 3.48Å; A879-L881 PolarHBondContact O-N 3.43Å
882A43.1Very low54.3Low14 Ų1471.4 Ų71.412%0.11637%0.366CS..  trans-112.4129.615200000107.7
883S44.4Very low56.5Low67 Ų6762.6 Ų62.647%0.46933%0.328SS..PPolyproline II helixtrans-101.1118.9179.2174.30000108.4
884G51.3Low58.8Low17 Ų1766.9 Ų66.918%0.17534%0.342CS..PPolyproline II helixtrans-53.7162.2-174.500000117.4N844 E888N844-G884 WeakPolarHBondContact OD1-CA 3.27Å; N844-G884 PolarHBondContact OD1-O 3.49Å; G884-E888 WeakPolarHBondContact CA-OE2 3.12Å
885S58.5Low61.1Low17 Ų1759.6 Ų59.612%0.11931%0.31CS..PPolyproline II helixtrans-88.7159.6174.5167.50000110.3N887 E888S885-N887 PolarHBondContact O-N 3.32Å; S885-N887 WeakPolarHBondContact OG-CB 3.3Å; S885-N887 PolarHBondContact OG-N 3.42Å; S885-N887 VanDerWaalsContact OG-N 3.11Å; S885-N887 PolarHBondContact OG-ND2 3.31Å; S885-E888 PolarHBondContact O-N 3.37Å
886E63.5Low63.7Low98 Ų9855.8 Ų55.846%0.45829%0.29SS..THydrogen-bonded Turntrans-52.4-16.4163.568.7-87.7-139.100114.1F871F871-E886 WeakPolarHBondContact CE1-OE1 3.42Å; F871-E886 WeakPolarHBondContact CZ-OE1 3.39Å
887N74.1Confident66.3Low3 Ų348.5 Ų48.52%0.01626%0.259CS..THydrogen-bonded Turntrans-87.3-9.3175.6-62.8-50.9000113.5L801 A818 R822 S885L801-N887 WeakPolarHBondContact CD2-O 3.36Å; L801-N887 WeakPolarHBondContact CG-O 3.29Å; A818-N887 HydrophobicContact CB-CB 3.84Å; R822-N887 PolarHBondContact NH2-OD1 2.76Å; S885-N887 PolarHBondContact O-N 3.32Å; S885-N887 WeakPolarHBondContact OG-CB 3.3Å; S885-N887 PolarHBondContact OG-N 3.42Å; S885-N887 VanDerWaalsContact OG-N 3.11Å; S885-N887 PolarHBondContact OG-ND2 3.31Å
888E80.7Confident68.7Low4 Ų441.9 Ų41.92%0.01923%0.226CC..  trans-93.3143.1175.3-59.1-165.315000110.6L801 Q803 F840 P842 M843 A845 G884 S885L801-E888 CarbonylContact O-C 3.49Å; L801-E888 WeakPolarHBondContact O-CA 3.4Å; L801-E888 WeakPolarHBondContact O-CB 3.37Å; Q803-E888 HydrophobicContact CG-CG 4.43Å; Q803-E888 PolarHBondContact N-OE1 2.94Å; F840-E888 WeakPolarHBondContact CZ-O 3.24Å; P842-E888 WeakPolarHBondContact CA-O 3.37Å; M843-E888 PolarHBondContact N-O 3.32Å; M843-E888 CarbonylContact O-C 3.56Å; A845-E888 PolarHBondContact N-OE2 2.89Å; G884-E888 WeakPolarHBondContact CA-OE2 3.12Å; S885-E888 PolarHBondContact O-N 3.37Å
889G84.9Confident71.2Confident0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans165.9-169-179.400000114.1G800 L801 T841 M843G800-G889 CarbonylContact C-O 3.45Å; G800-G889 VanDerWaalsContact CA-O 3.3Å; G800-G889 WeakPolarHBondContact CA-O 3.33Å; L801-G889 PolarHBondContact N-O 3Å; L801-G889 PolarHBondContact O-N 2.92Å; T841-G889 VanDerWaalsContact O-CA 3.23Å; T841-G889 WeakPolarHBondContact O-CA 3.27Å; M843-G889 PolarHBondContact O-N 3.27Å
890V86.9Confident73.9Confident12 Ų1232.1 Ų32.17%0.07316%0.163CC..EExtended strand (participates in β ladder)trans-121.2142.9180-63.70000109.7G799 T841 M843 Y1017G799-V890 WeakPolarHBondContact O-CG1 3.44Å; T841-V890 PolarHBondContact N-O 3.4Å; T841-V890 PolarHBondContact O-N 2.98Å; M843-V890 HydrophobicContact CE-CG2 4.41Å; M843-V890 HydrophobicContact SD-CG1 4.44Å; V890-Y1017 HydrophobicContact CG1-CD2 4.14Å; V890-Y1017 HydrophobicContact CG1-CE2 4.14Å
891F85.5Confident76.5Confident13 Ų1330 Ų306%0.05716%0.155CC..EExtended strand (participates in β ladder)trans-136.4160.9177.257.1-89.3000111.7L801 L821 K839 F840 N893 L896 L1121L801-F891 HydrophobicContact CB-CE1 4.24Å; L821-F891 HydrophobicContact CD1-CD1 3.79Å; L821-F891 HydrophobicContact CD1-CE1 3.96Å; L821-F891 HydrophobicContact CD1-CG 4.18Å; L821-F891 HydrophobicContact CD1-CZ 4.47Å; K839-F891 WeakPolarHBondContact O-CA 3.48Å; K839-F891 WeakPolarHBondContact O-CB 3.45Å; F840-F891 HydrophobicContact CD2-CB 4.12Å; F840-F891 HydrophobicContact CD2-CD1 4.21Å; F840-F891 HydrophobicContact CE2-CD1 4.49Å; F891-N893 PolarHBondContact O-N 2.86Å; F891-N893 PolarHBondContact O-OD1 3.15Å; F891-L896 HydrophobicContact CD2-CD2 4.07Å; F891-L896 HydrophobicContact CE2-CD2 3.55Å; F891-L896 HydrophobicContact CZ-CD2 4.28Å; F891-L1121 HydrophobicContact CE2-CB 4.38Å; F891-L1121 HydrophobicContact CZ-CB 3.93Å
892D86.4Confident78.9Confident62 Ų6230.8 Ų30.833%0.33216%0.157SC..  trans-78.6111.7176.8-173.5-46.3000110.7K839 W894 Q895 L896K839-D892 PolarHBondContact O-N 3.39Å; D892-W894 VanDerWaalsContact C-N 3.32Å; D892-W894 PolarHBondContact O-N 3.08Å; D892-W894 WeakPolarHBondContact OD1-CA 3.38Å; D892-W894 WeakPolarHBondContact OD1-CB 3.31Å; D892-W894 PolarHBondContact OD1-N 2.96Å; D892-Q895 HydrophobicContact CB-CB 4.05Å; D892-Q895 HydrophobicContact CB-CG 3.98Å; D892-Q895 VanDerWaalsContact CB-OE1 3.31Å; D892-Q895 VanDerWaalsContact CG-CD 3.47Å; D892-Q895 PolarHBondContact O-N 2.86Å; D892-Q895 PolarHBondContact OD1-N 3.26Å; D892-Q895 PolarHBondContact OD2-NE2 2.93Å; D892-L896 PolarHBondContact O-N 2.99Å
893N87.2Confident81.1Confident16 Ų1631 Ų319%0.08616%0.155CC..Hα-helixtrans-64.3-37.3-176.6-54.5-21.6000112.5T794 A797 G799 F891 L897 L1121T794-N893 WeakPolarHBondContact O-CB 3.42Å; T794-N893 PolarHBondContact O-ND2 2.78Å; T794-N893 VanDerWaalsContact O-ND2 3.17Å; A797-N893 PolarHBondContact O-ND2 3.46Å; G799-N893 WeakPolarHBondContact CA-OD1 3.39Å; F891-N893 PolarHBondContact O-N 2.86Å; F891-N893 PolarHBondContact O-OD1 3.15Å; N893-L897 VanDerWaalsContact O-CB 3.29Å; N893-L897 WeakPolarHBondContact O-CB 3.34Å; N893-L897 PolarHBondContact O-N 3.01Å; N893-L1121 HydrophobicContact CB-CD2 3.85Å; N893-L1121 VanDerWaalsContact CG-CD1 3.47Å; N893-L1121 WeakPolarHBondContact ND2-CD1 3.44Å; N893-L1121 WeakPolarHBondContact OD1-CD1 3.2Å
894W87.1Confident83.4Confident137 Ų13727.8 Ų27.852%0.51913%0.133SC..Hα-helixtrans-69.8-42.3-178.6169.8-115.7000110.9L789 L795 D892 L897 S898L789-W894 HydrophobicContact CD1-CZ3 4.17Å; L795-W894 HydrophobicContact CD1-CE3 4.3Å; L795-W894 HydrophobicContact CD1-CZ3 4.48Å; L795-W894 HydrophobicContact CD2-CB 3.76Å; L795-W894 HydrophobicContact CD2-CD2 4.28Å; L795-W894 HydrophobicContact CD2-CE3 3.7Å; L795-W894 HydrophobicContact CD2-CG 4.38Å; D892-W894 VanDerWaalsContact C-N 3.32Å; D892-W894 PolarHBondContact O-N 3.08Å; D892-W894 WeakPolarHBondContact OD1-CA 3.38Å; D892-W894 WeakPolarHBondContact OD1-CB 3.31Å; D892-W894 PolarHBondContact OD1-N 2.96Å; W894-L897 PolarHBondContact O-N 3.27Å; W894-S898 VanDerWaalsContact CD2-OG 3.31Å; W894-S898 VanDerWaalsContact CE2-OG 3.26Å; W894-S898 WeakPolarHBondContact O-CB 3.39Å; W894-S898 PolarHBondContact O-N 3.16Å; W894-S898 PolarHBondContact O-OG 3.48Å
895Q88.4Confident85.2Confident32 Ų3230 Ų3015%0.1514%0.143CC..Hα-helixtrans-62.1-45.3176.7-70.8170.3-2.400111.4P837 K839 D892 S898 A899P837-Q895 PolarHBondContact O-OE1 3.3Å; K839-Q895 VanDerWaalsContact N-OE1 3.12Å; D892-Q895 HydrophobicContact CB-CB 4.05Å; D892-Q895 HydrophobicContact CB-CG 3.98Å; D892-Q895 VanDerWaalsContact CB-OE1 3.31Å; D892-Q895 VanDerWaalsContact CG-CD 3.47Å; D892-Q895 PolarHBondContact O-N 2.86Å; D892-Q895 PolarHBondContact OD1-N 3.26Å; D892-Q895 PolarHBondContact OD2-NE2 2.93Å; Q895-S898 PolarHBondContact O-N 3.25Å; Q895-A899 WeakPolarHBondContact O-CB 3.41Å; Q895-A899 PolarHBondContact O-N 2.86Å
896L90.5Very high86.4Confident1 Ų132.8 Ų32.81%0.00516%0.159CC..Hα-helixtrans-62.1-49.4176.717961.9000111.5L760 F820 L821 L828 I838 F891 D892 S898 A899 I900 L1125L760-L896 HydrophobicContact CD1-CD2 4.11Å; L760-L896 HydrophobicContact CD1-CG 4.12Å; L760-L896 HydrophobicContact CD2-CD2 4.1Å; F820-L896 HydrophobicContact CE1-CD1 4.47Å; L821-L896 HydrophobicContact CD2-CD1 3.69Å; L821-L896 HydrophobicContact CD2-CD2 4.02Å; L821-L896 HydrophobicContact CD2-CG 4.44Å; L828-L896 HydrophobicContact CD1-CD1 4.46Å; I838-L896 HydrophobicContact CD1-CD1 3.96Å; F891-L896 HydrophobicContact CD2-CD2 4.07Å; F891-L896 HydrophobicContact CE2-CD2 3.55Å; F891-L896 HydrophobicContact CZ-CD2 4.28Å; D892-L896 PolarHBondContact O-N 2.99Å; L896-S898 PolarHBondContact O-N 2.7Å; L896-A899 PolarHBondContact O-N 3.46Å; L896-I900 HydrophobicContact CD1-CD1 3.86Å; L896-I900 HydrophobicContact CD1-CG1 4.38Å; L896-I900 HydrophobicContact CG-CD1 3.93Å; L896-I900 WeakPolarHBondContact O-CG1 3.33Å; L896-I900 PolarHBondContact O-N 3.06Å; L896-L1125 HydrophobicContact CD2-CD1 4.41Å
897L91.6Very high87.5Confident0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-60.9-45.6179179.162000111.3L789 T794 N893 W894 I900 R901L789-L897 HydrophobicContact CD1-CD2 3.71Å; T794-L897 HydrophobicContact CG2-CB 4.44Å; T794-L897 HydrophobicContact CG2-CD2 3.98Å; N893-L897 VanDerWaalsContact O-CB 3.29Å; N893-L897 WeakPolarHBondContact O-CB 3.34Å; N893-L897 PolarHBondContact O-N 3.01Å; W894-L897 PolarHBondContact O-N 3.27Å; L897-I900 PolarHBondContact O-N 2.64Å; L897-R901 HydrophobicContact CD1-CG 4.05Å; L897-R901 HydrophobicContact CG-CG 4.29Å; L897-R901 WeakPolarHBondContact O-CB 3.45Å; L897-R901 VanDerWaalsContact O-CG 3.24Å; L897-R901 WeakPolarHBondContact O-CG 3.43Å; L897-R901 PolarHBondContact O-N 3.33Å
898S89.4Confident88.1Confident15 Ų1529.8 Ų29.811%0.10515%0.152CC..Hα-helixtrans-60.6-47.4179.4-61.90000111.2W894 Q895 L896 I900 R901 E902W894-S898 VanDerWaalsContact CD2-OG 3.31Å; W894-S898 VanDerWaalsContact CE2-OG 3.26Å; W894-S898 WeakPolarHBondContact O-CB 3.39Å; W894-S898 PolarHBondContact O-N 3.16Å; W894-S898 PolarHBondContact O-OG 3.48Å; Q895-S898 PolarHBondContact O-N 3.25Å; L896-S898 PolarHBondContact O-N 2.7Å; S898-I900 VanDerWaalsContact C-N 3.34Å; S898-I900 PolarHBondContact O-N 3.37Å; S898-R901 PolarHBondContact O-N 2.87Å; S898-R901 VanDerWaalsContact O-N 3.17Å; S898-E902 WeakPolarHBondContact O-CB 3.28Å; S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 2.92Å
899A90.5Very high88.5Confident1 Ų129.8 Ų29.81%0.00815%0.152CC..Hα-helixtrans-60.3-42.2177.800000112.3L828 P836 I838 Q895 L896 K903L828-A899 HydrophobicContact CD1-CB 3.72Å; P836-A899 HydrophobicContact CB-CB 4.36Å; P836-A899 HydrophobicContact CG-CB 3.94Å; I838-A899 HydrophobicContact CD1-CB 4.11Å; I838-A899 HydrophobicContact CG1-CB 4.48Å; Q895-A899 WeakPolarHBondContact O-CB 3.41Å; Q895-A899 PolarHBondContact O-N 2.86Å; L896-A899 PolarHBondContact O-N 3.46Å; A899-K903 VanDerWaalsContact O-CB 3.27Å; A899-K903 WeakPolarHBondContact O-CB 3.49Å; A899-K903 PolarHBondContact O-N 3.29Å
900I93.1Very high88.7Confident0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-66.6-41.6176.1-65.9164000111L760 L828 L896 L897 S898 K903 N904 L1125L760-I900 HydrophobicContact CD1-CD1 3.44Å; L760-I900 VanDerWaalsContact CD1-CD1 3.44Å; L828-I900 HydrophobicContact CD1-CG1 3.78Å; L828-I900 HydrophobicContact CD2-CB 4.48Å; L828-I900 HydrophobicContact CD2-CG1 3.83Å; L828-I900 HydrophobicContact CG-CG1 4.47Å; L896-I900 HydrophobicContact CD1-CD1 3.86Å; L896-I900 HydrophobicContact CD1-CG1 4.38Å; L896-I900 HydrophobicContact CG-CD1 3.93Å; L896-I900 WeakPolarHBondContact O-CG1 3.33Å; L896-I900 PolarHBondContact O-N 3.06Å; L897-I900 PolarHBondContact O-N 2.64Å; S898-I900 VanDerWaalsContact C-N 3.34Å; S898-I900 PolarHBondContact O-N 3.37Å; I900-K903 PolarHBondContact O-N 2.92Å; I900-N904 VanDerWaalsContact O-CB 3.3Å; I900-N904 WeakPolarHBondContact O-CB 3.46Å; I900-N904 PolarHBondContact O-N 3.32Å; I900-N904 PolarHBondContact O-ND2 3.24Å; I900-L1125 HydrophobicContact CD1-CD2 3.86Å
901R91.8Very high88.9Confident56 Ų5635.4 Ų35.421%0.21118%0.176CC..Hα-helixtrans-66-47.6179.9-74.2176.369.6102.8-0.1111.8G758 S763 L897 S898 K903 N904 V905 Y911G758-R901 PolarHBondContact O-NH1 2.9Å; S763-R901 WeakPolarHBondContact OG-CG 3.43Å; L897-R901 HydrophobicContact CD1-CG 4.05Å; L897-R901 HydrophobicContact CG-CG 4.29Å; L897-R901 WeakPolarHBondContact O-CB 3.45Å; L897-R901 VanDerWaalsContact O-CG 3.24Å; L897-R901 WeakPolarHBondContact O-CG 3.43Å; L897-R901 PolarHBondContact O-N 3.33Å; S898-R901 PolarHBondContact O-N 2.87Å; S898-R901 VanDerWaalsContact O-N 3.17Å; R901-K903 VanDerWaalsContact C-N 3.26Å; R901-K903 PolarHBondContact O-N 3.26Å; R901-N904 WeakPolarHBondContact O-CB 3.37Å; R901-N904 PolarHBondContact O-N 2.8Å; R901-N904 VanDerWaalsContact O-N 3.15Å; R901-V905 WeakPolarHBondContact O-CG2 3.17Å; R901-V905 PolarHBondContact O-N 2.88Å; R901-Y911 HydrophobicContact CG-CE1 4.12Å; R901-Y911 VanDerWaalsContact CZ-CD1 3.49Å; R901-Y911 VanDerWaalsContact NH1-CE1 3.31Å
902E89Confident89.1Confident82 Ų8235.6 Ų35.638%0.38318%0.177SC..Hα-helixtrans-56.1-46173.1-73.4176.5-168.400110.5I830 S898 N904 V905 T906I830-E902 HydrophobicContact CD1-CB 3.75Å; S898-E902 WeakPolarHBondContact O-CB 3.28Å; S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 2.92Å; E902-N904 VanDerWaalsContact C-N 3.33Å; E902-N904 PolarHBondContact O-N 3.39Å; E902-V905 PolarHBondContact O-N 2.75Å; E902-T906 WeakPolarHBondContact O-CG2 3.47Å; E902-T906 PolarHBondContact O-N 3.01Å
903K89.2Confident89.2Confident17 Ų1738.3 Ų38.37%0.07419%0.186CC..Hα-helixtrans-60.3-44.4177.4-177.956.5178.4176.30112Y767 L828 K829 I830 A899 I900 R901 V905 T906 L907Y767-K903 HydrophobicContact CD2-CG 3.98Å; Y767-K903 HydrophobicContact CE2-CG 3.77Å; L828-K903 HydrophobicContact CD2-CB 4.14Å; L828-K903 HydrophobicContact CD2-CG 4.17Å; K829-K903 PolarHBondContact O-NZ 2.92Å; I830-K903 HydrophobicContact CD1-CB 4.49Å; I830-K903 HydrophobicContact CG1-CD 3.93Å; A899-K903 VanDerWaalsContact O-CB 3.27Å; A899-K903 WeakPolarHBondContact O-CB 3.49Å; A899-K903 PolarHBondContact O-N 3.29Å; I900-K903 PolarHBondContact O-N 2.92Å; R901-K903 VanDerWaalsContact C-N 3.26Å; R901-K903 PolarHBondContact O-N 3.26Å; K903-V905 VanDerWaalsContact C-N 3.34Å; K903-V905 PolarHBondContact O-N 2.67Å; K903-T906 PolarHBondContact O-N 3.19Å; K903-T906 VanDerWaalsContact O-N 3.14Å; K903-T906 PolarHBondContact O-OG1 3.06Å; K903-L907 HydrophobicContact CG-CD1 4.31Å; K903-L907 WeakPolarHBondContact O-CG 3.37Å; K903-L907 PolarHBondContact O-N 3.26Å
904N92.4Very high89.3Confident0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-59.8-42.3178.9-81.4-25.2000112.6S763 Y767 I900 R901 E902 T906 L907 G908 V909 Y911S763-N904 PolarHBondContact O-ND2 3.45Å; Y767-N904 WeakPolarHBondContact CA-OD1 3.28Å; Y767-N904 VanDerWaalsContact CB-OD1 3.28Å; Y767-N904 WeakPolarHBondContact CB-OD1 3.3Å; Y767-N904 PolarHBondContact N-OD1 3.13Å; Y767-N904 VanDerWaalsContact N-OD1 3.17Å; I900-N904 VanDerWaalsContact O-CB 3.3Å; I900-N904 WeakPolarHBondContact O-CB 3.46Å; I900-N904 PolarHBondContact O-N 3.32Å; I900-N904 PolarHBondContact O-ND2 3.24Å; R901-N904 WeakPolarHBondContact O-CB 3.37Å; R901-N904 PolarHBondContact O-N 2.8Å; R901-N904 VanDerWaalsContact O-N 3.15Å; E902-N904 VanDerWaalsContact C-N 3.33Å; E902-N904 PolarHBondContact O-N 3.39Å; N904-T906 VanDerWaalsContact C-N 3.28Å; N904-T906 PolarHBondContact O-N 2.89Å; N904-L907 CarbonylContact O-C 3.57Å; N904-L907 WeakPolarHBondContact O-CA 3.24Å; N904-L907 PolarHBondContact O-N 3.45Å; N904-G908 PolarHBondContact O-N 3.18Å; N904-V909 HydrophobicContact CB-CB 3.87Å; N904-V909 HydrophobicContact CB-CG1 4.31Å; N904-V909 HydrophobicContact CB-CG2 3.87Å; N904-V909 WeakPolarHBondContact O-CB 3.38Å; N904-V909 WeakPolarHBondContact O-CG2 3.15Å; N904-V909 PolarHBondContact O-N 3.41Å; N904-Y911 HydrophobicContact CB-CE2 3.86Å; N904-Y911 PolarHBondContact ND2-OH 2.87Å
905V88.2Confident89.6Confident64 Ų6435.4 Ų35.439%0.38818%0.176SC..Hα-helixtrans-57.8-43.9175.1173.60000110.3I741 R901 E902 K903 L907 G908 Y911I741-V905 HydrophobicContact CD1-CG1 4.14Å; R901-V905 WeakPolarHBondContact O-CG2 3.17Å; R901-V905 PolarHBondContact O-N 2.88Å; E902-V905 PolarHBondContact O-N 2.75Å; K903-V905 VanDerWaalsContact C-N 3.34Å; K903-V905 PolarHBondContact O-N 2.67Å; V905-L907 PolarHBondContact O-N 2.9Å; V905-G908 PolarHBondContact O-N 3.22Å; V905-Y911 HydrophobicContact CG2-CD2 4.31Å
906T84.8Confident89.9Confident76 Ų7634.3 Ų34.347%0.46617%0.172SC..Hα-helixtrans-67-18.2176.873.40000114.6I830 E902 K903 N904 G908I830-T906 HydrophobicContact CD1-CG2 3.99Å; I830-T906 HydrophobicContact CG1-CG2 4.02Å; I830-T906 HydrophobicContact CG2-CG2 3.78Å; E902-T906 WeakPolarHBondContact O-CG2 3.47Å; E902-T906 PolarHBondContact O-N 3.01Å; K903-T906 PolarHBondContact O-N 3.19Å; K903-T906 VanDerWaalsContact O-N 3.14Å; K903-T906 PolarHBondContact O-OG1 3.06Å; N904-T906 VanDerWaalsContact C-N 3.28Å; N904-T906 PolarHBondContact O-N 2.89Å; T906-G908 VanDerWaalsContact C-N 3.35Å
907L86.8Confident90.1Very high13 Ų1336.9 Ų36.97%0.06819%0.188CC..THydrogen-bonded Turntrans-90.90.5175.5-64.3173000112.6Y767 K770 R774 K903 N904 V905Y767-L907 HydrophobicContact CD2-CD1 4.2Å; K770-L907 HydrophobicContact CB-CB 3.87Å; K770-L907 HydrophobicContact CB-CD1 4.1Å; K770-L907 VanDerWaalsContact CD-O 3.24Å; K770-L907 WeakPolarHBondContact CD-O 3.33Å; K770-L907 WeakPolarHBondContact CE-O 3.43Å; K770-L907 HydrophobicContact CG-CB 4.32Å; K770-L907 PolarHBondContact NZ-O 3.23Å; R774-L907 HydrophobicContact CG-CD2 4.39Å; K903-L907 HydrophobicContact CG-CD1 4.31Å; K903-L907 WeakPolarHBondContact O-CG 3.37Å; K903-L907 PolarHBondContact O-N 3.26Å; N904-L907 CarbonylContact O-C 3.57Å; N904-L907 WeakPolarHBondContact O-CA 3.24Å; N904-L907 PolarHBondContact O-N 3.45Å; V905-L907 PolarHBondContact O-N 2.9Å
908G85.1Confident90.2Very high24 Ų2437.5 Ų37.525%0.24720%0.195CC..THydrogen-bonded Turntrans81.931.6-178.100000113.6K770 N904 V905 T906K770-G908 WeakPolarHBondContact CE-O 3.39Å; N904-G908 PolarHBondContact O-N 3.18Å; V905-G908 PolarHBondContact O-N 3.22Å; T906-G908 VanDerWaalsContact C-N 3.35Å
909V90.6Very high90.4Very high4 Ų437.2 Ų37.22%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-87.6127.6169.2177.80000109.2A766 K770 L780 V782 N904 Y911A766-V909 HydrophobicContact CB-CG1 3.97Å; A766-V909 HydrophobicContact CB-CG2 4.11Å; K770-V909 HydrophobicContact CB-CG2 4.25Å; K770-V909 HydrophobicContact CG-CG2 3.69Å; L780-V909 HydrophobicContact CD2-CB 4.47Å; L780-V909 HydrophobicContact CD2-CG1 3.73Å; L780-V909 HydrophobicContact CD2-CG2 4.17Å; V782-V909 HydrophobicContact CG2-CG1 3.6Å; N904-V909 HydrophobicContact CB-CB 3.87Å; N904-V909 HydrophobicContact CB-CG1 4.31Å; N904-V909 HydrophobicContact CB-CG2 3.87Å; N904-V909 WeakPolarHBondContact O-CB 3.38Å; N904-V909 WeakPolarHBondContact O-CG2 3.15Å; N904-V909 PolarHBondContact O-N 3.41Å; V909-Y911 HydrophobicContact CB-CE2 4.38Å; V909-Y911 HydrophobicContact CG1-CD2 4.18Å; V909-Y911 HydrophobicContact CG1-CE2 3.77Å
910H89.3Confident90.5Very high82 Ų8240.4 Ų40.438%0.3821%0.206SC..EExtended strand (participates in β ladder)trans-98.8115.3-179.1-70.1-135000109.8E745 L780 I781 V782E745-H910 IonicContact OE2-CE1 3.54Å; E745-H910 PolarHBondContact OE2-CE1 2.67Å; E745-H910 IonicContact OE2-ND1 3.74Å; L780-H910 PolarHBondContact O-N 2.96Å; L780-H910 VanDerWaalsContact O-N 3.07Å; I781-H910 CarbonylContact C-O 3.57Å; I781-H910 VanDerWaalsContact CA-O 3.32Å; I781-H910 WeakPolarHBondContact CA-O 3.47Å; I781-H910 HydrophobicContact CG2-CB 4.28Å; V782-H910 PolarHBondContact N-O 2.76Å
911Y90.9Very high90Very high48 Ų4844.9 Ų44.919%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-87.9119173-75.7-96.8000109.7S763 V782 R901 N904 V905 V909S763-Y911 WeakPolarHBondContact CB-OH 3.25Å; S763-Y911 PolarHBondContact OG-OH 2.7Å; V782-Y911 HydrophobicContact CB-CD1 3.71Å; V782-Y911 HydrophobicContact CB-CE1 3.73Å; V782-Y911 HydrophobicContact CB-CG 4.26Å; V782-Y911 HydrophobicContact CG1-CD1 3.73Å; V782-Y911 HydrophobicContact CG1-CE1 3.55Å; V782-Y911 HydrophobicContact CG2-CD1 4.46Å; V782-Y911 HydrophobicContact CG2-CE1 4.08Å; V782-Y911 CarbonylContact O-C 3.38Å; V782-Y911 WeakPolarHBondContact O-CA 2.95Å; R901-Y911 HydrophobicContact CG-CE1 4.12Å; R901-Y911 VanDerWaalsContact CZ-CD1 3.49Å; R901-Y911 VanDerWaalsContact NH1-CE1 3.31Å; N904-Y911 HydrophobicContact CB-CE2 3.86Å; N904-Y911 PolarHBondContact ND2-OH 2.87Å; V905-Y911 HydrophobicContact CG2-CD2 4.31Å; V909-Y911 HydrophobicContact CB-CE2 4.38Å; V909-Y911 HydrophobicContact CG1-CD2 4.18Å; V909-Y911 HydrophobicContact CG1-CE2 3.77Å
912I88.9Confident89.2Confident18 Ų1845 Ų459%0.09223%0.228CC..EExtended strand (participates in β ladder)trans-108.4122.1-178.2-56.3177000108.1I747 P748 I781 V782 E784 A914 I948 I960I747-I912 HydrophobicContact CD1-CG2 4.49Å; I747-I912 HydrophobicContact CG2-CD1 4.4Å; P748-I912 HydrophobicContact CG-CD1 4.48Å; I781-I912 HydrophobicContact CB-CD1 3.93Å; I781-I912 HydrophobicContact CD1-CD1 4Å; I781-I912 HydrophobicContact CG2-CD1 3.98Å; V782-I912 PolarHBondContact O-N 3.16Å; E784-I912 PolarHBondContact N-O 2.88Å; I912-A914 HydrophobicContact CG2-CB 3.92Å; I912-A914 PolarHBondContact O-N 2.97Å; I912-I948 HydrophobicContact CG2-CD1 3.83Å; I912-I960 HydrophobicContact CD1-CD1 4.11Å
913K88.7Confident88.2Confident119 Ų11944.2 Ų44.252%0.51722%0.222SC..EExtended strand (participates in β ladder)trans-79.693.9173.7-63.8177.7178.2-173.90108.8E784 Q951E784-K913 CarbonylContact O-C 3.53Å; E784-K913 WeakPolarHBondContact O-CA 3.36Å; K913-Q951 HydrophobicContact CB-CB 4.44Å; K913-Q951 PolarHBondContact O-N 2.68Å
914A90.2Very high86.9Confident0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-156.5149-176.700000111.8I783 E784 N785 I912 I948 E949I783-A914 HydrophobicContact CG2-CB 4.18Å; I783-A914 VanDerWaalsContact CG2-O 3.24Å; I783-A914 WeakPolarHBondContact CG2-O 3.43Å; E784-A914 CarbonylContact C-O 3.5Å; E784-A914 PolarHBondContact O-N 3.16Å; N785-A914 WeakPolarHBondContact CA-O 3.48Å; N785-A914 PolarHBondContact N-O 3.31Å; I912-A914 HydrophobicContact CG2-CB 3.92Å; I912-A914 PolarHBondContact O-N 2.97Å; A914-I948 HydrophobicContact CB-CB 3.89Å; A914-I948 HydrophobicContact CB-CD1 3.72Å; A914-I948 HydrophobicContact CB-CG1 4.29Å; A914-E949 CarbonylContact C-O 3.46Å; A914-E949 VanDerWaalsContact CA-O 3.24Å; A914-E949 WeakPolarHBondContact CA-O 3.4Å; A914-E949 WeakPolarHBondContact CB-O 3.42Å
915K91.9Very high85.2Confident91 Ų9148.4 Ų48.440%0.39625%0.253SS..EExtended strand (participates in β ladder)trans-86.3131.7170.3-173.7175.5176.4-175.20109.3N785 T917 I948 E949N785-K915 WeakPolarHBondContact OD1-CA 3.38Å; N785-K915 WeakPolarHBondContact OD1-CB 3.45Å; N785-K915 WeakPolarHBondContact OD1-CG 3.35Å; K915-T917 HydrophobicContact CG-CG2 4.38Å; K915-T917 PolarHBondContact O-N 2.99Å; K915-I948 CarbonylContact O-C 3.5Å; K915-I948 VanDerWaalsContact O-CA 3.28Å; K915-I948 WeakPolarHBondContact O-CA 3.41Å; K915-E949 HydrophobicContact CB-CB 4.41Å; K915-E949 PolarHBondContact N-O 3.06Å; K915-E949 PolarHBondContact O-N 2.84Å
916V95.2Very high83.7Confident9 Ų953.2 Ų53.26%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-73.7125.7165.4176.40000107.9I756 I783 F919 V946 I948 M979I756-V916 HydrophobicContact CB-CG2 4.48Å; I756-V916 HydrophobicContact CD1-CG2 4.26Å; I756-V916 HydrophobicContact CG1-CG2 4.09Å; I756-V916 HydrophobicContact CG2-CB 4.43Å; I756-V916 HydrophobicContact CG2-CG2 3.63Å; I783-V916 HydrophobicContact CD1-CG2 4.32Å; I783-V916 HydrophobicContact CG2-CG2 3.84Å; V916-F919 HydrophobicContact CG1-CE2 3.94Å; V916-F919 HydrophobicContact CG1-CZ 4.35Å; V916-V946 HydrophobicContact CB-CG2 4.35Å; V916-V946 HydrophobicContact CG1-CG2 3.65Å; V916-V946 HydrophobicContact CG2-CG2 3.81Å; V916-I948 HydrophobicContact CG2-CG2 4.28Å; V916-M979 HydrophobicContact CG1-SD 4.18Å
917T94Very high82.2Confident55 Ų5551.8 Ų51.834%0.33726%0.259SS..EExtended strand (participates in β ladder)trans-112.9-12.7-17954.20000112.9K915 V947 E949K915-T917 HydrophobicContact CG-CG2 4.38Å; K915-T917 PolarHBondContact O-N 2.99Å; T917-V947 PolarHBondContact N-O 2.83Å; T917-V947 WeakPolarHBondContact OG1-CG1 3.3Å; T917-V947 PolarHBondContact OG1-O 3.42Å; T917-E949 HydrophobicContact CG2-CB 3.71Å
918G94.1Very high80.7Confident14 Ų1451.2 Ų51.214%0.14426%0.256CS..EExtended strand (participates in β ladder)trans176.6179.8179.700000112.4V947G918-V947 PolarHBondContact O-N 2.97Å
919F94.3Very high79.2Confident8 Ų851 Ų514%0.03525%0.252CS..EExtended strand (participates in β ladder)trans-128.2152.7169.3-68.5-104.1000109.6I756 V916 W921 L943 R945 V946 F965 V976 M979 A980 Y1110I756-F919 HydrophobicContact CD1-CE1 3.93Å; I756-F919 HydrophobicContact CD1-CE2 4.4Å; I756-F919 HydrophobicContact CD1-CZ 3.37Å; V916-F919 HydrophobicContact CG1-CE2 3.94Å; V916-F919 HydrophobicContact CG1-CZ 4.35Å; F919-W921 HydrophobicContact CB-CZ2 4.41Å; F919-W921 WeakPolarHBondContact O-CH2 3.17Å; F919-W921 WeakPolarHBondContact O-CZ3 3.46Å; F919-L943 HydrophobicContact CB-CD2 3.53Å; F919-L943 HydrophobicContact CD1-CD1 4.27Å; F919-L943 HydrophobicContact CD1-CD2 3.84Å; F919-L943 HydrophobicContact CD1-CG 4.49Å; F919-L943 HydrophobicContact CE1-CD1 4.47Å; F919-L943 HydrophobicContact CG-CD2 3.84Å; F919-R945 WeakPolarHBondContact CA-O 3.09Å; F919-V946 HydrophobicContact CD1-CB 4.12Å; F919-V946 HydrophobicContact CD1-CG2 4.32Å; F919-V946 HydrophobicContact CE1-CB 4.05Å; F919-V946 HydrophobicContact CE1-CG2 4.01Å; F919-V946 HydrophobicContact CZ-CG2 4.24Å; F919-F965 HydrophobicContact CD1-CD1 4.24Å; F919-F965 HydrophobicContact CD1-CE1 4.27Å; F919-F965 AromaticContact CE1-CD1 3.75Å; F919-F965 HydrophobicContact CE1-CD1 3.75Å; F919-F965 HydrophobicContact CE1-CE1 4.21Å; F919-F965 HydrophobicContact CE1-CG 4.25Å; F919-V976 HydrophobicContact CE2-CG1 4.22Å; F919-V976 HydrophobicContact CZ-CG1 4.23Å; F919-M979 HydrophobicContact CD2-CB 4.12Å; F919-M979 HydrophobicContact CE2-CB 4.19Å; F919-A980 VanDerWaalsContact CD2-CA 3.47Å; F919-A980 HydrophobicContact CD2-CB 3.59Å; F919-A980 HydrophobicContact CE2-CB 3.64Å; F919-A980 HydrophobicContact CG-CB 4.03Å; F919-A980 HydrophobicContact CZ-CB 4.1Å; F919-Y1110 HydrophobicContact CE1-CE2 4.1Å; F919-Y1110 AromaticContact CZ-CE2 3.95Å; F919-Y1110 HydrophobicContact CZ-CE2 3.95Å
920E91.3Very high77.7Confident69 Ų6956.6 Ų56.632%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-108.6134.6167.1-61.8178.1-17800108.9R944 R945 V947E920-R944 PolarHBondContact O-N 3.3Å; E920-R945 HydrophobicContact CB-CB 4.09Å; E920-R945 HydrophobicContact CB-CG 4.43Å; E920-R945 PolarHBondContact N-O 3.38Å; E920-R945 PolarHBondContact O-N 2.95Å; E920-R945 VanDerWaalsContact O-N 3.11Å; E920-R945 VanDerWaalsContact OE2-CD 3.29Å; E920-R945 WeakPolarHBondContact OE2-CD 3.26Å; E920-R945 IonicContact OE2-CZ 3.32Å; E920-R945 IonicContact OE2-NE 3.24Å; E920-R945 IonicContact OE2-NH1 3.5Å; E920-R945 PolarHBondContact OE2-NH1 3.05Å; E920-V947 HydrophobicContact CG-CG2 3.91Å
921W83.9Confident76.6Confident93 Ų9358 Ų5835%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-97.1145.2176.1-55-97.7000109.2F919 K941 R942 L943 A980 Y1107F919-W921 HydrophobicContact CB-CZ2 4.41Å; F919-W921 WeakPolarHBondContact O-CH2 3.17Å; F919-W921 WeakPolarHBondContact O-CZ3 3.46Å; W921-K941 HydrophobicContact CB-CB 4.05Å; W921-K941 HydrophobicContact CB-CD 3.98Å; W921-K941 HydrophobicContact CB-CG 4.24Å; W921-K941 HydrophobicContact CG-CB 4.24Å; W921-K941 HydrophobicContact CG-CD 4.04Å; W921-R942 VanDerWaalsContact CA-O 3.31Å; W921-R942 WeakPolarHBondContact CA-O 3.48Å; W921-L943 HydrophobicContact CG-CD2 4.38Å; W921-L943 VanDerWaalsContact NE1-CD2 3.27Å; W921-A980 WeakPolarHBondContact CZ2-O 3.47Å; W921-A980 PolarHBondContact NE1-O 3.27Å; W921-Y1107 AromaticContact NE1-CZ 3.93Å; W921-Y1107 PolarHBondContact NE1-OH 3.28Å
922D75Confident75Confident59 Ų5957.2 Ų57.232%0.31629%0.286SS..EExtended strand (participates in β ladder)trans-114.6158.5164.1-167.310.9000108.1S924 R942 R944D922-S924 PolarHBondContact O-N 3.33Å; D922-R942 PolarHBondContact N-O 3.37Å; D922-R942 PolarHBondContact O-N 2.82Å; D922-R944 HydrophobicContact CB-CB 3.51Å; D922-R944 HydrophobicContact CB-CG 3.68Å; D922-R944 IonicContact OD2-NE 3.93Å
923W68.3Low74.1Confident66 Ų6659.3 Ų59.325%0.2530%0.301CS..EExtended strand (participates in β ladder)trans-77128.8175.4-55.399.9000108S925 A928 A929 Q937 K941W923-S925 VanDerWaalsContact CB-O 3.22Å; W923-S925 WeakPolarHBondContact CB-O 3.31Å; W923-S925 PolarHBondContact O-N 2.88Å; W923-S925 VanDerWaalsContact O-N 3.17Å; W923-A928 HydrophobicContact CE3-CB 4.21Å; W923-A929 HydrophobicContact CB-CB 3.97Å; W923-A929 VanDerWaalsContact CD2-CA 3.4Å; W923-A929 HydrophobicContact CD2-CB 3.45Å; W923-A929 VanDerWaalsContact CD2-CB 3.45Å; W923-A929 HydrophobicContact CE3-CB 4.24Å; W923-A929 HydrophobicContact CG-CB 3.27Å; W923-A929 HydrophobicContact CZ2-CB 4.34Å; W923-Q937 HydrophobicContact CH2-CB 3.61Å; W923-Q937 HydrophobicContact CH2-CG 3.85Å; W923-Q937 HydrophobicContact CZ3-CB 3.58Å; W923-Q937 HydrophobicContact CZ3-CG 3.91Å; W923-Q937 WeakPolarHBondContact CZ3-O 3.2Å; W923-K941 HydrophobicContact CE3-CG 4Å; W923-K941 HydrophobicContact CH2-CD 4.43Å; W923-K941 HydrophobicContact CH2-CG 4.19Å; W923-K941 HydrophobicContact CZ3-CD 4.39Å; W923-K941 HydrophobicContact CZ3-CG 3.69Å
924S60.8Low73.1Confident65 Ų6558.7 Ų58.746%0.45531%0.309SS..SBendtrans-60.7-20.917157.90000111.7D922 Y940D922-S924 PolarHBondContact O-N 3.33Å; S924-Y940 WeakPolarHBondContact CB-O 3.36Å; S924-Y940 PolarHBondContact N-O 2.91Å; S924-Y940 PolarHBondContact OG-O 3.37Å
925S56.6Low72Confident39 Ų3963.1 Ų63.127%0.27333%0.333SS..SBendtrans-146.4139170.864.50000110.6W923 H927 A928W923-S925 VanDerWaalsContact CB-O 3.22Å; W923-S925 WeakPolarHBondContact CB-O 3.31Å; W923-S925 PolarHBondContact O-N 2.88Å; W923-S925 VanDerWaalsContact O-N 3.17Å; S925-H927 VanDerWaalsContact C-CA 3.43Å; S925-H927 CarbonylContact O-C 3.54Å; S925-H927 WeakPolarHBondContact O-CA 3.41Å; S925-H927 PolarHBondContact O-N 2.78Å; S925-H927 WeakPolarHBondContact OG-CA 3.01Å; S925-A928 PolarHBondContact O-N 3.18Å; S925-A928 PolarHBondContact OG-N 2.79Å
926E56.4Low70.9Confident166 Ų16663.6 Ų63.678%0.77634%0.335SS*.Hα-helixtrans-56.4-48.5173.9-69.3-177.6167.200112A928 A929 N930E926-A928 PolarHBondContact O-N 3.38Å; E926-A929 WeakPolarHBondContact O-CB 3.09Å; E926-A929 PolarHBondContact O-N 2.93Å; E926-N930 PolarHBondContact O-N 3.48Å
927H54.3Low69.6Low45 Ų4564.9 Ų64.921%0.20834%0.34CS..Hα-helix45.5-113.1110.6-63.8127.3000119.3S36 S925 A929 F931S36-H927 WeakPolarHBondContact CA-CD2 3.48Å; S36-H927 WeakPolarHBondContact CA-CE1 3.48Å; S36-H927 WeakPolarHBondContact CA-NE2 3.23Å; S36-H927 WeakPolarHBondContact CB-CD2 3.21Å; S36-H927 VanDerWaalsContact CB-NE2 3.34Å; S36-H927 WeakPolarHBondContact CB-NE2 3.22Å; S36-H927 PolarHBondContact O-ND1 3.14Å; S925-H927 VanDerWaalsContact C-CA 3.43Å; S925-H927 CarbonylContact O-C 3.54Å; S925-H927 WeakPolarHBondContact O-CA 3.41Å; S925-H927 PolarHBondContact O-N 2.78Å; S925-H927 WeakPolarHBondContact OG-CA 3.01Å; H927-A929 VanDerWaalsContact C-N 3.29Å; H927-A929 PolarHBondContact O-N 3.11Å; H927-F931 AromaticContact CD2-CD2 3.11Å; H927-F931 WeakPolarHBondContact CD2-CD2 3.21Å; H927-F931 AromaticContact CD2-CE2 3.55Å; H927-F931 AromaticContact CD2-CG 3.82Å; H927-F931 AromaticContact NE2-CD2 3.36Å; H927-F931 WeakPolarHBondContact NE2-CD2 3.43Å; H927-F931 AromaticContact NE2-CE2 3.41Å; H927-F931 WeakPolarHBondContact NE2-CE2 3.31Å; H927-F931 AromaticContact NE2-CG 3.92Å; H927-F931 WeakPolarHBondContact O-CD2 3.25Å
928A55.4Low68.4Low2 Ų262.8 Ų62.82%0.01733%0.326CS..Hα-helixtrans-68.2-25.7179.400000113.7W923 S925 E926 N930 L932 Y940W923-A928 HydrophobicContact CE3-CB 4.21Å; S925-A928 PolarHBondContact O-N 3.18Å; S925-A928 PolarHBondContact OG-N 2.79Å; E926-A928 PolarHBondContact O-N 3.38Å; A928-N930 VanDerWaalsContact C-N 3.31Å; A928-N930 PolarHBondContact O-N 3.42Å; A928-L932 HydrophobicContact CB-CD1 3.84Å; A928-Y940 HydrophobicContact CB-CD1 4.15Å; A928-Y940 HydrophobicContact CB-CD2 4.08Å; A928-Y940 HydrophobicContact CB-CG 3.57Å
929A52.3Low67.3Low19 Ų1966.2 Ų66.216%0.15733%0.334CS..Hα-helixtrans-60.4-42.8179.400000112.2W923 E926 H927 Q937W923-A929 HydrophobicContact CB-CB 3.97Å; W923-A929 VanDerWaalsContact CD2-CA 3.4Å; W923-A929 HydrophobicContact CD2-CB 3.45Å; W923-A929 VanDerWaalsContact CD2-CB 3.45Å; W923-A929 HydrophobicContact CE3-CB 4.24Å; W923-A929 HydrophobicContact CG-CB 3.27Å; W923-A929 HydrophobicContact CZ2-CB 4.34Å; E926-A929 WeakPolarHBondContact O-CB 3.09Å; E926-A929 PolarHBondContact O-N 2.93Å; H927-A929 VanDerWaalsContact C-N 3.29Å; H927-A929 PolarHBondContact O-N 3.11Å; A929-Q937 PolarHBondContact O-NE2 3.25Å
930N60.6Low66.2Low122 Ų12268 Ų6865%0.65234%0.342SS*.Hα-helixtrans-99.5-25.3-164.9-66.1-22.8000113.5E926 A928E926-N930 PolarHBondContact O-N 3.48Å; A928-N930 VanDerWaalsContact C-N 3.31Å; A928-N930 PolarHBondContact O-N 3.42Å
931F64.6Low65.4Low112 Ų11268 Ų6849%0.49134%0.34SS..Hα-helixtrans-119.7-11.3-164.4-64.8-86.9000115.8H927H927-F931 AromaticContact CD2-CD2 3.11Å; H927-F931 WeakPolarHBondContact CD2-CD2 3.21Å; H927-F931 AromaticContact CD2-CE2 3.55Å; H927-F931 AromaticContact CD2-CG 3.82Å; H927-F931 AromaticContact NE2-CD2 3.36Å; H927-F931 WeakPolarHBondContact NE2-CD2 3.43Å; H927-F931 AromaticContact NE2-CE2 3.41Å; H927-F931 WeakPolarHBondContact NE2-CE2 3.31Å; H927-F931 AromaticContact NE2-CG 3.92Å; H927-F931 WeakPolarHBondContact O-CD2 3.25Å
932L59.1Low65.1Low31 Ų3168.4 Ų68.416%0.16234%0.342CS..SBendtrans-90.9145175.3-71.8170.7000111A928 Q937 Y940A928-L932 HydrophobicContact CB-CD1 3.84Å; L932-Q937 HydrophobicContact CB-CG 3.75Å; L932-Q937 WeakPolarHBondContact O-CG 3.49Å; L932-Q937 PolarHBondContact O-NE2 3.05Å; L932-Y940 HydrophobicContact CD1-CD2 3.19Å; L932-Y940 HydrophobicContact CD1-CE2 3.28Å; L932-Y940 HydrophobicContact CD1-CG 4.06Å
933P68.4Low65.7Low62 Ų6265.6 Ų65.640%0.40333%0.327SS..  trans-53.3142.2166.5-2635.1000111.2D935 K936 Q937P933-D935 WeakPolarHBondContact CB-OD1 3.16Å; P933-D935 PolarHBondContact O-N 3.46Å; P933-K936 PolarHBondContact O-N 2.95Å; P933-Q937 WeakPolarHBondContact O-CG 3.4Å; P933-Q937 PolarHBondContact O-N 3.4Å; P933-Q937 VanDerWaalsContact O-N 3.11Å
934P67.8Low66.7Low106 Ų10666 Ų6669%0.68833%0.328SS*.Hα-helixtrans-50.9-32.4-178.8-29.335.5000114.7K936P934-K936 VanDerWaalsContact C-N 3.3Å; P934-K936 PolarHBondContact O-N 3.04Å
935D67Low68.3Low93 Ų9366.1 Ų66.150%0.49732%0.319SS..Hα-helixtrans-71.5-16.7177.761.6-65000114.4P933 W938P933-D935 WeakPolarHBondContact CB-OD1 3.16Å; P933-D935 PolarHBondContact O-N 3.46Å; D935-W938 PolarHBondContact O-NE1 3.48Å
936K69.8Low70.1Confident100 Ų10064.3 Ų64.344%0.43531%0.306SS..Hα-helixtrans-110.6-18179-64.7-171.2-179.8176.90114.1P933 P934 W938 R939P933-K936 PolarHBondContact O-N 2.95Å; P934-K936 VanDerWaalsContact C-N 3.3Å; P934-K936 PolarHBondContact O-N 3.04Å; K936-W938 PolarHBondContact O-N 3.32Å; K936-R939 PolarHBondContact O-N 3Å
937Q68Low71.9Confident36 Ų3657.5 Ų57.517%0.16828%0.275CS..Hα-helixtrans-53-35.8179.7-87.4-178.210.100113.4W923 A929 L932 P933 R939 Y940W923-Q937 HydrophobicContact CH2-CB 3.61Å; W923-Q937 HydrophobicContact CH2-CG 3.85Å; W923-Q937 HydrophobicContact CZ3-CB 3.58Å; W923-Q937 HydrophobicContact CZ3-CG 3.91Å; W923-Q937 WeakPolarHBondContact CZ3-O 3.2Å; A929-Q937 PolarHBondContact O-NE2 3.25Å; L932-Q937 HydrophobicContact CB-CG 3.75Å; L932-Q937 WeakPolarHBondContact O-CG 3.49Å; L932-Q937 PolarHBondContact O-NE2 3.05Å; P933-Q937 WeakPolarHBondContact O-CG 3.4Å; P933-Q937 PolarHBondContact O-N 3.4Å; P933-Q937 VanDerWaalsContact O-N 3.11Å; Q937-R939 PolarHBondContact O-N 2.83Å; Q937-Y940 PolarHBondContact O-N 2.78Å
938W69.5Low73.8Confident12 Ų1255.3 Ų55.35%0.04527%0.266CS..G310 helixtrans-54.1-30.4-177.971.9-92.1000114.1D935 K936 Y940 K941 P986 E987 L988 L989 F1106D935-W938 PolarHBondContact O-NE1 3.48Å; K936-W938 PolarHBondContact O-N 3.32Å; W938-Y940 PolarHBondContact O-N 2.8Å; W938-K941 PolarHBondContact O-N 3.4Å; W938-P986 HydrophobicContact CB-CG 3.76Å; W938-P986 HydrophobicContact CD2-CG 3.98Å; W938-P986 HydrophobicContact CG-CG 3.36Å; W938-E987 HydrophobicContact CH2-CB 4.46Å; W938-E987 HydrophobicContact CZ2-CB 3.68Å; W938-E987 HydrophobicContact CZ2-CG 4.12Å; W938-E987 WeakPolarHBondContact CZ2-OE2 3.35Å; W938-L988 HydrophobicContact CH2-CB 4.29Å; W938-L989 HydrophobicContact CB-CD1 4.16Å; W938-L989 HydrophobicContact CD2-CD1 3.92Å; W938-L989 HydrophobicContact CD2-CG 4.34Å; W938-L989 HydrophobicContact CE3-CD1 3.29Å; W938-L989 HydrophobicContact CE3-CD2 4.47Å; W938-L989 HydrophobicContact CE3-CG 3.54Å; W938-L989 HydrophobicContact CG-CD1 4.33Å; W938-L989 HydrophobicContact CH2-CG 4.48Å; W938-L989 HydrophobicContact CZ3-CD1 3.93Å; W938-L989 HydrophobicContact CZ3-CD2 4.34Å; W938-L989 HydrophobicContact CZ3-CG 3.61Å; W938-F1106 HydrophobicContact CH2-CD1 4.44Å; W938-F1106 HydrophobicContact CH2-CE1 4.38Å; W938-F1106 HydrophobicContact CZ3-CD1 4.17Å; W938-F1106 HydrophobicContact CZ3-CG 4.25Å
939R70.5Confident75.4Confident85 Ų8559.2 Ų59.232%0.32128%0.283SS..G310 helixtrans-65.7-18.3-178.3-62.1178.1178.6-145.5-0.3113.7A677 K936 Q937 E987A677-R939 VanDerWaalsContact O-CZ 3.22Å; A677-R939 PolarHBondContact O-NH1 2.97Å; A677-R939 PolarHBondContact O-NH2 2.93Å; K936-R939 PolarHBondContact O-N 3Å; Q937-R939 PolarHBondContact O-N 2.83Å; R939-E987 IonicContact CZ-OE1 2.6Å; R939-E987 IonicContact CZ-OE2 2.72Å; R939-E987 IonicContact NE-OE1 2.76Å; R939-E987 IonicContact NE-OE2 3.5Å; R939-E987 IonicContact NH2-OE1 3.79Å; R939-E987 PolarHBondContact NH2-OE1 3.1Å; R939-E987 IonicContact NH2-OE2 3.87Å; R939-E987 PolarHBondContact NH2-OE2 3.18Å
940Y71.1Confident77Confident47 Ų4758.8 Ų58.818%0.18428%0.279CS..G310 helixtrans-117.57.7-176.5-62.5-92.7000112.3N34 S924 A928 L932 Q937 W938N34-Y940 PolarHBondContact ND2-OH 2.78Å; S924-Y940 WeakPolarHBondContact CB-O 3.36Å; S924-Y940 PolarHBondContact N-O 2.91Å; S924-Y940 PolarHBondContact OG-O 3.37Å; A928-Y940 HydrophobicContact CB-CD1 4.15Å; A928-Y940 HydrophobicContact CB-CD2 4.08Å; A928-Y940 HydrophobicContact CB-CG 3.57Å; L932-Y940 HydrophobicContact CD1-CD2 3.19Å; L932-Y940 HydrophobicContact CD1-CE2 3.28Å; L932-Y940 HydrophobicContact CD1-CG 4.06Å; Q937-Y940 PolarHBondContact O-N 2.78Å; W938-Y940 PolarHBondContact O-N 2.8Å
941K73.6Confident78Confident68 Ų6855.5 Ų55.530%0.29626%0.26SS..EExtended strand (participates in β ladder)trans-73.7145.4167.8-69.8-172.6178.3-174.20108.6W921 W923 W938 Y1107W921-K941 HydrophobicContact CB-CB 4.05Å; W921-K941 HydrophobicContact CB-CD 3.98Å; W921-K941 HydrophobicContact CB-CG 4.24Å; W921-K941 HydrophobicContact CG-CB 4.24Å; W921-K941 HydrophobicContact CG-CD 4.04Å; W923-K941 HydrophobicContact CE3-CG 4Å; W923-K941 HydrophobicContact CH2-CD 4.43Å; W923-K941 HydrophobicContact CH2-CG 4.19Å; W923-K941 HydrophobicContact CZ3-CD 4.39Å; W923-K941 HydrophobicContact CZ3-CG 3.69Å; W938-K941 PolarHBondContact O-N 3.4Å; K941-Y1107 HydrophobicContact CB-CE1 4.01Å; K941-Y1107 WeakPolarHBondContact O-CD1 3.5Å; K941-Y1107 WeakPolarHBondContact O-CE1 3.42Å
942R78Confident78.4Confident101 Ų10158 Ų5838%0.38127%0.267SS..EExtended strand (participates in β ladder)trans-126.6143.7163.261.7176.7-178.9173.10.5108.2W921 D922 R944W921-R942 VanDerWaalsContact CA-O 3.31Å; W921-R942 WeakPolarHBondContact CA-O 3.48Å; D922-R942 PolarHBondContact N-O 3.37Å; D922-R942 PolarHBondContact O-N 2.82Å; R942-R944 PolarHBondContact O-N 2.98Å
943L87.5Confident78.9Confident0 Ų059.4 Ų59.40%028%0.277CS..EExtended strand (participates in β ladder)trans-63.6132.4171.5-65.4168.7000108F919 W921 F965 A980 Y1107 N1109 Y1110F919-L943 HydrophobicContact CB-CD2 3.53Å; F919-L943 HydrophobicContact CD1-CD1 4.27Å; F919-L943 HydrophobicContact CD1-CD2 3.84Å; F919-L943 HydrophobicContact CD1-CG 4.49Å; F919-L943 HydrophobicContact CE1-CD1 4.47Å; F919-L943 HydrophobicContact CG-CD2 3.84Å; W921-L943 HydrophobicContact CG-CD2 4.38Å; W921-L943 VanDerWaalsContact NE1-CD2 3.27Å; L943-F965 HydrophobicContact CB-CD2 3.78Å; L943-F965 HydrophobicContact CB-CE2 3.64Å; L943-F965 HydrophobicContact CB-CZ 4.34Å; L943-F965 WeakPolarHBondContact O-CE2 3.49Å; L943-A980 HydrophobicContact CD1-CB 4.09Å; L943-A980 HydrophobicContact CD2-CB 4.16Å; L943-Y1107 HydrophobicContact CG-CG 4.49Å; L943-N1109 PolarHBondContact O-ND2 3.08Å; L943-Y1110 HydrophobicContact CD1-CD2 3.23Å; L943-Y1110 HydrophobicContact CD1-CE2 3.89Å; L943-Y1110 HydrophobicContact CD1-CG 3.73Å
944R89.5Confident78.9Confident76 Ų7665 Ų6529%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-125-35.5-175.8-171.964.6169152.48.1111.9E920 D922 R942 Y961 A962E920-R944 PolarHBondContact O-N 3.3Å; D922-R944 HydrophobicContact CB-CB 3.51Å; D922-R944 HydrophobicContact CB-CG 3.68Å; D922-R944 IonicContact OD2-NE 3.93Å; R942-R944 PolarHBondContact O-N 2.98Å; R944-Y961 HydrophobicContact CG-CD1 3.66Å; R944-Y961 HydrophobicContact CG-CE1 3.4Å; R944-A962 PolarHBondContact O-N 3.01Å; R944-A962 VanDerWaalsContact O-N 3.09Å
945R93.7Very high79.1Confident67 Ų6762.7 Ų62.725%0.25329%0.287SS..EExtended strand (participates in β ladder)trans-134.3148.3175.2-42.9-171.3-171.9145.2-15.6111.3F919 E920 P959 I960 Y961F919-R945 WeakPolarHBondContact CA-O 3.09Å; E920-R945 HydrophobicContact CB-CB 4.09Å; E920-R945 HydrophobicContact CB-CG 4.43Å; E920-R945 PolarHBondContact N-O 3.38Å; E920-R945 PolarHBondContact O-N 2.95Å; E920-R945 VanDerWaalsContact O-N 3.11Å; E920-R945 VanDerWaalsContact OE2-CD 3.29Å; E920-R945 WeakPolarHBondContact OE2-CD 3.26Å; E920-R945 IonicContact OE2-CZ 3.32Å; E920-R945 IonicContact OE2-NE 3.24Å; E920-R945 IonicContact OE2-NH1 3.5Å; E920-R945 PolarHBondContact OE2-NH1 3.05Å; R945-P959 HydrophobicContact CB-CB 3.91Å; R945-P959 HydrophobicContact CG-CB 4.41Å; R945-I960 CarbonylContact C-O 3.55Å; R945-I960 WeakPolarHBondContact CA-O 3.36Å; R945-I960 WeakPolarHBondContact CB-O 3.31Å; R945-Y961 HydrophobicContact CG-CD1 3.81Å; R945-Y961 HydrophobicContact CG-CD2 4.25Å; R945-Y961 HydrophobicContact CG-CE1 4.02Å; R945-Y961 HydrophobicContact CG-CE2 4.47Å; R945-Y961 HydrophobicContact CG-CG 3.95Å; R945-Y961 VanDerWaalsContact CZ-CE2 3.46Å; R945-Y961 PolarHBondContact NE-OH 3.2Å; R945-Y961 PolarHBondContact NH2-OH 3.47Å
946V95Very high79.7Confident0 Ų061.5 Ų61.50%029%0.29CS..EExtended strand (participates in β ladder)trans-101.8129.2165.157.90000107.7A754 I756 I783 V916 F919 I948 P959 I960 F965A754-V946 HydrophobicContact CB-CG1 4.24Å; I756-V946 HydrophobicContact CD1-CG2 4.39Å; I783-V946 HydrophobicContact CD1-CG1 3.79Å; I783-V946 HydrophobicContact CD1-CG2 4.22Å; V916-V946 HydrophobicContact CB-CG2 4.35Å; V916-V946 HydrophobicContact CG1-CG2 3.65Å; V916-V946 HydrophobicContact CG2-CG2 3.81Å; F919-V946 HydrophobicContact CD1-CB 4.12Å; F919-V946 HydrophobicContact CD1-CG2 4.32Å; F919-V946 HydrophobicContact CE1-CB 4.05Å; F919-V946 HydrophobicContact CE1-CG2 4.01Å; F919-V946 HydrophobicContact CZ-CG2 4.24Å; V946-I948 HydrophobicContact CG1-CG2 4.33Å; V946-I948 HydrophobicContact CG2-CG2 4.07Å; V946-P959 CarbonylContact O-C 3.56Å; V946-P959 WeakPolarHBondContact O-CA 3.5Å; V946-I960 HydrophobicContact CG1-CB 4.19Å; V946-I960 PolarHBondContact N-O 3.17Å; V946-I960 PolarHBondContact O-N 3.48Å; V946-F965 HydrophobicContact CB-CD1 4.21Å; V946-F965 HydrophobicContact CB-CE1 3.76Å; V946-F965 HydrophobicContact CG1-CE1 4.02Å
947V95.1Very high80.4Confident23 Ų2359.9 Ų59.914%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-89.8121.1175.8-171.10000107.7T917 G918 E920 P957 P959T917-V947 PolarHBondContact N-O 2.83Å; T917-V947 WeakPolarHBondContact OG1-CG1 3.3Å; T917-V947 PolarHBondContact OG1-O 3.42Å; G918-V947 PolarHBondContact O-N 2.97Å; E920-V947 HydrophobicContact CG-CG2 3.91Å; V947-P957 HydrophobicContact CG1-CB 3.95Å; V947-P959 HydrophobicContact CG2-CB 4.36Å
948I92.6Very high81.3Confident0 Ų065.6 Ų65.60%031%0.31CS..EExtended strand (participates in β ladder)trans-118.3144.3179.766.6158.7000110.9I747 I783 I912 A914 K915 V916 V946 P957 R958 I960I747-I948 HydrophobicContact CD1-CD1 4.37Å; I747-I948 HydrophobicContact CG2-CD1 3.93Å; I783-I948 HydrophobicContact CD1-CG2 3.7Å; I783-I948 HydrophobicContact CG1-CG2 4.25Å; I783-I948 HydrophobicContact CG2-CG2 4.11Å; I912-I948 HydrophobicContact CG2-CD1 3.83Å; A914-I948 HydrophobicContact CB-CB 3.89Å; A914-I948 HydrophobicContact CB-CD1 3.72Å; A914-I948 HydrophobicContact CB-CG1 4.29Å; K915-I948 CarbonylContact O-C 3.5Å; K915-I948 VanDerWaalsContact O-CA 3.28Å; K915-I948 WeakPolarHBondContact O-CA 3.41Å; V916-I948 HydrophobicContact CG2-CG2 4.28Å; V946-I948 HydrophobicContact CG1-CG2 4.33Å; V946-I948 HydrophobicContact CG2-CG2 4.07Å; I948-P957 CarbonylContact O-C 3.52Å; I948-P957 VanDerWaalsContact O-CA 3.25Å; I948-P957 WeakPolarHBondContact O-CA 3.33Å; I948-R958 PolarHBondContact N-O 2.96Å; I948-R958 PolarHBondContact O-N 2.87Å; I948-I960 HydrophobicContact CD1-CD1 3.49Å; I948-I960 VanDerWaalsContact CD1-CD1 3.49Å; I948-I960 HydrophobicContact CD1-CG1 4.3Å; I948-I960 HydrophobicContact CG1-CD1 3.96Å; I948-I960 HydrophobicContact CG1-CG1 4.28Å
949E89.9Confident82.3Confident84 Ų8467.1 Ų67.139%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-107.1103.5170.8-178.9175.2-13900107.9A914 K915 T917 Q951 P957A914-E949 CarbonylContact C-O 3.46Å; A914-E949 VanDerWaalsContact CA-O 3.24Å; A914-E949 WeakPolarHBondContact CA-O 3.4Å; A914-E949 WeakPolarHBondContact CB-O 3.42Å; K915-E949 HydrophobicContact CB-CB 4.41Å; K915-E949 PolarHBondContact N-O 3.06Å; K915-E949 PolarHBondContact O-N 2.84Å; T917-E949 HydrophobicContact CG2-CB 3.71Å; E949-Q951 PolarHBondContact O-N 2.85Å; E949-P957 HydrophobicContact CB-CB 4.48Å; E949-P957 HydrophobicContact CB-CG 4.19Å; E949-P957 HydrophobicContact CG-CG 4.26Å
950P86.6Confident83.3Confident10 Ų1063.1 Ų63.17%0.06531%0.307CS..EExtended strand (participates in β ladder)trans-62.6135-179-20.333.4000111.5I747 V955I747-P950 HydrophobicContact CD1-CB 3.84Å; I747-P950 HydrophobicContact CD1-CG 3.43Å; I747-P950 VanDerWaalsContact CD1-CG 3.43Å; P950-V955 HydrophobicContact CG-CB 4.49Å; P950-V955 HydrophobicContact CG-CG1 4.49Å
951Q81.4Confident84.3Confident52 Ų5264.4 Ų64.424%0.24331%0.311CS..THydrogen-bonded Turntrans-83.7152.2179.2-65.8-172.4-22.200112N785 K913 E949 T953N785-Q951 VanDerWaalsContact O-CD 3.26Å; N785-Q951 PolarHBondContact O-NE2 2.84Å; N785-Q951 PolarHBondContact O-OE1 3.43Å; N785-Q951 PolarHBondContact OD1-NE2 3.47Å; N785-Q951 VanDerWaalsContact OD1-NE2 3.17Å; K913-Q951 HydrophobicContact CB-CB 4.44Å; K913-Q951 PolarHBondContact O-N 2.68Å; E949-Q951 PolarHBondContact O-N 2.85Å; Q951-T953 PolarHBondContact O-N 2.85Å
952Y72Confident85.1Confident165 Ų16561.2 Ų61.265%0.64730%0.298SS*.THydrogen-bonded Turntrans61.425.7179.8-46.7-79000114.2S787S787-Y952 VanDerWaalsContact OG-CE2 3.31Å; S787-Y952 WeakPolarHBondContact OG-CE2 3.35Å; S787-Y952 PolarHBondContact OG-OH 3.46Å
953T70.9Confident85.7Confident60 Ų6060.4 Ų60.437%0.36830%0.304SS..SBendtrans-141.4151.8175.474.80000109.9Q951 V955Q951-T953 PolarHBondContact O-N 2.85Å; T953-V955 PolarHBondContact O-N 2.74Å; T953-V955 WeakPolarHBondContact OG1-CB 3.16Å; T953-V955 PolarHBondContact OG1-N 3.01Å
954D68.4Low86Confident180 Ų18062 Ų6296%0.96331%0.312SS*.  trans-82.817.4173.3-59.1-35.3000112.6A956D954-A956 PolarHBondContact O-N 3.07Å
955V72.1Confident86.3Confident58 Ų5858.3 Ų58.335%0.35230%0.299SS..PPolyproline II helixtrans-76.2123.1-177.7-179.20000109.1P950 T953P950-V955 HydrophobicContact CG-CB 4.49Å; P950-V955 HydrophobicContact CG-CG1 4.49Å; T953-V955 PolarHBondContact O-N 2.74Å; T953-V955 WeakPolarHBondContact OG1-CB 3.16Å; T953-V955 PolarHBondContact OG1-N 3.01Å
956A78.5Confident86.5Confident67 Ų6755.1 Ų55.155%0.55429%0.287SS*.PPolyproline II helixtrans-54.6153.4174.500000111.9D954 R958D954-A956 PolarHBondContact O-N 3.07Å; A956-R958 WeakPolarHBondContact O-CG 3.31Å; A956-R958 PolarHBondContact O-N 2.87Å
957P85.1Confident86.6Confident66 Ų6655.1 Ų55.143%0.42929%0.287SS..PPolyproline II helixtrans-50.7135.1175.1-2733.9000112.1V947 I948 E949V947-P957 HydrophobicContact CG1-CB 3.95Å; I948-P957 CarbonylContact O-C 3.52Å; I948-P957 VanDerWaalsContact O-CA 3.25Å; I948-P957 WeakPolarHBondContact O-CA 3.33Å; E949-P957 HydrophobicContact CB-CB 4.48Å; E949-P957 HydrophobicContact CB-CG 4.19Å; E949-P957 HydrophobicContact CG-CG 4.26Å
958R85.8Confident86.7Confident156 Ų15654.3 Ų54.359%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-130.4140.9-175.8-81178.6171.1-178.1-1.6111.7I948 A956I948-R958 PolarHBondContact N-O 2.96Å; I948-R958 PolarHBondContact O-N 2.87Å; A956-R958 WeakPolarHBondContact O-CG 3.31Å; A956-R958 PolarHBondContact O-N 2.87Å
959P91.5Very high86.8Confident44 Ų4454.9 Ų54.929%0.28629%0.287SS..EExtended strand (participates in β ladder)trans-83.4138175.734.1-34.7000111.6R945 V946 V947R945-P959 HydrophobicContact CB-CB 3.91Å; R945-P959 HydrophobicContact CG-CB 4.41Å; V946-P959 CarbonylContact O-C 3.56Å; V946-P959 WeakPolarHBondContact O-CA 3.5Å; V947-P959 HydrophobicContact CG2-CB 4.36Å
960I90.2Very high86.9Confident2 Ų251.8 Ų51.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-111124.4169.7-59.5177.6000108.6I747 P748 I781 I912 R945 V946 I948 A962I747-I960 HydrophobicContact CG2-CD1 3.55Å; I747-I960 HydrophobicContact CG2-CG1 4.04Å; P748-I960 WeakPolarHBondContact O-CG2 3.49Å; I781-I960 HydrophobicContact CD1-CD1 3.73Å; I781-I960 HydrophobicContact CD1-CG2 3.94Å; I912-I960 HydrophobicContact CD1-CD1 4.11Å; R945-I960 CarbonylContact C-O 3.55Å; R945-I960 WeakPolarHBondContact CA-O 3.36Å; R945-I960 WeakPolarHBondContact CB-O 3.31Å; V946-I960 HydrophobicContact CG1-CB 4.19Å; V946-I960 PolarHBondContact N-O 3.17Å; V946-I960 PolarHBondContact O-N 3.48Å; I948-I960 HydrophobicContact CD1-CD1 3.49Å; I948-I960 VanDerWaalsContact CD1-CD1 3.49Å; I948-I960 HydrophobicContact CD1-CG1 4.3Å; I948-I960 HydrophobicContact CG1-CD1 3.96Å; I948-I960 HydrophobicContact CG1-CG1 4.28Å; I960-A962 PolarHBondContact O-N 3.46Å
961Y92.6Very high87.2Confident73 Ų7351.5 Ų51.529%0.28628%0.275SS..EExtended strand (participates in β ladder)trans-64.4130169.8-88.6-80.8000110.6V749 E750 C751 R944 R945V749-Y961 PolarHBondContact O-N 2.93Å; E750-Y961 CarbonylContact C-O 3.56Å; E750-Y961 VanDerWaalsContact CA-O 3.29Å; E750-Y961 WeakPolarHBondContact CA-O 3.45Å; C751-Y961 PolarHBondContact N-O 3.2Å; C751-Y961 PolarHBondContact SG-O 2.86Å; C751-Y961 VanDerWaalsContact SG-O 3.41Å; R944-Y961 HydrophobicContact CG-CD1 3.66Å; R944-Y961 HydrophobicContact CG-CE1 3.4Å; R945-Y961 HydrophobicContact CG-CD1 3.81Å; R945-Y961 HydrophobicContact CG-CD2 4.25Å; R945-Y961 HydrophobicContact CG-CE1 4.02Å; R945-Y961 HydrophobicContact CG-CE2 4.47Å; R945-Y961 HydrophobicContact CG-CG 3.95Å; R945-Y961 VanDerWaalsContact CZ-CE2 3.46Å; R945-Y961 PolarHBondContact NE-OH 3.2Å; R945-Y961 PolarHBondContact NH2-OH 3.47Å
962A90.7Very high87.7Confident2 Ų252 Ų522%0.01728%0.275CS..EExtended strand (participates in β ladder)trans-134.9147168.800000110.9C751 A754 R944 I960 F965C751-A962 WeakPolarHBondContact O-CA 3.49Å; C751-A962 WeakPolarHBondContact SG-CB 3.26Å; A754-A962 HydrophobicContact CB-CB 3.66Å; R944-A962 PolarHBondContact O-N 3.01Å; R944-A962 VanDerWaalsContact O-N 3.09Å; I960-A962 PolarHBondContact O-N 3.46Å; A962-F965 HydrophobicContact CB-CD1 4.09Å; A962-F965 HydrophobicContact CB-CE1 3.52Å; A962-F965 HydrophobicContact CB-CE2 4.15Å; A962-F965 HydrophobicContact CB-CZ 3.56Å
963T90.3Very high88.8Confident84 Ų8444.2 Ų44.252%0.51525%0.245SC..EExtended strand (participates in β ladder)trans-80.6-42.5173.2-55.70000110.1C751 S752 N1109C751-T963 PolarHBondContact O-N 3.02Å; S752-T963 WeakPolarHBondContact O-CB 3.09Å; S752-T963 PolarHBondContact O-N 3.32Å; T963-N1109 VanDerWaalsContact O-CB 3.25Å; T963-N1109 WeakPolarHBondContact O-CB 3.36Å; T963-N1109 PolarHBondContact O-ND2 3.02Å
964I93.9Very high89.8Confident32 Ų3241.8 Ų41.816%0.16423%0.231CC..EExtended strand (participates in β ladder)trans-124.5141.4180-60.1176.8000109.8S752 V753 A754 I966 N1109 F1111 I1135S752-I964 PolarHBondContact O-N 3.28Å; V753-I964 WeakPolarHBondContact CA-O 3.5Å; V753-I964 HydrophobicContact CG1-CB 4.37Å; V753-I964 HydrophobicContact CG1-CG2 4.32Å; V753-I964 HydrophobicContact CG2-CB 4.25Å; A754-I964 PolarHBondContact N-O 3.37Å; I964-I966 HydrophobicContact CG2-CG1 4.13Å; I964-N1109 WeakPolarHBondContact CA-O 3.38Å; I964-F1111 HydrophobicContact CG2-CD2 3.76Å; I964-F1111 HydrophobicContact CG2-CE2 3.88Å; I964-I1135 HydrophobicContact CD1-CB 4.5Å; I964-I1135 HydrophobicContact CD1-CD1 4.49Å; I964-I1135 HydrophobicContact CD1-CG1 4.36Å; I964-I1135 HydrophobicContact CD1-CG2 3.42Å; I964-I1135 VanDerWaalsContact CD1-CG2 3.42Å; I964-I1135 HydrophobicContact CG2-CD1 3.99Å
965F96.5Very high91Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-120.1133.1176.1-60.2-87000109.3A754 F919 L943 V946 A962 N1109 Y1110 F1111A754-F965 HydrophobicContact CB-CD1 4.06Å; A754-F965 HydrophobicContact CB-CE1 4.37Å; A754-F965 CarbonylContact O-C 3.3Å; A754-F965 WeakPolarHBondContact O-CA 3.36Å; F919-F965 HydrophobicContact CD1-CD1 4.24Å; F919-F965 HydrophobicContact CD1-CE1 4.27Å; F919-F965 AromaticContact CE1-CD1 3.75Å; F919-F965 HydrophobicContact CE1-CD1 3.75Å; F919-F965 HydrophobicContact CE1-CE1 4.21Å; F919-F965 HydrophobicContact CE1-CG 4.25Å; L943-F965 HydrophobicContact CB-CD2 3.78Å; L943-F965 HydrophobicContact CB-CE2 3.64Å; L943-F965 HydrophobicContact CB-CZ 4.34Å; L943-F965 WeakPolarHBondContact O-CE2 3.49Å; V946-F965 HydrophobicContact CB-CD1 4.21Å; V946-F965 HydrophobicContact CB-CE1 3.76Å; V946-F965 HydrophobicContact CG1-CE1 4.02Å; A962-F965 HydrophobicContact CB-CD1 4.09Å; A962-F965 HydrophobicContact CB-CE1 3.52Å; A962-F965 HydrophobicContact CB-CE2 4.15Å; A962-F965 HydrophobicContact CB-CZ 3.56Å; F965-N1109 PolarHBondContact N-O 2.95Å; F965-Y1110 HydrophobicContact CB-CD2 3.55Å; F965-Y1110 HydrophobicContact CB-CE2 4.08Å; F965-Y1110 HydrophobicContact CG-CD2 4.42Å; F965-Y1110 CarbonylContact O-C 3.53Å; F965-Y1110 WeakPolarHBondContact O-CA 3.47Å; F965-F1111 PolarHBondContact O-N 2.77Å
966I97.9Very high92.1Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-125.6111.3178-45.4178.7000108V753 A754 I755 I756 I769 I964 C968 F1111 V1113 I1131 I1135V753-I966 HydrophobicContact CG1-CD1 3.67Å; V753-I966 HydrophobicContact CG1-CG1 4.02Å; A754-I966 PolarHBondContact O-N 2.85Å; I755-I966 CarbonylContact C-O 3.54Å; I755-I966 WeakPolarHBondContact CA-O 3.38Å; I755-I966 HydrophobicContact CD1-CD1 4.14Å; I755-I966 HydrophobicContact CG1-CB 4.26Å; I755-I966 HydrophobicContact CG1-CD1 4.04Å; I755-I966 HydrophobicContact CG1-CG1 4.37Å; I755-I966 HydrophobicContact CG2-CB 4.47Å; I756-I966 PolarHBondContact N-O 3.39Å; I769-I966 HydrophobicContact CD1-CD1 3.79Å; I964-I966 HydrophobicContact CG2-CG1 4.13Å; I966-C968 VanDerWaalsContact CG2-SG 3.54Å; I966-C968 PolarHBondContact O-N 3.43Å; I966-F1111 CarbonylContact C-O 3.48Å; I966-F1111 WeakPolarHBondContact CA-O 3.44Å; I966-F1111 HydrophobicContact CG1-CB 4.39Å; I966-F1111 HydrophobicContact CG2-CB 4.21Å; I966-V1113 HydrophobicContact CG2-CG2 4.22Å; I966-I1131 HydrophobicContact CD1-CG2 3.85Å; I966-I1131 HydrophobicContact CG2-CG2 4.39Å; I966-I1135 HydrophobicContact CD1-CD1 3.73Å; I966-I1135 HydrophobicContact CG1-CD1 4.36Å
967N97.5Very high92.8Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-83.7105.2176-1771.6000109.9A969 S973 V976 S977 Y1110 F1111 V1113N967-A969 VanDerWaalsContact OD1-CB 3.31Å; N967-A969 WeakPolarHBondContact OD1-CB 3.49Å; N967-A969 PolarHBondContact OD1-N 3.17Å; N967-S973 PolarHBondContact ND2-O 2.74Å; N967-V976 HydrophobicContact CB-CG1 4.46Å; N967-S977 PolarHBondContact ND2-OG 2.79Å; N967-S977 VanDerWaalsContact ND2-OG 3.14Å; N967-Y1110 HydrophobicContact CB-CE1 4.25Å; N967-Y1110 HydrophobicContact CB-CE2 4.36Å; N967-Y1110 WeakPolarHBondContact CB-OH 3.24Å; N967-Y1110 PolarHBondContact ND2-OH 2.98Å; N967-Y1110 VanDerWaalsContact ND2-OH 3.1Å; N967-F1111 PolarHBondContact N-O 2.67Å; N967-V1113 PolarHBondContact O-N 2.73Å
968C96.6Very high93.1Very high6 Ų632.2 Ų32.24%0.04116%0.161CC..  trans-118.928.9176.6-58.40000110.7I755 I756 A761 I966 G970I755-C968 HydrophobicContact CG2-CB 4.25Å; I756-C968 CarbonylContact O-C 3.58Å; I756-C968 WeakPolarHBondContact O-CA 3.25Å; I756-C968 WeakPolarHBondContact O-CB 3.28Å; I756-C968 PolarHBondContact O-N 2.97Å; A761-C968 HydrophobicContact CB-CB 4.21Å; I966-C968 VanDerWaalsContact CG2-SG 3.54Å; I966-C968 PolarHBondContact O-N 3.43Å; C968-G970 PolarHBondContact O-N 3.18Å
969A94.9Very high93.5Very high12 Ų1227.3 Ų27.310%0.09915%0.145CC..  trans-78.414.5-170.100000113.9I756 N967 A971 W972 V976I756-A969 HydrophobicContact CG2-CB 4.32Å; I756-A969 PolarHBondContact O-N 2.81Å; I756-A969 VanDerWaalsContact O-N 3.11Å; N967-A969 VanDerWaalsContact OD1-CB 3.31Å; N967-A969 WeakPolarHBondContact OD1-CB 3.49Å; N967-A969 PolarHBondContact OD1-N 3.17Å; A969-A971 PolarHBondContact O-N 2.73Å; A969-W972 HydrophobicContact CB-CB 4.31Å; A969-W972 PolarHBondContact O-N 3.3Å; A969-V976 HydrophobicContact CB-CB 4.35Å; A969-V976 HydrophobicContact CB-CG2 3.75Å
970G92.2Very high93.4Very high18 Ų1825.2 Ų25.219%0.18613%0.132CC..G310 helixtrans52.7-123.8177.200000111.8C968 W972 S973 D1091C968-G970 PolarHBondContact O-N 3.18Å; G970-W972 PolarHBondContact O-N 3.2Å; G970-W972 VanDerWaalsContact O-N 3.16Å; G970-S973 PolarHBondContact N-OG 2.99Å; G970-S973 VanDerWaalsContact N-OG 3.16Å; G970-S973 WeakPolarHBondContact O-CB 3.32Å; G970-S973 PolarHBondContact O-N 3.18Å; G970-S973 PolarHBondContact O-OG 2.75Å; G970-D1091 VanDerWaalsContact C-CB 3.43Å
971A91.7Very high93.2Very high4 Ų425.7 Ų25.73%0.03314%0.137CC..G310 helixtrans-62.5-20.5-178.600000114A969 R997A969-A971 PolarHBondContact O-N 2.73Å; A971-R997 HydrophobicContact CB-CB 3.97Å
972W93.7Very high92.9Very high63 Ų6322.4 Ų22.424%0.23912%0.124CC..G310 helixtrans-94.77.2176.1-56.6-86.6000113N791 A969 G970 G974 E975 V976N791-W972 HydrophobicContact CB-CH2 3.6Å; N791-W972 HydrophobicContact CB-CZ2 3.83Å; N791-W972 VanDerWaalsContact O-CH2 3.32Å; N791-W972 WeakPolarHBondContact O-CH2 3.2Å; A969-W972 HydrophobicContact CB-CB 4.31Å; A969-W972 PolarHBondContact O-N 3.3Å; G970-W972 PolarHBondContact O-N 3.2Å; G970-W972 VanDerWaalsContact O-N 3.16Å; W972-G974 PolarHBondContact O-N 3.1Å; W972-E975 PolarHBondContact O-N 2.84Å; W972-V976 WeakPolarHBondContact O-CG2 3.28Å; W972-V976 PolarHBondContact O-N 3.04Å
973S94.4Very high92.4Very high1 Ų123.2 Ų23.21%0.00713%0.132CC..Hα-helixtrans-58.4-35.7-179.3-61.60000112.1N967 G970 S977N967-S973 PolarHBondContact ND2-O 2.74Å; G970-S973 PolarHBondContact N-OG 2.99Å; G970-S973 VanDerWaalsContact N-OG 3.16Å; G970-S973 WeakPolarHBondContact O-CB 3.32Å; G970-S973 PolarHBondContact O-N 3.18Å; G970-S973 PolarHBondContact O-OG 2.75Å; S973-S977 WeakPolarHBondContact O-CB 3Å; S973-S977 PolarHBondContact O-N 3.4Å; S973-S977 PolarHBondContact O-OG 2.99Å
974G92.2Very high92.1Very high9 Ų923.7 Ų23.79%0.09314%0.135CC..Hα-helixtrans-58.4-56.5172.500000112.4W972 V976 S977 E978W972-G974 PolarHBondContact O-N 3.1Å; G974-V976 VanDerWaalsContact C-N 3.34Å; G974-V976 PolarHBondContact O-N 3.15Å; G974-S977 CarbonylContact O-C 3.57Å; G974-S977 WeakPolarHBondContact O-CA 3.4Å; G974-S977 VanDerWaalsContact O-CB 3.27Å; G974-S977 WeakPolarHBondContact O-CB 3.32Å; G974-S977 PolarHBondContact O-N 3.05Å; G974-E978 PolarHBondContact O-N 3.03Å
975E92.8Very high91.2Very high65 Ų6523 Ų2330%0.30414%0.136SC..Hα-helixtrans-58.2-43.4179.6-62.6177.5-159.900112.3W972 S977 E978 M979 R997W972-E975 PolarHBondContact O-N 2.84Å; E975-S977 PolarHBondContact O-N 3.24Å; E975-E978 WeakPolarHBondContact O-CB 3.32Å; E975-E978 PolarHBondContact O-N 3.24Å; E975-M979 HydrophobicContact CB-CE 4.47Å; E975-M979 VanDerWaalsContact O-CG 3.3Å; E975-M979 WeakPolarHBondContact O-CG 3.38Å; E975-M979 PolarHBondContact O-N 3.49Å; E975-R997 IonicContact OE1-CZ 3.51Å; E975-R997 IonicContact OE1-NH1 2.88Å; E975-R997 PolarHBondContact OE1-NH1 3.17Å; E975-R997 IonicContact OE1-NH2 3.22Å; E975-R997 PolarHBondContact OE1-NH2 2.67Å
976V94.7Very high90.2Very high11 Ų1125.7 Ų25.77%0.06715%0.153CC..Hα-helixtrans-64.8-32.3176.2173.10000111.4I756 F919 N967 A969 W972 G974 A980I756-V976 HydrophobicContact CB-CG1 4.49Å; I756-V976 HydrophobicContact CD1-CG1 3.85Å; I756-V976 HydrophobicContact CG2-CG1 3.98Å; I756-V976 HydrophobicContact CG2-CG2 4.14Å; F919-V976 HydrophobicContact CE2-CG1 4.22Å; F919-V976 HydrophobicContact CZ-CG1 4.23Å; N967-V976 HydrophobicContact CB-CG1 4.46Å; A969-V976 HydrophobicContact CB-CB 4.35Å; A969-V976 HydrophobicContact CB-CG2 3.75Å; W972-V976 WeakPolarHBondContact O-CG2 3.28Å; W972-V976 PolarHBondContact O-N 3.04Å; G974-V976 VanDerWaalsContact C-N 3.34Å; G974-V976 PolarHBondContact O-N 3.15Å; V976-A980 PolarHBondContact O-N 3.06Å
977S93.4Very high89.3Confident0 Ų029.5 Ų29.50%017%0.171CC..Hα-helixtrans-70.1-41.7175-55.40000110.8N967 S973 G974 E975 M979 A980 G981 F982 H1112N967-S977 PolarHBondContact ND2-OG 2.79Å; N967-S977 VanDerWaalsContact ND2-OG 3.14Å; S973-S977 WeakPolarHBondContact O-CB 3Å; S973-S977 PolarHBondContact O-N 3.4Å; S973-S977 PolarHBondContact O-OG 2.99Å; G974-S977 CarbonylContact O-C 3.57Å; G974-S977 WeakPolarHBondContact O-CA 3.4Å; G974-S977 VanDerWaalsContact O-CB 3.27Å; G974-S977 WeakPolarHBondContact O-CB 3.32Å; G974-S977 PolarHBondContact O-N 3.05Å; E975-S977 PolarHBondContact O-N 3.24Å; S977-M979 VanDerWaalsContact C-N 3.33Å; S977-M979 PolarHBondContact O-N 2.99Å; S977-A980 CarbonylContact O-C 3.55Å; S977-A980 WeakPolarHBondContact O-CA 3.25Å; S977-A980 WeakPolarHBondContact O-CB 3.03Å; S977-A980 PolarHBondContact O-N 2.92Å; S977-G981 PolarHBondContact O-N 2.95Å; S977-G981 VanDerWaalsContact O-N 3.13Å; S977-F982 CarbonylContact C-O 2.93Å; S977-F982 WeakPolarHBondContact O-CB 3.33Å; S977-F982 WeakPolarHBondContact O-CD2 3.44Å; S977-F982 PolarHBondContact O-N 3.24Å; S977-H1112 PolarHBondContact OG-CE1 3.3Å; S977-H1112 VanDerWaalsContact OG-CE1 3.28Å
978E92.8Very high88.1Confident94 Ų9431.3 Ų31.344%0.43918%0.18SC..Hα-helixtrans-59.9-42.5173.8-67.3176.5177.800112G974 E975 A980 G981 F982 V984G974-E978 PolarHBondContact O-N 3.03Å; E975-E978 WeakPolarHBondContact O-CB 3.32Å; E975-E978 PolarHBondContact O-N 3.24Å; E978-A980 PolarHBondContact O-N 3.44Å; E978-G981 WeakPolarHBondContact O-CA 3.41Å; E978-G981 PolarHBondContact O-N 2.67Å; E978-F982 WeakPolarHBondContact CA-O 3.45Å; E978-F982 WeakPolarHBondContact CG-O 3.43Å; E978-F982 PolarHBondContact N-O 2.95Å; E978-V984 HydrophobicContact CB-CG1 4.22Å; E978-V984 HydrophobicContact CB-CG2 4.46Å; E978-V984 HydrophobicContact CG-CG1 4.1Å; E978-V984 WeakPolarHBondContact O-CG2 3.27Å
979M93.8Very high87.3Confident54 Ų5431.2 Ų31.227%0.26618%0.18SC..Hα-helixtrans-59.8-32.7173.4-69.1173.1-163.400113V916 F919 E975 S977V916-M979 HydrophobicContact CG1-SD 4.18Å; F919-M979 HydrophobicContact CD2-CB 4.12Å; F919-M979 HydrophobicContact CE2-CB 4.19Å; E975-M979 HydrophobicContact CB-CE 4.47Å; E975-M979 VanDerWaalsContact O-CG 3.3Å; E975-M979 WeakPolarHBondContact O-CG 3.38Å; E975-M979 PolarHBondContact O-N 3.49Å; S977-M979 VanDerWaalsContact C-N 3.33Å; S977-M979 PolarHBondContact O-N 2.99Å
980A89.8Confident86.7Confident0 Ų033.6 Ų33.60%020%0.196CC..THydrogen-bonded Turntrans-82.5-0.1174.100000113.5F919 W921 L943 V976 S977 E978 F982 Y1110F919-A980 VanDerWaalsContact CD2-CA 3.47Å; F919-A980 HydrophobicContact CD2-CB 3.59Å; F919-A980 HydrophobicContact CE2-CB 3.64Å; F919-A980 HydrophobicContact CG-CB 4.03Å; F919-A980 HydrophobicContact CZ-CB 4.1Å; W921-A980 WeakPolarHBondContact CZ2-O 3.47Å; W921-A980 PolarHBondContact NE1-O 3.27Å; L943-A980 HydrophobicContact CD1-CB 4.09Å; L943-A980 HydrophobicContact CD2-CB 4.16Å; V976-A980 PolarHBondContact O-N 3.06Å; S977-A980 CarbonylContact O-C 3.55Å; S977-A980 WeakPolarHBondContact O-CA 3.25Å; S977-A980 WeakPolarHBondContact O-CB 3.03Å; S977-A980 PolarHBondContact O-N 2.92Å; E978-A980 PolarHBondContact O-N 3.44Å; A980-F982 HydrophobicContact CB-CD2 3.65Å; A980-F982 HydrophobicContact CB-CE2 3.34Å; A980-F982 HydrophobicContact CB-CZ 4.37Å; A980-Y1110 HydrophobicContact CB-CE2 4.18Å
981G86.1Confident86.3Confident12 Ų1236.1 Ų36.112%0.12420%0.204CC..THydrogen-bonded Turntrans94.410.3176.400000114.9S977 E978 G985 L989S977-G981 PolarHBondContact O-N 2.95Å; S977-G981 VanDerWaalsContact O-N 3.13Å; E978-G981 WeakPolarHBondContact O-CA 3.41Å; E978-G981 PolarHBondContact O-N 2.67Å; G981-G985 PolarHBondContact O-N 2.58Å; G981-L989 WeakPolarHBondContact O-CB 3.37Å
982F84.7Confident85.9Confident4 Ų440.2 Ų40.22%0.01823%0.23CC..THydrogen-bonded Turntrans-95.3132.5178-46.9-70.8000111.9S977 E978 A980 L989 H1104 Y1107 Y1110S977-F982 CarbonylContact C-O 2.93Å; S977-F982 WeakPolarHBondContact O-CB 3.33Å; S977-F982 WeakPolarHBondContact O-CD2 3.44Å; S977-F982 PolarHBondContact O-N 3.24Å; E978-F982 WeakPolarHBondContact CA-O 3.45Å; E978-F982 WeakPolarHBondContact CG-O 3.43Å; E978-F982 PolarHBondContact N-O 2.95Å; A980-F982 HydrophobicContact CB-CD2 3.65Å; A980-F982 HydrophobicContact CB-CE2 3.34Å; A980-F982 HydrophobicContact CB-CZ 4.37Å; F982-L989 CarbonylContact C-O 3.55Å; F982-L989 HydrophobicContact CD1-CD2 3.46Å; F982-L989 VanDerWaalsContact CD1-CD2 3.46Å; F982-L989 HydrophobicContact CE1-CD2 3.78Å; F982-H1104 AromaticContact CD1-CD2 3.69Å; F982-H1104 AromaticContact CD1-CE1 3.39Å; F982-H1104 WeakPolarHBondContact CD1-CE1 3.21Å; F982-H1104 AromaticContact CD1-NE2 3.07Å; F982-H1104 WeakPolarHBondContact CD1-NE2 3.34Å; F982-H1104 AromaticContact CE1-CD2 3.38Å; F982-H1104 WeakPolarHBondContact CE1-CD2 3.31Å; F982-H1104 AromaticContact CE1-CE1 2.98Å; F982-H1104 WeakPolarHBondContact CE1-CE1 3.44Å; F982-H1104 AromaticContact CE1-CG 3.57Å; F982-H1104 AromaticContact CE1-ND1 3.34Å; F982-H1104 VanDerWaalsContact CE1-ND1 3.34Å; F982-H1104 WeakPolarHBondContact CE1-ND1 3.48Å; F982-H1104 AromaticContact CE1-NE2 3.04Å; F982-H1104 WeakPolarHBondContact CE1-NE2 3.41Å; F982-H1104 AromaticContact CG-NE2 3.92Å; F982-H1104 AromaticContact CZ-CD2 3.73Å; F982-H1104 AromaticContact CZ-CE1 3.94Å; F982-H1104 AromaticContact CZ-CG 3.76Å; F982-H1104 AromaticContact CZ-ND1 3.89Å; F982-H1104 AromaticContact CZ-NE2 3.9Å; F982-Y1107 HydrophobicContact CD1-CD2 4.27Å; F982-Y1107 AromaticContact CD1-CE2 3.96Å; F982-Y1107 HydrophobicContact CD1-CE2 3.96Å; F982-Y1107 AromaticContact CE1-CD2 3.03Å; F982-Y1107 HydrophobicContact CE1-CD2 3.03Å; F982-Y1107 AromaticContact CE1-CE2 3.05Å; F982-Y1107 HydrophobicContact CE1-CE2 3.05Å; F982-Y1107 HydrophobicContact CE1-CG 4.34Å; F982-Y1107 HydrophobicContact CE2-CD2 4.25Å; F982-Y1107 HydrophobicContact CE2-CE2 4.32Å; F982-Y1107 AromaticContact CZ-CD2 3.04Å; F982-Y1107 HydrophobicContact CZ-CD2 3.04Å; F982-Y1107 AromaticContact CZ-CE2 3.32Å; F982-Y1107 HydrophobicContact CZ-CE2 3.32Å; F982-Y1107 HydrophobicContact CZ-CG 4.22Å; F982-Y1110 HydrophobicContact CD2-CD1 4.37Å; F982-Y1110 AromaticContact CD2-CE1 3.84Å; F982-Y1110 HydrophobicContact CD2-CE1 3.84Å; F982-Y1110 AromaticContact CE2-CD1 3.35Å; F982-Y1110 HydrophobicContact CE2-CD1 3.35Å; F982-Y1110 HydrophobicContact CE2-CD2 4.43Å; F982-Y1110 AromaticContact CE2-CE1 3.14Å; F982-Y1110 HydrophobicContact CE2-CE1 3.14Å; F982-Y1110 HydrophobicContact CE2-CE2 4.34Å; F982-Y1110 HydrophobicContact CE2-CG 4.01Å; F982-Y1110 AromaticContact CE2-CZ 3.72Å; F982-Y1110 AromaticContact CZ-CD1 3.53Å; F982-Y1110 HydrophobicContact CZ-CD1 3.53Å; F982-Y1110 AromaticContact CZ-CE1 3.83Å; F982-Y1110 HydrophobicContact CZ-CE1 3.83Å; F982-Y1110 HydrophobicContact CZ-CG 4.04Å
983G81.7Confident85.8Confident18 Ų1838 Ų3819%0.18622%0.222CC..THydrogen-bonded Turntrans88.6-20-171.200000113.9L989 I991G983-L989 CarbonylContact C-O 3.24Å; G983-L989 WeakPolarHBondContact CA-O 3.21Å; G983-L989 PolarHBondContact N-O 2.88Å; G983-I991 VanDerWaalsContact CA-O 3.3Å; G983-I991 WeakPolarHBondContact CA-O 3.5Å; G983-I991 PolarHBondContact N-O 3.36Å
984V82.7Confident85.6Confident95 Ų9538.5 Ų38.558%0.57623%0.226SC*.THydrogen-bonded Turntrans-123.3-8.9-177.6-64.20000113.9E978 L989E978-V984 HydrophobicContact CB-CG1 4.22Å; E978-V984 HydrophobicContact CB-CG2 4.46Å; E978-V984 HydrophobicContact CG-CG1 4.1Å; E978-V984 WeakPolarHBondContact O-CG2 3.27Å; V984-L989 PolarHBondContact N-O 2.98Å
985G75.5Confident85.6Confident17 Ų1738.2 Ų38.218%0.17522%0.222CC..SBendtrans-82.8-179.2-17800000113.4G981 L989 S990G981-G985 PolarHBondContact O-N 2.58Å; G985-L989 PolarHBondContact N-O 3.11Å; G985-L989 CarbonylContact O-C 3.56Å; G985-S990 WeakPolarHBondContact O-CA 3.33Å; G985-S990 WeakPolarHBondContact O-CB 3.2Å; G985-S990 PolarHBondContact O-N 2.95Å
986P75.7Confident85.5Confident57 Ų5737 Ų3737%0.3722%0.219SC..SBendtrans-73.6153.8176.730.6-37.3000113.1W938 L988 L989W938-P986 HydrophobicContact CB-CG 3.76Å; W938-P986 HydrophobicContact CD2-CG 3.98Å; W938-P986 HydrophobicContact CG-CG 3.36Å; P986-L988 PolarHBondContact O-N 3.34Å; P986-L988 VanDerWaalsContact O-N 3.1Å; P986-L989 WeakPolarHBondContact O-CB 3.49Å; P986-L989 PolarHBondContact O-N 3.2Å
987E78.4Confident85.4Confident79 Ų7941.6 Ų41.637%0.36924%0.235SC..G310 helixtrans50.1-109.2176.8-57.7-178.1-153.800113.7W938 R939 L989 S990W938-E987 HydrophobicContact CH2-CB 4.46Å; W938-E987 HydrophobicContact CZ2-CB 3.68Å; W938-E987 HydrophobicContact CZ2-CG 4.12Å; W938-E987 WeakPolarHBondContact CZ2-OE2 3.35Å; R939-E987 IonicContact CZ-OE1 2.6Å; R939-E987 IonicContact CZ-OE2 2.72Å; R939-E987 IonicContact NE-OE1 2.76Å; R939-E987 IonicContact NE-OE2 3.5Å; R939-E987 IonicContact NH2-OE1 3.79Å; R939-E987 PolarHBondContact NH2-OE1 3.1Å; R939-E987 IonicContact NH2-OE2 3.87Å; R939-E987 PolarHBondContact NH2-OE2 3.18Å; E987-L989 VanDerWaalsContact C-N 3.34Å; E987-S990 VanDerWaalsContact O-CB 3.24Å; E987-S990 WeakPolarHBondContact O-CB 3.47Å; E987-S990 PolarHBondContact O-N 3.37Å; E987-S990 VanDerWaalsContact O-N 3.1Å; E987-S990 PolarHBondContact O-OG 3.21Å
988L72.8Confident85.3Confident38 Ų3843.1 Ų43.120%0.19924%0.241CC..G310 helixtrans-82.9-19-174.7-64.4154.8000112.4V678 F680 W938 P986 S990 I991 F1106 L1154V678-L988 HydrophobicContact CB-CD1 3.74Å; V678-L988 HydrophobicContact CG1-CD1 3.08Å; V678-L988 HydrophobicContact CG2-CD1 3.28Å; V678-L988 HydrophobicContact CG2-CG 4.44Å; F680-L988 HydrophobicContact CZ-CD1 4.33Å; W938-L988 HydrophobicContact CH2-CB 4.29Å; P986-L988 PolarHBondContact O-N 3.34Å; P986-L988 VanDerWaalsContact O-N 3.1Å; L988-S990 PolarHBondContact O-N 2.88Å; L988-I991 HydrophobicContact CB-CD1 4.42Å; L988-I991 HydrophobicContact CD2-CD1 3.62Å; L988-I991 WeakPolarHBondContact O-CB 3.49Å; L988-I991 PolarHBondContact O-N 3.1Å; L988-F1106 HydrophobicContact CB-CD2 4.46Å; L988-F1106 HydrophobicContact CB-CE2 3.47Å; L988-F1106 VanDerWaalsContact CB-CE2 3.47Å; L988-F1106 HydrophobicContact CB-CZ 3.52Å; L988-F1106 HydrophobicContact CD1-CE1 3.92Å; L988-F1106 HydrophobicContact CD1-CE2 4.12Å; L988-F1106 HydrophobicContact CD1-CZ 3.27Å; L988-F1106 HydrophobicContact CG-CE2 4.36Å; L988-F1106 HydrophobicContact CG-CZ 3.96Å; L988-L1154 HydrophobicContact CD2-CD2 4.2Å
989L79.2Confident85.2Confident5 Ų539 Ų393%0.02622%0.221CC..G310 helixtrans-71.9-8.9165.6-64.9-179.2000111.6W938 G981 F982 G983 V984 G985 P986 E987 I991 Y1107W938-L989 HydrophobicContact CB-CD1 4.16Å; W938-L989 HydrophobicContact CD2-CD1 3.92Å; W938-L989 HydrophobicContact CD2-CG 4.34Å; W938-L989 HydrophobicContact CE3-CD1 3.29Å; W938-L989 HydrophobicContact CE3-CD2 4.47Å; W938-L989 HydrophobicContact CE3-CG 3.54Å; W938-L989 HydrophobicContact CG-CD1 4.33Å; W938-L989 HydrophobicContact CH2-CG 4.48Å; W938-L989 HydrophobicContact CZ3-CD1 3.93Å; W938-L989 HydrophobicContact CZ3-CD2 4.34Å; W938-L989 HydrophobicContact CZ3-CG 3.61Å; G981-L989 WeakPolarHBondContact O-CB 3.37Å; F982-L989 CarbonylContact C-O 3.55Å; F982-L989 HydrophobicContact CD1-CD2 3.46Å; F982-L989 VanDerWaalsContact CD1-CD2 3.46Å; F982-L989 HydrophobicContact CE1-CD2 3.78Å; G983-L989 CarbonylContact C-O 3.24Å; G983-L989 WeakPolarHBondContact CA-O 3.21Å; G983-L989 PolarHBondContact N-O 2.88Å; V984-L989 PolarHBondContact N-O 2.98Å; G985-L989 PolarHBondContact N-O 3.11Å; G985-L989 CarbonylContact O-C 3.56Å; P986-L989 WeakPolarHBondContact O-CB 3.49Å; P986-L989 PolarHBondContact O-N 3.2Å; E987-L989 VanDerWaalsContact C-N 3.34Å; L989-I991 VanDerWaalsContact C-N 3.32Å; L989-Y1107 WeakPolarHBondContact CD1-OH 3.33Å; L989-Y1107 HydrophobicContact CD2-CE2 3.88Å
990S83.6Confident85.2Confident62 Ų6237.2 Ų37.243%0.43421%0.212SC..G310 helixtrans-85.3-7.1172.6960000112.5G985 E987 L988 P992G985-S990 WeakPolarHBondContact O-CA 3.33Å; G985-S990 WeakPolarHBondContact O-CB 3.2Å; G985-S990 PolarHBondContact O-N 2.95Å; E987-S990 VanDerWaalsContact O-CB 3.24Å; E987-S990 WeakPolarHBondContact O-CB 3.47Å; E987-S990 PolarHBondContact O-N 3.37Å; E987-S990 VanDerWaalsContact O-N 3.1Å; E987-S990 PolarHBondContact O-OG 3.21Å; L988-S990 PolarHBondContact O-N 2.88Å; S990-P992 VanDerWaalsContact O-CD 3.25Å; S990-P992 WeakPolarHBondContact O-CD 3.48Å
991I82.8Confident85.3Confident70 Ų7037.6 Ų37.636%0.35921%0.213SC..SBendtrans-71.7117.9176.9-64.2174.3000107.1G983 L988 L989 F993 L1154G983-I991 VanDerWaalsContact CA-O 3.3Å; G983-I991 WeakPolarHBondContact CA-O 3.5Å; G983-I991 PolarHBondContact N-O 3.36Å; L988-I991 HydrophobicContact CB-CD1 4.42Å; L988-I991 HydrophobicContact CD2-CD1 3.62Å; L988-I991 WeakPolarHBondContact O-CB 3.49Å; L988-I991 PolarHBondContact O-N 3.1Å; L989-I991 VanDerWaalsContact C-N 3.32Å; I991-F993 PolarHBondContact O-N 3.36Å; I991-L1154 HydrophobicContact CD1-CD2 3.58Å
992P83.5Confident85.7Confident91 Ų9137 Ų3759%0.59121%0.207SC*.PPolyproline II helixtrans-56.3138.4178.6-25.435.8000111S990S990-P992 VanDerWaalsContact O-CD 3.25Å; S990-P992 WeakPolarHBondContact O-CD 3.48Å
993F90.8Very high86.3Confident15 Ų1536.9 Ų36.97%0.06621%0.207CC..PPolyproline II helixtrans-70.2124.5172.3-164.3-104.8000108.1I991 I995 I1100 H1112 L1150I991-F993 PolarHBondContact O-N 3.36Å; F993-I995 HydrophobicContact CD1-CB 3.91Å; F993-I995 HydrophobicContact CD1-CD1 4.36Å; F993-I995 HydrophobicContact CD1-CG1 4.19Å; F993-I995 HydrophobicContact CE1-CB 3.78Å; F993-I995 HydrophobicContact CE1-CD1 3.4Å; F993-I995 VanDerWaalsContact CE1-CD1 3.4Å; F993-I995 HydrophobicContact CE1-CG1 3.7Å; F993-I995 HydrophobicContact CZ-CD1 3.85Å; F993-I995 HydrophobicContact CZ-CG1 4.42Å; F993-I995 PolarHBondContact O-N 3.36Å; F993-I995 VanDerWaalsContact O-N 3.09Å; F993-I1100 HydrophobicContact CE2-CD1 4.44Å; F993-I1100 HydrophobicContact CZ-CD1 4.14Å; F993-I1100 HydrophobicContact CZ-CG2 4.41Å; F993-H1112 AromaticContact CE1-ND1 3.99Å; F993-H1112 AromaticContact CE2-CD2 3.83Å; F993-H1112 AromaticContact CE2-CE1 3.27Å; F993-H1112 WeakPolarHBondContact CE2-CE1 3.06Å; F993-H1112 AromaticContact CE2-CG 3.95Å; F993-H1112 AromaticContact CE2-ND1 3.66Å; F993-H1112 AromaticContact CE2-NE2 3.39Å; F993-H1112 WeakPolarHBondContact CE2-NE2 3.2Å; F993-H1112 HydrophobicContact CZ-CB 4.33Å; F993-H1112 AromaticContact CZ-CE1 3.29Å; F993-H1112 WeakPolarHBondContact CZ-CE1 3.16Å; F993-H1112 AromaticContact CZ-CG 3.65Å; F993-H1112 AromaticContact CZ-ND1 3.2Å; F993-H1112 WeakPolarHBondContact CZ-ND1 3.1Å; F993-H1112 AromaticContact CZ-NE2 3.82Å; F993-L1150 HydrophobicContact CD2-CD1 4.21Å; F993-L1150 HydrophobicContact CD2-CD2 4.18Å; F993-L1150 HydrophobicContact CE2-CD1 3.82Å; F993-L1150 HydrophobicContact CE2-CD2 3.87Å; F993-L1150 HydrophobicContact CE2-CG 4.49Å
994P90.9Very high86.9Confident12 Ų1237.2 Ų37.28%0.07820%0.204CC..SBendtrans-80.83.5-162.538.3-43.9000113.5N1093 E1094 I1100 L1150 M1153P994-N1093 VanDerWaalsContact CB-OD1 3.27Å; P994-N1093 WeakPolarHBondContact CB-OD1 3.4Å; P994-N1093 VanDerWaalsContact CG-OD1 3.31Å; P994-N1093 WeakPolarHBondContact CG-OD1 3.21Å; P994-N1093 WeakPolarHBondContact O-CA 3.36Å; P994-E1094 PolarHBondContact O-N 2.61Å; P994-I1100 HydrophobicContact CG-CD1 3.43Å; P994-I1100 VanDerWaalsContact CG-CD1 3.43Å; P994-L1150 HydrophobicContact CG-CD1 4.49Å; P994-M1153 HydrophobicContact CB-CE 3.76Å; P994-M1153 HydrophobicContact CB-SD 4.32Å; P994-M1153 HydrophobicContact CG-CE 3.66Å; P994-M1153 HydrophobicContact CG-SD 3.58Å; P994-M1153 VanDerWaalsContact CG-SD 3.58Å
995I93.1Very high87.5Confident4 Ų432.7 Ų32.72%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-90.7112.9179.8-61173.3000108.4F993 D1091 V1092 N1093 I1100 G1115F993-I995 HydrophobicContact CD1-CB 3.91Å; F993-I995 HydrophobicContact CD1-CD1 4.36Å; F993-I995 HydrophobicContact CD1-CG1 4.19Å; F993-I995 HydrophobicContact CE1-CB 3.78Å; F993-I995 HydrophobicContact CE1-CD1 3.4Å; F993-I995 VanDerWaalsContact CE1-CD1 3.4Å; F993-I995 HydrophobicContact CE1-CG1 3.7Å; F993-I995 HydrophobicContact CZ-CD1 3.85Å; F993-I995 HydrophobicContact CZ-CG1 4.42Å; F993-I995 PolarHBondContact O-N 3.36Å; F993-I995 VanDerWaalsContact O-N 3.09Å; I995-D1091 HydrophobicContact CG2-CB 4.03Å; I995-V1092 CarbonylContact C-O 3.58Å; I995-V1092 VanDerWaalsContact CA-O 3.31Å; I995-V1092 WeakPolarHBondContact CA-O 3.49Å; I995-N1093 HydrophobicContact CG1-CB 4.39Å; I995-I1100 HydrophobicContact CD1-CB 4.12Å; I995-I1100 HydrophobicContact CD1-CD1 3.81Å; I995-I1100 HydrophobicContact CD1-CG1 4.34Å; I995-I1100 HydrophobicContact CG1-CD1 3.93Å; I995-G1115 VanDerWaalsContact CD1-N 3.34Å
996V90.6Very high88.4Confident39 Ų3934.6 Ų34.624%0.23618%0.181CC..EExtended strand (participates in β ladder)trans-116.6154.6180-62.60000110.7R998 V1092 E1094V996-R998 HydrophobicContact CG2-CG 3.89Å; V996-V1092 HydrophobicContact CG2-CB 4.32Å; V996-V1092 PolarHBondContact N-O 2.81Å; V996-V1092 PolarHBondContact O-N 3Å; V996-E1094 HydrophobicContact CG1-CG 4.49Å; V996-E1094 HydrophobicContact CG2-CG 3.63Å; V996-E1094 WeakPolarHBondContact CG2-OE1 3.2Å
997R91Very high89.3Confident107 Ų10732 Ų3240%0.40416%0.164SC..EExtended strand (participates in β ladder)trans-77.6123.6168.760.6177.5167-136-13.5109.4A971 E975 Y1089A971-R997 HydrophobicContact CB-CB 3.97Å; E975-R997 IonicContact OE1-CZ 3.51Å; E975-R997 IonicContact OE1-NH1 2.88Å; E975-R997 PolarHBondContact OE1-NH1 3.17Å; E975-R997 IonicContact OE1-NH2 3.22Å; E975-R997 PolarHBondContact OE1-NH2 2.67Å; R997-Y1089 HydrophobicContact CB-CD1 4.06Å; R997-Y1089 HydrophobicContact CB-CG 4.32Å
998R91.5Very high89.7Confident33 Ų3331.8 Ų31.813%0.12517%0.17CC..EExtended strand (participates in β ladder)trans-125.1128.1171.2-64.3-70.3-172.9151.70.2109.4V996 D1047 D1048 H1052 A1090 V1092 E1094V996-R998 HydrophobicContact CG2-CG 3.89Å; R998-D1047 WeakPolarHBondContact CD-OD2 3.2Å; R998-D1047 IonicContact CZ-OD2 2.76Å; R998-D1047 IonicContact NE-OD2 2.67Å; R998-D1047 IonicContact NH1-OD2 2.81Å; R998-D1048 IonicContact CZ-OD1 3.41Å; R998-D1048 IonicContact NH1-OD1 3.53Å; R998-D1048 PolarHBondContact NH1-OD1 3Å; R998-D1048 IonicContact NH2-OD1 3.84Å; R998-H1052 WeakPolarHBondContact CD-NE2 3.49Å; R998-H1052 PolarHBondContact NH1-NE2 3.41Å; R998-A1090 PolarHBondContact N-O 2.67Å; R998-A1090 PolarHBondContact O-N 2.76Å; R998-V1092 HydrophobicContact CB-CB 4.36Å; R998-V1092 HydrophobicContact CB-CG2 3.79Å; R998-V1092 HydrophobicContact CG-CB 3.92Å; R998-V1092 HydrophobicContact CG-CG1 4.47Å; R998-V1092 HydrophobicContact CG-CG2 3.9Å; R998-E1094 IonicContact CZ-OE1 3.51Å; R998-E1094 IonicContact NE-OE1 3.16Å; R998-E1094 PolarHBondContact NE-OE1 2.63Å; R998-E1094 IonicContact NH2-OE1 2.99Å; R998-E1094 PolarHBondContact NH2-OE1 3.2Å
999K92Very high90.5Very high7 Ų735.4 Ų35.43%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-69.8133.6178.3-177.3165.969.4-179.50110.1Y1001 V1050 D1051 H1052 N1054 L1055 D1056 A1087 Y1088 Y1089K999-Y1001 HydrophobicContact CD-CE1 4.07Å; K999-Y1001 WeakPolarHBondContact CE-OH 3.2Å; K999-Y1001 HydrophobicContact CG-CE1 4.33Å; K999-Y1001 PolarHBondContact NZ-OH 3.21Å; K999-V1050 HydrophobicContact CB-CG1 4.3Å; K999-D1051 WeakPolarHBondContact CE-O 3.39Å; K999-D1051 PolarHBondContact NZ-O 3.42Å; K999-H1052 PolarHBondContact N-ND1 2.8Å; K999-H1052 VanDerWaalsContact N-ND1 3.11Å; K999-N1054 WeakPolarHBondContact CD-O 3.45Å; K999-N1054 PolarHBondContact NZ-O 3Å; K999-N1054 PolarHBondContact NZ-OD1 3.39Å; K999-L1055 HydrophobicContact CD-CD2 4.46Å; K999-L1055 HydrophobicContact CG-CD2 4.4Å; K999-D1056 PolarHBondContact NZ-O 2.89Å; K999-A1087 HydrophobicContact CD-CB 3.83Å; K999-A1087 HydrophobicContact CG-CB 3.92Å; K999-Y1088 WeakPolarHBondContact CA-O 3.22Å; K999-Y1089 HydrophobicContact CB-CE1 4.4Å
1000R92.5Very high90.8Very high16 Ų1635.9 Ų35.96%0.0620%0.195CC..EExtended strand (participates in β ladder)trans-127.7160.2172.1-58.7-63.3173-114.26108.8P1041 D1047 A1087 Y1088 A1090R1000-P1041 VanDerWaalsContact NH2-CG 3.34Å; R1000-D1047 IonicContact CZ-OD1 2.93Å; R1000-D1047 IonicContact CZ-OD2 3.24Å; R1000-D1047 IonicContact NH1-OD1 3.08Å; R1000-D1047 PolarHBondContact NH1-OD1 3.35Å; R1000-D1047 IonicContact NH1-OD2 3.91Å; R1000-D1047 PolarHBondContact NH1-OD2 2.9Å; R1000-D1047 IonicContact NH2-OD1 2.73Å; R1000-D1047 IonicContact NH2-OD2 3.85Å; R1000-D1047 PolarHBondContact NH2-OD2 3.37Å; R1000-A1087 CarbonylContact O-C 3.57Å; R1000-A1087 WeakPolarHBondContact O-CA 3.37Å; R1000-Y1088 HydrophobicContact CB-CD1 4.27Å; R1000-Y1088 HydrophobicContact CB-CD2 4.27Å; R1000-Y1088 HydrophobicContact CB-CE1 3.74Å; R1000-Y1088 HydrophobicContact CB-CE2 3.75Å; R1000-Y1088 VanDerWaalsContact CB-CZ 3.45Å; R1000-Y1088 HydrophobicContact CG-CE2 4.25Å; R1000-Y1088 PolarHBondContact N-O 3.22Å; R1000-Y1088 PolarHBondContact O-N 2.94Å; R1000-A1090 HydrophobicContact CG-CB 3.85Å
1001Y93.2Very high90.9Very high9 Ų934.9 Ų34.94%0.03519%0.187CC..EExtended strand (participates in β ladder)trans-118.5142.8-179.8-58.4-70.4000110.6K999 F1003 V1050 V1057 D1058 F1061 A1087K999-Y1001 HydrophobicContact CD-CE1 4.07Å; K999-Y1001 WeakPolarHBondContact CE-OH 3.2Å; K999-Y1001 HydrophobicContact CG-CE1 4.33Å; K999-Y1001 PolarHBondContact NZ-OH 3.21Å; Y1001-F1003 HydrophobicContact CG-CE2 4.06Å; Y1001-F1003 HydrophobicContact CG-CZ 4.2Å; Y1001-V1050 HydrophobicContact CE2-CG1 4.3Å; Y1001-V1057 HydrophobicContact CD1-CG1 4.4Å; Y1001-D1058 WeakPolarHBondContact OH-CB 3.21Å; Y1001-F1061 HydrophobicContact CD2-CB 4.41Å; Y1001-F1061 AromaticContact CD2-CD1 3.62Å; Y1001-F1061 HydrophobicContact CD2-CD1 3.62Å; Y1001-F1061 AromaticContact CD2-CE1 3.99Å; Y1001-F1061 HydrophobicContact CD2-CE1 3.99Å; Y1001-F1061 AromaticContact CD2-CG 3.96Å; Y1001-F1061 HydrophobicContact CD2-CG 3.96Å; Y1001-F1061 HydrophobicContact CE2-CB 4.12Å; Y1001-F1061 HydrophobicContact CE2-CD1 4.02Å; Y1001-F1061 HydrophobicContact CE2-CD2 4.23Å; Y1001-F1061 AromaticContact CE2-CG 3.85Å; Y1001-F1061 HydrophobicContact CE2-CG 3.85Å; Y1001-A1087 HydrophobicContact CD1-CB 3.77Å; Y1001-A1087 HydrophobicContact CE1-CB 3.9Å
1002A94.3Very high90.7Very high0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-121.6127165.400000108.3P798 W1025 C1037 A1085 W1086 Y1088P798-A1002 HydrophobicContact CG-CB 4.26Å; A1002-W1025 HydrophobicContact CB-CH2 4.39Å; A1002-C1037 WeakPolarHBondContact CA-O 3.48Å; A1002-A1085 VanDerWaalsContact O-CA 3.27Å; A1002-A1085 WeakPolarHBondContact O-CA 3.35Å; A1002-W1086 HydrophobicContact CB-CD2 4.07Å; A1002-W1086 HydrophobicContact CB-CH2 4.11Å; A1002-W1086 HydrophobicContact CB-CZ2 3.55Å; A1002-W1086 PolarHBondContact N-O 3.44Å; A1002-W1086 PolarHBondContact O-N 3.35Å; A1002-Y1088 HydrophobicContact CB-CE1 4.19Å
1003F96.4Very high90.1Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-115.4132.1178-63.1-91000109Y1001 M1036 C1037 V1057 Y1059 F1062 I1066 I1082 A1085Y1001-F1003 HydrophobicContact CG-CE2 4.06Å; Y1001-F1003 HydrophobicContact CG-CZ 4.2Å; F1003-M1036 CarbonylContact O-C 3.59Å; F1003-M1036 VanDerWaalsContact O-CA 3.31Å; F1003-M1036 WeakPolarHBondContact O-CA 3.45Å; F1003-C1037 PolarHBondContact N-O 3.38Å; F1003-C1037 PolarHBondContact O-N 3.17Å; F1003-V1057 HydrophobicContact CE1-CG1 3.93Å; F1003-V1057 HydrophobicContact CZ-CG1 4.23Å; F1003-Y1059 HydrophobicContact CE1-CD1 4.18Å; F1003-Y1059 HydrophobicContact CE1-CE1 4.49Å; F1003-F1062 HydrophobicContact CB-CD2 4.02Å; F1003-F1062 HydrophobicContact CB-CE2 4.21Å; F1003-F1062 HydrophobicContact CD1-CB 4.21Å; F1003-F1062 HydrophobicContact CD1-CD2 4.02Å; F1003-F1062 HydrophobicContact CD1-CG 4.34Å; F1003-F1062 HydrophobicContact CD2-CB 4.41Å; F1003-F1062 AromaticContact CD2-CD2 3.78Å; F1003-F1062 HydrophobicContact CD2-CD2 3.78Å; F1003-F1062 HydrophobicContact CE1-CB 3.85Å; F1003-F1062 HydrophobicContact CE1-CD2 4.47Å; F1003-F1062 HydrophobicContact CE1-CG 4.46Å; F1003-F1062 HydrophobicContact CE2-CB 4.01Å; F1003-F1062 HydrophobicContact CE2-CD2 4.21Å; F1003-F1062 AromaticContact CG-CD2 3.67Å; F1003-F1062 HydrophobicContact CG-CD2 3.67Å; F1003-F1062 HydrophobicContact CG-CE2 4.35Å; F1003-F1062 HydrophobicContact CG-CG 4.41Å; F1003-F1062 HydrophobicContact CZ-CB 3.75Å; F1003-I1066 HydrophobicContact CD2-CD1 3.74Å; F1003-I1066 HydrophobicContact CE2-CD1 3.7Å; F1003-I1082 HydrophobicContact CD1-CD1 4.21Å; F1003-I1082 HydrophobicContact CD1-CG2 4.39Å; F1003-A1085 HydrophobicContact CD1-CB 3.4Å; F1003-A1085 HydrophobicContact CE1-CB 3.68Å; F1003-A1085 HydrophobicContact CG-CB 4.24Å
1004I94.9Very high89.3Confident26 Ų2642.1 Ų42.113%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-101.5125.3165.5-62.6177.8000108L1034 Y1035 M1036 K1083 N1084 W1086I1004-L1034 HydrophobicContact CG2-CB 4.35Å; I1004-L1034 HydrophobicContact CG2-CD2 4.18Å; I1004-Y1035 CarbonylContact C-O 3.52Å; I1004-Y1035 WeakPolarHBondContact CA-O 3.39Å; I1004-M1036 HydrophobicContact CD1-CE 4.17Å; I1004-M1036 HydrophobicContact CG1-CB 4.46Å; I1004-M1036 HydrophobicContact CG1-CE 4.25Å; I1004-M1036 HydrophobicContact CG1-CG 4.38Å; I1004-K1083 HydrophobicContact CG2-CB 4.46Å; I1004-K1083 PolarHBondContact O-N 3.2Å; I1004-N1084 HydrophobicContact CB-CB 4.19Å; I1004-N1084 PolarHBondContact N-O 2.84Å; I1004-N1084 PolarHBondContact O-N 2.72Å; I1004-N1084 VanDerWaalsContact O-N 3.08Å; I1004-N1084 VanDerWaalsContact O-O 3.11Å; I1004-W1086 HydrophobicContact CD1-CH2 3.84Å; I1004-W1086 HydrophobicContact CD1-CZ3 3.6Å; I1004-W1086 HydrophobicContact CG1-CH2 4.01Å; I1004-W1086 HydrophobicContact CG1-CZ3 3.76Å
1005F95.6Very high88.9Confident0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-124.2155.8173.267.6-97.1000111.5C1007 L1034 Y1035 C1037 L1070 F1077 L1080 K1081F1005-C1007 HydrophobicContact CD2-CB 4.18Å; F1005-C1007 HydrophobicContact CE2-CB 4.06Å; F1005-L1034 CarbonylContact O-C 3.54Å; F1005-L1034 WeakPolarHBondContact O-CA 3.5Å; F1005-Y1035 AromaticContact CD2-CD2 3.88Å; F1005-Y1035 HydrophobicContact CD2-CD2 3.88Å; F1005-Y1035 HydrophobicContact CD2-CG 4.33Å; F1005-Y1035 AromaticContact CE2-CD2 3.42Å; F1005-Y1035 HydrophobicContact CE2-CD2 3.42Å; F1005-Y1035 VanDerWaalsContact CE2-CD2 3.42Å; F1005-Y1035 HydrophobicContact CE2-CE2 4.36Å; F1005-Y1035 AromaticContact CE2-CG 3.65Å; F1005-Y1035 HydrophobicContact CE2-CG 3.65Å; F1005-Y1035 HydrophobicContact CZ-CD2 4.07Å; F1005-Y1035 AromaticContact CZ-CG 3.79Å; F1005-Y1035 HydrophobicContact CZ-CG 3.79Å; F1005-Y1035 PolarHBondContact N-O 3.19Å; F1005-Y1035 PolarHBondContact O-N 2.75Å; F1005-C1037 HydrophobicContact CE1-CB 4.07Å; F1005-L1070 HydrophobicContact CE1-CD1 3.85Å; F1005-L1070 HydrophobicContact CZ-CD1 4.26Å; F1005-F1077 AromaticContact CE2-CD1 3.73Å; F1005-F1077 HydrophobicContact CE2-CD1 3.73Å; F1005-F1077 HydrophobicContact CE2-CD2 4.48Å; F1005-F1077 AromaticContact CE2-CE1 3.64Å; F1005-F1077 HydrophobicContact CE2-CE1 3.64Å; F1005-F1077 HydrophobicContact CE2-CE2 4.42Å; F1005-F1077 HydrophobicContact CE2-CG 4.16Å; F1005-F1077 HydrophobicContact CE2-CZ 4.02Å; F1005-F1077 HydrophobicContact CZ-CD1 4.09Å; F1005-F1077 HydrophobicContact CZ-CD2 4.03Å; F1005-F1077 AromaticContact CZ-CE1 3.91Å; F1005-F1077 HydrophobicContact CZ-CE1 3.91Å; F1005-F1077 AromaticContact CZ-CE2 3.86Å; F1005-F1077 HydrophobicContact CZ-CE2 3.86Å; F1005-F1077 HydrophobicContact CZ-CG 4.15Å; F1005-F1077 AromaticContact CZ-CZ 3.79Å; F1005-F1077 HydrophobicContact CZ-CZ 3.79Å; F1005-L1080 HydrophobicContact CB-CB 4.44Å; F1005-L1080 HydrophobicContact CB-CD1 4.15Å; F1005-L1080 HydrophobicContact CD1-CD2 4.13Å; F1005-L1080 HydrophobicContact CD2-CB 3.53Å; F1005-L1080 HydrophobicContact CD2-CD2 3.79Å; F1005-L1080 HydrophobicContact CD2-CG 4.17Å; F1005-L1080 HydrophobicContact CE1-CD2 4.11Å; F1005-L1080 HydrophobicContact CE2-CB 3.94Å; F1005-L1080 HydrophobicContact CE2-CD2 3.76Å; F1005-L1080 HydrophobicContact CG-CB 4.15Å; F1005-L1080 HydrophobicContact CG-CD1 4.3Å; F1005-L1080 HydrophobicContact CG-CD2 3.95Å; F1005-L1080 HydrophobicContact CG-CG 4.39Å; F1005-L1080 HydrophobicContact CZ-CD2 3.91Å; F1005-K1081 CarbonylContact C-O 3.42Å; F1005-K1081 VanDerWaalsContact CA-O 3.3Å; F1005-K1081 WeakPolarHBondContact CA-O 3.3Å; F1005-K1081 WeakPolarHBondContact CB-O 3.43Å
1006H94.6Very high88.2Confident57 Ų5744 Ų4426%0.26424%0.238SC..EExtended strand (participates in β ladder)trans-105.7132.1172.3178.9-108.2000109.4G1032 N1033 L1034 K1081 K1083H1006-G1032 PolarHBondContact CD2-O 3.4Å; H1006-N1033 PolarHBondContact CD2-O 3.01Å; H1006-L1034 HydrophobicContact CB-CD2 3.82Å; H1006-K1081 PolarHBondContact N-O 2.99Å; H1006-K1081 PolarHBondContact O-N 2.86Å; H1006-K1083 HydrophobicContact CB-CD 4.28Å; H1006-K1083 HydrophobicContact CB-CG 3.68Å
1007C93.7Very high88Confident1 Ų142.2 Ų42.21%0.00723%0.228CC..  trans-137.3102.3174.1-1770000109F1005 D1009 G1010 N1033 Y1035 A1076 F1077 L1080F1005-C1007 HydrophobicContact CD2-CB 4.18Å; F1005-C1007 HydrophobicContact CE2-CB 4.06Å; C1007-D1009 VanDerWaalsContact C-N 3.28Å; C1007-D1009 PolarHBondContact O-N 2.82Å; C1007-G1010 PolarHBondContact O-N 2.89Å; C1007-G1010 PolarHBondContact SG-N 2.88Å; C1007-N1033 PolarHBondContact N-O 3.36Å; C1007-N1033 VanDerWaalsContact N-O 3.13Å; C1007-N1033 WeakPolarHBondContact O-CB 3.37Å; C1007-Y1035 HydrophobicContact CB-CD2 4.18Å; C1007-Y1035 HydrophobicContact CB-CE2 3.86Å; C1007-A1076 PolarHBondContact SG-O 2.99Å; C1007-F1077 HydrophobicContact CB-CD1 3.99Å; C1007-F1077 HydrophobicContact CB-CE1 4.16Å; C1007-L1080 HydrophobicContact CB-CB 4.26Å
1008P87.3Confident87.8Confident76 Ų7637.8 Ų37.849%0.49421%0.212SC..THydrogen-bonded Turntrans-55.9-41.9-177.3-20.426.8000113.2G1010 N1033P1008-G1010 VanDerWaalsContact C-N 3.27Å; P1008-G1010 PolarHBondContact O-N 3.17Å; P1008-N1033 PolarHBondContact O-ND2 3.28Å; P1008-N1033 VanDerWaalsContact O-ND2 3.09Å
1009D88.3Confident87.6Confident114 Ų11437.4 Ų37.461%0.6121%0.211SC*.THydrogen-bonded Turntrans-87.98.6-178.5-55.1-39.4000112.7C1007 A1076C1007-D1009 VanDerWaalsContact C-N 3.28Å; C1007-D1009 PolarHBondContact O-N 2.82Å; D1009-A1076 HydrophobicContact CB-CB 4.49Å; D1009-A1076 WeakPolarHBondContact O-CB 3.19Å
1010G86.2Confident87.4Confident15 Ų1537.7 Ų37.716%0.15521%0.213CC..SBendtrans-67.6169.2-179.500000113.2C1007 P1008 Y1035C1007-G1010 PolarHBondContact O-N 2.89Å; C1007-G1010 PolarHBondContact SG-N 2.88Å; P1008-G1010 VanDerWaalsContact C-N 3.27Å; P1008-G1010 PolarHBondContact O-N 3.17Å; G1010-Y1035 VanDerWaalsContact CA-OH 3.31Å; G1010-Y1035 WeakPolarHBondContact CA-OH 3.36Å
1011P85.3Confident86.8Confident40 Ų4038.5 Ų38.526%0.2622%0.221SC..  trans-61.9159.5-176.527.2-36000114.2M1015 Y1035 V1074 F1077P1011-M1015 HydrophobicContact CB-CB 4.12Å; P1011-M1015 HydrophobicContact CB-CG 4.21Å; P1011-M1015 HydrophobicContact CB-SD 4.44Å; P1011-M1015 HydrophobicContact CG-CB 4.06Å; P1011-M1015 HydrophobicContact CG-CE 4.25Å; P1011-M1015 HydrophobicContact CG-CG 3.75Å; P1011-M1015 HydrophobicContact CG-SD 3.39Å; P1011-M1015 WeakPolarHBondContact CG-SD 2.9Å; P1011-Y1035 WeakPolarHBondContact CD-OH 3.19Å; P1011-Y1035 HydrophobicContact CG-CE1 3.93Å; P1011-Y1035 PolarHBondContact O-OH 3.49Å; P1011-V1074 HydrophobicContact CG-CG1 4.47Å; P1011-F1077 HydrophobicContact CG-CE1 4.42Å; P1011-F1077 HydrophobicContact CG-CZ 4.14Å
1012S78.3Confident86.4Confident74 Ų7439.4 Ų39.452%0.51723%0.229SC..  trans-71.7-176.9-175.6400000114.6D1014 M1015S1012-D1014 WeakPolarHBondContact CB-OD1 3.46Å; S1012-D1014 PolarHBondContact O-N 3.42Å; S1012-D1014 VanDerWaalsContact O-N 3.1Å; S1012-D1014 PolarHBondContact OG-OD1 2.92Å; S1012-M1015 WeakPolarHBondContact O-CB 3.35Å; S1012-M1015 PolarHBondContact O-N 3.23Å; S1012-M1015 VanDerWaalsContact O-N 3.1Å
1013L72.6Confident86Confident127 Ų12739.9 Ų39.967%0.66523%0.233SC*.THydrogen-bonded Turntrans-55.9-21-179.9-85.9149.1000115L1031L1013-L1031 HydrophobicContact CD2-CD2 3.58Å
1014D72.8Confident85.8Confident127 Ų12740 Ų4068%0.67923%0.234SC*.THydrogen-bonded Turntrans-91.65.6-179.762.4-27.1000113.8S1012 P1016S1012-D1014 WeakPolarHBondContact CB-OD1 3.46Å; S1012-D1014 PolarHBondContact O-N 3.42Å; S1012-D1014 VanDerWaalsContact O-N 3.1Å; S1012-D1014 PolarHBondContact OG-OD1 2.92Å; D1014-P1016 WeakPolarHBondContact O-CD 3.18Å
1015M82.9Confident85.7Confident16 Ų1639 Ų398%0.07923%0.229CC..  trans-55.6121.2173.8-174.2-166.9177.300110.3P1011 S1012 Y1035 F1077P1011-M1015 HydrophobicContact CB-CB 4.12Å; P1011-M1015 HydrophobicContact CB-CG 4.21Å; P1011-M1015 HydrophobicContact CB-SD 4.44Å; P1011-M1015 HydrophobicContact CG-CB 4.06Å; P1011-M1015 HydrophobicContact CG-CE 4.25Å; P1011-M1015 HydrophobicContact CG-CG 3.75Å; P1011-M1015 HydrophobicContact CG-SD 3.39Å; P1011-M1015 WeakPolarHBondContact CG-SD 2.9Å; S1012-M1015 WeakPolarHBondContact O-CB 3.35Å; S1012-M1015 PolarHBondContact O-N 3.23Å; S1012-M1015 VanDerWaalsContact O-N 3.1Å; M1015-Y1035 HydrophobicContact SD-CD1 3.67Å; M1015-Y1035 HydrophobicContact SD-CE1 3.52Å; M1015-Y1035 VanDerWaalsContact SD-CE1 3.52Å; M1015-F1077 HydrophobicContact CE-CE2 4.09Å; M1015-F1077 HydrophobicContact CE-CZ 4.02Å; M1015-F1077 HydrophobicContact SD-CZ 4.33Å
1016P79.1Confident85.6Confident39 Ų3939 Ų3925%0.25323%0.229SC..  trans-71.1162.9175.430.7-34.7000111.3N844 L846 D1014 L1018N844-P1016 HydrophobicContact CB-CB 4.49Å; N844-P1016 CarbonylContact O-C 3.49Å; N844-P1016 WeakPolarHBondContact O-CA 3.38Å; N844-P1016 WeakPolarHBondContact O-CB 3.46Å; L846-P1016 HydrophobicContact CB-CB 3.82Å; L846-P1016 HydrophobicContact CB-CG 3.73Å; L846-P1016 HydrophobicContact CD2-CG 3.77Å; L846-P1016 HydrophobicContact CG-CG 4.42Å; D1014-P1016 WeakPolarHBondContact O-CD 3.18Å; P1016-L1018 PolarHBondContact O-N 3.33Å; P1016-L1018 VanDerWaalsContact O-N 3.1Å
1017Y86.4Confident85.4Confident3 Ų337.2 Ų37.21%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-67.8105.8166.2-157.9-35.8000108.5W802 M843 N844 A845 L846 V890 F1019 W1025 R1027W802-Y1017 AromaticContact CE2-CE2 3.97Å; W802-Y1017 HydrophobicContact CZ2-CD2 4.13Å; W802-Y1017 AromaticContact CZ2-CE2 3.52Å; W802-Y1017 HydrophobicContact CZ2-CE2 3.52Å; W802-Y1017 AromaticContact CZ2-CZ 3.89Å; W802-Y1017 AromaticContact NE1-CD2 3.5Å; W802-Y1017 AromaticContact NE1-CE2 3.82Å; M843-Y1017 HydrophobicContact SD-CD2 4.37Å; N844-Y1017 PolarHBondContact O-N 3.22Å; A845-Y1017 CarbonylContact C-O 3.54Å; A845-Y1017 WeakPolarHBondContact CA-O 3.31Å; L846-Y1017 PolarHBondContact N-O 3.42Å; V890-Y1017 HydrophobicContact CG1-CD2 4.14Å; V890-Y1017 HydrophobicContact CG1-CE2 4.14Å; Y1017-F1019 HydrophobicContact CD1-CD2 4.19Å; Y1017-F1019 HydrophobicContact CD1-CE1 4.2Å; Y1017-F1019 AromaticContact CD1-CE2 3.51Å; Y1017-F1019 HydrophobicContact CD1-CE2 3.51Å; Y1017-F1019 AromaticContact CD1-CZ 3.51Å; Y1017-F1019 HydrophobicContact CD1-CZ 3.51Å; Y1017-F1019 HydrophobicContact CD2-CE2 4.48Å; Y1017-F1019 HydrophobicContact CD2-CZ 4.36Å; Y1017-F1019 AromaticContact CE1-CE1 3.91Å; Y1017-F1019 HydrophobicContact CE1-CE1 3.91Å; Y1017-F1019 HydrophobicContact CE1-CE2 4.04Å; Y1017-F1019 AromaticContact CE1-CZ 3.53Å; Y1017-F1019 HydrophobicContact CE1-CZ 3.53Å; Y1017-F1019 HydrophobicContact CE2-CZ 4.31Å; Y1017-F1019 AromaticContact CG-CE2 3.8Å; Y1017-F1019 HydrophobicContact CG-CE2 3.8Å; Y1017-F1019 AromaticContact CG-CZ 3.98Å; Y1017-F1019 HydrophobicContact CG-CZ 3.98Å; Y1017-F1019 AromaticContact CZ-CZ 3.94Å; Y1017-W1025 HydrophobicContact CE1-CB 4.1Å; Y1017-W1025 HydrophobicContact CE1-CD2 4.4Å; Y1017-W1025 AromaticContact CE1-CE3 3.83Å; Y1017-W1025 HydrophobicContact CE1-CE3 3.83Å; Y1017-W1025 VanDerWaalsContact OH-CE3 3.3Å; Y1017-R1027 HydrophobicContact CD1-CB 3.91Å; Y1017-R1027 HydrophobicContact CD2-CB 3.98Å; Y1017-R1027 HydrophobicContact CD2-CG 4.37Å; Y1017-R1027 HydrophobicContact CE1-CB 4.08Å; Y1017-R1027 HydrophobicContact CE1-CG 4.31Å; Y1017-R1027 HydrophobicContact CE2-CB 4.21Å; Y1017-R1027 VanDerWaalsContact CE2-CD 3.42Å; Y1017-R1027 HydrophobicContact CE2-CG 4.13Å; Y1017-R1027 HydrophobicContact CG-CB 3.83Å
1018L87Confident85.1Confident14 Ų1438 Ų387%0.07322%0.223CC..EExtended strand (participates in β ladder)trans-79.6130.5-178.5-171.668.4000111.2L846 L848 P1016 W1025 C1026 R1073L846-L1018 HydrophobicContact CD2-CD1 4.25Å; L846-L1018 HydrophobicContact CG-CD1 4.25Å; L846-L1018 CarbonylContact O-C 3.57Å; L848-L1018 HydrophobicContact CD1-CD1 3.55Å; L848-L1018 HydrophobicContact CD1-CG 4.46Å; L848-L1018 HydrophobicContact CD2-CD1 4.43Å; L848-L1018 HydrophobicContact CG-CD1 3.74Å; P1016-L1018 PolarHBondContact O-N 3.33Å; P1016-L1018 VanDerWaalsContact O-N 3.1Å; L1018-W1025 CarbonylContact O-C 3.48Å; L1018-W1025 WeakPolarHBondContact O-CA 3.03Å; L1018-C1026 HydrophobicContact CB-CB 4.39Å; L1018-C1026 WeakPolarHBondContact CB-O 3.35Å; L1018-C1026 PolarHBondContact N-O 3.15Å; L1018-C1026 PolarHBondContact O-N 2.91Å; L1018-R1073 HydrophobicContact CD2-CB 4.46Å
1019F86.6Confident85.1Confident25 Ų2537.3 Ų37.311%0.1121%0.213CC..EExtended strand (participates in β ladder)trans-122.9114.3167-65.2-84.3000108.7W802 A845 L846 F847 L848 Y1017 W1025W802-F1019 HydrophobicContact CD2-CE2 4.32Å; W802-F1019 AromaticContact CD2-CZ 3.93Å; W802-F1019 HydrophobicContact CD2-CZ 3.93Å; W802-F1019 AromaticContact CE2-CZ 3.56Å; W802-F1019 HydrophobicContact CE3-CZ 4.26Å; W802-F1019 HydrophobicContact CG-CE2 4.49Å; W802-F1019 HydrophobicContact CH2-CE1 4.36Å; W802-F1019 AromaticContact CH2-CZ 3.96Å; W802-F1019 HydrophobicContact CH2-CZ 3.96Å; W802-F1019 HydrophobicContact CZ2-CE1 4.4Å; W802-F1019 AromaticContact CZ2-CZ 3.62Å; W802-F1019 HydrophobicContact CZ2-CZ 3.62Å; W802-F1019 HydrophobicContact CZ3-CZ 4.25Å; W802-F1019 AromaticContact NE1-CZ 3.96Å; A845-F1019 HydrophobicContact CB-CD2 4.28Å; A845-F1019 HydrophobicContact CB-CE2 3.93Å; L846-F1019 PolarHBondContact O-N 2.88Å; F847-F1019 CarbonylContact C-O 3.54Å; F847-F1019 WeakPolarHBondContact CA-O 3.27Å; F847-F1019 HydrophobicContact CD1-CB 3.62Å; F847-F1019 HydrophobicContact CD1-CD2 4.4Å; F847-F1019 HydrophobicContact CD1-CG 4.12Å; F847-F1019 HydrophobicContact CD2-CB 4.35Å; F847-F1019 AromaticContact CD2-CD2 3.95Å; F847-F1019 HydrophobicContact CD2-CD2 3.95Å; F847-F1019 HydrophobicContact CD2-CG 4.45Å; F847-F1019 HydrophobicContact CE1-CB 3.8Å; F847-F1019 HydrophobicContact CE1-CD1 4.34Å; F847-F1019 HydrophobicContact CE1-CD2 4.03Å; F847-F1019 AromaticContact CE1-CG 3.79Å; F847-F1019 HydrophobicContact CE1-CG 3.79Å; F847-F1019 AromaticContact CE2-CD2 3.57Å; F847-F1019 HydrophobicContact CE2-CD2 3.57Å; F847-F1019 HydrophobicContact CE2-CE2 4.04Å; F847-F1019 HydrophobicContact CE2-CG 4.19Å; F847-F1019 HydrophobicContact CG-CB 3.94Å; F847-F1019 HydrophobicContact CG-CD2 4.38Å; F847-F1019 HydrophobicContact CG-CG 4.45Å; F847-F1019 HydrophobicContact CZ-CB 4.27Å; F847-F1019 HydrophobicContact CZ-CD1 4.44Å; F847-F1019 AromaticContact CZ-CD2 3.61Å; F847-F1019 HydrophobicContact CZ-CD2 3.61Å; F847-F1019 HydrophobicContact CZ-CE2 4.03Å; F847-F1019 AromaticContact CZ-CG 3.85Å; F847-F1019 HydrophobicContact CZ-CG 3.85Å; L848-F1019 PolarHBondContact N-O 2.98Å; Y1017-F1019 HydrophobicContact CD1-CD2 4.19Å; Y1017-F1019 HydrophobicContact CD1-CE1 4.2Å; Y1017-F1019 AromaticContact CD1-CE2 3.51Å; Y1017-F1019 HydrophobicContact CD1-CE2 3.51Å; Y1017-F1019 AromaticContact CD1-CZ 3.51Å; Y1017-F1019 HydrophobicContact CD1-CZ 3.51Å; Y1017-F1019 HydrophobicContact CD2-CE2 4.48Å; Y1017-F1019 HydrophobicContact CD2-CZ 4.36Å; Y1017-F1019 AromaticContact CE1-CE1 3.91Å; Y1017-F1019 HydrophobicContact CE1-CE1 3.91Å; Y1017-F1019 HydrophobicContact CE1-CE2 4.04Å; Y1017-F1019 AromaticContact CE1-CZ 3.53Å; Y1017-F1019 HydrophobicContact CE1-CZ 3.53Å; Y1017-F1019 HydrophobicContact CE2-CZ 4.31Å; Y1017-F1019 AromaticContact CG-CE2 3.8Å; Y1017-F1019 HydrophobicContact CG-CE2 3.8Å; Y1017-F1019 AromaticContact CG-CZ 3.98Å; Y1017-F1019 HydrophobicContact CG-CZ 3.98Å; Y1017-F1019 AromaticContact CZ-CZ 3.94Å; F1019-W1025 HydrophobicContact CD1-CB 3.72Å; F1019-W1025 HydrophobicContact CE1-CB 3.89Å
1020D86.9Confident84.7Confident13 Ų1334.4 Ų34.47%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-90.7143.6174.3-166.383.8000110.8S1022 G1023 V1024 V1069 R1073D1020-S1022 PolarHBondContact O-N 2.81Å; D1020-S1022 VanDerWaalsContact OD2-CB 3.24Å; D1020-S1022 WeakPolarHBondContact OD2-CB 3.34Å; D1020-S1022 PolarHBondContact OD2-N 3.44Å; D1020-S1022 PolarHBondContact OD2-OG 2.84Å; D1020-G1023 WeakPolarHBondContact O-CA 3.48Å; D1020-G1023 PolarHBondContact O-N 2.94Å; D1020-V1024 HydrophobicContact CB-CB 4.32Å; D1020-V1024 WeakPolarHBondContact CB-O 3.15Å; D1020-V1024 PolarHBondContact N-O 3.21Å; D1020-V1069 HydrophobicContact CB-CG1 4.18Å; D1020-R1073 IonicContact OD1-CZ 2.73Å; D1020-R1073 IonicContact OD1-NE 3.91Å; D1020-R1073 PolarHBondContact OD1-NE 2.98Å; D1020-R1073 IonicContact OD1-NH2 2.66Å; D1020-R1073 PolarHBondContact OD1-NH2 2.64Å; D1020-R1073 IonicContact OD2-NH2 3.83Å
1021S79.9Confident84.2Confident33 Ų3340.6 Ų40.623%0.23124%0.239CC..THydrogen-bonded Turntrans-48.8-25.5169.246.30000114.9L848 S850 E854 G1023L848-S1021 WeakPolarHBondContact O-CB 3.39Å; L848-S1021 PolarHBondContact O-N 3.39Å; L848-S1021 PolarHBondContact O-OG 2.94Å; S850-S1021 VanDerWaalsContact CB-OG 3.32Å; S850-S1021 WeakPolarHBondContact CB-OG 3.4Å; S850-S1021 PolarHBondContact N-OG 2.78Å; E854-S1021 WeakPolarHBondContact OE2-CB 3.43Å; S1021-G1023 PolarHBondContact O-N 3.25Å
1022S84.4Confident84Confident27 Ų2740.8 Ų40.819%0.18925%0.248CC..THydrogen-bonded Turntrans-742.7173.982.30000113.6D1020 V1024 K1039D1020-S1022 PolarHBondContact O-N 2.81Å; D1020-S1022 VanDerWaalsContact OD2-CB 3.24Å; D1020-S1022 WeakPolarHBondContact OD2-CB 3.34Å; D1020-S1022 PolarHBondContact OD2-N 3.44Å; D1020-S1022 PolarHBondContact OD2-OG 2.84Å; S1022-V1024 VanDerWaalsContact C-N 3.26Å; S1022-V1024 PolarHBondContact O-N 3Å; S1022-V1024 WeakPolarHBondContact OG-CG2 3.39Å; S1022-V1024 PolarHBondContact OG-N 2.84Å; S1022-K1039 PolarHBondContact O-NZ 3.07Å
1023G86.7Confident84.5Confident10 Ų1039.6 Ų39.610%0.10324%0.236CC..SBendtrans79.4-0.9-173.400000114.8D1020 S1021 K1039 N1040D1020-G1023 WeakPolarHBondContact O-CA 3.48Å; D1020-G1023 PolarHBondContact O-N 2.94Å; S1021-G1023 PolarHBondContact O-N 3.25Å; G1023-K1039 WeakPolarHBondContact O-CA 2.99Å; G1023-N1040 VanDerWaalsContact CA-O 3.29Å; G1023-N1040 WeakPolarHBondContact CA-O 3.47Å; G1023-N1040 PolarHBondContact O-N 3.22Å
1024V92.4Very high85.4Confident2 Ų236.2 Ų36.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-74.4129.8176.31710000109.2D1020 S1022 G1038 K1039 H1065 I1066 V1069 L1070D1020-V1024 HydrophobicContact CB-CB 4.32Å; D1020-V1024 WeakPolarHBondContact CB-O 3.15Å; D1020-V1024 PolarHBondContact N-O 3.21Å; S1022-V1024 VanDerWaalsContact C-N 3.26Å; S1022-V1024 PolarHBondContact O-N 3Å; S1022-V1024 WeakPolarHBondContact OG-CG2 3.39Å; S1022-V1024 PolarHBondContact OG-N 2.84Å; V1024-G1038 WeakPolarHBondContact CA-O 3.47Å; V1024-K1039 HydrophobicContact CG2-CB 4.04Å; V1024-K1039 HydrophobicContact CG2-CD 3.91Å; V1024-K1039 HydrophobicContact CG2-CG 4.02Å; V1024-H1065 WeakPolarHBondContact CG2-O 3.37Å; V1024-I1066 HydrophobicContact CG1-CG2 4.23Å; V1024-V1069 HydrophobicContact CB-CB 4.37Å; V1024-V1069 HydrophobicContact CB-CG1 4.07Å; V1024-V1069 HydrophobicContact CG1-CB 4.49Å; V1024-V1069 HydrophobicContact CG1-CG1 4.36Å; V1024-V1069 HydrophobicContact CG2-CB 4.05Å; V1024-V1069 HydrophobicContact CG2-CG1 4.22Å; V1024-V1069 HydrophobicContact CG2-CG2 4.09Å; V1024-L1070 HydrophobicContact CG1-CD2 3.71Å; V1024-L1070 HydrophobicContact CG1-CG 4.06Å
1025W92.6Very high86.4Confident6 Ų630.2 Ų30.22%0.02319%0.186CC..EExtended strand (participates in β ladder)trans-123.9148.2176.659.3-99.5000110.4P798 A1002 Y1017 L1018 F1019 M1036 C1037 G1038P798-W1025 HydrophobicContact CB-CH2 3.86Å; P798-W1025 HydrophobicContact CB-CZ2 4.37Å; P798-W1025 HydrophobicContact CB-CZ3 4.23Å; P798-W1025 HydrophobicContact CG-CH2 3.23Å; P798-W1025 HydrophobicContact CG-CZ2 3.52Å; P798-W1025 HydrophobicContact CG-CZ3 4.09Å; A1002-W1025 HydrophobicContact CB-CH2 4.39Å; Y1017-W1025 HydrophobicContact CE1-CB 4.1Å; Y1017-W1025 HydrophobicContact CE1-CD2 4.4Å; Y1017-W1025 AromaticContact CE1-CE3 3.83Å; Y1017-W1025 HydrophobicContact CE1-CE3 3.83Å; Y1017-W1025 VanDerWaalsContact OH-CE3 3.3Å; L1018-W1025 CarbonylContact O-C 3.48Å; L1018-W1025 WeakPolarHBondContact O-CA 3.03Å; F1019-W1025 HydrophobicContact CD1-CB 3.72Å; F1019-W1025 HydrophobicContact CE1-CB 3.89Å; W1025-M1036 HydrophobicContact CH2-CG 4.14Å; W1025-M1036 HydrophobicContact CZ3-CG 3.98Å; W1025-C1037 WeakPolarHBondContact CH2-O 3.33Å; W1025-C1037 VanDerWaalsContact CZ3-C 3.41Å; W1025-C1037 VanDerWaalsContact CZ3-CA 3.43Å; W1025-C1037 WeakPolarHBondContact O-CA 3.24Å; W1025-C1037 WeakPolarHBondContact O-CB 3.39Å; W1025-G1038 VanDerWaalsContact CE2-CA 3.45Å; W1025-G1038 PolarHBondContact N-O 2.88Å; W1025-G1038 PolarHBondContact O-N 3.33Å
1026C93.5Very high87Confident0 Ų029.8 Ų29.80%018%0.184CC..EExtended strand (participates in β ladder)trans-152.8137.1-178.4-175.90000111.3L1018 M1036 C1037 L1070L1018-C1026 HydrophobicContact CB-CB 4.39Å; L1018-C1026 WeakPolarHBondContact CB-O 3.35Å; L1018-C1026 PolarHBondContact N-O 3.15Å; L1018-C1026 PolarHBondContact O-N 2.91Å; C1026-M1036 CarbonylContact C-O 3.51Å; C1026-M1036 WeakPolarHBondContact CA-O 3.33Å; C1026-C1037 HydrophobicContact CB-CB 3.93Å; C1026-L1070 HydrophobicContact CB-CD2 3.68Å
1027R90.7Very high87.7Confident19 Ų1928 Ų287%0.07217%0.172CC..EExtended strand (participates in β ladder)trans-139.6163.2174.464.3168.4178.6108.24.3111.5M843 Y1017 E1029 Y1035 M1036M843-R1027 HydrophobicContact SD-CB 3.93Å; Y1017-R1027 HydrophobicContact CD1-CB 3.91Å; Y1017-R1027 HydrophobicContact CD2-CB 3.98Å; Y1017-R1027 HydrophobicContact CD2-CG 4.37Å; Y1017-R1027 HydrophobicContact CE1-CB 4.08Å; Y1017-R1027 HydrophobicContact CE1-CG 4.31Å; Y1017-R1027 HydrophobicContact CE2-CB 4.21Å; Y1017-R1027 VanDerWaalsContact CE2-CD 3.42Å; Y1017-R1027 HydrophobicContact CE2-CG 4.13Å; Y1017-R1027 HydrophobicContact CG-CB 3.83Å; R1027-E1029 IonicContact CZ-OE2 3.07Å; R1027-E1029 IonicContact NH1-OE2 2.65Å; R1027-E1029 PolarHBondContact NH1-OE2 3.19Å; R1027-E1029 IonicContact NH2-OE2 2.97Å; R1027-E1029 PolarHBondContact NH2-OE2 2.67Å; R1027-Y1035 CarbonylContact O-C 3.48Å; R1027-Y1035 WeakPolarHBondContact O-CA 3.46Å; R1027-Y1035 WeakPolarHBondContact O-CB 3.45Å; R1027-M1036 HydrophobicContact CG-CB 4.17Å; R1027-M1036 PolarHBondContact N-O 2.84Å; R1027-M1036 VanDerWaalsContact NH2-CE 3.34Å; R1027-M1036 PolarHBondContact NH2-SD 3.39Å; R1027-M1036 VanDerWaalsContact NH2-SD 3.39Å; R1027-M1036 PolarHBondContact O-N 2.64Å
1028R88.1Confident88.1Confident18 Ų1827.8 Ų27.87%0.06817%0.172CC..EExtended strand (participates in β ladder)trans-75.8144.8169.1-164.1171-172.7-95.4-0.4110.8G1030 L1031 N1033 Y1035R1028-G1030 PolarHBondContact NH1-O 3.14Å; R1028-L1031 PolarHBondContact NH2-O 3.45Å; R1028-N1033 PolarHBondContact NH2-OD1 3.29Å; R1028-Y1035 HydrophobicContact CB-CD1 4.24Å; R1028-Y1035 HydrophobicContact CB-CE1 4.27Å; R1028-Y1035 HydrophobicContact CG-CD1 4.36Å; R1028-Y1035 HydrophobicContact CG-CE1 4.12Å
1029E86.2Confident88.3Confident61 Ų6128.1 Ų28.129%0.28517%0.172SC..EExtended strand (participates in β ladder)trans-123.6109.2178.7-17467-175.200110.1R1027 L1034 M1036R1027-E1029 IonicContact CZ-OE2 3.07Å; R1027-E1029 IonicContact NH1-OE2 2.65Å; R1027-E1029 PolarHBondContact NH1-OE2 3.19Å; R1027-E1029 IonicContact NH2-OE2 2.97Å; R1027-E1029 PolarHBondContact NH2-OE2 2.67Å; E1029-L1034 HydrophobicContact CB-CB 4.34Å; E1029-L1034 PolarHBondContact N-O 3.37Å; E1029-L1034 WeakPolarHBondContact O-CB 3.27Å; E1029-M1036 HydrophobicContact CB-CB 4.46Å; E1029-M1036 HydrophobicContact CG-CE 4.26Å
1030G79.2Confident88.3Confident54 Ų5430 Ų3056%0.55718%0.184SC*.THydrogen-bonded Turntrans65.2-160.6-179.400000114.1R1028R1028-G1030 PolarHBondContact NH1-O 3.14Å
1031L77.2Confident87.8Confident144 Ų14431.2 Ų31.275%0.75419%0.192SC*.THydrogen-bonded Turntrans-94.2-12.1-173.2-64.9177.6000115L1013 R1028 N1033L1013-L1031 HydrophobicContact CD2-CD2 3.58Å; R1028-L1031 PolarHBondContact NH2-O 3.45Å; L1031-N1033 PolarHBondContact O-N 3.39Å
1032G80.3Confident87.4Confident45 Ų4530.9 Ų30.946%0.46419%0.19SC..THydrogen-bonded Turntrans-97.736.6-164.800000116.5H1006 L1034H1006-G1032 PolarHBondContact CD2-O 3.4Å; G1032-L1034 PolarHBondContact O-N 2.99Å; G1032-L1034 VanDerWaalsContact O-N 3.07Å
1033N88.5Confident86.4Confident48 Ų4836 Ų3626%0.25722%0.215SC..THydrogen-bonded Turntrans49.836-176.4-63.4-9.2000113.2H1006 C1007 P1008 R1028 L1031 Y1035H1006-N1033 PolarHBondContact CD2-O 3.01Å; C1007-N1033 PolarHBondContact N-O 3.36Å; C1007-N1033 VanDerWaalsContact N-O 3.13Å; C1007-N1033 WeakPolarHBondContact O-CB 3.37Å; P1008-N1033 PolarHBondContact O-ND2 3.28Å; P1008-N1033 VanDerWaalsContact O-ND2 3.09Å; R1028-N1033 PolarHBondContact NH2-OD1 3.29Å; L1031-N1033 PolarHBondContact O-N 3.39Å; N1033-Y1035 HydrophobicContact CB-CE2 4.43Å; N1033-Y1035 WeakPolarHBondContact O-CD2 3.3Å; N1033-Y1035 WeakPolarHBondContact O-CE2 3.45Å
1034L92.7Very high85.3Confident57 Ų5743 Ų4330%0.29825%0.25SC..EExtended strand (participates in β ladder)trans-94.9144.4169.5-66.3170.2000108.4I1004 F1005 H1006 E1029 G1032 K1083I1004-L1034 HydrophobicContact CG2-CB 4.35Å; I1004-L1034 HydrophobicContact CG2-CD2 4.18Å; F1005-L1034 CarbonylContact O-C 3.54Å; F1005-L1034 WeakPolarHBondContact O-CA 3.5Å; H1006-L1034 HydrophobicContact CB-CD2 3.82Å; E1029-L1034 HydrophobicContact CB-CB 4.34Å; E1029-L1034 PolarHBondContact N-O 3.37Å; E1029-L1034 WeakPolarHBondContact O-CB 3.27Å; G1032-L1034 PolarHBondContact O-N 2.99Å; G1032-L1034 VanDerWaalsContact O-N 3.07Å; L1034-K1083 HydrophobicContact CD2-CG 4.09Å
1035Y93.9Very high84.1Confident0 Ų045.4 Ų45.40%026%0.263CS..EExtended strand (participates in β ladder)trans-133.4141.8-178.9-57.1-89.2000108.6I1004 F1005 C1007 G1010 P1011 M1015 R1027 R1028 N1033 F1077I1004-Y1035 CarbonylContact C-O 3.52Å; I1004-Y1035 WeakPolarHBondContact CA-O 3.39Å; F1005-Y1035 AromaticContact CD2-CD2 3.88Å; F1005-Y1035 HydrophobicContact CD2-CD2 3.88Å; F1005-Y1035 HydrophobicContact CD2-CG 4.33Å; F1005-Y1035 AromaticContact CE2-CD2 3.42Å; F1005-Y1035 HydrophobicContact CE2-CD2 3.42Å; F1005-Y1035 VanDerWaalsContact CE2-CD2 3.42Å; F1005-Y1035 HydrophobicContact CE2-CE2 4.36Å; F1005-Y1035 AromaticContact CE2-CG 3.65Å; F1005-Y1035 HydrophobicContact CE2-CG 3.65Å; F1005-Y1035 HydrophobicContact CZ-CD2 4.07Å; F1005-Y1035 AromaticContact CZ-CG 3.79Å; F1005-Y1035 HydrophobicContact CZ-CG 3.79Å; F1005-Y1035 PolarHBondContact N-O 3.19Å; F1005-Y1035 PolarHBondContact O-N 2.75Å; C1007-Y1035 HydrophobicContact CB-CD2 4.18Å; C1007-Y1035 HydrophobicContact CB-CE2 3.86Å; G1010-Y1035 VanDerWaalsContact CA-OH 3.31Å; G1010-Y1035 WeakPolarHBondContact CA-OH 3.36Å; P1011-Y1035 WeakPolarHBondContact CD-OH 3.19Å; P1011-Y1035 HydrophobicContact CG-CE1 3.93Å; P1011-Y1035 PolarHBondContact O-OH 3.49Å; M1015-Y1035 HydrophobicContact SD-CD1 3.67Å; M1015-Y1035 HydrophobicContact SD-CE1 3.52Å; M1015-Y1035 VanDerWaalsContact SD-CE1 3.52Å; R1027-Y1035 CarbonylContact O-C 3.48Å; R1027-Y1035 WeakPolarHBondContact O-CA 3.46Å; R1027-Y1035 WeakPolarHBondContact O-CB 3.45Å; R1028-Y1035 HydrophobicContact CB-CD1 4.24Å; R1028-Y1035 HydrophobicContact CB-CE1 4.27Å; R1028-Y1035 HydrophobicContact CG-CD1 4.36Å; R1028-Y1035 HydrophobicContact CG-CE1 4.12Å; N1033-Y1035 HydrophobicContact CB-CE2 4.43Å; N1033-Y1035 WeakPolarHBondContact O-CD2 3.3Å; N1033-Y1035 WeakPolarHBondContact O-CE2 3.45Å; Y1035-F1077 HydrophobicContact CD1-CE1 4.22Å; Y1035-F1077 AromaticContact CD1-CZ 3.81Å; Y1035-F1077 HydrophobicContact CD1-CZ 3.81Å; Y1035-F1077 HydrophobicContact CD2-CE1 4.06Å; Y1035-F1077 HydrophobicContact CD2-CZ 4.4Å; Y1035-F1077 HydrophobicContact CE1-CE1 4.13Å; Y1035-F1077 AromaticContact CE1-CZ 3.95Å; Y1035-F1077 HydrophobicContact CE1-CZ 3.95Å; Y1035-F1077 AromaticContact CE2-CE1 3.96Å; Y1035-F1077 HydrophobicContact CE2-CE1 3.96Å; Y1035-F1077 HydrophobicContact CG-CE1 4.2Å; Y1035-F1077 HydrophobicContact CG-CZ 4.06Å
1036M93.9Very high82.7Confident8 Ų848.6 Ų48.64%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-109.5132.8173.4-172.4-177.9-60.900108.8P798 F1003 I1004 W1025 C1026 R1027 E1029 W1086P798-M1036 HydrophobicContact CB-SD 3.97Å; P798-M1036 HydrophobicContact CG-SD 4.27Å; F1003-M1036 CarbonylContact O-C 3.59Å; F1003-M1036 VanDerWaalsContact O-CA 3.31Å; F1003-M1036 WeakPolarHBondContact O-CA 3.45Å; I1004-M1036 HydrophobicContact CD1-CE 4.17Å; I1004-M1036 HydrophobicContact CG1-CB 4.46Å; I1004-M1036 HydrophobicContact CG1-CE 4.25Å; I1004-M1036 HydrophobicContact CG1-CG 4.38Å; W1025-M1036 HydrophobicContact CH2-CG 4.14Å; W1025-M1036 HydrophobicContact CZ3-CG 3.98Å; C1026-M1036 CarbonylContact C-O 3.51Å; C1026-M1036 WeakPolarHBondContact CA-O 3.33Å; R1027-M1036 HydrophobicContact CG-CB 4.17Å; R1027-M1036 PolarHBondContact N-O 2.84Å; R1027-M1036 VanDerWaalsContact NH2-CE 3.34Å; R1027-M1036 PolarHBondContact NH2-SD 3.39Å; R1027-M1036 VanDerWaalsContact NH2-SD 3.39Å; R1027-M1036 PolarHBondContact O-N 2.64Å; E1029-M1036 HydrophobicContact CB-CB 4.46Å; E1029-M1036 HydrophobicContact CG-CE 4.26Å; M1036-W1086 HydrophobicContact CE-CH2 3.78Å; M1036-W1086 HydrophobicContact CE-CZ2 4.35Å; M1036-W1086 HydrophobicContact SD-CH2 4.24Å; M1036-W1086 HydrophobicContact SD-CZ2 4.39Å
1037C95.3Very high81.7Confident0 Ų050 Ų500%030%0.298CS..EExtended strand (participates in β ladder)trans-144.3165.5179.865.50000111.8A1002 F1003 F1005 W1025 C1026 L1070A1002-C1037 WeakPolarHBondContact CA-O 3.48Å; F1003-C1037 PolarHBondContact N-O 3.38Å; F1003-C1037 PolarHBondContact O-N 3.17Å; F1005-C1037 HydrophobicContact CE1-CB 4.07Å; W1025-C1037 WeakPolarHBondContact CH2-O 3.33Å; W1025-C1037 VanDerWaalsContact CZ3-C 3.41Å; W1025-C1037 VanDerWaalsContact CZ3-CA 3.43Å; W1025-C1037 WeakPolarHBondContact O-CA 3.24Å; W1025-C1037 WeakPolarHBondContact O-CB 3.39Å; C1026-C1037 HydrophobicContact CB-CB 3.93Å; C1037-L1070 HydrophobicContact CB-CD1 3.99Å
1038G94Very high80.8Confident0 Ų055.3 Ų55.30%033%0.328CS..EExtended strand (participates in β ladder)trans-170-173.8174.200000109.6V1024 W1025V1024-G1038 WeakPolarHBondContact CA-O 3.47Å; W1025-G1038 VanDerWaalsContact CE2-CA 3.45Å; W1025-G1038 PolarHBondContact N-O 2.88Å; W1025-G1038 PolarHBondContact O-N 3.33Å
1039K91.2Very high80.3Confident20 Ų2058.8 Ų58.89%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-137128.9175.6176.9174158.4115.30109.5S1022 G1023 V1024 D1045 F1061 H1065 I1066S1022-K1039 PolarHBondContact O-NZ 3.07Å; G1023-K1039 WeakPolarHBondContact O-CA 2.99Å; V1024-K1039 HydrophobicContact CG2-CB 4.04Å; V1024-K1039 HydrophobicContact CG2-CD 3.91Å; V1024-K1039 HydrophobicContact CG2-CG 4.02Å; K1039-D1045 WeakPolarHBondContact CE-OD2 3.46Å; K1039-D1045 IonicContact NZ-OD1 3.52Å; K1039-D1045 PolarHBondContact NZ-OD1 3.45Å; K1039-D1045 IonicContact NZ-OD2 2.77Å; K1039-D1045 PolarHBondContact NZ-OD2 2.82Å; K1039-F1061 HydrophobicContact CB-CE1 4.25Å; K1039-F1061 HydrophobicContact CD-CZ 4.45Å; K1039-H1065 HydrophobicContact CD-CB 3.96Å; K1039-I1066 HydrophobicContact CB-CD1 4.3Å; K1039-I1066 HydrophobicContact CB-CG1 3.94Å
1040N86.4Confident80.1Confident65 Ų6556.7 Ų56.735%0.34835%0.346SS..PPolyproline II helixtrans-88.1138.7160.6-65.5-26.5000107.2G1023 S1042G1023-N1040 VanDerWaalsContact CA-O 3.29Å; G1023-N1040 WeakPolarHBondContact CA-O 3.47Å; G1023-N1040 PolarHBondContact O-N 3.22Å; N1040-S1042 PolarHBondContact O-N 3.2Å
1041P77.5Confident80.5Confident39 Ų3958.2 Ų58.225%0.25334%0.342SS..PPolyproline II helixtrans-61.7134.5176.824.3-31.7000110.3R1000 D1045 D1047R1000-P1041 VanDerWaalsContact NH2-CG 3.34Å; P1041-D1045 HydrophobicContact CB-CB 3.98Å; P1041-D1047 HydrophobicContact CB-CB 4.49Å
1042S70.4Confident81.1Confident25 Ų2552.9 Ų52.918%0.17531%0.313CS..PPolyproline II helixtrans-75169.1167.566.20000110.4N1040 D1044 D1045N1040-S1042 PolarHBondContact O-N 3.2Å; S1042-D1044 PolarHBondContact O-N 3.29Å; S1042-D1044 VanDerWaalsContact O-N 3.15Å; S1042-D1045 WeakPolarHBondContact CB-OD2 3.46Å; S1042-D1045 PolarHBondContact N-OD2 3.4Å; S1042-D1045 PolarHBondContact O-N 2.96Å; S1042-D1045 VanDerWaalsContact O-N 3.1Å; S1042-D1045 PolarHBondContact OG-OD2 2.95Å
1043N64.6Low81.4Confident134 Ų13455 Ų5572%0.71732%0.321SS*.THydrogen-bonded Turntrans-61.9-22.9179.3-63.9-27.2000113.1S1163N1043-S1163 PolarHBondContact OD1-OG 2.84Å
1044D62.5Low81.5Confident157 Ų15754.7 Ų54.784%0.8432%0.319SS*.THydrogen-bonded Turntrans-91.8-11.9179.3-63.5-32.5000113S1042S1042-D1044 PolarHBondContact O-N 3.29Å; S1042-D1044 VanDerWaalsContact O-N 3.15Å
1045D68.2Low81.4Confident54 Ų5453.8 Ų53.829%0.28931%0.314SS..SBendtrans-78.6129.3-179.9-69.9-46.3000110.5K1039 P1041 S1042 D1047K1039-D1045 WeakPolarHBondContact CE-OD2 3.46Å; K1039-D1045 IonicContact NZ-OD1 3.52Å; K1039-D1045 PolarHBondContact NZ-OD1 3.45Å; K1039-D1045 IonicContact NZ-OD2 2.77Å; K1039-D1045 PolarHBondContact NZ-OD2 2.82Å; P1041-D1045 HydrophobicContact CB-CB 3.98Å; S1042-D1045 WeakPolarHBondContact CB-OD2 3.46Å; S1042-D1045 PolarHBondContact N-OD2 3.4Å; S1042-D1045 PolarHBondContact O-N 2.96Å; S1042-D1045 VanDerWaalsContact O-N 3.1Å; S1042-D1045 PolarHBondContact OG-OD2 2.95Å; D1045-D1047 PolarHBondContact O-N 3.3Å
1046A62.2Low81.3Confident73 Ų7359.3 Ų59.360%0.60334%0.344SS*.  trans-75.891.5170.300000109.9D1048 S1049A1046-D1048 PolarHBondContact O-N 3.06Å; A1046-S1049 PolarHBondContact O-N 3.21Å; A1046-S1049 VanDerWaalsContact O-N 3.13Å; A1046-S1049 PolarHBondContact O-OG 2.67Å
1047D73.9Confident81.2Confident30 Ų3060.8 Ų60.816%0.1635%0.353CS..G310 helixtrans-57.5-21.4178.8-156.424.9000112.2R998 R1000 P1041 D1045 S1049 V1050 H1052R998-D1047 WeakPolarHBondContact CD-OD2 3.2Å; R998-D1047 IonicContact CZ-OD2 2.76Å; R998-D1047 IonicContact NE-OD2 2.67Å; R998-D1047 IonicContact NH1-OD2 2.81Å; R1000-D1047 IonicContact CZ-OD1 2.93Å; R1000-D1047 IonicContact CZ-OD2 3.24Å; R1000-D1047 IonicContact NH1-OD1 3.08Å; R1000-D1047 PolarHBondContact NH1-OD1 3.35Å; R1000-D1047 IonicContact NH1-OD2 3.91Å; R1000-D1047 PolarHBondContact NH1-OD2 2.9Å; R1000-D1047 IonicContact NH2-OD1 2.73Å; R1000-D1047 IonicContact NH2-OD2 3.85Å; R1000-D1047 PolarHBondContact NH2-OD2 3.37Å; P1041-D1047 HydrophobicContact CB-CB 4.49Å; D1045-D1047 PolarHBondContact O-N 3.3Å; D1047-S1049 PolarHBondContact O-N 3.5Å; D1047-V1050 PolarHBondContact O-N 3.38Å; D1047-H1052 PolarHBondContact O-NE2 3.22Å; D1047-H1052 IonicContact OD1-CE1 2.67Å
1048D71.6Confident81Confident129 Ų12963.9 Ų63.969%0.6937%0.37SS*.G310 helixtrans-69.9-10.3179.3-61.3-22.4000114.5R998 A1046 V1050R998-D1048 IonicContact CZ-OD1 3.41Å; R998-D1048 IonicContact NH1-OD1 3.53Å; R998-D1048 PolarHBondContact NH1-OD1 3Å; R998-D1048 IonicContact NH2-OD1 3.84Å; A1046-D1048 PolarHBondContact O-N 3.06Å; D1048-V1050 PolarHBondContact O-N 2.98Å
1049S76Confident80.9Confident91 Ų9169.4 Ų69.464%0.63639%0.391SS*.G310 helixtrans-74-14.3173.170.80000113.1A1046 D1047A1046-S1049 PolarHBondContact O-N 3.21Å; A1046-S1049 VanDerWaalsContact O-N 3.13Å; A1046-S1049 PolarHBondContact O-OG 2.67Å; D1047-S1049 PolarHBondContact O-N 3.5Å
1050V83Confident81Confident17 Ų1771.6 Ų71.610%0.10341%0.409CS..SBendtrans-93.8126.1-178.5-179.90000109.9K999 Y1001 D1047 D1048 H1052 F1061K999-V1050 HydrophobicContact CB-CG1 4.3Å; Y1001-V1050 HydrophobicContact CE2-CG1 4.3Å; D1047-V1050 PolarHBondContact O-N 3.38Å; D1048-V1050 PolarHBondContact O-N 2.98Å; V1050-H1052 PolarHBondContact O-CD2 2.81Å; V1050-H1052 PolarHBondContact O-N 2.92Å; V1050-F1061 HydrophobicContact CG2-CD2 4.4Å; V1050-F1061 HydrophobicContact CG2-CE2 4.02Å
1051D86.7Confident81.1Confident87 Ų8769.7 Ų69.747%0.46540%0.398SS..  trans-68.3103.4173.5173.618.6000111K999 S1053 N1054K999-D1051 WeakPolarHBondContact CE-O 3.39Å; K999-D1051 PolarHBondContact NZ-O 3.42Å; D1051-S1053 VanDerWaalsContact C-N 3.32Å; D1051-S1053 VanDerWaalsContact CG-OG 3.29Å; D1051-S1053 PolarHBondContact O-N 3.13Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.02Å; D1051-S1053 PolarHBondContact OD1-N 2.97Å; D1051-S1053 PolarHBondContact OD1-OG 2.81Å; D1051-S1053 PolarHBondContact OD2-OG 3.15Å; D1051-N1054 PolarHBondContact OD2-ND2 3.27Å
1052H89.9Confident81.9Confident32 Ų3268 Ų6815%0.14839%0.386CS..THydrogen-bonded Turntrans-85.97.4-179.6-55.9-49000114.6R998 K999 D1047 V1050 Y1089R998-H1052 WeakPolarHBondContact CD-NE2 3.49Å; R998-H1052 PolarHBondContact NH1-NE2 3.41Å; K999-H1052 PolarHBondContact N-ND1 2.8Å; K999-H1052 VanDerWaalsContact N-ND1 3.11Å; D1047-H1052 PolarHBondContact O-NE2 3.22Å; D1047-H1052 IonicContact OD1-CE1 2.67Å; V1050-H1052 PolarHBondContact O-CD2 2.81Å; V1050-H1052 PolarHBondContact O-N 2.92Å; H1052-Y1089 WeakPolarHBondContact O-CE1 3.48Å
1053S87.1Confident82.9Confident89 Ų8971.1 Ų71.162%0.62240%0.401SS*.THydrogen-bonded Turntrans-78.2-22.4-172.768.10000115D1051D1051-S1053 VanDerWaalsContact C-N 3.32Å; D1051-S1053 VanDerWaalsContact CG-OG 3.29Å; D1051-S1053 PolarHBondContact O-N 3.13Å; D1051-S1053 WeakPolarHBondContact OD1-CB 3.02Å; D1051-S1053 PolarHBondContact OD1-N 2.97Å; D1051-S1053 PolarHBondContact OD1-OG 2.81Å; D1051-S1053 PolarHBondContact OD2-OG 3.15Å
1054N90Very high84.1Confident41 Ų4168.2 Ų68.222%0.21939%0.391CS..SBendtrans-142.5170.5-175.958.666.2000110.1K999 D1051 D1056 Y1089K999-N1054 WeakPolarHBondContact CD-O 3.45Å; K999-N1054 PolarHBondContact NZ-O 3Å; K999-N1054 PolarHBondContact NZ-OD1 3.39Å; D1051-N1054 PolarHBondContact OD2-ND2 3.27Å; N1054-D1056 WeakPolarHBondContact OD1-CB 3.32Å; N1054-D1056 PolarHBondContact OD1-N 3.47Å; N1054-D1056 PolarHBondContact OD1-OD2 3.43Å; N1054-Y1089 WeakPolarHBondContact CA-OH 3.28Å; N1054-Y1089 PolarHBondContact N-OH 3.25Å
1055L90.9Very high85.5Confident39 Ų3964.2 Ų64.220%0.20437%0.368CS..  trans-98.827.8174.5-69.2-178.7000113N791 L796 K999 A1087 Y1089N791-L1055 WeakPolarHBondContact OD1-CD1 3.09Å; L796-L1055 HydrophobicContact CD1-CD1 4.19Å; K999-L1055 HydrophobicContact CD-CD2 4.46Å; K999-L1055 HydrophobicContact CG-CD2 4.4Å; L1055-A1087 HydrophobicContact CB-CB 4.16Å; L1055-A1087 HydrophobicContact CD2-CB 4.02Å; L1055-A1087 WeakPolarHBondContact O-CB 3.44Å; L1055-Y1089 HydrophobicContact CD1-CD2 4.12Å; L1055-Y1089 HydrophobicContact CD1-CE2 3.95Å; L1055-Y1089 HydrophobicContact CD2-CD1 3.94Å; L1055-Y1089 HydrophobicContact CD2-CD2 3.76Å; L1055-Y1089 HydrophobicContact CD2-CE1 3.77Å; L1055-Y1089 HydrophobicContact CD2-CE2 3.59Å; L1055-Y1089 HydrophobicContact CD2-CG 3.93Å; L1055-Y1089 HydrophobicContact CG-CD2 4.08Å; L1055-Y1089 HydrophobicContact CG-CE1 4.48Å; L1055-Y1089 HydrophobicContact CG-CE2 3.58Å
1056D92.5Very high86.7Confident115 Ų11561.7 Ų61.762%0.61535%0.354SS*.  trans-71.4135.9175.7-60.8-26.9000110K999 N1054K999-D1056 PolarHBondContact NZ-O 2.89Å; N1054-D1056 WeakPolarHBondContact OD1-CB 3.32Å; N1054-D1056 PolarHBondContact OD1-N 3.47Å; N1054-D1056 PolarHBondContact OD1-OD2 3.43Å
1057V92.1Very high88.3Confident39 Ų3962.4 Ų62.424%0.23634%0.341CS..  trans-79.8121.8-179.2-179.30000109.7Y1001 F1003 Y1059 A1085 A1087Y1001-V1057 HydrophobicContact CD1-CG1 4.4Å; F1003-V1057 HydrophobicContact CE1-CG1 3.93Å; F1003-V1057 HydrophobicContact CZ-CG1 4.23Å; V1057-Y1059 HydrophobicContact CB-CE2 4.16Å; V1057-Y1059 HydrophobicContact CG1-CD1 4.5Å; V1057-Y1059 HydrophobicContact CG1-CD2 4.07Å; V1057-Y1059 HydrophobicContact CG1-CE1 4.32Å; V1057-Y1059 HydrophobicContact CG1-CE2 3.87Å; V1057-Y1059 HydrophobicContact CG1-CG 4.39Å; V1057-A1085 HydrophobicContact CG1-CB 3.75Å; V1057-A1085 HydrophobicContact CG2-CB 4.44Å; V1057-A1087 HydrophobicContact CG2-CB 4.49Å
1058D91.2Very high89.2Confident66 Ų6663.9 Ų63.935%0.35335%0.352SS..  trans-93.8105.3168.4179.67.3000109.1Y1001 S1060 F1061Y1001-D1058 WeakPolarHBondContact OH-CB 3.21Å; D1058-S1060 VanDerWaalsContact C-N 3.29Å; D1058-S1060 VanDerWaalsContact CG-OG 3.26Å; D1058-S1060 PolarHBondContact O-N 3.49Å; D1058-S1060 WeakPolarHBondContact OD1-CB 3.44Å; D1058-S1060 PolarHBondContact OD1-N 3.04Å; D1058-S1060 PolarHBondContact OD1-OG 3.16Å; D1058-S1060 PolarHBondContact OD2-OG 2.83Å; D1058-F1061 HydrophobicContact CB-CB 4.3Å; D1058-F1061 WeakPolarHBondContact O-CB 3.41Å; D1058-F1061 PolarHBondContact O-N 3.41Å
1059Y92Very high90.2Very high116 Ų11659.2 Ų59.246%0.45533%0.328SS..Hα-helixtrans-70.1-26.5178.2-71.9-88.1000112.5F1003 V1057 F1061 F1062 D1063 I1082 A1085F1003-Y1059 HydrophobicContact CE1-CD1 4.18Å; F1003-Y1059 HydrophobicContact CE1-CE1 4.49Å; V1057-Y1059 HydrophobicContact CB-CE2 4.16Å; V1057-Y1059 HydrophobicContact CG1-CD1 4.5Å; V1057-Y1059 HydrophobicContact CG1-CD2 4.07Å; V1057-Y1059 HydrophobicContact CG1-CE1 4.32Å; V1057-Y1059 HydrophobicContact CG1-CE2 3.87Å; V1057-Y1059 HydrophobicContact CG1-CG 4.39Å; Y1059-F1061 PolarHBondContact O-N 3.49Å; Y1059-F1062 WeakPolarHBondContact O-CB 3.24Å; Y1059-F1062 PolarHBondContact O-N 3.19Å; Y1059-F1062 VanDerWaalsContact O-N 3.09Å; Y1059-D1063 PolarHBondContact O-N 2.82Å; Y1059-I1082 HydrophobicContact CD1-CD1 4.14Å; Y1059-I1082 HydrophobicContact CE1-CG2 4.2Å; Y1059-A1085 HydrophobicContact CE1-CB 3.88Å
1060S91.4Very high91Very high65 Ų6555 Ų5546%0.45530%0.298SS..Hα-helixtrans-66.7-25.8178.276.80000112.2D1058 F1062 D1063 S1064D1058-S1060 VanDerWaalsContact C-N 3.29Å; D1058-S1060 VanDerWaalsContact CG-OG 3.26Å; D1058-S1060 PolarHBondContact O-N 3.49Å; D1058-S1060 WeakPolarHBondContact OD1-CB 3.44Å; D1058-S1060 PolarHBondContact OD1-N 3.04Å; D1058-S1060 PolarHBondContact OD1-OG 3.16Å; D1058-S1060 PolarHBondContact OD2-OG 2.83Å; S1060-F1062 VanDerWaalsContact C-N 3.3Å; S1060-F1062 PolarHBondContact O-N 2.8Å; S1060-D1063 PolarHBondContact O-N 3.04Å; S1060-S1064 WeakPolarHBondContact O-CB 3.41Å; S1060-S1064 PolarHBondContact O-N 2.77Å; S1060-S1064 PolarHBondContact O-OG 3.26Å
1061F90.2Very high91.5Very high26 Ų2655.1 Ų55.111%0.11430%0.301CS..Hα-helixtrans-60.4-40.6172.5-173.3-90.5000111.8Y1001 K1039 V1050 D1058 Y1059 H1065 I1066Y1001-F1061 HydrophobicContact CD2-CB 4.41Å; Y1001-F1061 AromaticContact CD2-CD1 3.62Å; Y1001-F1061 HydrophobicContact CD2-CD1 3.62Å; Y1001-F1061 AromaticContact CD2-CE1 3.99Å; Y1001-F1061 HydrophobicContact CD2-CE1 3.99Å; Y1001-F1061 AromaticContact CD2-CG 3.96Å; Y1001-F1061 HydrophobicContact CD2-CG 3.96Å; Y1001-F1061 HydrophobicContact CE2-CB 4.12Å; Y1001-F1061 HydrophobicContact CE2-CD1 4.02Å; Y1001-F1061 HydrophobicContact CE2-CD2 4.23Å; Y1001-F1061 AromaticContact CE2-CG 3.85Å; Y1001-F1061 HydrophobicContact CE2-CG 3.85Å; K1039-F1061 HydrophobicContact CB-CE1 4.25Å; K1039-F1061 HydrophobicContact CD-CZ 4.45Å; V1050-F1061 HydrophobicContact CG2-CD2 4.4Å; V1050-F1061 HydrophobicContact CG2-CE2 4.02Å; D1058-F1061 HydrophobicContact CB-CB 4.3Å; D1058-F1061 WeakPolarHBondContact O-CB 3.41Å; D1058-F1061 PolarHBondContact O-N 3.41Å; Y1059-F1061 PolarHBondContact O-N 3.49Å; F1061-H1065 AromaticContact CD2-ND1 3.55Å; F1061-H1065 HydrophobicContact CE1-CB 4.26Å; F1061-H1065 HydrophobicContact CE2-CB 4.41Å; F1061-H1065 AromaticContact CE2-ND1 3.77Å; F1061-H1065 AromaticContact CG-ND1 3.99Å; F1061-H1065 HydrophobicContact CZ-CB 4.18Å; F1061-H1065 WeakPolarHBondContact O-CB 3.29Å; F1061-H1065 PolarHBondContact O-N 2.95Å; F1061-H1065 PolarHBondContact O-ND1 2.64Å; F1061-I1066 HydrophobicContact CD1-CD1 4.18Å; F1061-I1066 HydrophobicContact CE1-CD1 4.14Å; F1061-I1066 HydrophobicContact CE1-CG1 4.35Å
1062F92.7Very high91.7Very high2 Ų259.1 Ų59.11%0.00932%0.315CS..Iπ-helixtrans-62.7-50.9177.1177.6-89.9000111.1F1003 Y1059 S1060 S1064 I1066 W1067 L1080 I1082F1003-F1062 HydrophobicContact CB-CD2 4.02Å; F1003-F1062 HydrophobicContact CB-CE2 4.21Å; F1003-F1062 HydrophobicContact CD1-CB 4.21Å; F1003-F1062 HydrophobicContact CD1-CD2 4.02Å; F1003-F1062 HydrophobicContact CD1-CG 4.34Å; F1003-F1062 HydrophobicContact CD2-CB 4.41Å; F1003-F1062 AromaticContact CD2-CD2 3.78Å; F1003-F1062 HydrophobicContact CD2-CD2 3.78Å; F1003-F1062 HydrophobicContact CE1-CB 3.85Å; F1003-F1062 HydrophobicContact CE1-CD2 4.47Å; F1003-F1062 HydrophobicContact CE1-CG 4.46Å; F1003-F1062 HydrophobicContact CE2-CB 4.01Å; F1003-F1062 HydrophobicContact CE2-CD2 4.21Å; F1003-F1062 AromaticContact CG-CD2 3.67Å; F1003-F1062 HydrophobicContact CG-CD2 3.67Å; F1003-F1062 HydrophobicContact CG-CE2 4.35Å; F1003-F1062 HydrophobicContact CG-CG 4.41Å; F1003-F1062 HydrophobicContact CZ-CB 3.75Å; Y1059-F1062 WeakPolarHBondContact O-CB 3.24Å; Y1059-F1062 PolarHBondContact O-N 3.19Å; Y1059-F1062 VanDerWaalsContact O-N 3.09Å; S1060-F1062 VanDerWaalsContact C-N 3.3Å; S1060-F1062 PolarHBondContact O-N 2.8Å; F1062-S1064 PolarHBondContact O-N 3.04Å; F1062-I1066 HydrophobicContact CD2-CB 3.87Å; F1062-I1066 HydrophobicContact CD2-CD1 4.1Å; F1062-I1066 HydrophobicContact CD2-CG2 3.81Å; F1062-I1066 HydrophobicContact CE2-CB 4.22Å; F1062-I1066 HydrophobicContact CE2-CG2 3.69Å; F1062-I1066 HydrophobicContact CG-CB 4.42Å; F1062-I1066 PolarHBondContact O-N 2.78Å; F1062-W1067 HydrophobicContact CD1-CB 3.99Å; F1062-W1067 HydrophobicContact CE1-CB 3.62Å; F1062-W1067 HydrophobicContact CE1-CG 4.14Å; F1062-W1067 HydrophobicContact CZ-CB 4.17Å; F1062-W1067 PolarHBondContact O-N 3.34Å; F1062-L1080 HydrophobicContact CE1-CD1 3.72Å; F1062-L1080 HydrophobicContact CZ-CD1 3.57Å; F1062-L1080 HydrophobicContact CZ-CD2 3.97Å; F1062-L1080 HydrophobicContact CZ-CG 4.45Å; F1062-I1082 HydrophobicContact CB-CD1 4.32Å; F1062-I1082 HydrophobicContact CD1-CD1 3.55Å; F1062-I1082 HydrophobicContact CD1-CG1 4.26Å; F1062-I1082 HydrophobicContact CD2-CD1 4.31Å; F1062-I1082 HydrophobicContact CE1-CD1 3.84Å; F1062-I1082 HydrophobicContact CE1-CG1 4.03Å; F1062-I1082 HydrophobicContact CG-CD1 3.8Å; F1062-I1082 HydrophobicContact CZ-CD1 4.36Å; F1062-I1082 HydrophobicContact CZ-CG1 4.23Å
1063D92Very high91.5Very high91 Ų9162 Ų6249%0.48732%0.324SS..Iπ-helixtrans-63-33.3-177.7-64.4-37.6000112.2Y1059 S1060 P1068Y1059-D1063 PolarHBondContact O-N 2.82Å; S1060-D1063 PolarHBondContact O-N 3.04Å; D1063-P1068 VanDerWaalsContact O-CD 3.26Å; D1063-P1068 WeakPolarHBondContact O-CD 3.4Å; D1063-P1068 WeakPolarHBondContact O-CG 3.21Å
1064S90.9Very high91.6Very high74 Ų7459.2 Ų59.252%0.51730%0.304SS..Iπ-helixtrans-87.8-37.6-175.5-54.20000113.5S1060 F1062S1060-S1064 WeakPolarHBondContact O-CB 3.41Å; S1060-S1064 PolarHBondContact O-N 2.77Å; S1060-S1064 PolarHBondContact O-OG 3.26Å; F1062-S1064 PolarHBondContact O-N 3.04Å
1065H90.4Very high91.6Very high73 Ų7361.9 Ų61.934%0.33832%0.323SS..Iπ-helixtrans-118.8-21.5-167.6-55.590.2000114.9V1024 K1039 F1061V1024-H1065 WeakPolarHBondContact CG2-O 3.37Å; K1039-H1065 HydrophobicContact CD-CB 3.96Å; F1061-H1065 AromaticContact CD2-ND1 3.55Å; F1061-H1065 HydrophobicContact CE1-CB 4.26Å; F1061-H1065 HydrophobicContact CE2-CB 4.41Å; F1061-H1065 AromaticContact CE2-ND1 3.77Å; F1061-H1065 AromaticContact CG-ND1 3.99Å; F1061-H1065 HydrophobicContact CZ-CB 4.18Å; F1061-H1065 WeakPolarHBondContact O-CB 3.29Å; F1061-H1065 PolarHBondContact O-N 2.95Å; F1061-H1065 PolarHBondContact O-ND1 2.64Å
1066I93.7Very high91.6Very high0 Ų061.6 Ų61.60%033%0.326CS..Iπ-helixtrans-108.3-55.4-175.6-62.6173.6000110.6F1003 V1024 K1039 F1061 F1062 V1069 L1070F1003-I1066 HydrophobicContact CD2-CD1 3.74Å; F1003-I1066 HydrophobicContact CE2-CD1 3.7Å; V1024-I1066 HydrophobicContact CG1-CG2 4.23Å; K1039-I1066 HydrophobicContact CB-CD1 4.3Å; K1039-I1066 HydrophobicContact CB-CG1 3.94Å; F1061-I1066 HydrophobicContact CD1-CD1 4.18Å; F1061-I1066 HydrophobicContact CE1-CD1 4.14Å; F1061-I1066 HydrophobicContact CE1-CG1 4.35Å; F1062-I1066 HydrophobicContact CD2-CB 3.87Å; F1062-I1066 HydrophobicContact CD2-CD1 4.1Å; F1062-I1066 HydrophobicContact CD2-CG2 3.81Å; F1062-I1066 HydrophobicContact CE2-CB 4.22Å; F1062-I1066 HydrophobicContact CE2-CG2 3.69Å; F1062-I1066 HydrophobicContact CG-CB 4.42Å; F1062-I1066 PolarHBondContact O-N 2.78Å; I1066-V1069 PolarHBondContact O-N 2.81Å; I1066-L1070 HydrophobicContact CG2-CD1 3.61Å; I1066-L1070 HydrophobicContact CG2-CG 3.99Å; I1066-L1070 WeakPolarHBondContact O-CG 3.36Å; I1066-L1070 PolarHBondContact O-N 2.79Å
1067W95.6Very high91.6Very high89 Ų8956.1 Ų56.134%0.33730%0.297SS..Hα-helixtrans-56.8-44.8-174.2179.468.3000114F1062 V1069 L1070 A1071F1062-W1067 HydrophobicContact CD1-CB 3.99Å; F1062-W1067 HydrophobicContact CE1-CB 3.62Å; F1062-W1067 HydrophobicContact CE1-CG 4.14Å; F1062-W1067 HydrophobicContact CZ-CB 4.17Å; F1062-W1067 PolarHBondContact O-N 3.34Å; W1067-V1069 VanDerWaalsContact C-N 3.27Å; W1067-V1069 PolarHBondContact O-N 2.81Å; W1067-L1070 PolarHBondContact O-N 2.87Å; W1067-A1071 WeakPolarHBondContact O-CB 3.49Å; W1067-A1071 PolarHBondContact O-N 2.83Å
1068P94.2Very high91.6Very high61 Ų6160.5 Ų60.540%0.39632%0.315SS..Hα-helixtrans-62.3-35.4-179.4-23.735.8000112.6D1063 K1072D1063-P1068 VanDerWaalsContact O-CD 3.26Å; D1063-P1068 WeakPolarHBondContact O-CD 3.4Å; D1063-P1068 WeakPolarHBondContact O-CG 3.21Å; P1068-K1072 WeakPolarHBondContact O-CB 3.42Å; P1068-K1072 PolarHBondContact O-N 3.11Å; P1068-K1072 VanDerWaalsContact O-N 3.15Å
1069V92.1Very high91.5Very high31 Ų3164.7 Ų64.719%0.18833%0.33CS..Hα-helixtrans-71.4-47.3177.2-177.70000110.1D1020 V1024 I1066 W1067 K1072 R1073D1020-V1069 HydrophobicContact CB-CG1 4.18Å; V1024-V1069 HydrophobicContact CB-CB 4.37Å; V1024-V1069 HydrophobicContact CB-CG1 4.07Å; V1024-V1069 HydrophobicContact CG1-CB 4.49Å; V1024-V1069 HydrophobicContact CG1-CG1 4.36Å; V1024-V1069 HydrophobicContact CG2-CB 4.05Å; V1024-V1069 HydrophobicContact CG2-CG1 4.22Å; V1024-V1069 HydrophobicContact CG2-CG2 4.09Å; I1066-V1069 PolarHBondContact O-N 2.81Å; W1067-V1069 VanDerWaalsContact C-N 3.27Å; W1067-V1069 PolarHBondContact O-N 2.81Å; V1069-K1072 PolarHBondContact O-N 2.85Å; V1069-R1073 HydrophobicContact CG1-CG 4.35Å; V1069-R1073 WeakPolarHBondContact O-CG 3.48Å; V1069-R1073 PolarHBondContact O-N 2.86Å
1070L93.3Very high91.7Very high1 Ų160.1 Ų60.11%0.00531%0.313CS..Hα-helixtrans-62.2-47.5179.4-70.3-173.4000112.5F1005 V1024 C1026 C1037 I1066 W1067 K1072 R1073 V1074 F1077F1005-L1070 HydrophobicContact CE1-CD1 3.85Å; F1005-L1070 HydrophobicContact CZ-CD1 4.26Å; V1024-L1070 HydrophobicContact CG1-CD2 3.71Å; V1024-L1070 HydrophobicContact CG1-CG 4.06Å; C1026-L1070 HydrophobicContact CB-CD2 3.68Å; C1037-L1070 HydrophobicContact CB-CD1 3.99Å; I1066-L1070 HydrophobicContact CG2-CD1 3.61Å; I1066-L1070 HydrophobicContact CG2-CG 3.99Å; I1066-L1070 WeakPolarHBondContact O-CG 3.36Å; I1066-L1070 PolarHBondContact O-N 2.79Å; W1067-L1070 PolarHBondContact O-N 2.87Å; L1070-K1072 VanDerWaalsContact C-N 3.29Å; L1070-K1072 PolarHBondContact O-N 3.46Å; L1070-R1073 PolarHBondContact O-N 2.76Å; L1070-V1074 PolarHBondContact O-N 3.24Å; L1070-F1077 HydrophobicContact CB-CB 4.47Å; L1070-F1077 HydrophobicContact CB-CD2 4.06Å
1071A92.3Very high91.7Very high20 Ų2064 Ų6417%0.16532%0.322CS..Hα-helixtrans-62.5-36.8177.600000111.8W1067 V1074 P1075 E1078W1067-A1071 WeakPolarHBondContact O-CB 3.49Å; W1067-A1071 PolarHBondContact O-N 2.83Å; A1071-V1074 CarbonylContact O-C 3.57Å; A1071-P1075 WeakPolarHBondContact O-CA 3.44Å; A1071-E1078 HydrophobicContact CB-CB 4.47Å
1072K90.9Very high91.9Very high171 Ų17165.3 Ų65.374%0.74333%0.329SS*.Hα-helixtrans-68-40175.2-177.9179.7179.2-1780112.8P1068 V1069 L1070P1068-K1072 WeakPolarHBondContact O-CB 3.42Å; P1068-K1072 PolarHBondContact O-N 3.11Å; P1068-K1072 VanDerWaalsContact O-N 3.15Å; V1069-K1072 PolarHBondContact O-N 2.85Å; L1070-K1072 VanDerWaalsContact C-N 3.29Å; L1070-K1072 PolarHBondContact O-N 3.46Å
1073R87Confident92Very high94 Ų9471.7 Ų71.736%0.35536%0.357SS..Hα-helixtrans-79-38-178.3-68.2-57-171.3179.75.5112.8L848 L1018 D1020 V1069 L1070L848-R1073 HydrophobicContact CD1-CG 4.32Å; L1018-R1073 HydrophobicContact CD2-CB 4.46Å; D1020-R1073 IonicContact OD1-CZ 2.73Å; D1020-R1073 IonicContact OD1-NE 3.91Å; D1020-R1073 PolarHBondContact OD1-NE 2.98Å; D1020-R1073 IonicContact OD1-NH2 2.66Å; D1020-R1073 PolarHBondContact OD1-NH2 2.64Å; D1020-R1073 IonicContact OD2-NH2 3.83Å; V1069-R1073 HydrophobicContact CG1-CG 4.35Å; V1069-R1073 WeakPolarHBondContact O-CG 3.48Å; V1069-R1073 PolarHBondContact O-N 2.86Å; L1070-R1073 PolarHBondContact O-N 2.76Å
1074V88.9Confident92.1Very high30 Ų3071.6 Ų71.618%0.18236%0.357CS..SBendtrans-129.994.4-178.8-176.10000107.6P1011 L1070 A1071 A1076 F1077P1011-V1074 HydrophobicContact CG-CG1 4.47Å; L1070-V1074 PolarHBondContact O-N 3.24Å; A1071-V1074 CarbonylContact O-C 3.57Å; V1074-A1076 HydrophobicContact CG1-CB 4.37Å; V1074-A1076 PolarHBondContact O-N 3.02Å; V1074-F1077 HydrophobicContact CB-CB 4.47Å; V1074-F1077 HydrophobicContact CB-CD2 3.53Å; V1074-F1077 HydrophobicContact CB-CE2 3.82Å; V1074-F1077 HydrophobicContact CB-CG 3.96Å; V1074-F1077 HydrophobicContact CB-CZ 4.49Å; V1074-F1077 HydrophobicContact CG1-CD1 4.15Å; V1074-F1077 HydrophobicContact CG1-CD2 3.91Å; V1074-F1077 HydrophobicContact CG1-CE1 4.23Å; V1074-F1077 HydrophobicContact CG1-CE2 3.98Å; V1074-F1077 HydrophobicContact CG1-CG 3.99Å; V1074-F1077 HydrophobicContact CG1-CZ 4.15Å; V1074-F1077 HydrophobicContact CG2-CD2 4.05Å; V1074-F1077 HydrophobicContact CG2-CE2 3.91Å; V1074-F1077 VanDerWaalsContact O-CB 3.27Å; V1074-F1077 WeakPolarHBondContact O-CB 3.36Å; V1074-F1077 PolarHBondContact O-N 2.93Å
1075P89.3Confident92.3Very high96 Ų9668.6 Ų68.662%0.62334%0.336SS*.G310 helixtrans-53-30.5-174.5-3136.5000115.1A1071 F1077 E1078A1071-P1075 WeakPolarHBondContact O-CA 3.44Å; P1075-F1077 PolarHBondContact O-N 3.35Å; P1075-E1078 VanDerWaalsContact O-CB 3.31Å; P1075-E1078 WeakPolarHBondContact O-CB 3.47Å; P1075-E1078 PolarHBondContact O-N 3.02Å; P1075-E1078 VanDerWaalsContact O-N 3.13Å
1076A90Very high92.5Very high33 Ų3367.8 Ų67.827%0.27333%0.33SS..G310 helixtrans-58.7-28.2174.700000113.8C1007 D1009 V1074 E1078 K1079C1007-A1076 PolarHBondContact SG-O 2.99Å; D1009-A1076 HydrophobicContact CB-CB 4.49Å; D1009-A1076 WeakPolarHBondContact O-CB 3.19Å; V1074-A1076 HydrophobicContact CG1-CB 4.37Å; V1074-A1076 PolarHBondContact O-N 3.02Å; A1076-E1078 PolarHBondContact O-N 3.14Å; A1076-K1079 PolarHBondContact O-N 2.98Å
1077F94.3Very high92.4Very high0 Ų068 Ų680%033%0.332CS..G310 helixtrans-71.9-6.7179-70.4-11.8000113.9F1005 C1007 P1011 M1015 Y1035 L1070 V1074 P1075 K1079 L1080F1005-F1077 AromaticContact CE2-CD1 3.73Å; F1005-F1077 HydrophobicContact CE2-CD1 3.73Å; F1005-F1077 HydrophobicContact CE2-CD2 4.48Å; F1005-F1077 AromaticContact CE2-CE1 3.64Å; F1005-F1077 HydrophobicContact CE2-CE1 3.64Å; F1005-F1077 HydrophobicContact CE2-CE2 4.42Å; F1005-F1077 HydrophobicContact CE2-CG 4.16Å; F1005-F1077 HydrophobicContact CE2-CZ 4.02Å; F1005-F1077 HydrophobicContact CZ-CD1 4.09Å; F1005-F1077 HydrophobicContact CZ-CD2 4.03Å; F1005-F1077 AromaticContact CZ-CE1 3.91Å; F1005-F1077 HydrophobicContact CZ-CE1 3.91Å; F1005-F1077 AromaticContact CZ-CE2 3.86Å; F1005-F1077 HydrophobicContact CZ-CE2 3.86Å; F1005-F1077 HydrophobicContact CZ-CG 4.15Å; F1005-F1077 AromaticContact CZ-CZ 3.79Å; F1005-F1077 HydrophobicContact CZ-CZ 3.79Å; C1007-F1077 HydrophobicContact CB-CD1 3.99Å; C1007-F1077 HydrophobicContact CB-CE1 4.16Å; P1011-F1077 HydrophobicContact CG-CE1 4.42Å; P1011-F1077 HydrophobicContact CG-CZ 4.14Å; M1015-F1077 HydrophobicContact CE-CE2 4.09Å; M1015-F1077 HydrophobicContact CE-CZ 4.02Å; M1015-F1077 HydrophobicContact SD-CZ 4.33Å; Y1035-F1077 HydrophobicContact CD1-CE1 4.22Å; Y1035-F1077 AromaticContact CD1-CZ 3.81Å; Y1035-F1077 HydrophobicContact CD1-CZ 3.81Å; Y1035-F1077 HydrophobicContact CD2-CE1 4.06Å; Y1035-F1077 HydrophobicContact CD2-CZ 4.4Å; Y1035-F1077 HydrophobicContact CE1-CE1 4.13Å; Y1035-F1077 AromaticContact CE1-CZ 3.95Å; Y1035-F1077 HydrophobicContact CE1-CZ 3.95Å; Y1035-F1077 AromaticContact CE2-CE1 3.96Å; Y1035-F1077 HydrophobicContact CE2-CE1 3.96Å; Y1035-F1077 HydrophobicContact CG-CE1 4.2Å; Y1035-F1077 HydrophobicContact CG-CZ 4.06Å; L1070-F1077 HydrophobicContact CB-CB 4.47Å; L1070-F1077 HydrophobicContact CB-CD2 4.06Å; V1074-F1077 HydrophobicContact CB-CB 4.47Å; V1074-F1077 HydrophobicContact CB-CD2 3.53Å; V1074-F1077 HydrophobicContact CB-CE2 3.82Å; V1074-F1077 HydrophobicContact CB-CG 3.96Å; V1074-F1077 HydrophobicContact CB-CZ 4.49Å; V1074-F1077 HydrophobicContact CG1-CD1 4.15Å; V1074-F1077 HydrophobicContact CG1-CD2 3.91Å; V1074-F1077 HydrophobicContact CG1-CE1 4.23Å; V1074-F1077 HydrophobicContact CG1-CE2 3.98Å; V1074-F1077 HydrophobicContact CG1-CG 3.99Å; V1074-F1077 HydrophobicContact CG1-CZ 4.15Å; V1074-F1077 HydrophobicContact CG2-CD2 4.05Å; V1074-F1077 HydrophobicContact CG2-CE2 3.91Å; V1074-F1077 VanDerWaalsContact O-CB 3.27Å; V1074-F1077 WeakPolarHBondContact O-CB 3.36Å; V1074-F1077 PolarHBondContact O-N 2.93Å; P1075-F1077 PolarHBondContact O-N 3.35Å; F1077-K1079 PolarHBondContact O-N 3.31Å; F1077-L1080 HydrophobicContact CB-CD2 4Å; F1077-L1080 HydrophobicContact CG-CD2 4.46Å; F1077-L1080 WeakPolarHBondContact O-CB 3.46Å; F1077-L1080 WeakPolarHBondContact O-CD2 2.99Å; F1077-L1080 WeakPolarHBondContact O-CG 3.17Å; F1077-L1080 PolarHBondContact O-N 3.04Å
1078E92Very high92.3Very high132 Ų13264.2 Ų64.262%0.61732%0.318SS*.G310 helixtrans-56.4-31.9171.5-168.7176.8-167.300112.3A1071 P1075 A1076A1071-E1078 HydrophobicContact CB-CB 4.47Å; P1075-E1078 VanDerWaalsContact O-CB 3.31Å; P1075-E1078 WeakPolarHBondContact O-CB 3.47Å; P1075-E1078 PolarHBondContact O-N 3.02Å; P1075-E1078 VanDerWaalsContact O-N 3.13Å; A1076-E1078 PolarHBondContact O-N 3.14Å
1079K89.4Confident92.2Very high153 Ų15362.1 Ų62.167%0.66530%0.302SS*.G310 helixtrans-102.517.5-179.4-58.9-179.3-175.3169.50114.4A1076 F1077A1076-K1079 PolarHBondContact O-N 2.98Å; F1077-K1079 PolarHBondContact O-N 3.31Å
1080L94.3Very high92.1Very high21 Ų2160.8 Ų60.811%0.1130%0.295CS..  trans-62.2157.3-17966.675.6000112.5F1005 C1007 F1062 F1077F1005-L1080 HydrophobicContact CB-CB 4.44Å; F1005-L1080 HydrophobicContact CB-CD1 4.15Å; F1005-L1080 HydrophobicContact CD1-CD2 4.13Å; F1005-L1080 HydrophobicContact CD2-CB 3.53Å; F1005-L1080 HydrophobicContact CD2-CD2 3.79Å; F1005-L1080 HydrophobicContact CD2-CG 4.17Å; F1005-L1080 HydrophobicContact CE1-CD2 4.11Å; F1005-L1080 HydrophobicContact CE2-CB 3.94Å; F1005-L1080 HydrophobicContact CE2-CD2 3.76Å; F1005-L1080 HydrophobicContact CG-CB 4.15Å; F1005-L1080 HydrophobicContact CG-CD1 4.3Å; F1005-L1080 HydrophobicContact CG-CD2 3.95Å; F1005-L1080 HydrophobicContact CG-CG 4.39Å; F1005-L1080 HydrophobicContact CZ-CD2 3.91Å; C1007-L1080 HydrophobicContact CB-CB 4.26Å; F1062-L1080 HydrophobicContact CE1-CD1 3.72Å; F1062-L1080 HydrophobicContact CZ-CD1 3.57Å; F1062-L1080 HydrophobicContact CZ-CD2 3.97Å; F1062-L1080 HydrophobicContact CZ-CG 4.45Å; F1077-L1080 HydrophobicContact CB-CD2 4Å; F1077-L1080 HydrophobicContact CG-CD2 4.46Å; F1077-L1080 WeakPolarHBondContact O-CB 3.46Å; F1077-L1080 WeakPolarHBondContact O-CD2 2.99Å; F1077-L1080 WeakPolarHBondContact O-CG 3.17Å; F1077-L1080 PolarHBondContact O-N 3.04Å
1081K92.9Very high92.1Very high146 Ų14660.9 Ų60.964%0.63530%0.295SS*.EExtended strand (participates in β ladder)trans-130.9119.6172.6-66.2-173.5179-176.60110.3F1005 H1006 K1083F1005-K1081 CarbonylContact C-O 3.42Å; F1005-K1081 VanDerWaalsContact CA-O 3.3Å; F1005-K1081 WeakPolarHBondContact CA-O 3.3Å; F1005-K1081 WeakPolarHBondContact CB-O 3.43Å; H1006-K1081 PolarHBondContact N-O 2.99Å; H1006-K1081 PolarHBondContact O-N 2.86Å; K1081-K1083 PolarHBondContact O-N 2.8Å
1082I94.7Very high92Very high53 Ų5360.9 Ų60.927%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-58.4134.8173.6-56.3175.7000109.1F1003 Y1059 F1062F1003-I1082 HydrophobicContact CD1-CD1 4.21Å; F1003-I1082 HydrophobicContact CD1-CG2 4.39Å; Y1059-I1082 HydrophobicContact CD1-CD1 4.14Å; Y1059-I1082 HydrophobicContact CE1-CG2 4.2Å; F1062-I1082 HydrophobicContact CB-CD1 4.32Å; F1062-I1082 HydrophobicContact CD1-CD1 3.55Å; F1062-I1082 HydrophobicContact CD1-CG1 4.26Å; F1062-I1082 HydrophobicContact CD2-CD1 4.31Å; F1062-I1082 HydrophobicContact CE1-CD1 3.84Å; F1062-I1082 HydrophobicContact CE1-CG1 4.03Å; F1062-I1082 HydrophobicContact CG-CD1 3.8Å; F1062-I1082 HydrophobicContact CZ-CD1 4.36Å; F1062-I1082 HydrophobicContact CZ-CG1 4.23Å
1083K93.6Very high92Very high136 Ų13652.9 Ų52.959%0.59126%0.258SS*.EExtended strand (participates in β ladder)trans-113.4-36178.8-72.1-60.6-171176.10112.4I1004 H1006 L1034 K1081I1004-K1083 HydrophobicContact CG2-CB 4.46Å; I1004-K1083 PolarHBondContact O-N 3.2Å; H1006-K1083 HydrophobicContact CB-CD 4.28Å; H1006-K1083 HydrophobicContact CB-CG 3.68Å; L1034-K1083 HydrophobicContact CD2-CG 4.09Å; K1081-K1083 PolarHBondContact O-N 2.8Å
1084N93.9Very high92.1Very high89 Ų8953.2 Ų53.248%0.47626%0.264SS..EExtended strand (participates in β ladder)trans-151.8157.3177-162.18.2000109.4I1004I1004-N1084 HydrophobicContact CB-CB 4.19Å; I1004-N1084 PolarHBondContact N-O 2.84Å; I1004-N1084 PolarHBondContact O-N 2.72Å; I1004-N1084 VanDerWaalsContact O-N 3.08Å; I1004-N1084 VanDerWaalsContact O-O 3.11Å
1085A95Very high92.1Very high11 Ų1153.4 Ų53.49%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-154.7146.5173.100000109.3A1002 F1003 V1057 Y1059A1002-A1085 VanDerWaalsContact O-CA 3.27Å; A1002-A1085 WeakPolarHBondContact O-CA 3.35Å; F1003-A1085 HydrophobicContact CD1-CB 3.4Å; F1003-A1085 HydrophobicContact CE1-CB 3.68Å; F1003-A1085 HydrophobicContact CG-CB 4.24Å; V1057-A1085 HydrophobicContact CG1-CB 3.75Å; V1057-A1085 HydrophobicContact CG2-CB 4.44Å; Y1059-A1085 HydrophobicContact CE1-CB 3.88Å
1086W95Very high92Very high57 Ų5749.3 Ų49.322%0.21624%0.235CC..EExtended strand (participates in β ladder)trans-145.7159.6170.464.496000109.6L796 A1002 I1004 M1036L796-W1086 PolarHBondContact O-NE1 3.18Å; A1002-W1086 HydrophobicContact CB-CD2 4.07Å; A1002-W1086 HydrophobicContact CB-CH2 4.11Å; A1002-W1086 HydrophobicContact CB-CZ2 3.55Å; A1002-W1086 PolarHBondContact N-O 3.44Å; A1002-W1086 PolarHBondContact O-N 3.35Å; I1004-W1086 HydrophobicContact CD1-CH2 3.84Å; I1004-W1086 HydrophobicContact CD1-CZ3 3.6Å; I1004-W1086 HydrophobicContact CG1-CH2 4.01Å; I1004-W1086 HydrophobicContact CG1-CZ3 3.76Å; M1036-W1086 HydrophobicContact CE-CH2 3.78Å; M1036-W1086 HydrophobicContact CE-CZ2 4.35Å; M1036-W1086 HydrophobicContact SD-CH2 4.24Å; M1036-W1086 HydrophobicContact SD-CZ2 4.39Å
1087A93Very high91.9Very high5 Ų548.3 Ų48.34%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-104.8157.3170.400000110.3K999 R1000 Y1001 L1055 V1057K999-A1087 HydrophobicContact CD-CB 3.83Å; K999-A1087 HydrophobicContact CG-CB 3.92Å; R1000-A1087 CarbonylContact O-C 3.57Å; R1000-A1087 WeakPolarHBondContact O-CA 3.37Å; Y1001-A1087 HydrophobicContact CD1-CB 3.77Å; Y1001-A1087 HydrophobicContact CE1-CB 3.9Å; L1055-A1087 HydrophobicContact CB-CB 4.16Å; L1055-A1087 HydrophobicContact CD2-CB 4.02Å; L1055-A1087 WeakPolarHBondContact O-CB 3.44Å; V1057-A1087 HydrophobicContact CG2-CB 4.49Å
1088Y92.4Very high91.8Very high9 Ų948.3 Ų48.34%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-148.1157.1174.463.6-83.8000110.7L796 A797 P798 K999 R1000 A1002L796-Y1088 VanDerWaalsContact CB-CB 3.44Å; L796-Y1088 HydrophobicContact CB-CG 4.32Å; A797-Y1088 HydrophobicContact CB-CD2 3.88Å; A797-Y1088 HydrophobicContact CB-CE2 3.74Å; P798-Y1088 WeakPolarHBondContact CD-OH 3Å; P798-Y1088 HydrophobicContact CG-CE1 4.44Å; K999-Y1088 WeakPolarHBondContact CA-O 3.22Å; R1000-Y1088 HydrophobicContact CB-CD1 4.27Å; R1000-Y1088 HydrophobicContact CB-CD2 4.27Å; R1000-Y1088 HydrophobicContact CB-CE1 3.74Å; R1000-Y1088 HydrophobicContact CB-CE2 3.75Å; R1000-Y1088 VanDerWaalsContact CB-CZ 3.45Å; R1000-Y1088 HydrophobicContact CG-CE2 4.25Å; R1000-Y1088 PolarHBondContact N-O 3.22Å; R1000-Y1088 PolarHBondContact O-N 2.94Å; A1002-Y1088 HydrophobicContact CB-CE1 4.19Å
1089Y92.5Very high91.9Very high17 Ų1742.2 Ų42.27%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-88.2124.7172.2-66.2-58.7000110.3T793 R997 K999 H1052 N1054 L1055T793-Y1089 WeakPolarHBondContact CB-O 3.32Å; T793-Y1089 WeakPolarHBondContact CG2-O 3.37Å; T793-Y1089 PolarHBondContact OG1-O 3.17Å; R997-Y1089 HydrophobicContact CB-CD1 4.06Å; R997-Y1089 HydrophobicContact CB-CG 4.32Å; K999-Y1089 HydrophobicContact CB-CE1 4.4Å; H1052-Y1089 WeakPolarHBondContact O-CE1 3.48Å; N1054-Y1089 WeakPolarHBondContact CA-OH 3.28Å; N1054-Y1089 PolarHBondContact N-OH 3.25Å; L1055-Y1089 HydrophobicContact CD1-CD2 4.12Å; L1055-Y1089 HydrophobicContact CD1-CE2 3.95Å; L1055-Y1089 HydrophobicContact CD2-CD1 3.94Å; L1055-Y1089 HydrophobicContact CD2-CD2 3.76Å; L1055-Y1089 HydrophobicContact CD2-CE1 3.77Å; L1055-Y1089 HydrophobicContact CD2-CE2 3.59Å; L1055-Y1089 HydrophobicContact CD2-CG 3.93Å; L1055-Y1089 HydrophobicContact CG-CD2 4.08Å; L1055-Y1089 HydrophobicContact CG-CE1 4.48Å; L1055-Y1089 HydrophobicContact CG-CE2 3.58Å
1090A90.6Very high92.1Very high3 Ų335 Ų353%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-88.4140.7162.900000109.5R998 R1000 V1092R998-A1090 PolarHBondContact N-O 2.67Å; R998-A1090 PolarHBondContact O-N 2.76Å; R1000-A1090 HydrophobicContact CG-CB 3.85Å; A1090-V1092 HydrophobicContact CB-CG2 3.91Å; A1090-V1092 PolarHBondContact O-N 2.84Å
1091D91.4Very high92.2Very high3 Ų334 Ų342%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-83.787.7170.859.9-41.5000109.3G970 I995 G1115 F1116 N1117G970-D1091 VanDerWaalsContact C-CB 3.43Å; I995-D1091 HydrophobicContact CG2-CB 4.03Å; D1091-G1115 CarbonylContact O-C 3.55Å; D1091-G1115 VanDerWaalsContact O-C 3.24Å; D1091-G1115 VanDerWaalsContact O-CA 3.22Å; D1091-G1115 WeakPolarHBondContact O-CA 3.15Å; D1091-G1115 WeakPolarHBondContact OD2-CA 3.19Å; D1091-G1115 PolarHBondContact OD2-N 2.67Å; D1091-F1116 PolarHBondContact O-N 3.29Å; D1091-F1116 PolarHBondContact OD2-N 3.41Å; D1091-N1117 PolarHBondContact O-N 2.89Å; D1091-N1117 PolarHBondContact O-OD1 3.46Å
1092V90.6Very high92.2Very high20 Ų2027 Ų2712%0.12113%0.133CC..EExtended strand (participates in β ladder)trans-92.5124.5-172.3177.70000110.6I995 V996 R998 A1090 N1117I995-V1092 CarbonylContact C-O 3.58Å; I995-V1092 VanDerWaalsContact CA-O 3.31Å; I995-V1092 WeakPolarHBondContact CA-O 3.49Å; V996-V1092 HydrophobicContact CG2-CB 4.32Å; V996-V1092 PolarHBondContact N-O 2.81Å; V996-V1092 PolarHBondContact O-N 3Å; R998-V1092 HydrophobicContact CB-CB 4.36Å; R998-V1092 HydrophobicContact CB-CG2 3.79Å; R998-V1092 HydrophobicContact CG-CB 3.92Å; R998-V1092 HydrophobicContact CG-CG1 4.47Å; R998-V1092 HydrophobicContact CG-CG2 3.9Å; A1090-V1092 HydrophobicContact CB-CG2 3.91Å; A1090-V1092 PolarHBondContact O-N 2.84Å; V1092-N1117 WeakPolarHBondContact CA-OD1 3.35Å
1093N92Very high91.9Very high2 Ų225.2 Ų25.21%0.01112%0.124CC..EExtended strand (participates in β ladder)trans-85.8107.6167.5-178.21.2000110.6P994 I995 Y1095 D1096 G1097 N1098 N1117 R1152P994-N1093 VanDerWaalsContact CB-OD1 3.27Å; P994-N1093 WeakPolarHBondContact CB-OD1 3.4Å; P994-N1093 VanDerWaalsContact CG-OD1 3.31Å; P994-N1093 WeakPolarHBondContact CG-OD1 3.21Å; P994-N1093 WeakPolarHBondContact O-CA 3.36Å; I995-N1093 HydrophobicContact CG1-CB 4.39Å; N1093-Y1095 PolarHBondContact O-N 2.95Å; N1093-Y1095 VanDerWaalsContact OD1-CB 3.31Å; N1093-Y1095 WeakPolarHBondContact OD1-CB 3.17Å; N1093-Y1095 PolarHBondContact OD1-N 3.42Å; N1093-D1096 PolarHBondContact ND2-OD1 2.91Å; N1093-G1097 VanDerWaalsContact O-CA 3.26Å; N1093-G1097 WeakPolarHBondContact O-CA 3.29Å; N1093-G1097 PolarHBondContact O-N 3.06Å; N1093-N1098 WeakPolarHBondContact CB-O 3.36Å; N1093-N1098 PolarHBondContact ND2-O 3.32Å; N1093-N1117 PolarHBondContact N-OD1 3.44Å; N1093-R1152 PolarHBondContact ND2-NH2 2.53Å
1094E88Confident91.6Very high102 Ų10219.3 Ų19.348%0.47710%0.099SC..THydrogen-bonded Turntrans-71.2-13.8-179.1-67.1-177.1154.500114.1P994 V996 R998P994-E1094 PolarHBondContact O-N 2.61Å; V996-E1094 HydrophobicContact CG1-CG 4.49Å; V996-E1094 HydrophobicContact CG2-CG 3.63Å; V996-E1094 WeakPolarHBondContact CG2-OE1 3.2Å; R998-E1094 IonicContact CZ-OE1 3.51Å; R998-E1094 IonicContact NE-OE1 3.16Å; R998-E1094 PolarHBondContact NE-OE1 2.63Å; R998-E1094 IonicContact NH2-OE1 2.99Å; R998-E1094 PolarHBondContact NH2-OE1 3.2Å
1095Y89.3Confident90.9Very high33 Ų3316 Ų1613%0.1298%0.083CC..THydrogen-bonded Turntrans-73.3-49.3-176.7177.5-105.3000112.8N1093 R1152 M1153 G1156 K1157 R1158N1093-Y1095 PolarHBondContact O-N 2.95Å; N1093-Y1095 VanDerWaalsContact OD1-CB 3.31Å; N1093-Y1095 WeakPolarHBondContact OD1-CB 3.17Å; N1093-Y1095 PolarHBondContact OD1-N 3.42Å; Y1095-R1152 HydrophobicContact CE1-CG 4.32Å; Y1095-M1153 HydrophobicContact CD1-CG 3.55Å; Y1095-M1153 HydrophobicContact CD1-SD 4.49Å; Y1095-M1153 HydrophobicContact CD2-CE 4.02Å; Y1095-M1153 HydrophobicContact CD2-CG 4.04Å; Y1095-M1153 HydrophobicContact CE1-CB 4.33Å; Y1095-M1153 HydrophobicContact CE1-CG 3.68Å; Y1095-M1153 HydrophobicContact CE2-CB 4.28Å; Y1095-M1153 HydrophobicContact CE2-CG 4.16Å; Y1095-M1153 HydrophobicContact CG-CE 4.02Å; Y1095-M1153 HydrophobicContact CG-CG 3.73Å; Y1095-M1153 HydrophobicContact CG-SD 4.29Å; Y1095-G1156 VanDerWaalsContact OH-C 3.3Å; Y1095-K1157 VanDerWaalsContact CE1-O 3.23Å; Y1095-K1157 WeakPolarHBondContact CE1-O 3.31Å; Y1095-K1157 VanDerWaalsContact OH-C 3.29Å; Y1095-K1157 PolarHBondContact OH-N 3.46Å; Y1095-K1157 PolarHBondContact OH-O 3.32Å; Y1095-R1158 HydrophobicContact CE1-CG 3.79Å; Y1095-R1158 HydrophobicContact CE2-CG 4.25Å; Y1095-R1158 PolarHBondContact O-NH1 2.81Å
1096D88Confident89.9Confident11 Ų1117.6 Ų17.66%0.0599%0.087CC..THydrogen-bonded Turntrans-150.910.5-177.664.25.9000114.1N1093 N1098 R1152 R1158 M1159N1093-D1096 PolarHBondContact ND2-OD1 2.91Å; D1096-N1098 PolarHBondContact O-N 2.91Å; D1096-N1098 VanDerWaalsContact O-N 3.17Å; D1096-N1098 PolarHBondContact O-ND2 3.17Å; D1096-N1098 WeakPolarHBondContact OD1-CB 3.28Å; D1096-N1098 PolarHBondContact OD1-N 3.39Å; D1096-N1098 VanDerWaalsContact OD1-N 3.17Å; D1096-R1152 IonicContact OD1-CZ 3.55Å; D1096-R1152 IonicContact OD1-NE 3.49Å; D1096-R1152 IonicContact OD1-NH2 2.84Å; D1096-R1152 PolarHBondContact OD1-NH2 3.1Å; D1096-R1152 IonicContact OD2-CZ 2.67Å; D1096-R1152 IonicContact OD2-NE 3.68Å; D1096-R1152 PolarHBondContact OD2-NE 3.24Å; D1096-R1152 IonicContact OD2-NH2 3.46Å; D1096-R1152 PolarHBondContact OD2-NH2 3.2Å; D1096-R1158 HydrophobicContact CB-CB 4.15Å; D1096-R1158 HydrophobicContact CB-CG 4.33Å; D1096-M1159 PolarHBondContact OD2-N 3.09Å; D1096-M1159 VanDerWaalsContact OD2-N 3.09Å
1097G87.2Confident89.2Confident11 Ų1115.4 Ų15.411%0.1138%0.079CC..SBendtrans67.111.2179.500000116N1093 N1117N1093-G1097 VanDerWaalsContact O-CA 3.26Å; N1093-G1097 WeakPolarHBondContact O-CA 3.29Å; N1093-G1097 PolarHBondContact O-N 3.06Å; G1097-N1117 WeakPolarHBondContact CA-ND2 3.21Å; G1097-N1117 PolarHBondContact O-ND2 3.05Å
1098N91.7Very high88.4Confident0 Ų021.8 Ų21.80%011%0.108CC..  trans-109.8150.8-179.4-73.7-80.8000111.6I807 K810 N1093 D1096 G1115 F1148 R1152 M1159 A1160I807-N1098 WeakPolarHBondContact CD1-OD1 3.33Å; K810-N1098 WeakPolarHBondContact CE-OD1 3.24Å; K810-N1098 PolarHBondContact NZ-OD1 3.42Å; N1093-N1098 WeakPolarHBondContact CB-O 3.36Å; N1093-N1098 PolarHBondContact ND2-O 3.32Å; D1096-N1098 PolarHBondContact O-N 2.91Å; D1096-N1098 VanDerWaalsContact O-N 3.17Å; D1096-N1098 PolarHBondContact O-ND2 3.17Å; D1096-N1098 WeakPolarHBondContact OD1-CB 3.28Å; D1096-N1098 PolarHBondContact OD1-N 3.39Å; D1096-N1098 VanDerWaalsContact OD1-N 3.17Å; N1098-G1115 CarbonylContact C-O 3.59Å; N1098-F1148 HydrophobicContact CB-CE1 4.42Å; N1098-R1152 PolarHBondContact O-NH2 2.82Å; N1098-R1152 VanDerWaalsContact O-NH2 3.07Å; N1098-M1159 HydrophobicContact CB-CB 4.31Å; N1098-M1159 HydrophobicContact CB-SD 4.1Å; N1098-M1159 WeakPolarHBondContact ND2-CB 3.21Å; N1098-A1160 PolarHBondContact ND2-O 3.13Å
1099A93.6Very high88.2Confident4 Ų422.6 Ų22.63%0.03311%0.113CC..  trans-55.8156.1179.700000113.4I1101 G1114 G1115 F1116 F1148 R1152A1099-I1101 HydrophobicContact CB-CD1 4Å; A1099-I1101 HydrophobicContact CB-CG1 3.96Å; A1099-G1114 WeakPolarHBondContact CA-O 3.4Å; A1099-G1115 WeakPolarHBondContact CA-O 3.41Å; A1099-G1115 PolarHBondContact N-O 3.48Å; A1099-F1116 HydrophobicContact CB-CD1 3.66Å; A1099-F1116 HydrophobicContact CB-CE1 3.9Å; A1099-F1116 HydrophobicContact CB-CG 4.26Å; A1099-F1148 HydrophobicContact CB-CD1 4.03Å; A1099-F1148 HydrophobicContact CB-CE1 4.45Å; A1099-F1148 WeakPolarHBondContact O-CD1 3.27Å; A1099-R1152 PolarHBondContact O-NH1 3.19Å; A1099-R1152 PolarHBondContact O-NH2 2.87Å
1100I94.8Very high88.2Confident1 Ų121.8 Ų21.81%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-107.3110.8166.3-66.6163.2000107F993 P994 I995 H1112 V1113 G1114 F1148 L1150F993-I1100 HydrophobicContact CE2-CD1 4.44Å; F993-I1100 HydrophobicContact CZ-CD1 4.14Å; F993-I1100 HydrophobicContact CZ-CG2 4.41Å; P994-I1100 HydrophobicContact CG-CD1 3.43Å; P994-I1100 VanDerWaalsContact CG-CD1 3.43Å; I995-I1100 HydrophobicContact CD1-CB 4.12Å; I995-I1100 HydrophobicContact CD1-CD1 3.81Å; I995-I1100 HydrophobicContact CD1-CG1 4.34Å; I995-I1100 HydrophobicContact CG1-CD1 3.93Å; I1100-H1112 HydrophobicContact CG2-CB 3.84Å; I1100-H1112 CarbonylContact O-C 3.58Å; I1100-V1113 WeakPolarHBondContact O-CA 3.39Å; I1100-G1114 PolarHBondContact N-O 3.17Å; I1100-G1114 PolarHBondContact O-N 2.87Å; I1100-G1114 VanDerWaalsContact O-N 3.16Å; I1100-F1148 CarbonylContact C-O 3.57Å; I1100-F1148 WeakPolarHBondContact CA-O 3.35Å; I1100-L1150 HydrophobicContact CD1-CD1 3.54Å; I1100-L1150 HydrophobicContact CG1-CD1 4.23Å; I1100-L1150 HydrophobicContact CG2-CB 3.96Å; I1100-L1150 HydrophobicContact CG2-CD1 4.11Å
1101I95.4Very high88.4Confident0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-130.5111.5-178.1-52.4164.8000107.7M813 A1099 H1112 F1116 A1127 I1131 L1145 F1148 H1149M813-I1101 HydrophobicContact SD-CD1 4.15Å; A1099-I1101 HydrophobicContact CB-CD1 4Å; A1099-I1101 HydrophobicContact CB-CG1 3.96Å; I1101-H1112 VanDerWaalsContact CA-O 3.3Å; I1101-H1112 WeakPolarHBondContact CA-O 3.33Å; I1101-F1116 HydrophobicContact CD1-CE1 4.19Å; I1101-A1127 HydrophobicContact CD1-CB 3.6Å; I1101-A1127 HydrophobicContact CG1-CB 4Å; I1101-A1127 HydrophobicContact CG2-CB 4.06Å; I1101-I1131 HydrophobicContact CG2-CD1 4.04Å; I1101-I1131 HydrophobicContact CG2-CG1 4.19Å; I1101-L1145 HydrophobicContact CD1-CD1 4.35Å; I1101-L1145 HydrophobicContact CG2-CD1 3.95Å; I1101-F1148 HydrophobicContact CB-CB 3.9Å; I1101-F1148 HydrophobicContact CD1-CB 4.24Å; I1101-F1148 HydrophobicContact CD1-CD1 4.13Å; I1101-F1148 HydrophobicContact CD1-CG 4.17Å; I1101-F1148 HydrophobicContact CG1-CB 4.22Å; I1101-F1148 PolarHBondContact N-O 2.83Å; I1101-F1148 CarbonylContact O-C 3.33Å; I1101-H1149 PolarHBondContact O-CD2 2.97Å
1102G92.7Very high88.6Confident1 Ų122.2 Ų22.21%0.0111%0.111CC..EExtended strand (participates in β ladder)trans143.5-172175.600000114.7F1111 H1112G1102-F1111 CarbonylContact O-C 3.57Å; G1102-F1111 VanDerWaalsContact O-CA 3.31Å; G1102-F1111 WeakPolarHBondContact O-CA 3.48Å; G1102-H1112 PolarHBondContact N-O 2.95Å; G1102-H1112 PolarHBondContact O-N 2.85Å
1103P89.6Confident88.8Confident15 Ų1521.3 Ų21.310%0.09711%0.106CC..EExtended strand (participates in β ladder)trans-69.9149.6179.730.2-33.4000111.2F1111 H1149P1103-F1111 HydrophobicContact CB-CD1 3.92Å; P1103-F1111 HydrophobicContact CB-CE1 3.68Å; P1103-F1111 HydrophobicContact CB-CZ 4.25Å; P1103-F1111 HydrophobicContact CG-CE1 4.38Å; P1103-H1149 VanDerWaalsContact CD-CE1 3.44Å; P1103-H1149 WeakPolarHBondContact CD-CE1 3.38Å
1104H87.4Confident89Confident11 Ų1121.3 Ų21.35%0.05111%0.106CC..  trans-70.1138.7166.7-174.7-84.5000110F982 F1106 Y1107 Y1110 H1112F982-H1104 AromaticContact CD1-CD2 3.69Å; F982-H1104 AromaticContact CD1-CE1 3.39Å; F982-H1104 WeakPolarHBondContact CD1-CE1 3.21Å; F982-H1104 AromaticContact CD1-NE2 3.07Å; F982-H1104 WeakPolarHBondContact CD1-NE2 3.34Å; F982-H1104 AromaticContact CE1-CD2 3.38Å; F982-H1104 WeakPolarHBondContact CE1-CD2 3.31Å; F982-H1104 AromaticContact CE1-CE1 2.98Å; F982-H1104 WeakPolarHBondContact CE1-CE1 3.44Å; F982-H1104 AromaticContact CE1-CG 3.57Å; F982-H1104 AromaticContact CE1-ND1 3.34Å; F982-H1104 VanDerWaalsContact CE1-ND1 3.34Å; F982-H1104 WeakPolarHBondContact CE1-ND1 3.48Å; F982-H1104 AromaticContact CE1-NE2 3.04Å; F982-H1104 WeakPolarHBondContact CE1-NE2 3.41Å; F982-H1104 AromaticContact CG-NE2 3.92Å; F982-H1104 AromaticContact CZ-CD2 3.73Å; F982-H1104 AromaticContact CZ-CE1 3.94Å; F982-H1104 AromaticContact CZ-CG 3.76Å; F982-H1104 AromaticContact CZ-ND1 3.89Å; F982-H1104 AromaticContact CZ-NE2 3.9Å; H1104-F1106 AromaticContact CE1-CD2 3.54Å; H1104-F1106 PolarHBondContact ND1-N 3.01Å; H1104-F1106 PolarHBondContact O-N 3.35Å; H1104-F1106 VanDerWaalsContact O-N 3.14Å; H1104-Y1107 PolarHBondContact ND1-N 3.34Å; H1104-Y1110 HydrophobicContact CB-CD1 3.95Å; H1104-Y1110 WeakPolarHBondContact CB-O 3.25Å; H1104-Y1110 PolarHBondContact N-O 3.48Å; H1104-H1112 AromaticContact CD2-NE2 3.89Å
1105P78.7Confident89.2Confident21 Ų2116.4 Ų16.414%0.1368%0.083CC..SBendtrans-60.8-26.1-174.519.7-32.8000114.7F680 L1150 D1151 L1154F680-P1105 HydrophobicContact CE1-CB 4.12Å; P1105-L1150 HydrophobicContact CG-CD2 4.34Å; P1105-D1151 HydrophobicContact CB-CB 4.33Å; P1105-L1154 HydrophobicContact CB-CD1 3.69Å; P1105-L1154 HydrophobicContact CG-CD1 3.66Å
1106F75Confident89.3Confident43 Ų4315.1 Ų15.119%0.1898%0.078CC..SBendtrans-103.8-65.3-178.1-61.2-71000113.5V678 F680 W938 L988 H1104 Q1108 L1154V678-F1106 HydrophobicContact CG1-CE1 3.47Å; V678-F1106 VanDerWaalsContact CG1-CE1 3.47Å; V678-F1106 HydrophobicContact CG1-CZ 3.8Å; F680-F1106 HydrophobicContact CD1-CE1 4.38Å; F680-F1106 HydrophobicContact CE1-CD1 4.45Å; F680-F1106 AromaticContact CE1-CE1 3.58Å; F680-F1106 HydrophobicContact CE1-CE1 3.58Å; F680-F1106 HydrophobicContact CE1-CE2 4.3Å; F680-F1106 AromaticContact CE1-CZ 3.47Å; F680-F1106 HydrophobicContact CE1-CZ 3.47Å; F680-F1106 VanDerWaalsContact CE1-CZ 3.47Å; F680-F1106 HydrophobicContact CE2-CZ 4.47Å; F680-F1106 AromaticContact CZ-CE1 3.81Å; F680-F1106 HydrophobicContact CZ-CE1 3.81Å; F680-F1106 HydrophobicContact CZ-CE2 4.31Å; F680-F1106 AromaticContact CZ-CZ 3.37Å; F680-F1106 HydrophobicContact CZ-CZ 3.37Å; W938-F1106 HydrophobicContact CH2-CD1 4.44Å; W938-F1106 HydrophobicContact CH2-CE1 4.38Å; W938-F1106 HydrophobicContact CZ3-CD1 4.17Å; W938-F1106 HydrophobicContact CZ3-CG 4.25Å; L988-F1106 HydrophobicContact CB-CD2 4.46Å; L988-F1106 HydrophobicContact CB-CE2 3.47Å; L988-F1106 VanDerWaalsContact CB-CE2 3.47Å; L988-F1106 HydrophobicContact CB-CZ 3.52Å; L988-F1106 HydrophobicContact CD1-CE1 3.92Å; L988-F1106 HydrophobicContact CD1-CE2 4.12Å; L988-F1106 HydrophobicContact CD1-CZ 3.27Å; L988-F1106 HydrophobicContact CG-CE2 4.36Å; L988-F1106 HydrophobicContact CG-CZ 3.96Å; H1104-F1106 AromaticContact CE1-CD2 3.54Å; H1104-F1106 PolarHBondContact ND1-N 3.01Å; H1104-F1106 PolarHBondContact O-N 3.35Å; H1104-F1106 VanDerWaalsContact O-N 3.14Å; F1106-Q1108 PolarHBondContact O-N 3.37Å; F1106-Q1108 VanDerWaalsContact O-N 3.16Å; F1106-L1154 HydrophobicContact CE2-CD1 4.38Å
1107Y80Confident89.3Confident11 Ų1116.7 Ų16.74%0.0439%0.086CC..  trans-78.5104.2175.5-49.6-71.3000111.4W921 K941 L943 F982 L989 H1104 N1109 Y1110W921-Y1107 AromaticContact NE1-CZ 3.93Å; W921-Y1107 PolarHBondContact NE1-OH 3.28Å; K941-Y1107 HydrophobicContact CB-CE1 4.01Å; K941-Y1107 WeakPolarHBondContact O-CD1 3.5Å; K941-Y1107 WeakPolarHBondContact O-CE1 3.42Å; L943-Y1107 HydrophobicContact CG-CG 4.49Å; F982-Y1107 HydrophobicContact CD1-CD2 4.27Å; F982-Y1107 AromaticContact CD1-CE2 3.96Å; F982-Y1107 HydrophobicContact CD1-CE2 3.96Å; F982-Y1107 AromaticContact CE1-CD2 3.03Å; F982-Y1107 HydrophobicContact CE1-CD2 3.03Å; F982-Y1107 AromaticContact CE1-CE2 3.05Å; F982-Y1107 HydrophobicContact CE1-CE2 3.05Å; F982-Y1107 HydrophobicContact CE1-CG 4.34Å; F982-Y1107 HydrophobicContact CE2-CD2 4.25Å; F982-Y1107 HydrophobicContact CE2-CE2 4.32Å; F982-Y1107 AromaticContact CZ-CD2 3.04Å; F982-Y1107 HydrophobicContact CZ-CD2 3.04Å; F982-Y1107 AromaticContact CZ-CE2 3.32Å; F982-Y1107 HydrophobicContact CZ-CE2 3.32Å; F982-Y1107 HydrophobicContact CZ-CG 4.22Å; L989-Y1107 WeakPolarHBondContact CD1-OH 3.33Å; L989-Y1107 HydrophobicContact CD2-CE2 3.88Å; H1104-Y1107 PolarHBondContact ND1-N 3.34Å; Y1107-N1109 PolarHBondContact O-N 3.27Å; Y1107-N1109 VanDerWaalsContact O-N 3.09Å; Y1107-Y1110 PolarHBondContact O-N 2.93Å
1108Q74.9Confident89Confident140 Ų14017.1 Ų17.165%0.6549%0.091SC*.THydrogen-bonded Turntrans-61.9-19-176.8-63.5-174.6-21.400114.3F1106F1106-Q1108 PolarHBondContact O-N 3.37Å; F1106-Q1108 VanDerWaalsContact O-N 3.16Å
1109N88.7Confident88.7Confident25 Ų2518.5 Ų18.513%0.13410%0.098CC..THydrogen-bonded Turntrans-101.210.3178.771.9-40.9000113.8L943 T963 I964 F965 Y1107L943-N1109 PolarHBondContact O-ND2 3.08Å; T963-N1109 VanDerWaalsContact O-CB 3.25Å; T963-N1109 WeakPolarHBondContact O-CB 3.36Å; T963-N1109 PolarHBondContact O-ND2 3.02Å; I964-N1109 WeakPolarHBondContact CA-O 3.38Å; F965-N1109 PolarHBondContact N-O 2.95Å; Y1107-N1109 PolarHBondContact O-N 3.27Å; Y1107-N1109 VanDerWaalsContact O-N 3.09Å
1110Y91.6Very high88.3Confident0 Ų018.7 Ų18.70%010%0.099CC..EExtended strand (participates in β ladder)trans-112.6127.1174.7-164.4-108.2000109.5F919 L943 F965 N967 A980 F982 H1104 Y1107 H1112F919-Y1110 HydrophobicContact CE1-CE2 4.1Å; F919-Y1110 AromaticContact CZ-CE2 3.95Å; F919-Y1110 HydrophobicContact CZ-CE2 3.95Å; L943-Y1110 HydrophobicContact CD1-CD2 3.23Å; L943-Y1110 HydrophobicContact CD1-CE2 3.89Å; L943-Y1110 HydrophobicContact CD1-CG 3.73Å; F965-Y1110 HydrophobicContact CB-CD2 3.55Å; F965-Y1110 HydrophobicContact CB-CE2 4.08Å; F965-Y1110 HydrophobicContact CG-CD2 4.42Å; F965-Y1110 CarbonylContact O-C 3.53Å; F965-Y1110 WeakPolarHBondContact O-CA 3.47Å; N967-Y1110 HydrophobicContact CB-CE1 4.25Å; N967-Y1110 HydrophobicContact CB-CE2 4.36Å; N967-Y1110 WeakPolarHBondContact CB-OH 3.24Å; N967-Y1110 PolarHBondContact ND2-OH 2.98Å; N967-Y1110 VanDerWaalsContact ND2-OH 3.1Å; A980-Y1110 HydrophobicContact CB-CE2 4.18Å; F982-Y1110 HydrophobicContact CD2-CD1 4.37Å; F982-Y1110 AromaticContact CD2-CE1 3.84Å; F982-Y1110 HydrophobicContact CD2-CE1 3.84Å; F982-Y1110 AromaticContact CE2-CD1 3.35Å; F982-Y1110 HydrophobicContact CE2-CD1 3.35Å; F982-Y1110 HydrophobicContact CE2-CD2 4.43Å; F982-Y1110 AromaticContact CE2-CE1 3.14Å; F982-Y1110 HydrophobicContact CE2-CE1 3.14Å; F982-Y1110 HydrophobicContact CE2-CE2 4.34Å; F982-Y1110 HydrophobicContact CE2-CG 4.01Å; F982-Y1110 AromaticContact CE2-CZ 3.72Å; F982-Y1110 AromaticContact CZ-CD1 3.53Å; F982-Y1110 HydrophobicContact CZ-CD1 3.53Å; F982-Y1110 AromaticContact CZ-CE1 3.83Å; F982-Y1110 HydrophobicContact CZ-CE1 3.83Å; F982-Y1110 HydrophobicContact CZ-CG 4.04Å; H1104-Y1110 HydrophobicContact CB-CD1 3.95Å; H1104-Y1110 WeakPolarHBondContact CB-O 3.25Å; H1104-Y1110 PolarHBondContact N-O 3.48Å; Y1107-Y1110 PolarHBondContact O-N 2.93Å; Y1110-H1112 AromaticContact CD1-CE1 3.91Å; Y1110-H1112 AromaticContact CD1-NE2 3.42Å; Y1110-H1112 WeakPolarHBondContact CD1-NE2 3.15Å; Y1110-H1112 AromaticContact CE1-CE1 3.13Å; Y1110-H1112 WeakPolarHBondContact CE1-CE1 3.34Å; Y1110-H1112 AromaticContact CE1-ND1 4Å; Y1110-H1112 AromaticContact CE1-NE2 3.11Å; Y1110-H1112 WeakPolarHBondContact CE1-NE2 2.87Å; Y1110-H1112 AromaticContact CZ-CE1 3.96Å
1111F95.1Very high87.8Confident14 Ų1418.8 Ų18.86%0.06110%0.1CC..EExtended strand (participates in β ladder)trans-124.6155.1-179-66.1-101.6000109.8I964 F965 I966 N967 G1102 P1103 I1131 K1134 I1135I964-F1111 HydrophobicContact CG2-CD2 3.76Å; I964-F1111 HydrophobicContact CG2-CE2 3.88Å; F965-F1111 PolarHBondContact O-N 2.77Å; I966-F1111 CarbonylContact C-O 3.48Å; I966-F1111 WeakPolarHBondContact CA-O 3.44Å; I966-F1111 HydrophobicContact CG1-CB 4.39Å; I966-F1111 HydrophobicContact CG2-CB 4.21Å; N967-F1111 PolarHBondContact N-O 2.67Å; G1102-F1111 CarbonylContact O-C 3.57Å; G1102-F1111 VanDerWaalsContact O-CA 3.31Å; G1102-F1111 WeakPolarHBondContact O-CA 3.48Å; P1103-F1111 HydrophobicContact CB-CD1 3.92Å; P1103-F1111 HydrophobicContact CB-CE1 3.68Å; P1103-F1111 HydrophobicContact CB-CZ 4.25Å; P1103-F1111 HydrophobicContact CG-CE1 4.38Å; F1111-I1131 HydrophobicContact CB-CD1 4.37Å; F1111-I1131 HydrophobicContact CD1-CD1 4.11Å; F1111-K1134 HydrophobicContact CE1-CG 3.97Å; F1111-I1135 HydrophobicContact CD1-CG1 4.41Å; F1111-I1135 HydrophobicContact CD2-CD1 4.4Å; F1111-I1135 HydrophobicContact CD2-CG1 4.36Å; F1111-I1135 HydrophobicContact CE1-CG1 4.02Å; F1111-I1135 HydrophobicContact CE2-CD1 4.45Å; F1111-I1135 HydrophobicContact CE2-CG1 3.97Å; F1111-I1135 HydrophobicContact CZ-CG1 3.79Å
1112H95.5Very high87.6Confident2 Ų218.8 Ų18.81%0.00910%0.1CC..EExtended strand (participates in β ladder)trans-123.3143.3176.6-69.7-83.2000111.4S977 F993 I1100 I1101 G1102 H1104 Y1110S977-H1112 PolarHBondContact OG-CE1 3.3Å; S977-H1112 VanDerWaalsContact OG-CE1 3.28Å; F993-H1112 AromaticContact CE1-ND1 3.99Å; F993-H1112 AromaticContact CE2-CD2 3.83Å; F993-H1112 AromaticContact CE2-CE1 3.27Å; F993-H1112 WeakPolarHBondContact CE2-CE1 3.06Å; F993-H1112 AromaticContact CE2-CG 3.95Å; F993-H1112 AromaticContact CE2-ND1 3.66Å; F993-H1112 AromaticContact CE2-NE2 3.39Å; F993-H1112 WeakPolarHBondContact CE2-NE2 3.2Å; F993-H1112 HydrophobicContact CZ-CB 4.33Å; F993-H1112 AromaticContact CZ-CE1 3.29Å; F993-H1112 WeakPolarHBondContact CZ-CE1 3.16Å; F993-H1112 AromaticContact CZ-CG 3.65Å; F993-H1112 AromaticContact CZ-ND1 3.2Å; F993-H1112 WeakPolarHBondContact CZ-ND1 3.1Å; F993-H1112 AromaticContact CZ-NE2 3.82Å; I1100-H1112 HydrophobicContact CG2-CB 3.84Å; I1100-H1112 CarbonylContact O-C 3.58Å; I1101-H1112 VanDerWaalsContact CA-O 3.3Å; I1101-H1112 WeakPolarHBondContact CA-O 3.33Å; G1102-H1112 PolarHBondContact N-O 2.95Å; G1102-H1112 PolarHBondContact O-N 2.85Å; H1104-H1112 AromaticContact CD2-NE2 3.89Å; Y1110-H1112 AromaticContact CD1-CE1 3.91Å; Y1110-H1112 AromaticContact CD1-NE2 3.42Å; Y1110-H1112 WeakPolarHBondContact CD1-NE2 3.15Å; Y1110-H1112 AromaticContact CE1-CE1 3.13Å; Y1110-H1112 WeakPolarHBondContact CE1-CE1 3.34Å; Y1110-H1112 AromaticContact CE1-ND1 4Å; Y1110-H1112 AromaticContact CE1-NE2 3.11Å; Y1110-H1112 WeakPolarHBondContact CE1-NE2 2.87Å; Y1110-H1112 AromaticContact CZ-CE1 3.96Å
1113V96.5Very high87.6Confident1 Ų118.9 Ų18.91%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-142.294167.2-173.90000108.6A761 I966 N967 I1100 F1116 A1127 I1131A761-V1113 HydrophobicContact CB-CG1 4.02Å; I966-V1113 HydrophobicContact CG2-CG2 4.22Å; N967-V1113 PolarHBondContact O-N 2.73Å; I1100-V1113 WeakPolarHBondContact O-CA 3.39Å; V1113-F1116 HydrophobicContact CG1-CE2 3.9Å; V1113-F1116 HydrophobicContact CG1-CZ 3.61Å; V1113-A1127 HydrophobicContact CG1-CB 3.7Å; V1113-I1131 HydrophobicContact CG2-CB 4.4Å; V1113-I1131 HydrophobicContact CG2-CD1 3.98Å; V1113-I1131 HydrophobicContact CG2-CG1 3.27Å
1114G94.3Very high87.8Confident1 Ų118.2 Ų18.21%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-176.6-171.3-179.400000112.1A1099 I1100A1099-G1114 WeakPolarHBondContact CA-O 3.4Å; I1100-G1114 PolarHBondContact N-O 3.17Å; I1100-G1114 PolarHBondContact O-N 2.87Å; I1100-G1114 VanDerWaalsContact O-N 3.16Å
1115G92.4Very high88.2Confident0 Ų017.7 Ų17.70%09%0.093CC..  trans75.230-176.900000111.9I995 D1091 N1098 A1099 N1117I995-G1115 VanDerWaalsContact CD1-N 3.34Å; D1091-G1115 CarbonylContact O-C 3.55Å; D1091-G1115 VanDerWaalsContact O-C 3.24Å; D1091-G1115 VanDerWaalsContact O-CA 3.22Å; D1091-G1115 WeakPolarHBondContact O-CA 3.15Å; D1091-G1115 WeakPolarHBondContact OD2-CA 3.19Å; D1091-G1115 PolarHBondContact OD2-N 2.67Å; N1098-G1115 CarbonylContact C-O 3.59Å; A1099-G1115 WeakPolarHBondContact CA-O 3.41Å; A1099-G1115 PolarHBondContact N-O 3.48Å; G1115-N1117 PolarHBondContact O-N 2.89Å; G1115-N1117 PolarHBondContact O-OD1 2.77Å
1116F91.6Very high88.9Confident6 Ų616.7 Ų16.73%0.0269%0.087CC..  trans-72.9-4.2-174-68.1-78.8000113.3A761 D1091 A1099 I1101 V1113 G1118 L1119 S1120 H1123 A1127A761-F1116 HydrophobicContact CB-CE2 4.16Å; D1091-F1116 PolarHBondContact O-N 3.29Å; D1091-F1116 PolarHBondContact OD2-N 3.41Å; A1099-F1116 HydrophobicContact CB-CD1 3.66Å; A1099-F1116 HydrophobicContact CB-CE1 3.9Å; A1099-F1116 HydrophobicContact CB-CG 4.26Å; I1101-F1116 HydrophobicContact CD1-CE1 4.19Å; V1113-F1116 HydrophobicContact CG1-CE2 3.9Å; V1113-F1116 HydrophobicContact CG1-CZ 3.61Å; F1116-G1118 PolarHBondContact O-N 2.86Å; F1116-L1119 HydrophobicContact CB-CB 4.5Å; F1116-L1119 VanDerWaalsContact O-CB 3.25Å; F1116-L1119 WeakPolarHBondContact O-CB 3.18Å; F1116-L1119 PolarHBondContact O-N 3.2Å; F1116-S1120 VanDerWaalsContact CB-N 3.31Å; F1116-H1123 HydrophobicContact CD1-CB 3.65Å; F1116-H1123 HydrophobicContact CE1-CB 3.61Å; F1116-A1127 HydrophobicContact CE1-CB 4.05Å; F1116-A1127 HydrophobicContact CZ-CB 3.78Å
1117N87.9Confident90Very high43 Ų4314.7 Ų14.723%0.238%0.078CC..THydrogen-bonded Turntrans53.641.3-178.3-72.624.3000112.2D1091 V1092 N1093 G1097 G1115 L1119D1091-N1117 PolarHBondContact O-N 2.89Å; D1091-N1117 PolarHBondContact O-OD1 3.46Å; V1092-N1117 WeakPolarHBondContact CA-OD1 3.35Å; N1093-N1117 PolarHBondContact N-OD1 3.44Å; G1097-N1117 WeakPolarHBondContact CA-ND2 3.21Å; G1097-N1117 PolarHBondContact O-ND2 3.05Å; G1115-N1117 PolarHBondContact O-N 2.89Å; G1115-N1117 PolarHBondContact O-OD1 2.77Å; N1117-L1119 VanDerWaalsContact C-N 3.3Å; N1117-L1119 PolarHBondContact O-N 3.05Å
1118G80.7Confident90.7Very high21 Ų2114.1 Ų14.122%0.2168%0.076CC..THydrogen-bonded Turntrans84.1-7.2-176.700000115.2F1116 S1120F1116-G1118 PolarHBondContact O-N 2.86Å; G1118-S1120 VanDerWaalsContact C-N 3.26Å; G1118-S1120 PolarHBondContact O-N 2.78Å
1119L86.6Confident91.6Very high29 Ų298.1 Ų8.115%0.1525%0.047CC..  trans-87.413.9177.1-54.9177.6000113.6W802 F805 F1116 N1117 L1121 Q1122 H1123W802-L1119 HydrophobicContact CE3-CD2 4.18Å; W802-L1119 HydrophobicContact CZ3-CD2 3.54Å; F805-L1119 HydrophobicContact CE1-CD1 4.01Å; F805-L1119 HydrophobicContact CZ-CD1 4.48Å; F1116-L1119 HydrophobicContact CB-CB 4.5Å; F1116-L1119 VanDerWaalsContact O-CB 3.25Å; F1116-L1119 WeakPolarHBondContact O-CB 3.18Å; F1116-L1119 PolarHBondContact O-N 3.2Å; N1117-L1119 VanDerWaalsContact C-N 3.3Å; N1117-L1119 PolarHBondContact O-N 3.05Å; L1119-L1121 PolarHBondContact O-N 2.92Å; L1119-Q1122 HydrophobicContact CB-CG 4.26Å; L1119-Q1122 WeakPolarHBondContact O-CG 3.48Å; L1119-Q1122 PolarHBondContact O-N 3.46Å; L1119-H1123 PolarHBondContact O-N 3.42Å; L1119-H1123 VanDerWaalsContact O-N 3.1Å
1120S85.2Confident91.8Very high7 Ų77 Ų75%0.0494%0.041CC..Hα-helixtrans-59.6-35.1-17460.20000111.6F1116 G1118 Q1122 H1123 A1124F1116-S1120 VanDerWaalsContact CB-N 3.31Å; G1118-S1120 VanDerWaalsContact C-N 3.26Å; G1118-S1120 PolarHBondContact O-N 2.78Å; S1120-Q1122 VanDerWaalsContact C-N 3.35Å; S1120-Q1122 PolarHBondContact O-N 3.1Å; S1120-H1123 PolarHBondContact O-N 2.92Å; S1120-A1124 WeakPolarHBondContact O-CA 3.37Å; S1120-A1124 WeakPolarHBondContact O-CB 3.23Å; S1120-A1124 PolarHBondContact O-N 2.9Å
1121L84.6Confident92Very high3 Ų37 Ų72%0.0164%0.041CC..Hα-helixtrans-64.6-37.2-175-65.8164.8000113.3L760 T794 F891 N893 L1119L760-L1121 HydrophobicContact CD2-CD2 3.98Å; T794-L1121 HydrophobicContact CG2-CD2 3.9Å; F891-L1121 HydrophobicContact CE2-CB 4.38Å; F891-L1121 HydrophobicContact CZ-CB 3.93Å; N893-L1121 HydrophobicContact CB-CD2 3.85Å; N893-L1121 VanDerWaalsContact CG-CD1 3.47Å; N893-L1121 WeakPolarHBondContact ND2-CD1 3.44Å; N893-L1121 WeakPolarHBondContact OD1-CD1 3.2Å; L1119-L1121 PolarHBondContact O-N 2.92Å
1122Q89.5Confident91.9Very high1 Ų16.5 Ų6.51%0.0054%0.039CC..Hα-helixtrans-92.3-21177.653.2165.44200114.1L801 T817 L1119 S1120L801-Q1122 HydrophobicContact CD1-CB 3.48Å; L801-Q1122 VanDerWaalsContact CD1-CB 3.48Å; T817-Q1122 WeakPolarHBondContact CB-O 3.32Å; T817-Q1122 PolarHBondContact OG1-O 2.78Å; L1119-Q1122 HydrophobicContact CB-CG 4.26Å; L1119-Q1122 WeakPolarHBondContact O-CG 3.48Å; L1119-Q1122 PolarHBondContact O-N 3.46Å; S1120-Q1122 VanDerWaalsContact C-N 3.35Å; S1120-Q1122 PolarHBondContact O-N 3.1Å
1123H93.9Very high91.6Very high3 Ų36.5 Ų6.51%0.0144%0.039CC..Hα-helixtrans-109.2-13.1-175.5-64.9163.9000114.4F805 M813 F1116 L1119 S1120 P1126 A1127F805-H1123 AromaticContact CE2-NE2 3.87Å; M813-H1123 HydrophobicContact CE-CB 4.4Å; M813-H1123 HydrophobicContact SD-CB 4.15Å; F1116-H1123 HydrophobicContact CD1-CB 3.65Å; F1116-H1123 HydrophobicContact CE1-CB 3.61Å; L1119-H1123 PolarHBondContact O-N 3.42Å; L1119-H1123 VanDerWaalsContact O-N 3.1Å; S1120-H1123 PolarHBondContact O-N 2.92Å; H1123-P1126 WeakPolarHBondContact O-CD 3.49Å; H1123-P1126 VanDerWaalsContact O-CG 3.31Å; H1123-P1126 WeakPolarHBondContact O-CG 3.18Å; H1123-A1127 WeakPolarHBondContact O-CB 3.5Å; H1123-A1127 PolarHBondContact O-N 3.19Å
1124A94.4Very high91.2Very high0 Ų07.5 Ų7.50%04%0.043CC..Hα-helixtrans-64.4-42.6-179.400000113.2L760 A761 S1120 A1127 G1128L760-A1124 HydrophobicContact CB-CB 4.24Å; L760-A1124 HydrophobicContact CD2-CB 4.02Å; L760-A1124 HydrophobicContact CG-CB 3.89Å; A761-A1124 HydrophobicContact CB-CB 4.14Å; S1120-A1124 WeakPolarHBondContact O-CA 3.37Å; S1120-A1124 WeakPolarHBondContact O-CB 3.23Å; S1120-A1124 PolarHBondContact O-N 2.9Å; A1124-A1127 PolarHBondContact O-N 2.95Å; A1124-G1128 PolarHBondContact O-N 2.79Å
1125L94.3Very high90.8Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-59.1-53.6179.3-79.1170.6000112.9A764 W768 T817 F820 L896 I900 G1128 R1129A764-L1125 HydrophobicContact CB-CD2 4.03Å; W768-L1125 PolarHBondContact NE1-O 3.47Å; T817-L1125 HydrophobicContact CG2-CD1 4.09Å; F820-L1125 HydrophobicContact CB-CD1 4.43Å; F820-L1125 HydrophobicContact CD1-CD1 3.48Å; F820-L1125 VanDerWaalsContact CD1-CD1 3.48Å; F820-L1125 HydrophobicContact CD1-CD2 4.33Å; F820-L1125 HydrophobicContact CE1-CD1 3.9Å; F820-L1125 HydrophobicContact CE1-CD2 4.05Å; F820-L1125 HydrophobicContact CG-CD1 4.01Å; F820-L1125 HydrophobicContact CZ-CD2 4.17Å; L896-L1125 HydrophobicContact CD2-CD1 4.41Å; I900-L1125 HydrophobicContact CD1-CD2 3.86Å; L1125-G1128 PolarHBondContact O-N 2.77Å; L1125-R1129 PolarHBondContact O-N 3.27Å; L1125-R1129 VanDerWaalsContact O-N 3.08Å
1126P94.9Very high90.4Very high1 Ų111.6 Ų11.61%0.0066%0.064CC..Hα-helixtrans-70.1-31.5176.325.9-35.2000112.7M813 F816 T817 H1123 R1129 G1130 I1143M813-P1126 HydrophobicContact CB-CB 4.11Å; M813-P1126 HydrophobicContact CB-CG 3.53Å; M813-P1126 HydrophobicContact CG-CB 3.86Å; M813-P1126 HydrophobicContact CG-CG 3.69Å; M813-P1126 WeakPolarHBondContact O-CG 3.4Å; M813-P1126 HydrophobicContact SD-CG 4.27Å; F816-P1126 HydrophobicContact CB-CB 4.06Å; F816-P1126 HydrophobicContact CD1-CB 3.69Å; F816-P1126 HydrophobicContact CD1-CG 4.28Å; F816-P1126 HydrophobicContact CD2-CB 4.48Å; F816-P1126 HydrophobicContact CE1-CB 4.26Å; F816-P1126 HydrophobicContact CG-CB 3.84Å; T817-P1126 VanDerWaalsContact OG1-CD 3.26Å; T817-P1126 WeakPolarHBondContact OG1-CD 3.5Å; H1123-P1126 WeakPolarHBondContact O-CD 3.49Å; H1123-P1126 VanDerWaalsContact O-CG 3.31Å; H1123-P1126 WeakPolarHBondContact O-CG 3.18Å; P1126-R1129 WeakPolarHBondContact O-CB 3.42Å; P1126-R1129 PolarHBondContact O-N 3.33Å; P1126-G1130 PolarHBondContact O-N 3.13Å; P1126-I1143 HydrophobicContact CB-CD1 3.9Å
1127A96.7Very high89.8Confident0 Ų014.2 Ų14.20%08%0.078CC..Hα-helixtrans-63.5-45.6174.800000111.5I1101 V1113 F1116 H1123 A1124 R1129 G1130 I1131I1101-A1127 HydrophobicContact CD1-CB 3.6Å; I1101-A1127 HydrophobicContact CG1-CB 4Å; I1101-A1127 HydrophobicContact CG2-CB 4.06Å; V1113-A1127 HydrophobicContact CG1-CB 3.7Å; F1116-A1127 HydrophobicContact CE1-CB 4.05Å; F1116-A1127 HydrophobicContact CZ-CB 3.78Å; H1123-A1127 WeakPolarHBondContact O-CB 3.5Å; H1123-A1127 PolarHBondContact O-N 3.19Å; A1124-A1127 PolarHBondContact O-N 2.95Å; A1127-R1129 VanDerWaalsContact C-N 3.26Å; A1127-R1129 PolarHBondContact O-N 2.78Å; A1127-G1130 PolarHBondContact O-N 2.88Å; A1127-G1130 VanDerWaalsContact O-N 3.16Å; A1127-I1131 PolarHBondContact O-N 3.34Å
1128G96Very high89.3Confident0 Ų013.9 Ų13.90%09%0.086CC..Hα-helixtrans-62.7-35174.600000112.6C765 A1124 L1125 I1131 M1132C765-G1128 VanDerWaalsContact SG-CA 3.5Å; A1124-G1128 PolarHBondContact O-N 2.79Å; L1125-G1128 PolarHBondContact O-N 2.77Å; G1128-I1131 PolarHBondContact O-N 3.37Å; G1128-M1132 PolarHBondContact O-N 3.45Å; G1128-M1132 VanDerWaalsContact O-N 3.13Å
1129R93.8Very high89.4Confident14 Ų1413 Ų135%0.0538%0.076CC..Hα-helixtrans-61.7-49.9170.9173.952.3177.2-94.50.9111.4D712 W768 F816 L1125 P1126 A1127 I1131 M1132 E1133D712-R1129 VanDerWaalsContact CG-NH1 3.3Å; D712-R1129 IonicContact OD1-NH1 3.6Å; D712-R1129 IonicContact OD1-NH2 3.21Å; D712-R1129 IonicContact OD2-CZ 2.96Å; D712-R1129 IonicContact OD2-NH1 3.51Å; D712-R1129 PolarHBondContact OD2-NH1 3.37Å; D712-R1129 IonicContact OD2-NH2 2.67Å; D712-R1129 PolarHBondContact OD2-NH2 3.2Å; W768-R1129 HydrophobicContact CD2-CB 4.09Å; W768-R1129 HydrophobicContact CG-CB 4Å; F816-R1129 HydrophobicContact CE1-CB 4.49Å; F816-R1129 HydrophobicContact CE2-CB 4.45Å; F816-R1129 HydrophobicContact CE2-CG 4.01Å; F816-R1129 HydrophobicContact CZ-CB 3.92Å; F816-R1129 HydrophobicContact CZ-CG 3.85Å; L1125-R1129 PolarHBondContact O-N 3.27Å; L1125-R1129 VanDerWaalsContact O-N 3.08Å; P1126-R1129 WeakPolarHBondContact O-CB 3.42Å; P1126-R1129 PolarHBondContact O-N 3.33Å; A1127-R1129 VanDerWaalsContact C-N 3.26Å; A1127-R1129 PolarHBondContact O-N 2.78Å; R1129-I1131 VanDerWaalsContact C-N 3.31Å; R1129-I1131 PolarHBondContact O-N 3.18Å; R1129-M1132 VanDerWaalsContact CD-CE 3.46Å; R1129-M1132 WeakPolarHBondContact O-CB 3.42Å; R1129-M1132 PolarHBondContact O-N 2.95Å; R1129-M1132 VanDerWaalsContact O-N 3.15Å; R1129-E1133 IonicContact CZ-OE1 2.79Å; R1129-E1133 IonicContact NE-OE1 3.97Å; R1129-E1133 PolarHBondContact NE-OE1 2.74Å; R1129-E1133 IonicContact NH2-OE1 3.79Å; R1129-E1133 PolarHBondContact NH2-OE1 2.8Å; R1129-E1133 WeakPolarHBondContact O-CG 3.49Å; R1129-E1133 PolarHBondContact O-N 2.96Å
1130G93Very high89.4Confident0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-59.4-40.6178.700000112.6P1126 A1127 M1132 E1133 K1134 Y1140P1126-G1130 PolarHBondContact O-N 3.13Å; A1127-G1130 PolarHBondContact O-N 2.88Å; A1127-G1130 VanDerWaalsContact O-N 3.16Å; G1130-M1132 PolarHBondContact O-N 3.44Å; G1130-E1133 PolarHBondContact O-N 3.21Å; G1130-K1134 WeakPolarHBondContact O-CB 3.18Å; G1130-K1134 PolarHBondContact O-N 2.91Å; G1130-Y1140 WeakPolarHBondContact O-CD1 3.33Å; G1130-Y1140 WeakPolarHBondContact O-CE1 3.42Å
1131I94.5Very high89.2Confident0 Ų013.1 Ų13.10%08%0.078CC..Hα-helixtrans-62.2-42.8175-71.4-54.4000112.2I966 I1101 F1111 V1113 A1127 G1128 R1129 E1133 K1134 I1135I966-I1131 HydrophobicContact CD1-CG2 3.85Å; I966-I1131 HydrophobicContact CG2-CG2 4.39Å; I1101-I1131 HydrophobicContact CG2-CD1 4.04Å; I1101-I1131 HydrophobicContact CG2-CG1 4.19Å; F1111-I1131 HydrophobicContact CB-CD1 4.37Å; F1111-I1131 HydrophobicContact CD1-CD1 4.11Å; V1113-I1131 HydrophobicContact CG2-CB 4.4Å; V1113-I1131 HydrophobicContact CG2-CD1 3.98Å; V1113-I1131 HydrophobicContact CG2-CG1 3.27Å; A1127-I1131 PolarHBondContact O-N 3.34Å; G1128-I1131 PolarHBondContact O-N 3.37Å; R1129-I1131 VanDerWaalsContact C-N 3.31Å; R1129-I1131 PolarHBondContact O-N 3.18Å; I1131-E1133 PolarHBondContact O-N 2.93Å; I1131-K1134 PolarHBondContact O-N 2.72Å; I1131-I1135 HydrophobicContact CG2-CD1 3.5Å; I1131-I1135 VanDerWaalsContact CG2-CD1 3.5Å; I1131-I1135 HydrophobicContact CG2-CG1 4.24Å; I1131-I1135 WeakPolarHBondContact O-CB 3.18Å; I1131-I1135 VanDerWaalsContact O-CG1 3.31Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.26Å; I1131-I1135 PolarHBondContact O-N 3.3Å
1132M93.4Very high89.3Confident4 Ų413 Ų132%0.028%0.077CC..Hα-helixtrans-58.8-47.3175.5178.1-81.1-6000111.6W768 I769 R772 G1128 R1129 G1130 K1134 I1135 L1136W768-M1132 HydrophobicContact CB-CB 3.86Å; W768-M1132 HydrophobicContact CB-CG 4.22Å; I769-M1132 HydrophobicContact CB-CG 4.48Å; I769-M1132 HydrophobicContact CG1-CB 3.94Å; I769-M1132 HydrophobicContact CG1-CG 4Å; R772-M1132 HydrophobicContact CB-CG 4.17Å; R772-M1132 HydrophobicContact CB-SD 3.71Å; R772-M1132 HydrophobicContact CG-SD 3.75Å; G1128-M1132 PolarHBondContact O-N 3.45Å; G1128-M1132 VanDerWaalsContact O-N 3.13Å; R1129-M1132 VanDerWaalsContact CD-CE 3.46Å; R1129-M1132 WeakPolarHBondContact O-CB 3.42Å; R1129-M1132 PolarHBondContact O-N 2.95Å; R1129-M1132 VanDerWaalsContact O-N 3.15Å; G1130-M1132 PolarHBondContact O-N 3.44Å; M1132-K1134 VanDerWaalsContact C-N 3.3Å; M1132-K1134 PolarHBondContact O-N 2.91Å; M1132-I1135 PolarHBondContact O-N 3.28Å; M1132-L1136 HydrophobicContact CG-CD1 3.85Å; M1132-L1136 HydrophobicContact CG-CG 4.49Å; M1132-L1136 WeakPolarHBondContact O-CB 3.31Å; M1132-L1136 PolarHBondContact O-N 2.93Å; M1132-L1136 HydrophobicContact SD-CB 4.5Å; M1132-L1136 HydrophobicContact SD-CD1 3.84Å; M1132-L1136 HydrophobicContact SD-CG 4.5Å
1133E89.5Confident89.3Confident3 Ų313 Ų131%0.0148%0.077CC..Hα-helixtrans-61.2-42.5177.5-65.8177.8170.600110.7R1129 G1130 I1131 I1135 D1137 G1138 A1139 V1141 S1142R1129-E1133 IonicContact CZ-OE1 2.79Å; R1129-E1133 IonicContact NE-OE1 3.97Å; R1129-E1133 PolarHBondContact NE-OE1 2.74Å; R1129-E1133 IonicContact NH2-OE1 3.79Å; R1129-E1133 PolarHBondContact NH2-OE1 2.8Å; R1129-E1133 WeakPolarHBondContact O-CG 3.49Å; R1129-E1133 PolarHBondContact O-N 2.96Å; G1130-E1133 PolarHBondContact O-N 3.21Å; I1131-E1133 PolarHBondContact O-N 2.93Å; E1133-I1135 PolarHBondContact O-N 3.19Å; E1133-D1137 CarbonylContact O-C 3.5Å; E1133-D1137 VanDerWaalsContact O-CA 3.29Å; E1133-D1137 WeakPolarHBondContact O-CA 3.37Å; E1133-D1137 WeakPolarHBondContact O-CB 3.33Å; E1133-D1137 PolarHBondContact O-N 3.31Å; E1133-G1138 PolarHBondContact O-N 2.85Å; E1133-G1138 VanDerWaalsContact O-N 3.12Å; E1133-A1139 CarbonylContact C-O 3.59Å; E1133-A1139 VanDerWaalsContact C-O 3.28Å; E1133-A1139 WeakPolarHBondContact CB-O 3.37Å; E1133-V1141 PolarHBondContact OE2-N 2.84Å; E1133-S1142 VanDerWaalsContact OE1-CB 3.29Å; E1133-S1142 WeakPolarHBondContact OE1-CB 3.39Å; E1133-S1142 PolarHBondContact OE1-N 3.26Å; E1133-S1142 PolarHBondContact OE1-OG 2.85Å; E1133-S1142 VanDerWaalsContact OE1-OG 3.05Å; E1133-S1142 PolarHBondContact OE2-N 2.93Å; E1133-S1142 PolarHBondContact OE2-OG 3.22Å
1134K87.7Confident89Confident21 Ų2114.3 Ų14.39%0.0918%0.084CC..Hα-helixtrans-63.7-41.5178.8-17163.1-176.3171.70112.7D687 F1111 G1130 I1131 M1132 G1138 Y1140D687-K1134 IonicContact OD1-NZ 3.88Å; D687-K1134 PolarHBondContact OD1-NZ 3.17Å; D687-K1134 WeakPolarHBondContact OD2-CE 3.45Å; D687-K1134 IonicContact OD2-NZ 2.84Å; D687-K1134 PolarHBondContact OD2-NZ 3.15Å; F1111-K1134 HydrophobicContact CE1-CG 3.97Å; G1130-K1134 WeakPolarHBondContact O-CB 3.18Å; G1130-K1134 PolarHBondContact O-N 2.91Å; I1131-K1134 PolarHBondContact O-N 2.72Å; M1132-K1134 VanDerWaalsContact C-N 3.3Å; M1132-K1134 PolarHBondContact O-N 2.91Å; K1134-G1138 PolarHBondContact NZ-O 3.41Å; K1134-G1138 VanDerWaalsContact NZ-O 3.12Å; K1134-G1138 VanDerWaalsContact O-CA 3.24Å; K1134-G1138 WeakPolarHBondContact O-CA 3.32Å; K1134-G1138 PolarHBondContact O-N 2.81Å; K1134-Y1140 HydrophobicContact CB-CE1 3.96Å; K1134-Y1140 HydrophobicContact CD-CE2 4.25Å
1135I86.5Confident88.8Confident32 Ų3214.3 Ų14.316%0.1648%0.084CC..Hα-helixtrans-71.4-45.7179.8-72.6169000111.3I769 I964 I966 F1111 I1131 M1132 E1133I769-I1135 HydrophobicContact CD1-CD1 4.29Å; I964-I1135 HydrophobicContact CD1-CB 4.5Å; I964-I1135 HydrophobicContact CD1-CD1 4.49Å; I964-I1135 HydrophobicContact CD1-CG1 4.36Å; I964-I1135 HydrophobicContact CD1-CG2 3.42Å; I964-I1135 VanDerWaalsContact CD1-CG2 3.42Å; I964-I1135 HydrophobicContact CG2-CD1 3.99Å; I966-I1135 HydrophobicContact CD1-CD1 3.73Å; I966-I1135 HydrophobicContact CG1-CD1 4.36Å; F1111-I1135 HydrophobicContact CD1-CG1 4.41Å; F1111-I1135 HydrophobicContact CD2-CD1 4.4Å; F1111-I1135 HydrophobicContact CD2-CG1 4.36Å; F1111-I1135 HydrophobicContact CE1-CG1 4.02Å; F1111-I1135 HydrophobicContact CE2-CD1 4.45Å; F1111-I1135 HydrophobicContact CE2-CG1 3.97Å; F1111-I1135 HydrophobicContact CZ-CG1 3.79Å; I1131-I1135 HydrophobicContact CG2-CD1 3.5Å; I1131-I1135 VanDerWaalsContact CG2-CD1 3.5Å; I1131-I1135 HydrophobicContact CG2-CG1 4.24Å; I1131-I1135 WeakPolarHBondContact O-CB 3.18Å; I1131-I1135 VanDerWaalsContact O-CG1 3.31Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.26Å; I1131-I1135 PolarHBondContact O-N 3.3Å; M1132-I1135 PolarHBondContact O-N 3.28Å; E1133-I1135 PolarHBondContact O-N 3.19Å
1136L83.5Confident88.5Confident55 Ų5516.9 Ų16.929%0.2889%0.094SC..Hα-helixtrans-95.3-36.5-168.9-62.6-177.6000113.7R772 I773 M1132R772-L1136 HydrophobicContact CB-CD1 3.69Å; R772-L1136 HydrophobicContact CG-CD1 3.57Å; I773-L1136 HydrophobicContact CD1-CD1 3.73Å; I773-L1136 HydrophobicContact CD1-CD2 3.55Å; I773-L1136 HydrophobicContact CD1-CG 4.3Å; I773-L1136 HydrophobicContact CG1-CD1 4.01Å; M1132-L1136 HydrophobicContact CG-CD1 3.85Å; M1132-L1136 HydrophobicContact CG-CG 4.49Å; M1132-L1136 WeakPolarHBondContact O-CB 3.31Å; M1132-L1136 PolarHBondContact O-N 2.93Å; M1132-L1136 HydrophobicContact SD-CB 4.5Å; M1132-L1136 HydrophobicContact SD-CD1 3.84Å; M1132-L1136 HydrophobicContact SD-CG 4.5Å
1137D79.3Confident88.3Confident61 Ų6119.3 Ų19.333%0.32611%0.107SC..THydrogen-bonded Turntrans-103.8-10.3-177.8-53.5-58.1000111.8R772 E1133 A1139R772-D1137 IonicContact NH2-OD1 2.7Å; R772-D1137 PolarHBondContact NH2-OD1 3.03Å; R772-D1137 VanDerWaalsContact NH2-OD1 3.07Å; R772-D1137 IonicContact NH2-OD2 3.78Å; E1133-D1137 CarbonylContact O-C 3.5Å; E1133-D1137 VanDerWaalsContact O-CA 3.29Å; E1133-D1137 WeakPolarHBondContact O-CA 3.37Å; E1133-D1137 WeakPolarHBondContact O-CB 3.33Å; E1133-D1137 PolarHBondContact O-N 3.31Å; D1137-A1139 PolarHBondContact O-N 3.45Å
1138G77.7Confident88.1Confident37 Ų3719.4 Ų19.438%0.38111%0.107SC..SBendtrans77.3-0.6178.600000114.7E1133 K1134E1133-G1138 PolarHBondContact O-N 2.85Å; E1133-G1138 VanDerWaalsContact O-N 3.12Å; K1134-G1138 PolarHBondContact NZ-O 3.41Å; K1134-G1138 VanDerWaalsContact NZ-O 3.12Å; K1134-G1138 VanDerWaalsContact O-CA 3.24Å; K1134-G1138 WeakPolarHBondContact O-CA 3.32Å; K1134-G1138 PolarHBondContact O-N 2.81Å
1139A82.2Confident87.9Confident1 Ų119.8 Ų19.81%0.00811%0.109CC..SBendtrans-151.8155-169.600000109.6N691 F694 E1133 D1137N691-A1139 VanDerWaalsContact OD1-CA 3.29Å; N691-A1139 WeakPolarHBondContact OD1-CA 3.39Å; N691-A1139 WeakPolarHBondContact OD1-CB 3.5Å; F694-A1139 HydrophobicContact CD2-CB 3.76Å; F694-A1139 HydrophobicContact CE2-CB 3.46Å; F694-A1139 VanDerWaalsContact CE2-CB 3.46Å; F694-A1139 HydrophobicContact CZ-CB 4.38Å; E1133-A1139 CarbonylContact C-O 3.59Å; E1133-A1139 VanDerWaalsContact C-O 3.28Å; E1133-A1139 WeakPolarHBondContact CB-O 3.37Å; D1137-A1139 PolarHBondContact O-N 3.45Å
1140Y86.4Confident87.6Confident0 Ų019.9 Ų19.90%011%0.11CC..  trans-83.4126169.3-56.6-74.4000109.8N691 Y695 G1130 K1134 I1143 L1145 R1146 H1149N691-Y1140 PolarHBondContact OD1-N 3.39Å; N691-Y1140 PolarHBondContact OD1-O 3.17Å; Y695-Y1140 PolarHBondContact OH-O 2.62Å; G1130-Y1140 WeakPolarHBondContact O-CD1 3.33Å; G1130-Y1140 WeakPolarHBondContact O-CE1 3.42Å; K1134-Y1140 HydrophobicContact CB-CE1 3.96Å; K1134-Y1140 HydrophobicContact CD-CE2 4.25Å; Y1140-I1143 WeakPolarHBondContact CB-O 3.49Å; Y1140-L1145 HydrophobicContact CD1-CB 4.21Å; Y1140-L1145 HydrophobicContact CD2-CB 4.42Å; Y1140-L1145 HydrophobicContact CE1-CB 3.9Å; Y1140-L1145 HydrophobicContact CE1-CD1 4.35Å; Y1140-L1145 HydrophobicContact CE2-CB 4.15Å; Y1140-L1145 HydrophobicContact CG-CB 4.46Å; Y1140-R1146 HydrophobicContact CD2-CG 3.94Å; Y1140-R1146 HydrophobicContact CE2-CG 3.9Å; Y1140-H1149 AromaticContact CE2-NE2 3.28Å; Y1140-H1149 VanDerWaalsContact CE2-NE2 3.28Å; Y1140-H1149 WeakPolarHBondContact CE2-NE2 3.39Å; Y1140-H1149 AromaticContact CZ-NE2 3.43Å; Y1140-H1149 PolarHBondContact OH-NE2 3.39Å
1141V82.2Confident87.2Confident40 Ų4020.5 Ų20.524%0.24211%0.114CC..SBendtrans-106-33.2-177.5-175.30000110.5F694 R704 E1133F694-V1141 HydrophobicContact CD1-CG2 4.14Å; F694-V1141 HydrophobicContact CE1-CG2 4.38Å; F694-V1141 HydrophobicContact CG-CG2 4.35Å; R704-V1141 WeakPolarHBondContact CD-O 3.46Å; E1133-V1141 PolarHBondContact OE2-N 2.84Å
1142S86.1Confident86.9Confident1 Ų120.7 Ų20.71%0.00711%0.114CC..SBendtrans-82-70.9179.754.80000112.5R704 E1133R704-S1142 WeakPolarHBondContact CD-O 3.31Å; E1133-S1142 VanDerWaalsContact OE1-CB 3.29Å; E1133-S1142 WeakPolarHBondContact OE1-CB 3.39Å; E1133-S1142 PolarHBondContact OE1-N 3.26Å; E1133-S1142 PolarHBondContact OE1-OG 2.85Å; E1133-S1142 VanDerWaalsContact OE1-OG 3.05Å; E1133-S1142 PolarHBondContact OE2-N 2.93Å; E1133-S1142 PolarHBondContact OE2-OG 3.22Å
1143I88.5Confident86.4Confident1 Ų122.2 Ų22.21%0.00512%0.122CC..SBendtrans-123.4130.8-176.9-56170.7000108V705 E809 Q812 M813 F816 P1126 Y1140 L1145V705-I1143 HydrophobicContact CG2-CD1 4.41Å; V705-I1143 HydrophobicContact CG2-CG1 3.71Å; E809-I1143 HydrophobicContact CB-CG2 4.27Å; E809-I1143 HydrophobicContact CG-CG2 4.44Å; Q812-I1143 HydrophobicContact CB-CD1 4.1Å; Q812-I1143 HydrophobicContact CB-CG1 4.16Å; Q812-I1143 HydrophobicContact CB-CG2 4.16Å; M813-I1143 HydrophobicContact CB-CD1 4.45Å; M813-I1143 HydrophobicContact CG-CD1 3.87Å; F816-I1143 HydrophobicContact CB-CD1 4.18Å; F816-I1143 HydrophobicContact CD2-CD1 4.44Å; P1126-I1143 HydrophobicContact CB-CD1 3.9Å; Y1140-I1143 WeakPolarHBondContact CB-O 3.49Å; I1143-L1145 HydrophobicContact CB-CD2 4.33Å; I1143-L1145 HydrophobicContact CB-CG 4.35Å; I1143-L1145 HydrophobicContact CG2-CD2 3.7Å; I1143-L1145 HydrophobicContact CG2-CG 4.18Å; I1143-L1145 PolarHBondContact O-N 3.01Å
1144D87.8Confident85.8Confident29 Ų2924 Ų2416%0.15513%0.131CC..  trans-75.885.6-178.5-166.3-3.7000112N691 Y695 R1146N691-D1144 PolarHBondContact ND2-OD1 3.01Å; Y695-D1144 HydrophobicContact CE2-CB 4Å; Y695-D1144 WeakPolarHBondContact OH-CA 3.19Å; Y695-D1144 VanDerWaalsContact OH-CB 3.3Å; Y695-D1144 WeakPolarHBondContact OH-CB 3.47Å; D1144-R1146 VanDerWaalsContact C-N 3.26Å; D1144-R1146 PolarHBondContact O-N 3.47Å; D1144-R1146 WeakPolarHBondContact OD1-CG 3.27Å; D1144-R1146 IonicContact OD1-CZ 3.27Å; D1144-R1146 PolarHBondContact OD1-N 2.84Å; D1144-R1146 IonicContact OD1-NE 3.3Å; D1144-R1146 PolarHBondContact OD1-NE 3.28Å; D1144-R1146 IonicContact OD1-NH2 3.78Å; D1144-R1146 IonicContact OD2-CZ 3.46Å; D1144-R1146 IonicContact OD2-NE 2.59Å; D1144-R1146 PolarHBondContact OD2-NE 3.49Å; D1144-R1146 IonicContact OD2-NH2 2.67Å; D1144-R1146 PolarHBondContact OD2-NH2 2.81Å
1145L91.2Very high85.3Confident0 Ų028.4 Ų28.40%015%0.147CC..G310 helixtrans-85.715.4-175.6-60.2176.4000114M813 I1101 Y1140 I1143 D1147 F1148 H1149M813-L1145 HydrophobicContact CE-CD2 4.48Å; M813-L1145 HydrophobicContact CG-CD2 4.23Å; M813-L1145 HydrophobicContact SD-CD2 3.81Å; I1101-L1145 HydrophobicContact CD1-CD1 4.35Å; I1101-L1145 HydrophobicContact CG2-CD1 3.95Å; Y1140-L1145 HydrophobicContact CD1-CB 4.21Å; Y1140-L1145 HydrophobicContact CD2-CB 4.42Å; Y1140-L1145 HydrophobicContact CE1-CB 3.9Å; Y1140-L1145 HydrophobicContact CE1-CD1 4.35Å; Y1140-L1145 HydrophobicContact CE2-CB 4.15Å; Y1140-L1145 HydrophobicContact CG-CB 4.46Å; I1143-L1145 HydrophobicContact CB-CD2 4.33Å; I1143-L1145 HydrophobicContact CB-CG 4.35Å; I1143-L1145 HydrophobicContact CG2-CD2 3.7Å; I1143-L1145 HydrophobicContact CG2-CG 4.18Å; I1143-L1145 PolarHBondContact O-N 3.01Å; L1145-D1147 PolarHBondContact O-N 2.84Å; L1145-F1148 HydrophobicContact CB-CD2 4.34Å; L1145-F1148 HydrophobicContact CD2-CD2 3.84Å; L1145-F1148 HydrophobicContact CD2-CE2 4.04Å; L1145-F1148 WeakPolarHBondContact O-CB 3.43Å; L1145-F1148 PolarHBondContact O-N 2.79Å; L1145-H1149 PolarHBondContact O-CD2 2.97Å
1146R88.4Confident85Confident54 Ų5429.3 Ų29.320%0.20417%0.165CC..G310 helixtrans-59.9-32.5179.7-72.5178.7-63.5171.95.6112.9D687 E688 Y1140 D1144 F1148 H1149D687-R1146 VanDerWaalsContact O-CD 3.31Å; D687-R1146 WeakPolarHBondContact O-CD 3.48Å; D687-R1146 PolarHBondContact O-NH1 2.9Å; E688-R1146 PolarHBondContact O-NH1 3.1Å; Y1140-R1146 HydrophobicContact CD2-CG 3.94Å; Y1140-R1146 HydrophobicContact CE2-CG 3.9Å; D1144-R1146 VanDerWaalsContact C-N 3.26Å; D1144-R1146 PolarHBondContact O-N 3.47Å; D1144-R1146 WeakPolarHBondContact OD1-CG 3.27Å; D1144-R1146 IonicContact OD1-CZ 3.27Å; D1144-R1146 PolarHBondContact OD1-N 2.84Å; D1144-R1146 IonicContact OD1-NE 3.3Å; D1144-R1146 PolarHBondContact OD1-NE 3.28Å; D1144-R1146 IonicContact OD1-NH2 3.78Å; D1144-R1146 IonicContact OD2-CZ 3.46Å; D1144-R1146 IonicContact OD2-NE 2.59Å; D1144-R1146 PolarHBondContact OD2-NE 3.49Å; D1144-R1146 IonicContact OD2-NH2 2.67Å; D1144-R1146 PolarHBondContact OD2-NH2 2.81Å; R1146-F1148 PolarHBondContact O-N 3.09Å; R1146-H1149 WeakPolarHBondContact O-CB 3.15Å; R1146-H1149 PolarHBondContact O-N 3.41Å; R1146-H1149 VanDerWaalsContact O-N 3.14Å
1147D89.3Confident84.9Confident53 Ų5330.7 Ų30.728%0.28317%0.168SC..G310 helixtrans-69.2-16177-82.5-4.2000112.7L1145 R1152 K1157 M1159L1145-D1147 PolarHBondContact O-N 2.84Å; D1147-R1152 WeakPolarHBondContact O-CD 3.34Å; D1147-K1157 IonicContact OD1-NZ 2.76Å; D1147-K1157 PolarHBondContact OD1-NZ 2.95Å; D1147-K1157 IonicContact OD2-NZ 3.93Å; D1147-K1157 PolarHBondContact OD2-NZ 3.43Å; D1147-M1159 HydrophobicContact CB-CE 3.94Å; D1147-M1159 HydrophobicContact CB-SD 4.18Å
1148F92.7Very high85.2Confident1 Ų135.9 Ų35.90%0.00418%0.184CC..G310 helixtrans-90.13.5173.6-65.9-96.3000113.5I807 E809 K810 M813 N1098 A1099 I1100 I1101 L1145 R1146 R1152 M1159I807-F1148 HydrophobicContact CG2-CZ 4.44Å; E809-F1148 HydrophobicContact CB-CE2 3.62Å; E809-F1148 HydrophobicContact CB-CZ 4.25Å; E809-F1148 HydrophobicContact CG-CE2 4.21Å; K810-F1148 HydrophobicContact CG-CZ 4.04Å; M813-F1148 HydrophobicContact CE-CE1 4.03Å; M813-F1148 HydrophobicContact CE-CE2 4.22Å; M813-F1148 HydrophobicContact CE-CZ 3.67Å; N1098-F1148 HydrophobicContact CB-CE1 4.42Å; A1099-F1148 HydrophobicContact CB-CD1 4.03Å; A1099-F1148 HydrophobicContact CB-CE1 4.45Å; A1099-F1148 WeakPolarHBondContact O-CD1 3.27Å; I1100-F1148 CarbonylContact C-O 3.57Å; I1100-F1148 WeakPolarHBondContact CA-O 3.35Å; I1101-F1148 HydrophobicContact CB-CB 3.9Å; I1101-F1148 HydrophobicContact CD1-CB 4.24Å; I1101-F1148 HydrophobicContact CD1-CD1 4.13Å; I1101-F1148 HydrophobicContact CD1-CG 4.17Å; I1101-F1148 HydrophobicContact CG1-CB 4.22Å; I1101-F1148 PolarHBondContact N-O 2.83Å; I1101-F1148 CarbonylContact O-C 3.33Å; L1145-F1148 HydrophobicContact CB-CD2 4.34Å; L1145-F1148 HydrophobicContact CD2-CD2 3.84Å; L1145-F1148 HydrophobicContact CD2-CE2 4.04Å; L1145-F1148 WeakPolarHBondContact O-CB 3.43Å; L1145-F1148 PolarHBondContact O-N 2.79Å; R1146-F1148 PolarHBondContact O-N 3.09Å; F1148-R1152 PolarHBondContact O-NH1 3.17Å; F1148-M1159 HydrophobicContact CD1-SD 4.34Å; F1148-M1159 HydrophobicContact CD2-CE 4.22Å; F1148-M1159 HydrophobicContact CE1-CE 4.15Å; F1148-M1159 HydrophobicContact CE1-SD 4.38Å; F1148-M1159 HydrophobicContact CE2-CE 3.76Å; F1148-M1159 HydrophobicContact CG-SD 4.44Å; F1148-M1159 HydrophobicContact CZ-CE 3.72Å; F1148-M1159 HydrophobicContact CZ-SD 4.5Å
1149H92Very high85.6Confident9 Ų935 Ų354%0.04217%0.17CC..SBendtrans-68.3152.4177.1-74.2-158.6000111.4D687 I1101 P1103 Y1140 L1145 R1146 D1151 R1152D687-H1149 IonicContact OD2-CE1 3.87Å; D687-H1149 PolarHBondContact OD2-CE1 2.65Å; D687-H1149 IonicContact OD2-ND1 2.84Å; I1101-H1149 PolarHBondContact O-CD2 2.97Å; P1103-H1149 VanDerWaalsContact CD-CE1 3.44Å; P1103-H1149 WeakPolarHBondContact CD-CE1 3.38Å; Y1140-H1149 AromaticContact CE2-NE2 3.28Å; Y1140-H1149 VanDerWaalsContact CE2-NE2 3.28Å; Y1140-H1149 WeakPolarHBondContact CE2-NE2 3.39Å; Y1140-H1149 AromaticContact CZ-NE2 3.43Å; Y1140-H1149 PolarHBondContact OH-NE2 3.39Å; L1145-H1149 PolarHBondContact O-CD2 2.97Å; R1146-H1149 WeakPolarHBondContact O-CB 3.15Å; R1146-H1149 PolarHBondContact O-N 3.41Å; R1146-H1149 VanDerWaalsContact O-N 3.14Å; H1149-D1151 WeakPolarHBondContact CB-OD1 3.47Å; H1149-D1151 IonicContact CG-OD1 3.42Å; H1149-D1151 PolarHBondContact O-N 3.31Å; H1149-R1152 WeakPolarHBondContact O-CD 3.2Å; H1149-R1152 VanDerWaalsContact O-CG 3.28Å; H1149-R1152 WeakPolarHBondContact O-CG 3.45Å; H1149-R1152 PolarHBondContact O-N 3Å; H1149-R1152 PolarHBondContact O-NH1 3.18Å
1150L87.9Confident85.4Confident16 Ų1637.8 Ų37.88%0.08419%0.192CC..THydrogen-bonded Turntrans-65.7-28.8177.5-173.170.1000112.1F993 P994 I1100 P1105 R1152 M1153F993-L1150 HydrophobicContact CD2-CD1 4.21Å; F993-L1150 HydrophobicContact CD2-CD2 4.18Å; F993-L1150 HydrophobicContact CE2-CD1 3.82Å; F993-L1150 HydrophobicContact CE2-CD2 3.87Å; F993-L1150 HydrophobicContact CE2-CG 4.49Å; P994-L1150 HydrophobicContact CG-CD1 4.49Å; I1100-L1150 HydrophobicContact CD1-CD1 3.54Å; I1100-L1150 HydrophobicContact CG1-CD1 4.23Å; I1100-L1150 HydrophobicContact CG2-CB 3.96Å; I1100-L1150 HydrophobicContact CG2-CD1 4.11Å; P1105-L1150 HydrophobicContact CG-CD2 4.34Å; L1150-R1152 PolarHBondContact O-N 3.25Å; L1150-R1152 VanDerWaalsContact O-N 3.15Å; L1150-M1153 HydrophobicContact CD1-SD 3.48Å; L1150-M1153 WeakPolarHBondContact CD1-SD 3.21Å; L1150-M1153 HydrophobicContact CG-SD 4.37Å; L1150-M1153 WeakPolarHBondContact O-CB 3.45Å; L1150-M1153 PolarHBondContact O-N 2.86Å; L1150-M1153 VanDerWaalsContact O-N 3.14Å
1151D84Confident84.5Confident13 Ų1339.8 Ų39.87%0.0721%0.206CC..Hα-helixtrans-64.5-17.4-178.677.7-42.2000113.8L684 P1105 H1149 M1153 L1154 R1155L684-D1151 HydrophobicContact CD2-CB 3.92Å; L684-D1151 WeakPolarHBondContact CD2-OD2 3.46Å; P1105-D1151 HydrophobicContact CB-CB 4.33Å; H1149-D1151 WeakPolarHBondContact CB-OD1 3.47Å; H1149-D1151 IonicContact CG-OD1 3.42Å; H1149-D1151 PolarHBondContact O-N 3.31Å; D1151-M1153 PolarHBondContact O-N 2.75Å; D1151-L1154 HydrophobicContact CB-CD1 4.47Å; D1151-L1154 WeakPolarHBondContact O-CB 3.37Å; D1151-L1154 PolarHBondContact O-N 3.08Å; D1151-R1155 WeakPolarHBondContact O-CG 3.44Å; D1151-R1155 PolarHBondContact O-N 2.77Å; D1151-R1155 VanDerWaalsContact O-N 3.09Å; D1151-R1155 IonicContact OD2-CZ 3.74Å; D1151-R1155 IonicContact OD2-NE 2.62Å; D1151-R1155 PolarHBondContact OD2-NE 3.48Å; D1151-R1155 IonicContact OD2-NH1 3.74Å; D1151-R1155 IonicContact OD2-NH2 3.3Å; D1151-R1155 PolarHBondContact OD2-NH2 3.22Å
1152R87.6Confident83.5Confident4 Ų440.1 Ų40.12%0.01521%0.206CC..Hα-helixtrans-57.7-33.817381.9-171.8-179-107.113.2111.7N1093 Y1095 D1096 N1098 A1099 D1147 F1148 H1149 L1150 R1155 G1156 K1157N1093-R1152 PolarHBondContact ND2-NH2 2.53Å; Y1095-R1152 HydrophobicContact CE1-CG 4.32Å; D1096-R1152 IonicContact OD1-CZ 3.55Å; D1096-R1152 IonicContact OD1-NE 3.49Å; D1096-R1152 IonicContact OD1-NH2 2.84Å; D1096-R1152 PolarHBondContact OD1-NH2 3.1Å; D1096-R1152 IonicContact OD2-CZ 2.67Å; D1096-R1152 IonicContact OD2-NE 3.68Å; D1096-R1152 PolarHBondContact OD2-NE 3.24Å; D1096-R1152 IonicContact OD2-NH2 3.46Å; D1096-R1152 PolarHBondContact OD2-NH2 3.2Å; N1098-R1152 PolarHBondContact O-NH2 2.82Å; N1098-R1152 VanDerWaalsContact O-NH2 3.07Å; A1099-R1152 PolarHBondContact O-NH1 3.19Å; A1099-R1152 PolarHBondContact O-NH2 2.87Å; D1147-R1152 WeakPolarHBondContact O-CD 3.34Å; F1148-R1152 PolarHBondContact O-NH1 3.17Å; H1149-R1152 WeakPolarHBondContact O-CD 3.2Å; H1149-R1152 VanDerWaalsContact O-CG 3.28Å; H1149-R1152 WeakPolarHBondContact O-CG 3.45Å; H1149-R1152 PolarHBondContact O-N 3Å; H1149-R1152 PolarHBondContact O-NH1 3.18Å; L1150-R1152 PolarHBondContact O-N 3.25Å; L1150-R1152 VanDerWaalsContact O-N 3.15Å; R1152-R1155 CarbonylContact O-C 3.5Å; R1152-R1155 PolarHBondContact O-N 3.13Å; R1152-G1156 PolarHBondContact O-N 2.85Å; R1152-G1156 VanDerWaalsContact O-N 3.1Å; R1152-K1157 HydrophobicContact CB-CB 4.37Å; R1152-K1157 PolarHBondContact O-N 3.05Å
1153M82.9Confident81.7Confident35 Ų3543.8 Ų43.817%0.17223%0.232CC..Hα-helixtrans-64.3-43.5175.2-61.9174.565.600111.1P994 Y1095 L1150 D1151 R1155 G1156P994-M1153 HydrophobicContact CB-CE 3.76Å; P994-M1153 HydrophobicContact CB-SD 4.32Å; P994-M1153 HydrophobicContact CG-CE 3.66Å; P994-M1153 HydrophobicContact CG-SD 3.58Å; P994-M1153 VanDerWaalsContact CG-SD 3.58Å; Y1095-M1153 HydrophobicContact CD1-CG 3.55Å; Y1095-M1153 HydrophobicContact CD1-SD 4.49Å; Y1095-M1153 HydrophobicContact CD2-CE 4.02Å; Y1095-M1153 HydrophobicContact CD2-CG 4.04Å; Y1095-M1153 HydrophobicContact CE1-CB 4.33Å; Y1095-M1153 HydrophobicContact CE1-CG 3.68Å; Y1095-M1153 HydrophobicContact CE2-CB 4.28Å; Y1095-M1153 HydrophobicContact CE2-CG 4.16Å; Y1095-M1153 HydrophobicContact CG-CE 4.02Å; Y1095-M1153 HydrophobicContact CG-CG 3.73Å; Y1095-M1153 HydrophobicContact CG-SD 4.29Å; L1150-M1153 HydrophobicContact CD1-SD 3.48Å; L1150-M1153 WeakPolarHBondContact CD1-SD 3.21Å; L1150-M1153 HydrophobicContact CG-SD 4.37Å; L1150-M1153 WeakPolarHBondContact O-CB 3.45Å; L1150-M1153 PolarHBondContact O-N 2.86Å; L1150-M1153 VanDerWaalsContact O-N 3.14Å; D1151-M1153 PolarHBondContact O-N 2.75Å; M1153-R1155 PolarHBondContact O-N 2.75Å; M1153-G1156 PolarHBondContact O-N 3.48Å
1154L77.9Confident81.4Confident41 Ų4145.9 Ų45.922%0.21524%0.243CC..Hα-helixtrans-65.5-24.4177.3-57.9173.3000112.2F680 L988 I991 P1105 F1106 D1151F680-L1154 HydrophobicContact CE1-CD1 3.95Å; F680-L1154 HydrophobicContact CZ-CD1 3.66Å; L988-L1154 HydrophobicContact CD2-CD2 4.2Å; I991-L1154 HydrophobicContact CD1-CD2 3.58Å; P1105-L1154 HydrophobicContact CB-CD1 3.69Å; P1105-L1154 HydrophobicContact CG-CD1 3.66Å; F1106-L1154 HydrophobicContact CE2-CD1 4.38Å; D1151-L1154 HydrophobicContact CB-CD1 4.47Å; D1151-L1154 WeakPolarHBondContact O-CB 3.37Å; D1151-L1154 PolarHBondContact O-N 3.08Å
1155R77.8Confident81Confident113 Ų11346.8 Ų46.843%0.42625%0.248SC..THydrogen-bonded Turntrans-89.1-5174.7-62166.1179.7-165.3-9.6113L684 D1151 R1152 M1153 K1157L684-R1155 VanDerWaalsContact CD2-CZ 3.48Å; L684-R1155 VanDerWaalsContact CD2-NE 3.26Å; D1151-R1155 WeakPolarHBondContact O-CG 3.44Å; D1151-R1155 PolarHBondContact O-N 2.77Å; D1151-R1155 VanDerWaalsContact O-N 3.09Å; D1151-R1155 IonicContact OD2-CZ 3.74Å; D1151-R1155 IonicContact OD2-NE 2.62Å; D1151-R1155 PolarHBondContact OD2-NE 3.48Å; D1151-R1155 IonicContact OD2-NH1 3.74Å; D1151-R1155 IonicContact OD2-NH2 3.3Å; D1151-R1155 PolarHBondContact OD2-NH2 3.22Å; R1152-R1155 CarbonylContact O-C 3.5Å; R1152-R1155 PolarHBondContact O-N 3.13Å; M1153-R1155 PolarHBondContact O-N 2.75Å; R1155-K1157 PolarHBondContact O-N 2.81Å
1156G78.8Confident80.4Confident52 Ų5249.4 Ų49.454%0.53626%0.262SS..THydrogen-bonded Turntrans65.119.3-173.600000114.2Y1095 R1152 M1153Y1095-G1156 VanDerWaalsContact OH-C 3.3Å; R1152-G1156 PolarHBondContact O-N 2.85Å; R1152-G1156 VanDerWaalsContact O-N 3.1Å; M1153-G1156 PolarHBondContact O-N 3.48Å
1157K82.3Confident80Confident83 Ų8349.1 Ų49.136%0.36127%0.265SS..PPolyproline II helixtrans-86.1121.9176.5-179.8179.6173.8-178.50108.3Y1095 D1147 R1152 R1155Y1095-K1157 VanDerWaalsContact CE1-O 3.23Å; Y1095-K1157 WeakPolarHBondContact CE1-O 3.31Å; Y1095-K1157 VanDerWaalsContact OH-C 3.29Å; Y1095-K1157 PolarHBondContact OH-N 3.46Å; Y1095-K1157 PolarHBondContact OH-O 3.32Å; D1147-K1157 IonicContact OD1-NZ 2.76Å; D1147-K1157 PolarHBondContact OD1-NZ 2.95Å; D1147-K1157 IonicContact OD2-NZ 3.93Å; D1147-K1157 PolarHBondContact OD2-NZ 3.43Å; R1152-K1157 HydrophobicContact CB-CB 4.37Å; R1152-K1157 PolarHBondContact O-N 3.05Å; R1155-K1157 PolarHBondContact O-N 2.81Å
1158R86Confident79.4Confident171 Ų17148.9 Ų48.965%0.64526%0.264SS*.PPolyproline II helixtrans-102.6138.1169.7-69.9-175.7173.5-136.6-2.7109.4Y1095 D1096Y1095-R1158 HydrophobicContact CE1-CG 3.79Å; Y1095-R1158 HydrophobicContact CE2-CG 4.25Å; Y1095-R1158 PolarHBondContact O-NH1 2.81Å; D1096-R1158 HydrophobicContact CB-CB 4.15Å; D1096-R1158 HydrophobicContact CB-CG 4.33Å
1159M86.1Confident78.5Confident19 Ų1952.1 Ų52.19%0.09428%0.281CS..PPolyproline II helixtrans-82.8157.3169.9-63.4-177.774.900110.3I807 D1096 N1098 D1147 F1148 C1161I807-M1159 HydrophobicContact CD1-CB 4.33Å; I807-M1159 HydrophobicContact CD1-CE 3.93Å; I807-M1159 HydrophobicContact CG2-CE 3.92Å; D1096-M1159 PolarHBondContact OD2-N 3.09Å; D1096-M1159 VanDerWaalsContact OD2-N 3.09Å; N1098-M1159 HydrophobicContact CB-CB 4.31Å; N1098-M1159 HydrophobicContact CB-SD 4.1Å; N1098-M1159 WeakPolarHBondContact ND2-CB 3.21Å; D1147-M1159 HydrophobicContact CB-CE 3.94Å; D1147-M1159 HydrophobicContact CB-SD 4.18Å; F1148-M1159 HydrophobicContact CD1-SD 4.34Å; F1148-M1159 HydrophobicContact CD2-CE 4.22Å; F1148-M1159 HydrophobicContact CE1-CE 4.15Å; F1148-M1159 HydrophobicContact CE1-SD 4.38Å; F1148-M1159 HydrophobicContact CE2-CE 3.76Å; F1148-M1159 HydrophobicContact CG-SD 4.44Å; F1148-M1159 HydrophobicContact CZ-CE 3.72Å; F1148-M1159 HydrophobicContact CZ-SD 4.5Å; M1159-C1161 PolarHBondContact O-N 3.41Å
1160A76.6Confident77.5Confident58 Ų5855.1 Ų55.148%0.47930%0.299SS..PPolyproline II helixtrans-60.8131.3171.700000109.3I807 N1098I807-A1160 WeakPolarHBondContact CD1-O 3.31Å; I807-A1160 HydrophobicContact CG1-CB 4.33Å; N1098-A1160 PolarHBondContact ND2-O 3.13Å
1161C67.8Low76.8Confident43 Ų4358.2 Ų58.229%0.29132%0.315SS..PPolyproline II helixtrans-88133.8172.7-171.20000108.5M1159 S1163M1159-C1161 PolarHBondContact O-N 3.41Å; C1161-S1163 PolarHBondContact O-N 3.41Å; C1161-S1163 PolarHBondContact SG-OG 3.07Å
1162D61.1Low76.1Confident46 Ų4661.9 Ų61.925%0.24634%0.335CS..  trans-85.826.5174.9-58.3-55.1000111.4F805 S806 K810F805-D1162 HydrophobicContact CD1-CB 4.19Å; F805-D1162 VanDerWaalsContact CD1-OD2 3.31Å; F805-D1162 WeakPolarHBondContact CD1-OD2 3.31Å; S806-D1162 WeakPolarHBondContact CB-OD1 3.32Å; S806-D1162 PolarHBondContact N-OD1 3.42Å; S806-D1162 PolarHBondContact OG-OD1 3.33Å; K810-D1162 WeakPolarHBondContact CD-OD2 3.3Å; K810-D1162 WeakPolarHBondContact CE-OD2 3.48Å; K810-D1162 IonicContact NZ-OD2 2.67Å; K810-D1162 PolarHBondContact NZ-OD2 3.19Å
1163S48.8Very low75.1Confident78 Ų7867.2 Ų67.255%0.54537%0.365SS..  trans-70.10176.847.10000112.3N1043 C1161N1043-S1163 PolarHBondContact OD1-OG 2.84Å; C1161-S1163 PolarHBondContact O-N 3.41Å; C1161-S1163 PolarHBondContact SG-OG 3.07Å

Retrieved 1,163 of 1,163 residues in 1039.2 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).