A0A087XZ83_POEFO Loading...

Ribokinase

Catalyzes the phosphorylation of ribose at O-5 in a reaction requiring ATP and magnesium. The resulting D-ribose-5-phosphate can then be used either for sythesis of nucleotides, histidine, and tryptophan, or as a component of the pentose phosphate pathway.

AlphaFold DB , UniProt , Accession A0A087XZ83, Species POEFO (Poecilia formosa, Amazon molly), Gene RBKS, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.4Very low79.8Confident242 Ų24261.5 Ų61.5100%1.19232%0.323SS*.  0105.20-62.7174.6-139.400106.2D3M1-D3 PolarHBondContact O-N 2.76Å
2S41Very low81.4Confident72 Ų7256.4 Ų56.450%0.50330%0.297SS..  trans-66.7135.4-168.662.60000110.8R4S2-R4 PolarHBondContact O-N 3.47Å; S2-R4 WeakPolarHBondContact OG-CD 3.29Å; S2-R4 VanDerWaalsContact OG-CG 3.29Å; S2-R4 WeakPolarHBondContact OG-CG 3.12Å; S2-R4 PolarHBondContact OG-NE 2.83Å
3D53Low82.7Confident117 Ų11752.1 Ų52.163%0.62627%0.274SS*.  trans-69.740.6-179.5-155.227.7000113.2M1 K139M1-D3 PolarHBondContact O-N 2.76Å; D3-K139 IonicContact OD1-NZ 2.63Å; D3-K139 PolarHBondContact OD1-NZ 2.92Å; D3-K139 IonicContact OD2-NZ 2.83Å; D3-K139 PolarHBondContact OD2-NZ 2.95Å
4R60.8Low83.8Confident150 Ų15048.4 Ų48.457%0.56626%0.255SS*.  trans-84.1120.3-164.9-90.3-177.5-163.3-179.64.5110.3S2S2-R4 PolarHBondContact O-N 3.47Å; S2-R4 WeakPolarHBondContact OG-CD 3.29Å; S2-R4 VanDerWaalsContact OG-CG 3.29Å; S2-R4 WeakPolarHBondContact OG-CG 3.12Å; S2-R4 PolarHBondContact OG-NE 2.83Å
5A88.1Confident84.7Confident59 Ų5945.6 Ų45.649%0.48824%0.24SC..  trans-65.4144.5167.400000110.6K58 K139A5-K58 PolarHBondContact O-NZ 3.22Å; A5-K139 HydrophobicContact CB-CB 4.45Å
6F96.7Very high85.5Confident11 Ų1142.9 Ų42.95%0.04823%0.226CC..  trans-108.6148.8172.9-65.5-73000108.6V9 K58 A60 H84 F87 A136 A140 K141F6-V9 HydrophobicContact CB-CG2 3.83Å; F6-V9 HydrophobicContact CD2-CG2 4.18Å; F6-V9 HydrophobicContact CG-CG2 4.25Å; F6-K58 HydrophobicContact CD1-CD 4.35Å; F6-K58 HydrophobicContact CD1-CG 4.09Å; F6-A60 HydrophobicContact CD1-CB 3.77Å; F6-A60 HydrophobicContact CD2-CB 3.99Å; F6-A60 HydrophobicContact CE1-CB 3.75Å; F6-A60 HydrophobicContact CE2-CB 3.95Å; F6-A60 HydrophobicContact CG-CB 3.91Å; F6-A60 HydrophobicContact CZ-CB 3.83Å; F6-H84 HydrophobicContact CE1-CB 3.81Å; F6-H84 AromaticContact CE1-CD2 3.68Å; F6-H84 AromaticContact CE1-CG 3.51Å; F6-H84 AromaticContact CE1-ND1 3.78Å; F6-H84 HydrophobicContact CZ-CB 4.22Å; F6-F87 HydrophobicContact CE2-CE2 4.06Å; F6-F87 HydrophobicContact CZ-CE2 4.47Å; F6-A136 HydrophobicContact CD2-CB 3.9Å; F6-A136 HydrophobicContact CE2-CB 3.83Å; F6-A140 VanDerWaalsContact O-CA 3.29Å; F6-A140 WeakPolarHBondContact O-CA 3.4Å; F6-K141 PolarHBondContact O-N 2.63Å
7D98.2Very high86Confident25 Ų2541.4 Ų41.413%0.13422%0.218CC..SBendtrans-76-47.1172.7-70.8-52000109.7V57 K58 K141 V142 A274 H275D7-V57 HydrophobicContact CB-CB 3.84Å; D7-V57 HydrophobicContact CB-CG1 4.35Å; D7-K58 PolarHBondContact N-O 3.38Å; D7-K58 PolarHBondContact OD2-N 3.46Å; D7-K141 WeakPolarHBondContact O-CB 3.48Å; D7-K141 PolarHBondContact O-N 3.37Å; D7-K141 VanDerWaalsContact OD1-CE 3.26Å; D7-K141 WeakPolarHBondContact OD1-CE 3.42Å; D7-K141 IonicContact OD1-NZ 2.76Å; D7-K141 PolarHBondContact OD1-NZ 2.89Å; D7-V142 PolarHBondContact O-N 3.31Å; D7-V142 VanDerWaalsContact O-N 3.08Å; D7-A274 HydrophobicContact CB-CB 4.05Å; D7-H275 IonicContact OD1-CD2 3.72Å; D7-H275 IonicContact OD1-NE2 3.18Å; D7-H275 PolarHBondContact OD1-NE2 2.76Å; D7-H275 IonicContact OD2-CD2 3.89Å; D7-H275 IonicContact OD2-CE1 3.94Å; D7-H275 IonicContact OD2-NE2 2.96Å; D7-H275 PolarHBondContact OD2-NE2 3.09Å
8V98.7Very high86.4Confident0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-129.3130.1-179.6-178.70000109.5V10 V57 K58 T59 A60 V142 V144 A270 A274V8-V10 HydrophobicContact CG1-CG2 4.02Å; V8-V57 HydrophobicContact CG2-CG2 4.01Å; V8-K58 PolarHBondContact N-O 2.9Å; V8-T59 HydrophobicContact CB-CG2 4.18Å; V8-T59 VanDerWaalsContact O-CA 3.24Å; V8-T59 WeakPolarHBondContact O-CA 3.43Å; V8-A60 PolarHBondContact O-N 3.25Å; V8-A60 VanDerWaalsContact O-N 3.15Å; V8-V142 WeakPolarHBondContact CA-O 3.39Å; V8-V142 HydrophobicContact CG2-CB 4.41Å; V8-V144 HydrophobicContact CG1-CG2 3.98Å; V8-A270 HydrophobicContact CG1-CB 4Å; V8-A270 HydrophobicContact CG2-CB 4.13Å; V8-A274 HydrophobicContact CG2-CB 3.91Å
9V98.9Very high86.7Confident0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-113.4131168.6171.10000108.2F6 V11 A60 I62 I137 A140 V142 L143 V144F6-V9 HydrophobicContact CB-CG2 3.83Å; F6-V9 HydrophobicContact CD2-CG2 4.18Å; F6-V9 HydrophobicContact CG-CG2 4.25Å; V9-V11 HydrophobicContact CG1-CG2 4.48Å; V9-A60 HydrophobicContact CG2-CB 4.42Å; V9-I62 HydrophobicContact CG1-CD1 3.39Å; V9-I62 HydrophobicContact CG1-CG1 3.98Å; V9-I137 HydrophobicContact CG1-CG1 4.44Å; V9-A140 HydrophobicContact CB-CB 4.06Å; V9-A140 HydrophobicContact CG2-CB 3.6Å; V9-V142 PolarHBondContact N-O 2.96Å; V9-L143 HydrophobicContact CG1-CD1 4.42Å; V9-L143 CarbonylContact O-C 3.42Å; V9-L143 VanDerWaalsContact O-CA 3.27Å; V9-L143 WeakPolarHBondContact O-CA 3.47Å; V9-V144 PolarHBondContact O-N 3.42Å
10V98.9Very high86.9Confident0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-113.4126175.9-174.20000109.3V8 G45 C49 A60 M61 I62 V144V8-V10 HydrophobicContact CG1-CG2 4.02Å; V10-G45 WeakPolarHBondContact CG1-O 3.44Å; V10-C49 HydrophobicContact CB-CB 3.93Å; V10-C49 HydrophobicContact CG1-CB 4.43Å; V10-C49 HydrophobicContact CG2-CB 3.6Å; V10-A60 PolarHBondContact N-O 3.14Å; V10-M61 HydrophobicContact CB-SD 3.9Å; V10-M61 HydrophobicContact CG1-CE 4.24Å; V10-M61 HydrophobicContact CG1-SD 4.05Å; V10-I62 PolarHBondContact O-N 2.89Å; V10-V144 WeakPolarHBondContact CA-O 3.4Å; V10-V144 HydrophobicContact CG1-CB 4.3Å; V10-V144 HydrophobicContact CG2-CB 4.09Å; V10-V144 HydrophobicContact CG2-CG2 4.31Å
11V98.9Very high87Confident0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-109.3109.2172-176.10000107.4V9 I62 L125 L130 L143 V144 I149 A157V9-V11 HydrophobicContact CG1-CG2 4.48Å; V11-I62 WeakPolarHBondContact CA-O 2.93Å; V11-I62 HydrophobicContact CB-CB 4.32Å; V11-I62 HydrophobicContact CB-CG2 4.39Å; V11-I62 HydrophobicContact CG1-CB 4.41Å; V11-I62 HydrophobicContact CG1-CG2 3.98Å; V11-I62 HydrophobicContact CG2-CB 3.84Å; V11-I62 HydrophobicContact CG2-CD1 3.77Å; V11-I62 HydrophobicContact CG2-CG1 4.32Å; V11-I62 HydrophobicContact CG2-CG2 3.98Å; V11-L125 HydrophobicContact CG1-CD2 4.06Å; V11-L130 HydrophobicContact CG1-CD2 3.82Å; V11-L143 HydrophobicContact CG2-CD1 3.96Å; V11-V144 PolarHBondContact N-O 3.12Å; V11-I149 HydrophobicContact CG1-CD1 4.04Å; V11-A157 HydrophobicContact CB-CB 4.06Å; V11-A157 HydrophobicContact CG1-CB 3.96Å; V11-A157 HydrophobicContact CG2-CB 3.9Å
12G98.6Very high89.1Confident1 Ų129.2 Ų29.21%0.0116%0.161CC..  trans-179.1-161.5-170.700000114.8M61 I62 C63G12-M61 WeakPolarHBondContact O-CE 3.34Å; G12-I62 PolarHBondContact N-O 3.15Å; G12-C63 WeakPolarHBondContact O-CB 3.33Å
13S98.4Very high91.4Very high0 Ų029.5 Ų29.50%016%0.161CC..  trans-88.5158.5-16854.90000114.3K44 G45 A46 N122 E148S13-K44 PolarHBondContact OG-N 3.4Å; S13-G45 PolarHBondContact OG-N 2.76Å; S13-A46 PolarHBondContact O-N 3.41Å; S13-N122 WeakPolarHBondContact CA-OD1 3.45Å; S13-E148 WeakPolarHBondContact CB-OE2 3.38Å; S13-E148 WeakPolarHBondContact OG-CB 3.39Å; S13-E148 PolarHBondContact OG-OE2 3.23Å
14C98.4Very high93.2Very high0 Ų028.6 Ų28.60%015%0.149CC..  trans-131.4127165-66.30000108.5C63 V65 Y74 F78 N122C14-C63 PolarHBondContact SG-SG 3.27Å; C14-V65 HydrophobicContact CB-CG1 3.74Å; C14-Y74 WeakPolarHBondContact CA-OH 3.39Å; C14-Y74 HydrophobicContact CB-CD1 4.01Å; C14-Y74 HydrophobicContact CB-CD2 4.12Å; C14-Y74 HydrophobicContact CB-CE1 3.66Å; C14-Y74 HydrophobicContact CB-CE2 3.76Å; C14-Y74 HydrophobicContact CB-CG 4.21Å; C14-Y74 VanDerWaalsContact CB-CZ 3.49Å; C14-F78 VanDerWaalsContact SG-CZ 3.53Å; C14-N122 PolarHBondContact N-OD1 2.91Å; C14-N122 PolarHBondContact O-ND2 3.27Å; C14-N122 PolarHBondContact O-OD1 3.2Å
15M97.3Very high94.5Very high7 Ų723.4 Ų23.43%0.03413%0.132CC..EExtended strand (participates in β ladder)trans-132.2129-177.8-64.2-67.3-70.800110.1G42 Y74 G97 A98 A99 I117 N122M15-G42 CarbonylContact O-C 3.56Å; M15-G42 WeakPolarHBondContact O-CA 3.37Å; M15-G42 PolarHBondContact O-N 2.98Å; M15-Y74 PolarHBondContact N-OH 2.79Å; M15-Y74 WeakPolarHBondContact O-CE2 3.47Å; M15-Y74 PolarHBondContact O-OH 3Å; M15-G97 CarbonylContact C-O 3.5Å; M15-G97 WeakPolarHBondContact CA-O 3.38Å; M15-G97 VanDerWaalsContact SD-C 3.59Å; M15-G97 VanDerWaalsContact SD-CA 3.59Å; M15-A98 WeakPolarHBondContact CE-O 3.34Å; M15-A99 HydrophobicContact CE-CB 4.18Å; M15-I117 HydrophobicContact CE-CB 4.28Å; M15-I117 HydrophobicContact CE-CG1 4.2Å; M15-I117 HydrophobicContact CE-CG2 3.61Å; M15-N122 PolarHBondContact SD-ND2 3.03Å
16T97.8Very high94.7Very high2 Ų223.3 Ų23.31%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-83119.7169.4-56.20000108.4L18 I39 F70 G97 A98 A99T16-L18 HydrophobicContact CG2-CD2 3.89Å; T16-L18 HydrophobicContact CG2-CG 4.42Å; T16-I39 HydrophobicContact CG2-CG2 3.56Å; T16-F70 HydrophobicContact CG2-CD1 3.74Å; T16-F70 HydrophobicContact CG2-CE1 3.97Å; T16-F70 HydrophobicContact CG2-CG 4.13Å; T16-G97 PolarHBondContact N-O 2.88Å; T16-A98 CarbonylContact O-C 3.53Å; T16-A98 VanDerWaalsContact O-CA 3.27Å; T16-A98 WeakPolarHBondContact O-CA 3.31Å; T16-A99 PolarHBondContact O-N 3.49Å
17D93.5Very high94.5Very high18 Ų1830 Ų3010%0.09616%0.156CC..EExtended strand (participates in β ladder)trans-86.8118.6178.5-64.6-21.8000108.6V19 I39 G40 G42 I101D17-V19 HydrophobicContact CB-CG2 4.3Å; D17-I39 CarbonylContact O-C 3.59Å; D17-I39 WeakPolarHBondContact O-CA 3.36Å; D17-G40 PolarHBondContact N-O 3.48Å; D17-G40 PolarHBondContact O-N 3.18Å; D17-G42 VanDerWaalsContact OD2-CA 3.26Å; D17-G42 WeakPolarHBondContact OD2-CA 3.35Å; D17-G42 PolarHBondContact OD2-N 3.02Å; D17-I101 HydrophobicContact CB-CD1 4.18Å
18L94.4Very high94.3Very high33 Ų3334 Ų3417%0.17319%0.192CC..EExtended strand (participates in β ladder)trans-108.892.4-179.7-58174.3000108.3T16 F37 I39 F70 A98 A99 I101T16-L18 HydrophobicContact CG2-CD2 3.89Å; T16-L18 HydrophobicContact CG2-CG 4.42Å; L18-F37 HydrophobicContact CB-CE2 4.28Å; L18-F37 HydrophobicContact CB-CZ 4.32Å; L18-F37 HydrophobicContact CD2-CZ 4.17Å; L18-I39 HydrophobicContact CD2-CD1 4.41Å; L18-I39 HydrophobicContact CD2-CG1 4.11Å; L18-I39 HydrophobicContact CD2-CG2 4.26Å; L18-F70 HydrophobicContact CD2-CE1 4.34Å; L18-F70 HydrophobicContact CD2-CZ 4.04Å; L18-A98 HydrophobicContact CD1-CB 4.29Å; L18-A99 PolarHBondContact N-O 3.28Å; L18-I101 PolarHBondContact O-N 3.08Å
19V90.5Very high94Very high12 Ų1238.3 Ų38.37%0.07324%0.237CC..EExtended strand (participates in β ladder)trans-101.4121.5-168.3-168.30000111.3D17 F37 F38 I101 V103D17-V19 HydrophobicContact CB-CG2 4.3Å; V19-F37 WeakPolarHBondContact O-CA 3.36Å; V19-F37 VanDerWaalsContact O-CD2 3.25Å; V19-F37 WeakPolarHBondContact O-CD2 3.39Å; V19-F38 HydrophobicContact CB-CD1 4.15Å; V19-F38 HydrophobicContact CB-CD2 4.02Å; V19-F38 HydrophobicContact CB-CE1 3.77Å; V19-F38 HydrophobicContact CB-CE2 3.63Å; V19-F38 HydrophobicContact CB-CG 4.28Å; V19-F38 HydrophobicContact CB-CZ 3.5Å; V19-F38 HydrophobicContact CG1-CD1 4.44Å; V19-F38 HydrophobicContact CG1-CE1 3.64Å; V19-F38 HydrophobicContact CG1-CE2 4.08Å; V19-F38 HydrophobicContact CG1-CZ 3.43Å; V19-F38 VanDerWaalsContact CG1-CZ 3.43Å; V19-F38 HydrophobicContact CG2-CD2 4.12Å; V19-F38 HydrophobicContact CG2-CE2 3.56Å; V19-F38 HydrophobicContact CG2-CZ 3.83Å; V19-F38 PolarHBondContact N-O 2.96Å; V19-F38 PolarHBondContact O-N 3.05Å; V19-I101 CarbonylContact C-O 3.59Å; V19-I101 WeakPolarHBondContact CA-O 3.49Å; V19-I101 HydrophobicContact CG1-CB 4.39Å; V19-I101 HydrophobicContact CG1-CG2 4.25Å; V19-I101 HydrophobicContact CG2-CB 4.2Å; V19-I101 HydrophobicContact CG2-CD1 4.11Å; V19-V103 HydrophobicContact CG1-CG2 4.02Å
20S91.5Very high93.9Very high46 Ų4642 Ų4232%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-109.4123.5172-58.40000110.1I101 T102 V103S20-I101 PolarHBondContact N-O 2.9Å; S20-T102 WeakPolarHBondContact O-CA 3.44Å; S20-V103 PolarHBondContact O-N 3.32Å
21Q88.3Confident93.8Very high58 Ų5848.4 Ų48.427%0.27129%0.293SS..EExtended strand (participates in β ladder)trans-95.2131.2171.9-61.4-173.3-44.900110.3G34 H35 K36 F38Q21-G34 CarbonylContact O-C 3.55Å; Q21-G34 WeakPolarHBondContact O-CA 3.26Å; Q21-H35 WeakPolarHBondContact CB-NE2 3.03Å; Q21-H35 PolarHBondContact O-CE1 3.13Å; Q21-H35 PolarHBondContact O-N 2.63Å; Q21-H35 PolarHBondContact O-ND1 3.2Å; Q21-K36 HydrophobicContact CB-CB 4.19Å; Q21-K36 HydrophobicContact CG-CB 4.44Å; Q21-K36 PolarHBondContact N-O 3.16Å; Q21-K36 VanDerWaalsContact OE1-CD 3.3Å; Q21-F38 HydrophobicContact CG-CE1 4.26Å
22A90.1Very high93.6Very high3 Ų350.5 Ų50.53%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-142.7156.5-172.900000111.6R24 I32 H35 T102 V103 N104 D105A22-R24 PolarHBondContact O-N 3.45Å; A22-R24 VanDerWaalsContact O-N 3.13Å; A22-I32 HydrophobicContact CB-CD1 3.81Å; A22-H35 PolarHBondContact N-CE1 3.46Å; A22-T102 HydrophobicContact CB-CG2 4.31Å; A22-V103 PolarHBondContact N-O 3.15Å; A22-N104 CarbonylContact O-C 3.36Å; A22-N104 WeakPolarHBondContact O-CA 3.29Å; A22-D105 PolarHBondContact O-N 3.09Å
23P88.8Confident93.4Very high78 Ų7858.6 Ų58.651%0.50634%0.341SS..SBendtrans-62.9-23.1-179.724.7-35.1000114.2D105P23-D105 VanDerWaalsContact CA-OD2 3.26Å; P23-D105 WeakPolarHBondContact CA-OD2 3.45Å
24R89.6Confident93.1Very high98 Ų9860.9 Ų60.937%0.3737%0.365SS..SBendtrans-159.4166176.658.9175.9-176.882.8-10.7109.3A22 E30 I32A22-R24 PolarHBondContact O-N 3.45Å; A22-R24 VanDerWaalsContact O-N 3.13Å; R24-E30 IonicContact CZ-OE1 2.83Å; R24-E30 IonicContact CZ-OE2 2.77Å; R24-E30 IonicContact NH1-OE1 3.82Å; R24-E30 IonicContact NH1-OE2 2.67Å; R24-E30 PolarHBondContact NH1-OE2 3.3Å; R24-E30 VanDerWaalsContact NH2-CD 3.27Å; R24-E30 IonicContact NH2-OE1 3.44Å; R24-E30 PolarHBondContact NH2-OE1 2.99Å; R24-E30 IonicContact NH2-OE2 3.24Å; R24-E30 PolarHBondContact NH2-OE2 2.95Å; R24-E30 VanDerWaalsContact NH2-OE2 3.09Å; R24-I32 WeakPolarHBondContact O-CD1 3.29Å
25L89.6Confident92.6Very high40 Ų4066 Ų6621%0.20939%0.388CS..PPolyproline II helixtrans-68.6141.9167.4-60.2180000110.3T102 N104 E112 A114L25-T102 HydrophobicContact CD2-CG2 3.83Å; L25-T102 WeakPolarHBondContact CD2-O 3.43Å; L25-N104 HydrophobicContact CG-CB 4.43Å; L25-E112 HydrophobicContact CD1-CB 3.83Å; L25-A114 HydrophobicContact CD1-CB 4.35Å; L25-A114 HydrophobicContact CD2-CB 4.18Å
26P90.9Very high92.2Very high57 Ų5771.5 Ų71.537%0.3741%0.412SS..PPolyproline II helixtrans-70.2142.2172.529.7-33.4000110.2I32P26-I32 HydrophobicContact CB-CD1 4.14Å; P26-I32 HydrophobicContact CB-CG1 4.31Å; P26-I32 HydrophobicContact CG-CD1 4.49Å
27K93.2Very high91.9Very high152 Ų15277 Ų7766%0.66144%0.436SS*.PPolyproline II helixtrans-85.5166.4167.4-59.4177179.8178.50110G29 E30K27-G29 PolarHBondContact O-N 2.97Å; K27-E30 HydrophobicContact CB-CG 4.11Å; K27-E30 VanDerWaalsContact CB-OE2 3.29Å; K27-E30 WeakPolarHBondContact CB-OE2 3.4Å; K27-E30 WeakPolarHBondContact CG-OE2 3.36Å; K27-E30 PolarHBondContact N-OE2 3.38Å; K27-E30 WeakPolarHBondContact O-CB 3.24Å; K27-E30 PolarHBondContact O-N 3.11Å
28A93.4Very high91.7Very high110 Ų11079.6 Ų79.691%0.90945%0.447SS*.THydrogen-bonded Turntrans-53.4123.8176.700000111.3
29G93.7Very high91.7Very high90 Ų9082.3 Ų82.393%0.92846%0.461SS*.THydrogen-bonded Turntrans84.3-2.2-179.600000115.7K27K27-G29 PolarHBondContact O-N 2.97Å
30E96.2Very high91.9Very high76 Ų7682.7 Ų82.736%0.35547%0.467SS..  trans-86.9151.5178.1-66.7-172130.600113R24 K27R24-E30 IonicContact CZ-OE1 2.83Å; R24-E30 IonicContact CZ-OE2 2.77Å; R24-E30 IonicContact NH1-OE1 3.82Å; R24-E30 IonicContact NH1-OE2 2.67Å; R24-E30 PolarHBondContact NH1-OE2 3.3Å; R24-E30 VanDerWaalsContact NH2-CD 3.27Å; R24-E30 IonicContact NH2-OE1 3.44Å; R24-E30 PolarHBondContact NH2-OE1 2.99Å; R24-E30 IonicContact NH2-OE2 3.24Å; R24-E30 PolarHBondContact NH2-OE2 2.95Å; R24-E30 VanDerWaalsContact NH2-OE2 3.09Å; K27-E30 HydrophobicContact CB-CG 4.11Å; K27-E30 VanDerWaalsContact CB-OE2 3.29Å; K27-E30 WeakPolarHBondContact CB-OE2 3.4Å; K27-E30 WeakPolarHBondContact CG-OE2 3.36Å; K27-E30 PolarHBondContact N-OE2 3.38Å; K27-E30 WeakPolarHBondContact O-CB 3.24Å; K27-E30 PolarHBondContact O-N 3.11Å
31T95.9Very high92.2Very high135 Ų13583.5 Ų83.583%0.82846%0.464SS*.  trans-119.8128.7163.5-61.90000108
32I94.6Very high92.5Very high45 Ų4580.8 Ų80.823%0.23145%0.452CS..  trans-126.2154.3178.665.9175.6000109.8A22 R24 P26A22-I32 HydrophobicContact CB-CD1 3.81Å; R24-I32 WeakPolarHBondContact O-CD1 3.29Å; P26-I32 HydrophobicContact CB-CD1 4.14Å; P26-I32 HydrophobicContact CB-CG1 4.31Å; P26-I32 HydrophobicContact CG-CD1 4.49Å
33H95.4Very high92.9Very high170 Ų17080.9 Ų80.979%0.78745%0.454SS*.  trans-89.8123.7173.3-68.768.3000109.1
34G92.1Very high93.3Very high49 Ų4979.4 Ų79.451%0.50544%0.439SS..  trans-80.7175.6165.900000111.5Q21Q21-G34 CarbonylContact O-C 3.55Å; Q21-G34 WeakPolarHBondContact O-CA 3.26Å
35H87.6Confident93.7Very high106 Ų10674.8 Ų74.849%0.49142%0.422SS..SBendtrans-125.8-13.518053.9-92.5000113.4Q21 A22 D105Q21-H35 WeakPolarHBondContact CB-NE2 3.03Å; Q21-H35 PolarHBondContact O-CE1 3.13Å; Q21-H35 PolarHBondContact O-N 2.63Å; Q21-H35 PolarHBondContact O-ND1 3.2Å; A22-H35 PolarHBondContact N-CE1 3.46Å; H35-D105 VanDerWaalsContact CE1-CG 3.4Å; H35-D105 IonicContact CE1-OD1 3.44Å; H35-D105 PolarHBondContact CE1-OD1 2.78Å; H35-D105 IonicContact CE1-OD2 3.57Å; H35-D105 PolarHBondContact CE1-OD2 3.05Å; H35-D105 IonicContact ND1-OD2 2.84Å; H35-D105 IonicContact NE2-OD1 3.11Å; H35-D105 PolarHBondContact NE2-OD1 3.41Å
36K89.6Confident94.2Very high124 Ų12472.9 Ų72.954%0.53941%0.412SS..EExtended strand (participates in β ladder)trans-146.7142.6173.2-166.3176.7-178.7-175.30110.9Q21Q21-K36 HydrophobicContact CB-CB 4.19Å; Q21-K36 HydrophobicContact CG-CB 4.44Å; Q21-K36 PolarHBondContact N-O 3.16Å; Q21-K36 VanDerWaalsContact OE1-CD 3.3Å
37F91.1Very high94.6Very high116 Ų11670.4 Ų70.451%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-130.5137.5171.4179.3-99.5000109.1L18 V19 I39L18-F37 HydrophobicContact CB-CE2 4.28Å; L18-F37 HydrophobicContact CB-CZ 4.32Å; L18-F37 HydrophobicContact CD2-CZ 4.17Å; V19-F37 WeakPolarHBondContact O-CA 3.36Å; V19-F37 VanDerWaalsContact O-CD2 3.25Å; V19-F37 WeakPolarHBondContact O-CD2 3.39Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.55Å; F37-I39 HydrophobicContact CZ-CD1 4.48Å; F37-I39 HydrophobicContact CZ-CG1 3.92Å
38F89.9Confident94.8Very high73 Ų7363.2 Ų63.232%0.3236%0.364SS..EExtended strand (participates in β ladder)trans-146.4153.6172.160.4-87.6000111.1V19 Q21V19-F38 HydrophobicContact CB-CD1 4.15Å; V19-F38 HydrophobicContact CB-CD2 4.02Å; V19-F38 HydrophobicContact CB-CE1 3.77Å; V19-F38 HydrophobicContact CB-CE2 3.63Å; V19-F38 HydrophobicContact CB-CG 4.28Å; V19-F38 HydrophobicContact CB-CZ 3.5Å; V19-F38 HydrophobicContact CG1-CD1 4.44Å; V19-F38 HydrophobicContact CG1-CE1 3.64Å; V19-F38 HydrophobicContact CG1-CE2 4.08Å; V19-F38 HydrophobicContact CG1-CZ 3.43Å; V19-F38 VanDerWaalsContact CG1-CZ 3.43Å; V19-F38 HydrophobicContact CG2-CD2 4.12Å; V19-F38 HydrophobicContact CG2-CE2 3.56Å; V19-F38 HydrophobicContact CG2-CZ 3.83Å; V19-F38 PolarHBondContact N-O 2.96Å; V19-F38 PolarHBondContact O-N 3.05Å; Q21-F38 HydrophobicContact CG-CE1 4.26Å
39I94Very high95.1Very high91 Ų9158 Ų5847%0.46732%0.321SS..EExtended strand (participates in β ladder)trans-108.8129178.5-55.9179000107.4T16 D17 L18 F37 F70T16-I39 HydrophobicContact CG2-CG2 3.56Å; D17-I39 CarbonylContact O-C 3.59Å; D17-I39 WeakPolarHBondContact O-CA 3.36Å; L18-I39 HydrophobicContact CD2-CD1 4.41Å; L18-I39 HydrophobicContact CD2-CG1 4.11Å; L18-I39 HydrophobicContact CD2-CG2 4.26Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.55Å; F37-I39 HydrophobicContact CZ-CD1 4.48Å; F37-I39 HydrophobicContact CZ-CG1 3.92Å; I39-F70 HydrophobicContact CD1-CE1 4.36Å
40G94.5Very high95.3Very high19 Ų1953.7 Ų53.720%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-122.3170.4176.400000112.2D17D17-G40 PolarHBondContact N-O 3.48Å; D17-G40 PolarHBondContact O-N 3.18Å
41F97.4Very high95.5Very high63 Ų6350.1 Ų50.128%0.27626%0.26SS..EExtended strand (participates in β ladder)trans-106.9122.9170-59.9-74.2000108.4N73 Y74 N77 Q302F41-N73 HydrophobicContact CE1-CB 4.18Å; F41-N73 HydrophobicContact CZ-CB 4.18Å; F41-Y74 AromaticContact CD1-CD2 3.84Å; F41-Y74 HydrophobicContact CD1-CD2 3.84Å; F41-Y74 AromaticContact CD1-CE2 3.94Å; F41-Y74 HydrophobicContact CD1-CE2 3.94Å; F41-Y74 HydrophobicContact CD1-CG 4.17Å; F41-Y74 HydrophobicContact CE1-CD2 4.33Å; F41-Y74 HydrophobicContact CE1-CG 4.48Å; F41-N77 HydrophobicContact CD1-CB 4.12Å; F41-N77 HydrophobicContact CD2-CB 3.92Å; F41-N77 VanDerWaalsContact CD2-CG 3.48Å; F41-N77 HydrophobicContact CE1-CB 3.94Å; F41-N77 HydrophobicContact CE2-CB 3.74Å; F41-N77 HydrophobicContact CG-CB 4.12Å; F41-N77 WeakPolarHBondContact CG-ND2 3.41Å; F41-N77 HydrophobicContact CZ-CB 3.75Å; F41-Q302 VanDerWaalsContact O-CD 3.23Å; F41-Q302 VanDerWaalsContact O-CG 3.31Å; F41-Q302 WeakPolarHBondContact O-CG 3.42Å; F41-Q302 PolarHBondContact O-NE2 3Å
42G95.9Very high95.6Very high1 Ų143.7 Ų43.71%0.0122%0.221CC..  trans-121.4-138.7-177.400000111.8M15 D17 A46 N47 Y74 Q302M15-G42 CarbonylContact O-C 3.56Å; M15-G42 WeakPolarHBondContact O-CA 3.37Å; M15-G42 PolarHBondContact O-N 2.98Å; D17-G42 VanDerWaalsContact OD2-CA 3.26Å; D17-G42 WeakPolarHBondContact OD2-CA 3.35Å; D17-G42 PolarHBondContact OD2-N 3.02Å; G42-A46 WeakPolarHBondContact O-CB 3.49Å; G42-N47 VanDerWaalsContact C-OD1 3.32Å; G42-N47 PolarHBondContact O-OD1 3.21Å; G42-N47 VanDerWaalsContact O-OD1 3.12Å; G42-Y74 PolarHBondContact O-OH 2.85Å; G42-Q302 PolarHBondContact O-NE2 2.85Å
43G96.8Very high95.8Very high6 Ų642.1 Ų42.16%0.06221%0.214CC..  trans72.6118.8178.400000112.4G45 A46 N47G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 3.22Å; G43-G45 VanDerWaalsContact O-N 3.16Å; G43-A46 PolarHBondContact O-N 3.21Å; G43-A46 VanDerWaalsContact O-N 3.1Å; G43-N47 WeakPolarHBondContact O-CB 3.4Å; G43-N47 PolarHBondContact O-N 3.07Å; G43-N47 PolarHBondContact O-ND2 2.88Å; G43-N47 PolarHBondContact O-OD1 3.05Å
44K98.1Very high95.9Very high47 Ų4735.4 Ų35.420%0.20418%0.182CC..Hα-helixtrans-54.4-42.9-172.2-66.6176.2178.2-71.70112.4S13 N47 Q48 Q146 E148 A173S13-K44 PolarHBondContact OG-N 3.4Å; K44-N47 PolarHBondContact O-N 3.16Å; K44-Q48 WeakPolarHBondContact O-CB 3.3Å; K44-Q48 WeakPolarHBondContact O-CG 3.5Å; K44-Q48 PolarHBondContact O-N 2.93Å; K44-Q146 HydrophobicContact CB-CB 4.3Å; K44-Q146 HydrophobicContact CB-CG 3.9Å; K44-E148 HydrophobicContact CD-CG 4.06Å; K44-E148 HydrophobicContact CG-CG 4.44Å; K44-E148 PolarHBondContact N-OE2 3.36Å; K44-A173 HydrophobicContact CD-CB 3.7Å; K44-A173 WeakPolarHBondContact CD-O 3.41Å
45G98.7Very high96.3Very high0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-60.3-52.4177.900000112.6V10 S13 G43 N47 Q48 C49V10-G45 WeakPolarHBondContact CG1-O 3.44Å; S13-G45 PolarHBondContact OG-N 2.76Å; G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 3.22Å; G43-G45 VanDerWaalsContact O-N 3.16Å; G45-N47 PolarHBondContact O-N 3.08Å; G45-Q48 PolarHBondContact O-N 2.71Å; G45-C49 VanDerWaalsContact O-CB 3.29Å; G45-C49 WeakPolarHBondContact O-CB 3.34Å; G45-C49 PolarHBondContact O-N 3.37Å
46A98.8Very high96.7Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-60.9-43.2177.200000112.5S13 G42 G43 C49 I50 Y74 F78S13-A46 PolarHBondContact O-N 3.41Å; G42-A46 WeakPolarHBondContact O-CB 3.49Å; G43-A46 PolarHBondContact O-N 3.21Å; G43-A46 VanDerWaalsContact O-N 3.1Å; A46-C49 PolarHBondContact O-N 3.06Å; A46-I50 WeakPolarHBondContact O-CB 3.29Å; A46-I50 WeakPolarHBondContact O-CG1 3.37Å; A46-I50 PolarHBondContact O-N 2.86Å; A46-Y74 HydrophobicContact CB-CE1 3.64Å; A46-Y74 WeakPolarHBondContact CB-OH 3.42Å; A46-F78 HydrophobicContact CB-CE1 3.82Å; A46-F78 HydrophobicContact CB-CZ 3.73Å
47N98.8Very high97.1Very high6 Ų625 Ų253%0.03214%0.138CC..Hα-helixtrans-58.7-51.1178.6-68.7-14.1000111.7G42 G43 K44 G45 C49 I50 Q51 D263 T301 Q302 F305G42-N47 VanDerWaalsContact C-OD1 3.32Å; G42-N47 PolarHBondContact O-OD1 3.21Å; G42-N47 VanDerWaalsContact O-OD1 3.12Å; G43-N47 WeakPolarHBondContact O-CB 3.4Å; G43-N47 PolarHBondContact O-N 3.07Å; G43-N47 PolarHBondContact O-ND2 2.88Å; G43-N47 PolarHBondContact O-OD1 3.05Å; K44-N47 PolarHBondContact O-N 3.16Å; G45-N47 PolarHBondContact O-N 3.08Å; N47-C49 VanDerWaalsContact C-N 3.32Å; N47-C49 PolarHBondContact O-N 3.24Å; N47-I50 PolarHBondContact O-N 3.42Å; N47-Q51 PolarHBondContact O-N 3.36Å; N47-D263 HydrophobicContact CB-CB 3.46Å; N47-D263 VanDerWaalsContact CB-CB 3.46Å; N47-D263 PolarHBondContact ND2-OD2 3.1Å; N47-T301 WeakPolarHBondContact ND2-CG2 3.37Å; N47-Q302 WeakPolarHBondContact OD1-CG 3.34Å; N47-Q302 PolarHBondContact OD1-NE2 2.78Å; N47-F305 HydrophobicContact CB-CE2 3.76Å; N47-F305 HydrophobicContact CB-CZ 3.97Å; N47-F305 VanDerWaalsContact O-CE2 3.31Å; N47-F305 WeakPolarHBondContact O-CE2 3.26Å
48Q98.9Very high97.4Very high1 Ų122.5 Ų22.51%0.00513%0.127CC..Hα-helixtrans-63.3-40.3-179.7-67.2168.620.600111.2K44 G45 A52 V144 N171 D263 I266 G267K44-Q48 WeakPolarHBondContact O-CB 3.3Å; K44-Q48 WeakPolarHBondContact O-CG 3.5Å; K44-Q48 PolarHBondContact O-N 2.93Å; G45-Q48 PolarHBondContact O-N 2.71Å; Q48-A52 PolarHBondContact O-N 3.01Å; Q48-A52 VanDerWaalsContact O-N 3.16Å; Q48-V144 VanDerWaalsContact OE1-CG1 3.28Å; Q48-N171 PolarHBondContact NE2-OD1 3.13Å; Q48-D263 HydrophobicContact CG-CB 3.75Å; Q48-D263 WeakPolarHBondContact CG-O 3.31Å; Q48-D263 PolarHBondContact NE2-OD1 3.3Å; Q48-I266 HydrophobicContact CB-CG2 4.38Å; Q48-I266 HydrophobicContact CG-CB 3.98Å; Q48-I266 HydrophobicContact CG-CG2 3.91Å; Q48-G267 VanDerWaalsContact O-CA 3.29Å; Q48-G267 WeakPolarHBondContact O-CA 3.35Å
49C98.9Very high97.8Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-63.9-44.9177.1-1660000112.3V10 G45 A46 N47 A52 A53 M61V10-C49 HydrophobicContact CB-CB 3.93Å; V10-C49 HydrophobicContact CG1-CB 4.43Å; V10-C49 HydrophobicContact CG2-CB 3.6Å; G45-C49 VanDerWaalsContact O-CB 3.29Å; G45-C49 WeakPolarHBondContact O-CB 3.34Å; G45-C49 PolarHBondContact O-N 3.37Å; A46-C49 PolarHBondContact O-N 3.06Å; N47-C49 VanDerWaalsContact C-N 3.32Å; N47-C49 PolarHBondContact O-N 3.24Å; C49-A52 PolarHBondContact O-N 3.4Å; C49-A53 WeakPolarHBondContact O-CB 3.46Å; C49-A53 PolarHBondContact O-N 3.32Å; C49-M61 HydrophobicContact CB-SD 3.88Å
50I98.8Very high98Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-67.9-42.7179.9-76.6170000111.2A46 N47 A52 A53 R54 N77 F78 N81 V83 Q302 F305A46-I50 WeakPolarHBondContact O-CB 3.29Å; A46-I50 WeakPolarHBondContact O-CG1 3.37Å; A46-I50 PolarHBondContact O-N 2.86Å; N47-I50 PolarHBondContact O-N 3.42Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 2.87Å; I50-A53 PolarHBondContact O-N 3.32Å; I50-R54 HydrophobicContact CG2-CG 4.26Å; I50-R54 WeakPolarHBondContact O-CB 3.28Å; I50-R54 WeakPolarHBondContact O-CG 3.17Å; I50-R54 PolarHBondContact O-N 2.85Å; I50-N77 WeakPolarHBondContact CD1-ND2 3.33Å; I50-F78 HydrophobicContact CD1-CD1 4.19Å; I50-F78 HydrophobicContact CD1-CE1 4.23Å; I50-F78 HydrophobicContact CG1-CD1 4.31Å; I50-F78 HydrophobicContact CG1-CE1 4.42Å; I50-N81 HydrophobicContact CD1-CB 4.49Å; I50-N81 HydrophobicContact CG1-CB 4.06Å; I50-N81 HydrophobicContact CG2-CB 4.2Å; I50-V83 HydrophobicContact CG1-CG2 4.01Å; I50-Q302 VanDerWaalsContact CD1-CD 3.45Å; I50-Q302 HydrophobicContact CD1-CG 4.34Å; I50-F305 HydrophobicContact CG2-CD2 4.41Å
51Q98.9Very high98.2Very high0 Ų013.8 Ų13.80%08%0.08CC..Hα-helixtrans-59.4-44.8176177.865.580.800111.2N47 A53 R54 L55 S264 V291 F305 P306N47-Q51 PolarHBondContact O-N 3.36Å; Q51-A53 PolarHBondContact O-N 2.9Å; Q51-R54 PolarHBondContact O-N 3.4Å; Q51-L55 WeakPolarHBondContact O-CG 3.2Å; Q51-L55 PolarHBondContact O-N 3.48Å; Q51-S264 WeakPolarHBondContact CG-O 3.45Å; Q51-S264 PolarHBondContact OE1-OG 3.27Å; Q51-V291 HydrophobicContact CG-CG1 4.45Å; Q51-F305 HydrophobicContact CB-CD2 3.94Å; Q51-F305 HydrophobicContact CB-CE2 4.4Å; Q51-F305 HydrophobicContact CB-CG 4.41Å; Q51-P306 PolarHBondContact NE2-O 3.19Å; Q51-P306 VanDerWaalsContact NE2-O 3.15Å
52A98.8Very high98.3Very high1 Ų110.8 Ų10.81%0.0087%0.067CC..Hα-helixtrans-59.3-47.717600000111.2Q48 C49 I50 R54 L55 G56 V57 T59 G267Q48-A52 PolarHBondContact O-N 3.01Å; Q48-A52 VanDerWaalsContact O-N 3.16Å; C49-A52 PolarHBondContact O-N 3.4Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 2.87Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.17Å; A52-L55 PolarHBondContact O-N 3.49Å; A52-L55 VanDerWaalsContact O-N 3.11Å; A52-G56 PolarHBondContact O-N 2.85Å; A52-V57 HydrophobicContact CB-CG2 3.89Å; A52-V57 WeakPolarHBondContact O-CG2 3.24Å; A52-T59 HydrophobicContact CB-CG2 3.99Å; A52-G267 WeakPolarHBondContact CB-O 3.42Å
53A98.7Very high98.4Very high11 Ų1110.7 Ų10.79%0.0917%0.066CC..Hα-helixtrans-58.1-43.8178.200000112.6C49 I50 Q51 L55 G56 T59 N81 V83C49-A53 WeakPolarHBondContact O-CB 3.46Å; C49-A53 PolarHBondContact O-N 3.32Å; I50-A53 PolarHBondContact O-N 3.32Å; Q51-A53 PolarHBondContact O-N 2.9Å; A53-L55 PolarHBondContact O-N 3.42Å; A53-G56 WeakPolarHBondContact O-CA 3.36Å; A53-G56 PolarHBondContact O-N 3.35Å; A53-T59 HydrophobicContact CB-CG2 3.97Å; A53-N81 WeakPolarHBondContact CB-O 3.44Å; A53-V83 HydrophobicContact CB-CG2 3.79Å
54R98.7Very high98.5Very high29 Ų2911.4 Ų11.411%0.1097%0.067CC..Hα-helixtrans-64.7-24.5178-74-168.6-179174.610.4114I50 Q51 A52 G56 N81 Q302 F305 F307 K308I50-R54 HydrophobicContact CG2-CG 4.26Å; I50-R54 WeakPolarHBondContact O-CB 3.28Å; I50-R54 WeakPolarHBondContact O-CG 3.17Å; I50-R54 PolarHBondContact O-N 2.85Å; Q51-R54 PolarHBondContact O-N 3.4Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.17Å; R54-G56 PolarHBondContact O-N 3.13Å; R54-N81 VanDerWaalsContact CZ-OD1 3.25Å; R54-N81 PolarHBondContact NE-OD1 3.5Å; R54-N81 PolarHBondContact NH2-OD1 3.33Å; R54-Q302 PolarHBondContact NH1-O 3.34Å; R54-Q302 PolarHBondContact NH2-O 3.41Å; R54-Q302 VanDerWaalsContact NH2-O 3.13Å; R54-F305 WeakPolarHBondContact CD-O 3.24Å; R54-F305 PolarHBondContact NH1-O 3.3Å; R54-F307 HydrophobicContact CB-CD1 4.04Å; R54-F307 HydrophobicContact CB-CE1 4.45Å; R54-F307 HydrophobicContact CB-CG 4.4Å; R54-F307 HydrophobicContact CG-CD1 3.77Å; R54-F307 HydrophobicContact CG-CE1 3.67Å; R54-F307 HydrophobicContact CG-CG 4.33Å; R54-F307 HydrophobicContact CG-CZ 4.14Å; R54-F307 WeakPolarHBondContact O-CA 3.34Å; R54-K308 PolarHBondContact O-N 3.4Å
55L98.7Very high98.6Very high0 Ų09.1 Ų9.10%06%0.058CC..THydrogen-bonded Turntrans-79.3-4.1171-62.7175.9000112.9Q51 A52 A53 A268 F271 V291 K308 L311 F316Q51-L55 WeakPolarHBondContact O-CG 3.2Å; Q51-L55 PolarHBondContact O-N 3.48Å; A52-L55 PolarHBondContact O-N 3.49Å; A52-L55 VanDerWaalsContact O-N 3.11Å; A53-L55 PolarHBondContact O-N 3.42Å; L55-A268 HydrophobicContact CD1-CB 3.81Å; L55-F271 HydrophobicContact CB-CB 4.2Å; L55-F271 HydrophobicContact CB-CD1 4.45Å; L55-F271 HydrophobicContact CB-CD2 3.38Å; L55-F271 HydrophobicContact CB-CE2 3.92Å; L55-F271 HydrophobicContact CB-CG 3.76Å; L55-F271 HydrophobicContact CD1-CB 3.76Å; L55-F271 HydrophobicContact CD1-CD1 4.2Å; L55-F271 HydrophobicContact CD1-CD2 4.35Å; L55-F271 HydrophobicContact CD1-CG 3.84Å; L55-F271 HydrophobicContact CG-CG 4.47Å; L55-F271 WeakPolarHBondContact O-CE2 3.43Å; L55-V291 HydrophobicContact CD1-CG1 4.46Å; L55-V291 HydrophobicContact CD2-CG1 4.36Å; L55-V291 HydrophobicContact CD2-CG2 4.4Å; L55-K308 WeakPolarHBondContact O-CD 3Å; L55-L311 HydrophobicContact CD2-CD1 3.39Å; L55-F316 HydrophobicContact CD2-CE1 4.25Å; L55-F316 HydrophobicContact CD2-CZ 4.18Å
56G97.2Very high98.6Very high55 Ų559.1 Ų9.157%0.5676%0.058SC*.THydrogen-bonded Turntrans98.817.9169.100000114.9A52 A53 R54A52-G56 PolarHBondContact O-N 2.85Å; A53-G56 WeakPolarHBondContact O-CA 3.36Å; A53-G56 PolarHBondContact O-N 3.35Å; R54-G56 PolarHBondContact O-N 3.13Å
57V96.8Very high98.6Very high7 Ų716.1 Ų16.14%0.0429%0.088CC..  trans-94.5151173.6-66.50000112D7 V8 A52 T59 F271 H275D7-V57 HydrophobicContact CB-CB 3.84Å; D7-V57 HydrophobicContact CB-CG1 4.35Å; V8-V57 HydrophobicContact CG2-CG2 4.01Å; A52-V57 HydrophobicContact CB-CG2 3.89Å; A52-V57 WeakPolarHBondContact O-CG2 3.24Å; V57-T59 HydrophobicContact CG2-CG2 3.95Å; V57-T59 PolarHBondContact O-N 3.23Å; V57-F271 HydrophobicContact CB-CD2 4.3Å; V57-F271 HydrophobicContact CG1-CD2 3.28Å; V57-F271 HydrophobicContact CG1-CE2 3.61Å; V57-F271 HydrophobicContact CG1-CG 4.25Å; V57-F271 HydrophobicContact CG2-CB 4.48Å; V57-F271 HydrophobicContact CG2-CD2 4.18Å; V57-H275 WeakPolarHBondContact CG1-CD2 3.13Å; V57-H275 WeakPolarHBondContact CG1-NE2 3.3Å
58K98Very high98.6Very high62 Ų6217.8 Ų17.827%0.2710%0.097SC..  trans-80.5110-179.3-170.6-175.2171.2-161.90110.4A5 F6 D7 V8A5-K58 PolarHBondContact O-NZ 3.22Å; F6-K58 HydrophobicContact CD1-CD 4.35Å; F6-K58 HydrophobicContact CD1-CG 4.09Å; D7-K58 PolarHBondContact N-O 3.38Å; D7-K58 PolarHBondContact OD2-N 3.46Å; V8-K58 PolarHBondContact N-O 2.9Å
59T98.6Very high98.5Very high0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-109.2154.3-175.166.20000113.4V8 A52 A53 V57 H84V8-T59 HydrophobicContact CB-CG2 4.18Å; V8-T59 VanDerWaalsContact O-CA 3.24Å; V8-T59 WeakPolarHBondContact O-CA 3.43Å; A52-T59 HydrophobicContact CB-CG2 3.99Å; A53-T59 HydrophobicContact CB-CG2 3.97Å; V57-T59 HydrophobicContact CG2-CG2 3.95Å; V57-T59 PolarHBondContact O-N 3.23Å; T59-H84 WeakPolarHBondContact O-CB 3.24Å; T59-H84 PolarHBondContact O-N 3.01Å; T59-H84 PolarHBondContact O-ND1 3.16Å
60A98.6Very high98.5Very high0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-131.1139.5164.700000110.4F6 V8 V9 V10 H84 F87F6-A60 HydrophobicContact CD1-CB 3.77Å; F6-A60 HydrophobicContact CD2-CB 3.99Å; F6-A60 HydrophobicContact CE1-CB 3.75Å; F6-A60 HydrophobicContact CE2-CB 3.95Å; F6-A60 HydrophobicContact CG-CB 3.91Å; F6-A60 HydrophobicContact CZ-CB 3.83Å; V8-A60 PolarHBondContact O-N 3.25Å; V8-A60 VanDerWaalsContact O-N 3.15Å; V9-A60 HydrophobicContact CG2-CB 4.42Å; V10-A60 PolarHBondContact N-O 3.14Å; A60-H84 HydrophobicContact CB-CB 4.11Å; A60-F87 HydrophobicContact CB-CD2 4.4Å
61M98.8Very high98.5Very high0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-99.3129.1173.3-168.970.9-165.500110.1V10 G12 C49 C63 F78 V83 H84 F87 V88V10-M61 HydrophobicContact CB-SD 3.9Å; V10-M61 HydrophobicContact CG1-CE 4.24Å; V10-M61 HydrophobicContact CG1-SD 4.05Å; G12-M61 WeakPolarHBondContact O-CE 3.34Å; C49-M61 HydrophobicContact CB-SD 3.88Å; M61-C63 HydrophobicContact CE-CB 3.68Å; M61-C63 HydrophobicContact CG-CB 3.94Å; M61-C63 VanDerWaalsContact CG-SG 3.52Å; M61-F78 HydrophobicContact CB-CE1 4.32Å; M61-F78 HydrophobicContact CB-CE2 4.37Å; M61-F78 HydrophobicContact CB-CZ 4.15Å; M61-F78 HydrophobicContact CG-CE1 4.13Å; M61-F78 HydrophobicContact CG-CE2 4.02Å; M61-F78 HydrophobicContact CG-CZ 3.62Å; M61-F78 HydrophobicContact SD-CE1 4.49Å; M61-F78 HydrophobicContact SD-CZ 4.26Å; M61-V83 HydrophobicContact CB-CG1 3.89Å; M61-H84 PolarHBondContact N-O 3.01Å; M61-F87 CarbonylContact O-C 3.58Å; M61-V88 HydrophobicContact CB-CG2 4.11Å; M61-V88 HydrophobicContact CG-CG2 4.47Å
62I98.8Very high98.5Very high0 Ų031.8 Ų31.80%016%0.163CC..EExtended strand (participates in β ladder)trans-108.7100.2170.4-63.6176.6000106.5V9 V10 V11 G12 F87 W89 L130 A133 I137V9-I62 HydrophobicContact CG1-CD1 3.39Å; V9-I62 HydrophobicContact CG1-CG1 3.98Å; V10-I62 PolarHBondContact O-N 2.89Å; V11-I62 WeakPolarHBondContact CA-O 2.93Å; V11-I62 HydrophobicContact CB-CB 4.32Å; V11-I62 HydrophobicContact CB-CG2 4.39Å; V11-I62 HydrophobicContact CG1-CB 4.41Å; V11-I62 HydrophobicContact CG1-CG2 3.98Å; V11-I62 HydrophobicContact CG2-CB 3.84Å; V11-I62 HydrophobicContact CG2-CD1 3.77Å; V11-I62 HydrophobicContact CG2-CG1 4.32Å; V11-I62 HydrophobicContact CG2-CG2 3.98Å; G12-I62 PolarHBondContact N-O 3.15Å; I62-F87 WeakPolarHBondContact CA-O 3.28Å; I62-F87 HydrophobicContact CB-CB 4.43Å; I62-F87 HydrophobicContact CG1-CB 3.78Å; I62-F87 HydrophobicContact CG1-CD2 4.46Å; I62-F87 HydrophobicContact CG1-CG 4.27Å; I62-W89 HydrophobicContact CB-CZ3 4.42Å; I62-W89 HydrophobicContact CG2-CH2 3.79Å; I62-W89 HydrophobicContact CG2-CZ3 3.56Å; I62-L130 HydrophobicContact CG2-CD2 4.06Å; I62-A133 HydrophobicContact CD1-CB 3.52Å; I62-A133 HydrophobicContact CG1-CB 4.02Å; I62-A133 HydrophobicContact CG2-CB 4.45Å; I62-I137 HydrophobicContact CD1-CD1 4.04Å; I62-I137 HydrophobicContact CD1-CG1 3.72Å
63C98.8Very high98.5Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-155.4169.5-176.768.80000111.8G12 C14 M61 F87 V88 W89G12-C63 WeakPolarHBondContact O-CB 3.33Å; C14-C63 PolarHBondContact SG-SG 3.27Å; M61-C63 HydrophobicContact CE-CB 3.68Å; M61-C63 HydrophobicContact CG-CB 3.94Å; M61-C63 VanDerWaalsContact CG-SG 3.52Å; C63-F87 PolarHBondContact N-O 3.28Å; C63-V88 WeakPolarHBondContact O-CA 3.48Å; C63-W89 PolarHBondContact O-N 3.23Å
64K98.8Very high98.5Very high20 Ų2034 Ų349%0.08717%0.173CC..EExtended strand (participates in β ladder)trans-130.3126.4176.4-170.8174-75.1-179.30110.7W89 T91 A121 N122 R124 L125 E129K64-W89 CarbonylContact C-O 3.47Å; K64-W89 WeakPolarHBondContact CA-O 3.2Å; K64-W89 HydrophobicContact CB-CB 4.41Å; K64-W89 HydrophobicContact CG-CB 4.06Å; K64-T91 HydrophobicContact CD-CG2 3.97Å; K64-T91 HydrophobicContact CG-CG2 4.09Å; K64-A121 HydrophobicContact CG-CB 4.47Å; K64-A121 CarbonylContact O-C 3.56Å; K64-A121 WeakPolarHBondContact O-CB 3.4Å; K64-N122 PolarHBondContact O-N 3.27Å; K64-R124 HydrophobicContact CD-CB 3.65Å; K64-R124 WeakPolarHBondContact CD-O 3.23Å; K64-R124 WeakPolarHBondContact CE-O 2.76Å; K64-R124 PolarHBondContact NZ-O 3.4Å; K64-L125 HydrophobicContact CB-CB 4.16Å; K64-L125 HydrophobicContact CB-CD1 4.32Å; K64-E129 VanDerWaalsContact CE-CD 3.47Å; K64-E129 WeakPolarHBondContact CE-OE1 3.45Å; K64-E129 IonicContact NZ-OE1 3.72Å; K64-E129 PolarHBondContact NZ-OE1 3.41Å; K64-E129 IonicContact NZ-OE2 2.71Å; K64-E129 PolarHBondContact NZ-OE2 2.86Å
65V98.9Very high98.5Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-113.7171.2176.4-59.60000110.4C14 I75 V88 W89 Q90 T91 T96 A121C14-V65 HydrophobicContact CB-CG1 3.74Å; V65-I75 HydrophobicContact CG2-CD1 4.25Å; V65-I75 HydrophobicContact CG2-CG1 4.45Å; V65-V88 HydrophobicContact CG2-CG1 4.32Å; V65-W89 PolarHBondContact N-O 3.24Å; V65-Q90 HydrophobicContact CG2-CG 3.85Å; V65-Q90 CarbonylContact O-C 3.56Å; V65-Q90 VanDerWaalsContact O-CA 3.27Å; V65-Q90 WeakPolarHBondContact O-CA 3.39Å; V65-T91 PolarHBondContact O-N 3.49Å; V65-T96 HydrophobicContact CB-CG2 4.12Å; V65-T96 HydrophobicContact CG1-CG2 4.26Å; V65-A121 WeakPolarHBondContact O-CB 3.47Å
66G98.8Very high98.5Very high0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-72.2154.1173.700000111.3D68 Q90 T91 A94 T96G66-D68 PolarHBondContact O-N 3.31Å; G66-Q90 PolarHBondContact O-NE2 2.79Å; G66-T91 CarbonylContact C-O 3.35Å; G66-A94 WeakPolarHBondContact CA-O 3.49Å; G66-T96 WeakPolarHBondContact CA-OG1 3.27Å; G66-T96 PolarHBondContact N-OG1 3.02Å
67K98.7Very high98.5Very high146 Ų14636 Ų3664%0.63517%0.169SC*.SBendtrans-81.665.1164.5-166178.9-178.5178.80108.7Q90 T91K67-Q90 HydrophobicContact CB-CB 4.2Å; K67-T91 PolarHBondContact N-O 2.79Å
68D98.6Very high98.6Very high42 Ų4235.6 Ų35.623%0.22517%0.167CC..SBendtrans-143.2174.6-17560.538.2000111G66 F70 G71 D72 A95 T96G66-D68 PolarHBondContact O-N 3.31Å; D68-F70 PolarHBondContact O-N 3.2Å; D68-F70 WeakPolarHBondContact OD1-CB 3.39Å; D68-F70 PolarHBondContact OD1-N 3.18Å; D68-F70 VanDerWaalsContact OD1-N 3.08Å; D68-G71 PolarHBondContact O-N 3.15Å; D68-G71 VanDerWaalsContact O-N 3.14Å; D68-G71 PolarHBondContact OD1-N 3.02Å; D68-D72 PolarHBondContact O-N 2.57Å; D68-A95 VanDerWaalsContact OD2-CA 3.26Å; D68-A95 WeakPolarHBondContact OD2-CA 3.44Å; D68-T96 PolarHBondContact OD1-OG1 3.46Å; D68-T96 PolarHBondContact OD2-N 3.32Å; D68-T96 PolarHBondContact OD2-OG1 2.85Å
69F98.1Very high98.7Very high143 Ų14337.7 Ų37.763%0.62718%0.176SC*.Hα-helixtrans-56-37.8-179.7178-100.2000112.7N73F69-N73 VanDerWaalsContact CD1-ND2 3.34Å; F69-N73 WeakPolarHBondContact CD1-ND2 3.24Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.27Å; F69-N73 VanDerWaalsContact CE2-ND2 3.34Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.32Å; F69-N73 WeakPolarHBondContact CZ-ND2 2.97Å; F69-N73 PolarHBondContact O-N 3.06Å; F69-N73 VanDerWaalsContact O-N 3.16Å; F69-N73 PolarHBondContact O-ND2 2.81Å
70F98.4Very high98.6Very high63 Ų6342.8 Ų42.828%0.27620%0.203SC..Hα-helixtrans-69.7-39.8179.5-66.4-43.5000111.7T16 L18 I39 D68 N73 Y74 T96T16-F70 HydrophobicContact CG2-CD1 3.74Å; T16-F70 HydrophobicContact CG2-CE1 3.97Å; T16-F70 HydrophobicContact CG2-CG 4.13Å; L18-F70 HydrophobicContact CD2-CE1 4.34Å; L18-F70 HydrophobicContact CD2-CZ 4.04Å; I39-F70 HydrophobicContact CD1-CE1 4.36Å; D68-F70 PolarHBondContact O-N 3.2Å; D68-F70 WeakPolarHBondContact OD1-CB 3.39Å; D68-F70 PolarHBondContact OD1-N 3.18Å; D68-F70 VanDerWaalsContact OD1-N 3.08Å; F70-N73 PolarHBondContact O-N 2.8Å; F70-Y74 WeakPolarHBondContact O-CB 3.42Å; F70-Y74 PolarHBondContact O-N 3.02Å; F70-T96 HydrophobicContact CB-CG2 4.04Å
71G98.8Very high98.6Very high0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-64.8-43.4177.700000112.3D68 N73 Y74 I75 T96D68-G71 PolarHBondContact O-N 3.15Å; D68-G71 VanDerWaalsContact O-N 3.14Å; D68-G71 PolarHBondContact OD1-N 3.02Å; G71-N73 PolarHBondContact O-N 3.3Å; G71-Y74 WeakPolarHBondContact O-CB 3.35Å; G71-Y74 PolarHBondContact O-N 2.92Å; G71-I75 WeakPolarHBondContact O-CG1 3.43Å; G71-I75 PolarHBondContact O-N 2.93Å; G71-T96 VanDerWaalsContact CA-OG1 3.27Å; G71-T96 WeakPolarHBondContact CA-OG1 3.43Å; G71-T96 PolarHBondContact N-OG1 3.48Å
72D98.7Very high98.6Very high89 Ų8949.7 Ų49.748%0.47624%0.24SC..Hα-helixtrans-61.9-44.4176.9-68.7-17.5000111.6D68 Y74 I75 Q76 Q90D68-D72 PolarHBondContact O-N 2.57Å; D72-Y74 VanDerWaalsContact C-N 3.32Å; D72-Y74 PolarHBondContact O-N 3.23Å; D72-I75 PolarHBondContact O-N 2.9Å; D72-Q76 PolarHBondContact O-N 2.98Å; D72-Q76 VanDerWaalsContact O-N 3.1Å; D72-Q90 PolarHBondContact OD1-NE2 2.86Å
73N98.5Very high98.6Very high59 Ų5949.9 Ų49.932%0.31624%0.242SC..Hα-helixtrans-65.2-35.1175.2-76.8-61.2000112.5F41 F69 F70 G71 Q76 N77F41-N73 HydrophobicContact CE1-CB 4.18Å; F41-N73 HydrophobicContact CZ-CB 4.18Å; F69-N73 VanDerWaalsContact CD1-ND2 3.34Å; F69-N73 WeakPolarHBondContact CD1-ND2 3.24Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.27Å; F69-N73 VanDerWaalsContact CE2-ND2 3.34Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.32Å; F69-N73 WeakPolarHBondContact CZ-ND2 2.97Å; F69-N73 PolarHBondContact O-N 3.06Å; F69-N73 VanDerWaalsContact O-N 3.16Å; F69-N73 PolarHBondContact O-ND2 2.81Å; F70-N73 PolarHBondContact O-N 2.8Å; G71-N73 PolarHBondContact O-N 3.3Å; N73-Q76 PolarHBondContact O-N 3.18Å; N73-N77 PolarHBondContact O-N 3.44Å
74Y98.6Very high98.6Very high0 Ų052.2 Ų52.20%025%0.252CS..Hα-helixtrans-64.3-43.7176.8-134.3-67.4000112.4C14 M15 F41 G42 A46 F70 G71 D72 Q76 N77 F78 T96C14-Y74 WeakPolarHBondContact CA-OH 3.39Å; C14-Y74 HydrophobicContact CB-CD1 4.01Å; C14-Y74 HydrophobicContact CB-CD2 4.12Å; C14-Y74 HydrophobicContact CB-CE1 3.66Å; C14-Y74 HydrophobicContact CB-CE2 3.76Å; C14-Y74 HydrophobicContact CB-CG 4.21Å; C14-Y74 VanDerWaalsContact CB-CZ 3.49Å; M15-Y74 PolarHBondContact N-OH 2.79Å; M15-Y74 WeakPolarHBondContact O-CE2 3.47Å; M15-Y74 PolarHBondContact O-OH 3Å; F41-Y74 AromaticContact CD1-CD2 3.84Å; F41-Y74 HydrophobicContact CD1-CD2 3.84Å; F41-Y74 AromaticContact CD1-CE2 3.94Å; F41-Y74 HydrophobicContact CD1-CE2 3.94Å; F41-Y74 HydrophobicContact CD1-CG 4.17Å; F41-Y74 HydrophobicContact CE1-CD2 4.33Å; F41-Y74 HydrophobicContact CE1-CG 4.48Å; G42-Y74 PolarHBondContact O-OH 2.85Å; A46-Y74 HydrophobicContact CB-CE1 3.64Å; A46-Y74 WeakPolarHBondContact CB-OH 3.42Å; F70-Y74 WeakPolarHBondContact O-CB 3.42Å; F70-Y74 PolarHBondContact O-N 3.02Å; G71-Y74 WeakPolarHBondContact O-CB 3.35Å; G71-Y74 PolarHBondContact O-N 2.92Å; D72-Y74 VanDerWaalsContact C-N 3.32Å; D72-Y74 PolarHBondContact O-N 3.23Å; Y74-Q76 VanDerWaalsContact C-N 3.26Å; Y74-Q76 PolarHBondContact O-N 2.95Å; Y74-N77 WeakPolarHBondContact O-CB 3.48Å; Y74-N77 PolarHBondContact O-N 2.92Å; Y74-F78 HydrophobicContact CD1-CD2 4.08Å; Y74-F78 HydrophobicContact CD1-CE1 4.47Å; Y74-F78 AromaticContact CD1-CE2 3.51Å; Y74-F78 HydrophobicContact CD1-CE2 3.51Å; Y74-F78 AromaticContact CD1-CZ 3.74Å; Y74-F78 HydrophobicContact CD1-CZ 3.74Å; Y74-F78 HydrophobicContact CE1-CE1 4.23Å; Y74-F78 AromaticContact CE1-CE2 3.91Å; Y74-F78 HydrophobicContact CE1-CE2 3.91Å; Y74-F78 AromaticContact CE1-CZ 3.61Å; Y74-F78 HydrophobicContact CE1-CZ 3.61Å; Y74-F78 WeakPolarHBondContact O-CD2 3.18Å; Y74-F78 PolarHBondContact O-N 2.92Å; Y74-T96 HydrophobicContact CD2-CG2 4.38Å
75I98.8Very high98.5Very high22 Ų2252.7 Ų52.711%0.11326%0.257CS..Hα-helixtrans-62-39.1175.9-68.4164.3000109.9V65 G71 D72 F78 K79 T85 V88 Q90V65-I75 HydrophobicContact CG2-CD1 4.25Å; V65-I75 HydrophobicContact CG2-CG1 4.45Å; G71-I75 WeakPolarHBondContact O-CG1 3.43Å; G71-I75 PolarHBondContact O-N 2.93Å; D72-I75 PolarHBondContact O-N 2.9Å; I75-F78 PolarHBondContact O-N 3.18Å; I75-K79 WeakPolarHBondContact O-CG 3.32Å; I75-K79 PolarHBondContact O-N 2.98Å; I75-T85 HydrophobicContact CG2-CG2 4.3Å; I75-V88 HydrophobicContact CD1-CG1 4.18Å; I75-V88 HydrophobicContact CG1-CB 4.45Å; I75-V88 HydrophobicContact CG1-CG1 3.63Å; I75-Q90 HydrophobicContact CD1-CG 3.79Å
76Q98.7Very high98.5Very high86 Ų8658.2 Ų58.240%0.40229%0.286SS..Hα-helixtrans-66.2-44.3175.1-169.856.745.800112D72 N73 Y74 F78 K79 D80D72-Q76 PolarHBondContact O-N 2.98Å; D72-Q76 VanDerWaalsContact O-N 3.1Å; N73-Q76 PolarHBondContact O-N 3.18Å; Y74-Q76 VanDerWaalsContact C-N 3.26Å; Y74-Q76 PolarHBondContact O-N 2.95Å; Q76-F78 VanDerWaalsContact C-N 3.27Å; Q76-F78 PolarHBondContact O-N 2.86Å; Q76-K79 WeakPolarHBondContact O-CB 3.39Å; Q76-K79 PolarHBondContact O-N 3.16Å; Q76-D80 PolarHBondContact NE2-OD1 3.01Å; Q76-D80 VanDerWaalsContact O-CG 3.25Å; Q76-D80 PolarHBondContact O-N 2.94Å
77N98.6Very high98.5Very high16 Ų1659.9 Ų59.99%0.08629%0.294CS..Hα-helixtrans-56.2-39.9175.4176.753.5000112.3F41 I50 N73 Y74 D80 N81 Q302F41-N77 HydrophobicContact CD1-CB 4.12Å; F41-N77 HydrophobicContact CD2-CB 3.92Å; F41-N77 VanDerWaalsContact CD2-CG 3.48Å; F41-N77 HydrophobicContact CE1-CB 3.94Å; F41-N77 HydrophobicContact CE2-CB 3.74Å; F41-N77 HydrophobicContact CG-CB 4.12Å; F41-N77 WeakPolarHBondContact CG-ND2 3.41Å; F41-N77 HydrophobicContact CZ-CB 3.75Å; I50-N77 WeakPolarHBondContact CD1-ND2 3.33Å; N73-N77 PolarHBondContact O-N 3.44Å; Y74-N77 WeakPolarHBondContact O-CB 3.48Å; Y74-N77 PolarHBondContact O-N 2.92Å; N77-D80 PolarHBondContact O-N 3.05Å; N77-N81 PolarHBondContact O-N 3.35Å; N77-N81 PolarHBondContact O-ND2 3.27Å; N77-N81 PolarHBondContact OD1-ND2 2.97Å; N77-N81 VanDerWaalsContact OD1-ND2 3.15Å; N77-Q302 PolarHBondContact ND2-OE1 3.27Å
78F98.8Very high98.5Very high0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-61.4-44.9173.5-75.7-46.6000112.7C14 A46 I50 M61 Y74 I75 Q76 D80 N81 D82 V83 T85 V88C14-F78 VanDerWaalsContact SG-CZ 3.53Å; A46-F78 HydrophobicContact CB-CE1 3.82Å; A46-F78 HydrophobicContact CB-CZ 3.73Å; I50-F78 HydrophobicContact CD1-CD1 4.19Å; I50-F78 HydrophobicContact CD1-CE1 4.23Å; I50-F78 HydrophobicContact CG1-CD1 4.31Å; I50-F78 HydrophobicContact CG1-CE1 4.42Å; M61-F78 HydrophobicContact CB-CE1 4.32Å; M61-F78 HydrophobicContact CB-CE2 4.37Å; M61-F78 HydrophobicContact CB-CZ 4.15Å; M61-F78 HydrophobicContact CG-CE1 4.13Å; M61-F78 HydrophobicContact CG-CE2 4.02Å; M61-F78 HydrophobicContact CG-CZ 3.62Å; M61-F78 HydrophobicContact SD-CE1 4.49Å; M61-F78 HydrophobicContact SD-CZ 4.26Å; Y74-F78 HydrophobicContact CD1-CD2 4.08Å; Y74-F78 HydrophobicContact CD1-CE1 4.47Å; Y74-F78 AromaticContact CD1-CE2 3.51Å; Y74-F78 HydrophobicContact CD1-CE2 3.51Å; Y74-F78 AromaticContact CD1-CZ 3.74Å; Y74-F78 HydrophobicContact CD1-CZ 3.74Å; Y74-F78 HydrophobicContact CE1-CE1 4.23Å; Y74-F78 AromaticContact CE1-CE2 3.91Å; Y74-F78 HydrophobicContact CE1-CE2 3.91Å; Y74-F78 AromaticContact CE1-CZ 3.61Å; Y74-F78 HydrophobicContact CE1-CZ 3.61Å; Y74-F78 WeakPolarHBondContact O-CD2 3.18Å; Y74-F78 PolarHBondContact O-N 2.92Å; I75-F78 PolarHBondContact O-N 3.18Å; Q76-F78 VanDerWaalsContact C-N 3.27Å; Q76-F78 PolarHBondContact O-N 2.86Å; F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 3.27Å; F78-N81 CarbonylContact O-C 3.38Å; F78-N81 PolarHBondContact O-N 2.9Å; F78-N81 VanDerWaalsContact O-N 3.14Å; F78-D82 PolarHBondContact O-N 3.41Å; F78-V83 HydrophobicContact CB-CB 3.93Å; F78-V83 HydrophobicContact CB-CG1 4.26Å; F78-V83 HydrophobicContact CD1-CB 3.87Å; F78-V83 HydrophobicContact CD1-CG1 3.77Å; F78-V83 HydrophobicContact CD1-CG2 4.1Å; F78-V83 HydrophobicContact CE1-CG1 4.42Å; F78-V83 HydrophobicContact CG-CB 4.26Å; F78-V83 HydrophobicContact CG-CG1 4.18Å; F78-V83 WeakPolarHBondContact O-CB 3.48Å; F78-V83 PolarHBondContact O-N 2.6Å; F78-T85 HydrophobicContact CB-CG2 3.48Å; F78-T85 VanDerWaalsContact CB-CG2 3.48Å; F78-T85 HydrophobicContact CD2-CG2 4.27Å; F78-T85 HydrophobicContact CG-CG2 4.27Å; F78-V88 HydrophobicContact CD2-CG2 4.13Å; F78-V88 HydrophobicContact CE2-CG2 4.22Å
79K98.6Very high98.5Very high106 Ų10653.9 Ų53.946%0.46127%0.266SS..Hα-helixtrans-62.8-40.4177.4-66.6169.8-175.11700111.9I75 Q76 N81 D82 T85I75-K79 WeakPolarHBondContact O-CG 3.32Å; I75-K79 PolarHBondContact O-N 2.98Å; Q76-K79 WeakPolarHBondContact O-CB 3.39Å; Q76-K79 PolarHBondContact O-N 3.16Å; K79-N81 PolarHBondContact O-N 2.74Å; K79-D82 PolarHBondContact O-N 3.38Å; K79-D82 VanDerWaalsContact O-N 3.13Å; K79-T85 HydrophobicContact CG-CG2 4.28Å
80D98.3Very high98.5Very high106 Ų10650.9 Ų50.957%0.56725%0.254SS*.Hα-helixtrans-66.3-17.9178.2-62.2-17.3000112.6Q76 N77 F78Q76-D80 PolarHBondContact NE2-OD1 3.01Å; Q76-D80 VanDerWaalsContact O-CG 3.25Å; Q76-D80 PolarHBondContact O-N 2.94Å; N77-D80 PolarHBondContact O-N 3.05Å; F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 3.27Å
81N98.4Very high98.5Very high10 Ų1048.5 Ų48.55%0.05325%0.245CC..THydrogen-bonded Turntrans-109.618.6175.9-70.2-89.4000113.1I50 A53 R54 N77 F78 K79 V83I50-N81 HydrophobicContact CD1-CB 4.49Å; I50-N81 HydrophobicContact CG1-CB 4.06Å; I50-N81 HydrophobicContact CG2-CB 4.2Å; A53-N81 WeakPolarHBondContact CB-O 3.44Å; R54-N81 VanDerWaalsContact CZ-OD1 3.25Å; R54-N81 PolarHBondContact NE-OD1 3.5Å; R54-N81 PolarHBondContact NH2-OD1 3.33Å; N77-N81 PolarHBondContact O-N 3.35Å; N77-N81 PolarHBondContact O-ND2 3.27Å; N77-N81 PolarHBondContact OD1-ND2 2.97Å; N77-N81 VanDerWaalsContact OD1-ND2 3.15Å; F78-N81 CarbonylContact O-C 3.38Å; F78-N81 PolarHBondContact O-N 2.9Å; F78-N81 VanDerWaalsContact O-N 3.14Å; K79-N81 PolarHBondContact O-N 2.74Å; N81-V83 HydrophobicContact CB-CG2 4.39Å; N81-V83 PolarHBondContact O-N 2.91Å; N81-V83 VanDerWaalsContact O-N 3.15Å
82D97.8Very high98.5Very high136 Ų13653.1 Ų53.173%0.72728%0.277SS*.THydrogen-bonded Turntrans5824.7178.7-63.9-53.5000115.1F78 K79F78-D82 PolarHBondContact O-N 3.41Å; K79-D82 PolarHBondContact O-N 3.38Å; K79-D82 VanDerWaalsContact O-N 3.13Å
83V98.6Very high98.5Very high4 Ų455.2 Ų55.22%0.02429%0.288CS..  trans-86129.8174.61790000109.8I50 A53 M61 F78 N81 T85I50-V83 HydrophobicContact CG1-CG2 4.01Å; A53-V83 HydrophobicContact CB-CG2 3.79Å; M61-V83 HydrophobicContact CB-CG1 3.89Å; F78-V83 HydrophobicContact CB-CB 3.93Å; F78-V83 HydrophobicContact CB-CG1 4.26Å; F78-V83 HydrophobicContact CD1-CB 3.87Å; F78-V83 HydrophobicContact CD1-CG1 3.77Å; F78-V83 HydrophobicContact CD1-CG2 4.1Å; F78-V83 HydrophobicContact CE1-CG1 4.42Å; F78-V83 HydrophobicContact CG-CB 4.26Å; F78-V83 HydrophobicContact CG-CG1 4.18Å; F78-V83 WeakPolarHBondContact O-CB 3.48Å; F78-V83 PolarHBondContact O-N 2.6Å; N81-V83 HydrophobicContact CB-CG2 4.39Å; N81-V83 PolarHBondContact O-N 2.91Å; N81-V83 VanDerWaalsContact O-N 3.15Å; V83-T85 PolarHBondContact O-N 3.11Å
84H98.4Very high98.4Very high48 Ų4853.5 Ų53.522%0.22228%0.282CS..EExtended strand (participates in β ladder)trans-73130.9178.1-68.466.2000111.4F6 T59 A60 M61F6-H84 HydrophobicContact CE1-CB 3.81Å; F6-H84 AromaticContact CE1-CD2 3.68Å; F6-H84 AromaticContact CE1-CG 3.51Å; F6-H84 AromaticContact CE1-ND1 3.78Å; F6-H84 HydrophobicContact CZ-CB 4.22Å; T59-H84 WeakPolarHBondContact O-CB 3.24Å; T59-H84 PolarHBondContact O-N 3.01Å; T59-H84 PolarHBondContact O-ND1 3.16Å; A60-H84 HydrophobicContact CB-CB 4.11Å; M61-H84 PolarHBondContact N-O 3.01Å
85T98.4Very high98.4Very high30 Ų3056.5 Ų56.518%0.18431%0.307CS..EExtended strand (participates in β ladder)trans-107.412.4-174.363.90000114.3I75 F78 K79 V83 F87 V88I75-T85 HydrophobicContact CG2-CG2 4.3Å; F78-T85 HydrophobicContact CB-CG2 3.48Å; F78-T85 VanDerWaalsContact CB-CG2 3.48Å; F78-T85 HydrophobicContact CD2-CG2 4.27Å; F78-T85 HydrophobicContact CG-CG2 4.27Å; K79-T85 HydrophobicContact CG-CG2 4.28Å; V83-T85 PolarHBondContact O-N 3.11Å; T85-F87 PolarHBondContact O-N 3.29Å; T85-F87 VanDerWaalsContact O-N 3.07Å; T85-V88 HydrophobicContact CG2-CG2 4.18Å; T85-V88 PolarHBondContact O-N 3.33Å
86D97.8Very high98.4Very high116 Ų11655.7 Ų55.762%0.6230%0.303SS*.EExtended strand (participates in β ladder)trans-60.1-20.4-179-70.8-12.6000112.9
87F98.4Very high98.4Very high36 Ų3651.6 Ų51.616%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-118.626.3179.4-47.9-71.3000112.1F6 A60 M61 I62 C63 T85 W89 A133 A136F6-F87 HydrophobicContact CE2-CE2 4.06Å; F6-F87 HydrophobicContact CZ-CE2 4.47Å; A60-F87 HydrophobicContact CB-CD2 4.4Å; M61-F87 CarbonylContact O-C 3.58Å; I62-F87 WeakPolarHBondContact CA-O 3.28Å; I62-F87 HydrophobicContact CB-CB 4.43Å; I62-F87 HydrophobicContact CG1-CB 3.78Å; I62-F87 HydrophobicContact CG1-CD2 4.46Å; I62-F87 HydrophobicContact CG1-CG 4.27Å; C63-F87 PolarHBondContact N-O 3.28Å; T85-F87 PolarHBondContact O-N 3.29Å; T85-F87 VanDerWaalsContact O-N 3.07Å; F87-W89 HydrophobicContact CB-CH2 3.71Å; F87-W89 HydrophobicContact CB-CZ2 4.04Å; F87-W89 HydrophobicContact CB-CZ3 4.21Å; F87-W89 HydrophobicContact CD1-CH2 4.45Å; F87-W89 HydrophobicContact CD1-CZ2 4.22Å; F87-W89 WeakPolarHBondContact O-CZ3 3.46Å; F87-A133 HydrophobicContact CB-CB 4.38Å; F87-A133 HydrophobicContact CD1-CB 3.61Å; F87-A133 HydrophobicContact CE1-CB 4.04Å; F87-A133 HydrophobicContact CG-CB 3.96Å; F87-A136 HydrophobicContact CD2-CB 4.19Å; F87-A136 HydrophobicContact CE2-CB 3.43Å; F87-A136 VanDerWaalsContact CE2-CB 3.43Å; F87-A136 HydrophobicContact CZ-CB 3.66Å
88V98.7Very high98.3Very high18 Ų1851.7 Ų51.711%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-99.1105.1169.6-179.40000107.9M61 C63 V65 I75 F78 T85M61-V88 HydrophobicContact CB-CG2 4.11Å; M61-V88 HydrophobicContact CG-CG2 4.47Å; C63-V88 WeakPolarHBondContact O-CA 3.48Å; V65-V88 HydrophobicContact CG2-CG1 4.32Å; I75-V88 HydrophobicContact CD1-CG1 4.18Å; I75-V88 HydrophobicContact CG1-CB 4.45Å; I75-V88 HydrophobicContact CG1-CG1 3.63Å; F78-V88 HydrophobicContact CD2-CG2 4.13Å; F78-V88 HydrophobicContact CE2-CG2 4.22Å; T85-V88 HydrophobicContact CG2-CG2 4.18Å; T85-V88 PolarHBondContact O-N 3.33Å
89W98.7Very high98.1Very high43 Ų4352 Ų5216%0.16329%0.289CS..EExtended strand (participates in β ladder)trans-90.3152.7-179-60.5-81.7000111.5I62 C63 K64 V65 F87 L125 E129 K132 A133I62-W89 HydrophobicContact CB-CZ3 4.42Å; I62-W89 HydrophobicContact CG2-CH2 3.79Å; I62-W89 HydrophobicContact CG2-CZ3 3.56Å; C63-W89 PolarHBondContact O-N 3.23Å; K64-W89 CarbonylContact C-O 3.47Å; K64-W89 WeakPolarHBondContact CA-O 3.2Å; K64-W89 HydrophobicContact CB-CB 4.41Å; K64-W89 HydrophobicContact CG-CB 4.06Å; V65-W89 PolarHBondContact N-O 3.24Å; F87-W89 HydrophobicContact CB-CH2 3.71Å; F87-W89 HydrophobicContact CB-CZ2 4.04Å; F87-W89 HydrophobicContact CB-CZ3 4.21Å; F87-W89 HydrophobicContact CD1-CH2 4.45Å; F87-W89 HydrophobicContact CD1-CZ2 4.22Å; F87-W89 WeakPolarHBondContact O-CZ3 3.46Å; W89-L125 HydrophobicContact CE3-CD1 3.59Å; W89-L125 HydrophobicContact CZ3-CD1 3.51Å; W89-E129 HydrophobicContact CD2-CB 3.9Å; W89-E129 HydrophobicContact CD2-CG 3.27Å; W89-E129 HydrophobicContact CE3-CB 3.67Å; W89-E129 HydrophobicContact CE3-CG 3.42Å; W89-E129 VanDerWaalsContact CE3-CG 3.42Å; W89-E129 HydrophobicContact CG-CG 3.77Å; W89-E129 HydrophobicContact CH2-CB 3.51Å; W89-E129 HydrophobicContact CH2-CG 4.05Å; W89-E129 VanDerWaalsContact CH2-O 3.3Å; W89-E129 WeakPolarHBondContact CH2-O 3.35Å; W89-E129 HydrophobicContact CZ2-CB 3.69Å; W89-E129 HydrophobicContact CZ2-CG 3.9Å; W89-E129 WeakPolarHBondContact CZ2-O 3.48Å; W89-E129 HydrophobicContact CZ3-CB 3.51Å; W89-E129 HydrophobicContact CZ3-CG 3.84Å; W89-K132 HydrophobicContact CZ2-CB 4.44Å; W89-A133 HydrophobicContact CH2-CB 4.07Å
90Q98.7Very high97.8Very high80 Ų8049.8 Ų49.837%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-114.8143.4170.4-62.7-174.5-83.400110.1V65 G66 K67 D72 I75V65-Q90 HydrophobicContact CG2-CG 3.85Å; V65-Q90 CarbonylContact O-C 3.56Å; V65-Q90 VanDerWaalsContact O-CA 3.27Å; V65-Q90 WeakPolarHBondContact O-CA 3.39Å; G66-Q90 PolarHBondContact O-NE2 2.79Å; K67-Q90 HydrophobicContact CB-CB 4.2Å; D72-Q90 PolarHBondContact OD1-NE2 2.86Å; I75-Q90 HydrophobicContact CD1-CG 3.79Å
91T98.6Very high97.4Very high14 Ų1446 Ų469%0.08627%0.267CS..EExtended strand (participates in β ladder)trans-128.8146.5174177.50000111.9K64 V65 G66 K67 D93 A121 R124K64-T91 HydrophobicContact CD-CG2 3.97Å; K64-T91 HydrophobicContact CG-CG2 4.09Å; V65-T91 PolarHBondContact O-N 3.49Å; G66-T91 CarbonylContact C-O 3.35Å; K67-T91 PolarHBondContact N-O 2.79Å; T91-D93 WeakPolarHBondContact OG1-CB 3.3Å; T91-D93 PolarHBondContact OG1-N 3.05Å; T91-D93 PolarHBondContact OG1-OD2 3.41Å; T91-A121 HydrophobicContact CG2-CB 3.78Å; T91-R124 HydrophobicContact CG2-CB 4.32Å; T91-R124 HydrophobicContact CG2-CG 4.38Å
92S98.4Very high96.9Very high97 Ų9747.1 Ų47.168%0.67827%0.274SS*.SBendtrans-89.7-4.6169.9-65.20000113.2A94S92-A94 VanDerWaalsContact C-N 3.35Å
93D97.9Very high96.2Very high132 Ų13242.4 Ų42.471%0.70625%0.25SS*.SBendtrans-83.4-12.5-175.8-54.1-39.8000113.4T91T91-D93 WeakPolarHBondContact OG1-CB 3.3Å; T91-D93 PolarHBondContact OG1-N 3.05Å; T91-D93 PolarHBondContact OG1-OD2 3.41Å
94A98.3Very high95.4Very high24 Ų2443.2 Ų43.220%0.19825%0.254CS..SBendtrans-156150.8179.400000110.4G66 S92 A121 R124G66-A94 WeakPolarHBondContact CA-O 3.49Å; S92-A94 VanDerWaalsContact C-N 3.35Å; A94-A121 HydrophobicContact CB-CB 4.44Å; A94-R124 HydrophobicContact CB-CG 4.22Å
95A98.6Very high94.1Very high62 Ų6245.1 Ų45.151%0.51227%0.266SS..PPolyproline II helixtrans-69.6159.7169.400000111.2D68 G120 A121D68-A95 VanDerWaalsContact OD2-CA 3.26Å; D68-A95 WeakPolarHBondContact OD2-CA 3.44Å; A95-G120 CarbonylContact O-C 3.56Å; A95-G120 WeakPolarHBondContact O-CA 3.03Å; A95-A121 WeakPolarHBondContact O-CB 3.27Å; A95-A121 PolarHBondContact O-N 3.07Å
96T98.8Very high92.2Very high6 Ų645.7 Ų45.74%0.03727%0.274CS..PPolyproline II helixtrans-54140.6166.7-590000109.8V65 G66 D68 F70 G71 Y74V65-T96 HydrophobicContact CB-CG2 4.12Å; V65-T96 HydrophobicContact CG1-CG2 4.26Å; G66-T96 WeakPolarHBondContact CA-OG1 3.27Å; G66-T96 PolarHBondContact N-OG1 3.02Å; D68-T96 PolarHBondContact OD1-OG1 3.46Å; D68-T96 PolarHBondContact OD2-N 3.32Å; D68-T96 PolarHBondContact OD2-OG1 2.85Å; F70-T96 HydrophobicContact CB-CG2 4.04Å; G71-T96 VanDerWaalsContact CA-OG1 3.27Å; G71-T96 WeakPolarHBondContact CA-OG1 3.43Å; G71-T96 PolarHBondContact N-OG1 3.48Å; Y74-T96 HydrophobicContact CD2-CG2 4.38Å
97G98.2Very high89.8Confident0 Ų044.9 Ų44.90%027%0.273CS..EExtended strand (participates in β ladder)trans-56.7142.6177.900000111.3M15 T16 V118 A119M15-G97 CarbonylContact C-O 3.5Å; M15-G97 WeakPolarHBondContact CA-O 3.38Å; M15-G97 VanDerWaalsContact SD-C 3.59Å; M15-G97 VanDerWaalsContact SD-CA 3.59Å; T16-G97 PolarHBondContact N-O 2.88Å; G97-V118 CarbonylContact C-O 3.55Å; G97-V118 VanDerWaalsContact CA-O 3.24Å; G97-V118 WeakPolarHBondContact CA-O 3.42Å; G97-A119 WeakPolarHBondContact CA-O 3.5Å
98A96.9Very high87.4Confident17 Ų1747.7 Ų47.714%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-140.9138.6-176.900000112.2M15 T16 L18 V118M15-A98 WeakPolarHBondContact CE-O 3.34Å; T16-A98 CarbonylContact O-C 3.53Å; T16-A98 VanDerWaalsContact O-CA 3.27Å; T16-A98 WeakPolarHBondContact O-CA 3.31Å; L18-A98 HydrophobicContact CD1-CB 4.29Å; A98-V118 PolarHBondContact N-O 3.26Å; A98-V118 PolarHBondContact O-N 2.86Å
99A92.8Very high85.1Confident6 Ų653.1 Ų53.15%0.0531%0.314CS..EExtended strand (participates in β ladder)trans-111.4108.5171.500000108.3M15 T16 L18 I101 I115 V116 I117M15-A99 HydrophobicContact CE-CB 4.18Å; T16-A99 PolarHBondContact O-N 3.49Å; L18-A99 PolarHBondContact N-O 3.28Å; A99-I101 HydrophobicContact CB-CD1 4.25Å; A99-I101 HydrophobicContact CB-CG1 4.24Å; A99-I101 PolarHBondContact O-N 2.83Å; A99-I115 HydrophobicContact CB-CG2 4.35Å; A99-V116 WeakPolarHBondContact CA-O 3.41Å; A99-I117 HydrophobicContact CB-CG1 4.15Å
100S93Very high83Confident61 Ų6158.5 Ų58.543%0.42734%0.341SS..EExtended strand (participates in β ladder)trans-84.6110.7173.9-64.40000108.8I115 V116S100-I115 WeakPolarHBondContact O-CA 3.48Å; S100-V116 PolarHBondContact N-O 3.16Å; S100-V116 PolarHBondContact O-N 2.97Å
101I89Confident81Confident25 Ų2555.9 Ų55.913%0.12834%0.335CS..EExtended strand (participates in β ladder)trans-115.4123.6-170.8-57.6168.3000108.5D17 L18 V19 S20 A99 V103 A114 I115D17-I101 HydrophobicContact CB-CD1 4.18Å; L18-I101 PolarHBondContact O-N 3.08Å; V19-I101 CarbonylContact C-O 3.59Å; V19-I101 WeakPolarHBondContact CA-O 3.49Å; V19-I101 HydrophobicContact CG1-CB 4.39Å; V19-I101 HydrophobicContact CG1-CG2 4.25Å; V19-I101 HydrophobicContact CG2-CB 4.2Å; V19-I101 HydrophobicContact CG2-CD1 4.11Å; S20-I101 PolarHBondContact N-O 2.9Å; A99-I101 HydrophobicContact CB-CD1 4.25Å; A99-I101 HydrophobicContact CB-CG1 4.24Å; A99-I101 PolarHBondContact O-N 2.83Å; I101-V103 HydrophobicContact CG2-CG2 3.7Å; I101-A114 WeakPolarHBondContact CA-O 3.42Å; I101-I115 HydrophobicContact CG1-CD1 4.4Å; I101-I115 HydrophobicContact CG1-CG1 4.11Å; I101-I115 HydrophobicContact CG1-CG2 4.06Å; I101-I115 HydrophobicContact CG2-CG1 4.23Å
102T88.6Confident79.5Confident34 Ų3461.4 Ų61.421%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-107126.7165.3-53.50000108.6S20 A22 L25 N113 A114S20-T102 WeakPolarHBondContact O-CA 3.44Å; A22-T102 HydrophobicContact CB-CG2 4.31Å; L25-T102 HydrophobicContact CD2-CG2 3.83Å; L25-T102 WeakPolarHBondContact CD2-O 3.43Å; T102-N113 CarbonylContact O-C 3.59Å; T102-N113 VanDerWaalsContact O-CA 3.24Å; T102-N113 WeakPolarHBondContact O-CA 3.49Å; T102-A114 PolarHBondContact N-O 2.83Å; T102-A114 PolarHBondContact O-N 2.8Å
103V84.3Confident78.4Confident38 Ų3861.2 Ų61.223%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-116.7132.6176.4-170.90000108.2V19 S20 A22 I101 N113V19-V103 HydrophobicContact CG1-CG2 4.02Å; S20-V103 PolarHBondContact O-N 3.32Å; A22-V103 PolarHBondContact N-O 3.15Å; I101-V103 HydrophobicContact CG2-CG2 3.7Å; V103-N113 HydrophobicContact CG2-CB 4.47Å
104N80.8Confident77.7Confident21 Ų2157 Ų5711%0.11234%0.335CS..EExtended strand (participates in β ladder)trans-81.5164.8175.675.811.3000112.6A22 L25 A106 G111 E112A22-N104 CarbonylContact O-C 3.36Å; A22-N104 WeakPolarHBondContact O-CA 3.29Å; L25-N104 HydrophobicContact CG-CB 4.43Å; N104-A106 PolarHBondContact O-N 3.4Å; N104-A106 WeakPolarHBondContact OD1-CB 3.29Å; N104-A106 PolarHBondContact OD1-N 3.11Å; N104-A106 VanDerWaalsContact OD1-N 3.12Å; N104-G111 WeakPolarHBondContact OD1-CA 3.49Å; N104-E112 PolarHBondContact N-O 3.21Å; N104-E112 WeakPolarHBondContact ND2-CB 3.48Å; N104-E112 PolarHBondContact OD1-N 2.88Å; N104-E112 VanDerWaalsContact OD1-N 3.11Å
105D70.9Confident76.9Confident87 Ų8759.8 Ų59.847%0.46535%0.345SS..  trans-77.15.1176.5-75.5-24000114.1A22 P23 H35 V107A22-D105 PolarHBondContact O-N 3.09Å; P23-D105 VanDerWaalsContact CA-OD2 3.26Å; P23-D105 WeakPolarHBondContact CA-OD2 3.45Å; H35-D105 VanDerWaalsContact CE1-CG 3.4Å; H35-D105 IonicContact CE1-OD1 3.44Å; H35-D105 PolarHBondContact CE1-OD1 2.78Å; H35-D105 IonicContact CE1-OD2 3.57Å; H35-D105 PolarHBondContact CE1-OD2 3.05Å; H35-D105 IonicContact ND1-OD2 2.84Å; H35-D105 IonicContact NE2-OD1 3.11Å; H35-D105 PolarHBondContact NE2-OD1 3.41Å; D105-V107 PolarHBondContact O-N 3.22Å; D105-V107 VanDerWaalsContact O-N 3.12Å
106A58.6Low76.5Confident43 Ų4361.4 Ų61.436%0.35535%0.349SS..SBendtrans-58.2128172.200000106.9N104N104-A106 PolarHBondContact O-N 3.4Å; N104-A106 WeakPolarHBondContact OD1-CB 3.29Å; N104-A106 PolarHBondContact OD1-N 3.11Å; N104-A106 VanDerWaalsContact OD1-N 3.12Å
107V48Very low76.1Confident98 Ų9866 Ų6659%0.59437%0.372SS*.SBendtrans-20.7131.2-171-168.80000111.4D105 W109 E110D105-V107 PolarHBondContact O-N 3.22Å; D105-V107 VanDerWaalsContact O-N 3.12Å; V107-W109 PolarHBondContact O-N 3.37Å; V107-E110 PolarHBondContact O-N 3.2Å
108P47.9Very low76Confident96 Ų9670.3 Ų70.362%0.62340%0.398SS*.THydrogen-bonded Turntrans-49.8-0.2-154.410.4-28.4000120.1
109W49.8Very low75.9Confident132 Ų13270.8 Ų70.850%0.540%0.402SS..THydrogen-bonded Turntrans-122.1-14.5-178.3-41.7112000114.7V107 V256 D257V107-W109 PolarHBondContact O-N 3.37Å; W109-V256 HydrophobicContact CH2-CB 3.96Å; W109-V256 HydrophobicContact CH2-CG1 3.6Å; W109-V256 WeakPolarHBondContact CH2-O 3.3Å; W109-V256 HydrophobicContact CZ2-CB 4.15Å; W109-V256 HydrophobicContact CZ2-CG1 3.88Å; W109-V256 HydrophobicContact CZ3-CG1 4.49Å; W109-V256 WeakPolarHBondContact CZ3-O 3.28Å; W109-D257 HydrophobicContact CZ3-CB 4.25Å
110E53.9Low76.2Confident156 Ų15671.5 Ų71.573%0.72941%0.41SS*.SBendtrans-111.913179-66.8178.4-170.700111.5V107 E112V107-E110 PolarHBondContact O-N 3.2Å; E110-E112 PolarHBondContact O-N 3.36Å; E110-E112 VanDerWaalsContact O-N 3.1Å
111G57.9Low76.5Confident24 Ų2468.6 Ų68.625%0.24739%0.389CS..  trans-61.8112.8-178.200000111.1N104 N113N104-G111 WeakPolarHBondContact OD1-CA 3.49Å; G111-N113 PolarHBondContact O-N 3.49Å
112E67.8Low76.9Confident130 Ų13067.4 Ų67.461%0.60738%0.383SS*.  trans-60.5135.2167.3-59.4178.1162.800108.1L25 N104 E110L25-E112 HydrophobicContact CD1-CB 3.83Å; N104-E112 PolarHBondContact N-O 3.21Å; N104-E112 WeakPolarHBondContact ND2-CB 3.48Å; N104-E112 PolarHBondContact OD1-N 2.88Å; N104-E112 VanDerWaalsContact OD1-N 3.11Å; E110-E112 PolarHBondContact O-N 3.36Å; E110-E112 VanDerWaalsContact O-N 3.1Å
113N75Confident77.4Confident93 Ų9370.3 Ų70.350%0.49740%0.396SS..EExtended strand (participates in β ladder)trans-118.3154.7176.465.418.6000111.5T102 V103 G111T102-N113 CarbonylContact O-C 3.59Å; T102-N113 VanDerWaalsContact O-CA 3.24Å; T102-N113 WeakPolarHBondContact O-CA 3.49Å; V103-N113 HydrophobicContact CG2-CB 4.47Å; G111-N113 PolarHBondContact O-N 3.49Å
114A82.3Confident78.1Confident44 Ų4475.1 Ų75.136%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-125.9124.1167.500000107.9L25 I101 T102L25-A114 HydrophobicContact CD1-CB 4.35Å; L25-A114 HydrophobicContact CD2-CB 4.18Å; I101-A114 WeakPolarHBondContact CA-O 3.42Å; T102-A114 PolarHBondContact N-O 2.83Å; T102-A114 PolarHBondContact O-N 2.8Å
115I82.7Confident78.9Confident82 Ų8274.3 Ų74.342%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-122.5127-174.3-52.9-176.5000109.2A99 S100 I101 I117A99-I115 HydrophobicContact CB-CG2 4.35Å; S100-I115 WeakPolarHBondContact O-CA 3.48Å; I101-I115 HydrophobicContact CG1-CD1 4.4Å; I101-I115 HydrophobicContact CG1-CG1 4.11Å; I101-I115 HydrophobicContact CG1-CG2 4.06Å; I101-I115 HydrophobicContact CG2-CG1 4.23Å; I115-I117 HydrophobicContact CG2-CD1 4.36Å; I115-I117 HydrophobicContact CG2-CG1 3.99Å
116V88.4Confident80.2Confident97 Ų9771 Ų7159%0.58839%0.392SS*.EExtended strand (participates in β ladder)trans-113.9115.8168.2-179.30000108.6A99 S100A99-V116 WeakPolarHBondContact CA-O 3.41Å; S100-V116 PolarHBondContact N-O 3.16Å; S100-V116 PolarHBondContact O-N 2.97Å
117I90.6Very high82Confident101 Ų10173.4 Ų73.452%0.51840%0.396SS..EExtended strand (participates in β ladder)trans-96.9128.9177.6-75166.9000109.7M15 A99 I115M15-I117 HydrophobicContact CE-CB 4.28Å; M15-I117 HydrophobicContact CE-CG1 4.2Å; M15-I117 HydrophobicContact CE-CG2 3.61Å; A99-I117 HydrophobicContact CB-CG1 4.15Å; I115-I117 HydrophobicContact CG2-CD1 4.36Å; I115-I117 HydrophobicContact CG2-CG1 3.99Å
118V96.1Very high84.4Confident92 Ų9274.6 Ų74.656%0.55840%0.395SS*.EExtended strand (participates in β ladder)trans-117.1105.4164.9-178.60000107.6G97 A98 G120G97-V118 CarbonylContact C-O 3.55Å; G97-V118 VanDerWaalsContact CA-O 3.24Å; G97-V118 WeakPolarHBondContact CA-O 3.42Å; A98-V118 PolarHBondContact N-O 3.26Å; A98-V118 PolarHBondContact O-N 2.86Å; V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.42Å
119A96.6Very high86.8Confident27 Ų2771 Ų7122%0.22337%0.37CS..  trans-64.3-30.8-174.900000113.3G97 A121 N122 M123G97-A119 WeakPolarHBondContact CA-O 3.5Å; A119-A121 PolarHBondContact O-N 3.1Å; A119-N122 HydrophobicContact CB-CB 4.45Å; A119-N122 VanDerWaalsContact O-CB 3.25Å; A119-N122 WeakPolarHBondContact O-CB 3.27Å; A119-N122 PolarHBondContact O-N 3.46Å; A119-N122 VanDerWaalsContact O-N 3.15Å; A119-N122 PolarHBondContact O-ND2 3.04Å; A119-N122 VanDerWaalsContact O-ND2 3.08Å; A119-M123 HydrophobicContact CB-CG 3.66Å; A119-M123 HydrophobicContact CB-SD 4.16Å
120G98.3Very high89.1Confident20 Ų2064.7 Ų64.721%0.20635%0.346CS..G310 helixtrans55.2-128.7173.200000113.3A95 V118 N122 M123A95-G120 CarbonylContact O-C 3.56Å; A95-G120 WeakPolarHBondContact O-CA 3.03Å; V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.42Å; G120-N122 PolarHBondContact O-N 3.43Å; G120-N122 VanDerWaalsContact O-N 3.12Å; G120-M123 PolarHBondContact O-N 3.49Å; G120-M123 VanDerWaalsContact O-N 3.07Å
121A98.7Very high91.2Very high0 Ų062 Ų620%033%0.334CS..G310 helixtrans-57.5-22.1-179.200000114.6K64 V65 T91 A94 A95 A119 M123 R124K64-A121 HydrophobicContact CG-CB 4.47Å; K64-A121 CarbonylContact O-C 3.56Å; K64-A121 WeakPolarHBondContact O-CB 3.4Å; V65-A121 WeakPolarHBondContact O-CB 3.47Å; T91-A121 HydrophobicContact CG2-CB 3.78Å; A94-A121 HydrophobicContact CB-CB 4.44Å; A95-A121 WeakPolarHBondContact O-CB 3.27Å; A95-A121 PolarHBondContact O-N 3.07Å; A119-A121 PolarHBondContact O-N 3.1Å; A121-M123 PolarHBondContact O-N 3.39Å; A121-R124 WeakPolarHBondContact O-CA 3.46Å; A121-R124 WeakPolarHBondContact O-CB 3.43Å; A121-R124 PolarHBondContact O-N 2.91Å
122N98.7Very high93.1Very high1 Ų166.5 Ų66.51%0.00535%0.346CS..G310 helixtrans-56.8-35.7173.6-68.3-43.5000111.7S13 C14 M15 K64 A119 G120 R124 L125 I149S13-N122 WeakPolarHBondContact CA-OD1 3.45Å; C14-N122 PolarHBondContact N-OD1 2.91Å; C14-N122 PolarHBondContact O-ND2 3.27Å; C14-N122 PolarHBondContact O-OD1 3.2Å; M15-N122 PolarHBondContact SD-ND2 3.03Å; K64-N122 PolarHBondContact O-N 3.27Å; A119-N122 HydrophobicContact CB-CB 4.45Å; A119-N122 VanDerWaalsContact O-CB 3.25Å; A119-N122 WeakPolarHBondContact O-CB 3.27Å; A119-N122 PolarHBondContact O-N 3.46Å; A119-N122 VanDerWaalsContact O-N 3.15Å; A119-N122 PolarHBondContact O-ND2 3.04Å; A119-N122 VanDerWaalsContact O-ND2 3.08Å; G120-N122 PolarHBondContact O-N 3.43Å; G120-N122 VanDerWaalsContact O-N 3.12Å; N122-R124 PolarHBondContact O-N 3.33Å; N122-L125 PolarHBondContact O-N 3.35Å; N122-I149 HydrophobicContact CB-CG2 4.12Å
123M98.3Very high94.5Very high95 Ų9560.3 Ų60.347%0.46832%0.317SS..G310 helixtrans-79-0.5178.2-59.3-53.6-64.500113.7A119 G120 A121A119-M123 HydrophobicContact CB-CG 3.66Å; A119-M123 HydrophobicContact CB-SD 4.16Å; G120-M123 PolarHBondContact O-N 3.49Å; G120-M123 VanDerWaalsContact O-N 3.07Å; A121-M123 PolarHBondContact O-N 3.39Å
124R98.4Very high95.5Very high138 Ų13857.8 Ų57.852%0.52130%0.304SS..G310 helixtrans-101.7-5176.4-58.2-57.3-174-157.90.7112.6K64 T91 A94 A121 N122K64-R124 HydrophobicContact CD-CB 3.65Å; K64-R124 WeakPolarHBondContact CD-O 3.23Å; K64-R124 WeakPolarHBondContact CE-O 2.76Å; K64-R124 PolarHBondContact NZ-O 3.4Å; T91-R124 HydrophobicContact CG2-CB 4.32Å; T91-R124 HydrophobicContact CG2-CG 4.38Å; A94-R124 HydrophobicContact CB-CG 4.22Å; A121-R124 WeakPolarHBondContact O-CA 3.46Å; A121-R124 WeakPolarHBondContact O-CB 3.43Å; A121-R124 PolarHBondContact O-N 2.91Å; N122-R124 PolarHBondContact O-N 3.33Å
125L98.6Very high96.2Very high4 Ų458.5 Ų58.52%0.02130%0.304CS..  trans-70129.5170.1-174.969.5000109.1V11 K64 W89 N122 E129 I149 T153V11-L125 HydrophobicContact CG1-CD2 4.06Å; K64-L125 HydrophobicContact CB-CB 4.16Å; K64-L125 HydrophobicContact CB-CD1 4.32Å; W89-L125 HydrophobicContact CE3-CD1 3.59Å; W89-L125 HydrophobicContact CZ3-CD1 3.51Å; N122-L125 PolarHBondContact O-N 3.35Å; L125-E129 HydrophobicContact CD1-CB 3.67Å; L125-E129 HydrophobicContact CD1-CG 4.02Å; L125-I149 HydrophobicContact CD2-CD1 3.87Å; L125-I149 HydrophobicContact CD2-CG2 4.42Å; L125-T153 HydrophobicContact CD2-CG2 4.17Å; L125-T153 HydrophobicContact CG-CG2 4.05Å; L125-T153 PolarHBondContact O-OG1 3.16Å
126G97.3Very high96.9Very high18 Ų1854.9 Ų54.919%0.18629%0.285CS..  trans-152.6-163.2-178.400000114.6E128 E129 L130G126-E128 VanDerWaalsContact C-N 3.32Å; G126-E128 PolarHBondContact O-N 2.98Å; G126-E129 PolarHBondContact N-OE2 2.87Å; G126-E129 PolarHBondContact O-N 3.05Å; G126-L130 PolarHBondContact O-N 3.27Å; G126-L130 VanDerWaalsContact O-N 3.13Å
127E96.8Very high97.4Very high94 Ų9450.2 Ų50.244%0.43926%0.257SS..Hα-helixtrans-57.3-39.4-172.2-172.767.2-163.800113.3E129 L130 Q131 R156E127-E129 VanDerWaalsContact C-N 3.32Å; E127-E129 PolarHBondContact O-N 3.49Å; E127-L130 PolarHBondContact O-N 2.86Å; E127-Q131 WeakPolarHBondContact O-CB 3.49Å; E127-Q131 PolarHBondContact O-N 2.98Å; E127-R156 IonicContact OE1-CZ 3.63Å; E127-R156 IonicContact OE1-NE 3.21Å; E127-R156 PolarHBondContact OE1-NE 3.44Å; E127-R156 VanDerWaalsContact OE1-NE 3.17Å; E127-R156 IonicContact OE1-NH2 3.27Å; E127-R156 PolarHBondContact OE1-NH2 3.01Å; E127-R156 VanDerWaalsContact OE2-CG 3.28Å; E127-R156 WeakPolarHBondContact OE2-CG 3.4Å; E127-R156 IonicContact OE2-NE 3.76Å; E127-R156 PolarHBondContact OE2-NE 3.23Å
128E97.6Very high97.7Very high123 Ų12351.1 Ų51.158%0.57525%0.254SS*.Hα-helixtrans-60.5-44.4-178.3-173.3-173.8160.400111.5G126 K132G126-E128 VanDerWaalsContact C-N 3.32Å; G126-E128 PolarHBondContact O-N 2.98Å; E128-K132 WeakPolarHBondContact O-CG 3.42Å; E128-K132 PolarHBondContact O-N 3.48Å; E128-K132 VanDerWaalsContact O-N 3.13Å; E128-K132 WeakPolarHBondContact OE1-CE 3.19Å; E128-K132 IonicContact OE1-NZ 2.63Å; E128-K132 PolarHBondContact OE1-NZ 3.33Å
129E98.4Very high97.7Very high20 Ų2050 Ų509%0.09324%0.242CC..Hα-helixtrans-66.4-45.6176.5-78.384-149.800112.2K64 W89 L125 G126 E127 Q131 K132 A133K64-E129 VanDerWaalsContact CE-CD 3.47Å; K64-E129 WeakPolarHBondContact CE-OE1 3.45Å; K64-E129 IonicContact NZ-OE1 3.72Å; K64-E129 PolarHBondContact NZ-OE1 3.41Å; K64-E129 IonicContact NZ-OE2 2.71Å; K64-E129 PolarHBondContact NZ-OE2 2.86Å; W89-E129 HydrophobicContact CD2-CB 3.9Å; W89-E129 HydrophobicContact CD2-CG 3.27Å; W89-E129 HydrophobicContact CE3-CB 3.67Å; W89-E129 HydrophobicContact CE3-CG 3.42Å; W89-E129 VanDerWaalsContact CE3-CG 3.42Å; W89-E129 HydrophobicContact CG-CG 3.77Å; W89-E129 HydrophobicContact CH2-CB 3.51Å; W89-E129 HydrophobicContact CH2-CG 4.05Å; W89-E129 VanDerWaalsContact CH2-O 3.3Å; W89-E129 WeakPolarHBondContact CH2-O 3.35Å; W89-E129 HydrophobicContact CZ2-CB 3.69Å; W89-E129 HydrophobicContact CZ2-CG 3.9Å; W89-E129 WeakPolarHBondContact CZ2-O 3.48Å; W89-E129 HydrophobicContact CZ3-CB 3.51Å; W89-E129 HydrophobicContact CZ3-CG 3.84Å; L125-E129 HydrophobicContact CD1-CB 3.67Å; L125-E129 HydrophobicContact CD1-CG 4.02Å; G126-E129 PolarHBondContact N-OE2 2.87Å; G126-E129 PolarHBondContact O-N 3.05Å; E127-E129 VanDerWaalsContact C-N 3.32Å; E127-E129 PolarHBondContact O-N 3.49Å; E129-Q131 VanDerWaalsContact C-N 3.28Å; E129-Q131 PolarHBondContact O-N 3.43Å; E129-K132 PolarHBondContact O-N 3.25Å; E129-A133 PolarHBondContact O-N 2.95Å
130L98.1Very high97.7Very high0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-58.9-42176.6-66.5-173000111.5V11 I62 G126 E127 K132 A133 L134 T153 R156 A157 M160V11-L130 HydrophobicContact CG1-CD2 3.82Å; I62-L130 HydrophobicContact CG2-CD2 4.06Å; G126-L130 PolarHBondContact O-N 3.27Å; G126-L130 VanDerWaalsContact O-N 3.13Å; E127-L130 PolarHBondContact O-N 2.86Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3Å; L130-A133 CarbonylContact O-C 3.58Å; L130-A133 WeakPolarHBondContact O-CA 3.49Å; L130-A133 PolarHBondContact O-N 3.19Å; L130-A133 VanDerWaalsContact O-N 3.09Å; L130-L134 PolarHBondContact O-N 2.79Å; L130-T153 HydrophobicContact CD1-CG2 3.78Å; L130-T153 HydrophobicContact CD2-CG2 4.27Å; L130-T153 HydrophobicContact CG-CG2 4.08Å; L130-R156 HydrophobicContact CD1-CB 4Å; L130-R156 HydrophobicContact CD1-CG 3.82Å; L130-A157 HydrophobicContact CD1-CB 4.28Å; L130-A157 HydrophobicContact CD2-CB 4.22Å; L130-M160 HydrophobicContact CB-CE 3.9Å; L130-M160 HydrophobicContact CB-SD 4.17Å
131Q97.9Very high97.7Very high100 Ų10052.4 Ų52.447%0.46724%0.243SC..Hα-helixtrans-65.9-37.8179.2-171.65830.800112E127 E129 A133 L134E127-Q131 WeakPolarHBondContact O-CB 3.49Å; E127-Q131 PolarHBondContact O-N 2.98Å; E129-Q131 VanDerWaalsContact C-N 3.28Å; E129-Q131 PolarHBondContact O-N 3.43Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 3.05Å; Q131-L134 VanDerWaalsContact O-CB 3.31Å; Q131-L134 WeakPolarHBondContact O-CB 3.32Å; Q131-L134 PolarHBondContact O-N 3.03Å
132K97.9Very high97.7Very high117 Ų11752.4 Ų52.451%0.50924%0.243SC..Hα-helixtrans-65.2-31.6172.5-72171.8-173167.40112W89 E128 E129 L130W89-K132 HydrophobicContact CZ2-CB 4.44Å; E128-K132 WeakPolarHBondContact O-CG 3.42Å; E128-K132 PolarHBondContact O-N 3.48Å; E128-K132 VanDerWaalsContact O-N 3.13Å; E128-K132 WeakPolarHBondContact OE1-CE 3.19Å; E128-K132 IonicContact OE1-NZ 2.63Å; E128-K132 PolarHBondContact OE1-NZ 3.33Å; E129-K132 PolarHBondContact O-N 3.25Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3Å
133A97.8Very high97.7Very high0 Ų052.4 Ų52.40%024%0.243CC..Hα-helixtrans-90.1-0.9177.600000114.7I62 F87 W89 E129 L130 Q131 T135 A136 I137I62-A133 HydrophobicContact CD1-CB 3.52Å; I62-A133 HydrophobicContact CG1-CB 4.02Å; I62-A133 HydrophobicContact CG2-CB 4.45Å; F87-A133 HydrophobicContact CB-CB 4.38Å; F87-A133 HydrophobicContact CD1-CB 3.61Å; F87-A133 HydrophobicContact CE1-CB 4.04Å; F87-A133 HydrophobicContact CG-CB 3.96Å; W89-A133 HydrophobicContact CH2-CB 4.07Å; E129-A133 PolarHBondContact O-N 2.95Å; L130-A133 CarbonylContact O-C 3.58Å; L130-A133 WeakPolarHBondContact O-CA 3.49Å; L130-A133 PolarHBondContact O-N 3.19Å; L130-A133 VanDerWaalsContact O-N 3.09Å; Q131-A133 VanDerWaalsContact C-N 3.27Å; Q131-A133 PolarHBondContact O-N 3.05Å; A133-T135 PolarHBondContact O-N 3.37Å; A133-T135 VanDerWaalsContact O-N 3.08Å; A133-A136 WeakPolarHBondContact O-CA 3.35Å; A133-A136 WeakPolarHBondContact O-CB 3.4Å; A133-A136 PolarHBondContact O-N 2.7Å; A133-I137 PolarHBondContact O-N 3.14Å
134L97.1Very high97.8Very high41 Ų4148 Ų4822%0.21522%0.221CC..Hα-helixtrans-53.8-37.3-173.9178.461.5000113.3L130 Q131 A136 I137 R138 M160L130-L134 PolarHBondContact O-N 2.79Å; Q131-L134 VanDerWaalsContact O-CB 3.31Å; Q131-L134 WeakPolarHBondContact O-CB 3.32Å; Q131-L134 PolarHBondContact O-N 3.03Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 3.25Å; L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 2.86Å; L134-M160 HydrophobicContact CD1-CB 4.4Å; L134-M160 HydrophobicContact CD1-CG 4.29Å; L134-M160 HydrophobicContact CD1-SD 3.96Å
135T96.6Very high97.8Very high59 Ų5941.4 Ų41.436%0.36220%0.197SC..Hα-helixtrans-66.9-35.3177.9-67.80000112.5A133 R138 K139A133-T135 PolarHBondContact O-N 3.37Å; A133-T135 VanDerWaalsContact O-N 3.08Å; T135-R138 PolarHBondContact OG1-NH2 3.46Å; T135-K139 HydrophobicContact CG2-CD 4.15Å; T135-K139 WeakPolarHBondContact O-CB 3.38Å; T135-K139 WeakPolarHBondContact O-CG 3.49Å; T135-K139 PolarHBondContact O-N 3.5Å
136A97.1Very high97.8Very high5 Ų541.2 Ų41.24%0.04120%0.196CC..Hα-helixtrans-69.7-43.5174.600000110.9F6 F87 A133 L134 K139 A140F6-A136 HydrophobicContact CD2-CB 3.9Å; F6-A136 HydrophobicContact CE2-CB 3.83Å; F87-A136 HydrophobicContact CD2-CB 4.19Å; F87-A136 HydrophobicContact CE2-CB 3.43Å; F87-A136 VanDerWaalsContact CE2-CB 3.43Å; F87-A136 HydrophobicContact CZ-CB 3.66Å; A133-A136 WeakPolarHBondContact O-CA 3.35Å; A133-A136 WeakPolarHBondContact O-CB 3.4Å; A133-A136 PolarHBondContact O-N 2.7Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.04Å; A136-K139 PolarHBondContact O-N 2.94Å; A136-A140 PolarHBondContact O-N 2.76Å; A136-A140 VanDerWaalsContact O-N 3.16Å
137I98.1Very high97.8Very high0 Ų041.2 Ų41.20%019%0.191CC..Hα-helixtrans-57.2-57.8177.1-65.9170.2000110.4V9 I62 A133 L134 K139 A140 L143 M160 A161 V166V9-I137 HydrophobicContact CG1-CG1 4.44Å; I62-I137 HydrophobicContact CD1-CD1 4.04Å; I62-I137 HydrophobicContact CD1-CG1 3.72Å; A133-I137 PolarHBondContact O-N 3.14Å; L134-I137 PolarHBondContact O-N 3.25Å; I137-K139 PolarHBondContact O-N 3.07Å; I137-K139 VanDerWaalsContact O-N 3.12Å; I137-A140 WeakPolarHBondContact O-CB 3.39Å; I137-A140 PolarHBondContact O-N 3.31Å; I137-A140 VanDerWaalsContact O-N 3.1Å; I137-L143 HydrophobicContact CB-CD1 4.34Å; I137-L143 HydrophobicContact CD1-CD1 4.45Å; I137-L143 HydrophobicContact CG1-CD1 3.97Å; I137-L143 HydrophobicContact CG2-CD1 3.7Å; I137-M160 HydrophobicContact CD1-SD 4.01Å; I137-M160 HydrophobicContact CG2-CB 4.05Å; I137-A161 HydrophobicContact CG2-CB 4.26Å; I137-V166 WeakPolarHBondContact O-CG2 3.4Å
138R96.8Very high97.9Very high119 Ų11938.3 Ų38.345%0.44918%0.178SC..Hα-helixtrans-65.6-18.5-174.475.9-174.6177.5165-4.8114.9L134 T135 N164L134-R138 WeakPolarHBondContact O-CG 3.41Å; L134-R138 PolarHBondContact O-N 2.86Å; T135-R138 PolarHBondContact OG1-NH2 3.46Å; R138-N164 HydrophobicContact CB-CB 3.87Å
139K95.8Very high97.9Very high69 Ų6932.8 Ų32.830%0.315%0.152SC..THydrogen-bonded Turntrans-102.1-0.9-180-69.6-171.5169.1-170.90112.6D3 A5 T135 A136 I137D3-K139 IonicContact OD1-NZ 2.63Å; D3-K139 PolarHBondContact OD1-NZ 2.92Å; D3-K139 IonicContact OD2-NZ 2.83Å; D3-K139 PolarHBondContact OD2-NZ 2.95Å; A5-K139 HydrophobicContact CB-CB 4.45Å; T135-K139 HydrophobicContact CG2-CD 4.15Å; T135-K139 WeakPolarHBondContact O-CB 3.38Å; T135-K139 WeakPolarHBondContact O-CG 3.49Å; T135-K139 PolarHBondContact O-N 3.5Å; A136-K139 PolarHBondContact O-N 2.94Å; I137-K139 PolarHBondContact O-N 3.07Å; I137-K139 VanDerWaalsContact O-N 3.12Å
140A98Very high97.9Very high9 Ų933.3 Ų33.37%0.07416%0.158CC..  trans-72.4157.7175.500000110.8F6 V9 A136 I137 V166F6-A140 VanDerWaalsContact O-CA 3.29Å; F6-A140 WeakPolarHBondContact O-CA 3.4Å; V9-A140 HydrophobicContact CB-CB 4.06Å; V9-A140 HydrophobicContact CG2-CB 3.6Å; A136-A140 PolarHBondContact O-N 2.76Å; A136-A140 VanDerWaalsContact O-N 3.16Å; I137-A140 WeakPolarHBondContact O-CB 3.39Å; I137-A140 PolarHBondContact O-N 3.31Å; I137-A140 VanDerWaalsContact O-N 3.1Å; A140-V166 HydrophobicContact CB-CG1 4.02Å; A140-V166 WeakPolarHBondContact O-CG2 3.17Å
141K98.1Very high97.9Very high89 Ų8935.7 Ų35.739%0.38718%0.175SC..SBendtrans-86-34.4167.4-57179.1-178.3160.50111.6F6 D7 R167 A274F6-K141 PolarHBondContact O-N 2.63Å; D7-K141 WeakPolarHBondContact O-CB 3.48Å; D7-K141 PolarHBondContact O-N 3.37Å; D7-K141 VanDerWaalsContact OD1-CE 3.26Å; D7-K141 WeakPolarHBondContact OD1-CE 3.42Å; D7-K141 IonicContact OD1-NZ 2.76Å; D7-K141 PolarHBondContact OD1-NZ 2.89Å; K141-R167 PolarHBondContact O-N 3.1Å; K141-A274 HydrophobicContact CB-CB 4.22Å; K141-A274 HydrophobicContact CD-CB 4.29Å; K141-A274 WeakPolarHBondContact CD-O 3.2Å; K141-A274 PolarHBondContact NZ-O 3.12Å
142V98.8Very high97.9Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-136.8137.5-179.9-177.40000110D7 V8 V9 V144 R167 I169 A270 L273 A274D7-V142 PolarHBondContact O-N 3.31Å; D7-V142 VanDerWaalsContact O-N 3.08Å; V8-V142 WeakPolarHBondContact CA-O 3.39Å; V8-V142 HydrophobicContact CG2-CB 4.41Å; V9-V142 PolarHBondContact N-O 2.96Å; V142-V144 HydrophobicContact CG1-CG2 4.17Å; V142-R167 CarbonylContact C-O 3.58Å; V142-R167 VanDerWaalsContact CA-O 3.24Å; V142-R167 WeakPolarHBondContact CA-O 3.36Å; V142-R167 HydrophobicContact CG2-CB 4.38Å; V142-I169 HydrophobicContact CG1-CD1 3.95Å; V142-I169 HydrophobicContact CG1-CG1 4.17Å; V142-A270 HydrophobicContact CG1-CB 4.41Å; V142-L273 HydrophobicContact CG2-CB 3.66Å; V142-A274 HydrophobicContact CG2-CB 3.88Å
143L98.9Very high97.9Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-113.7134167.5-178.4136.5000110V9 V11 I137 L158 A161 V166 R167 T168 I169V9-L143 HydrophobicContact CG1-CD1 4.42Å; V9-L143 CarbonylContact O-C 3.42Å; V9-L143 VanDerWaalsContact O-CA 3.27Å; V9-L143 WeakPolarHBondContact O-CA 3.47Å; V11-L143 HydrophobicContact CG2-CD1 3.96Å; I137-L143 HydrophobicContact CB-CD1 4.34Å; I137-L143 HydrophobicContact CD1-CD1 4.45Å; I137-L143 HydrophobicContact CG1-CD1 3.97Å; I137-L143 HydrophobicContact CG2-CD1 3.7Å; L143-L158 HydrophobicContact CD2-CD2 3.81Å; L143-L158 HydrophobicContact CD2-CG 4.32Å; L143-A161 HydrophobicContact CB-CB 3.72Å; L143-A161 HydrophobicContact CD1-CB 4.02Å; L143-A161 HydrophobicContact CD2-CB 4.1Å; L143-A161 HydrophobicContact CG-CB 4.15Å; L143-V166 HydrophobicContact CB-CG1 4.16Å; L143-R167 PolarHBondContact N-O 2.92Å; L143-T168 WeakPolarHBondContact O-CA 3.34Å; L143-I169 PolarHBondContact O-N 3.3Å
144V98.9Very high97.9Very high2 Ų233.2 Ų33.21%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-118133178.6-167.50000110.4V8 V9 V10 V11 Q48 V142 I169 I266 A270V8-V144 HydrophobicContact CG1-CG2 3.98Å; V9-V144 PolarHBondContact O-N 3.42Å; V10-V144 WeakPolarHBondContact CA-O 3.4Å; V10-V144 HydrophobicContact CG1-CB 4.3Å; V10-V144 HydrophobicContact CG2-CB 4.09Å; V10-V144 HydrophobicContact CG2-CG2 4.31Å; V11-V144 PolarHBondContact N-O 3.12Å; Q48-V144 VanDerWaalsContact OE1-CG1 3.28Å; V142-V144 HydrophobicContact CG1-CG2 4.17Å; V144-I169 WeakPolarHBondContact CA-O 3.11Å; V144-I169 HydrophobicContact CG1-CB 4.24Å; V144-I169 HydrophobicContact CG1-CG2 4.38Å; V144-I169 HydrophobicContact CG2-CB 4.29Å; V144-I169 HydrophobicContact CG2-CD1 4.16Å; V144-I266 HydrophobicContact CG1-CG2 3.89Å; V144-A270 HydrophobicContact CG2-CB 3.84Å
145C98.9Very high98Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-132.4155.3173.8-76.60000112.8L158 I169 F170 N171C145-L158 HydrophobicContact CB-CD1 4.14Å; C145-L158 HydrophobicContact CB-CD2 4.07Å; C145-L158 HydrophobicContact CB-CG 3.98Å; C145-I169 PolarHBondContact N-O 3.12Å; C145-F170 HydrophobicContact CB-CD2 4.12Å; C145-F170 WeakPolarHBondContact O-CD2 3.33Å; C145-N171 PolarHBondContact O-N 3.15Å
146Q98.8Very high98.1Very high0 Ų032.8 Ų32.80%016%0.156CC..  trans-133-170.2172-39.67733.100111.6K44 S154 N171K44-Q146 HydrophobicContact CB-CB 4.3Å; K44-Q146 HydrophobicContact CB-CG 3.9Å; Q146-S154 WeakPolarHBondContact O-CB 3.01Å; Q146-S154 PolarHBondContact O-OG 3.41Å; Q146-N171 WeakPolarHBondContact CA-O 3.31Å; Q146-N171 HydrophobicContact CG-CB 4.22Å
147L98.1Very high98.2Very high18 Ų1832.6 Ų32.69%0.09415%0.154CC..SBendtrans-11229.2-179.3-68.1177.3000114F170 P172 A173 P174 I176 L179 F183L147-F170 HydrophobicContact CD1-CZ 4.03Å; L147-F170 HydrophobicContact CD2-CE2 4.08Å; L147-F170 HydrophobicContact CD2-CZ 3.86Å; L147-F170 HydrophobicContact CG-CE2 4.04Å; L147-F170 HydrophobicContact CG-CZ 3.78Å; L147-P172 HydrophobicContact CD1-CB 4.12Å; L147-A173 PolarHBondContact N-O 3.36Å; L147-P174 WeakPolarHBondContact CD1-O 3.22Å; L147-I176 HydrophobicContact CD1-CD1 4.43Å; L147-I176 HydrophobicContact CD1-CG1 4.16Å; L147-L179 HydrophobicContact CD1-CD1 3.93Å; L147-L179 HydrophobicContact CD2-CD1 4.36Å; L147-F183 HydrophobicContact CD2-CE1 4.27Å; L147-F183 HydrophobicContact CD2-CZ 3.9Å
148E97.5Very high98.2Very high34 Ų3432.6 Ų32.616%0.15915%0.154CC..SBendtrans-99.28.9174.1-70.7-171.615500114S13 K44S13-E148 WeakPolarHBondContact CB-OE2 3.38Å; S13-E148 WeakPolarHBondContact OG-CB 3.39Å; S13-E148 PolarHBondContact OG-OE2 3.23Å; K44-E148 HydrophobicContact CD-CG 4.06Å; K44-E148 HydrophobicContact CG-CG 4.44Å; K44-E148 PolarHBondContact N-OE2 3.36Å
149I98.5Very high98.3Very high7 Ų730 Ų304%0.03615%0.147CC..SBendtrans-121.9-178.6166.761.1170.7000108.3V11 N122 L125 S151 T153 S154V11-I149 HydrophobicContact CG1-CD1 4.04Å; N122-I149 HydrophobicContact CB-CG2 4.12Å; L125-I149 HydrophobicContact CD2-CD1 3.87Å; L125-I149 HydrophobicContact CD2-CG2 4.42Å; I149-S151 PolarHBondContact O-N 3.44Å; I149-T153 HydrophobicContact CD1-CG2 3.93Å; I149-S154 WeakPolarHBondContact CD1-OG 3.48Å; I149-S154 WeakPolarHBondContact CG1-OG 3.46Å
150S97.8Very high98.4Very high30 Ų3027 Ų2721%0.2113%0.134CC..  trans-55125.2171.6175.50000110.7Q152 T153 S154S150-Q152 PolarHBondContact O-N 2.73Å; S150-T153 WeakPolarHBondContact O-CA 3.49Å; S150-T153 WeakPolarHBondContact O-CB 3.41Å; S150-T153 PolarHBondContact O-N 3.31Å; S150-S154 PolarHBondContact O-N 3.3Å; S150-S154 VanDerWaalsContact O-N 3.11Å
151S97.6Very high98.5Very high50 Ų5026.5 Ų26.535%0.3513%0.13SC..Hα-helixtrans-56.5-35.2179.457.80000112.1I149 T153 S154 L155 F183I149-S151 PolarHBondContact O-N 3.44Å; S151-T153 VanDerWaalsContact C-N 3.27Å; S151-T153 PolarHBondContact O-N 3.11Å; S151-S154 PolarHBondContact O-N 3.32Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.39Å; S151-F183 VanDerWaalsContact O-CZ 3.22Å; S151-F183 WeakPolarHBondContact O-CZ 3.42Å
152Q98Very high98.4Very high155 Ų15526.2 Ų26.272%0.72413%0.13SC*.Hα-helixtrans-60.4-38174.5-66.4177.7-6.700112.1S150 R156S150-Q152 PolarHBondContact O-N 2.73Å; Q152-R156 VanDerWaalsContact O-CB 3.24Å; Q152-R156 WeakPolarHBondContact O-CB 3.37Å; Q152-R156 PolarHBondContact O-N 3.43Å
153T98.6Very high98.4Very high11 Ų1131.6 Ų31.67%0.06716%0.159CC..Hα-helixtrans-71.3-43.4178.2-57.20000111L125 L130 I149 S150 S151 R156 A157L125-T153 HydrophobicContact CD2-CG2 4.17Å; L125-T153 HydrophobicContact CG-CG2 4.05Å; L125-T153 PolarHBondContact O-OG1 3.16Å; L130-T153 HydrophobicContact CD1-CG2 3.78Å; L130-T153 HydrophobicContact CD2-CG2 4.27Å; L130-T153 HydrophobicContact CG-CG2 4.08Å; I149-T153 HydrophobicContact CD1-CG2 3.93Å; S150-T153 WeakPolarHBondContact O-CA 3.49Å; S150-T153 WeakPolarHBondContact O-CB 3.41Å; S150-T153 PolarHBondContact O-N 3.31Å; S151-T153 VanDerWaalsContact C-N 3.27Å; S151-T153 PolarHBondContact O-N 3.11Å; T153-R156 PolarHBondContact O-N 2.62Å; T153-A157 WeakPolarHBondContact O-CB 3.47Å; T153-A157 PolarHBondContact O-N 2.88Å
154S98.7Very high98.3Very high0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-60.3-47.7174-61.90000111.9Q146 I149 S150 S151 R156 A157 L158Q146-S154 WeakPolarHBondContact O-CB 3.01Å; Q146-S154 PolarHBondContact O-OG 3.41Å; I149-S154 WeakPolarHBondContact CD1-OG 3.48Å; I149-S154 WeakPolarHBondContact CG1-OG 3.46Å; S150-S154 PolarHBondContact O-N 3.3Å; S150-S154 VanDerWaalsContact O-N 3.11Å; S151-S154 PolarHBondContact O-N 3.32Å; S154-R156 VanDerWaalsContact C-N 3.31Å; S154-R156 PolarHBondContact O-N 3.36Å; S154-A157 PolarHBondContact O-N 3.35Å; S154-L158 WeakPolarHBondContact O-CG 3.39Å; S154-L158 PolarHBondContact O-N 2.88Å
155L98.8Very high98.2Very high18 Ų1844.5 Ų44.59%0.09422%0.218CC..Hα-helixtrans-60.1-44.2179179.856.7000111.2S151 A157 L158 Q159 D180 F183 V186S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.39Å; L155-A157 PolarHBondContact O-N 3.18Å; L155-L158 PolarHBondContact O-N 3.03Å; L155-Q159 HydrophobicContact CD1-CG 4.38Å; L155-Q159 VanDerWaalsContact O-CG 3.28Å; L155-Q159 WeakPolarHBondContact O-CG 3.47Å; L155-Q159 PolarHBondContact O-N 3.32Å; L155-D180 HydrophobicContact CD2-CB 4.31Å; L155-F183 HydrophobicContact CB-CD2 4.48Å; L155-F183 HydrophobicContact CB-CE1 3.95Å; L155-F183 HydrophobicContact CB-CE2 3.91Å; L155-F183 HydrophobicContact CB-CZ 3.64Å; L155-F183 HydrophobicContact CD1-CD1 4.26Å; L155-F183 HydrophobicContact CD1-CD2 4.23Å; L155-F183 HydrophobicContact CD1-CE2 4.49Å; L155-F183 HydrophobicContact CD1-CG 4.13Å; L155-F183 HydrophobicContact CD2-CE2 4.49Å; L155-V186 HydrophobicContact CD1-CG2 4.17Å
156R98.8Very high98.2Very high73 Ų7344.7 Ų44.728%0.27522%0.22SC..Hα-helixtrans-62.2-43.5177.9-18068-179.8119.3-0.1112.4E127 L130 Q152 T153 S154 Q159 M160E127-R156 IonicContact OE1-CZ 3.63Å; E127-R156 IonicContact OE1-NE 3.21Å; E127-R156 PolarHBondContact OE1-NE 3.44Å; E127-R156 VanDerWaalsContact OE1-NE 3.17Å; E127-R156 IonicContact OE1-NH2 3.27Å; E127-R156 PolarHBondContact OE1-NH2 3.01Å; E127-R156 VanDerWaalsContact OE2-CG 3.28Å; E127-R156 WeakPolarHBondContact OE2-CG 3.4Å; E127-R156 IonicContact OE2-NE 3.76Å; E127-R156 PolarHBondContact OE2-NE 3.23Å; L130-R156 HydrophobicContact CD1-CB 4Å; L130-R156 HydrophobicContact CD1-CG 3.82Å; Q152-R156 VanDerWaalsContact O-CB 3.24Å; Q152-R156 WeakPolarHBondContact O-CB 3.37Å; Q152-R156 PolarHBondContact O-N 3.43Å; T153-R156 PolarHBondContact O-N 2.62Å; S154-R156 VanDerWaalsContact C-N 3.31Å; S154-R156 PolarHBondContact O-N 3.36Å; R156-Q159 PolarHBondContact O-N 3.24Å; R156-M160 HydrophobicContact CG-CE 4.04Å; R156-M160 VanDerWaalsContact CZ-CE 3.44Å; R156-M160 VanDerWaalsContact NH2-CE 3.33Å; R156-M160 WeakPolarHBondContact O-CG 3.37Å; R156-M160 PolarHBondContact O-N 3.27Å
157A98.8Very high98.2Very high0 Ų047.8 Ų47.80%023%0.231CC..Hα-helixtrans-62.2-43.2177.200000112.1V11 L130 T153 S154 L155 M160 A161V11-A157 HydrophobicContact CB-CB 4.06Å; V11-A157 HydrophobicContact CG1-CB 3.96Å; V11-A157 HydrophobicContact CG2-CB 3.9Å; L130-A157 HydrophobicContact CD1-CB 4.28Å; L130-A157 HydrophobicContact CD2-CB 4.22Å; T153-A157 WeakPolarHBondContact O-CB 3.47Å; T153-A157 PolarHBondContact O-N 2.88Å; S154-A157 PolarHBondContact O-N 3.35Å; L155-A157 PolarHBondContact O-N 3.18Å; A157-M160 PolarHBondContact O-N 3.45Å; A157-A161 PolarHBondContact O-N 3.38Å
158L98.8Very high98.2Very high0 Ų047 Ų470%023%0.227CC..Hα-helixtrans-63.3-42175-69164.1000112L143 C145 S154 L155 A161 H162 T168 F170 F183 V186L143-L158 HydrophobicContact CD2-CD2 3.81Å; L143-L158 HydrophobicContact CD2-CG 4.32Å; C145-L158 HydrophobicContact CB-CD1 4.14Å; C145-L158 HydrophobicContact CB-CD2 4.07Å; C145-L158 HydrophobicContact CB-CG 3.98Å; S154-L158 WeakPolarHBondContact O-CG 3.39Å; S154-L158 PolarHBondContact O-N 2.88Å; L155-L158 PolarHBondContact O-N 3.03Å; L158-A161 PolarHBondContact O-N 2.77Å; L158-H162 VanDerWaalsContact O-CB 3.29Å; L158-H162 WeakPolarHBondContact O-CB 3.44Å; L158-H162 PolarHBondContact O-N 3.19Å; L158-T168 HydrophobicContact CD2-CG2 3.86Å; L158-F170 HydrophobicContact CD1-CB 4.04Å; L158-F170 HydrophobicContact CD1-CD2 3.68Å; L158-F170 HydrophobicContact CD1-CE2 4.34Å; L158-F170 HydrophobicContact CD1-CG 3.89Å; L158-F170 HydrophobicContact CD2-CB 4.25Å; L158-F183 HydrophobicContact CD1-CD1 3.56Å; L158-F183 HydrophobicContact CD1-CE1 3.82Å; L158-V186 HydrophobicContact CB-CB 4.33Å; L158-V186 HydrophobicContact CB-CG2 3.46Å; L158-V186 VanDerWaalsContact CB-CG2 3.46Å; L158-V186 HydrophobicContact CD1-CG2 4.21Å; L158-V186 HydrophobicContact CG-CG2 4.41Å
159Q98.7Very high98.3Very high66 Ų6645.3 Ų45.331%0.30822%0.219SC..Hα-helixtrans-60.6-45.8173.6-73.6167-12.900111.7L155 R156 A161 H162 D163 V186L155-Q159 HydrophobicContact CD1-CG 4.38Å; L155-Q159 VanDerWaalsContact O-CG 3.28Å; L155-Q159 WeakPolarHBondContact O-CG 3.47Å; L155-Q159 PolarHBondContact O-N 3.32Å; R156-Q159 PolarHBondContact O-N 3.24Å; Q159-A161 VanDerWaalsContact C-N 3.29Å; Q159-A161 PolarHBondContact O-N 2.91Å; Q159-H162 PolarHBondContact O-N 2.71Å; Q159-D163 WeakPolarHBondContact O-CB 3.39Å; Q159-D163 PolarHBondContact O-N 3.15Å; Q159-V186 HydrophobicContact CG-CG1 4Å
160M98.5Very high98.3Very high4 Ų445 Ų452%0.0222%0.218CC..Hα-helixtrans-58.1-41.7175.9-72.2-179.3177.900111.8L130 L134 I137 R156 A157 N164L130-M160 HydrophobicContact CB-CE 3.9Å; L130-M160 HydrophobicContact CB-SD 4.17Å; L134-M160 HydrophobicContact CD1-CB 4.4Å; L134-M160 HydrophobicContact CD1-CG 4.29Å; L134-M160 HydrophobicContact CD1-SD 3.96Å; I137-M160 HydrophobicContact CD1-SD 4.01Å; I137-M160 HydrophobicContact CG2-CB 4.05Å; R156-M160 HydrophobicContact CG-CE 4.04Å; R156-M160 VanDerWaalsContact CZ-CE 3.44Å; R156-M160 VanDerWaalsContact NH2-CE 3.33Å; R156-M160 WeakPolarHBondContact O-CG 3.37Å; R156-M160 PolarHBondContact O-N 3.27Å; A157-M160 PolarHBondContact O-N 3.45Å; M160-N164 PolarHBondContact O-N 3.34Å; M160-N164 PolarHBondContact O-ND2 3.42Å
161A98.5Very high98.4Very high0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-65.9-51.8175.900000111.9I137 L143 A157 L158 Q159 D163 N164 K165 V166 T168I137-A161 HydrophobicContact CG2-CB 4.26Å; L143-A161 HydrophobicContact CB-CB 3.72Å; L143-A161 HydrophobicContact CD1-CB 4.02Å; L143-A161 HydrophobicContact CD2-CB 4.1Å; L143-A161 HydrophobicContact CG-CB 4.15Å; A157-A161 PolarHBondContact O-N 3.38Å; L158-A161 PolarHBondContact O-N 2.77Å; Q159-A161 VanDerWaalsContact C-N 3.29Å; Q159-A161 PolarHBondContact O-N 2.91Å; A161-D163 PolarHBondContact O-N 2.69Å; A161-N164 CarbonylContact O-C 3.57Å; A161-N164 WeakPolarHBondContact O-CA 3.49Å; A161-N164 PolarHBondContact O-N 3.13Å; A161-K165 PolarHBondContact O-N 2.71Å; A161-K165 VanDerWaalsContact O-N 3.11Å; A161-V166 HydrophobicContact CB-CB 3.92Å; A161-V166 HydrophobicContact CB-CG1 4.16Å; A161-V166 WeakPolarHBondContact O-CB 3.07Å; A161-V166 PolarHBondContact O-N 2.86Å; A161-T168 HydrophobicContact CB-CG2 3.62Å
162H97.6Very high98.4Very high82 Ų8241.5 Ų41.538%0.3819%0.192SC..Hα-helixtrans-56.4-48.4-180175.4-84.9000112L158 Q159 N164 K165 V186L158-H162 VanDerWaalsContact O-CB 3.29Å; L158-H162 WeakPolarHBondContact O-CB 3.44Å; L158-H162 PolarHBondContact O-N 3.19Å; Q159-H162 PolarHBondContact O-N 2.71Å; H162-N164 PolarHBondContact O-N 2.69Å; H162-N164 VanDerWaalsContact O-N 3.16Å; H162-K165 PolarHBondContact O-N 3.33Å; H162-V186 HydrophobicContact CB-CB 4.14Å; H162-V186 HydrophobicContact CB-CG1 4.36Å
163D97.6Very high98.3Very high114 Ų11434.1 Ų34.161%0.6116%0.158SC*.Hα-helixtrans-62.4-24.7178.9-67.5-13.8000112.8Q159 A161Q159-D163 WeakPolarHBondContact O-CB 3.39Å; Q159-D163 PolarHBondContact O-N 3.15Å; A161-D163 PolarHBondContact O-N 2.69Å
164N97.6Very high98Very high73 Ų7336.9 Ų36.939%0.3918%0.176SC..THydrogen-bonded Turntrans-100.111.9176.8-71.7-88.4000113.3R138 M160 A161 H162 V166R138-N164 HydrophobicContact CB-CB 3.87Å; M160-N164 PolarHBondContact O-N 3.34Å; M160-N164 PolarHBondContact O-ND2 3.42Å; A161-N164 CarbonylContact O-C 3.57Å; A161-N164 WeakPolarHBondContact O-CA 3.49Å; A161-N164 PolarHBondContact O-N 3.13Å; H162-N164 PolarHBondContact O-N 2.69Å; H162-N164 VanDerWaalsContact O-N 3.16Å; N164-V166 HydrophobicContact CB-CG2 4.35Å; N164-V166 PolarHBondContact O-N 3.44Å
165K97.4Very high97.7Very high199 Ų19937.8 Ų37.887%0.86518%0.184SC*.THydrogen-bonded Turntrans59.829.8178.8-51.9176.2-179.3-179.60113.8A161 H162A161-K165 PolarHBondContact O-N 2.71Å; A161-K165 VanDerWaalsContact O-N 3.11Å; H162-K165 PolarHBondContact O-N 3.33Å
166V98.3Very high97.4Very high5 Ų540 Ų403%0.0320%0.195CC..  trans-88.4132.1171.4176.20000107.6I137 A140 L143 A161 N164I137-V166 WeakPolarHBondContact O-CG2 3.4Å; A140-V166 HydrophobicContact CB-CG1 4.02Å; A140-V166 WeakPolarHBondContact O-CG2 3.17Å; L143-V166 HydrophobicContact CB-CG1 4.16Å; A161-V166 HydrophobicContact CB-CB 3.92Å; A161-V166 HydrophobicContact CB-CG1 4.16Å; A161-V166 WeakPolarHBondContact O-CB 3.07Å; A161-V166 PolarHBondContact O-N 2.86Å; N164-V166 HydrophobicContact CB-CG2 4.35Å; N164-V166 PolarHBondContact O-N 3.44Å
167R98.3Very high96.8Very high65 Ų6540.3 Ų40.325%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-65.5138.4-178.6-81.1-175-68.8-178.8-9.4111.4K141 V142 L143 D188 L273K141-R167 PolarHBondContact O-N 3.1Å; V142-R167 CarbonylContact C-O 3.58Å; V142-R167 VanDerWaalsContact CA-O 3.24Å; V142-R167 WeakPolarHBondContact CA-O 3.36Å; V142-R167 HydrophobicContact CG2-CB 4.38Å; L143-R167 PolarHBondContact N-O 2.92Å; R167-D188 WeakPolarHBondContact CA-OD2 3.37Å; R167-L273 VanDerWaalsContact NH1-CD2 3.3Å; R167-L273 PolarHBondContact NH1-O 3.04Å; R167-L273 VanDerWaalsContact NH2-C 3.3Å; R167-L273 PolarHBondContact NH2-O 2.97Å
168T98.9Very high96.4Very high0 Ų047.7 Ų47.70%025%0.246CC..EExtended strand (participates in β ladder)trans-111130-178.853.50000112.3L143 L158 A161 V186 S187 D188 V189L143-T168 WeakPolarHBondContact O-CA 3.34Å; L158-T168 HydrophobicContact CD2-CG2 3.86Å; A161-T168 HydrophobicContact CB-CG2 3.62Å; T168-V186 WeakPolarHBondContact CB-O 3.07Å; T168-V186 PolarHBondContact OG1-O 3.08Å; T168-S187 WeakPolarHBondContact OG1-CA 3.34Å; T168-D188 PolarHBondContact N-OD2 3.47Å; T168-D188 WeakPolarHBondContact O-CB 3.12Å; T168-D188 PolarHBondContact O-N 2.86Å; T168-D188 PolarHBondContact OG1-N 3.45Å; T168-D188 PolarHBondContact OG1-OD2 3.11Å; T168-V189 PolarHBondContact O-N 3.08Å
169I98.9Very high96.3Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-106125.3159.4-58.8163.8000107.5V142 L143 V144 C145 V189 I266 L269 A270 L273V142-I169 HydrophobicContact CG1-CD1 3.95Å; V142-I169 HydrophobicContact CG1-CG1 4.17Å; L143-I169 PolarHBondContact O-N 3.3Å; V144-I169 WeakPolarHBondContact CA-O 3.11Å; V144-I169 HydrophobicContact CG1-CB 4.24Å; V144-I169 HydrophobicContact CG1-CG2 4.38Å; V144-I169 HydrophobicContact CG2-CB 4.29Å; V144-I169 HydrophobicContact CG2-CD1 4.16Å; C145-I169 PolarHBondContact N-O 3.12Å; I169-V189 WeakPolarHBondContact CA-O 3.46Å; I169-V189 HydrophobicContact CG1-CB 4.3Å; I169-I266 HydrophobicContact CG2-CG2 4.1Å; I169-L269 HydrophobicContact CD1-CD2 4.37Å; I169-L269 HydrophobicContact CD1-CG 4.2Å; I169-A270 HydrophobicContact CD1-CB 3.67Å; I169-L273 HydrophobicContact CD1-CD1 3.61Å; I169-L273 HydrophobicContact CG1-CD1 3.57Å
170F98.9Very high96.3Very high0 Ų049.3 Ų49.30%026%0.256CS..EExtended strand (participates in β ladder)trans-116.5126.1170.2178.4-123.5000110.2C145 L147 L158 P172 L179 F183 S187 V189 F190 C191C145-F170 HydrophobicContact CB-CD2 4.12Å; C145-F170 WeakPolarHBondContact O-CD2 3.33Å; L147-F170 HydrophobicContact CD1-CZ 4.03Å; L147-F170 HydrophobicContact CD2-CE2 4.08Å; L147-F170 HydrophobicContact CD2-CZ 3.86Å; L147-F170 HydrophobicContact CG-CE2 4.04Å; L147-F170 HydrophobicContact CG-CZ 3.78Å; L158-F170 HydrophobicContact CD1-CB 4.04Å; L158-F170 HydrophobicContact CD1-CD2 3.68Å; L158-F170 HydrophobicContact CD1-CE2 4.34Å; L158-F170 HydrophobicContact CD1-CG 3.89Å; L158-F170 HydrophobicContact CD2-CB 4.25Å; F170-P172 HydrophobicContact CD1-CB 4.41Å; F170-P172 HydrophobicContact CE1-CB 3.64Å; F170-P172 HydrophobicContact CZ-CB 3.91Å; F170-L179 HydrophobicContact CE1-CD2 3.93Å; F170-L179 HydrophobicContact CZ-CD1 4.34Å; F170-F183 HydrophobicContact CD1-CB 4.14Å; F170-F183 AromaticContact CD1-CD1 3.94Å; F170-F183 HydrophobicContact CD1-CD1 3.94Å; F170-F183 HydrophobicContact CD1-CG 4.42Å; F170-F183 AromaticContact CD2-CD1 3.99Å; F170-F183 HydrophobicContact CD2-CD1 3.99Å; F170-F183 HydrophobicContact CD2-CE1 4.21Å; F170-F183 HydrophobicContact CE1-CB 3.78Å; F170-F183 AromaticContact CE1-CD1 3.5Å; F170-F183 HydrophobicContact CE1-CD1 3.5Å; F170-F183 HydrophobicContact CE1-CE1 4.24Å; F170-F183 AromaticContact CE1-CG 3.82Å; F170-F183 HydrophobicContact CE1-CG 3.82Å; F170-F183 AromaticContact CE2-CD1 3.56Å; F170-F183 HydrophobicContact CE2-CD1 3.56Å; F170-F183 AromaticContact CE2-CE1 3.54Å; F170-F183 HydrophobicContact CE2-CE1 3.54Å; F170-F183 HydrophobicContact CG-CD1 4.17Å; F170-F183 HydrophobicContact CZ-CB 4.37Å; F170-F183 AromaticContact CZ-CD1 3.29Å; F170-F183 HydrophobicContact CZ-CD1 3.29Å; F170-F183 AromaticContact CZ-CE1 3.55Å; F170-F183 HydrophobicContact CZ-CE1 3.55Å; F170-F183 AromaticContact CZ-CG 3.9Å; F170-F183 HydrophobicContact CZ-CG 3.9Å; F170-F183 HydrophobicContact CZ-CZ 4.32Å; F170-S187 WeakPolarHBondContact CB-OG 3.31Å; F170-V189 PolarHBondContact N-O 2.97Å; F170-F190 AromaticContact CD1-CD2 3.67Å; F170-F190 HydrophobicContact CD1-CD2 3.67Å; F170-F190 AromaticContact CD1-CE2 3.46Å; F170-F190 HydrophobicContact CD1-CE2 3.46Å; F170-F190 VanDerWaalsContact CD1-CE2 3.46Å; F170-F190 HydrophobicContact CD1-CZ 4.32Å; F170-F190 HydrophobicContact CE1-CD2 4.34Å; F170-F190 AromaticContact CE1-CE2 3.66Å; F170-F190 HydrophobicContact CE1-CE2 3.66Å; F170-F190 HydrophobicContact CE1-CZ 4.25Å; F170-F190 WeakPolarHBondContact O-CA 3.12Å; F170-C191 PolarHBondContact O-N 3.02Å
171N98.8Very high96.2Very high6 Ų654.5 Ų54.53%0.03228%0.279CS..  trans-108.9106.3171.7168.6-139.7000109.1Q48 C145 Q146 A173 C191 I266Q48-N171 PolarHBondContact NE2-OD1 3.13Å; C145-N171 PolarHBondContact O-N 3.15Å; Q146-N171 WeakPolarHBondContact CA-O 3.31Å; Q146-N171 HydrophobicContact CG-CB 4.22Å; N171-A173 WeakPolarHBondContact ND2-CB 3.44Å; N171-A173 PolarHBondContact O-N 3.5Å; N171-A173 WeakPolarHBondContact OD1-CB 3.47Å; N171-C191 VanDerWaalsContact CA-O 3.3Å; N171-C191 WeakPolarHBondContact CA-O 3.38Å; N171-C191 PolarHBondContact ND2-O 2.98Å; N171-I266 HydrophobicContact CB-CD1 3.56Å; N171-I266 WeakPolarHBondContact OD1-CD1 3.46Å
172P98.1Very high96.1Very high0 Ų055.2 Ų55.20%029%0.287CS..  trans-76.156.3-176.338.2-42.7000111.3L147 F170 P174 A175 L179 F190 C191 C192 L200L147-P172 HydrophobicContact CD1-CB 4.12Å; F170-P172 HydrophobicContact CD1-CB 4.41Å; F170-P172 HydrophobicContact CE1-CB 3.64Å; F170-P172 HydrophobicContact CZ-CB 3.91Å; P172-P174 CarbonylContact O-C 3.55Å; P172-P174 VanDerWaalsContact O-C 3.3Å; P172-A175 WeakPolarHBondContact O-CA 3.34Å; P172-A175 WeakPolarHBondContact O-CB 3.47Å; P172-A175 PolarHBondContact O-N 2.74Å; P172-L179 HydrophobicContact CB-CD2 4.29Å; P172-F190 HydrophobicContact CB-CE1 4.3Å; P172-F190 HydrophobicContact CB-CE2 4.43Å; P172-F190 HydrophobicContact CB-CZ 3.76Å; P172-F190 HydrophobicContact CG-CD1 4.41Å; P172-F190 HydrophobicContact CG-CE1 3.52Å; P172-F190 HydrophobicContact CG-CE2 4.41Å; P172-F190 HydrophobicContact CG-CZ 3.51Å; P172-C191 WeakPolarHBondContact CD-O 3.44Å; P172-C192 HydrophobicContact CG-CB 3.56Å; P172-L200 HydrophobicContact CB-CD1 3.96Å; P172-L200 HydrophobicContact CG-CD1 3.7Å
173A95.4Very high96.2Very high0 Ų051.4 Ų51.40%027%0.269CS..  trans-121.5130.4-173.400000111.3K44 L147 N171 E196K44-A173 HydrophobicContact CD-CB 3.7Å; K44-A173 WeakPolarHBondContact CD-O 3.41Å; L147-A173 PolarHBondContact N-O 3.36Å; N171-A173 WeakPolarHBondContact ND2-CB 3.44Å; N171-A173 PolarHBondContact O-N 3.5Å; N171-A173 WeakPolarHBondContact OD1-CB 3.47Å; A173-E196 WeakPolarHBondContact CB-OE1 3.36Å
174P93.2Very high96.2Very high70 Ų7046 Ų4646%0.45524%0.24SC..SBendcis-64.1144.5-1229.3-34.8000111.5L147 P172L147-P174 WeakPolarHBondContact CD1-O 3.22Å; P172-P174 CarbonylContact O-C 3.55Å; P172-P174 VanDerWaalsContact O-C 3.3Å
175A91.5Very high96.2Very high18 Ų1850.7 Ų50.715%0.14925%0.252CS..  trans-68.2148.1-178.400000111.6P172 E196 L199 L200P172-A175 WeakPolarHBondContact O-CA 3.34Å; P172-A175 WeakPolarHBondContact O-CB 3.47Å; P172-A175 PolarHBondContact O-N 2.74Å; A175-E196 HydrophobicContact CB-CB 3.83Å; A175-E196 HydrophobicContact CB-CG 3.87Å; A175-L199 VanDerWaalsContact C-CD2 3.48Å; A175-L199 HydrophobicContact CB-CB 4.24Å; A175-L199 HydrophobicContact CB-CD2 3.62Å; A175-L199 HydrophobicContact CB-CG 4.48Å; A175-L199 WeakPolarHBondContact O-CD2 3.33Å; A175-L200 HydrophobicContact CB-CG 4.23Å
176I93.1Very high96.3Very high64 Ų6441.9 Ų41.933%0.32822%0.215SC..  trans-123.6137173.261.5179000108.7L147 D178 L179 L200L147-I176 HydrophobicContact CD1-CD1 4.43Å; L147-I176 HydrophobicContact CD1-CG1 4.16Å; I176-D178 PolarHBondContact O-N 3.29Å; I176-L179 HydrophobicContact CD1-CD1 3.97Å; I176-L179 HydrophobicContact CG1-CB 4.08Å; I176-L179 HydrophobicContact CG1-CD1 3.96Å; I176-L200 WeakPolarHBondContact O-CD2 3.48Å
177P85.5Confident96.3Very high80 Ų8041.7 Ų41.752%0.51921%0.214SC..THydrogen-bonded Turntrans-60.6-44.2-176.4-24.833.8000113.2L179 L199P177-L179 VanDerWaalsContact C-N 3.31Å; P177-L179 PolarHBondContact O-N 3.48Å; P177-L199 HydrophobicContact CG-CD1 4.04Å; P177-L199 HydrophobicContact CG-CD2 4.27Å; P177-L199 HydrophobicContact CG-CG 4.11Å
178D91.1Very high96.3Very high156 Ų15640.8 Ų40.883%0.83421%0.214SC*.THydrogen-bonded Turntrans-94.851.7-176.4-60.2-43.9000111.7I176 D180I176-D178 PolarHBondContact O-N 3.29Å; D178-D180 PolarHBondContact O-N 2.76Å
179L97.2Very high96.3Very high7 Ų741.1 Ų41.14%0.03722%0.216CC..  trans-66.1127.1178.1-176.268.1000110.8L147 F170 P172 I176 P177 F181 F183 Y184 F190 L200L147-L179 HydrophobicContact CD1-CD1 3.93Å; L147-L179 HydrophobicContact CD2-CD1 4.36Å; F170-L179 HydrophobicContact CE1-CD2 3.93Å; F170-L179 HydrophobicContact CZ-CD1 4.34Å; P172-L179 HydrophobicContact CB-CD2 4.29Å; I176-L179 HydrophobicContact CD1-CD1 3.97Å; I176-L179 HydrophobicContact CG1-CB 4.08Å; I176-L179 HydrophobicContact CG1-CD1 3.96Å; P177-L179 VanDerWaalsContact C-N 3.31Å; P177-L179 PolarHBondContact O-N 3.48Å; L179-F181 PolarHBondContact O-N 3.19Å; L179-F183 HydrophobicContact CD1-CB 4.39Å; L179-F183 HydrophobicContact CD1-CD2 3.37Å; L179-F183 HydrophobicContact CD1-CE2 3.66Å; L179-F183 HydrophobicContact CD1-CG 3.93Å; L179-F183 HydrophobicContact CD1-CZ 4.4Å; L179-F183 HydrophobicContact CD2-CB 4.13Å; L179-F183 HydrophobicContact CG-CB 4.21Å; L179-F183 HydrophobicContact CG-CD2 3.88Å; L179-F183 HydrophobicContact CG-CG 4.27Å; L179-Y184 HydrophobicContact CD2-CE1 3.95Å; L179-F190 HydrophobicContact CD2-CE2 4.16Å; L179-F190 HydrophobicContact CD2-CZ 4.11Å; L179-L200 HydrophobicContact CB-CD2 3.87Å; L179-L200 HydrophobicContact CD2-CD2 3.86Å; L179-L200 HydrophobicContact CG-CD2 4.5Å
180D97.4Very high96.3Very high92 Ų9241.1 Ų41.149%0.49222%0.216SC..  trans-54.3130.5178.3-170.9-47.3000111.3L155 D178 G182 F183L155-D180 HydrophobicContact CD2-CB 4.31Å; D178-D180 PolarHBondContact O-N 2.76Å; D180-G182 PolarHBondContact O-N 2.85Å; D180-G182 PolarHBondContact OD1-N 3.36Å; D180-F183 HydrophobicContact CB-CD2 3.96Å; D180-F183 HydrophobicContact CB-CE2 4.23Å; D180-F183 WeakPolarHBondContact O-CB 3.48Å; D180-F183 WeakPolarHBondContact O-CD2 3.35Å; D180-F183 PolarHBondContact O-N 2.88Å
181F96.1Very high96.3Very high113 Ų11341.2 Ų41.250%0.49622%0.216SC..Hα-helixtrans-59.1-22.8-178.7-88.2-88.7000114L179 F183 Y184 R221L179-F181 PolarHBondContact O-N 3.19Å; F181-F183 PolarHBondContact O-N 3.49Å; F181-Y184 HydrophobicContact CB-CD2 4.44Å; F181-Y184 AromaticContact CD1-CD2 3.93Å; F181-Y184 HydrophobicContact CD1-CD2 3.93Å; F181-Y184 HydrophobicContact CD1-CE2 4.15Å; F181-Y184 HydrophobicContact CG-CD2 4.34Å; F181-Y184 HydrophobicContact CG-CE2 4.39Å; F181-Y184 PolarHBondContact O-N 3.38Å; F181-R221 HydrophobicContact CD1-CB 4.46Å; F181-R221 HydrophobicContact CE1-CB 4.12Å; F181-R221 HydrophobicContact CE1-CG 4.02Å
182G97.9Very high96.2Very high15 Ų1541 Ų4116%0.15522%0.215CC..Hα-helixtrans-53.8-38.8173.100000112.3D180 Y184 R185 V186D180-G182 PolarHBondContact O-N 2.85Å; D180-G182 PolarHBondContact OD1-N 3.36Å; G182-Y184 PolarHBondContact O-N 2.97Å; G182-R185 PolarHBondContact O-N 2.94Å; G182-V186 VanDerWaalsContact O-CG2 3.32Å; G182-V186 WeakPolarHBondContact O-CG2 3.48Å; G182-V186 PolarHBondContact O-N 3.42Å; G182-V186 VanDerWaalsContact O-N 3.16Å
183F98.6Very high96.2Very high2 Ų243.2 Ų43.21%0.00923%0.227CC..Hα-helixtrans-59.6-47.1-178.9-79.4-78.6000112.7L147 S151 L155 L158 F170 L179 D180 F181 R185 V186 S187L147-F183 HydrophobicContact CD2-CE1 4.27Å; L147-F183 HydrophobicContact CD2-CZ 3.9Å; S151-F183 VanDerWaalsContact O-CZ 3.22Å; S151-F183 WeakPolarHBondContact O-CZ 3.42Å; L155-F183 HydrophobicContact CB-CD2 4.48Å; L155-F183 HydrophobicContact CB-CE1 3.95Å; L155-F183 HydrophobicContact CB-CE2 3.91Å; L155-F183 HydrophobicContact CB-CZ 3.64Å; L155-F183 HydrophobicContact CD1-CD1 4.26Å; L155-F183 HydrophobicContact CD1-CD2 4.23Å; L155-F183 HydrophobicContact CD1-CE2 4.49Å; L155-F183 HydrophobicContact CD1-CG 4.13Å; L155-F183 HydrophobicContact CD2-CE2 4.49Å; L158-F183 HydrophobicContact CD1-CD1 3.56Å; L158-F183 HydrophobicContact CD1-CE1 3.82Å; F170-F183 HydrophobicContact CD1-CB 4.14Å; F170-F183 AromaticContact CD1-CD1 3.94Å; F170-F183 HydrophobicContact CD1-CD1 3.94Å; F170-F183 HydrophobicContact CD1-CG 4.42Å; F170-F183 AromaticContact CD2-CD1 3.99Å; F170-F183 HydrophobicContact CD2-CD1 3.99Å; F170-F183 HydrophobicContact CD2-CE1 4.21Å; F170-F183 HydrophobicContact CE1-CB 3.78Å; F170-F183 AromaticContact CE1-CD1 3.5Å; F170-F183 HydrophobicContact CE1-CD1 3.5Å; F170-F183 HydrophobicContact CE1-CE1 4.24Å; F170-F183 AromaticContact CE1-CG 3.82Å; F170-F183 HydrophobicContact CE1-CG 3.82Å; F170-F183 AromaticContact CE2-CD1 3.56Å; F170-F183 HydrophobicContact CE2-CD1 3.56Å; F170-F183 AromaticContact CE2-CE1 3.54Å; F170-F183 HydrophobicContact CE2-CE1 3.54Å; F170-F183 HydrophobicContact CG-CD1 4.17Å; F170-F183 HydrophobicContact CZ-CB 4.37Å; F170-F183 AromaticContact CZ-CD1 3.29Å; F170-F183 HydrophobicContact CZ-CD1 3.29Å; F170-F183 AromaticContact CZ-CE1 3.55Å; F170-F183 HydrophobicContact CZ-CE1 3.55Å; F170-F183 AromaticContact CZ-CG 3.9Å; F170-F183 HydrophobicContact CZ-CG 3.9Å; F170-F183 HydrophobicContact CZ-CZ 4.32Å; L179-F183 HydrophobicContact CD1-CB 4.39Å; L179-F183 HydrophobicContact CD1-CD2 3.37Å; L179-F183 HydrophobicContact CD1-CE2 3.66Å; L179-F183 HydrophobicContact CD1-CG 3.93Å; L179-F183 HydrophobicContact CD1-CZ 4.4Å; L179-F183 HydrophobicContact CD2-CB 4.13Å; L179-F183 HydrophobicContact CG-CB 4.21Å; L179-F183 HydrophobicContact CG-CD2 3.88Å; L179-F183 HydrophobicContact CG-CG 4.27Å; D180-F183 HydrophobicContact CB-CD2 3.96Å; D180-F183 HydrophobicContact CB-CE2 4.23Å; D180-F183 WeakPolarHBondContact O-CB 3.48Å; D180-F183 WeakPolarHBondContact O-CD2 3.35Å; D180-F183 PolarHBondContact O-N 2.88Å; F181-F183 PolarHBondContact O-N 3.49Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 PolarHBondContact O-N 3.12Å; F183-V186 PolarHBondContact O-N 2.88Å; F183-S187 WeakPolarHBondContact O-CB 3.41Å; F183-S187 PolarHBondContact O-N 3.46Å; F183-S187 PolarHBondContact O-OG 3.49Å
184Y98.3Very high96.4Very high2 Ų245.9 Ų45.91%0.00824%0.24CC..Hα-helixtrans-59.8-44.9179.9-50.2-71.6000110.7L179 F181 G182 V186 S187 F190 L218 R221 G222 C223L179-Y184 HydrophobicContact CD2-CE1 3.95Å; F181-Y184 HydrophobicContact CB-CD2 4.44Å; F181-Y184 AromaticContact CD1-CD2 3.93Å; F181-Y184 HydrophobicContact CD1-CD2 3.93Å; F181-Y184 HydrophobicContact CD1-CE2 4.15Å; F181-Y184 HydrophobicContact CG-CD2 4.34Å; F181-Y184 HydrophobicContact CG-CE2 4.39Å; F181-Y184 PolarHBondContact O-N 3.38Å; G182-Y184 PolarHBondContact O-N 2.97Å; Y184-V186 PolarHBondContact O-N 3.46Å; Y184-S187 PolarHBondContact O-N 2.99Å; Y184-F190 HydrophobicContact CD1-CD2 4.11Å; Y184-F190 AromaticContact CD1-CE2 3.56Å; Y184-F190 HydrophobicContact CD1-CE2 3.56Å; Y184-F190 AromaticContact CD1-CZ 3.99Å; Y184-F190 HydrophobicContact CD1-CZ 3.99Å; Y184-F190 AromaticContact CE1-CE2 3.8Å; Y184-F190 HydrophobicContact CE1-CE2 3.8Å; Y184-F190 AromaticContact CE1-CZ 3.78Å; Y184-F190 HydrophobicContact CE1-CZ 3.78Å; Y184-L218 HydrophobicContact CD1-CD2 4.45Å; Y184-L218 HydrophobicContact CE1-CD2 3.9Å; Y184-R221 HydrophobicContact CD1-CB 4.22Å; Y184-R221 HydrophobicContact CD2-CB 3.89Å; Y184-R221 HydrophobicContact CE2-CB 4.29Å; Y184-R221 HydrophobicContact CG-CB 3.88Å; Y184-R221 PolarHBondContact OH-NH1 3.3Å; Y184-G222 CarbonylContact O-C 3.48Å; Y184-C223 WeakPolarHBondContact O-CA 3.36Å
185R97.5Very high96.5Very high171 Ų17146 Ų4665%0.64524%0.242SC*.Hα-helixtrans-67.7-31.8-175.2-66.3178.4178.91770.3114.3G182 F183G182-R185 PolarHBondContact O-N 2.94Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 PolarHBondContact O-N 3.12Å
186V98.3Very high96.8Very high14 Ų1446 Ų469%0.08524%0.239CC..THydrogen-bonded Turntrans-96.710.4-178.7-56.80000112.8L155 L158 Q159 H162 T168 G182 F183 Y184L155-V186 HydrophobicContact CD1-CG2 4.17Å; L158-V186 HydrophobicContact CB-CB 4.33Å; L158-V186 HydrophobicContact CB-CG2 3.46Å; L158-V186 VanDerWaalsContact CB-CG2 3.46Å; L158-V186 HydrophobicContact CD1-CG2 4.21Å; L158-V186 HydrophobicContact CG-CG2 4.41Å; Q159-V186 HydrophobicContact CG-CG1 4Å; H162-V186 HydrophobicContact CB-CB 4.14Å; H162-V186 HydrophobicContact CB-CG1 4.36Å; T168-V186 WeakPolarHBondContact CB-O 3.07Å; T168-V186 PolarHBondContact OG1-O 3.08Å; G182-V186 VanDerWaalsContact O-CG2 3.32Å; G182-V186 WeakPolarHBondContact O-CG2 3.48Å; G182-V186 PolarHBondContact O-N 3.42Å; G182-V186 VanDerWaalsContact O-N 3.16Å; F183-V186 PolarHBondContact O-N 2.88Å; Y184-V186 PolarHBondContact O-N 3.46Å
187S98.4Very high97Very high0 Ų042.9 Ų42.90%022%0.223CC..  trans-103.4109.2-180-62.80000111T168 F170 F183 Y184 V189 T224T168-S187 WeakPolarHBondContact OG1-CA 3.34Å; F170-S187 WeakPolarHBondContact CB-OG 3.31Å; F183-S187 WeakPolarHBondContact O-CB 3.41Å; F183-S187 PolarHBondContact O-N 3.46Å; F183-S187 PolarHBondContact O-OG 3.49Å; Y184-S187 PolarHBondContact O-N 2.99Å; S187-V189 VanDerWaalsContact C-N 3.32Å; S187-T224 PolarHBondContact O-N 2.89Å
188D98.3Very high97.6Very high47 Ų4742.1 Ų42.125%0.25121%0.213SC..SBendtrans-67.4-39.6169.5-65.8-49.4000110.6R167 T168 A225R167-D188 WeakPolarHBondContact CA-OD2 3.37Å; T168-D188 PolarHBondContact N-OD2 3.47Å; T168-D188 WeakPolarHBondContact O-CB 3.12Å; T168-D188 PolarHBondContact O-N 2.86Å; T168-D188 PolarHBondContact OG1-N 3.45Å; T168-D188 PolarHBondContact OG1-OD2 3.11Å; D188-A225 WeakPolarHBondContact O-CB 3.48Å; D188-A225 PolarHBondContact O-N 3.16Å; D188-A225 VanDerWaalsContact O-N 3.1Å
189V98.8Very high97.9Very high7 Ų738.6 Ų38.64%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-129.3115.8170.3-173.50000110.1T168 I169 F170 S187 I227 L269 L273 L281T168-V189 PolarHBondContact O-N 3.08Å; I169-V189 WeakPolarHBondContact CA-O 3.46Å; I169-V189 HydrophobicContact CG1-CB 4.3Å; F170-V189 PolarHBondContact N-O 2.97Å; S187-V189 VanDerWaalsContact C-N 3.32Å; V189-I227 HydrophobicContact CG1-CD1 3.87Å; V189-I227 HydrophobicContact CG1-CG1 4.06Å; V189-L269 HydrophobicContact CG1-CD2 4.02Å; V189-L273 HydrophobicContact CG2-CD1 4.12Å; V189-L281 HydrophobicContact CG2-CD1 4.21Å
190F98.9Very high97.9Very high0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-98.9112.3173.5-167.9-79.9000109.1F170 P172 L179 Y184 C192 L200 L218 C223 A225 V226 I227F170-F190 AromaticContact CD1-CD2 3.67Å; F170-F190 HydrophobicContact CD1-CD2 3.67Å; F170-F190 AromaticContact CD1-CE2 3.46Å; F170-F190 HydrophobicContact CD1-CE2 3.46Å; F170-F190 VanDerWaalsContact CD1-CE2 3.46Å; F170-F190 HydrophobicContact CD1-CZ 4.32Å; F170-F190 HydrophobicContact CE1-CD2 4.34Å; F170-F190 AromaticContact CE1-CE2 3.66Å; F170-F190 HydrophobicContact CE1-CE2 3.66Å; F170-F190 HydrophobicContact CE1-CZ 4.25Å; F170-F190 WeakPolarHBondContact O-CA 3.12Å; P172-F190 HydrophobicContact CB-CE1 4.3Å; P172-F190 HydrophobicContact CB-CE2 4.43Å; P172-F190 HydrophobicContact CB-CZ 3.76Å; P172-F190 HydrophobicContact CG-CD1 4.41Å; P172-F190 HydrophobicContact CG-CE1 3.52Å; P172-F190 HydrophobicContact CG-CE2 4.41Å; P172-F190 HydrophobicContact CG-CZ 3.51Å; L179-F190 HydrophobicContact CD2-CE2 4.16Å; L179-F190 HydrophobicContact CD2-CZ 4.11Å; Y184-F190 HydrophobicContact CD1-CD2 4.11Å; Y184-F190 AromaticContact CD1-CE2 3.56Å; Y184-F190 HydrophobicContact CD1-CE2 3.56Å; Y184-F190 AromaticContact CD1-CZ 3.99Å; Y184-F190 HydrophobicContact CD1-CZ 3.99Å; Y184-F190 AromaticContact CE1-CE2 3.8Å; Y184-F190 HydrophobicContact CE1-CE2 3.8Å; Y184-F190 AromaticContact CE1-CZ 3.78Å; Y184-F190 HydrophobicContact CE1-CZ 3.78Å; F190-C192 HydrophobicContact CE1-CB 4.48Å; F190-L200 HydrophobicContact CE1-CD1 3.93Å; F190-L200 HydrophobicContact CZ-CD1 3.84Å; F190-L218 HydrophobicContact CD1-CD1 4.22Å; F190-L218 HydrophobicContact CE1-CD1 4.06Å; F190-L218 HydrophobicContact CE1-CD2 4.04Å; F190-L218 HydrophobicContact CZ-CD2 4.38Å; F190-C223 HydrophobicContact CB-CB 4.13Å; F190-C223 VanDerWaalsContact CB-SG 3.51Å; F190-C223 VanDerWaalsContact CD2-SG 3.53Å; F190-C223 VanDerWaalsContact CG-SG 3.56Å; F190-A225 PolarHBondContact N-O 2.71Å; F190-V226 HydrophobicContact CB-CG2 4.45Å; F190-V226 CarbonylContact O-C 3.57Å; F190-V226 WeakPolarHBondContact O-CA 3.47Å; F190-I227 PolarHBondContact O-N 2.56Å
191C98.9Very high97.9Very high1 Ų135 Ų351%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-122.6113.8-171-172.20000111.8F170 N171 P172 I227 I266F170-C191 PolarHBondContact O-N 3.02Å; N171-C191 VanDerWaalsContact CA-O 3.3Å; N171-C191 WeakPolarHBondContact CA-O 3.38Å; N171-C191 PolarHBondContact ND2-O 2.98Å; P172-C191 WeakPolarHBondContact CD-O 3.44Å; C191-I227 VanDerWaalsContact CA-O 3.31Å; C191-I227 WeakPolarHBondContact CA-O 3.39Å; C191-I227 HydrophobicContact CB-CB 4.32Å; C191-I266 HydrophobicContact CB-CG1 4.47Å
192C98.4Very high97.9Very high1 Ų132.9 Ų32.91%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-135.1168.5179.568.40000111.7P172 F190 E196 I227 I228 T229P172-C192 HydrophobicContact CG-CB 3.56Å; F190-C192 HydrophobicContact CE1-CB 4.48Å; C192-E196 VanDerWaalsContact CA-OE2 3.3Å; C192-E196 WeakPolarHBondContact CA-OE2 3.2Å; C192-E196 HydrophobicContact CB-CB 3.82Å; C192-E196 WeakPolarHBondContact CB-OE2 3.3Å; C192-I227 PolarHBondContact N-O 2.9Å; C192-I228 CarbonylContact O-C 3.54Å; C192-I228 VanDerWaalsContact O-CA 3.28Å; C192-I228 WeakPolarHBondContact O-CA 3.45Å; C192-T229 PolarHBondContact O-N 2.86Å; C192-T229 PolarHBondContact O-OG1 2.8Å
193N98.4Very high97.7Very high48 Ų4837.8 Ų37.826%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-90.4-178.4170.771.438.7000112.4S195 E196 A197 T229N193-S195 PolarHBondContact OD1-N 2.87Å; N193-S195 PolarHBondContact OD1-OG 3.1Å; N193-E196 VanDerWaalsContact CG-CD 3.44Å; N193-E196 PolarHBondContact N-OE2 3.27Å; N193-E196 PolarHBondContact ND2-OE1 2.84Å; N193-E196 VanDerWaalsContact ND2-OE1 3.11Å; N193-E196 PolarHBondContact O-N 3.28Å; N193-E196 WeakPolarHBondContact OD1-CB 3.26Å; N193-E196 VanDerWaalsContact OD1-CG 3.31Å; N193-E196 WeakPolarHBondContact OD1-CG 3.35Å; N193-E196 PolarHBondContact OD1-N 3.4Å; N193-A197 WeakPolarHBondContact O-CB 3.46Å; N193-A197 PolarHBondContact O-N 3.03Å; N193-T229 WeakPolarHBondContact CA-OG1 3.46Å
194E98.1Very high97.6Very high55 Ų5541.4 Ų41.426%0.25723%0.225SC..Hα-helixtrans-53.8-61.5177.1-65.5160.6115.400111.7E196 A197 E198 V205 T229 L230E194-E196 VanDerWaalsContact C-N 3.27Å; E194-E196 PolarHBondContact O-N 3.16Å; E194-A197 WeakPolarHBondContact O-CA 3.32Å; E194-A197 WeakPolarHBondContact O-CB 3.5Å; E194-A197 PolarHBondContact O-N 3.5Å; E194-E198 WeakPolarHBondContact O-CG 3.24Å; E194-E198 PolarHBondContact O-N 2.8Å; E194-V205 HydrophobicContact CB-CB 4.27Å; E194-V205 HydrophobicContact CB-CG1 4.11Å; E194-V205 HydrophobicContact CG-CG1 3.91Å; E194-T229 PolarHBondContact N-O 3.48Å; E194-L230 HydrophobicContact CG-CD2 3.47Å; E194-L230 VanDerWaalsContact CG-CD2 3.47Å
195S95.7Very high97.6Very high72 Ų7241.5 Ų41.550%0.50323%0.226SC..Hα-helixtrans-59.9-33.6-177.665.50000114.1N193 L199N193-S195 PolarHBondContact OD1-N 2.87Å; N193-S195 PolarHBondContact OD1-OG 3.1Å; S195-L199 WeakPolarHBondContact O-CB 3.34Å; S195-L199 PolarHBondContact O-N 2.83Å
196E97.8Very high97.5Very high18 Ų1838.6 Ų38.68%0.08422%0.223CC..Hα-helixtrans-71-42.4176-69.7162.9-178.300110.7A173 A175 C192 N193 E194 E198 L199 L200A173-E196 WeakPolarHBondContact CB-OE1 3.36Å; A175-E196 HydrophobicContact CB-CB 3.83Å; A175-E196 HydrophobicContact CB-CG 3.87Å; C192-E196 VanDerWaalsContact CA-OE2 3.3Å; C192-E196 WeakPolarHBondContact CA-OE2 3.2Å; C192-E196 HydrophobicContact CB-CB 3.82Å; C192-E196 WeakPolarHBondContact CB-OE2 3.3Å; N193-E196 VanDerWaalsContact CG-CD 3.44Å; N193-E196 PolarHBondContact N-OE2 3.27Å; N193-E196 PolarHBondContact ND2-OE1 2.84Å; N193-E196 VanDerWaalsContact ND2-OE1 3.11Å; N193-E196 PolarHBondContact O-N 3.28Å; N193-E196 WeakPolarHBondContact OD1-CB 3.26Å; N193-E196 VanDerWaalsContact OD1-CG 3.31Å; N193-E196 WeakPolarHBondContact OD1-CG 3.35Å; N193-E196 PolarHBondContact OD1-N 3.4Å; E194-E196 VanDerWaalsContact C-N 3.27Å; E194-E196 PolarHBondContact O-N 3.16Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-L199 PolarHBondContact O-N 3.38Å; E196-L200 WeakPolarHBondContact O-CB 3.4Å; E196-L200 WeakPolarHBondContact O-CD1 3.37Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.33Å
197A98.1Very high97.4Very high0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-63.1-41.1174.100000111.4N193 E194 L200 T201 V205 A214 I228N193-A197 WeakPolarHBondContact O-CB 3.46Å; N193-A197 PolarHBondContact O-N 3.03Å; E194-A197 WeakPolarHBondContact O-CA 3.32Å; E194-A197 WeakPolarHBondContact O-CB 3.5Å; E194-A197 PolarHBondContact O-N 3.5Å; A197-L200 PolarHBondContact O-N 2.86Å; A197-T201 VanDerWaalsContact O-CB 3.3Å; A197-T201 WeakPolarHBondContact O-CB 3.31Å; A197-T201 VanDerWaalsContact O-CG2 3.26Å; A197-T201 WeakPolarHBondContact O-CG2 3.33Å; A197-T201 PolarHBondContact O-N 3.2Å; A197-T201 PolarHBondContact O-OG1 3.33Å; A197-V205 HydrophobicContact CB-CG2 4.15Å; A197-A214 HydrophobicContact CB-CB 4.25Å; A197-I228 HydrophobicContact CB-CD1 3.85Å; A197-I228 HydrophobicContact CB-CG1 4.44Å; A197-I228 HydrophobicContact CB-CG2 4.29Å
198E97.8Very high97.3Very high64 Ų6443 Ų4330%0.29925%0.247SC..Hα-helixtrans-59.2-49.1175-66.1-172.6137.900111.3E194 E196 L200 T201 G202 Y203 S204 V205E194-E198 WeakPolarHBondContact O-CG 3.24Å; E194-E198 PolarHBondContact O-N 2.8Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 2.92Å; E198-T201 PolarHBondContact O-N 2.83Å; E198-G202 WeakPolarHBondContact O-CA 3.43Å; E198-G202 PolarHBondContact O-N 2.52Å; E198-Y203 VanDerWaalsContact CA-O 3.24Å; E198-Y203 WeakPolarHBondContact CA-O 3.25Å; E198-Y203 WeakPolarHBondContact CG-O 3.47Å; E198-S204 VanDerWaalsContact OE1-CA 3.24Å; E198-S204 WeakPolarHBondContact OE1-CA 3.47Å; E198-V205 HydrophobicContact CG-CB 3.8Å; E198-V205 HydrophobicContact CG-CG2 3.75Å; E198-V205 PolarHBondContact OE1-N 2.75Å
199L97.2Very high97.2Very high82 Ų8245.9 Ų45.943%0.42926%0.259SS..Hα-helixtrans-62.7-41.3-178.8-168.672.9000112.3A175 P177 S195 E196A175-L199 VanDerWaalsContact C-CD2 3.48Å; A175-L199 HydrophobicContact CB-CB 4.24Å; A175-L199 HydrophobicContact CB-CD2 3.62Å; A175-L199 HydrophobicContact CB-CG 4.48Å; A175-L199 WeakPolarHBondContact O-CD2 3.33Å; P177-L199 HydrophobicContact CG-CD1 4.04Å; P177-L199 HydrophobicContact CG-CD2 4.27Å; P177-L199 HydrophobicContact CG-CG 4.11Å; S195-L199 WeakPolarHBondContact O-CB 3.34Å; S195-L199 PolarHBondContact O-N 2.83Å; E196-L199 PolarHBondContact O-N 3.38Å
200L97.6Very high97.1Very high6 Ų647.5 Ų47.53%0.03127%0.268CS..Hα-helixtrans-73-39.4-178.3-70.3166.3000111.8P172 A175 I176 L179 F190 E196 A197 E198 L218 R221P172-L200 HydrophobicContact CB-CD1 3.96Å; P172-L200 HydrophobicContact CG-CD1 3.7Å; A175-L200 HydrophobicContact CB-CG 4.23Å; I176-L200 WeakPolarHBondContact O-CD2 3.48Å; L179-L200 HydrophobicContact CB-CD2 3.87Å; L179-L200 HydrophobicContact CD2-CD2 3.86Å; L179-L200 HydrophobicContact CG-CD2 4.5Å; F190-L200 HydrophobicContact CE1-CD1 3.93Å; F190-L200 HydrophobicContact CZ-CD1 3.84Å; E196-L200 WeakPolarHBondContact O-CB 3.4Å; E196-L200 WeakPolarHBondContact O-CD1 3.37Å; E196-L200 WeakPolarHBondContact O-CG 3.37Å; E196-L200 PolarHBondContact O-N 3.33Å; A197-L200 PolarHBondContact O-N 2.86Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 2.92Å; L200-L218 HydrophobicContact CB-CD2 4.25Å; L200-L218 HydrophobicContact CD1-CD2 4.46Å; L200-R221 PolarHBondContact O-NH1 2.82Å; L200-R221 PolarHBondContact O-NH2 3.16Å
201T96.6Very high97.1Very high16 Ų1647.5 Ų47.510%0.09827%0.268CS..Hα-helixtrans-100.1-24.8-168.669.30000113.8A197 E198 Y203 A214 E217 L218A197-T201 VanDerWaalsContact O-CB 3.3Å; A197-T201 WeakPolarHBondContact O-CB 3.31Å; A197-T201 VanDerWaalsContact O-CG2 3.26Å; A197-T201 WeakPolarHBondContact O-CG2 3.33Å; A197-T201 PolarHBondContact O-N 3.2Å; A197-T201 PolarHBondContact O-OG1 3.33Å; E198-T201 PolarHBondContact O-N 2.83Å; T201-Y203 PolarHBondContact O-N 3.31Å; T201-Y203 PolarHBondContact OG1-N 3.08Å; T201-A214 HydrophobicContact CG2-CB 4.23Å; T201-E217 HydrophobicContact CG2-CB 4.33Å; T201-E217 HydrophobicContact CG2-CG 4.23Å; T201-L218 HydrophobicContact CG2-CD1 4.27Å; T201-L218 HydrophobicContact CG2-CD2 3.79Å; T201-L218 HydrophobicContact CG2-CG 3.67Å
202G95.8Very high97Very high69 Ų6948.3 Ų48.371%0.71127%0.271SS*.SBendtrans78.1-0.7-171.800000114.5E198E198-G202 WeakPolarHBondContact O-CA 3.43Å; E198-G202 PolarHBondContact O-N 2.52Å
203Y94.8Very high96.9Very high118 Ų11851.9 Ų51.946%0.46329%0.288SS..  trans-87.5139172.4-66.7-79000109.9E198 T201 E217E198-Y203 VanDerWaalsContact CA-O 3.24Å; E198-Y203 WeakPolarHBondContact CA-O 3.25Å; E198-Y203 WeakPolarHBondContact CG-O 3.47Å; T201-Y203 PolarHBondContact O-N 3.31Å; T201-Y203 PolarHBondContact OG1-N 3.08Å; Y203-E217 HydrophobicContact CD2-CB 4.46Å; Y203-E217 HydrophobicContact CE2-CB 4.01Å; Y203-E217 HydrophobicContact CE2-CG 4.19Å
204S96.9Very high96.9Very high78 Ų7849.6 Ų49.655%0.54528%0.276SS..  trans-66.8146.9167.1-59.60000110.5E198 D210E198-S204 VanDerWaalsContact OE1-CA 3.24Å; E198-S204 WeakPolarHBondContact OE1-CA 3.47Å; S204-D210 WeakPolarHBondContact O-CB 3.43Å
205V97.6Very high96.9Very high4 Ų447 Ų472%0.02426%0.264CS..  trans-130.887.2-178.8-173.50000109.3E194 A197 E198 A211 A214 L230E194-V205 HydrophobicContact CB-CB 4.27Å; E194-V205 HydrophobicContact CB-CG1 4.11Å; E194-V205 HydrophobicContact CG-CG1 3.91Å; A197-V205 HydrophobicContact CB-CG2 4.15Å; E198-V205 HydrophobicContact CG-CB 3.8Å; E198-V205 HydrophobicContact CG-CG2 3.75Å; E198-V205 PolarHBondContact OE1-N 2.75Å; V205-A211 HydrophobicContact CG1-CB 3.79Å; V205-A214 HydrophobicContact CG2-CB 3.77Å; V205-L230 HydrophobicContact CG1-CD2 4.37Å
206N95.1Very high97Very high111 Ų11147 Ų4759%0.59426%0.256SS*.SBendtrans-111.1-11.5-178.3-55.7-79.3000113.5D210N206-D210 WeakPolarHBondContact CB-OD2 3.42Å; N206-D210 PolarHBondContact N-OD2 3.31Å; N206-D210 PolarHBondContact ND2-OD2 3.18Å
207N95.8Very high97Very high64 Ų6447.4 Ų47.434%0.34226%0.258SS..SBendtrans-154.3176.9-176.167.568.5000111E209 D210 A211N207-E209 VanDerWaalsContact C-N 3.34Å; N207-E209 PolarHBondContact O-N 2.85Å; N207-E209 WeakPolarHBondContact OD1-CA 3.49Å; N207-E209 WeakPolarHBondContact OD1-CB 3.5Å; N207-E209 PolarHBondContact OD1-N 2.86Å; N207-D210 PolarHBondContact ND2-OD1 3.33Å; N207-D210 PolarHBondContact ND2-OD2 3.48Å; N207-D210 PolarHBondContact O-N 2.9Å; N207-D210 PolarHBondContact OD1-N 2.81Å; N207-D210 PolarHBondContact OD1-OD1 3.07Å; N207-A211 PolarHBondContact O-N 2.96Å
208V96.6Very high97Very high41 Ų4147.4 Ų47.425%0.24826%0.258CS..Hα-helixtrans-60.9-38.3-177.9174.10000113.2A211 H212 L230 V236 H247V208-A211 PolarHBondContact O-N 3.46Å; V208-H212 PolarHBondContact O-N 3.5Å; V208-L230 HydrophobicContact CG2-CD1 4.01Å; V208-V236 HydrophobicContact CG1-CG2 3.92Å; V208-H247 HydrophobicContact CG1-CB 3.7Å
209E96.3Very high96.9Very high108 Ų10845.7 Ų45.751%0.50525%0.25SS..Hα-helixtrans-71.5-41.7179.1-176.257.5-141.800110.8N207 A211 H212 Q213N207-E209 VanDerWaalsContact C-N 3.34Å; N207-E209 PolarHBondContact O-N 2.85Å; N207-E209 WeakPolarHBondContact OD1-CA 3.49Å; N207-E209 WeakPolarHBondContact OD1-CB 3.5Å; N207-E209 PolarHBondContact OD1-N 2.86Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 3.4Å; E209-H212 WeakPolarHBondContact O-CA 2.99Å; E209-H212 VanDerWaalsContact O-CB 3.27Å; E209-H212 WeakPolarHBondContact O-CB 3.42Å; E209-H212 PolarHBondContact O-N 2.91Å; E209-H212 VanDerWaalsContact O-N 3.08Å; E209-H212 IonicContact OE1-CD2 2.74Å; E209-Q213 WeakPolarHBondContact O-CG 3.49Å; E209-Q213 PolarHBondContact O-N 2.87Å; E209-Q213 VanDerWaalsContact O-N 3.11Å; E209-Q213 PolarHBondContact OE1-NE2 2.92Å
210D97.6Very high96.9Very high41 Ų4150.5 Ų50.522%0.21926%0.263CS..Hα-helixtrans-59.4-42.9174.1-62.9-3.5000111.1S204 N206 N207 H212 Q213 A214S204-D210 WeakPolarHBondContact O-CB 3.43Å; N206-D210 WeakPolarHBondContact CB-OD2 3.42Å; N206-D210 PolarHBondContact N-OD2 3.31Å; N206-D210 PolarHBondContact ND2-OD2 3.18Å; N207-D210 PolarHBondContact ND2-OD1 3.33Å; N207-D210 PolarHBondContact ND2-OD2 3.48Å; N207-D210 PolarHBondContact O-N 2.9Å; N207-D210 PolarHBondContact OD1-N 2.81Å; N207-D210 PolarHBondContact OD1-OD1 3.07Å; D210-H212 VanDerWaalsContact C-N 3.29Å; D210-H212 PolarHBondContact O-N 3.28Å; D210-Q213 PolarHBondContact O-N 2.93Å; D210-A214 PolarHBondContact O-N 3.36Å
211A97.9Very high96.8Very high0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-63.3-35.3175.400000112V205 N207 V208 E209 A214 A215 I228 L230 V236V205-A211 HydrophobicContact CG1-CB 3.79Å; N207-A211 PolarHBondContact O-N 2.96Å; V208-A211 PolarHBondContact O-N 3.46Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 3.4Å; A211-A214 PolarHBondContact O-N 3.06Å; A211-A215 VanDerWaalsContact O-CB 3.27Å; A211-A215 WeakPolarHBondContact O-CB 3.15Å; A211-A215 PolarHBondContact O-N 3.21Å; A211-I228 HydrophobicContact CB-CB 4.49Å; A211-I228 HydrophobicContact CB-CD1 4.5Å; A211-I228 HydrophobicContact CB-CG2 4.32Å; A211-I228 WeakPolarHBondContact O-CD1 3.45Å; A211-L230 HydrophobicContact CB-CD1 4.38Å; A211-L230 HydrophobicContact CB-CD2 3.85Å; A211-V236 HydrophobicContact CB-CB 4.3Å; A211-V236 HydrophobicContact CB-CG2 4.03Å
212H96.8Very high96.8Very high18 Ų1853 Ų538%0.08328%0.28CS..Hα-helixtrans-59.2-47.4172.5176.157000111.6V208 E209 D210 A215 Q216 S245V208-H212 PolarHBondContact O-N 3.5Å; E209-H212 WeakPolarHBondContact O-CA 2.99Å; E209-H212 VanDerWaalsContact O-CB 3.27Å; E209-H212 WeakPolarHBondContact O-CB 3.42Å; E209-H212 PolarHBondContact O-N 2.91Å; E209-H212 VanDerWaalsContact O-N 3.08Å; E209-H212 IonicContact OE1-CD2 2.74Å; D210-H212 VanDerWaalsContact C-N 3.29Å; D210-H212 PolarHBondContact O-N 3.28Å; H212-A215 PolarHBondContact O-N 3.33Å; H212-Q216 PolarHBondContact CE1-NE2 3.16Å; H212-Q216 PolarHBondContact NE2-NE2 2.94Å; H212-Q216 WeakPolarHBondContact O-CG 3.15Å; H212-Q216 PolarHBondContact O-N 3.28Å; H212-S245 WeakPolarHBondContact CB-OG 3.42Å; H212-S245 PolarHBondContact CE1-N 2.84Å; H212-S245 VanDerWaalsContact ND1-CB 3.31Å; H212-S245 WeakPolarHBondContact ND1-CB 3.47Å; H212-S245 PolarHBondContact ND1-N 3.1Å; H212-S245 PolarHBondContact ND1-OG 3.42Å
213Q97.3Very high96.8Very high76 Ų7650 Ų5036%0.35525%0.248SC..Hα-helixtrans-63.3-44.9179.4-59.6-57-47.200111.9E209 D210 A215 Q216 E217E209-Q213 WeakPolarHBondContact O-CG 3.49Å; E209-Q213 PolarHBondContact O-N 2.87Å; E209-Q213 VanDerWaalsContact O-N 3.11Å; E209-Q213 PolarHBondContact OE1-NE2 2.92Å; D210-Q213 PolarHBondContact O-N 2.93Å; Q213-A215 VanDerWaalsContact C-N 3.33Å; Q213-A215 PolarHBondContact O-N 3.3Å; Q213-Q216 PolarHBondContact O-N 3.09Å; Q213-E217 PolarHBondContact O-N 3.16Å; Q213-E217 VanDerWaalsContact O-N 3.15Å
214A97.9Very high97Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-61.9-41.2175.700000111.8A197 T201 V205 D210 A211 Q216 E217 L218 I228A197-A214 HydrophobicContact CB-CB 4.25Å; T201-A214 HydrophobicContact CG2-CB 4.23Å; V205-A214 HydrophobicContact CG2-CB 3.77Å; D210-A214 PolarHBondContact O-N 3.36Å; A211-A214 PolarHBondContact O-N 3.06Å; A214-Q216 PolarHBondContact O-N 3.39Å; A214-E217 PolarHBondContact O-N 3.12Å; A214-L218 WeakPolarHBondContact O-CG 3.2Å; A214-L218 PolarHBondContact O-N 3.49Å; A214-I228 HydrophobicContact CB-CD1 3.84Å
215A98.1Very high97Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-64.6-38177.100000112.5A211 H212 Q213 L218 L219 V226 I228 L238A211-A215 VanDerWaalsContact O-CB 3.27Å; A211-A215 WeakPolarHBondContact O-CB 3.15Å; A211-A215 PolarHBondContact O-N 3.21Å; H212-A215 PolarHBondContact O-N 3.33Å; Q213-A215 VanDerWaalsContact C-N 3.33Å; Q213-A215 PolarHBondContact O-N 3.3Å; A215-L218 PolarHBondContact O-N 2.87Å; A215-L219 PolarHBondContact O-N 2.77Å; A215-V226 HydrophobicContact CB-CB 4.28Å; A215-V226 HydrophobicContact CB-CG1 3.89Å; A215-I228 HydrophobicContact CB-CD1 3.94Å; A215-I228 HydrophobicContact CB-CG1 4.45Å; A215-L238 HydrophobicContact CB-CB 4.1Å; A215-L238 HydrophobicContact CB-CD2 3.91Å
216Q97.7Very high97.1Very high72 Ų7243.8 Ų43.834%0.33622%0.219SC..Hα-helixtrans-61.7-42.6174.4-76.6-176.8-31.200112H212 Q213 A214 L219 R220 L238H212-Q216 PolarHBondContact CE1-NE2 3.16Å; H212-Q216 PolarHBondContact NE2-NE2 2.94Å; H212-Q216 WeakPolarHBondContact O-CG 3.15Å; H212-Q216 PolarHBondContact O-N 3.28Å; Q213-Q216 PolarHBondContact O-N 3.09Å; A214-Q216 PolarHBondContact O-N 3.39Å; Q216-L219 PolarHBondContact O-N 3.37Å; Q216-R220 WeakPolarHBondContact O-CB 3.41Å; Q216-R220 PolarHBondContact O-N 3.12Å; Q216-L238 HydrophobicContact CB-CD2 4.4Å; Q216-L238 HydrophobicContact CG-CD2 3.72Å
217E97.1Very high97.3Very high28 Ų2838.5 Ų38.513%0.13119%0.191CC..Hα-helixtrans-64.8-42.7176.5175.254.5-159.900111.6T201 Y203 Q213 A214 L219 R220 R221T201-E217 HydrophobicContact CG2-CB 4.33Å; T201-E217 HydrophobicContact CG2-CG 4.23Å; Y203-E217 HydrophobicContact CD2-CB 4.46Å; Y203-E217 HydrophobicContact CE2-CB 4.01Å; Y203-E217 HydrophobicContact CE2-CG 4.19Å; Q213-E217 PolarHBondContact O-N 3.16Å; Q213-E217 VanDerWaalsContact O-N 3.15Å; A214-E217 PolarHBondContact O-N 3.12Å; E217-L219 PolarHBondContact O-N 3.27Å; E217-R220 WeakPolarHBondContact O-CB 3.24Å; E217-R220 PolarHBondContact O-N 3.24Å; E217-R220 VanDerWaalsContact O-N 3.16Å; E217-R220 IonicContact OE1-CZ 3.33Å; E217-R220 IonicContact OE1-NE 3.75Å; E217-R220 IonicContact OE1-NH2 3.68Å; E217-R220 PolarHBondContact OE1-NH2 3.4Å; E217-R220 IonicContact OE2-CZ 3.09Å; E217-R220 IonicContact OE2-NE 2.85Å; E217-R220 PolarHBondContact OE2-NE 3.42Å; E217-R220 IonicContact OE2-NH2 3.66Å; E217-R220 PolarHBondContact OE2-NH2 3Å; E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 2.84Å; E217-R221 VanDerWaalsContact O-N 3.1Å; E217-R221 IonicContact OE1-CZ 3.45Å; E217-R221 IonicContact OE1-NE 3.34Å; E217-R221 PolarHBondContact OE1-NE 3.4Å; E217-R221 IonicContact OE1-NH2 2.69Å; E217-R221 PolarHBondContact OE1-NH2 3.45Å
218L97.5Very high97.4Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-62.3-40.2176.3-68.7172.1000112.2Y184 F190 L200 T201 A214 A215 R221 G222 C223 V226 I228Y184-L218 HydrophobicContact CD1-CD2 4.45Å; Y184-L218 HydrophobicContact CE1-CD2 3.9Å; F190-L218 HydrophobicContact CD1-CD1 4.22Å; F190-L218 HydrophobicContact CE1-CD1 4.06Å; F190-L218 HydrophobicContact CE1-CD2 4.04Å; F190-L218 HydrophobicContact CZ-CD2 4.38Å; L200-L218 HydrophobicContact CB-CD2 4.25Å; L200-L218 HydrophobicContact CD1-CD2 4.46Å; T201-L218 HydrophobicContact CG2-CD1 4.27Å; T201-L218 HydrophobicContact CG2-CD2 3.79Å; T201-L218 HydrophobicContact CG2-CG 3.67Å; A214-L218 WeakPolarHBondContact O-CG 3.2Å; A214-L218 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 2.87Å; L218-R221 PolarHBondContact O-N 3.18Å; L218-G222 PolarHBondContact O-N 2.91Å; L218-C223 PolarHBondContact O-SG 3.47Å; L218-V226 HydrophobicContact CB-CG1 4.23Å; L218-V226 HydrophobicContact CB-CG2 3.7Å; L218-V226 HydrophobicContact CD1-CG1 3.81Å; L218-I228 HydrophobicContact CD1-CD1 4.47Å
219L96.9Very high97.5Very high27 Ų2734.6 Ų34.614%0.14117%0.17CC..Hα-helixtrans-62.4-43.5171.4-78.5-171.6000112.2A215 Q216 E217 R221 G222 C223 V226 L238 A240A215-L219 PolarHBondContact O-N 2.77Å; Q216-L219 PolarHBondContact O-N 3.37Å; E217-L219 PolarHBondContact O-N 3.27Å; L219-R221 PolarHBondContact O-N 3.26Å; L219-R221 VanDerWaalsContact O-N 3.16Å; L219-G222 WeakPolarHBondContact O-CA 3.34Å; L219-G222 PolarHBondContact O-N 3.33Å; L219-C223 HydrophobicContact CD2-CB 4.1Å; L219-C223 WeakPolarHBondContact CD2-O 3.26Å; L219-V226 HydrophobicContact CD2-CG2 3.8Å; L219-V226 HydrophobicContact CG-CG2 3.92Å; L219-L238 HydrophobicContact CD1-CB 4.31Å; L219-L238 HydrophobicContact CD1-CD1 4.48Å; L219-L238 HydrophobicContact CD1-CD2 3.51Å; L219-L238 HydrophobicContact CD1-CG 3.45Å; L219-L238 VanDerWaalsContact CD1-CG 3.45Å; L219-L238 HydrophobicContact CG-CD2 4.22Å; L219-L238 HydrophobicContact CG-CG 4.4Å; L219-A240 HydrophobicContact CD2-CB 4.39Å
220R96Very high97.6Very high183 Ų18329.5 Ų29.569%0.69115%0.146SC*.Hα-helixtrans-59.8-27.2178.2-163.5-168.866.579.56.1112.2Q216 E217 G222Q216-R220 WeakPolarHBondContact O-CB 3.41Å; Q216-R220 PolarHBondContact O-N 3.12Å; E217-R220 WeakPolarHBondContact O-CB 3.24Å; E217-R220 PolarHBondContact O-N 3.24Å; E217-R220 VanDerWaalsContact O-N 3.16Å; E217-R220 IonicContact OE1-CZ 3.33Å; E217-R220 IonicContact OE1-NE 3.75Å; E217-R220 IonicContact OE1-NH2 3.68Å; E217-R220 PolarHBondContact OE1-NH2 3.4Å; E217-R220 IonicContact OE2-CZ 3.09Å; E217-R220 IonicContact OE2-NE 2.85Å; E217-R220 PolarHBondContact OE2-NE 3.42Å; E217-R220 IonicContact OE2-NH2 3.66Å; E217-R220 PolarHBondContact OE2-NH2 3Å; R220-G222 VanDerWaalsContact C-N 3.33Å
221R96.4Very high97.4Very high44 Ų4429.9 Ų29.917%0.16616%0.16CC..THydrogen-bonded Turntrans-78.1-13.9175.1-65.9176-174.8-165.35.6114F181 Y184 L200 E217 L218 L219F181-R221 HydrophobicContact CD1-CB 4.46Å; F181-R221 HydrophobicContact CE1-CB 4.12Å; F181-R221 HydrophobicContact CE1-CG 4.02Å; Y184-R221 HydrophobicContact CD1-CB 4.22Å; Y184-R221 HydrophobicContact CD2-CB 3.89Å; Y184-R221 HydrophobicContact CE2-CB 4.29Å; Y184-R221 HydrophobicContact CG-CB 3.88Å; Y184-R221 PolarHBondContact OH-NH1 3.3Å; L200-R221 PolarHBondContact O-NH1 2.82Å; L200-R221 PolarHBondContact O-NH2 3.16Å; E217-R221 WeakPolarHBondContact O-CG 3.42Å; E217-R221 PolarHBondContact O-N 2.84Å; E217-R221 VanDerWaalsContact O-N 3.1Å; E217-R221 IonicContact OE1-CZ 3.45Å; E217-R221 IonicContact OE1-NE 3.34Å; E217-R221 PolarHBondContact OE1-NE 3.4Å; E217-R221 IonicContact OE1-NH2 2.69Å; E217-R221 PolarHBondContact OE1-NH2 3.45Å; L218-R221 PolarHBondContact O-N 3.18Å; L219-R221 PolarHBondContact O-N 3.26Å; L219-R221 VanDerWaalsContact O-N 3.16Å
222G96.2Very high97.2Very high32 Ų3235.8 Ų35.833%0.3320%0.198SC..THydrogen-bonded Turntrans126.78.316800000116.2Y184 L218 L219 R220Y184-G222 CarbonylContact O-C 3.48Å; L218-G222 PolarHBondContact O-N 2.91Å; L219-G222 WeakPolarHBondContact O-CA 3.34Å; L219-G222 PolarHBondContact O-N 3.33Å; R220-G222 VanDerWaalsContact C-N 3.33Å
223C97.1Very high97.1Very high4 Ų439 Ų393%0.02721%0.213CC..  trans-65.8145174.4-62.40000111.5Y184 F190 L218 L219 V226Y184-C223 WeakPolarHBondContact O-CA 3.36Å; F190-C223 HydrophobicContact CB-CB 4.13Å; F190-C223 VanDerWaalsContact CB-SG 3.51Å; F190-C223 VanDerWaalsContact CD2-SG 3.53Å; F190-C223 VanDerWaalsContact CG-SG 3.56Å; L218-C223 PolarHBondContact O-SG 3.47Å; L219-C223 HydrophobicContact CD2-CB 4.1Å; L219-C223 WeakPolarHBondContact CD2-O 3.26Å; C223-V226 HydrophobicContact CB-CG2 3.7Å
224T97.4Very high97.2Very high65 Ų6535.4 Ų35.440%0.39920%0.197SC..SBendtrans-78.2-42.7172.7-58.80000111.3S187 A240S187-T224 PolarHBondContact O-N 2.89Å; T224-A240 WeakPolarHBondContact O-CB 3.27Å; T224-A240 PolarHBondContact O-N 2.87Å
225A98.4Very high97.2Very high5 Ų535.4 Ų35.44%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-142.2147.6171.500000110.5D188 F190 L238 K239 L281D188-A225 WeakPolarHBondContact O-CB 3.48Å; D188-A225 PolarHBondContact O-N 3.16Å; D188-A225 VanDerWaalsContact O-N 3.1Å; F190-A225 PolarHBondContact N-O 2.71Å; A225-L238 CarbonylContact C-O 3.55Å; A225-L238 WeakPolarHBondContact CA-O 3.24Å; A225-K239 HydrophobicContact CB-CG 4Å; A225-L281 HydrophobicContact CB-CD2 3.58Å
226V98.8Very high97.2Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-122.7134178.2178.40000109F190 A215 L218 L219 C223 I228 V237 L238F190-V226 HydrophobicContact CB-CG2 4.45Å; F190-V226 CarbonylContact O-C 3.57Å; F190-V226 WeakPolarHBondContact O-CA 3.47Å; A215-V226 HydrophobicContact CB-CB 4.28Å; A215-V226 HydrophobicContact CB-CG1 3.89Å; L218-V226 HydrophobicContact CB-CG1 4.23Å; L218-V226 HydrophobicContact CB-CG2 3.7Å; L218-V226 HydrophobicContact CD1-CG1 3.81Å; L219-V226 HydrophobicContact CD2-CG2 3.8Å; L219-V226 HydrophobicContact CG-CG2 3.92Å; C223-V226 HydrophobicContact CB-CG2 3.7Å; V226-I228 HydrophobicContact CG1-CD1 4.48Å; V226-I228 HydrophobicContact CG1-CG1 3.97Å; V226-V237 WeakPolarHBondContact O-CA 3.19Å; V226-L238 PolarHBondContact N-O 2.85Å; V226-L238 PolarHBondContact O-N 3.39Å
227I98.9Very high97.3Very high0 Ų032 Ų320%018%0.181CC..EExtended strand (participates in β ladder)trans-120.5124.7168.2-58-177.2000108V189 F190 C191 C192 C235 V236 V237 F265 L269 L281 A285V189-I227 HydrophobicContact CG1-CD1 3.87Å; V189-I227 HydrophobicContact CG1-CG1 4.06Å; F190-I227 PolarHBondContact O-N 2.56Å; C191-I227 VanDerWaalsContact CA-O 3.31Å; C191-I227 WeakPolarHBondContact CA-O 3.39Å; C191-I227 HydrophobicContact CB-CB 4.32Å; C192-I227 PolarHBondContact N-O 2.9Å; I227-C235 HydrophobicContact CG2-CB 3.96Å; I227-V236 CarbonylContact C-O 3.34Å; I227-V236 VanDerWaalsContact CA-O 3.29Å; I227-V236 WeakPolarHBondContact CA-O 3.49Å; I227-V237 HydrophobicContact CD1-CG2 4.46Å; I227-V237 HydrophobicContact CG1-CG1 4.34Å; I227-V237 HydrophobicContact CG1-CG2 4.17Å; I227-F265 HydrophobicContact CG2-CE1 4Å; I227-F265 HydrophobicContact CG2-CZ 3.96Å; I227-L269 HydrophobicContact CD1-CD1 4.3Å; I227-L269 HydrophobicContact CD1-CD2 3.78Å; I227-L281 HydrophobicContact CD1-CD1 4.14Å; I227-L281 HydrophobicContact CD1-CD2 4.43Å; I227-L281 HydrophobicContact CD1-CG 4.26Å; I227-A285 HydrophobicContact CD1-CB 4.37Å
228I98.8Very high97.3Very high0 Ų030.8 Ų30.80%018%0.175CC..EExtended strand (participates in β ladder)trans-110.7114170.7-56.9-177.2000108.2C192 A197 A211 A214 A215 L218 V226 L230 C235 V236C192-I228 CarbonylContact O-C 3.54Å; C192-I228 VanDerWaalsContact O-CA 3.28Å; C192-I228 WeakPolarHBondContact O-CA 3.45Å; A197-I228 HydrophobicContact CB-CD1 3.85Å; A197-I228 HydrophobicContact CB-CG1 4.44Å; A197-I228 HydrophobicContact CB-CG2 4.29Å; A211-I228 HydrophobicContact CB-CB 4.49Å; A211-I228 HydrophobicContact CB-CD1 4.5Å; A211-I228 HydrophobicContact CB-CG2 4.32Å; A211-I228 WeakPolarHBondContact O-CD1 3.45Å; A214-I228 HydrophobicContact CB-CD1 3.84Å; A215-I228 HydrophobicContact CB-CD1 3.94Å; A215-I228 HydrophobicContact CB-CG1 4.45Å; L218-I228 HydrophobicContact CD1-CD1 4.47Å; V226-I228 HydrophobicContact CG1-CD1 4.48Å; V226-I228 HydrophobicContact CG1-CG1 3.97Å; I228-L230 HydrophobicContact CG2-CD2 3.91Å; I228-C235 CarbonylContact O-C 3.55Å; I228-C235 WeakPolarHBondContact O-CA 3.41Å; I228-C235 VanDerWaalsContact O-CB 3.32Å; I228-C235 WeakPolarHBondContact O-CB 3.49Å; I228-V236 PolarHBondContact N-O 3.36Å; I228-V236 PolarHBondContact O-N 2.89Å
229T98.6Very high97.3Very high23 Ų2332.7 Ų32.714%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-80.3134.717661.60000110.4C192 N193 E194 C235 F265C192-T229 PolarHBondContact O-N 2.86Å; C192-T229 PolarHBondContact O-OG1 2.8Å; N193-T229 WeakPolarHBondContact CA-OG1 3.46Å; E194-T229 PolarHBondContact N-O 3.48Å; T229-C235 HydrophobicContact CG2-CB 4.43Å; T229-F265 HydrophobicContact CG2-CD1 3.95Å; T229-F265 HydrophobicContact CG2-CE1 3.99Å; T229-F265 HydrophobicContact CG2-CG 4.27Å; T229-F265 HydrophobicContact CG2-CZ 4.33Å
230L97.4Very high97.1Very high1 Ų134.5 Ų34.51%0.00520%0.202CC..  trans-118.933-172.8-52.8-179.4000111.8E194 V205 V208 A211 I228 P232 Q233 G234 V236E194-L230 HydrophobicContact CG-CD2 3.47Å; E194-L230 VanDerWaalsContact CG-CD2 3.47Å; V205-L230 HydrophobicContact CG1-CD2 4.37Å; V208-L230 HydrophobicContact CG2-CD1 4.01Å; A211-L230 HydrophobicContact CB-CD1 4.38Å; A211-L230 HydrophobicContact CB-CD2 3.85Å; I228-L230 HydrophobicContact CG2-CD2 3.91Å; L230-P232 WeakPolarHBondContact O-CD 3.2Å; L230-Q233 HydrophobicContact CB-CB 3.84Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 3.3Å; L230-G234 WeakPolarHBondContact CA-O 3.42Å; L230-G234 PolarHBondContact N-O 3.04Å; L230-V236 HydrophobicContact CD1-CG2 3.86Å
231G93.4Very high96.9Very high50 Ų5032.1 Ų32.152%0.51520%0.199SC..G310 helixtrans50-120.8-175.800000113Q233 G234G231-Q233 PolarHBondContact O-N 2.91Å; G231-Q233 VanDerWaalsContact O-N 3.16Å; G231-G234 PolarHBondContact O-N 3.28Å; G231-G234 VanDerWaalsContact O-N 3.09Å
232P93.7Very high96.7Very high123 Ų12332.9 Ų32.980%0.79921%0.206SC*.G310 helixtrans-65.3-16.6-178.429.1-35.3000113.8L230 G234L230-P232 WeakPolarHBondContact O-CD 3.2Å; P232-G234 PolarHBondContact O-N 3.15Å
233Q95.9Very high96.1Very high85 Ų8540.3 Ų40.340%0.39723%0.23SC..G310 helixtrans-80.9-1.9176-58.8-172.965.100113L230 G231 H247L230-Q233 HydrophobicContact CB-CB 3.84Å; L230-Q233 WeakPolarHBondContact O-CB 3.41Å; L230-Q233 PolarHBondContact O-N 3.3Å; G231-Q233 PolarHBondContact O-N 2.91Å; G231-Q233 VanDerWaalsContact O-N 3.16Å; Q233-H247 PolarHBondContact O-NE2 2.92Å
234G97.9Very high95.8Very high1 Ų144.9 Ų44.91%0.0126%0.257CS..  trans86.7-128-178.200000111.8L230 G231 P232 V248L230-G234 WeakPolarHBondContact CA-O 3.42Å; L230-G234 PolarHBondContact N-O 3.04Å; G231-G234 PolarHBondContact O-N 3.28Å; G231-G234 VanDerWaalsContact O-N 3.09Å; P232-G234 PolarHBondContact O-N 3.15Å; G234-V248 WeakPolarHBondContact CA-O 3.27Å
235C98.6Very high95.6Very high0 Ų042.9 Ų42.90%025%0.246CC..EExtended strand (participates in β ladder)trans-150.5161.3-179.464.10000112.8I227 I228 T229 H247 V248 F265I227-C235 HydrophobicContact CG2-CB 3.96Å; I228-C235 CarbonylContact O-C 3.55Å; I228-C235 WeakPolarHBondContact O-CA 3.41Å; I228-C235 VanDerWaalsContact O-CB 3.32Å; I228-C235 WeakPolarHBondContact O-CB 3.49Å; T229-C235 HydrophobicContact CG2-CB 4.43Å; C235-H247 PolarHBondContact O-CD2 2.89Å; C235-V248 PolarHBondContact N-O 2.82Å; C235-V248 PolarHBondContact O-N 2.86Å; C235-F265 HydrophobicContact CB-CZ 4.49Å
236V98.5Very high95.6Very high0 Ų045.5 Ų45.50%026%0.262CS..EExtended strand (participates in β ladder)trans-105.9133.8168.7171.10000108.9V208 A211 I227 I228 L230 S245 T246V208-V236 HydrophobicContact CG1-CG2 3.92Å; A211-V236 HydrophobicContact CB-CB 4.3Å; A211-V236 HydrophobicContact CB-CG2 4.03Å; I227-V236 CarbonylContact C-O 3.34Å; I227-V236 VanDerWaalsContact CA-O 3.29Å; I227-V236 WeakPolarHBondContact CA-O 3.49Å; I228-V236 PolarHBondContact N-O 3.36Å; I228-V236 PolarHBondContact O-N 2.89Å; L230-V236 HydrophobicContact CD1-CG2 3.86Å; V236-S245 WeakPolarHBondContact CG1-OG 3.32Å; V236-T246 WeakPolarHBondContact CA-O 3.29Å
237V98.7Very high95.6Very high1 Ų149 Ų491%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-117.5130178-176.40000109.1V226 I227 S245 T246 V248 L281 E282 A285V226-V237 WeakPolarHBondContact O-CA 3.19Å; I227-V237 HydrophobicContact CD1-CG2 4.46Å; I227-V237 HydrophobicContact CG1-CG1 4.34Å; I227-V237 HydrophobicContact CG1-CG2 4.17Å; V237-S245 CarbonylContact O-C 3.3Å; V237-S245 VanDerWaalsContact O-CA 3.31Å; V237-S245 WeakPolarHBondContact O-CA 3.35Å; V237-S245 WeakPolarHBondContact O-CB 3.31Å; V237-T246 PolarHBondContact N-O 3.49Å; V237-T246 PolarHBondContact O-N 2.89Å; V237-V248 HydrophobicContact CG2-CG2 4.07Å; V237-L281 HydrophobicContact CG1-CB 4.37Å; V237-L281 HydrophobicContact CG1-CD2 3.71Å; V237-L281 HydrophobicContact CG1-CG 3.89Å; V237-E282 HydrophobicContact CB-CG 4.3Å; V237-E282 HydrophobicContact CG1-CG 4.29Å; V237-A285 HydrophobicContact CG2-CB 3.8Å
238L98.4Very high95.6Very high3 Ų349.4 Ų49.42%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-138.7125175.6-17466.2000110.2A215 Q216 L219 A225 V226 D242 T244A215-L238 HydrophobicContact CB-CB 4.1Å; A215-L238 HydrophobicContact CB-CD2 3.91Å; Q216-L238 HydrophobicContact CB-CD2 4.4Å; Q216-L238 HydrophobicContact CG-CD2 3.72Å; L219-L238 HydrophobicContact CD1-CB 4.31Å; L219-L238 HydrophobicContact CD1-CD1 4.48Å; L219-L238 HydrophobicContact CD1-CD2 3.51Å; L219-L238 HydrophobicContact CD1-CG 3.45Å; L219-L238 VanDerWaalsContact CD1-CG 3.45Å; L219-L238 HydrophobicContact CG-CD2 4.22Å; L219-L238 HydrophobicContact CG-CG 4.4Å; A225-L238 CarbonylContact C-O 3.55Å; A225-L238 WeakPolarHBondContact CA-O 3.24Å; V226-L238 PolarHBondContact N-O 2.85Å; V226-L238 PolarHBondContact O-N 3.39Å; L238-D242 HydrophobicContact CD1-CB 4.48Å; L238-T244 VanDerWaalsContact CD1-C 3.4Å; L238-T244 WeakPolarHBondContact CD1-O 3.32Å
239K97.7Very high95.5Very high39 Ų3953.4 Ų53.417%0.1731%0.307CS..EExtended strand (participates in β ladder)trans-106.3151.8177.4-59170.1-60-152.10109.8A225 Q241 D242 L281 E282A225-K239 HydrophobicContact CB-CG 4Å; K239-Q241 HydrophobicContact CB-CG 4.42Å; K239-Q241 PolarHBondContact O-N 2.8Å; K239-Q241 VanDerWaalsContact O-N 3.12Å; K239-D242 WeakPolarHBondContact CE-OD2 3.14Å; K239-D242 IonicContact NZ-OD2 2.94Å; K239-D242 PolarHBondContact O-N 3.29Å; K239-L281 HydrophobicContact CD-CB 4.27Å; K239-L281 HydrophobicContact CD-CD2 4.34Å; K239-L281 HydrophobicContact CG-CD2 4.11Å; K239-E282 VanDerWaalsContact CE-OE1 3.23Å; K239-E282 WeakPolarHBondContact CE-OE1 3.08Å; K239-E282 VanDerWaalsContact NZ-CD 3.32Å; K239-E282 IonicContact NZ-OE1 3.17Å; K239-E282 PolarHBondContact NZ-OE1 2.8Å; K239-E282 IonicContact NZ-OE2 2.89Å; K239-E282 PolarHBondContact NZ-OE2 3.47Å; K239-E282 VanDerWaalsContact NZ-OE2 3.11Å
240A92.8Very high95.3Very high65 Ų6553.8 Ų53.854%0.53731%0.31SS..THydrogen-bonded Turntrans-57.1-29.1-17700000114.3L219 T224 D242L219-A240 HydrophobicContact CD2-CB 4.39Å; T224-A240 WeakPolarHBondContact O-CB 3.27Å; T224-A240 PolarHBondContact O-N 2.87Å; A240-D242 VanDerWaalsContact C-N 3.33Å
241Q90.7Very high94.9Very high134 Ų13457.7 Ų57.763%0.62633%0.334SS*.THydrogen-bonded Turntrans-77.5-14.6176.764.4-91.22700114.5K239K239-Q241 HydrophobicContact CB-CG 4.42Å; K239-Q241 PolarHBondContact O-N 2.8Å; K239-Q241 VanDerWaalsContact O-N 3.12Å
242D92.3Very high94.8Very high59 Ų5960.1 Ų60.132%0.31635%0.35SS..  trans-99.9144.9-174.4-60.1-33.4000111L238 K239 A240L238-D242 HydrophobicContact CD1-CB 4.48Å; K239-D242 WeakPolarHBondContact CE-OD2 3.14Å; K239-D242 IonicContact NZ-OD2 2.94Å; K239-D242 PolarHBondContact O-N 3.29Å; A240-D242 VanDerWaalsContact C-N 3.33Å
243K84.4Confident94.7Very high189 Ų18957 Ų5782%0.82233%0.328SS*.SBendtrans-84.8-28.4177.7-66.6-174.3179-178.70113.1
244T90.1Very high94.5Very high99 Ų9961.2 Ų61.261%0.60735%0.345SS*.SBendtrans-129.2143.6-172.353.40000109.1L238L238-T244 VanDerWaalsContact CD1-C 3.4Å; L238-T244 WeakPolarHBondContact CD1-O 3.32Å
245S94.6Very high94.1Very high24 Ų2463 Ų6317%0.16836%0.36CS..PPolyproline II helixtrans-80.7155.4178.260.10000111.4H212 V236 V237H212-S245 WeakPolarHBondContact CB-OG 3.42Å; H212-S245 PolarHBondContact CE1-N 2.84Å; H212-S245 VanDerWaalsContact ND1-CB 3.31Å; H212-S245 WeakPolarHBondContact ND1-CB 3.47Å; H212-S245 PolarHBondContact ND1-N 3.1Å; H212-S245 PolarHBondContact ND1-OG 3.42Å; V236-S245 WeakPolarHBondContact CG1-OG 3.32Å; V237-S245 CarbonylContact O-C 3.3Å; V237-S245 VanDerWaalsContact O-CA 3.31Å; V237-S245 WeakPolarHBondContact O-CA 3.35Å; V237-S245 WeakPolarHBondContact O-CB 3.31Å
246T98.1Very high93.5Very high60 Ų6065 Ų6537%0.36837%0.372SS..EExtended strand (participates in β ladder)trans-99.7122.7171.3-57.90000109.4V236 V237 V248 E282V236-T246 WeakPolarHBondContact CA-O 3.29Å; V237-T246 PolarHBondContact N-O 3.49Å; V237-T246 PolarHBondContact O-N 2.89Å; T246-V248 HydrophobicContact CG2-CG2 4.22Å; T246-E282 HydrophobicContact CG2-CG 4.01Å
247H98.6Very high92.8Very high72 Ų7266.4 Ų66.433%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-80.3123.7167.1179.2-138.9000109.8V208 Q233 C235V208-H247 HydrophobicContact CG1-CB 3.7Å; Q233-H247 PolarHBondContact O-NE2 2.92Å; C235-H247 PolarHBondContact O-CD2 2.89Å
248V98.4Very high92.2Very high9 Ų971 Ų716%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-111.399.7178.4-176.90000107.7G234 C235 V237 T246 E282 R286 N289G234-V248 WeakPolarHBondContact CA-O 3.27Å; C235-V248 PolarHBondContact N-O 2.82Å; C235-V248 PolarHBondContact O-N 2.86Å; V237-V248 HydrophobicContact CG2-CG2 4.07Å; T246-V248 HydrophobicContact CG2-CG2 4.22Å; V248-E282 HydrophobicContact CG2-CB 4.27Å; V248-R286 HydrophobicContact CG1-CB 3.58Å; V248-R286 HydrophobicContact CG1-CG 3.96Å; V248-N289 PolarHBondContact O-ND2 3.22Å
249P97.3Very high91.6Very high85 Ų8574.3 Ų74.355%0.55243%0.428SS*.PPolyproline II helixtrans-68.7151.6-176.728.1-34.7000111.7
250S93.3Very high91.3Very high30 Ų3073.2 Ų73.221%0.2143%0.427CS..PPolyproline II helixtrans-90.3160.9168.9-164.80000111.3
251T88.6Confident91.4Very high84 Ų8471.2 Ų71.252%0.51541%0.411SS..PPolyproline II helixtrans-80.8130.3171.3-56.40000109V253T251-V253 PolarHBondContact O-N 2.87Å
252A91.9Very high91.7Very high101 Ų10166.5 Ų66.584%0.83540%0.399SS*.PPolyproline II helixtrans-64.1123.7175.500000110.2
253V93.1Very high92Very high57 Ų5764.3 Ų64.335%0.34539%0.387SS..  trans-130.7159177.4-64.20000109.5T251 A255 A293 V296 Q297T251-V253 PolarHBondContact O-N 2.87Å; V253-A255 PolarHBondContact O-N 2.92Å; V253-A293 HydrophobicContact CG1-CB 4.22Å; V253-A293 HydrophobicContact CG2-CB 4.3Å; V253-V296 HydrophobicContact CG2-CG2 3.66Å; V253-Q297 HydrophobicContact CB-CG 4.16Å; V253-Q297 HydrophobicContact CG2-CG 4.3Å
254K91.6Very high92.7Very high174 Ų17455.3 Ų55.376%0.75735%0.348SS*.  trans-82.6104.1171.1-174.9-179.8178.7-176.40108.8
255A88.5Confident93.1Very high38 Ų3850.8 Ų50.831%0.31432%0.319SS..  trans-66.914017800000111.9V253 T258 V296V253-A255 PolarHBondContact O-N 2.92Å; A255-T258 HydrophobicContact CB-CG2 4.13Å; A255-V296 CarbonylContact C-O 3.5Å; A255-V296 WeakPolarHBondContact CA-O 3.32Å; A255-V296 HydrophobicContact CB-CB 4.46Å; A255-V296 HydrophobicContact CB-CG2 4.41Å
256V86.6Confident93.3Very high43 Ų4349.9 Ų49.926%0.26131%0.313SS..SBendtrans-131.30.7179-1750000111.7W109 V296 Q297 V299W109-V256 HydrophobicContact CH2-CB 3.96Å; W109-V256 HydrophobicContact CH2-CG1 3.6Å; W109-V256 WeakPolarHBondContact CH2-O 3.3Å; W109-V256 HydrophobicContact CZ2-CB 4.15Å; W109-V256 HydrophobicContact CZ2-CG1 3.88Å; W109-V256 HydrophobicContact CZ3-CG1 4.49Å; W109-V256 WeakPolarHBondContact CZ3-O 3.28Å; V256-V296 CarbonylContact C-O 3.59Å; V256-V296 WeakPolarHBondContact CA-O 3.41Å; V256-V296 PolarHBondContact N-O 2.96Å; V256-Q297 WeakPolarHBondContact CB-O 3.38Å; V256-V299 HydrophobicContact CG1-CG2 3.97Å
257D82.9Confident93.4Very high29 Ų2947 Ų4716%0.15530%0.296CS..  trans173.6118.6158.4-176.1-6.5000105.4W109 T259 V296 A298 G300W109-D257 HydrophobicContact CZ3-CB 4.25Å; D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 WeakPolarHBondContact OD1-CB 3.38Å; D257-T259 PolarHBondContact OD1-N 3.11Å; D257-T259 PolarHBondContact OD1-OG1 3.01Å; D257-V296 PolarHBondContact N-O 2.91Å; D257-V296 WeakPolarHBondContact O-CA 3.25Å; D257-A298 WeakPolarHBondContact CB-O 3.41Å; D257-G300 WeakPolarHBondContact OD2-CA 3.5Å; D257-G300 PolarHBondContact OD2-N 3Å
258T86.1Confident93.4Very high97 Ų9743.6 Ų43.660%0.59528%0.28SS*.  trans-87.2-1.2-178.954.80000112.9A255 G260 A261 V296A255-T258 HydrophobicContact CB-CG2 4.13Å; T258-G260 PolarHBondContact O-N 2.86Å; T258-A261 VanDerWaalsContact O-CB 3.3Å; T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 2.84Å; T258-A261 VanDerWaalsContact O-N 3.15Å; T258-V296 HydrophobicContact CG2-CB 4.4Å; T258-V296 HydrophobicContact CG2-CG1 4.24Å
259T87.1Confident93.4Very high73 Ų7343.2 Ų43.245%0.44828%0.277SS..THydrogen-bonded Turntrans-62123.6-177.2-51.70000110.9D257 A261 T301D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 WeakPolarHBondContact OD1-CB 3.38Å; D257-T259 PolarHBondContact OD1-N 3.11Å; D257-T259 PolarHBondContact OD1-OG1 3.01Å; T259-A261 VanDerWaalsContact C-N 3.34Å; T259-T301 VanDerWaalsContact CG2-OG1 3.27Å; T259-T301 WeakPolarHBondContact CG2-OG1 3.34Å
260G90.9Very high93.5Very high15 Ų1539.2 Ų39.216%0.15525%0.251CS..THydrogen-bonded Turntrans81.72.4-179.900000115.5T258 G262 D263 S264 F305T258-G260 PolarHBondContact O-N 2.86Å; G260-G262 VanDerWaalsContact C-N 3.3Å; G260-G262 PolarHBondContact O-N 3.4Å; G260-D263 WeakPolarHBondContact O-CB 3.27Å; G260-D263 PolarHBondContact O-N 3.04Å; G260-S264 PolarHBondContact O-N 3.36Å; G260-F305 WeakPolarHBondContact O-CE1 3.5Å
261A95.3Very high93.7Very high23 Ų2338 Ų3819%0.1924%0.242CC..Hα-helixtrans-56.5-41.4-179.900000113.1T258 T259 D263 S264 F265 V296T258-A261 VanDerWaalsContact O-CB 3.3Å; T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 2.84Å; T258-A261 VanDerWaalsContact O-N 3.15Å; T259-A261 VanDerWaalsContact C-N 3.34Å; A261-D263 VanDerWaalsContact C-N 3.34Å; A261-D263 PolarHBondContact O-N 3.38Å; A261-S264 WeakPolarHBondContact O-CB 3.48Å; A261-S264 PolarHBondContact O-N 3.06Å; A261-F265 PolarHBondContact O-N 3.45Å; A261-V296 HydrophobicContact CB-CG1 3.51Å
262G96.9Very high94.2Very high36 Ų3634 Ų3437%0.37122%0.218SC..Hα-helixtrans-64.9-36.6175.900000113G260 F265 I266G260-G262 VanDerWaalsContact C-N 3.3Å; G260-G262 PolarHBondContact O-N 3.4Å; G262-F265 WeakPolarHBondContact O-CB 3.05Å; G262-F265 PolarHBondContact O-N 3.27Å; G262-I266 WeakPolarHBondContact O-CD1 3.39Å; G262-I266 WeakPolarHBondContact O-CG1 3.41Å; G262-I266 PolarHBondContact O-N 3.3Å
263D98.6Very high94.5Very high12 Ų1229.7 Ų29.76%0.06418%0.181CC..Hα-helixtrans-69.5-38.3175.5-64.3-37.3000111.3N47 Q48 G260 A261 I266 G267 F305N47-D263 HydrophobicContact CB-CB 3.46Å; N47-D263 VanDerWaalsContact CB-CB 3.46Å; N47-D263 PolarHBondContact ND2-OD2 3.1Å; Q48-D263 HydrophobicContact CG-CB 3.75Å; Q48-D263 WeakPolarHBondContact CG-O 3.31Å; Q48-D263 PolarHBondContact NE2-OD1 3.3Å; G260-D263 WeakPolarHBondContact O-CB 3.27Å; G260-D263 PolarHBondContact O-N 3.04Å; A261-D263 VanDerWaalsContact C-N 3.34Å; A261-D263 PolarHBondContact O-N 3.38Å; D263-I266 PolarHBondContact O-N 3.37Å; D263-G267 PolarHBondContact O-N 3.04Å; D263-F305 HydrophobicContact CB-CZ 4.3Å
264S98.7Very high94.7Very high0 Ų027.1 Ų27.10%017%0.165CC..Hα-helixtrans-61.5-44.6172.21790000111Q51 G260 A261 I266 G267 A268 S295Q51-S264 WeakPolarHBondContact CG-O 3.45Å; Q51-S264 PolarHBondContact OE1-OG 3.27Å; G260-S264 PolarHBondContact O-N 3.36Å; A261-S264 WeakPolarHBondContact O-CB 3.48Å; A261-S264 PolarHBondContact O-N 3.06Å; S264-I266 PolarHBondContact O-N 3.48Å; S264-G267 PolarHBondContact O-N 3.28Å; S264-A268 WeakPolarHBondContact O-CB 3.46Å; S264-A268 PolarHBondContact O-N 3.43Å; S264-S295 PolarHBondContact OG-OG 2.98Å
265F98.8Very high94.9Very high4 Ų422.8 Ų22.82%0.01815%0.148CC..Hα-helixtrans-57.1-49.8174179-85.1000111.8I227 T229 C235 A261 G262 A268 L269 A285 A288 N289 A292I227-F265 HydrophobicContact CG2-CE1 4Å; I227-F265 HydrophobicContact CG2-CZ 3.96Å; T229-F265 HydrophobicContact CG2-CD1 3.95Å; T229-F265 HydrophobicContact CG2-CE1 3.99Å; T229-F265 HydrophobicContact CG2-CG 4.27Å; T229-F265 HydrophobicContact CG2-CZ 4.33Å; C235-F265 HydrophobicContact CB-CZ 4.49Å; A261-F265 PolarHBondContact O-N 3.45Å; G262-F265 WeakPolarHBondContact O-CB 3.05Å; G262-F265 PolarHBondContact O-N 3.27Å; F265-A268 PolarHBondContact O-N 2.96Å; F265-L269 HydrophobicContact CE1-CD2 4.28Å; F265-L269 WeakPolarHBondContact O-CB 3.42Å; F265-L269 PolarHBondContact O-N 2.69Å; F265-A285 WeakPolarHBondContact CE2-O 3.49Å; F265-A285 HydrophobicContact CZ-CB 4.13Å; F265-A288 HydrophobicContact CD2-CB 3.64Å; F265-A288 HydrophobicContact CE2-CB 3.61Å; F265-A288 HydrophobicContact CG-CB 4.12Å; F265-A288 HydrophobicContact CZ-CB 4.08Å; F265-N289 WeakPolarHBondContact CD2-OD1 3.3Å; F265-N289 WeakPolarHBondContact CE2-OD1 3.4Å; F265-A292 HydrophobicContact CB-CB 4.04Å
266I98.9Very high95.3Very high5 Ų523.4 Ų23.43%0.02614%0.144CC..Hα-helixtrans-67.2-40-178.2-68.7158.6000111.7Q48 V144 I169 N171 C191 G262 D263 S264 A268 L269 A270Q48-I266 HydrophobicContact CB-CG2 4.38Å; Q48-I266 HydrophobicContact CG-CB 3.98Å; Q48-I266 HydrophobicContact CG-CG2 3.91Å; V144-I266 HydrophobicContact CG1-CG2 3.89Å; I169-I266 HydrophobicContact CG2-CG2 4.1Å; N171-I266 HydrophobicContact CB-CD1 3.56Å; N171-I266 WeakPolarHBondContact OD1-CD1 3.46Å; C191-I266 HydrophobicContact CB-CG1 4.47Å; G262-I266 WeakPolarHBondContact O-CD1 3.39Å; G262-I266 WeakPolarHBondContact O-CG1 3.41Å; G262-I266 PolarHBondContact O-N 3.3Å; D263-I266 PolarHBondContact O-N 3.37Å; S264-I266 PolarHBondContact O-N 3.48Å; I266-A268 VanDerWaalsContact C-N 3.33Å; I266-A268 PolarHBondContact O-N 2.96Å; I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 2.84Å; I266-A270 WeakPolarHBondContact O-CB 3.35Å; I266-A270 PolarHBondContact O-N 3.24Å
267G98.9Very high95.5Very high1 Ų124.9 Ų24.91%0.0115%0.154CC..Hα-helixtrans-62.9-39.617500000112.4Q48 A52 D263 S264 A270 F271Q48-G267 VanDerWaalsContact O-CA 3.29Å; Q48-G267 WeakPolarHBondContact O-CA 3.35Å; A52-G267 WeakPolarHBondContact CB-O 3.42Å; D263-G267 PolarHBondContact O-N 3.04Å; S264-G267 PolarHBondContact O-N 3.28Å; G267-A270 PolarHBondContact O-N 2.77Å; G267-F271 PolarHBondContact O-N 3.3Å
268A98.8Very high96.1Very high0 Ų031 Ų310%019%0.187CC..Hα-helixtrans-66.4-41.7172.900000112.4L55 S264 F265 I266 A270 F271 Y272 A288 V291L55-A268 HydrophobicContact CD1-CB 3.81Å; S264-A268 WeakPolarHBondContact O-CB 3.46Å; S264-A268 PolarHBondContact O-N 3.43Å; F265-A268 PolarHBondContact O-N 2.96Å; I266-A268 VanDerWaalsContact C-N 3.33Å; I266-A268 PolarHBondContact O-N 2.96Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.22Å; A268-F271 VanDerWaalsContact O-CB 3.3Å; A268-F271 WeakPolarHBondContact O-CB 3.44Å; A268-F271 PolarHBondContact O-N 2.99Å; A268-Y272 HydrophobicContact CB-CE2 4.44Å; A268-Y272 WeakPolarHBondContact O-CD2 3.45Å; A268-Y272 PolarHBondContact O-N 3.44Å; A268-A288 HydrophobicContact CB-CB 3.93Å; A268-V291 HydrophobicContact CB-CB 3.85Å; A268-V291 HydrophobicContact CB-CG1 3.93Å; A268-V291 HydrophobicContact CB-CG2 4.08Å
269L98.9Very high96.6Very high0 Ų027.9 Ų27.90%017%0.166CC..Hα-helixtrans-60.7-41.6174.4-177.264.7000111.8I169 V189 I227 F265 I266 F271 Y272 L273 L281 M284 A288I169-L269 HydrophobicContact CD1-CD2 4.37Å; I169-L269 HydrophobicContact CD1-CG 4.2Å; V189-L269 HydrophobicContact CG1-CD2 4.02Å; I227-L269 HydrophobicContact CD1-CD1 4.3Å; I227-L269 HydrophobicContact CD1-CD2 3.78Å; F265-L269 HydrophobicContact CE1-CD2 4.28Å; F265-L269 WeakPolarHBondContact O-CB 3.42Å; F265-L269 PolarHBondContact O-N 2.69Å; I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 2.84Å; L269-F271 VanDerWaalsContact C-N 3.35Å; L269-F271 PolarHBondContact O-N 2.83Å; L269-Y272 PolarHBondContact O-N 3.05Å; L269-L273 HydrophobicContact CG-CD1 4.48Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.7Å; L269-L281 HydrophobicContact CD1-CD1 4.05Å; L269-M284 HydrophobicContact CD1-CB 3.95Å; L269-A288 HydrophobicContact CB-CB 4.43Å
270A98.8Very high97.1Very high1 Ų128.2 Ų28.21%0.00817%0.17CC..Hα-helixtrans-62.6-40.8175.600000112.1V8 V142 V144 I169 I266 G267 A268 A274V8-A270 HydrophobicContact CG1-CB 4Å; V8-A270 HydrophobicContact CG2-CB 4.13Å; V142-A270 HydrophobicContact CG1-CB 4.41Å; V144-A270 HydrophobicContact CG2-CB 3.84Å; I169-A270 HydrophobicContact CD1-CB 3.67Å; I266-A270 WeakPolarHBondContact O-CB 3.35Å; I266-A270 PolarHBondContact O-N 3.24Å; G267-A270 PolarHBondContact O-N 2.77Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.22Å; A270-A274 WeakPolarHBondContact O-CB 3.21Å; A270-A274 PolarHBondContact O-N 2.83Å
271F98.8Very high97.5Very high4 Ų428.3 Ų28.32%0.01817%0.167CC..Hα-helixtrans-55.7-52.9170.7165.2-85.7000111.3L55 V57 G267 A268 L269 A274 H275 H276 F316L55-F271 HydrophobicContact CB-CB 4.2Å; L55-F271 HydrophobicContact CB-CD1 4.45Å; L55-F271 HydrophobicContact CB-CD2 3.38Å; L55-F271 HydrophobicContact CB-CE2 3.92Å; L55-F271 HydrophobicContact CB-CG 3.76Å; L55-F271 HydrophobicContact CD1-CB 3.76Å; L55-F271 HydrophobicContact CD1-CD1 4.2Å; L55-F271 HydrophobicContact CD1-CD2 4.35Å; L55-F271 HydrophobicContact CD1-CG 3.84Å; L55-F271 HydrophobicContact CG-CG 4.47Å; L55-F271 WeakPolarHBondContact O-CE2 3.43Å; V57-F271 HydrophobicContact CB-CD2 4.3Å; V57-F271 HydrophobicContact CG1-CD2 3.28Å; V57-F271 HydrophobicContact CG1-CE2 3.61Å; V57-F271 HydrophobicContact CG1-CG 4.25Å; V57-F271 HydrophobicContact CG2-CB 4.48Å; V57-F271 HydrophobicContact CG2-CD2 4.18Å; G267-F271 PolarHBondContact O-N 3.3Å; A268-F271 VanDerWaalsContact O-CB 3.3Å; A268-F271 WeakPolarHBondContact O-CB 3.44Å; A268-F271 PolarHBondContact O-N 2.99Å; L269-F271 VanDerWaalsContact C-N 3.35Å; L269-F271 PolarHBondContact O-N 2.83Å; F271-A274 PolarHBondContact O-N 2.86Å; F271-H275 PolarHBondContact O-N 3.28Å; F271-H276 AromaticContact CE1-CD2 3.99Å; F271-H276 AromaticContact CE1-NE2 3.86Å; F271-F316 AromaticContact CE1-CD1 3.97Å; F271-F316 HydrophobicContact CE1-CD1 3.97Å; F271-F316 HydrophobicContact CE1-CE1 4.15Å; F271-F316 AromaticContact CZ-CD1 3.66Å; F271-F316 HydrophobicContact CZ-CD1 3.66Å; F271-F316 AromaticContact CZ-CE1 3.95Å; F271-F316 HydrophobicContact CZ-CE1 3.95Å
272Y98.7Very high97.6Very high0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-65.6-42.4-176.1-74.8-60.5000112.6A268 L269 A274 H276 M279 M284 R287 L315A268-Y272 HydrophobicContact CB-CE2 4.44Å; A268-Y272 WeakPolarHBondContact O-CD2 3.45Å; A268-Y272 PolarHBondContact O-N 3.44Å; L269-Y272 PolarHBondContact O-N 3.05Å; Y272-A274 PolarHBondContact O-N 2.6Å; Y272-H276 AromaticContact CD1-CD2 3.74Å; Y272-H276 CarbonylContact O-C 3.37Å; Y272-H276 WeakPolarHBondContact O-CA 3.5Å; Y272-H276 WeakPolarHBondContact O-CB 3.4Å; Y272-H276 PolarHBondContact O-N 3.45Å; Y272-M279 HydrophobicContact CD1-CE 4.3Å; Y272-M279 HydrophobicContact CD1-SD 4.09Å; Y272-M284 HydrophobicContact CG-CB 4.41Å; Y272-R287 HydrophobicContact CD2-CB 4.12Å; Y272-R287 HydrophobicContact CE1-CB 4.09Å; Y272-R287 VanDerWaalsContact CE1-CD 3.48Å; Y272-R287 HydrophobicContact CE1-CG 4.45Å; Y272-R287 HydrophobicContact CE2-CB 3.36Å; Y272-R287 HydrophobicContact CE2-CG 4.5Å; Y272-R287 WeakPolarHBondContact OH-CB 3.42Å; Y272-L315 WeakPolarHBondContact CE1-O 3.49Å; Y272-L315 PolarHBondContact OH-O 3.19Å
273L98.1Very high97.7Very high11 Ų1129.5 Ų29.56%0.05816%0.158CC..Hα-helixtrans-55.8-54.9171.9-74.7173.7000109V142 R167 I169 V189 L269 H275 M284V142-L273 HydrophobicContact CG2-CB 3.66Å; R167-L273 VanDerWaalsContact NH1-CD2 3.3Å; R167-L273 PolarHBondContact NH1-O 3.04Å; R167-L273 VanDerWaalsContact NH2-C 3.3Å; R167-L273 PolarHBondContact NH2-O 2.97Å; I169-L273 HydrophobicContact CD1-CD1 3.61Å; I169-L273 HydrophobicContact CG1-CD1 3.57Å; V189-L273 HydrophobicContact CG2-CD1 4.12Å; L269-L273 HydrophobicContact CG-CD1 4.48Å; L269-L273 WeakPolarHBondContact O-CG 3.47Å; L269-L273 PolarHBondContact O-N 2.7Å; L273-H275 PolarHBondContact O-N 2.9Å; L273-M284 HydrophobicContact CD2-CE 4.03Å; L273-M284 HydrophobicContact CD2-SD 3.56Å; L273-M284 VanDerWaalsContact CD2-SD 3.56Å; L273-M284 HydrophobicContact CG-SD 3.96Å
274A97.6Very high97.7Very high3 Ų329 Ų293%0.02516%0.156CC..Hα-helixtrans-63.4-33.7-173.100000115.3D7 V8 K141 V142 A270 F271 Y272D7-A274 HydrophobicContact CB-CB 4.05Å; V8-A274 HydrophobicContact CG2-CB 3.91Å; K141-A274 HydrophobicContact CB-CB 4.22Å; K141-A274 HydrophobicContact CD-CB 4.29Å; K141-A274 WeakPolarHBondContact CD-O 3.2Å; K141-A274 PolarHBondContact NZ-O 3.12Å; V142-A274 HydrophobicContact CG2-CB 3.88Å; A270-A274 WeakPolarHBondContact O-CB 3.21Å; A270-A274 PolarHBondContact O-N 2.83Å; F271-A274 PolarHBondContact O-N 2.86Å; Y272-A274 PolarHBondContact O-N 2.6Å
275H95.7Very high97.7Very high83 Ų8329 Ų2938%0.38416%0.156SC..Hα-helixtrans-108.4-21.2-174.4-89.2-114.8000115.2D7 V57 F271 L273 P277D7-H275 IonicContact OD1-CD2 3.72Å; D7-H275 IonicContact OD1-NE2 3.18Å; D7-H275 PolarHBondContact OD1-NE2 2.76Å; D7-H275 IonicContact OD2-CD2 3.89Å; D7-H275 IonicContact OD2-CE1 3.94Å; D7-H275 IonicContact OD2-NE2 2.96Å; D7-H275 PolarHBondContact OD2-NE2 3.09Å; V57-H275 WeakPolarHBondContact CG1-CD2 3.13Å; V57-H275 WeakPolarHBondContact CG1-NE2 3.3Å; F271-H275 PolarHBondContact O-N 3.28Å; L273-H275 PolarHBondContact O-N 2.9Å; H275-P277 VanDerWaalsContact C-CD 3.42Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å
276H95.6Very high97.7Very high51 Ų5132.5 Ų32.524%0.23617%0.169CC..  trans-12558.5-178-57.1-87.9000111.4F271 Y272 D278 M279 M284 F316F271-H276 AromaticContact CE1-CD2 3.99Å; F271-H276 AromaticContact CE1-NE2 3.86Å; Y272-H276 AromaticContact CD1-CD2 3.74Å; Y272-H276 CarbonylContact O-C 3.37Å; Y272-H276 WeakPolarHBondContact O-CA 3.5Å; Y272-H276 WeakPolarHBondContact O-CB 3.4Å; Y272-H276 PolarHBondContact O-N 3.45Å; H276-D278 PolarHBondContact O-N 3.16Å; H276-M279 HydrophobicContact CB-CB 3.96Å; H276-M279 HydrophobicContact CB-CE 3.89Å; H276-M279 HydrophobicContact CB-SD 4.41Å; H276-M279 VanDerWaalsContact O-CB 3.27Å; H276-M279 WeakPolarHBondContact O-CB 3.5Å; H276-M279 PolarHBondContact O-N 2.95Å; H276-M284 WeakPolarHBondContact O-CE 3.33Å; H276-F316 PolarHBondContact CE1-O 2.67Å
277P91.6Very high97.7Very high74 Ų7434 Ų3448%0.48117%0.174SC..THydrogen-bonded Turntrans-59.8-24.9-170.526.1-36.1000114.8H275H275-P277 VanDerWaalsContact C-CD 3.42Å; H275-P277 WeakPolarHBondContact O-CD 3.39Å
278D95.4Very high97.6Very high158 Ų15833.9 Ų33.985%0.84517%0.174SC*.THydrogen-bonded Turntrans-89-5.4-179.8-53.6-51.5000113.4H276H276-D278 PolarHBondContact O-N 3.16Å
279M97.3Very high97.6Very high31 Ų3134.4 Ų34.415%0.15318%0.176CC..SBendtrans-71.2133.6178-177.8-177.3-71.200110.1Y272 H276 E283 M284Y272-M279 HydrophobicContact CD1-CE 4.3Å; Y272-M279 HydrophobicContact CD1-SD 4.09Å; H276-M279 HydrophobicContact CB-CB 3.96Å; H276-M279 HydrophobicContact CB-CE 3.89Å; H276-M279 HydrophobicContact CB-SD 4.41Å; H276-M279 VanDerWaalsContact O-CB 3.27Å; H276-M279 WeakPolarHBondContact O-CB 3.5Å; H276-M279 PolarHBondContact O-N 2.95Å; M279-E283 HydrophobicContact CE-CG 4.44Å; M279-E283 HydrophobicContact CG-CB 3.84Å; M279-E283 HydrophobicContact CG-CG 3.59Å; M279-E283 HydrophobicContact SD-CB 4.35Å; M279-E283 HydrophobicContact SD-CG 3.72Å; M279-M284 HydrophobicContact CB-CE 3.83Å; M279-M284 HydrophobicContact CB-CG 4.07Å; M279-M284 HydrophobicContact CG-CG 3.79Å; M279-M284 WeakPolarHBondContact O-CE 3.27Å; M279-M284 HydrophobicContact SD-CB 4.35Å; M279-M284 HydrophobicContact SD-CG 3.66Å
280P97.4Very high97.6Very high80 Ų8036.8 Ų36.852%0.51919%0.187SC..  trans-57.3141.7174-25.634.9000111.8E282 E283 M284P280-E282 PolarHBondContact O-N 2.82Å; P280-E283 HydrophobicContact CB-CB 4.41Å; P280-E283 WeakPolarHBondContact O-CA 3.31Å; P280-E283 WeakPolarHBondContact O-CB 3.46Å; P280-E283 PolarHBondContact O-N 3.45Å; P280-M284 PolarHBondContact O-N 2.88Å
281L98.3Very high97.6Very high18 Ų1836.7 Ų36.79%0.09419%0.187CC..Hα-helixtrans-58.5-34.7-177.3-175.161.9000112.3V189 A225 I227 V237 K239 L269 E283 M284 A285V189-L281 HydrophobicContact CG2-CD1 4.21Å; A225-L281 HydrophobicContact CB-CD2 3.58Å; I227-L281 HydrophobicContact CD1-CD1 4.14Å; I227-L281 HydrophobicContact CD1-CD2 4.43Å; I227-L281 HydrophobicContact CD1-CG 4.26Å; V237-L281 HydrophobicContact CG1-CB 4.37Å; V237-L281 HydrophobicContact CG1-CD2 3.71Å; V237-L281 HydrophobicContact CG1-CG 3.89Å; K239-L281 HydrophobicContact CD-CB 4.27Å; K239-L281 HydrophobicContact CD-CD2 4.34Å; K239-L281 HydrophobicContact CG-CD2 4.11Å; L269-L281 HydrophobicContact CD1-CD1 4.05Å; L281-E283 VanDerWaalsContact C-N 3.31Å; L281-E283 PolarHBondContact O-N 2.82Å; L281-M284 HydrophobicContact CD1-SD 4.3Å; L281-M284 PolarHBondContact O-N 2.77Å; L281-A285 WeakPolarHBondContact O-CB 3.5Å; L281-A285 PolarHBondContact O-N 3.03Å
282E98.2Very high97.5Very high32 Ų3237 Ų3715%0.1519%0.19CC..Hα-helixtrans-62.2-39.2175.5-61.579.2-177.800111.8V237 K239 T246 V248 P280 A285 R286V237-E282 HydrophobicContact CB-CG 4.3Å; V237-E282 HydrophobicContact CG1-CG 4.29Å; K239-E282 VanDerWaalsContact CE-OE1 3.23Å; K239-E282 WeakPolarHBondContact CE-OE1 3.08Å; K239-E282 VanDerWaalsContact NZ-CD 3.32Å; K239-E282 IonicContact NZ-OE1 3.17Å; K239-E282 PolarHBondContact NZ-OE1 2.8Å; K239-E282 IonicContact NZ-OE2 2.89Å; K239-E282 PolarHBondContact NZ-OE2 3.47Å; K239-E282 VanDerWaalsContact NZ-OE2 3.11Å; T246-E282 HydrophobicContact CG2-CG 4.01Å; V248-E282 HydrophobicContact CG2-CB 4.27Å; P280-E282 PolarHBondContact O-N 2.82Å; E282-A285 PolarHBondContact O-N 2.86Å; E282-R286 WeakPolarHBondContact O-CB 3.22Å; E282-R286 PolarHBondContact O-N 2.92Å
283E98.3Very high97.4Very high51 Ų5137.5 Ų37.524%0.23819%0.194CC..Hα-helixtrans-72.9-39.2176.8174.560.2-16800111.1M279 P280 L281 A285 R286 R287M279-E283 HydrophobicContact CE-CG 4.44Å; M279-E283 HydrophobicContact CG-CB 3.84Å; M279-E283 HydrophobicContact CG-CG 3.59Å; M279-E283 HydrophobicContact SD-CB 4.35Å; M279-E283 HydrophobicContact SD-CG 3.72Å; P280-E283 HydrophobicContact CB-CB 4.41Å; P280-E283 WeakPolarHBondContact O-CA 3.31Å; P280-E283 WeakPolarHBondContact O-CB 3.46Å; P280-E283 PolarHBondContact O-N 3.45Å; L281-E283 VanDerWaalsContact C-N 3.31Å; L281-E283 PolarHBondContact O-N 2.82Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.89Å; E283-R286 PolarHBondContact O-N 3.45Å; E283-R286 IonicContact OE1-CZ 3.55Å; E283-R286 IonicContact OE1-NE 3.54Å; E283-R286 IonicContact OE1-NH2 2.85Å; E283-R286 PolarHBondContact OE1-NH2 3.49Å; E283-R286 IonicContact OE2-CZ 3.32Å; E283-R286 IonicContact OE2-NE 3.58Å; E283-R286 PolarHBondContact OE2-NE 3.49Å; E283-R286 IonicContact OE2-NH2 2.7Å; E283-R286 PolarHBondContact OE2-NH2 2.91Å; E283-R287 WeakPolarHBondContact O-CG 3.44Å; E283-R287 PolarHBondContact O-N 3.01Å; E283-R287 IonicContact OE1-CZ 3.42Å; E283-R287 IonicContact OE1-NE 3.4Å; E283-R287 PolarHBondContact OE1-NE 3.11Å; E283-R287 IonicContact OE1-NH2 3.75Å; E283-R287 PolarHBondContact OE1-NH2 3.08Å
284M98.6Very high97.4Very high3 Ų339.4 Ų39.42%0.01521%0.206CC..Hα-helixtrans-59.4-45.4171.6-59.9-177.4167.100111.1L269 Y272 L273 H276 M279 P280 L281 R287 A288L269-M284 HydrophobicContact CD1-CB 3.95Å; Y272-M284 HydrophobicContact CG-CB 4.41Å; L273-M284 HydrophobicContact CD2-CE 4.03Å; L273-M284 HydrophobicContact CD2-SD 3.56Å; L273-M284 VanDerWaalsContact CD2-SD 3.56Å; L273-M284 HydrophobicContact CG-SD 3.96Å; H276-M284 WeakPolarHBondContact O-CE 3.33Å; M279-M284 HydrophobicContact CB-CE 3.83Å; M279-M284 HydrophobicContact CB-CG 4.07Å; M279-M284 HydrophobicContact CG-CG 3.79Å; M279-M284 WeakPolarHBondContact O-CE 3.27Å; M279-M284 HydrophobicContact SD-CB 4.35Å; M279-M284 HydrophobicContact SD-CG 3.66Å; P280-M284 PolarHBondContact O-N 2.88Å; L281-M284 HydrophobicContact CD1-SD 4.3Å; L281-M284 PolarHBondContact O-N 2.77Å; M284-R287 PolarHBondContact O-N 3.38Å; M284-A288 WeakPolarHBondContact O-CB 3.49Å; M284-A288 PolarHBondContact O-N 2.97Å
285A98.6Very high97.3Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-65.1-38.6177.700000111.9I227 V237 F265 L281 E282 E283 R287 A288 N289I227-A285 HydrophobicContact CD1-CB 4.37Å; V237-A285 HydrophobicContact CG2-CB 3.8Å; F265-A285 WeakPolarHBondContact CE2-O 3.49Å; F265-A285 HydrophobicContact CZ-CB 4.13Å; L281-A285 WeakPolarHBondContact O-CB 3.5Å; L281-A285 PolarHBondContact O-N 3.03Å; E282-A285 PolarHBondContact O-N 2.86Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.89Å; A285-R287 PolarHBondContact O-N 3.47Å; A285-A288 PolarHBondContact O-N 3.38Å; A285-N289 PolarHBondContact O-N 3.06Å
286R98.6Very high97.2Very high76 Ų7636.1 Ų36.129%0.28719%0.191SC..Hα-helixtrans-60.7-45.9174.9-168.3-168.765.168.83.6111.5V248 E282 E283 N289 Q290V248-R286 HydrophobicContact CG1-CB 3.58Å; V248-R286 HydrophobicContact CG1-CG 3.96Å; E282-R286 WeakPolarHBondContact O-CB 3.22Å; E282-R286 PolarHBondContact O-N 2.92Å; E283-R286 PolarHBondContact O-N 3.45Å; E283-R286 IonicContact OE1-CZ 3.55Å; E283-R286 IonicContact OE1-NE 3.54Å; E283-R286 IonicContact OE1-NH2 2.85Å; E283-R286 PolarHBondContact OE1-NH2 3.49Å; E283-R286 IonicContact OE2-CZ 3.32Å; E283-R286 IonicContact OE2-NE 3.58Å; E283-R286 PolarHBondContact OE2-NE 3.49Å; E283-R286 IonicContact OE2-NH2 2.7Å; E283-R286 PolarHBondContact OE2-NH2 2.91Å; R286-N289 WeakPolarHBondContact O-CB 3.24Å; R286-N289 PolarHBondContact O-N 3.02Å; R286-Q290 VanDerWaalsContact NH1-NE2 3.18Å; R286-Q290 WeakPolarHBondContact O-CG 3.37Å; R286-Q290 PolarHBondContact O-N 2.86Å; R286-Q290 VanDerWaalsContact O-N 3.16Å
287R98.6Very high97.1Very high36 Ų3638 Ų3814%0.13620%0.2CC..Hα-helixtrans-69.8-37.6177-65-177.6-175.1-144.2-4.7112Y272 E283 M284 A285 N289 Q290 V291 D314 L315Y272-R287 HydrophobicContact CD2-CB 4.12Å; Y272-R287 HydrophobicContact CE1-CB 4.09Å; Y272-R287 VanDerWaalsContact CE1-CD 3.48Å; Y272-R287 HydrophobicContact CE1-CG 4.45Å; Y272-R287 HydrophobicContact CE2-CB 3.36Å; Y272-R287 HydrophobicContact CE2-CG 4.5Å; Y272-R287 WeakPolarHBondContact OH-CB 3.42Å; E283-R287 WeakPolarHBondContact O-CG 3.44Å; E283-R287 PolarHBondContact O-N 3.01Å; E283-R287 IonicContact OE1-CZ 3.42Å; E283-R287 IonicContact OE1-NE 3.4Å; E283-R287 PolarHBondContact OE1-NE 3.11Å; E283-R287 IonicContact OE1-NH2 3.75Å; E283-R287 PolarHBondContact OE1-NH2 3.08Å; M284-R287 PolarHBondContact O-N 3.38Å; A285-R287 PolarHBondContact O-N 3.47Å; R287-N289 VanDerWaalsContact C-N 3.32Å; R287-N289 PolarHBondContact O-N 3.08Å; R287-Q290 WeakPolarHBondContact O-CB 3.5Å; R287-Q290 PolarHBondContact O-N 2.99Å; R287-Q290 VanDerWaalsContact O-N 3.08Å; R287-V291 WeakPolarHBondContact O-CG2 3.21Å; R287-V291 PolarHBondContact O-N 3.42Å; R287-D314 VanDerWaalsContact CZ-O 3.3Å; R287-D314 PolarHBondContact NH1-O 2.84Å; R287-D314 PolarHBondContact NH2-O 3.01Å; R287-L315 HydrophobicContact CB-CD2 4.24Å; R287-L315 HydrophobicContact CG-CD2 4.07Å; R287-L315 PolarHBondContact NH1-O 3.09Å
288A98.6Very high97.1Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-61-38.9172.600000112.3F265 A268 L269 M284 A285 Q290 V291 A292F265-A288 HydrophobicContact CD2-CB 3.64Å; F265-A288 HydrophobicContact CE2-CB 3.61Å; F265-A288 HydrophobicContact CG-CB 4.12Å; F265-A288 HydrophobicContact CZ-CB 4.08Å; A268-A288 HydrophobicContact CB-CB 3.93Å; L269-A288 HydrophobicContact CB-CB 4.43Å; M284-A288 WeakPolarHBondContact O-CB 3.49Å; M284-A288 PolarHBondContact O-N 2.97Å; A285-A288 PolarHBondContact O-N 3.38Å; A288-Q290 VanDerWaalsContact C-N 3.33Å; A288-Q290 PolarHBondContact O-N 2.7Å; A288-V291 PolarHBondContact O-N 3.43Å; A288-A292 WeakPolarHBondContact O-CB 3.33Å; A288-A292 PolarHBondContact O-N 3.05Å
289N98.4Very high96.7Very high10 Ų1033.4 Ų33.45%0.05318%0.181CC..Hα-helixtrans-59.6-41.9170.4-81.6-26.5000111.7V248 F265 A285 R286 R287 A292 A293V248-N289 PolarHBondContact O-ND2 3.22Å; F265-N289 WeakPolarHBondContact CD2-OD1 3.3Å; F265-N289 WeakPolarHBondContact CE2-OD1 3.4Å; A285-N289 PolarHBondContact O-N 3.06Å; R286-N289 WeakPolarHBondContact O-CB 3.24Å; R286-N289 PolarHBondContact O-N 3.02Å; R287-N289 VanDerWaalsContact C-N 3.32Å; R287-N289 PolarHBondContact O-N 3.08Å; N289-A292 PolarHBondContact O-N 3.02Å; N289-A293 VanDerWaalsContact O-CB 3.24Å; N289-A293 WeakPolarHBondContact O-CB 3.26Å; N289-A293 PolarHBondContact O-N 3.15Å
290Q98.2Very high96Very high50 Ų5032.5 Ų32.523%0.23418%0.179CC..Hα-helixtrans-65.5-40.3177.9-69.2176.1-52.800112.1R286 R287 A288 A293 V294 L315R286-Q290 VanDerWaalsContact NH1-NE2 3.18Å; R286-Q290 WeakPolarHBondContact O-CG 3.37Å; R286-Q290 PolarHBondContact O-N 2.86Å; R286-Q290 VanDerWaalsContact O-N 3.16Å; R287-Q290 WeakPolarHBondContact O-CB 3.5Å; R287-Q290 PolarHBondContact O-N 2.99Å; R287-Q290 VanDerWaalsContact O-N 3.08Å; A288-Q290 VanDerWaalsContact C-N 3.33Å; A288-Q290 PolarHBondContact O-N 2.7Å; Q290-A293 PolarHBondContact O-N 2.92Å; Q290-V294 PolarHBondContact O-N 3.27Å; Q290-L315 HydrophobicContact CB-CD1 4.46Å; Q290-L315 HydrophobicContact CB-CD2 4.23Å
291V98.3Very high95.7Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-64.6-47.5174.7176.90000111.1Q51 L55 A268 R287 A288 A293 V294 S295 P306 L311 L315Q51-V291 HydrophobicContact CG-CG1 4.45Å; L55-V291 HydrophobicContact CD1-CG1 4.46Å; L55-V291 HydrophobicContact CD2-CG1 4.36Å; L55-V291 HydrophobicContact CD2-CG2 4.4Å; A268-V291 HydrophobicContact CB-CB 3.85Å; A268-V291 HydrophobicContact CB-CG1 3.93Å; A268-V291 HydrophobicContact CB-CG2 4.08Å; R287-V291 WeakPolarHBondContact O-CG2 3.21Å; R287-V291 PolarHBondContact O-N 3.42Å; A288-V291 PolarHBondContact O-N 3.43Å; V291-A293 VanDerWaalsContact C-N 3.3Å; V291-A293 PolarHBondContact O-N 2.8Å; V291-V294 WeakPolarHBondContact O-CB 2.68Å; V291-V294 PolarHBondContact O-N 3.43Å; V291-V294 VanDerWaalsContact O-N 3.09Å; V291-S295 PolarHBondContact O-N 3.27Å; V291-P306 HydrophobicContact CG1-CG 3.85Å; V291-L311 HydrophobicContact CG1-CD1 4.47Å; V291-L311 HydrophobicContact CG2-CD1 4Å; V291-L315 HydrophobicContact CG2-CD1 4.29Å
292A97.8Very high95.6Very high11 Ų1129 Ų299%0.09116%0.157CC..Hα-helixtrans-63.9-34.8177.100000112.3F265 A288 N289 V294 S295 V296F265-A292 HydrophobicContact CB-CB 4.04Å; A288-A292 WeakPolarHBondContact O-CB 3.33Å; A288-A292 PolarHBondContact O-N 3.05Å; N289-A292 PolarHBondContact O-N 3.02Å; A292-V294 PolarHBondContact O-N 3.41Å; A292-S295 PolarHBondContact O-N 2.88Å; A292-S295 PolarHBondContact O-OG 2.83Å; A292-V296 PolarHBondContact O-N 3.19Å; A292-V296 VanDerWaalsContact O-N 3.16Å
293A96.7Very high95.4Very high9 Ų932.7 Ų32.77%0.07418%0.181CC..Hα-helixtrans-64.4-25.5174.900000112.6V253 N289 Q290 V291 V296 Q297V253-A293 HydrophobicContact CG1-CB 4.22Å; V253-A293 HydrophobicContact CG2-CB 4.3Å; N289-A293 VanDerWaalsContact O-CB 3.24Å; N289-A293 WeakPolarHBondContact O-CB 3.26Å; N289-A293 PolarHBondContact O-N 3.15Å; Q290-A293 PolarHBondContact O-N 2.92Å; V291-A293 VanDerWaalsContact C-N 3.3Å; V291-A293 PolarHBondContact O-N 2.8Å; A293-V296 WeakPolarHBondContact O-CG2 3.5Å; A293-Q297 WeakPolarHBondContact O-CG 3.49Å; A293-Q297 PolarHBondContact O-NE2 2.94Å
294V97.4Very high95.3Very high51 Ų5130.7 Ų30.731%0.30917%0.173SC..Hα-helixtrans-76.8-40.7172.5177.20000111.2Q290 V291 A292 V296 Q297 P306 L311Q290-V294 PolarHBondContact O-N 3.27Å; V291-V294 WeakPolarHBondContact O-CB 2.68Å; V291-V294 PolarHBondContact O-N 3.43Å; V291-V294 VanDerWaalsContact O-N 3.09Å; A292-V294 PolarHBondContact O-N 3.41Å; V294-V296 VanDerWaalsContact C-N 3.27Å; V294-V296 PolarHBondContact O-N 3.5Å; V294-Q297 WeakPolarHBondContact O-CB 2.68Å; V294-Q297 PolarHBondContact O-N 3.33Å; V294-Q297 VanDerWaalsContact O-N 3.12Å; V294-P306 HydrophobicContact CB-CB 4.42Å; V294-P306 HydrophobicContact CB-CG 4.12Å; V294-P306 HydrophobicContact CG1-CB 3.8Å; V294-P306 HydrophobicContact CG1-CG 4.01Å; V294-L311 HydrophobicContact CB-CD2 4.28Å; V294-L311 HydrophobicContact CG1-CD2 4.45Å; V294-L311 HydrophobicContact CG2-CD2 3.84Å
295S96.2Very high95.3Very high1 Ų130.7 Ų30.71%0.00717%0.173CC..Hα-helixtrans-61.5-37.1178.563.20000112S264 V291 A292 Q297 A298 S304S264-S295 PolarHBondContact OG-OG 2.98Å; V291-S295 PolarHBondContact O-N 3.27Å; A292-S295 PolarHBondContact O-N 2.88Å; A292-S295 PolarHBondContact O-OG 2.83Å; S295-Q297 PolarHBondContact O-N 2.95Å; S295-A298 PolarHBondContact O-N 3.48Å; S295-S304 WeakPolarHBondContact CA-O 3.1Å; S295-S304 WeakPolarHBondContact O-CB 3.24Å; S295-S304 PolarHBondContact O-OG 2.56Å
296V93.3Very high95.3Very high16 Ų1631 Ų3110%0.09718%0.175CC..THydrogen-bonded Turntrans-68.2-6.8179.7-54.20000115V253 A255 V256 D257 T258 A261 A292 A293 V294V253-V296 HydrophobicContact CG2-CG2 3.66Å; A255-V296 CarbonylContact C-O 3.5Å; A255-V296 WeakPolarHBondContact CA-O 3.32Å; A255-V296 HydrophobicContact CB-CB 4.46Å; A255-V296 HydrophobicContact CB-CG2 4.41Å; V256-V296 CarbonylContact C-O 3.59Å; V256-V296 WeakPolarHBondContact CA-O 3.41Å; V256-V296 PolarHBondContact N-O 2.96Å; D257-V296 PolarHBondContact N-O 2.91Å; D257-V296 WeakPolarHBondContact O-CA 3.25Å; T258-V296 HydrophobicContact CG2-CB 4.4Å; T258-V296 HydrophobicContact CG2-CG1 4.24Å; A261-V296 HydrophobicContact CB-CG1 3.51Å; A292-V296 PolarHBondContact O-N 3.19Å; A292-V296 VanDerWaalsContact O-N 3.16Å; A293-V296 WeakPolarHBondContact O-CG2 3.5Å; V294-V296 VanDerWaalsContact C-N 3.27Å; V294-V296 PolarHBondContact O-N 3.5Å
297Q94.3Very high95.3Very high91 Ų9130.4 Ų30.443%0.42518%0.175SC..THydrogen-bonded Turntrans-93.92.5-178.4-67.7174.878.900113.5V253 V256 A293 V294 S295V253-Q297 HydrophobicContact CB-CG 4.16Å; V253-Q297 HydrophobicContact CG2-CG 4.3Å; V256-Q297 WeakPolarHBondContact CB-O 3.38Å; A293-Q297 WeakPolarHBondContact O-CG 3.49Å; A293-Q297 PolarHBondContact O-NE2 2.94Å; V294-Q297 WeakPolarHBondContact O-CB 2.68Å; V294-Q297 PolarHBondContact O-N 3.33Å; V294-Q297 VanDerWaalsContact O-N 3.12Å; S295-Q297 PolarHBondContact O-N 2.95Å
298A90.3Very high95.3Very high41 Ų4133.3 Ų33.334%0.33919%0.188SC..SBendtrans-134.5155.8176.600000111.3D257 S295 S304D257-A298 WeakPolarHBondContact CB-O 3.41Å; S295-A298 PolarHBondContact O-N 3.48Å; A298-S304 WeakPolarHBondContact O-CB 3.16Å
299V87Confident95.2Very high95 Ų9542.4 Ų42.458%0.57622%0.223SC*.SBendtrans-75.9140.5-177.9178.40000111.8V256 T303V256-V299 HydrophobicContact CG1-CG2 3.97Å; V299-T303 PolarHBondContact O-OG1 2.89Å
300G82.8Confident95.1Very high12 Ų1246.5 Ų46.512%0.12425%0.245CC..SBendtrans87.9149.7169.400000113.3D257 T303 S304D257-G300 WeakPolarHBondContact OD2-CA 3.5Å; D257-G300 PolarHBondContact OD2-N 3Å; G300-T303 WeakPolarHBondContact CA-OG1 3.24Å; G300-T303 PolarHBondContact O-OG1 3.44Å; G300-S304 WeakPolarHBondContact O-CB 3.19Å; G300-S304 PolarHBondContact O-N 3.41Å; G300-S304 VanDerWaalsContact O-N 3.12Å; G300-S304 PolarHBondContact O-OG 2.98Å
301T90.6Very high95.1Very high17 Ų1745 Ų4510%0.10424%0.238CC..Hα-helixtrans-57.5-88.7-174.2-45.30000112.8N47 T259 T303 S304 F305N47-T301 WeakPolarHBondContact ND2-CG2 3.37Å; T259-T301 VanDerWaalsContact CG2-OG1 3.27Å; T259-T301 WeakPolarHBondContact CG2-OG1 3.34Å; T301-T303 PolarHBondContact O-N 3.21Å; T301-S304 PolarHBondContact O-N 3.48Å; T301-S304 PolarHBondContact O-OG 3.03Å; T301-F305 HydrophobicContact CG2-CZ 4.18Å; T301-F305 WeakPolarHBondContact O-CD1 3.42Å; T301-F305 WeakPolarHBondContact O-CE1 3.47Å
302Q96.5Very high95Very high7 Ų748.3 Ų48.33%0.03326%0.26CS..Hα-helixtrans-67.8-24.7-177.8-65.9177.49.800112.7F41 G42 N47 I50 R54 N77 S304 F305F41-Q302 VanDerWaalsContact O-CD 3.23Å; F41-Q302 VanDerWaalsContact O-CG 3.31Å; F41-Q302 WeakPolarHBondContact O-CG 3.42Å; F41-Q302 PolarHBondContact O-NE2 3Å; G42-Q302 PolarHBondContact O-NE2 2.85Å; N47-Q302 WeakPolarHBondContact OD1-CG 3.34Å; N47-Q302 PolarHBondContact OD1-NE2 2.78Å; I50-Q302 VanDerWaalsContact CD1-CD 3.45Å; I50-Q302 HydrophobicContact CD1-CG 4.34Å; R54-Q302 PolarHBondContact NH1-O 3.34Å; R54-Q302 PolarHBondContact NH2-O 3.41Å; R54-Q302 VanDerWaalsContact NH2-O 3.13Å; N77-Q302 PolarHBondContact ND2-OE1 3.27Å; Q302-S304 VanDerWaalsContact C-N 3.27Å; Q302-S304 PolarHBondContact O-N 3.5Å; Q302-F305 HydrophobicContact CG-CE2 4.15Å; Q302-F305 PolarHBondContact O-N 3.02Å
303T95.4Very high94.8Very high109 Ų10951.9 Ų51.967%0.66929%0.289SS*.Hα-helixtrans-69.6-24.4179.247.90000113V299 G300 T301V299-T303 PolarHBondContact O-OG1 2.89Å; G300-T303 WeakPolarHBondContact CA-OG1 3.24Å; G300-T303 PolarHBondContact O-OG1 3.44Å; T301-T303 PolarHBondContact O-N 3.21Å
304S96Very high94.7Very high9 Ų956.1 Ų56.16%0.06331%0.311CS..Hα-helixtrans-85.5-16.9177.867.40000114.3S295 A298 G300 T301 Q302 P306S295-S304 WeakPolarHBondContact CA-O 3.1Å; S295-S304 WeakPolarHBondContact O-CB 3.24Å; S295-S304 PolarHBondContact O-OG 2.56Å; A298-S304 WeakPolarHBondContact O-CB 3.16Å; G300-S304 WeakPolarHBondContact O-CB 3.19Å; G300-S304 PolarHBondContact O-N 3.41Å; G300-S304 VanDerWaalsContact O-N 3.12Å; G300-S304 PolarHBondContact O-OG 2.98Å; T301-S304 PolarHBondContact O-N 3.48Å; T301-S304 PolarHBondContact O-OG 3.03Å; Q302-S304 VanDerWaalsContact C-N 3.27Å; Q302-S304 PolarHBondContact O-N 3.5Å; S304-P306 WeakPolarHBondContact O-CD 3.22Å
305F98.4Very high94.6Very high3 Ų353.9 Ų53.91%0.01330%0.297CS..PPolyproline II helixtrans-64.5121.8-174.8-65.5-6.7000111.4N47 I50 Q51 R54 G260 D263 T301 Q302N47-F305 HydrophobicContact CB-CE2 3.76Å; N47-F305 HydrophobicContact CB-CZ 3.97Å; N47-F305 VanDerWaalsContact O-CE2 3.31Å; N47-F305 WeakPolarHBondContact O-CE2 3.26Å; I50-F305 HydrophobicContact CG2-CD2 4.41Å; Q51-F305 HydrophobicContact CB-CD2 3.94Å; Q51-F305 HydrophobicContact CB-CE2 4.4Å; Q51-F305 HydrophobicContact CB-CG 4.41Å; R54-F305 WeakPolarHBondContact CD-O 3.24Å; R54-F305 PolarHBondContact NH1-O 3.3Å; G260-F305 WeakPolarHBondContact O-CE1 3.5Å; D263-F305 HydrophobicContact CB-CZ 4.3Å; T301-F305 HydrophobicContact CG2-CZ 4.18Å; T301-F305 WeakPolarHBondContact O-CD1 3.42Å; T301-F305 WeakPolarHBondContact O-CE1 3.47Å; Q302-F305 HydrophobicContact CG-CE2 4.15Å; Q302-F305 PolarHBondContact O-N 3.02Å
306P98.2Very high94.5Very high8 Ų857.2 Ų57.25%0.05231%0.312CS..PPolyproline II helixtrans-69149.2-176.128.8-38.1000112.1Q51 V291 V294 S304 L311Q51-P306 PolarHBondContact NE2-O 3.19Å; Q51-P306 VanDerWaalsContact NE2-O 3.15Å; V291-P306 HydrophobicContact CG1-CG 3.85Å; V294-P306 HydrophobicContact CB-CB 4.42Å; V294-P306 HydrophobicContact CB-CG 4.12Å; V294-P306 HydrophobicContact CG1-CB 3.8Å; V294-P306 HydrophobicContact CG1-CG 4.01Å; S304-P306 WeakPolarHBondContact O-CD 3.22Å; P306-L311 HydrophobicContact CB-CD1 4.19Å; P306-L311 HydrophobicContact CB-CD2 4.02Å; P306-L311 HydrophobicContact CB-CG 3.97Å; P306-L311 HydrophobicContact CG-CD1 4.08Å; P306-L311 HydrophobicContact CG-CD2 4.05Å; P306-L311 HydrophobicContact CG-CG 4.25Å
307F98.5Very high94.6Very high63 Ų6359.3 Ų59.328%0.27632%0.322SS..PPolyproline II helixtrans-84.6155.6163.8-63.7-99.7000110.4R54 R309 D310R54-F307 HydrophobicContact CB-CD1 4.04Å; R54-F307 HydrophobicContact CB-CE1 4.45Å; R54-F307 HydrophobicContact CB-CG 4.4Å; R54-F307 HydrophobicContact CG-CD1 3.77Å; R54-F307 HydrophobicContact CG-CE1 3.67Å; R54-F307 HydrophobicContact CG-CG 4.33Å; R54-F307 HydrophobicContact CG-CZ 4.14Å; R54-F307 WeakPolarHBondContact O-CA 3.34Å; F307-R309 HydrophobicContact CB-CG 3.91Å; F307-R309 PolarHBondContact O-N 2.86Å; F307-R309 VanDerWaalsContact O-N 3.11Å; F307-D310 WeakPolarHBondContact CB-OD2 3.49Å; F307-D310 PolarHBondContact O-N 3.13Å
308K98.2Very high94.6Very high96 Ų9657.6 Ų57.642%0.41732%0.317SS..G310 helixtrans-48.7-39.7174.1169.2158.5-174.8169.80113.4R54 L55 D310 L311 F316R54-K308 PolarHBondContact O-N 3.4Å; L55-K308 WeakPolarHBondContact O-CD 3Å; K308-D310 PolarHBondContact O-N 2.96Å; K308-L311 PolarHBondContact O-N 3.12Å; K308-F316 HydrophobicContact CB-CE1 4.26Å; K308-F316 HydrophobicContact CB-CE2 4.41Å; K308-F316 HydrophobicContact CB-CZ 3.87Å; K308-F316 HydrophobicContact CD-CD1 3.91Å; K308-F316 HydrophobicContact CD-CD2 4.38Å; K308-F316 HydrophobicContact CD-CE1 3.79Å; K308-F316 HydrophobicContact CD-CE2 4.29Å; K308-F316 HydrophobicContact CD-CG 4.21Å; K308-F316 HydrophobicContact CD-CZ 4.01Å; K308-F316 HydrophobicContact CG-CD1 4.33Å; K308-F316 HydrophobicContact CG-CD2 4.16Å; K308-F316 HydrophobicContact CG-CE1 3.87Å; K308-F316 HydrophobicContact CG-CE2 3.69Å; K308-F316 HydrophobicContact CG-CG 4.46Å; K308-F316 HydrophobicContact CG-CZ 3.53Å
309R97Very high94.8Very high191 Ų19158.6 Ų58.672%0.72132%0.316SS*.G310 helixtrans-67.4-20.1-179.961.6171.2179.1-116.6-6.4114.2F307F307-R309 HydrophobicContact CB-CG 3.91Å; F307-R309 PolarHBondContact O-N 2.86Å; F307-R309 VanDerWaalsContact O-N 3.11Å
310D95.8Very high95.3Very high97 Ų9756.4 Ų56.452%0.51930%0.3SS..G310 helixtrans-96.62.6-177.8-52.7-42.9000111.3F307 K308F307-D310 WeakPolarHBondContact CB-OD2 3.49Å; F307-D310 PolarHBondContact O-N 3.13Å; K308-D310 PolarHBondContact O-N 2.96Å
311L97.5Very high96.1Very high17 Ų1759.2 Ų59.29%0.08931%0.311CS..SBendtrans-110.9151.6-175.9-74.7172.4000112L55 V291 V294 P306 K308 L315 F316L55-L311 HydrophobicContact CD2-CD1 3.39Å; V291-L311 HydrophobicContact CG1-CD1 4.47Å; V291-L311 HydrophobicContact CG2-CD1 4Å; V294-L311 HydrophobicContact CB-CD2 4.28Å; V294-L311 HydrophobicContact CG1-CD2 4.45Å; V294-L311 HydrophobicContact CG2-CD2 3.84Å; P306-L311 HydrophobicContact CB-CD1 4.19Å; P306-L311 HydrophobicContact CB-CD2 4.02Å; P306-L311 HydrophobicContact CB-CG 3.97Å; P306-L311 HydrophobicContact CG-CD1 4.08Å; P306-L311 HydrophobicContact CG-CD2 4.05Å; P306-L311 HydrophobicContact CG-CG 4.25Å; K308-L311 PolarHBondContact O-N 3.12Å; L311-L315 HydrophobicContact CB-CD1 4.17Å; L311-L315 HydrophobicContact CD1-CD1 4.44Å; L311-L315 HydrophobicContact CD2-CD1 4.06Å; L311-L315 HydrophobicContact CG-CD1 4.45Å; L311-F316 HydrophobicContact CB-CE2 3.94Å; L311-F316 HydrophobicContact CB-CZ 4.12Å; L311-F316 HydrophobicContact CD1-CZ 4Å
312P96.2Very high96.4Very high71 Ų7162 Ų6246%0.46133%0.325SS..  trans-55.7141.3174.1-27.336.8000113.2D314 L315P312-D314 VanDerWaalsContact C-N 3.26Å; P312-D314 WeakPolarHBondContact CB-OD1 3.29Å; P312-D314 PolarHBondContact O-N 3.1Å; P312-L315 HydrophobicContact CB-CG 4.47Å; P312-L315 WeakPolarHBondContact O-CB 3.44Å; P312-L315 PolarHBondContact O-N 2.96Å
313A95.1Very high96.4Very high86 Ų8665.9 Ų65.971%0.71135%0.346SS*.G310 helixtrans-65.7-26.2-174.700000113.8L315 F316A313-L315 PolarHBondContact O-N 3.12Å; A313-F316 PolarHBondContact O-N 3.11Å
314D93.9Very high96.5Very high98 Ų9862.6 Ų62.652%0.52432%0.321SS..G310 helixtrans-69.4-10177.862.8-50.6000113.6R287 P312 F316R287-D314 VanDerWaalsContact CZ-O 3.3Å; R287-D314 PolarHBondContact NH1-O 2.84Å; R287-D314 PolarHBondContact NH2-O 3.01Å; P312-D314 VanDerWaalsContact C-N 3.26Å; P312-D314 WeakPolarHBondContact CB-OD1 3.29Å; P312-D314 PolarHBondContact O-N 3.1Å; D314-F316 VanDerWaalsContact C-N 3.26Å; D314-F316 PolarHBondContact O-N 2.85Å
315L95.4Very high96.6Very high3 Ų367.1 Ų67.12%0.01634%0.343CS..G310 helixtrans-76.6-8.6172-64.2-171.5000113.8Y272 R287 Q290 V291 L311 P312 A313Y272-L315 WeakPolarHBondContact CE1-O 3.49Å; Y272-L315 PolarHBondContact OH-O 3.19Å; R287-L315 HydrophobicContact CB-CD2 4.24Å; R287-L315 HydrophobicContact CG-CD2 4.07Å; R287-L315 PolarHBondContact NH1-O 3.09Å; Q290-L315 HydrophobicContact CB-CD1 4.46Å; Q290-L315 HydrophobicContact CB-CD2 4.23Å; V291-L315 HydrophobicContact CG2-CD1 4.29Å; L311-L315 HydrophobicContact CB-CD1 4.17Å; L311-L315 HydrophobicContact CD1-CD1 4.44Å; L311-L315 HydrophobicContact CD2-CD1 4.06Å; L311-L315 HydrophobicContact CG-CD1 4.45Å; P312-L315 HydrophobicContact CB-CG 4.47Å; P312-L315 WeakPolarHBondContact O-CB 3.44Å; P312-L315 PolarHBondContact O-N 2.96Å; A313-L315 PolarHBondContact O-N 3.12Å
316F94.4Very high96.4Very high72 Ų7272.9 Ų72.932%0.31637%0.373SS..  trans-125.10-176.1-52.9-72.6000112.5L55 F271 H276 K308 L311 A313 D314L55-F316 HydrophobicContact CD2-CE1 4.25Å; L55-F316 HydrophobicContact CD2-CZ 4.18Å; F271-F316 AromaticContact CE1-CD1 3.97Å; F271-F316 HydrophobicContact CE1-CD1 3.97Å; F271-F316 HydrophobicContact CE1-CE1 4.15Å; F271-F316 AromaticContact CZ-CD1 3.66Å; F271-F316 HydrophobicContact CZ-CD1 3.66Å; F271-F316 AromaticContact CZ-CE1 3.95Å; F271-F316 HydrophobicContact CZ-CE1 3.95Å; H276-F316 PolarHBondContact CE1-O 2.67Å; K308-F316 HydrophobicContact CB-CE1 4.26Å; K308-F316 HydrophobicContact CB-CE2 4.41Å; K308-F316 HydrophobicContact CB-CZ 3.87Å; K308-F316 HydrophobicContact CD-CD1 3.91Å; K308-F316 HydrophobicContact CD-CD2 4.38Å; K308-F316 HydrophobicContact CD-CE1 3.79Å; K308-F316 HydrophobicContact CD-CE2 4.29Å; K308-F316 HydrophobicContact CD-CG 4.21Å; K308-F316 HydrophobicContact CD-CZ 4.01Å; K308-F316 HydrophobicContact CG-CD1 4.33Å; K308-F316 HydrophobicContact CG-CD2 4.16Å; K308-F316 HydrophobicContact CG-CE1 3.87Å; K308-F316 HydrophobicContact CG-CE2 3.69Å; K308-F316 HydrophobicContact CG-CG 4.46Å; K308-F316 HydrophobicContact CG-CZ 3.53Å; L311-F316 HydrophobicContact CB-CE2 3.94Å; L311-F316 HydrophobicContact CB-CZ 4.12Å; L311-F316 HydrophobicContact CD1-CZ 4Å; A313-F316 PolarHBondContact O-N 3.11Å; D314-F316 VanDerWaalsContact C-N 3.26Å; D314-F316 PolarHBondContact O-N 2.85Å

Retrieved 316 of 316 residues in 64.8 ms (Link to these results)

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