A0A077ZAM4_TRITR Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M33.6Very low51.9Low239 Ų23960.2 Ų60.2100%1.17734%0.336SS*.  0115.60-163.7175.7-85.200105.8S3M1-S3 PolarHBondContact O-N 3.4Å
2L44.5Very low53Low73 Ų7355.7 Ų55.738%0.38231%0.31SS..  trans-63.8118.5-178.4-56.3165.2000107.2T4 F19 L129 V139L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 3.36Å; L2-F19 HydrophobicContact CB-CE1 3.96Å; L2-F19 HydrophobicContact CD2-CD1 3.45Å; L2-F19 VanDerWaalsContact CD2-CD1 3.45Å; L2-F19 HydrophobicContact CD2-CE1 3.37Å; L2-F19 HydrophobicContact CG-CE1 4.26Å; L2-L129 HydrophobicContact CB-CD2 4.49Å; L2-L129 HydrophobicContact CD1-CD2 4.13Å; L2-L129 HydrophobicContact CD2-CD2 4.04Å; L2-L129 HydrophobicContact CG-CD2 4.43Å; L2-V139 HydrophobicContact CD1-CG2 4.31Å
3S51.7Low53.7Low23 Ų2351.7 Ų51.716%0.16129%0.289CS..  trans-96.559.4-177.766.30000110.8M1 P14M1-S3 PolarHBondContact O-N 3.4Å; S3-P14 WeakPolarHBondContact O-CD 3.22Å; S3-P14 WeakPolarHBondContact O-CG 3.04Å
4T53Low54.2Low20 Ų2048.1 Ų48.112%0.12327%0.269CS..  trans-92.5124.4158.843.20000106.7L2 V11 F141L2-T4 VanDerWaalsContact C-N 3.34Å; L2-T4 PolarHBondContact O-N 3.36Å; T4-V11 HydrophobicContact CG2-CG1 4.48Å; T4-F141 HydrophobicContact CG2-CE2 4.3Å; T4-F141 WeakPolarHBondContact OG1-CE1 2.87Å; T4-F141 WeakPolarHBondContact OG1-CE2 3.42Å; T4-F141 WeakPolarHBondContact OG1-CZ 3.28Å
5Y55.5Low54.4Low79 Ų7945.5 Ų45.531%0.3126%0.255SS..EExtended strand (participates in β ladder)trans-102.8118-177.9-58.8-87.7000108.5V11 I12 F50Y5-V11 WeakPolarHBondContact O-CA 3.08Å; Y5-I12 PolarHBondContact N-O 3.21Å; Y5-I12 PolarHBondContact O-N 3.33Å; Y5-F50 HydrophobicContact CE2-CZ 4.42Å
6D54.1Low54.4Low103 Ų10343.5 Ų43.555%0.55124%0.243SC*.EExtended strand (participates in β ladder)trans-83.3110.2165.6179.7-3.3000107.8G8 G9D6-G8 PolarHBondContact OD1-N 3.32Å; D6-G8 VanDerWaalsContact OD1-N 3.12Å; D6-G9 PolarHBondContact OD1-N 3.09Å
7L51.4Low54.1Low57 Ų5747.1 Ų47.130%0.29827%0.272SS..EExtended strand (participates in β ladder)trans-100.246.5179.9-68.4177.5000111.6C10 I12 F50L7-C10 PolarHBondContact N-O 3.17Å; L7-I12 HydrophobicContact CD1-CD1 3.53Å; L7-I12 HydrophobicContact CD1-CG1 4.14Å; L7-F50 HydrophobicContact CD2-CD1 4.49Å
8G51.4Low53.8Low59 Ų5947.8 Ų47.861%0.60828%0.277SS*.THydrogen-bonded Turntrans65.650.1177.800000111.1D6D6-G8 PolarHBondContact OD1-N 3.32Å; D6-G8 VanDerWaalsContact OD1-N 3.12Å
9G55.4Low53.6Low7 Ų746.3 Ų46.37%0.07227%0.267CS..THydrogen-bonded Turntrans124.7-45179.700000112D6 C143 N144D6-G9 PolarHBondContact OD1-N 3.09Å; G9-C143 WeakPolarHBondContact O-CA 3.42Å; G9-C143 WeakPolarHBondContact O-CB 3.48Å; G9-C143 PolarHBondContact O-SG 3Å; G9-N144 WeakPolarHBondContact CA-O 3.4Å
10C57.2Low53.5Low0 Ų048.9 Ų48.90%029%0.294CS..EExtended strand (participates in β ladder)trans-91.5131.7-179.6176.50000112.7L7 V80 F83 L122L7-C10 PolarHBondContact N-O 3.17Å; C10-V80 HydrophobicContact CB-CG1 4.4Å; C10-F83 HydrophobicContact CB-CE2 3.94Å; C10-F83 HydrophobicContact CB-CZ 4.37Å; C10-F83 WeakPolarHBondContact SG-CE2 3.48Å; C10-L122 PolarHBondContact SG-O 3.33Å
11V63.2Low53.9Low2 Ų247.8 Ų47.81%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-98.6119.4170.5-176.80000110.2T4 Y5 A121 L122 V127 F141T4-V11 HydrophobicContact CG2-CG1 4.48Å; Y5-V11 WeakPolarHBondContact O-CA 3.08Å; V11-A121 WeakPolarHBondContact O-CA 3.3Å; V11-L122 HydrophobicContact CB-CB 3.96Å; V11-L122 HydrophobicContact CB-CD2 4.21Å; V11-L122 HydrophobicContact CG2-CD2 4.1Å; V11-L122 PolarHBondContact O-N 3.04Å; V11-V127 HydrophobicContact CG1-CG2 4.44Å; V11-F141 HydrophobicContact CG1-CB 4.37Å; V11-F141 HydrophobicContact CG2-CB 4.1Å
12I64.4Low55.6Low6 Ų636.8 Ų36.83%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-94.6123.9171.6-58.5-178000110Y5 L7 F54 W119Y5-I12 PolarHBondContact N-O 3.21Å; Y5-I12 PolarHBondContact O-N 3.33Å; L7-I12 HydrophobicContact CD1-CD1 3.53Å; L7-I12 HydrophobicContact CD1-CG1 4.14Å; I12-F54 HydrophobicContact CD1-CE1 4.02Å; I12-F54 HydrophobicContact CD1-CZ 3.97Å; I12-W119 HydrophobicContact CG2-CE3 3.74Å; I12-W119 HydrophobicContact CG2-CZ3 3.9Å
13C63Low57Low4 Ų439.2 Ų39.23%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-108.8107.6175.2-610000110.5L24 F110 Y120C13-L24 HydrophobicContact CB-CD2 3.82Å; C13-L24 WeakPolarHBondContact SG-CD2 3.14Å; C13-F110 HydrophobicContact CB-CE2 4.13Å; C13-Y120 PolarHBondContact N-O 3.23Å; C13-Y120 PolarHBondContact O-N 3.5Å
14P60.9Low58.1Low2 Ų238.2 Ų38.21%0.01324%0.235CC..  trans-69.7161.2173.129.4-33.5000111.4S3 L16 W119S3-P14 WeakPolarHBondContact O-CD 3.22Å; S3-P14 WeakPolarHBondContact O-CG 3.04Å; P14-L16 PolarHBondContact O-N 3.38Å; P14-W119 HydrophobicContact CB-CD2 4.47Å; P14-W119 HydrophobicContact CB-CE3 4.15Å; P14-W119 HydrophobicContact CB-CH2 3.76Å; P14-W119 HydrophobicContact CB-CZ2 4.11Å; P14-W119 HydrophobicContact CB-CZ3 3.78Å
15P57.2Low59.3Low9 Ų939.9 Ų39.96%0.05824%0.239CC..  trans-55.8124.6175.219.1-29.7000110.4S17 S116 W119P15-S17 PolarHBondContact O-N 3.49Å; P15-S116 WeakPolarHBondContact CB-O 3.24Å; P15-W119 VanDerWaalsContact CD-CD1 3.45Å
16L53.1Low60.4Low13 Ų1336.3 Ų36.37%0.06823%0.226CC..G310 helixtrans-68.315-164.8-107.293.9000116.3P14 T18 F19 L24 F110P14-L16 PolarHBondContact O-N 3.38Å; L16-T18 PolarHBondContact O-N 2.85Å; L16-F19 HydrophobicContact CB-CD2 4.06Å; L16-F19 HydrophobicContact CB-CE2 4.49Å; L16-F19 HydrophobicContact CD1-CD2 4.44Å; L16-F19 HydrophobicContact CD1-CE2 4.17Å; L16-F19 HydrophobicContact CD2-CB 4.28Å; L16-F19 HydrophobicContact CD2-CD2 3.73Å; L16-F19 HydrophobicContact CD2-CE2 4.19Å; L16-F19 HydrophobicContact CD2-CG 4.02Å; L16-F19 HydrophobicContact CG-CD2 3.42Å; L16-F19 VanDerWaalsContact CG-CD2 3.42Å; L16-F19 HydrophobicContact CG-CE2 3.62Å; L16-F19 HydrophobicContact CG-CG 4.22Å; L16-F19 PolarHBondContact O-N 3.36Å; L16-L24 HydrophobicContact CD1-CB 4.35Å; L16-F110 HydrophobicContact CB-CB 3.83Å; L16-F110 HydrophobicContact CB-CD1 3.76Å; L16-F110 HydrophobicContact CB-CE1 4.46Å; L16-F110 HydrophobicContact CB-CG 3.93Å; L16-F110 HydrophobicContact CD1-CB 3.27Å; L16-F110 HydrophobicContact CD1-CD1 3.72Å; L16-F110 HydrophobicContact CD1-CD2 3.21Å; L16-F110 HydrophobicContact CD1-CE1 4.25Å; L16-F110 HydrophobicContact CD1-CE2 3.79Å; L16-F110 HydrophobicContact CD1-CG 3.13Å; L16-F110 HydrophobicContact CD1-CZ 4.25Å; L16-F110 HydrophobicContact CD2-CB 3.89Å; L16-F110 HydrophobicContact CG-CB 3.77Å; L16-F110 HydrophobicContact CG-CD1 4.29Å; L16-F110 HydrophobicContact CG-CD2 4.46Å; L16-F110 HydrophobicContact CG-CG 3.97Å
17S50.1Low61.4Low104 Ų10433 Ų3373%0.72721%0.213SC*.G310 helixtrans-60-16175.559.90000113.3P15P15-S17 PolarHBondContact O-N 3.49Å
18T48.2Very low62.7Low61 Ų6132.6 Ų32.637%0.37421%0.211SC..G310 helixtrans-88-7.2-178.841.70000115.9L16 W41L16-T18 PolarHBondContact O-N 2.85Å; T18-W41 HydrophobicContact CG2-CH2 4.5Å; T18-W41 HydrophobicContact CG2-CZ2 3.41Å; T18-W41 VanDerWaalsContact CG2-CZ2 3.41Å
19F49.9Very low64Low19 Ų1931.9 Ų31.98%0.08319%0.191CC..  trans-98.5135.6-174.4-64.5-99.3000112.4L2 L16 A21 H112 L129L2-F19 HydrophobicContact CB-CE1 3.96Å; L2-F19 HydrophobicContact CD2-CD1 3.45Å; L2-F19 VanDerWaalsContact CD2-CD1 3.45Å; L2-F19 HydrophobicContact CD2-CE1 3.37Å; L2-F19 HydrophobicContact CG-CE1 4.26Å; L16-F19 HydrophobicContact CB-CD2 4.06Å; L16-F19 HydrophobicContact CB-CE2 4.49Å; L16-F19 HydrophobicContact CD1-CD2 4.44Å; L16-F19 HydrophobicContact CD1-CE2 4.17Å; L16-F19 HydrophobicContact CD2-CB 4.28Å; L16-F19 HydrophobicContact CD2-CD2 3.73Å; L16-F19 HydrophobicContact CD2-CE2 4.19Å; L16-F19 HydrophobicContact CD2-CG 4.02Å; L16-F19 HydrophobicContact CG-CD2 3.42Å; L16-F19 VanDerWaalsContact CG-CD2 3.42Å; L16-F19 HydrophobicContact CG-CE2 3.62Å; L16-F19 HydrophobicContact CG-CG 4.22Å; L16-F19 PolarHBondContact O-N 3.36Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.11Å; F19-H112 PolarHBondContact O-CE1 3.47Å; F19-H112 VanDerWaalsContact O-CE1 3.32Å; F19-H112 PolarHBondContact O-ND1 3.21Å; F19-L129 HydrophobicContact CE1-CD2 4.06Å
20A52.5Low64.9Low97 Ų9731.6 Ų31.680%0.80219%0.188SC*.SBendtrans-62.6-32.7179.500000113.3H112A20-H112 PolarHBondContact O-CE1 3.28Å; A20-H112 PolarHBondContact O-ND1 3.41Å
21A62.5Low65.4Low26 Ų2632.3 Ų32.322%0.21519%0.191CC..SBendtrans-173.3140.4167.800000110.2F19 A131 V132F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.11Å; A21-A131 WeakPolarHBondContact O-CA 3.45Å; A21-V132 HydrophobicContact CB-CB 3.75Å; A21-V132 HydrophobicContact CB-CG2 4.4Å; A21-V132 PolarHBondContact O-N 3.25Å
22G68.5Low65.7Low8 Ų833.8 Ų33.88%0.08220%0.198CC..EExtended strand (participates in β ladder)trans166.1174.1172.500000117.4H112 Y130G22-H112 WeakPolarHBondContact O-CB 3.25Å; G22-H112 PolarHBondContact O-N 3.19Å; G22-Y130 CarbonylContact C-O 3.34Å; G22-Y130 WeakPolarHBondContact CA-O 3.46Å
23R73.5Confident65.7Low125 Ų12533.8 Ų33.847%0.47220%0.198SC..EExtended strand (participates in β ladder)trans-130.7135.3173.1-67.3-178.6-176.4175.54110.7Y25 V108 F110 C111 Y130R23-Y25 HydrophobicContact CB-CD2 4.17Å; R23-Y25 HydrophobicContact CB-CE2 3.54Å; R23-Y25 VanDerWaalsContact CD-OH 3.23Å; R23-Y25 WeakPolarHBondContact CD-OH 3.2Å; R23-Y25 HydrophobicContact CG-CE2 4.46Å; R23-Y25 PolarHBondContact NH1-OH 3.04Å; R23-V108 HydrophobicContact CB-CG1 4.48Å; R23-F110 CarbonylContact C-O 3.49Å; R23-F110 VanDerWaalsContact CA-O 3.22Å; R23-F110 WeakPolarHBondContact CA-O 3.27Å; R23-C111 HydrophobicContact CG-CB 4.45Å; R23-Y130 PolarHBondContact N-O 2.76Å; R23-Y130 PolarHBondContact O-N 2.97Å
24L75.2Confident65.3Low2 Ų236.6 Ų36.61%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-102.9120170.2-17474000109C13 L16 V108 L109 F110 V127 D128 L129C13-L24 HydrophobicContact CB-CD2 3.82Å; C13-L24 WeakPolarHBondContact SG-CD2 3.14Å; L16-L24 HydrophobicContact CD1-CB 4.35Å; L24-V108 WeakPolarHBondContact O-CA 2.94Å; L24-L109 HydrophobicContact CD2-CB 4.41Å; L24-L109 HydrophobicContact CD2-CD1 4.24Å; L24-L109 PolarHBondContact O-N 3.32Å; L24-F110 HydrophobicContact CB-CB 4.11Å; L24-F110 HydrophobicContact CB-CD2 4Å; L24-F110 HydrophobicContact CD2-CD2 3.62Å; L24-F110 HydrophobicContact CD2-CE2 3.97Å; L24-F110 HydrophobicContact CG-CD2 4.45Å; L24-F110 PolarHBondContact N-O 2.82Å; L24-V127 HydrophobicContact CD1-CB 4.06Å; L24-V127 HydrophobicContact CD1-CG2 4.1Å; L24-D128 WeakPolarHBondContact CA-O 3.19Å; L24-L129 HydrophobicContact CB-CD1 4.44Å; L24-L129 HydrophobicContact CD1-CB 4.13Å; L24-L129 HydrophobicContact CD1-CD1 4.28Å
25Y78.4Confident64.8Low54 Ų5442.1 Ų42.121%0.21224%0.242CC..EExtended strand (participates in β ladder)trans-105.4142.3173.1-62.5-102.6000109.8R23 G106 I107 V108 V127 D128 Y130R23-Y25 HydrophobicContact CB-CD2 4.17Å; R23-Y25 HydrophobicContact CB-CE2 3.54Å; R23-Y25 VanDerWaalsContact CD-OH 3.23Å; R23-Y25 WeakPolarHBondContact CD-OH 3.2Å; R23-Y25 HydrophobicContact CG-CE2 4.46Å; R23-Y25 PolarHBondContact NH1-OH 3.04Å; Y25-G106 WeakPolarHBondContact CD1-O 3.34Å; Y25-I107 CarbonylContact C-O 3.55Å; Y25-I107 VanDerWaalsContact CA-O 3.24Å; Y25-I107 WeakPolarHBondContact CA-O 3.31Å; Y25-V108 HydrophobicContact CD1-CG2 3.53Å; Y25-V108 HydrophobicContact CE1-CB 4.48Å; Y25-V108 HydrophobicContact CE1-CG2 3.14Å; Y25-V108 HydrophobicContact CE2-CG2 4.42Å; Y25-V108 HydrophobicContact CG-CG2 4.32Å; Y25-V127 CarbonylContact O-C 3.5Å; Y25-V127 WeakPolarHBondContact O-CA 3.5Å; Y25-V127 WeakPolarHBondContact O-CB 3.47Å; Y25-D128 PolarHBondContact N-O 2.94Å; Y25-D128 PolarHBondContact O-N 2.88Å; Y25-Y130 AromaticContact CD2-CD2 3.36Å; Y25-Y130 HydrophobicContact CD2-CD2 3.36Å; Y25-Y130 AromaticContact CD2-CE2 3.42Å; Y25-Y130 HydrophobicContact CD2-CE2 3.42Å; Y25-Y130 VanDerWaalsContact CD2-CE2 3.42Å; Y25-Y130 AromaticContact CE2-CD2 3.34Å; Y25-Y130 HydrophobicContact CE2-CD2 3.34Å; Y25-Y130 AromaticContact CE2-CE2 3.6Å; Y25-Y130 HydrophobicContact CE2-CE2 3.6Å; Y25-Y130 HydrophobicContact CE2-CG 4.29Å; Y25-Y130 HydrophobicContact CG-CE2 4.3Å
26V78.5Confident64.6Low4 Ų442.8 Ų42.82%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-122.6154.5176.2-177.70000109.7L30 L103 E104 G106 I107 L109 L122 V127V26-L30 HydrophobicContact CB-CD2 4.45Å; V26-L30 HydrophobicContact CG1-CD2 3.97Å; V26-L103 HydrophobicContact CB-CD1 4.34Å; V26-E104 VanDerWaalsContact O-O 3.05Å; V26-G106 PolarHBondContact O-N 2.85Å; V26-G106 VanDerWaalsContact O-N 3.17Å; V26-I107 PolarHBondContact N-O 3.22Å; V26-I107 PolarHBondContact O-N 3.5Å; V26-L109 HydrophobicContact CB-CD1 4.12Å; V26-L109 HydrophobicContact CB-CG 4.27Å; V26-L109 HydrophobicContact CG2-CB 4.48Å; V26-L109 HydrophobicContact CG2-CD1 3.13Å; V26-L109 HydrophobicContact CG2-CG 3.57Å; V26-L122 HydrophobicContact CG1-CD1 3.98Å; V26-V127 HydrophobicContact CB-CG1 3.97Å; V26-V127 HydrophobicContact CG1-CG1 3.86Å; V26-V127 HydrophobicContact CG2-CB 4.18Å; V26-V127 HydrophobicContact CG2-CG1 3.41Å; V26-V127 VanDerWaalsContact CG2-CG1 3.41Å
27A74.6Confident64.2Low33 Ų3345.2 Ų45.227%0.27326%0.259SS..  trans-127.5-1.1-176.300000116.4L103 S126A27-L103 CarbonylContact C-O 3.48Å; A27-S126 PolarHBondContact N-O 3.32Å
28D80Confident64.2Low49 Ų4945.9 Ų45.926%0.26226%0.255SS..SBendtrans-154.5-151.2-168.6-154.7-17.3000110.9L103 E124 G125D28-L103 PolarHBondContact N-O 3.07Å; D28-L103 PolarHBondContact O-N 2.88Å; D28-E124 WeakPolarHBondContact CB-O 3.18Å; D28-G125 VanDerWaalsContact OD2-CA 3.26Å; D28-G125 WeakPolarHBondContact OD2-CA 3.03Å; D28-G125 PolarHBondContact OD2-N 2.72Å
29K77.2Confident64.1Low44 Ų4449.9 Ų49.919%0.19127%0.269CS..EExtended strand (participates in β ladder)trans-75.8133.9-174.6-63166-178.4172.90113.9Y100 E102 L123 E124K29-Y100 HydrophobicContact CB-CE2 4.06Å; K29-Y100 HydrophobicContact CD-CE2 4.31Å; K29-Y100 WeakPolarHBondContact CD-OH 3.4Å; K29-Y100 WeakPolarHBondContact CE-OH 3.47Å; K29-Y100 HydrophobicContact CG-CE2 4.24Å; K29-Y100 VanDerWaalsContact CG-OH 3.23Å; K29-Y100 WeakPolarHBondContact CG-OH 3.23Å; K29-E102 HydrophobicContact CG-CG 4.14Å; K29-L123 HydrophobicContact CB-CB 4.31Å; K29-L123 PolarHBondContact O-N 2.77Å; K29-E124 HydrophobicContact CB-CB 4.09Å; K29-E124 HydrophobicContact CD-CB 4Å; K29-E124 VanDerWaalsContact CD-OE2 3.24Å; K29-E124 WeakPolarHBondContact CD-OE2 3.43Å; K29-E124 WeakPolarHBondContact CE-OE2 3.48Å; K29-E124 HydrophobicContact CG-CB 4.46Å; K29-E124 IonicContact NZ-OE2 3.87Å; K29-E124 PolarHBondContact NZ-OE2 3.05Å; K29-E124 PolarHBondContact O-N 2.64Å
30L74Confident64Low2 Ų249.7 Ų49.71%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-139.4161.4173.964.678.4000112.4V26 F32 Y100 E101 L103 L109 Y120 A121V26-L30 HydrophobicContact CB-CD2 4.45Å; V26-L30 HydrophobicContact CG1-CD2 3.97Å; L30-F32 HydrophobicContact CD1-CB 4.27Å; L30-F32 HydrophobicContact CD1-CD1 4.04Å; L30-Y100 WeakPolarHBondContact O-CA 3.15Å; L30-E101 HydrophobicContact CD1-CB 3.94Å; L30-E101 HydrophobicContact CG-CB 4.45Å; L30-E101 PolarHBondContact N-O 3.12Å; L30-E101 PolarHBondContact O-N 3.32Å; L30-L103 HydrophobicContact CD2-CD1 3.26Å; L30-L103 HydrophobicContact CD2-CG 3.72Å; L30-L103 HydrophobicContact CG-CD1 4.2Å; L30-L103 HydrophobicContact CG-CG 4.17Å; L30-L109 HydrophobicContact CD2-CD1 3.72Å; L30-L109 HydrophobicContact CD2-CD2 4.1Å; L30-L109 HydrophobicContact CD2-CG 4.39Å; L30-Y120 HydrophobicContact CD1-CD1 3.59Å; L30-Y120 HydrophobicContact CD1-CE1 4.01Å; L30-Y120 HydrophobicContact CD2-CD1 3.68Å; L30-Y120 HydrophobicContact CD2-CE1 4.2Å; L30-Y120 HydrophobicContact CG-CD1 4.19Å; L30-A121 WeakPolarHBondContact CA-O 3.28Å
31I68.7Low63.8Low14 Ų1449 Ų497%0.07225%0.246CC..EExtended strand (participates in β ladder)trans-116.8133163.1-70.2178.7000108.3V73 I77 A99 Y100 Y120 A121 L123I31-V73 HydrophobicContact CD1-CG1 4.11Å; I31-I77 HydrophobicContact CD1-CB 4.31Å; I31-I77 HydrophobicContact CD1-CD1 3.74Å; I31-I77 HydrophobicContact CD1-CG1 3.03Å; I31-A99 CarbonylContact C-O 3.59Å; I31-A99 VanDerWaalsContact CA-O 3.28Å; I31-A99 WeakPolarHBondContact CA-O 3.22Å; I31-Y100 HydrophobicContact CD1-CD2 4.44Å; I31-Y100 HydrophobicContact CG1-CD2 4.01Å; I31-Y120 CarbonylContact O-C 3.52Å; I31-Y120 WeakPolarHBondContact O-CA 3.14Å; I31-A121 PolarHBondContact N-O 3.42Å; I31-A121 PolarHBondContact O-N 2.8Å; I31-L123 HydrophobicContact CD1-CD1 3.43Å; I31-L123 VanDerWaalsContact CD1-CD1 3.43Å; I31-L123 HydrophobicContact CD1-CD2 4.23Å; I31-L123 HydrophobicContact CD1-CG 4.11Å; I31-L123 HydrophobicContact CG1-CD1 3.62Å; I31-L123 HydrophobicContact CG1-CD2 4.45Å; I31-L123 HydrophobicContact CG1-CG 4Å
32F70.5Confident63Low33 Ų3351 Ų5115%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-120.8147.5168.680.6-84.5000110.6L30 G98 A99 E101 N118 W119 Y120L30-F32 HydrophobicContact CD1-CB 4.27Å; L30-F32 HydrophobicContact CD1-CD1 4.04Å; F32-G98 CarbonylContact O-C 3.57Å; F32-G98 WeakPolarHBondContact O-CA 3.21Å; F32-A99 HydrophobicContact CD1-CB 3.99Å; F32-A99 HydrophobicContact CE1-CB 3.36Å; F32-A99 HydrophobicContact CE2-CB 4.44Å; F32-A99 HydrophobicContact CZ-CB 3.65Å; F32-A99 PolarHBondContact N-O 2.88Å; F32-A99 PolarHBondContact O-N 2.89Å; F32-E101 HydrophobicContact CD1-CG 4.05Å; F32-E101 HydrophobicContact CE1-CG 3.68Å; F32-E101 WeakPolarHBondContact CE1-OE1 3.18Å; F32-N118 HydrophobicContact CD2-CB 4.08Å; F32-W119 WeakPolarHBondContact CA-O 3.33Å; F32-W119 WeakPolarHBondContact CB-O 3.49Å; F32-Y120 HydrophobicContact CB-CD1 3.45Å; F32-Y120 VanDerWaalsContact CB-CD1 3.45Å; F32-Y120 HydrophobicContact CB-CE1 3.51Å; F32-Y120 HydrophobicContact CB-CG 4.01Å; F32-Y120 HydrophobicContact CD1-CE1 4.28Å; F32-Y120 HydrophobicContact CG-CD1 4.35Å; F32-Y120 AromaticContact CG-CE1 3.96Å; F32-Y120 HydrophobicContact CG-CE1 3.96Å
33N62.7Low61.8Low6 Ų653.4 Ų53.43%0.03227%0.272CS..EExtended strand (participates in β ladder)trans-126.8126.4177.9178.3-31.1000108F35 F36 N97 W119N33-F35 VanDerWaalsContact C-N 3.29Å; N33-F35 WeakPolarHBondContact OD1-CA 3.22Å; N33-F35 WeakPolarHBondContact OD1-CB 3.39Å; N33-F35 PolarHBondContact OD1-N 3.29Å; N33-F36 HydrophobicContact CB-CD2 3.63Å; N33-F36 HydrophobicContact CB-CE2 3.46Å; N33-F36 VanDerWaalsContact CB-CE2 3.46Å; N33-F36 HydrophobicContact CB-CZ 4.45Å; N33-N97 VanDerWaalsContact CG-O 3.24Å; N33-N97 PolarHBondContact OD1-O 2.86Å; N33-W119 PolarHBondContact N-O 2.84Å
34S54.7Low60.6Low64 Ų6448.1 Ų48.145%0.44826%0.255SS..THydrogen-bonded Turntrans-78.1-12.8-176.552.10000113.6
35F51.6Low59.4Low118 Ų11852.7 Ų52.752%0.51828%0.276SS..THydrogen-bonded Turntrans-97.3-4.9-169.3-69.4-79.3000114.7N33 T37 M61 N97N33-F35 VanDerWaalsContact C-N 3.29Å; N33-F35 WeakPolarHBondContact OD1-CA 3.22Å; N33-F35 WeakPolarHBondContact OD1-CB 3.39Å; N33-F35 PolarHBondContact OD1-N 3.29Å; F35-T37 PolarHBondContact O-N 3.12Å; F35-M61 HydrophobicContact CB-CE 3.46Å; F35-M61 VanDerWaalsContact CB-CE 3.46Å; F35-M61 HydrophobicContact CB-SD 4.16Å; F35-N97 HydrophobicContact CD2-CB 4.34Å
36F52.3Low57.7Low23 Ų2356.2 Ų56.210%0.10130%0.299CS..  trans-66.998.3175-71.3-70.4000110.7N33 V40 F54 L58 M61 W119N33-F36 HydrophobicContact CB-CD2 3.63Å; N33-F36 HydrophobicContact CB-CE2 3.46Å; N33-F36 VanDerWaalsContact CB-CE2 3.46Å; N33-F36 HydrophobicContact CB-CZ 4.45Å; F36-V40 HydrophobicContact CD1-CG1 4.2Å; F36-V40 HydrophobicContact CD1-CG2 4.35Å; F36-F54 HydrophobicContact CE1-CE2 4.23Å; F36-F54 HydrophobicContact CE1-CZ 4.28Å; F36-F54 HydrophobicContact CZ-CZ 4.23Å; F36-L58 HydrophobicContact CE1-CD1 3.79Å; F36-L58 HydrophobicContact CE1-CG 4.49Å; F36-L58 HydrophobicContact CZ-CD1 3.54Å; F36-M61 HydrophobicContact CD1-CE 4.28Å; F36-W119 HydrophobicContact CB-CB 4.45Å; F36-W119 HydrophobicContact CB-CD2 4.19Å; F36-W119 HydrophobicContact CB-CG 3.71Å; F36-W119 VanDerWaalsContact CB-NE1 3.28Å; F36-W119 HydrophobicContact CD2-CB 3.52Å; F36-W119 AromaticContact CD2-CD1 3.9Å; F36-W119 HydrophobicContact CD2-CD2 4.35Å; F36-W119 AromaticContact CD2-CG 3.64Å; F36-W119 HydrophobicContact CD2-CG 3.64Å; F36-W119 HydrophobicContact CE2-CB 3.96Å; F36-W119 HydrophobicContact CE2-CG 4.37Å; F36-W119 HydrophobicContact CG-CB 4.25Å; F36-W119 AromaticContact CG-CD1 3.83Å; F36-W119 HydrophobicContact CG-CD2 4.27Å; F36-W119 AromaticContact CG-CG 3.86Å; F36-W119 HydrophobicContact CG-CG 3.86Å
37T45.5Very low55.9Low64 Ų6458.1 Ų58.139%0.39331%0.312SS..  trans-69.9162173.666.10000110.7F35 E39 V40F35-T37 PolarHBondContact O-N 3.12Å; T37-E39 PolarHBondContact O-N 3.1Å; T37-E39 PolarHBondContact OG1-N 3.13Å; T37-E39 PolarHBondContact OG1-OE2 2.92Å; T37-V40 PolarHBondContact O-N 3.17Å
38N49Very low54.6Low118 Ų11862.8 Ų62.863%0.63134%0.339SS*.Hα-helixtrans-56.3-12.6171.8-67.8-47.9000113.5W41N38-W41 WeakPolarHBondContact O-CB 3.4Å; N38-W41 PolarHBondContact O-N 2.93Å
39E45.8Very low52.9Low145 Ų14567.4 Ų67.468%0.67836%0.363SS*.Hα-helixtrans-75-36.3-179.8-66149.1156.300111.8T37 W41 S42T37-E39 PolarHBondContact O-N 3.1Å; T37-E39 PolarHBondContact OG1-N 3.13Å; T37-E39 PolarHBondContact OG1-OE2 2.92Å; E39-W41 PolarHBondContact O-N 2.78Å; E39-S42 PolarHBondContact O-N 2.91Å
40V47.7Very low51.6Low15 Ų1567 Ų679%0.09136%0.361CS..Hα-helixtrans-61.8-32.3174.5-176.90000110.7F36 T37 V43 A44F36-V40 HydrophobicContact CD1-CG1 4.2Å; F36-V40 HydrophobicContact CD1-CG2 4.35Å; T37-V40 PolarHBondContact O-N 3.17Å; V40-V43 PolarHBondContact O-N 2.94Å; V40-A44 WeakPolarHBondContact O-CB 3.2Å; V40-A44 PolarHBondContact O-N 3.01Å
41W48.5Very low50.8Low82 Ų8270.3 Ų70.331%0.31139%0.389SS..Hα-helixtrans-65.5-40.3177.4-17685.6000113.3T18 N38 E39 V43 A44 Q45 W119T18-W41 HydrophobicContact CG2-CH2 4.5Å; T18-W41 HydrophobicContact CG2-CZ2 3.41Å; T18-W41 VanDerWaalsContact CG2-CZ2 3.41Å; N38-W41 WeakPolarHBondContact O-CB 3.4Å; N38-W41 PolarHBondContact O-N 2.93Å; E39-W41 PolarHBondContact O-N 2.78Å; W41-V43 PolarHBondContact O-N 3.38Å; W41-A44 PolarHBondContact O-N 3.32Å; W41-Q45 HydrophobicContact CD2-CG 4.43Å; W41-Q45 WeakPolarHBondContact O-CG 3.31Å; W41-Q45 PolarHBondContact O-N 2.9Å; W41-Q45 VanDerWaalsContact O-N 3.14Å; W41-W119 HydrophobicContact CB-CZ2 4.27Å
42S46.7Very low50Low68 Ų6878.1 Ų78.148%0.47642%0.418SS..Hα-helixtrans-62.1-33.5178.1-174.60000112.3E39 N46E39-S42 PolarHBondContact O-N 2.91Å; S42-N46 PolarHBondContact O-ND2 3.02Å
43V43.5Very low49.4Very low59 Ų5980 Ų8036%0.35843%0.429SS..Hα-helixtrans-78-43.6177.9-176.40000111V40 W41 Q45 N46V40-V43 PolarHBondContact O-N 2.94Å; W41-V43 PolarHBondContact O-N 3.38Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 2.85Å; V43-N46 PolarHBondContact O-N 2.89Å
44A47.4Very low49.2Very low14 Ų1480.9 Ų80.912%0.11643%0.433CS..Hα-helixtrans-57.1-39.4178.200000112.7V40 W41 N46 F50V40-A44 WeakPolarHBondContact O-CB 3.2Å; V40-A44 PolarHBondContact O-N 3.01Å; W41-A44 PolarHBondContact O-N 3.32Å; A44-N46 PolarHBondContact O-N 3.32Å; A44-F50 HydrophobicContact CB-CE2 3.6Å; A44-F50 HydrophobicContact CB-CZ 3.7Å; A44-F50 VanDerWaalsContact O-CE2 3.28Å; A44-F50 WeakPolarHBondContact O-CE2 3.45Å
45Q49.8Very low49.4Very low98 Ų9879.2 Ų79.246%0.45842%0.418SS..THydrogen-bonded Turntrans-69.5-17.2-177.6-71.9-169-23.900115.3W41 V43W41-Q45 HydrophobicContact CD2-CG 4.43Å; W41-Q45 WeakPolarHBondContact O-CG 3.31Å; W41-Q45 PolarHBondContact O-N 2.9Å; W41-Q45 VanDerWaalsContact O-N 3.14Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 2.85Å
46N43.8Very low49.8Very low128 Ų12877.9 Ų77.968%0.68441%0.414SS*.THydrogen-bonded Turntrans-109.74.3-170.7-73.5-58000114.6S42 V43 A44S42-N46 PolarHBondContact O-ND2 3.02Å; V43-N46 PolarHBondContact O-N 2.89Å; A44-N46 PolarHBondContact O-N 3.32Å
47C40.7Very low50Low44 Ų4479.3 Ų79.330%0.29742%0.423SS..  trans-115.4115.4-175.5-77.30000113.3L49C47-L49 PolarHBondContact O-N 3.39Å
48P47.7Very low50.4Low130 Ų13076.5 Ų76.584%0.84441%0.405SS*.SBendtrans-74.41.417527-31.5000115
49L43.5Very low50.7Low146 Ų14672 Ų7276%0.76438%0.383SS*.  trans-12961.2-176.9-66.9171.4000110.8C47 A51C47-L49 PolarHBondContact O-N 3.39Å; L49-A51 PolarHBondContact O-N 3.43Å
50F50.6Low51.2Low36 Ų3669.8 Ų69.816%0.15838%0.375CS..THydrogen-bonded Turntrans-60.69.7-164.8-148.8-97000117.7Y5 L7 A44 F54Y5-F50 HydrophobicContact CE2-CZ 4.42Å; L7-F50 HydrophobicContact CD2-CD1 4.49Å; A44-F50 HydrophobicContact CB-CE2 3.6Å; A44-F50 HydrophobicContact CB-CZ 3.7Å; A44-F50 VanDerWaalsContact O-CE2 3.28Å; A44-F50 WeakPolarHBondContact O-CE2 3.45Å; F50-F54 HydrophobicContact CD1-CB 4.49Å; F50-F54 HydrophobicContact CE1-CB 4.33Å; F50-F54 HydrophobicContact CE1-CD2 4.3Å; F50-F54 HydrophobicContact CE1-CG 4.25Å
51A56.9Low51.5Low72 Ų7271.6 Ų71.660%0.59538%0.384SS*.THydrogen-bonded Turntrans-87-44.4-174.700000114L49 L55L49-A51 PolarHBondContact O-N 3.43Å; A51-L55 WeakPolarHBondContact O-CD1 3.38Å; A51-L55 WeakPolarHBondContact O-CG 3.26Å
52W52.4Low51.7Low178 Ų17867.7 Ų67.767%0.67437%0.369SS*.Hα-helixtrans-98.1-43.9-166.6-161.1-102.1000114.5F54 L55 Q56W52-F54 VanDerWaalsContact C-N 3.33Å; W52-F54 PolarHBondContact O-N 2.9Å; W52-L55 HydrophobicContact CE3-CD1 4.5Å; W52-L55 CarbonylContact O-C 3.57Å; W52-L55 WeakPolarHBondContact O-CB 3.43Å; W52-L55 PolarHBondContact O-N 3.25Å; W52-Q56 WeakPolarHBondContact O-CB 3.24Å; W52-Q56 PolarHBondContact O-N 2.97Å
53D56.8Low52.1Low73 Ų7370.9 Ų70.939%0.3938%0.376SS..Hα-helixtrans-68.9-33.7-175.8-63-28.9000112.5Q56 N57D53-Q56 PolarHBondContact O-N 3.42Å; D53-N57 WeakPolarHBondContact O-CB 3.13Å; D53-N57 PolarHBondContact O-N 3.23Å
54F59.6Low52.4Low24 Ų2474.7 Ų74.711%0.10539%0.394CS..Hα-helixtrans-61.2-50.9171.8172.7-100.2000110.3I12 F36 F50 W52 Q56 N57 L58I12-F54 HydrophobicContact CD1-CE1 4.02Å; I12-F54 HydrophobicContact CD1-CZ 3.97Å; F36-F54 HydrophobicContact CE1-CE2 4.23Å; F36-F54 HydrophobicContact CE1-CZ 4.28Å; F36-F54 HydrophobicContact CZ-CZ 4.23Å; F50-F54 HydrophobicContact CD1-CB 4.49Å; F50-F54 HydrophobicContact CE1-CB 4.33Å; F50-F54 HydrophobicContact CE1-CD2 4.3Å; F50-F54 HydrophobicContact CE1-CG 4.25Å; W52-F54 VanDerWaalsContact C-N 3.33Å; W52-F54 PolarHBondContact O-N 2.9Å; F54-Q56 VanDerWaalsContact C-N 3.29Å; F54-Q56 PolarHBondContact O-N 3.49Å; F54-N57 PolarHBondContact O-N 3.26Å; F54-L58 HydrophobicContact CE1-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD1 3.87Å; F54-L58 WeakPolarHBondContact O-CB 3.33Å; F54-L58 PolarHBondContact O-N 2.91Å
55L57.5Low52.4Low28 Ų2876.6 Ų76.615%0.14741%0.407CS..Hα-helixtrans-58.9-42.8175.4-69.1175.8000110.7A51 W52 L58 C59 L86A51-L55 WeakPolarHBondContact O-CD1 3.38Å; A51-L55 WeakPolarHBondContact O-CG 3.26Å; W52-L55 HydrophobicContact CE3-CD1 4.5Å; W52-L55 CarbonylContact O-C 3.57Å; W52-L55 WeakPolarHBondContact O-CB 3.43Å; W52-L55 PolarHBondContact O-N 3.25Å; L55-L58 CarbonylContact O-C 3.59Å; L55-L58 WeakPolarHBondContact O-CA 3.29Å; L55-L58 VanDerWaalsContact O-CB 3.31Å; L55-L58 WeakPolarHBondContact O-CB 3.18Å; L55-L58 PolarHBondContact O-N 3.18Å; L55-C59 PolarHBondContact O-N 3.25Å; L55-C59 PolarHBondContact O-SG 3.21Å; L55-L86 HydrophobicContact CD1-CD2 3.43Å; L55-L86 VanDerWaalsContact CD1-CD2 3.43Å; L55-L86 HydrophobicContact CD2-CD1 3.91Å; L55-L86 HydrophobicContact CD2-CD2 3.61Å; L55-L86 HydrophobicContact CD2-CG 4.42Å; L55-L86 HydrophobicContact CG-CD2 4.12Å
56Q60.5Low52.5Low91 Ų9177.1 Ų77.143%0.42542%0.421SS..Hα-helixtrans-68.6-39.8-177.2-172.1160.70.100113.4W52 D53 F54 L58 C59 N60W52-Q56 WeakPolarHBondContact O-CB 3.24Å; W52-Q56 PolarHBondContact O-N 2.97Å; D53-Q56 PolarHBondContact O-N 3.42Å; F54-Q56 VanDerWaalsContact C-N 3.29Å; F54-Q56 PolarHBondContact O-N 3.49Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-C59 WeakPolarHBondContact O-CB 3.37Å; Q56-C59 PolarHBondContact O-N 3.17Å; Q56-N60 VanDerWaalsContact O-CG 3.28Å; Q56-N60 PolarHBondContact O-N 3.14Å; Q56-N60 PolarHBondContact O-ND2 3.04Å
57N55.4Low53.1Low52 Ų5274 Ų7428%0.27841%0.405SS..Hα-helixtrans-64.7-40.7171.3-87.7-21.6000111.5D53 F54 N60 M61D53-N57 WeakPolarHBondContact O-CB 3.13Å; D53-N57 PolarHBondContact O-N 3.23Å; F54-N57 PolarHBondContact O-N 3.26Å; N57-N60 PolarHBondContact O-N 3.35Å; N57-M61 PolarHBondContact O-N 3Å; N57-M61 VanDerWaalsContact O-N 3.09Å
58L55Low53.8Low6 Ų676.1 Ų76.13%0.03143%0.425CS..Hα-helixtrans-59.2-50.6172.8-178.3142000109.4F36 F54 L55 Q56 N60 M61 L62 L94F36-L58 HydrophobicContact CE1-CD1 3.79Å; F36-L58 HydrophobicContact CE1-CG 4.49Å; F36-L58 HydrophobicContact CZ-CD1 3.54Å; F54-L58 HydrophobicContact CE1-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD1 3.87Å; F54-L58 WeakPolarHBondContact O-CB 3.33Å; F54-L58 PolarHBondContact O-N 2.91Å; L55-L58 CarbonylContact O-C 3.59Å; L55-L58 WeakPolarHBondContact O-CA 3.29Å; L55-L58 VanDerWaalsContact O-CB 3.31Å; L55-L58 WeakPolarHBondContact O-CB 3.18Å; L55-L58 PolarHBondContact O-N 3.18Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 2.97Å; L58-M61 PolarHBondContact O-N 2.78Å; L58-M61 VanDerWaalsContact O-N 3.14Å; L58-L62 HydrophobicContact CD2-CD1 3.32Å; L58-L62 HydrophobicContact CD2-CG 4.38Å; L58-L62 HydrophobicContact CG-CD1 3.73Å; L58-L62 HydrophobicContact CG-CG 4.33Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 WeakPolarHBondContact O-CD1 3.04Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.44Å; L58-L62 VanDerWaalsContact O-N 3.13Å; L58-L94 HydrophobicContact CD1-CD2 3.65Å; L58-L94 HydrophobicContact CD2-CD1 4.26Å; L58-L94 HydrophobicContact CD2-CD2 3.58Å; L58-L94 HydrophobicContact CD2-CG 3.82Å; L58-L94 HydrophobicContact CG-CD2 3.94Å
59C55.8Low54.8Low24 Ų2478 Ų7816%0.16242%0.423CS..Hα-helixtrans-51.6-47.3174-55.70000112.9L55 Q56 M61 L62 Q63 L90L55-C59 PolarHBondContact O-N 3.25Å; L55-C59 PolarHBondContact O-SG 3.21Å; Q56-C59 WeakPolarHBondContact O-CB 3.37Å; Q56-C59 PolarHBondContact O-N 3.17Å; C59-M61 VanDerWaalsContact C-N 3.33Å; C59-M61 PolarHBondContact O-N 3.31Å; C59-L62 PolarHBondContact O-N 3.48Å; C59-Q63 WeakPolarHBondContact O-CG 3.39Å; C59-L90 HydrophobicContact CB-CD2 3.86Å; C59-L90 WeakPolarHBondContact SG-CD2 3.45Å
60N56.8Low56.3Low97 Ų9771.7 Ų71.752%0.51939%0.39SS..Hα-helixtrans-65.6-36.2-177.3-71.1-23000112.6Q56 N57 L58 L62Q56-N60 VanDerWaalsContact O-CG 3.28Å; Q56-N60 PolarHBondContact O-N 3.14Å; Q56-N60 PolarHBondContact O-ND2 3.04Å; N57-N60 PolarHBondContact O-N 3.35Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-N60 PolarHBondContact O-N 2.97Å; N60-L62 VanDerWaalsContact C-N 3.31Å
61M52.8Low57.7Low53 Ų5373.7 Ų73.726%0.26141%0.405SS..Hα-helixtrans-74.1-27.2-179.8-161.7-178.179.800112.3F35 F36 N57 L58 C59F35-M61 HydrophobicContact CB-CE 3.46Å; F35-M61 VanDerWaalsContact CB-CE 3.46Å; F35-M61 HydrophobicContact CB-SD 4.16Å; F36-M61 HydrophobicContact CD1-CE 4.28Å; N57-M61 PolarHBondContact O-N 3Å; N57-M61 VanDerWaalsContact O-N 3.09Å; L58-M61 PolarHBondContact O-N 2.78Å; L58-M61 VanDerWaalsContact O-N 3.14Å; C59-M61 VanDerWaalsContact C-N 3.33Å; C59-M61 PolarHBondContact O-N 3.31Å
62L53.1Low58.7Low0 Ų075.3 Ų75.30%040%0.4CS..Hα-helixtrans-84.7-13.2-166.5-82-174.4000115.3L58 C59 N60 N64 D93 L94 N97L58-L62 HydrophobicContact CD2-CD1 3.32Å; L58-L62 HydrophobicContact CD2-CG 4.38Å; L58-L62 HydrophobicContact CG-CD1 3.73Å; L58-L62 HydrophobicContact CG-CG 4.33Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 WeakPolarHBondContact O-CD1 3.04Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.44Å; L58-L62 VanDerWaalsContact O-N 3.13Å; C59-L62 PolarHBondContact O-N 3.48Å; N60-L62 VanDerWaalsContact C-N 3.31Å; L62-N64 PolarHBondContact O-N 3.2Å; L62-D93 HydrophobicContact CB-CB 3.56Å; L62-D93 HydrophobicContact CD1-CB 3.96Å; L62-D93 HydrophobicContact CD2-CB 4.42Å; L62-D93 WeakPolarHBondContact CD2-O 3.09Å; L62-D93 HydrophobicContact CG-CB 4.17Å; L62-L94 HydrophobicContact CD1-CB 4.47Å; L62-L94 HydrophobicContact CD1-CD2 4.11Å; L62-L94 HydrophobicContact CD1-CG 3.9Å; L62-N97 HydrophobicContact CD2-CB 3.39Å; L62-N97 WeakPolarHBondContact CD2-ND2 3.46Å; L62-N97 PolarHBondContact O-ND2 3.41Å
63Q55.6Low59.9Low135 Ų13567.5 Ų67.563%0.63137%0.373SS*.  trans-64.817.3-170.8-65-176.3500117.3C59C59-Q63 WeakPolarHBondContact O-CG 3.39Å
64N48.2Very low61.1Low139 Ų13964.2 Ų64.274%0.74336%0.355SS*.  trans-138.589.5-179.4-65.2-53.6000112.5L62L62-N64 PolarHBondContact O-N 3.2Å
65S47.9Very low62.2Low54 Ų5466.4 Ų66.438%0.37837%0.368SS..  trans-174165.8162.541.70000115.9N67 A96 N97S65-N67 PolarHBondContact O-OD1 2.84Å; S65-A96 WeakPolarHBondContact OG-CB 3.47Å; S65-N97 PolarHBondContact OG-ND2 3.46Å
66S52.7Low63.3Low109 Ų10966.2 Ų66.276%0.76237%0.367SS*.  trans-129.2155.3-170.864.80000112.9
67N56Low64Low64 Ų6462.1 Ų62.134%0.34235%0.347SS..  trans-142.3126.8-141.7-56.184.7000117.9S65 T70 H92S65-N67 PolarHBondContact O-OD1 2.84Å; N67-T70 HydrophobicContact CB-CG2 4.14Å; N67-T70 WeakPolarHBondContact CB-OG1 3.38Å; N67-T70 VanDerWaalsContact CG-OG1 3.29Å; N67-T70 WeakPolarHBondContact ND2-CB 3.36Å; N67-T70 WeakPolarHBondContact ND2-CG2 3.28Å; N67-T70 PolarHBondContact ND2-OG1 3.1Å; N67-H92 PolarHBondContact ND2-CE1 3.36Å; N67-H92 PolarHBondContact ND2-NE2 2.97Å; N67-H92 PolarHBondContact OD1-CE1 3.23Å; N67-H92 PolarHBondContact OD1-NE2 3.46Å
68A55.7Low65.1Low87 Ų8763.8 Ų63.872%0.71935%0.35SS*.SBendtrans-137.4-47.6151.300000111.4T70A68-T70 VanDerWaalsContact C-N 3.26Å; A68-T70 PolarHBondContact O-N 2.92Å
69E68.4Low66.2Low171 Ų17170.2 Ų70.280%0.79938%0.377SS*.THydrogen-bonded Turntrans-66.8-29.6176-67.5-179.2166.600112.8T71 H72 V73E69-T71 PolarHBondContact O-N 3.12Å; E69-H72 PolarHBondContact O-N 3.05Å; E69-H72 VanDerWaalsContact O-N 3.11Å; E69-V73 PolarHBondContact O-N 3.2Å
70T74.7Confident66.8Low12 Ų1269.9 Ų69.97%0.07438%0.375CS..Hα-helixtrans-63.2-25.7-177.269.80000112.7N67 A68 H72 A74 A95 A96N67-T70 HydrophobicContact CB-CG2 4.14Å; N67-T70 WeakPolarHBondContact CB-OG1 3.38Å; N67-T70 VanDerWaalsContact CG-OG1 3.29Å; N67-T70 WeakPolarHBondContact ND2-CB 3.36Å; N67-T70 WeakPolarHBondContact ND2-CG2 3.28Å; N67-T70 PolarHBondContact ND2-OG1 3.1Å; A68-T70 VanDerWaalsContact C-N 3.26Å; A68-T70 PolarHBondContact O-N 2.92Å; T70-H72 VanDerWaalsContact C-N 3.31Å; T70-H72 PolarHBondContact O-N 3.08Å; T70-A74 WeakPolarHBondContact O-CB 3.44Å; T70-A74 PolarHBondContact O-N 3.39Å; T70-A95 WeakPolarHBondContact O-CB 3.35Å; T70-A96 VanDerWaalsContact CG2-CA 3.47Å; T70-A96 HydrophobicContact CG2-CB 3.65Å
71T80.1Confident67.2Low78 Ų7871.4 Ų71.448%0.47938%0.379SS..Hα-helixtrans-67.2-37177.5-55.40000111E69 N75E69-T71 PolarHBondContact O-N 3.12Å; T71-N75 PolarHBondContact O-N 2.96Å; T71-N75 VanDerWaalsContact O-N 3.17Å; T71-N75 PolarHBondContact O-ND2 2.82Å
72H79Confident67.7Low106 Ų10671.5 Ų71.549%0.49138%0.383SS..Hα-helixtrans-68.9-49.2177.1179.755.1000110.8E69 T70 A74 N75 E76E69-H72 PolarHBondContact O-N 3.05Å; E69-H72 VanDerWaalsContact O-N 3.11Å; T70-H72 VanDerWaalsContact C-N 3.31Å; T70-H72 PolarHBondContact O-N 3.08Å; H72-A74 VanDerWaalsContact C-N 3.32Å; H72-A74 PolarHBondContact O-N 2.89Å; H72-N75 WeakPolarHBondContact O-CB 3.3Å; H72-N75 PolarHBondContact O-N 3.21Å; H72-N75 VanDerWaalsContact O-N 3.09Å; H72-E76 IonicContact CE1-OE1 2.67Å; H72-E76 PolarHBondContact O-N 3.44Å; H72-E76 VanDerWaalsContact O-N 3.13Å
73V77.4Confident68.5Low15 Ų1572.3 Ų72.39%0.09139%0.387CS..Hα-helixtrans-58.9-43.2177179.20000111.3I31 E69 N75 E76 I77 A95I31-V73 HydrophobicContact CD1-CG1 4.11Å; E69-V73 PolarHBondContact O-N 3.2Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.78Å; V73-E76 PolarHBondContact O-N 3.34Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.34Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.06Å; V73-I77 PolarHBondContact O-N 3.13Å; V73-A95 HydrophobicContact CB-CB 3.76Å; V73-A95 HydrophobicContact CG1-CB 3.74Å
74A81.2Confident69.3Low3 Ų368.2 Ų68.23%0.02537%0.373CS..Hα-helixtrans-56.3-4217500000112.6T70 H72 R78 I91 A95T70-A74 WeakPolarHBondContact O-CB 3.44Å; T70-A74 PolarHBondContact O-N 3.39Å; H72-A74 VanDerWaalsContact C-N 3.32Å; H72-A74 PolarHBondContact O-N 2.89Å; A74-R78 WeakPolarHBondContact O-CG 3.37Å; A74-R78 PolarHBondContact O-N 3.14Å; A74-R78 VanDerWaalsContact O-N 3.12Å; A74-I91 HydrophobicContact CB-CG2 3.54Å; A74-I91 WeakPolarHBondContact O-CG2 3.39Å; A74-A95 HydrophobicContact CB-CB 3.76Å; A74-A95 VanDerWaalsContact N-CB 3.28Å
75N83.3Confident70.5Confident70 Ų7067.9 Ų67.937%0.37437%0.371SS..Hα-helixtrans-69.1-35.3179.5-71.5-22.8000112.4T71 H72 V73 R78 K79T71-N75 PolarHBondContact O-N 2.96Å; T71-N75 VanDerWaalsContact O-N 3.17Å; T71-N75 PolarHBondContact O-ND2 2.82Å; H72-N75 WeakPolarHBondContact O-CB 3.3Å; H72-N75 PolarHBondContact O-N 3.21Å; H72-N75 VanDerWaalsContact O-N 3.09Å; V73-N75 VanDerWaalsContact C-N 3.29Å; V73-N75 PolarHBondContact O-N 2.78Å; N75-R78 PolarHBondContact OD1-NH1 3.32Å; N75-K79 WeakPolarHBondContact O-CG 3.25Å
76E79.6Confident71.7Confident25 Ų2566.5 Ų66.512%0.11736%0.359CS..Hα-helixtrans-71.7-42.3174.7-62.9-50.2131.200111.7H72 V73 R78 K79 Y100H72-E76 IonicContact CE1-OE1 2.67Å; H72-E76 PolarHBondContact O-N 3.44Å; H72-E76 VanDerWaalsContact O-N 3.13Å; V73-E76 PolarHBondContact O-N 3.34Å; E76-R78 VanDerWaalsContact C-N 3.27Å; E76-R78 PolarHBondContact O-N 3.25Å; E76-K79 PolarHBondContact O-N 2.72Å; E76-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 IonicContact OE1-NZ 2.77Å; E76-K79 PolarHBondContact OE1-NZ 2.86Å; E76-K79 IonicContact OE2-NZ 2.72Å; E76-K79 PolarHBondContact OE2-NZ 3.09Å; E76-Y100 HydrophobicContact CB-CD2 3.92Å; E76-Y100 HydrophobicContact CB-CE2 3.69Å; E76-Y100 HydrophobicContact CG-CD2 4.25Å; E76-Y100 HydrophobicContact CG-CE1 4.39Å; E76-Y100 HydrophobicContact CG-CE2 3.82Å
77I75.1Confident72.8Confident4 Ų463.4 Ų63.42%0.02134%0.344CS..Hα-helixtrans-55.2-44.9175.3-63.9159.9000110.9I31 V73 K79 V80 F83 I91 L94 A95I31-I77 HydrophobicContact CD1-CB 4.31Å; I31-I77 HydrophobicContact CD1-CD1 3.74Å; I31-I77 HydrophobicContact CD1-CG1 3.03Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.34Å; V73-I77 VanDerWaalsContact O-CG1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.06Å; V73-I77 PolarHBondContact O-N 3.13Å; I77-K79 PolarHBondContact O-N 2.91Å; I77-K79 VanDerWaalsContact O-N 3.12Å; I77-V80 PolarHBondContact O-N 3.33Å; I77-V80 VanDerWaalsContact O-N 3.1Å; I77-F83 HydrophobicContact CG2-CB 3.5Å; I77-F83 VanDerWaalsContact CG2-CB 3.5Å; I77-F83 HydrophobicContact CG2-CD1 4.49Å; I77-F83 HydrophobicContact CG2-CD2 4.28Å; I77-F83 HydrophobicContact CG2-CG 3.88Å; I77-F83 WeakPolarHBondContact O-CB 3.15Å; I77-I91 HydrophobicContact CB-CD1 4.26Å; I77-I91 HydrophobicContact CB-CG2 4.45Å; I77-I91 HydrophobicContact CG2-CD1 3.44Å; I77-I91 VanDerWaalsContact CG2-CD1 3.44Å; I77-L94 HydrophobicContact CD1-CB 3.71Å; I77-L94 HydrophobicContact CG2-CD1 4.24Å; I77-A95 HydrophobicContact CD1-CB 3.92Å
78R79.9Confident73.9Confident88 Ų8867.4 Ų67.433%0.33236%0.361SS..THydrogen-bonded Turntrans-61.8-19.9-178.3-80.2175.8-176141.6-4.5114.6A74 N75 E76 V80 C84 I91A74-R78 WeakPolarHBondContact O-CG 3.37Å; A74-R78 PolarHBondContact O-N 3.14Å; A74-R78 VanDerWaalsContact O-N 3.12Å; N75-R78 PolarHBondContact OD1-NH1 3.32Å; E76-R78 VanDerWaalsContact C-N 3.27Å; E76-R78 PolarHBondContact O-N 3.25Å; R78-V80 VanDerWaalsContact C-N 3.27Å; R78-C84 WeakPolarHBondContact O-CA 3.36Å; R78-C84 WeakPolarHBondContact O-CB 3.48Å; R78-I91 HydrophobicContact CG-CB 4.46Å; R78-I91 HydrophobicContact CG-CD1 4.44Å; R78-I91 HydrophobicContact CG-CG1 3.95Å; R78-I91 HydrophobicContact CG-CG2 3.82Å
79K77.7Confident75Confident140 Ų14070.8 Ų70.861%0.60936%0.362SS*.THydrogen-bonded Turntrans-79.5-14.8179.7-64.6174.7-163.2167.40112.5N75 E76 I77N75-K79 WeakPolarHBondContact O-CG 3.25Å; E76-K79 PolarHBondContact O-N 2.72Å; E76-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 IonicContact OE1-NZ 2.77Å; E76-K79 PolarHBondContact OE1-NZ 2.86Å; E76-K79 IonicContact OE2-NZ 2.72Å; E76-K79 PolarHBondContact OE2-NZ 3.09Å; I77-K79 PolarHBondContact O-N 2.91Å; I77-K79 VanDerWaalsContact O-N 3.12Å
80V68Low75.2Confident17 Ų1764.3 Ų64.310%0.10333%0.333CS..SBendtrans-101.5127.6-170.8179.60000109.9C10 I77 R78 F83 C84 L123C10-V80 HydrophobicContact CB-CG1 4.4Å; I77-V80 PolarHBondContact O-N 3.33Å; I77-V80 VanDerWaalsContact O-N 3.1Å; R78-V80 VanDerWaalsContact C-N 3.27Å; V80-F83 HydrophobicContact CB-CD2 3.97Å; V80-F83 HydrophobicContact CG1-CD2 3.79Å; V80-F83 HydrophobicContact CG1-CE2 4.17Å; V80-F83 CarbonylContact O-C 3.15Å; V80-F83 WeakPolarHBondContact O-CA 3.27Å; V80-F83 WeakPolarHBondContact O-CB 3.14Å; V80-F83 PolarHBondContact O-N 2.9Å; V80-C84 PolarHBondContact O-N 2.93Å; V80-L123 HydrophobicContact CB-CD2 4.13Å; V80-L123 HydrophobicContact CG1-CD2 4.02Å; V80-L123 HydrophobicContact CG2-CB 3.78Å; V80-L123 HydrophobicContact CG2-CD1 4.1Å; V80-L123 HydrophobicContact CG2-CD2 3.89Å; V80-L123 HydrophobicContact CG2-CG 4.11Å; V80-L123 WeakPolarHBondContact CG2-O 3.19Å
81E65.8Low75.2Confident130 Ų13063.8 Ų63.861%0.60733%0.329SS*.THydrogen-bonded Turntrans-75.9136.9168.8-73.9-168.9176.700110.1C84E81-C84 VanDerWaalsContact CG-SG 3.6Å
82P61.9Low75.1Confident54 Ų5463 Ų6335%0.35132%0.32SS..THydrogen-bonded Turncis-92.44.84.336.3-34.6000114.3C84 N85P82-C84 PolarHBondContact O-N 2.89Å; P82-N85 WeakPolarHBondContact O-CB 3.48Å; P82-N85 PolarHBondContact O-N 3.49Å
83F70.3Confident74.8Confident17 Ų1759.4 Ų59.48%0.07530%0.304CS..G310 helixtrans-61.6-26.7-175.8-55.1-62.6000113.7C10 I77 V80 N85 L86 I91 A121 L123C10-F83 HydrophobicContact CB-CE2 3.94Å; C10-F83 HydrophobicContact CB-CZ 4.37Å; C10-F83 WeakPolarHBondContact SG-CE2 3.48Å; I77-F83 HydrophobicContact CG2-CB 3.5Å; I77-F83 VanDerWaalsContact CG2-CB 3.5Å; I77-F83 HydrophobicContact CG2-CD1 4.49Å; I77-F83 HydrophobicContact CG2-CD2 4.28Å; I77-F83 HydrophobicContact CG2-CG 3.88Å; I77-F83 WeakPolarHBondContact O-CB 3.15Å; V80-F83 HydrophobicContact CB-CD2 3.97Å; V80-F83 HydrophobicContact CG1-CD2 3.79Å; V80-F83 HydrophobicContact CG1-CE2 4.17Å; V80-F83 CarbonylContact O-C 3.15Å; V80-F83 WeakPolarHBondContact O-CA 3.27Å; V80-F83 WeakPolarHBondContact O-CB 3.14Å; V80-F83 PolarHBondContact O-N 2.9Å; F83-N85 PolarHBondContact O-N 2.95Å; F83-N85 VanDerWaalsContact O-N 3.08Å; F83-L86 HydrophobicContact CB-CD1 4.24Å; F83-L86 HydrophobicContact CD1-CD1 3.77Å; F83-L86 VanDerWaalsContact O-CB 3.3Å; F83-L86 WeakPolarHBondContact O-CB 3Å; F83-L86 WeakPolarHBondContact O-CG 3.21Å; F83-L86 PolarHBondContact O-N 3.33Å; F83-I91 HydrophobicContact CB-CD1 4.4Å; F83-I91 WeakPolarHBondContact O-CD1 3.47Å; F83-A121 HydrophobicContact CZ-CB 4.25Å; F83-L123 HydrophobicContact CD2-CD2 4.08Å; F83-L123 HydrophobicContact CE2-CD2 3.8Å
84C71.6Confident74.6Confident50 Ų5059.4 Ų59.434%0.33830%0.304SS..G310 helixtrans-54.7-24.7172.570.90000114R78 V80 E81 P82R78-C84 WeakPolarHBondContact O-CA 3.36Å; R78-C84 WeakPolarHBondContact O-CB 3.48Å; V80-C84 PolarHBondContact O-N 2.93Å; E81-C84 VanDerWaalsContact CG-SG 3.6Å; P82-C84 PolarHBondContact O-N 2.89Å
85N73.9Confident74.4Confident132 Ų13259.4 Ų59.471%0.70630%0.304SS*.G310 helixtrans-87.1-5.3178.8-63.7-54.9000113.3P82 F83P82-N85 WeakPolarHBondContact O-CB 3.48Å; P82-N85 PolarHBondContact O-N 3.49Å; F83-N85 PolarHBondContact O-N 2.95Å; F83-N85 VanDerWaalsContact O-N 3.08Å
86L73.8Confident73.9Confident25 Ų2557.2 Ų57.213%0.13130%0.296CS..SBendtrans-75.9147.3178.4-58.7-177.8000111L55 F83 L90 I91 L94L55-L86 HydrophobicContact CD1-CD2 3.43Å; L55-L86 VanDerWaalsContact CD1-CD2 3.43Å; L55-L86 HydrophobicContact CD2-CD1 3.91Å; L55-L86 HydrophobicContact CD2-CD2 3.61Å; L55-L86 HydrophobicContact CD2-CG 4.42Å; L55-L86 HydrophobicContact CG-CD2 4.12Å; F83-L86 HydrophobicContact CB-CD1 4.24Å; F83-L86 HydrophobicContact CD1-CD1 3.77Å; F83-L86 VanDerWaalsContact O-CB 3.3Å; F83-L86 WeakPolarHBondContact O-CB 3Å; F83-L86 WeakPolarHBondContact O-CG 3.21Å; F83-L86 PolarHBondContact O-N 3.33Å; L86-L90 HydrophobicContact CB-CB 4.21Å; L86-L90 HydrophobicContact CB-CD1 4.43Å; L86-L90 HydrophobicContact CD2-CD1 4.36Å; L86-I91 HydrophobicContact CB-CD1 3.74Å; L86-I91 HydrophobicContact CB-CG1 4.08Å; L86-I91 HydrophobicContact CD1-CD1 4Å; L86-I91 HydrophobicContact CG-CD1 4.36Å; L86-L94 HydrophobicContact CD1-CD1 3.76Å
87G75.7Confident73.6Confident43 Ų4357 Ų5744%0.44330%0.295SS..  trans-61.8155.1174.900000112.5E89 L90 I91G87-E89 VanDerWaalsContact C-N 3.25Å; G87-E89 PolarHBondContact O-N 2.83Å; G87-L90 PolarHBondContact O-N 2.91Å; G87-I91 PolarHBondContact O-N 3.45Å; G87-I91 VanDerWaalsContact O-N 3.14Å
88E79.8Confident73.4Confident149 Ų14957.4 Ų57.470%0.69630%0.301SS*.Hα-helixtrans-56.8-38-177.1-66-169.5155.500113.4I91 H92E88-I91 PolarHBondContact O-N 2.88Å; E88-H92 VanDerWaalsContact O-CB 3.25Å; E88-H92 WeakPolarHBondContact O-CB 3.14Å; E88-H92 PolarHBondContact O-N 2.84Å
89E77.1Confident73.1Confident157 Ų15755 Ų5573%0.73430%0.299SS*.Hα-helixtrans-60.1-46.8176-63.5-179.317000110.8G87 I91 H92 D93G87-E89 VanDerWaalsContact C-N 3.25Å; G87-E89 PolarHBondContact O-N 2.83Å; E89-I91 PolarHBondContact O-N 3Å; E89-H92 PolarHBondContact O-N 3.21Å; E89-D93 PolarHBondContact O-N 2.89Å
90L72.3Confident73.1Confident36 Ų3649.9 Ų49.919%0.18828%0.276CS..Hα-helixtrans-65.5-41.2-178-56.7-172.2000112.5C59 L86 G87 L94C59-L90 HydrophobicContact CB-CD2 3.86Å; C59-L90 WeakPolarHBondContact SG-CD2 3.45Å; L86-L90 HydrophobicContact CB-CB 4.21Å; L86-L90 HydrophobicContact CB-CD1 4.43Å; L86-L90 HydrophobicContact CD2-CD1 4.36Å; G87-L90 PolarHBondContact O-N 2.91Å; L90-L94 VanDerWaalsContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.39Å
91I76.1Confident73.7Confident0 Ų052.7 Ų52.70%029%0.288CS..Hα-helixtrans-63.3-47.5175.5-68.2-50.2000111A74 I77 R78 F83 L86 G87 E88 E89 D93 L94 A95A74-I91 HydrophobicContact CB-CG2 3.54Å; A74-I91 WeakPolarHBondContact O-CG2 3.39Å; I77-I91 HydrophobicContact CB-CD1 4.26Å; I77-I91 HydrophobicContact CB-CG2 4.45Å; I77-I91 HydrophobicContact CG2-CD1 3.44Å; I77-I91 VanDerWaalsContact CG2-CD1 3.44Å; R78-I91 HydrophobicContact CG-CB 4.46Å; R78-I91 HydrophobicContact CG-CD1 4.44Å; R78-I91 HydrophobicContact CG-CG1 3.95Å; R78-I91 HydrophobicContact CG-CG2 3.82Å; F83-I91 HydrophobicContact CB-CD1 4.4Å; F83-I91 WeakPolarHBondContact O-CD1 3.47Å; L86-I91 HydrophobicContact CB-CD1 3.74Å; L86-I91 HydrophobicContact CB-CG1 4.08Å; L86-I91 HydrophobicContact CD1-CD1 4Å; L86-I91 HydrophobicContact CG-CD1 4.36Å; G87-I91 PolarHBondContact O-N 3.45Å; G87-I91 VanDerWaalsContact O-N 3.14Å; E88-I91 PolarHBondContact O-N 2.88Å; E89-I91 PolarHBondContact O-N 3Å; I91-D93 VanDerWaalsContact C-N 3.26Å; I91-D93 PolarHBondContact O-N 2.98Å; I91-L94 HydrophobicContact CD1-CD1 4.25Å; I91-L94 WeakPolarHBondContact O-CB 3.4Å; I91-L94 PolarHBondContact O-N 3.4Å; I91-A95 WeakPolarHBondContact O-CB 3.46Å; I91-A95 PolarHBondContact O-N 2.77Å
92H77.5Confident74.4Confident61 Ų6152.8 Ų52.828%0.28229%0.289SS..Hα-helixtrans-61.2-41.7-178.8176.8-92.7000111N67 E88 E89 A95 A96N67-H92 PolarHBondContact ND2-CE1 3.36Å; N67-H92 PolarHBondContact ND2-NE2 2.97Å; N67-H92 PolarHBondContact OD1-CE1 3.23Å; N67-H92 PolarHBondContact OD1-NE2 3.46Å; E88-H92 VanDerWaalsContact O-CB 3.25Å; E88-H92 WeakPolarHBondContact O-CB 3.14Å; E88-H92 PolarHBondContact O-N 2.84Å; E89-H92 PolarHBondContact O-N 3.21Å; H92-A95 WeakPolarHBondContact O-CB 3.34Å; H92-A95 PolarHBondContact O-N 3.21Å; H92-A96 VanDerWaalsContact O-CB 3.31Å; H92-A96 WeakPolarHBondContact O-CB 3.01Å; H92-A96 PolarHBondContact O-N 2.96Å
93D72.5Confident75.4Confident31 Ų3151.5 Ų51.517%0.16628%0.279CS..Hα-helixtrans-74.5-38.7-179.6-54.5-24.7000111.8L62 E89 I91 A95 A96 N97L62-D93 HydrophobicContact CB-CB 3.56Å; L62-D93 HydrophobicContact CD1-CB 3.96Å; L62-D93 HydrophobicContact CD2-CB 4.42Å; L62-D93 WeakPolarHBondContact CD2-O 3.09Å; L62-D93 HydrophobicContact CG-CB 4.17Å; E89-D93 PolarHBondContact O-N 2.89Å; I91-D93 VanDerWaalsContact C-N 3.26Å; I91-D93 PolarHBondContact O-N 2.98Å; D93-A95 PolarHBondContact O-N 3.3Å; D93-A96 PolarHBondContact O-N 3.23Å; D93-N97 PolarHBondContact O-N 2.8Å; D93-N97 PolarHBondContact O-ND2 2.67Å
94L73.6Confident76Confident15 Ų1558.1 Ų58.18%0.07931%0.31CS..Hα-helixtrans-52.3-45.8169.3-87170.4000110.5L58 L62 I77 L86 L90 I91 A96 G98L58-L94 HydrophobicContact CD1-CD2 3.65Å; L58-L94 HydrophobicContact CD2-CD1 4.26Å; L58-L94 HydrophobicContact CD2-CD2 3.58Å; L58-L94 HydrophobicContact CD2-CG 3.82Å; L58-L94 HydrophobicContact CG-CD2 3.94Å; L62-L94 HydrophobicContact CD1-CB 4.47Å; L62-L94 HydrophobicContact CD1-CD2 4.11Å; L62-L94 HydrophobicContact CD1-CG 3.9Å; I77-L94 HydrophobicContact CD1-CB 3.71Å; I77-L94 HydrophobicContact CG2-CD1 4.24Å; L86-L94 HydrophobicContact CD1-CD1 3.76Å; L90-L94 VanDerWaalsContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.39Å; I91-L94 HydrophobicContact CD1-CD1 4.25Å; I91-L94 WeakPolarHBondContact O-CB 3.4Å; I91-L94 PolarHBondContact O-N 3.4Å; L94-A96 PolarHBondContact O-N 3.46Å; L94-G98 WeakPolarHBondContact O-CA 3.22Å; L94-G98 PolarHBondContact O-N 3.35Å
95A76.1Confident76.6Confident3 Ų360.7 Ų60.73%0.02533%0.328CS..Hα-helixtrans-69.8-20.6179.600000114.4T70 V73 A74 I77 I91 H92 D93T70-A95 WeakPolarHBondContact O-CB 3.35Å; V73-A95 HydrophobicContact CB-CB 3.76Å; V73-A95 HydrophobicContact CG1-CB 3.74Å; A74-A95 HydrophobicContact CB-CB 3.76Å; A74-A95 VanDerWaalsContact N-CB 3.28Å; I77-A95 HydrophobicContact CD1-CB 3.92Å; I91-A95 WeakPolarHBondContact O-CB 3.46Å; I91-A95 PolarHBondContact O-N 2.77Å; H92-A95 WeakPolarHBondContact O-CB 3.34Å; H92-A95 PolarHBondContact O-N 3.21Å; D93-A95 PolarHBondContact O-N 3.3Å
96A73.8Confident77Confident25 Ų2556.5 Ų56.521%0.20732%0.316CS..Hα-helixtrans-94.2-23.4-178.600000113.4S65 T70 H92 D93 L94S65-A96 WeakPolarHBondContact OG-CB 3.47Å; T70-A96 VanDerWaalsContact CG2-CA 3.47Å; T70-A96 HydrophobicContact CG2-CB 3.65Å; H92-A96 VanDerWaalsContact O-CB 3.31Å; H92-A96 WeakPolarHBondContact O-CB 3.01Å; H92-A96 PolarHBondContact O-N 2.96Å; D93-A96 PolarHBondContact O-N 3.23Å; L94-A96 PolarHBondContact O-N 3.46Å
97N72.3Confident77.5Confident20 Ų2058.7 Ų58.711%0.10733%0.327CS..Hα-helixtrans-106.6-10.9176.3-63.9-82.1000113.3N33 F35 L62 S65 D93N33-N97 VanDerWaalsContact CG-O 3.24Å; N33-N97 PolarHBondContact OD1-O 2.86Å; F35-N97 HydrophobicContact CD2-CB 4.34Å; L62-N97 HydrophobicContact CD2-CB 3.39Å; L62-N97 WeakPolarHBondContact CD2-ND2 3.46Å; L62-N97 PolarHBondContact O-ND2 3.41Å; S65-N97 PolarHBondContact OG-ND2 3.46Å; D93-N97 PolarHBondContact O-N 2.8Å; D93-N97 PolarHBondContact O-ND2 2.67Å
98G71.8Confident77.8Confident13 Ų1359.6 Ų59.613%0.13432%0.324CS..EExtended strand (participates in β ladder)trans-105.9161.8173.600000112F32 L94F32-G98 CarbonylContact O-C 3.57Å; F32-G98 WeakPolarHBondContact O-CA 3.21Å; L94-G98 WeakPolarHBondContact O-CA 3.22Å; L94-G98 PolarHBondContact O-N 3.35Å
99A73.5Confident77.7Confident36 Ų3653.6 Ų53.630%0.29830%0.297SS..EExtended strand (participates in β ladder)trans-116.2133.2169.100000108.7I31 F32I31-A99 CarbonylContact C-O 3.59Å; I31-A99 VanDerWaalsContact CA-O 3.28Å; I31-A99 WeakPolarHBondContact CA-O 3.22Å; F32-A99 HydrophobicContact CD1-CB 3.99Å; F32-A99 HydrophobicContact CE1-CB 3.36Å; F32-A99 HydrophobicContact CE2-CB 4.44Å; F32-A99 HydrophobicContact CZ-CB 3.65Å; F32-A99 PolarHBondContact N-O 2.88Å; F32-A99 PolarHBondContact O-N 2.89Å
100Y77.2Confident77.5Confident34 Ų3446.3 Ų46.313%0.13326%0.263CS..EExtended strand (participates in β ladder)trans-88.8125.2169.5173.7-93.5000108.7K29 L30 I31 E76 E102 L123K29-Y100 HydrophobicContact CB-CE2 4.06Å; K29-Y100 HydrophobicContact CD-CE2 4.31Å; K29-Y100 WeakPolarHBondContact CD-OH 3.4Å; K29-Y100 WeakPolarHBondContact CE-OH 3.47Å; K29-Y100 HydrophobicContact CG-CE2 4.24Å; K29-Y100 VanDerWaalsContact CG-OH 3.23Å; K29-Y100 WeakPolarHBondContact CG-OH 3.23Å; L30-Y100 WeakPolarHBondContact O-CA 3.15Å; I31-Y100 HydrophobicContact CD1-CD2 4.44Å; I31-Y100 HydrophobicContact CG1-CD2 4.01Å; E76-Y100 HydrophobicContact CB-CD2 3.92Å; E76-Y100 HydrophobicContact CB-CE2 3.69Å; E76-Y100 HydrophobicContact CG-CD2 4.25Å; E76-Y100 HydrophobicContact CG-CE1 4.39Å; E76-Y100 HydrophobicContact CG-CE2 3.82Å; Y100-E102 HydrophobicContact CE1-CG 3.56Å; Y100-E102 PolarHBondContact OH-OE1 3.24Å; Y100-L123 HydrophobicContact CD2-CD1 4.05Å; Y100-L123 HydrophobicContact CE2-CD1 4.11Å
101E81Confident77.5Confident76 Ų7646.5 Ų46.536%0.35527%0.266SS..EExtended strand (participates in β ladder)trans-127.6134175.1-59.3-171158.900109.9L30 F32 L103L30-E101 HydrophobicContact CD1-CB 3.94Å; L30-E101 HydrophobicContact CG-CB 4.45Å; L30-E101 PolarHBondContact N-O 3.12Å; L30-E101 PolarHBondContact O-N 3.32Å; F32-E101 HydrophobicContact CD1-CG 4.05Å; F32-E101 HydrophobicContact CE1-CG 3.68Å; F32-E101 WeakPolarHBondContact CE1-OE1 3.18Å; E101-L103 HydrophobicContact CB-CD2 4.01Å; E101-L103 HydrophobicContact CB-CG 4.44Å
102E81.4Confident77.2Confident132 Ų13250.9 Ų50.962%0.61729%0.287SS*.EExtended strand (participates in β ladder)trans-90.3114.5164.7-51.5-163.5156.600107.1K29 Y100K29-E102 HydrophobicContact CG-CG 4.14Å; Y100-E102 HydrophobicContact CE1-CG 3.56Å; Y100-E102 PolarHBondContact OH-OE1 3.24Å
103L82.8Confident76.8Confident26 Ų2651.8 Ų51.814%0.13631%0.313CS..PPolyproline II helixtrans-102.3138179.7-63.7-164.8000111.3V26 A27 D28 L30 E101 I107 L109V26-L103 HydrophobicContact CB-CD1 4.34Å; A27-L103 CarbonylContact C-O 3.48Å; D28-L103 PolarHBondContact N-O 3.07Å; D28-L103 PolarHBondContact O-N 2.88Å; L30-L103 HydrophobicContact CD2-CD1 3.26Å; L30-L103 HydrophobicContact CD2-CG 3.72Å; L30-L103 HydrophobicContact CG-CD1 4.2Å; L30-L103 HydrophobicContact CG-CG 4.17Å; E101-L103 HydrophobicContact CB-CD2 4.01Å; E101-L103 HydrophobicContact CB-CG 4.44Å; L103-I107 HydrophobicContact CB-CB 4.38Å; L103-I107 HydrophobicContact CB-CG1 4.37Å; L103-I107 HydrophobicContact CD1-CB 4.22Å; L103-I107 HydrophobicContact CD1-CG2 3.84Å; L103-L109 HydrophobicContact CD1-CD2 3.41Å; L103-L109 VanDerWaalsContact CD1-CD2 3.41Å; L103-L109 HydrophobicContact CD1-CG 4.15Å
104E83.3Confident76.5Confident157 Ų15760 Ų6073%0.73434%0.341SS*.PPolyproline II helixtrans-67.9154.9171.4-65.5-177176.700111.5V26 G106 I107V26-E104 VanDerWaalsContact O-O 3.05Å; E104-G106 PolarHBondContact O-N 2.83Å; E104-I107 HydrophobicContact CB-CG1 4.36Å; E104-I107 VanDerWaalsContact O-CG1 3.29Å; E104-I107 WeakPolarHBondContact O-CG1 3.5Å; E104-I107 PolarHBondContact O-N 2.86Å
105S82.8Confident75.9Confident104 Ų10463.8 Ų63.873%0.72738%0.375SS*.THydrogen-bonded Turntrans-56.2124.6172.6-163.60000112.4
106G82.3Confident75.3Confident43 Ų4365 Ų6544%0.44338%0.383SS..THydrogen-bonded Turntrans96.36.4175.600000114.4Y25 V26 E104 V108Y25-G106 WeakPolarHBondContact CD1-O 3.34Å; V26-G106 PolarHBondContact O-N 2.85Å; V26-G106 VanDerWaalsContact O-N 3.17Å; E104-G106 PolarHBondContact O-N 2.83Å; G106-V108 PolarHBondContact O-N 3.02Å
107I85Confident74.8Confident72 Ų7269.4 Ų69.437%0.36940%0.403SS..EExtended strand (participates in β ladder)trans-67.6126.7169.6-63-64.2000109.7Y25 V26 L103 E104 L109Y25-I107 CarbonylContact C-O 3.55Å; Y25-I107 VanDerWaalsContact CA-O 3.24Å; Y25-I107 WeakPolarHBondContact CA-O 3.31Å; V26-I107 PolarHBondContact N-O 3.22Å; V26-I107 PolarHBondContact O-N 3.5Å; L103-I107 HydrophobicContact CB-CB 4.38Å; L103-I107 HydrophobicContact CB-CG1 4.37Å; L103-I107 HydrophobicContact CD1-CB 4.22Å; L103-I107 HydrophobicContact CD1-CG2 3.84Å; E104-I107 HydrophobicContact CB-CG1 4.36Å; E104-I107 VanDerWaalsContact O-CG1 3.29Å; E104-I107 WeakPolarHBondContact O-CG1 3.5Å; E104-I107 PolarHBondContact O-N 2.86Å; I107-L109 PolarHBondContact O-N 3.49Å
108V82.3Confident74.5Confident62 Ų6270.5 Ų70.538%0.37641%0.409SS..EExtended strand (participates in β ladder)trans-85.9109.1175-1790000109.2R23 L24 Y25 G106 F110 C111R23-V108 HydrophobicContact CB-CG1 4.48Å; L24-V108 WeakPolarHBondContact O-CA 2.94Å; Y25-V108 HydrophobicContact CD1-CG2 3.53Å; Y25-V108 HydrophobicContact CE1-CB 4.48Å; Y25-V108 HydrophobicContact CE1-CG2 3.14Å; Y25-V108 HydrophobicContact CE2-CG2 4.42Å; Y25-V108 HydrophobicContact CG-CG2 4.32Å; G106-V108 PolarHBondContact O-N 3.02Å; V108-F110 WeakPolarHBondContact CG1-O 3.09Å; V108-C111 HydrophobicContact CG1-CB 4.43Å
109L77.1Confident74.4Confident23 Ų2370.4 Ų70.412%0.1240%0.404CS..EExtended strand (participates in β ladder)trans-76.7-38.9173.2-73.5-172000112.7L24 V26 L30 L103 I107 Y120L24-L109 HydrophobicContact CD2-CB 4.41Å; L24-L109 HydrophobicContact CD2-CD1 4.24Å; L24-L109 PolarHBondContact O-N 3.32Å; V26-L109 HydrophobicContact CB-CD1 4.12Å; V26-L109 HydrophobicContact CB-CG 4.27Å; V26-L109 HydrophobicContact CG2-CB 4.48Å; V26-L109 HydrophobicContact CG2-CD1 3.13Å; V26-L109 HydrophobicContact CG2-CG 3.57Å; L30-L109 HydrophobicContact CD2-CD1 3.72Å; L30-L109 HydrophobicContact CD2-CD2 4.1Å; L30-L109 HydrophobicContact CD2-CG 4.39Å; L103-L109 HydrophobicContact CD1-CD2 3.41Å; L103-L109 VanDerWaalsContact CD1-CD2 3.41Å; L103-L109 HydrophobicContact CD1-CG 4.15Å; I107-L109 PolarHBondContact O-N 3.49Å; L109-Y120 HydrophobicContact CB-CE2 4.39Å; L109-Y120 HydrophobicContact CD1-CD1 3.47Å; L109-Y120 VanDerWaalsContact CD1-CD1 3.47Å; L109-Y120 HydrophobicContact CD1-CD2 4Å; L109-Y120 HydrophobicContact CD1-CE1 3.79Å; L109-Y120 HydrophobicContact CD1-CE2 4.26Å; L109-Y120 HydrophobicContact CD1-CG 3.6Å; L109-Y120 HydrophobicContact CD2-CD1 3.97Å; L109-Y120 HydrophobicContact CD2-CE1 3.4Å; L109-Y120 HydrophobicContact CD2-CE2 4.43Å; L109-Y120 HydrophobicContact CG-CD1 4.33Å; L109-Y120 HydrophobicContact CG-CE1 4.16Å
110F73.2Confident74.5Confident4 Ų469.8 Ų69.82%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-136.4139.9-176-65-82000110.9C13 L16 R23 L24 V108 S116 N118 Y120C13-F110 HydrophobicContact CB-CE2 4.13Å; L16-F110 HydrophobicContact CB-CB 3.83Å; L16-F110 HydrophobicContact CB-CD1 3.76Å; L16-F110 HydrophobicContact CB-CE1 4.46Å; L16-F110 HydrophobicContact CB-CG 3.93Å; L16-F110 HydrophobicContact CD1-CB 3.27Å; L16-F110 HydrophobicContact CD1-CD1 3.72Å; L16-F110 HydrophobicContact CD1-CD2 3.21Å; L16-F110 HydrophobicContact CD1-CE1 4.25Å; L16-F110 HydrophobicContact CD1-CE2 3.79Å; L16-F110 HydrophobicContact CD1-CG 3.13Å; L16-F110 HydrophobicContact CD1-CZ 4.25Å; L16-F110 HydrophobicContact CD2-CB 3.89Å; L16-F110 HydrophobicContact CG-CB 3.77Å; L16-F110 HydrophobicContact CG-CD1 4.29Å; L16-F110 HydrophobicContact CG-CD2 4.46Å; L16-F110 HydrophobicContact CG-CG 3.97Å; R23-F110 CarbonylContact C-O 3.49Å; R23-F110 VanDerWaalsContact CA-O 3.22Å; R23-F110 WeakPolarHBondContact CA-O 3.27Å; L24-F110 HydrophobicContact CB-CB 4.11Å; L24-F110 HydrophobicContact CB-CD2 4Å; L24-F110 HydrophobicContact CD2-CD2 3.62Å; L24-F110 HydrophobicContact CD2-CE2 3.97Å; L24-F110 HydrophobicContact CG-CD2 4.45Å; L24-F110 PolarHBondContact N-O 2.82Å; V108-F110 WeakPolarHBondContact CG1-O 3.09Å; F110-S116 VanDerWaalsContact CE1-OG 3.31Å; F110-S116 WeakPolarHBondContact CE1-OG 3.47Å; F110-N118 VanDerWaalsContact CZ-O 3.27Å; F110-N118 WeakPolarHBondContact CZ-O 3.31Å; F110-Y120 HydrophobicContact CD2-CD2 4.39Å; F110-Y120 HydrophobicContact CD2-CE2 4.41Å; F110-Y120 HydrophobicContact CE1-CD2 4.44Å; F110-Y120 HydrophobicContact CE1-CE2 4.11Å; F110-Y120 AromaticContact CE2-CD2 3.3Å; F110-Y120 HydrophobicContact CE2-CD2 3.3Å; F110-Y120 AromaticContact CE2-CE2 3.57Å; F110-Y120 HydrophobicContact CE2-CE2 3.57Å; F110-Y120 HydrophobicContact CE2-CG 4.35Å; F110-Y120 AromaticContact CZ-CD2 3.35Å; F110-Y120 HydrophobicContact CZ-CD2 3.35Å; F110-Y120 AromaticContact CZ-CE2 3.41Å; F110-Y120 HydrophobicContact CZ-CE2 3.41Å; F110-Y120 VanDerWaalsContact CZ-CE2 3.41Å
111C72Confident74.3Confident40 Ų4069 Ų6927%0.2740%0.395SS..EExtended strand (participates in β ladder)trans-130.3133169.5-176.40000107.4R23 V108 G113 R114R23-C111 HydrophobicContact CG-CB 4.45Å; V108-C111 HydrophobicContact CG1-CB 4.43Å; C111-G113 PolarHBondContact O-N 3.38Å; C111-R114 HydrophobicContact CB-CB 4.31Å; C111-R114 WeakPolarHBondContact O-CB 3.15Å; C111-R114 PolarHBondContact O-N 3.28Å
112H69.8Low74.1Confident92 Ų9265.6 Ų65.643%0.42638%0.379SS..THydrogen-bonded Turntrans-51.8142.4172.1174.886.2000111.3F19 A20 G22 R114F19-H112 PolarHBondContact O-CE1 3.47Å; F19-H112 VanDerWaalsContact O-CE1 3.32Å; F19-H112 PolarHBondContact O-ND1 3.21Å; A20-H112 PolarHBondContact O-CE1 3.28Å; A20-H112 PolarHBondContact O-ND1 3.41Å; G22-H112 WeakPolarHBondContact O-CB 3.25Å; G22-H112 PolarHBondContact O-N 3.19Å; H112-R114 PolarHBondContact O-N 3.05Å
113G68.7Low73.7Confident80 Ų8059.8 Ų59.883%0.82535%0.353SS*.THydrogen-bonded Turntrans75.9-9.9-175.700000114.6C111C111-G113 PolarHBondContact O-N 3.38Å
114R66.6Low73.4Confident202 Ų20263 Ų6376%0.76237%0.367SS*.SBendtrans-97.4116.3172-168.5173.8-179.6177-1.9109.1C111 H112 S116C111-R114 HydrophobicContact CB-CB 4.31Å; C111-R114 WeakPolarHBondContact O-CB 3.15Å; C111-R114 PolarHBondContact O-N 3.28Å; H112-R114 PolarHBondContact O-N 3.05Å; R114-S116 PolarHBondContact O-N 3.23Å
115A60.8Low73.4Confident95 Ų9556.5 Ų56.579%0.78534%0.342SS*.  trans-60.9127.5173.500000109.7
116S64.7Low73.3Confident28 Ų2852.9 Ų52.920%0.19632%0.317CS..  trans-132.5132.1165.3173.60000106.4P15 F110 R114 N118P15-S116 WeakPolarHBondContact CB-O 3.24Å; F110-S116 VanDerWaalsContact CE1-OG 3.31Å; F110-S116 WeakPolarHBondContact CE1-OG 3.47Å; R114-S116 PolarHBondContact O-N 3.23Å; S116-N118 PolarHBondContact OG-N 2.83Å
117N63.2Low73.2Confident118 Ų11851 Ų5163%0.63130%0.297SS*.  trans-99.40.2176.2-63.4-17.4000111.5
118N66Low73Confident44 Ų4448.9 Ų48.924%0.23529%0.286CS..  trans-89.5140.5-174.8-62.4-16.2000110F32 F110 S116 Y120F32-N118 HydrophobicContact CD2-CB 4.08Å; F110-N118 VanDerWaalsContact CZ-O 3.27Å; F110-N118 WeakPolarHBondContact CZ-O 3.31Å; S116-N118 PolarHBondContact OG-N 2.83Å; N118-Y120 HydrophobicContact CB-CE2 3.83Å
119W69.7Low72.7Confident10 Ų1046 Ų464%0.03827%0.269CS..EExtended strand (participates in β ladder)trans-99.7146.7167.3-7159.4000109.4I12 P14 P15 F32 N33 F36 W41I12-W119 HydrophobicContact CG2-CE3 3.74Å; I12-W119 HydrophobicContact CG2-CZ3 3.9Å; P14-W119 HydrophobicContact CB-CD2 4.47Å; P14-W119 HydrophobicContact CB-CE3 4.15Å; P14-W119 HydrophobicContact CB-CH2 3.76Å; P14-W119 HydrophobicContact CB-CZ2 4.11Å; P14-W119 HydrophobicContact CB-CZ3 3.78Å; P15-W119 VanDerWaalsContact CD-CD1 3.45Å; F32-W119 WeakPolarHBondContact CA-O 3.33Å; F32-W119 WeakPolarHBondContact CB-O 3.49Å; N33-W119 PolarHBondContact N-O 2.84Å; F36-W119 HydrophobicContact CB-CB 4.45Å; F36-W119 HydrophobicContact CB-CD2 4.19Å; F36-W119 HydrophobicContact CB-CG 3.71Å; F36-W119 VanDerWaalsContact CB-NE1 3.28Å; F36-W119 HydrophobicContact CD2-CB 3.52Å; F36-W119 AromaticContact CD2-CD1 3.9Å; F36-W119 HydrophobicContact CD2-CD2 4.35Å; F36-W119 AromaticContact CD2-CG 3.64Å; F36-W119 HydrophobicContact CD2-CG 3.64Å; F36-W119 HydrophobicContact CE2-CB 3.96Å; F36-W119 HydrophobicContact CE2-CG 4.37Å; F36-W119 HydrophobicContact CG-CB 4.25Å; F36-W119 AromaticContact CG-CD1 3.83Å; F36-W119 HydrophobicContact CG-CD2 4.27Å; F36-W119 AromaticContact CG-CG 3.86Å; F36-W119 HydrophobicContact CG-CG 3.86Å; W41-W119 HydrophobicContact CB-CZ2 4.27Å
120Y74.6Confident72.5Confident23 Ų2349.9 Ų49.99%0.0928%0.282CS..EExtended strand (participates in β ladder)trans-122.6134.6176.9-60-101.4000109.9C13 L30 I31 F32 L109 F110 N118C13-Y120 PolarHBondContact N-O 3.23Å; C13-Y120 PolarHBondContact O-N 3.5Å; L30-Y120 HydrophobicContact CD1-CD1 3.59Å; L30-Y120 HydrophobicContact CD1-CE1 4.01Å; L30-Y120 HydrophobicContact CD2-CD1 3.68Å; L30-Y120 HydrophobicContact CD2-CE1 4.2Å; L30-Y120 HydrophobicContact CG-CD1 4.19Å; I31-Y120 CarbonylContact O-C 3.52Å; I31-Y120 WeakPolarHBondContact O-CA 3.14Å; F32-Y120 HydrophobicContact CB-CD1 3.45Å; F32-Y120 VanDerWaalsContact CB-CD1 3.45Å; F32-Y120 HydrophobicContact CB-CE1 3.51Å; F32-Y120 HydrophobicContact CB-CG 4.01Å; F32-Y120 HydrophobicContact CD1-CE1 4.28Å; F32-Y120 HydrophobicContact CG-CD1 4.35Å; F32-Y120 AromaticContact CG-CE1 3.96Å; F32-Y120 HydrophobicContact CG-CE1 3.96Å; L109-Y120 HydrophobicContact CB-CE2 4.39Å; L109-Y120 HydrophobicContact CD1-CD1 3.47Å; L109-Y120 VanDerWaalsContact CD1-CD1 3.47Å; L109-Y120 HydrophobicContact CD1-CD2 4Å; L109-Y120 HydrophobicContact CD1-CE1 3.79Å; L109-Y120 HydrophobicContact CD1-CE2 4.26Å; L109-Y120 HydrophobicContact CD1-CG 3.6Å; L109-Y120 HydrophobicContact CD2-CD1 3.97Å; L109-Y120 HydrophobicContact CD2-CE1 3.4Å; L109-Y120 HydrophobicContact CD2-CE2 4.43Å; L109-Y120 HydrophobicContact CG-CD1 4.33Å; L109-Y120 HydrophobicContact CG-CE1 4.16Å; F110-Y120 HydrophobicContact CD2-CD2 4.39Å; F110-Y120 HydrophobicContact CD2-CE2 4.41Å; F110-Y120 HydrophobicContact CE1-CD2 4.44Å; F110-Y120 HydrophobicContact CE1-CE2 4.11Å; F110-Y120 AromaticContact CE2-CD2 3.3Å; F110-Y120 HydrophobicContact CE2-CD2 3.3Å; F110-Y120 AromaticContact CE2-CE2 3.57Å; F110-Y120 HydrophobicContact CE2-CE2 3.57Å; F110-Y120 HydrophobicContact CE2-CG 4.35Å; F110-Y120 AromaticContact CZ-CD2 3.35Å; F110-Y120 HydrophobicContact CZ-CD2 3.35Å; F110-Y120 AromaticContact CZ-CE2 3.41Å; F110-Y120 HydrophobicContact CZ-CE2 3.41Å; F110-Y120 VanDerWaalsContact CZ-CE2 3.41Å; N118-Y120 HydrophobicContact CB-CE2 3.83Å
121A73.2Confident72.4Confident17 Ų1750.4 Ų50.414%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-106.3118.5163.200000107.3V11 L30 I31 F83 L123V11-A121 WeakPolarHBondContact O-CA 3.3Å; L30-A121 WeakPolarHBondContact CA-O 3.28Å; I31-A121 PolarHBondContact N-O 3.42Å; I31-A121 PolarHBondContact O-N 2.8Å; F83-A121 HydrophobicContact CZ-CB 4.25Å; A121-L123 PolarHBondContact O-N 3.29Å
122L75.7Confident71.9Confident5 Ų552.6 Ų52.63%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-74.1121.2171.3-174.268000108.5C10 V11 V26 E124 V127 C143C10-L122 PolarHBondContact SG-O 3.33Å; V11-L122 HydrophobicContact CB-CB 3.96Å; V11-L122 HydrophobicContact CB-CD2 4.21Å; V11-L122 HydrophobicContact CG2-CD2 4.1Å; V11-L122 PolarHBondContact O-N 3.04Å; V26-L122 HydrophobicContact CG1-CD1 3.98Å; L122-E124 WeakPolarHBondContact CD1-O 3.23Å; L122-V127 HydrophobicContact CD1-CG1 3.64Å; L122-V127 HydrophobicContact CD2-CB 4.49Å; L122-V127 HydrophobicContact CD2-CG1 3.66Å; L122-V127 HydrophobicContact CD2-CG2 4.22Å; L122-V127 HydrophobicContact CG-CG1 4.16Å; L122-C143 HydrophobicContact CD2-CB 3.52Å; L122-C143 HydrophobicContact CG-CB 3.82Å
123L74.4Confident71.5Confident11 Ų1151.7 Ų51.76%0.05830%0.297CS..  trans-96.4-34.5-177.9-74-156.4000113.2K29 I31 V80 F83 Y100 A121 C143K29-L123 HydrophobicContact CB-CB 4.31Å; K29-L123 PolarHBondContact O-N 2.77Å; I31-L123 HydrophobicContact CD1-CD1 3.43Å; I31-L123 VanDerWaalsContact CD1-CD1 3.43Å; I31-L123 HydrophobicContact CD1-CD2 4.23Å; I31-L123 HydrophobicContact CD1-CG 4.11Å; I31-L123 HydrophobicContact CG1-CD1 3.62Å; I31-L123 HydrophobicContact CG1-CD2 4.45Å; I31-L123 HydrophobicContact CG1-CG 4Å; V80-L123 HydrophobicContact CB-CD2 4.13Å; V80-L123 HydrophobicContact CG1-CD2 4.02Å; V80-L123 HydrophobicContact CG2-CB 3.78Å; V80-L123 HydrophobicContact CG2-CD1 4.1Å; V80-L123 HydrophobicContact CG2-CD2 3.89Å; V80-L123 HydrophobicContact CG2-CG 4.11Å; V80-L123 WeakPolarHBondContact CG2-O 3.19Å; F83-L123 HydrophobicContact CD2-CD2 4.08Å; F83-L123 HydrophobicContact CE2-CD2 3.8Å; Y100-L123 HydrophobicContact CD2-CD1 4.05Å; Y100-L123 HydrophobicContact CE2-CD1 4.11Å; A121-L123 PolarHBondContact O-N 3.29Å; L123-C143 PolarHBondContact O-SG 2.79Å
124E76.3Confident71.2Confident93 Ų9357.6 Ų57.644%0.43530%0.304SS..SBendtrans-147153.7178.5-163.1173.2167.300107.9D28 K29 L122D28-E124 WeakPolarHBondContact CB-O 3.18Å; K29-E124 HydrophobicContact CB-CB 4.09Å; K29-E124 HydrophobicContact CD-CB 4Å; K29-E124 VanDerWaalsContact CD-OE2 3.24Å; K29-E124 WeakPolarHBondContact CD-OE2 3.43Å; K29-E124 WeakPolarHBondContact CE-OE2 3.48Å; K29-E124 HydrophobicContact CG-CB 4.46Å; K29-E124 IonicContact NZ-OE2 3.87Å; K29-E124 PolarHBondContact NZ-OE2 3.05Å; K29-E124 PolarHBondContact O-N 2.64Å; L122-E124 WeakPolarHBondContact CD1-O 3.23Å
125G82.1Confident71.1Confident20 Ų2054.1 Ų54.121%0.20630%0.3CS..SBendtrans88.2-144.2169.800000115.6D28 C143D28-G125 VanDerWaalsContact OD2-CA 3.26Å; D28-G125 WeakPolarHBondContact OD2-CA 3.03Å; D28-G125 PolarHBondContact OD2-N 2.72Å; G125-C143 WeakPolarHBondContact O-CB 3.35Å; G125-C143 PolarHBondContact O-N 3.08Å
126S81.5Confident71.2Confident29 Ų2955.5 Ų55.520%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-142.9154.1-172.264.40000113.1A27A27-S126 PolarHBondContact N-O 3.32Å
127V79.8Confident71.5Confident3 Ų356.4 Ų56.42%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-130.4137.3177.4-58.10000110.6V11 L24 Y25 V26 L122 F141V11-V127 HydrophobicContact CG1-CG2 4.44Å; L24-V127 HydrophobicContact CD1-CB 4.06Å; L24-V127 HydrophobicContact CD1-CG2 4.1Å; Y25-V127 CarbonylContact O-C 3.5Å; Y25-V127 WeakPolarHBondContact O-CA 3.5Å; Y25-V127 WeakPolarHBondContact O-CB 3.47Å; V26-V127 HydrophobicContact CB-CG1 3.97Å; V26-V127 HydrophobicContact CG1-CG1 3.86Å; V26-V127 HydrophobicContact CG2-CB 4.18Å; V26-V127 HydrophobicContact CG2-CG1 3.41Å; V26-V127 VanDerWaalsContact CG2-CG1 3.41Å; L122-V127 HydrophobicContact CD1-CG1 3.64Å; L122-V127 HydrophobicContact CD2-CB 4.49Å; L122-V127 HydrophobicContact CD2-CG1 3.66Å; L122-V127 HydrophobicContact CD2-CG2 4.22Å; L122-V127 HydrophobicContact CG-CG1 4.16Å; V127-F141 HydrophobicContact CG2-CB 3.83Å; V127-F141 HydrophobicContact CG2-CD2 4.5Å; V127-F141 PolarHBondContact N-O 3.5Å; V127-F141 PolarHBondContact O-N 3.22Å
128D80.4Confident71.8Confident28 Ų2854.8 Ų54.815%0.1530%0.299CS..EExtended strand (participates in β ladder)trans-105119.4177.3-78.4-37.7000109.7L24 Y25 Y130 R140L24-D128 WeakPolarHBondContact CA-O 3.19Å; Y25-D128 PolarHBondContact N-O 2.94Å; Y25-D128 PolarHBondContact O-N 2.88Å; D128-Y130 HydrophobicContact CB-CD2 4.19Å; D128-Y130 HydrophobicContact CB-CE2 3.51Å; D128-R140 VanDerWaalsContact OD1-CB 3.3Å; D128-R140 WeakPolarHBondContact OD1-CB 3.46Å; D128-R140 WeakPolarHBondContact OD1-CD 3.42Å; D128-R140 WeakPolarHBondContact OD1-CG 3.34Å; D128-R140 IonicContact OD1-CZ 3.66Å; D128-R140 IonicContact OD1-NE 3.6Å; D128-R140 PolarHBondContact OD1-NE 3.08Å; D128-R140 IonicContact OD1-NH2 2.86Å; D128-R140 PolarHBondContact OD1-NH2 3.48Å; D128-R140 IonicContact OD2-CZ 2.64Å; D128-R140 IonicContact OD2-NE 3.41Å; D128-R140 IonicContact OD2-NH2 3.48Å; D128-R140 PolarHBondContact OD2-NH2 3.25Å
129L76.4Confident72.2Confident2 Ų255.2 Ų55.21%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-100.4109.2170.6-178.362.4000109.3L2 F19 L24 A131 V139 F141L2-L129 HydrophobicContact CB-CD2 4.49Å; L2-L129 HydrophobicContact CD1-CD2 4.13Å; L2-L129 HydrophobicContact CD2-CD2 4.04Å; L2-L129 HydrophobicContact CG-CD2 4.43Å; F19-L129 HydrophobicContact CE1-CD2 4.06Å; L24-L129 HydrophobicContact CB-CD1 4.44Å; L24-L129 HydrophobicContact CD1-CB 4.13Å; L24-L129 HydrophobicContact CD1-CD1 4.28Å; L129-A131 PolarHBondContact O-N 3.36Å; L129-V139 WeakPolarHBondContact CA-O 2.92Å; L129-V139 WeakPolarHBondContact CB-O 3.11Å; L129-V139 PolarHBondContact N-O 3.5Å; L129-V139 PolarHBondContact O-N 3.35Å; L129-V139 VanDerWaalsContact O-O 3.12Å; L129-F141 HydrophobicContact CB-CD2 4.3Å; L129-F141 HydrophobicContact CB-CE2 3.89Å; L129-F141 HydrophobicContact CD2-CE2 3.93Å
130Y74.4Confident72.3Confident104 Ų10461.1 Ų61.141%0.40833%0.325SS..EExtended strand (participates in β ladder)trans-91.8103169.8-63.4-94000107.5G22 R23 Y25 D128G22-Y130 CarbonylContact C-O 3.34Å; G22-Y130 WeakPolarHBondContact CA-O 3.46Å; R23-Y130 PolarHBondContact N-O 2.76Å; R23-Y130 PolarHBondContact O-N 2.97Å; Y25-Y130 AromaticContact CD2-CD2 3.36Å; Y25-Y130 HydrophobicContact CD2-CD2 3.36Å; Y25-Y130 AromaticContact CD2-CE2 3.42Å; Y25-Y130 HydrophobicContact CD2-CE2 3.42Å; Y25-Y130 VanDerWaalsContact CD2-CE2 3.42Å; Y25-Y130 AromaticContact CE2-CD2 3.34Å; Y25-Y130 HydrophobicContact CE2-CD2 3.34Å; Y25-Y130 AromaticContact CE2-CE2 3.6Å; Y25-Y130 HydrophobicContact CE2-CE2 3.6Å; Y25-Y130 HydrophobicContact CE2-CG 4.29Å; Y25-Y130 HydrophobicContact CG-CE2 4.3Å; D128-Y130 HydrophobicContact CB-CD2 4.19Å; D128-Y130 HydrophobicContact CB-CE2 3.51Å
131A69.2Low72.1Confident15 Ų1562 Ų6212%0.12433%0.329CS..EExtended strand (participates in β ladder)trans-90.4137.617100000108.8A21 L129 D133 S137A21-A131 WeakPolarHBondContact O-CA 3.45Å; L129-A131 PolarHBondContact O-N 3.36Å; A131-D133 PolarHBondContact O-N 3.14Å; A131-S137 PolarHBondContact N-O 3.3Å
132V62.5Low71.9Confident86 Ų8666.8 Ų66.852%0.52135%0.347SS..  trans-97.488.8168.6-172.50000106.5A21A21-V132 HydrophobicContact CB-CB 3.75Å; A21-V132 HydrophobicContact CB-CG2 4.4Å; A21-V132 PolarHBondContact O-N 3.25Å
133D62.2Low71.4Confident72 Ų7267.1 Ų67.139%0.38535%0.35SS..SBendtrans-92.6-178.6160.967.6-10.3000109.8A131 N135 N136 S137A131-D133 PolarHBondContact O-N 3.14Å; D133-N135 PolarHBondContact O-N 3.32Å; D133-N135 VanDerWaalsContact OD1-C 3.26Å; D133-N135 WeakPolarHBondContact OD1-CA 3.37Å; D133-N135 PolarHBondContact OD1-N 3.05Å; D133-N135 VanDerWaalsContact OD1-N 3.08Å; D133-N136 PolarHBondContact O-N 3.32Å; D133-N136 PolarHBondContact OD1-N 3Å; D133-S137 PolarHBondContact OD1-N 3.43Å; D133-S137 VanDerWaalsContact OD1-N 3.07Å; D133-S137 PolarHBondContact OD1-OG 3.06Å; D133-S137 PolarHBondContact OD2-OG 2.84Å
134E60.9Low70.7Confident204 Ų20476.2 Ų76.295%0.95340%0.399SS*.THydrogen-bonded Turntrans-56.2-18.2174.2-64.5-176.3169.600112.9
135N65.3Low70.4Confident130 Ų13075.4 Ų75.470%0.69540%0.397SS*.THydrogen-bonded Turntrans-102.8-1.6-179.2-62.7-36000114.2D133 S137D133-N135 PolarHBondContact O-N 3.32Å; D133-N135 VanDerWaalsContact OD1-C 3.26Å; D133-N135 WeakPolarHBondContact OD1-CA 3.37Å; D133-N135 PolarHBondContact OD1-N 3.05Å; D133-N135 VanDerWaalsContact OD1-N 3.08Å; N135-S137 PolarHBondContact O-N 3.07Å
136N63.7Low69.8Low123 Ų12378.3 Ų78.366%0.65841%0.407SS*.  trans50.549.6-176.5-164.449.8000113.7D133D133-N136 PolarHBondContact O-N 3.32Å; D133-N136 PolarHBondContact OD1-N 3Å
137S69Low69.1Low48 Ų4881 Ų8134%0.33642%0.418SS..  trans-85.7130.6-172.3-52.30000114.2A131 D133 N135A131-S137 PolarHBondContact N-O 3.3Å; D133-S137 PolarHBondContact OD1-N 3.43Å; D133-S137 VanDerWaalsContact OD1-N 3.07Å; D133-S137 PolarHBondContact OD1-OG 3.06Å; D133-S137 PolarHBondContact OD2-OG 2.84Å; N135-S137 PolarHBondContact O-N 3.07Å
138S71.4Confident68.5Low83 Ų8385.6 Ų85.658%0.5844%0.442SS*.EExtended strand (participates in β ladder)trans-96133.1168.561.60000111.5
139V73.5Confident67.7Low53 Ų5389.2 Ų89.232%0.32146%0.46SS..EExtended strand (participates in β ladder)trans-120.1126.8174.1-175.10000109L2 L129 F141L2-V139 HydrophobicContact CD1-CG2 4.31Å; L129-V139 WeakPolarHBondContact CA-O 2.92Å; L129-V139 WeakPolarHBondContact CB-O 3.11Å; L129-V139 PolarHBondContact N-O 3.5Å; L129-V139 PolarHBondContact O-N 3.35Å; L129-V139 VanDerWaalsContact O-O 3.12Å; V139-F141 HydrophobicContact CB-CE2 4.14Å; V139-F141 HydrophobicContact CB-CZ 4.29Å; V139-F141 HydrophobicContact CG1-CD2 4.43Å; V139-F141 HydrophobicContact CG1-CE1 4.11Å; V139-F141 HydrophobicContact CG1-CE2 3.71Å; V139-F141 HydrophobicContact CG1-CZ 3.51Å
140R71Confident67.1Low135 Ų13595 Ų9551%0.50949%0.49SS..EExtended strand (participates in β ladder)trans-101.5132176.9-178.2173.7-74.5-171.8-12.4110D128 F142D128-R140 VanDerWaalsContact OD1-CB 3.3Å; D128-R140 WeakPolarHBondContact OD1-CB 3.46Å; D128-R140 WeakPolarHBondContact OD1-CD 3.42Å; D128-R140 WeakPolarHBondContact OD1-CG 3.34Å; D128-R140 IonicContact OD1-CZ 3.66Å; D128-R140 IonicContact OD1-NE 3.6Å; D128-R140 PolarHBondContact OD1-NE 3.08Å; D128-R140 IonicContact OD1-NH2 2.86Å; D128-R140 PolarHBondContact OD1-NH2 3.48Å; D128-R140 IonicContact OD2-CZ 2.64Å; D128-R140 IonicContact OD2-NE 3.41Å; D128-R140 IonicContact OD2-NH2 3.48Å; D128-R140 PolarHBondContact OD2-NH2 3.25Å; R140-F142 HydrophobicContact CB-CE2 4.24Å; R140-F142 HydrophobicContact CG-CD2 4.14Å; R140-F142 HydrophobicContact CG-CE1 4.23Å; R140-F142 HydrophobicContact CG-CE2 3.6Å; R140-F142 HydrophobicContact CG-CZ 3.68Å
141F72.2Confident66.6Low41 Ų4194.4 Ų94.418%0.1850%0.496CS..EExtended strand (participates in β ladder)trans-112138.3172.9-57.6-87.5000109.4T4 V11 V127 L129 V139T4-F141 HydrophobicContact CG2-CE2 4.3Å; T4-F141 WeakPolarHBondContact OG1-CE1 2.87Å; T4-F141 WeakPolarHBondContact OG1-CE2 3.42Å; T4-F141 WeakPolarHBondContact OG1-CZ 3.28Å; V11-F141 HydrophobicContact CG1-CB 4.37Å; V11-F141 HydrophobicContact CG2-CB 4.1Å; V127-F141 HydrophobicContact CG2-CB 3.83Å; V127-F141 HydrophobicContact CG2-CD2 4.5Å; V127-F141 PolarHBondContact N-O 3.5Å; V127-F141 PolarHBondContact O-N 3.22Å; L129-F141 HydrophobicContact CB-CD2 4.3Å; L129-F141 HydrophobicContact CB-CE2 3.89Å; L129-F141 HydrophobicContact CD2-CE2 3.93Å; V139-F141 HydrophobicContact CB-CE2 4.14Å; V139-F141 HydrophobicContact CB-CZ 4.29Å; V139-F141 HydrophobicContact CG1-CD2 4.43Å; V139-F141 HydrophobicContact CG1-CE1 4.11Å; V139-F141 HydrophobicContact CG1-CE2 3.71Å; V139-F141 HydrophobicContact CG1-CZ 3.51Å
142F67.8Low66.4Low117 Ų117100.5 Ų100.551%0.51352%0.524SS..EExtended strand (participates in β ladder)trans-115.9141.7-178.3-65.7-90.2000109.6R140R140-F142 HydrophobicContact CB-CE2 4.24Å; R140-F142 HydrophobicContact CG-CD2 4.14Å; R140-F142 HydrophobicContact CG-CE1 4.23Å; R140-F142 HydrophobicContact CG-CE2 3.6Å; R140-F142 HydrophobicContact CG-CZ 3.68Å
143C65.7Low66.8Low13 Ų13101.7 Ų101.79%0.08852%0.524CS..  trans-101.1128163.3163.40000107.4G9 L122 L123 G125G9-C143 WeakPolarHBondContact O-CA 3.42Å; G9-C143 WeakPolarHBondContact O-CB 3.48Å; G9-C143 PolarHBondContact O-SG 3Å; L122-C143 HydrophobicContact CD2-CB 3.52Å; L122-C143 HydrophobicContact CG-CB 3.82Å; L123-C143 PolarHBondContact O-SG 2.79Å; G125-C143 WeakPolarHBondContact O-CB 3.35Å; G125-C143 PolarHBondContact O-N 3.08Å
144N58.4Low67.2Low201 Ų201104.4 Ų104.4100%1.07554%0.537SS*.  trans-127.50176.9-98.2-8.6000109.7G9G9-N144 WeakPolarHBondContact CA-O 3.4Å

Retrieved 144 of 144 residues in 39.9 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).