A0A087XEN8_POEFO Loading...

Methylthioribose-1-phosphate isomerase

Catalyzes the interconversion of methylthioribose-1-phosphate (MTR-1-P) into methylthioribulose-1-phosphate (MTRu-1-P).

AlphaFold DB , UniProt , Accession A0A087XEN8, Species POEFO (Poecilia formosa, Amazon molly), Gene MRI1, Length 353 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
1M61.3Low89.2Confident233 Ų23379.6 Ų79.6100%1.14839%0.394SS*.  01400-85-176.1-105.400107.5
2T76.1Confident89.9Confident44 Ų4477.7 Ų77.727%0.2739%0.394SS..  trans-69.3139.8-179.9-51.60000110.2E212T2-E212 WeakPolarHBondContact CA-OE1 3.43Å; T2-E212 WeakPolarHBondContact CG2-OE1 3.45Å
3L87.1Confident90.5Very high25 Ų2571.9 Ų71.913%0.13137%0.365CS..  trans-62.5136.5175.6-177.672.1000110.5L16 S165 L166 Y207 E208 E212L3-L16 HydrophobicContact CD2-CD2 4.35Å; L3-S165 WeakPolarHBondContact O-CB 3.28Å; L3-S165 PolarHBondContact O-OG 3.32Å; L3-L166 HydrophobicContact CD2-CD1 4.1Å; L3-L166 HydrophobicContact CD2-CD2 3.59Å; L3-L166 HydrophobicContact CD2-CG 3.94Å; L3-L166 HydrophobicContact CG-CD2 4.37Å; L3-Y207 HydrophobicContact CD1-CE1 4.33Å; L3-Y207 HydrophobicContact CD2-CD1 3.82Å; L3-Y207 HydrophobicContact CD2-CE1 3.51Å; L3-E208 HydrophobicContact CD2-CG 4.06Å; L3-E212 PolarHBondContact N-OE1 3.36Å
4E92.6Very high91.1Very high105 Ų10570.9 Ų70.949%0.49136%0.358SS..  trans-105.3116.6179.8-64.8173.7155.300110.6R7 Y27E4-R7 HydrophobicContact CB-CG 4.26Å; E4-R7 IonicContact OE2-NE 3.93Å; E4-Y27 VanDerWaalsContact O-CE1 3.32Å; E4-Y27 WeakPolarHBondContact O-CE1 3.2Å; E4-Y27 PolarHBondContact O-OH 3.27Å
5A95.2Very high91.6Very high5 Ų566.2 Ų66.24%0.04133%0.334CS..SBendtrans-81-27.6172.200000112.7I15 L16 S165 L166A5-I15 CarbonylContact O-C 3.49Å; A5-I15 WeakPolarHBondContact O-CA 3.33Å; A5-L16 PolarHBondContact O-N 3.41Å; A5-S165 WeakPolarHBondContact CB-O 3.37Å; A5-L166 HydrophobicContact CB-CD2 3.93Å
6I97.3Very high91.9Very high13 Ų1362.2 Ų62.27%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-120.8120.1-179.4-53.5178.5000106.9L13 A50 I53 V54 L57I6-L13 HydrophobicContact CG2-CD1 3.76Å; I6-A50 HydrophobicContact CD1-CB 4.2Å; I6-I53 HydrophobicContact CD1-CB 4.12Å; I6-I53 HydrophobicContact CD1-CG2 3.76Å; I6-V54 HydrophobicContact CD1-CG2 3.67Å; I6-V54 HydrophobicContact CG1-CG2 3.87Å; I6-V54 HydrophobicContact CG2-CG2 4.5Å; I6-L57 HydrophobicContact CG2-CD1 3.86Å
7R96.9Very high92.1Very high98 Ų9859.1 Ų59.137%0.3730%0.299SS..EExtended strand (participates in β ladder)trans-111.9108.9171.4-73.2179.8174.6164.94.8108.1E4 Q14 Y27E4-R7 HydrophobicContact CB-CG 4.26Å; E4-R7 IonicContact OE2-NE 3.93Å; R7-Q14 HydrophobicContact CB-CB 4.21Å; R7-Q14 PolarHBondContact N-O 2.96Å; R7-Q14 PolarHBondContact O-N 3.23Å; R7-Y27 HydrophobicContact CG-CD1 4.36Å; R7-Y27 HydrophobicContact CG-CE1 3.94Å; R7-Y27 PolarHBondContact NH2-OH 3.29Å
8Y97.4Very high92.3Very high37 Ų3755.9 Ų55.915%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-117.2136.8178179.9-98.8000110.5L13 L57 V61 E125 L128Y8-L13 HydrophobicContact CD2-CB 4.29Å; Y8-L13 HydrophobicContact CD2-CD1 4.25Å; Y8-L57 HydrophobicContact CD1-CD2 3.95Å; Y8-L57 HydrophobicContact CD2-CB 4.16Å; Y8-L57 HydrophobicContact CD2-CD1 4.25Å; Y8-L57 HydrophobicContact CD2-CD2 3.66Å; Y8-L57 HydrophobicContact CD2-CG 4.25Å; Y8-L57 HydrophobicContact CE1-CD2 4.07Å; Y8-L57 HydrophobicContact CE2-CB 4.38Å; Y8-L57 HydrophobicContact CE2-CD2 3.75Å; Y8-L57 HydrophobicContact CG-CD1 4.19Å; Y8-L57 HydrophobicContact CG-CD2 3.74Å; Y8-L57 HydrophobicContact CG-CG 4.49Å; Y8-V61 HydrophobicContact CE2-CG2 4.24Å; Y8-E125 HydrophobicContact CE1-CG 3.64Å; Y8-E125 WeakPolarHBondContact CE1-OE1 3.25Å; Y8-E125 PolarHBondContact OH-OE1 2.76Å; Y8-L128 HydrophobicContact CD1-CD2 4.15Å; Y8-L128 HydrophobicContact CG-CD2 4.36Å
9R94.9Very high92.2Very high206 Ų20657.2 Ų57.278%0.77729%0.29SS*.EExtended strand (participates in β ladder)trans-134.9156.1160.3-63.1-176.7-178.3-167-0.8106.4G11 S12R9-G11 PolarHBondContact O-N 3.13Å; R9-S12 PolarHBondContact N-O 3.29Å; R9-S12 CarbonylContact O-C 3.54Å; R9-S12 PolarHBondContact O-N 2.98Å
10S92Very high92.2Very high71 Ų7157.3 Ų57.350%0.49729%0.291SS..THydrogen-bonded Turntrans-43111.9174.1-176.20000111.7R64S10-R64 WeakPolarHBondContact OG-CD 3.17Å; S10-R64 PolarHBondContact OG-NE 3.23Å; S10-R64 VanDerWaalsContact OG-NE 3.1Å; S10-R64 PolarHBondContact OG-NH1 3.42Å; S10-R64 PolarHBondContact OG-NH2 2.95Å
11G90.7Very high92.3Very high39 Ų3954.7 Ų54.740%0.40228%0.278SS..THydrogen-bonded Turntrans81.15.518000000116.7R9R9-G11 PolarHBondContact O-N 3.13Å
12S97.1Very high93.9Very high56 Ų5645.9 Ų45.939%0.39224%0.238SC..EExtended strand (participates in β ladder)trans-142.9118-179.3176.70000111.3R9R9-S12 PolarHBondContact N-O 3.29Å; R9-S12 CarbonylContact O-C 3.54Å; R9-S12 PolarHBondContact O-N 2.98Å
13L98.5Very high94.7Very high3 Ų351.8 Ų51.82%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-118129.2175.4176.762000110.1I6 Y8 I30 V54 L57 V61I6-L13 HydrophobicContact CG2-CD1 3.76Å; Y8-L13 HydrophobicContact CD2-CB 4.29Å; Y8-L13 HydrophobicContact CD2-CD1 4.25Å; L13-I30 HydrophobicContact CB-CB 4.35Å; L13-I30 HydrophobicContact CD2-CB 3.85Å; L13-I30 HydrophobicContact CD2-CG2 3.87Å; L13-I30 HydrophobicContact CG-CB 3.97Å; L13-I30 PolarHBondContact O-N 3.23Å; L13-V54 HydrophobicContact CD2-CG1 4.4Å; L13-L57 HydrophobicContact CD1-CB 4.14Å; L13-L57 HydrophobicContact CD1-CD1 4.07Å; L13-L57 HydrophobicContact CD2-CB 3.85Å; L13-V61 HydrophobicContact CB-CG2 3.85Å
14Q98.3Very high95.1Very high57 Ų5756 Ų5627%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-125.6143.1168.8-46.5-176.3-63.900110.1R7 Y27 E28 D29R7-Q14 HydrophobicContact CB-CB 4.21Å; R7-Q14 PolarHBondContact N-O 2.96Å; R7-Q14 PolarHBondContact O-N 3.23Å; Q14-Y27 HydrophobicContact CB-CD1 4.45Å; Q14-E28 CarbonylContact C-O 3.53Å; Q14-E28 WeakPolarHBondContact CA-O 3.12Å; Q14-D29 WeakPolarHBondContact CG-OD1 3.49Å; Q14-D29 PolarHBondContact NE2-OD1 2.85Å
15I98.1Very high95.2Very high1 Ų154.2 Ų54.21%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-117.8146.517561.5165.8000110.2A5 Y27 E28 I30 A39 K44 V45 V54A5-I15 CarbonylContact O-C 3.49Å; A5-I15 WeakPolarHBondContact O-CA 3.33Å; I15-Y27 CarbonylContact O-C 3.57Å; I15-Y27 VanDerWaalsContact O-CA 3.25Å; I15-Y27 WeakPolarHBondContact O-CA 3.35Å; I15-E28 HydrophobicContact CG1-CB 4.33Å; I15-E28 PolarHBondContact N-O 3.38Å; I15-E28 PolarHBondContact O-N 3.13Å; I15-I30 HydrophobicContact CB-CG1 4.44Å; I15-I30 HydrophobicContact CD1-CD1 3.74Å; I15-I30 HydrophobicContact CD1-CG1 4.02Å; I15-I30 HydrophobicContact CG1-CD1 3.94Å; I15-I30 HydrophobicContact CG1-CG1 3.8Å; I15-I30 HydrophobicContact CG2-CG1 3.9Å; I15-A39 HydrophobicContact CD1-CB 3.5Å; I15-K44 HydrophobicContact CD1-CB 4.25Å; I15-V45 HydrophobicContact CB-CG2 4.12Å; I15-V45 HydrophobicContact CD1-CG2 3.42Å; I15-V45 VanDerWaalsContact CD1-CG2 3.42Å; I15-V45 HydrophobicContact CG1-CG2 4.37Å; I15-V45 HydrophobicContact CG2-CG2 4.04Å; I15-V54 HydrophobicContact CG2-CG1 3.97Å; I15-V54 HydrophobicContact CG2-CG2 3.71Å
16L97.1Very high95.3Very high2 Ų256.6 Ų56.61%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-77.7123.5169.5-176.467.1000109.5L3 A5 Q18 L21 T25 Y27 L166L3-L16 HydrophobicContact CD2-CD2 4.35Å; A5-L16 PolarHBondContact O-N 3.41Å; L16-Q18 PolarHBondContact O-N 3.28Å; L16-L21 HydrophobicContact CD2-CD1 3.88Å; L16-L21 HydrophobicContact CD2-CD2 4.43Å; L16-L21 HydrophobicContact CG-CD1 4.44Å; L16-T25 HydrophobicContact CD1-CG2 3.58Å; L16-Y27 HydrophobicContact CB-CD1 4.21Å; L16-Y27 HydrophobicContact CB-CE1 3.86Å; L16-Y27 HydrophobicContact CD1-CD2 4.14Å; L16-Y27 HydrophobicContact CD1-CE1 4.23Å; L16-Y27 HydrophobicContact CD1-CE2 3.84Å; L16-Y27 HydrophobicContact CD1-CG 4.47Å; L16-L166 HydrophobicContact CD2-CD2 3.57Å
17N95.8Very high95.3Very high9 Ų958.1 Ų58.15%0.04830%0.297CS..  trans-72.8100177.7-178.4-15.3000110.8L19 L20 V26 E28N17-L19 PolarHBondContact O-N 3.39Å; N17-L19 VanDerWaalsContact OD1-CB 3.25Å; N17-L19 WeakPolarHBondContact OD1-CB 3.16Å; N17-L19 PolarHBondContact OD1-N 3.3Å; N17-L20 HydrophobicContact CB-CD1 4.27Å; N17-L20 HydrophobicContact CB-CG 4.44Å; N17-L20 PolarHBondContact O-N 2.95Å; N17-V26 PolarHBondContact N-O 2.73Å; N17-E28 HydrophobicContact CB-CG 4.34Å; N17-E28 PolarHBondContact ND2-OE1 3.06Å
18Q94.3Very high95.3Very high3 Ų355.8 Ų55.81%0.01429%0.29CS..THydrogen-bonded Turntrans-71-10.8-178-63.4-173.626.900114.7L16 L20 L21 K44 L166 R203L16-Q18 PolarHBondContact O-N 3.28Å; Q18-L20 VanDerWaalsContact C-N 3.28Å; Q18-L21 HydrophobicContact CG-CD1 4.35Å; Q18-K44 WeakPolarHBondContact CB-O 3.36Å; Q18-K44 VanDerWaalsContact CG-O 3.29Å; Q18-K44 WeakPolarHBondContact CG-O 3.25Å; Q18-K44 PolarHBondContact N-O 3.48Å; Q18-K44 VanDerWaalsContact N-O 3.14Å; Q18-L166 PolarHBondContact NE2-O 3.36Å; Q18-R203 PolarHBondContact O-NH2 3.04Å
19L90.9Very high95.4Very high79 Ų7957.6 Ų57.641%0.41430%0.302SS..THydrogen-bonded Turntrans-71.6-28.5175.1-57.3177.7000111.5N17 K44 R203N17-L19 PolarHBondContact O-N 3.39Å; N17-L19 VanDerWaalsContact OD1-CB 3.25Å; N17-L19 WeakPolarHBondContact OD1-CB 3.16Å; N17-L19 PolarHBondContact OD1-N 3.3Å; L19-K44 HydrophobicContact CD1-CG 3.86Å; L19-K44 HydrophobicContact CG-CG 4.18Å; L19-R203 PolarHBondContact O-NH2 3.5Å
20L92.5Very high95.5Very high60 Ų6048.2 Ų48.231%0.31427%0.267SS..THydrogen-bonded Turntrans-87.5-16.3-177.7-57.4179.3000113.2N17 Q18 H23 Q24 V26N17-L20 HydrophobicContact CB-CD1 4.27Å; N17-L20 HydrophobicContact CB-CG 4.44Å; N17-L20 PolarHBondContact O-N 2.95Å; Q18-L20 VanDerWaalsContact C-N 3.28Å; L20-H23 PolarHBondContact O-N 3.18Å; L20-Q24 CarbonylContact C-O 3.41Å; L20-Q24 HydrophobicContact CB-CB 4.18Å; L20-Q24 PolarHBondContact O-N 3.4Å; L20-V26 HydrophobicContact CD1-CB 3.86Å; L20-V26 HydrophobicContact CD1-CG1 4.49Å; L20-V26 HydrophobicContact CD1-CG2 3.79Å
21L94.4Very high95.7Very high2 Ų253.8 Ų53.81%0.0128%0.277CS..THydrogen-bonded Turntrans-66.7148.1173.2-66.5178000111.2L16 Q18 L166 R203 L204 Y207L16-L21 HydrophobicContact CD2-CD1 3.88Å; L16-L21 HydrophobicContact CD2-CD2 4.43Å; L16-L21 HydrophobicContact CG-CD1 4.44Å; Q18-L21 HydrophobicContact CG-CD1 4.35Å; L21-L166 HydrophobicContact CD1-CD1 3.73Å; L21-L166 HydrophobicContact CD1-CD2 4.23Å; L21-R203 VanDerWaalsContact O-CZ 3.31Å; L21-R203 PolarHBondContact O-NE 2.91Å; L21-R203 PolarHBondContact O-NH2 2.93Å; L21-L204 HydrophobicContact CB-CD2 3.9Å; L21-L204 HydrophobicContact CD1-CD2 3.77Å; L21-Y207 HydrophobicContact CD2-CD1 4.2Å; L21-Y207 HydrophobicContact CD2-CD2 4.38Å; L21-Y207 HydrophobicContact CD2-CE1 3.83Å; L21-Y207 HydrophobicContact CD2-CE2 4.03Å; L21-Y207 HydrophobicContact CD2-CG 4.47Å
22P94.6Very high96Very high49 Ų4953.8 Ų53.832%0.31827%0.271SS..THydrogen-bonded Turncis-86.64.1-134.8-35.6000114.1Y207P22-Y207 HydrophobicContact CB-CD2 3.73Å; P22-Y207 HydrophobicContact CB-CG 4.38Å
23H93.7Very high96.1Very high167 Ų16751.5 Ų51.577%0.77326%0.255SS*.THydrogen-bonded Turntrans-80.2-33-169-57.5-63.2000113.7L20L20-H23 PolarHBondContact O-N 3.18Å
24Q94Very high96.1Very high113 Ų11355.4 Ų55.453%0.52827%0.273SS..  trans-139.1141.5178.6-56.5-179.6-3.500111.4L20 V26L20-Q24 CarbonylContact C-O 3.41Å; L20-Q24 HydrophobicContact CB-CB 4.18Å; L20-Q24 PolarHBondContact O-N 3.4Å; Q24-V26 HydrophobicContact CB-CG2 4.07Å
25T95.3Very high96Very high69 Ų6953.7 Ų53.742%0.42327%0.27SS..  trans-106.190.3177.1-48.90000108.8L16 Y27 Y207L16-T25 HydrophobicContact CD1-CG2 3.58Å; T25-Y27 HydrophobicContact CG2-CE2 4.16Å; T25-Y207 PolarHBondContact OG1-OH 3.2Å
26V96.9Very high96Very high54 Ų5453.6 Ų53.633%0.32727%0.27SS..  trans-117.8126.7-176-177.90000109.9N17 L20 Q24N17-V26 PolarHBondContact N-O 2.73Å; L20-V26 HydrophobicContact CD1-CB 3.86Å; L20-V26 HydrophobicContact CD1-CG1 4.49Å; L20-V26 HydrophobicContact CD1-CG2 3.79Å; Q24-V26 HydrophobicContact CB-CG2 4.07Å
27Y97.6Very high96Very high46 Ų4654.9 Ų54.918%0.1828%0.275CS..EExtended strand (participates in β ladder)trans-95.1138.8172.6-71.2-92.9000110.2E4 R7 Q14 I15 L16 T25E4-Y27 VanDerWaalsContact O-CE1 3.32Å; E4-Y27 WeakPolarHBondContact O-CE1 3.2Å; E4-Y27 PolarHBondContact O-OH 3.27Å; R7-Y27 HydrophobicContact CG-CD1 4.36Å; R7-Y27 HydrophobicContact CG-CE1 3.94Å; R7-Y27 PolarHBondContact NH2-OH 3.29Å; Q14-Y27 HydrophobicContact CB-CD1 4.45Å; I15-Y27 CarbonylContact O-C 3.57Å; I15-Y27 VanDerWaalsContact O-CA 3.25Å; I15-Y27 WeakPolarHBondContact O-CA 3.35Å; L16-Y27 HydrophobicContact CB-CD1 4.21Å; L16-Y27 HydrophobicContact CB-CE1 3.86Å; L16-Y27 HydrophobicContact CD1-CD2 4.14Å; L16-Y27 HydrophobicContact CD1-CE1 4.23Å; L16-Y27 HydrophobicContact CD1-CE2 3.84Å; L16-Y27 HydrophobicContact CD1-CG 4.47Å; T25-Y27 HydrophobicContact CG2-CE2 4.16Å
28E97.9Very high96.1Very high49 Ų4959.6 Ų59.623%0.22930%0.297CS..EExtended strand (participates in β ladder)trans-117.7135.5177.7-63.3-177.3-17200110Q14 I15 N17 K44Q14-E28 CarbonylContact C-O 3.53Å; Q14-E28 WeakPolarHBondContact CA-O 3.12Å; I15-E28 HydrophobicContact CG1-CB 4.33Å; I15-E28 PolarHBondContact N-O 3.38Å; I15-E28 PolarHBondContact O-N 3.13Å; N17-E28 HydrophobicContact CB-CG 4.34Å; N17-E28 PolarHBondContact ND2-OE1 3.06Å; E28-K44 VanDerWaalsContact CD-NZ 3.35Å; E28-K44 IonicContact OE1-NZ 2.87Å; E28-K44 PolarHBondContact OE1-NZ 3.14Å; E28-K44 WeakPolarHBondContact OE2-CD 3.47Å; E28-K44 WeakPolarHBondContact OE2-CE 3.37Å; E28-K44 IonicContact OE2-NZ 3.43Å; E28-K44 PolarHBondContact OE2-NZ 3.17Å
29D98.1Very high96.2Very high75 Ų7559.6 Ų59.640%0.40130%0.297SS..EExtended strand (participates in β ladder)trans-71.8131174-65.7-20.5000110.4Q14 R31Q14-D29 WeakPolarHBondContact CG-OD1 3.49Å; Q14-D29 PolarHBondContact NE2-OD1 2.85Å; D29-R31 HydrophobicContact CB-CG 4.25Å; D29-R31 IonicContact OD2-CZ 3.23Å; D29-R31 IonicContact OD2-NE 3.73Å; D29-R31 IonicContact OD2-NH2 3.79Å; D29-R31 PolarHBondContact OD2-NH2 2.92Å
30I98.1Very high96.4Very high8 Ų855.9 Ų55.94%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-107.6107170.6-58.1-59.5000107.8L13 I15 A36 A39L13-I30 HydrophobicContact CB-CB 4.35Å; L13-I30 HydrophobicContact CD2-CB 3.85Å; L13-I30 HydrophobicContact CD2-CG2 3.87Å; L13-I30 HydrophobicContact CG-CB 3.97Å; L13-I30 PolarHBondContact O-N 3.23Å; I15-I30 HydrophobicContact CB-CG1 4.44Å; I15-I30 HydrophobicContact CD1-CD1 3.74Å; I15-I30 HydrophobicContact CD1-CG1 4.02Å; I15-I30 HydrophobicContact CG1-CD1 3.94Å; I15-I30 HydrophobicContact CG1-CG1 3.8Å; I15-I30 HydrophobicContact CG2-CG1 3.9Å; I30-A36 HydrophobicContact CG2-CB 3.84Å; I30-A39 HydrophobicContact CD1-CB 4.07Å
31R95.7Very high96.3Very high188 Ų18858.9 Ų58.971%0.70929%0.288SS*.  trans-103.5-4.7-173.6-59.7-177.5-176.7166.13113.7D29D29-R31 HydrophobicContact CB-CG 4.25Å; D29-R31 IonicContact OD2-CZ 3.23Å; D29-R31 IonicContact OD2-NE 3.73Å; D29-R31 IonicContact OD2-NH2 3.79Å; D29-R31 PolarHBondContact OD2-NH2 2.92Å
32S97.6Very high96.1Very high39 Ų3961.4 Ų61.427%0.27331%0.306SS..SBendtrans-155.9160.3-176.961.70000112.1Q34 G35 A36 E62S32-Q34 PolarHBondContact O-N 3.2Å; S32-G35 PolarHBondContact O-N 3.03Å; S32-G35 VanDerWaalsContact O-N 3.11Å; S32-G35 PolarHBondContact OG-N 2.93Å; S32-A36 PolarHBondContact O-N 3.06Å; S32-E62 WeakPolarHBondContact CA-OE1 3.35Å; S32-E62 WeakPolarHBondContact CB-OE1 3.47Å
33V98.2Very high95.9Very high8 Ų860.4 Ų60.45%0.04830%0.298CS..Hα-helixtrans-55.3-41.3168.7172.40000110.6A36 Y37 S58 L59 E62 L83V33-A36 PolarHBondContact O-N 3.39Å; V33-Y37 WeakPolarHBondContact O-CB 3.08Å; V33-Y37 PolarHBondContact O-N 2.91Å; V33-S58 WeakPolarHBondContact CA-OG 3.49Å; V33-L59 HydrophobicContact CG2-CB 4.12Å; V33-L59 HydrophobicContact CG2-CD1 4.39Å; V33-E62 PolarHBondContact N-OE1 3.35Å; V33-L83 HydrophobicContact CG1-CD1 3.98Å; V33-L83 HydrophobicContact CG1-CD2 3.99Å; V33-L83 HydrophobicContact CG1-CG 3.73Å
34Q98.1Very high95.9Very high86 Ų8655 Ų5540%0.40227%0.272SS..Hα-helixtrans-62.3-42.9174.6-178.260.735.500111.8S32 A36 Y37 E38 H82S32-Q34 PolarHBondContact O-N 3.2Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; Q34-A36 PolarHBondContact O-N 2.84Å; Q34-Y37 WeakPolarHBondContact O-CB 3.32Å; Q34-Y37 PolarHBondContact O-N 2.6Å; Q34-E38 PolarHBondContact NE2-OE1 3.3Å; Q34-E38 WeakPolarHBondContact O-CG 3.35Å; Q34-E38 PolarHBondContact O-N 3.46Å; Q34-H82 PolarHBondContact OE1-NE2 3.02Å; Q34-H82 VanDerWaalsContact OE1-NE2 3.15Å
35G97.9Very high95.9Very high20 Ų2049.8 Ų49.821%0.20625%0.248CC..Hα-helixtrans-63.3-39.7176.500000112.4S32 A39S32-G35 PolarHBondContact O-N 3.03Å; S32-G35 VanDerWaalsContact O-N 3.11Å; S32-G35 PolarHBondContact OG-N 2.93Å; G35-A39 WeakPolarHBondContact O-CB 3.22Å; G35-A39 PolarHBondContact O-N 2.83Å
36A98Very high95.6Very high0 Ų047.9 Ų47.90%023%0.233CC..Hα-helixtrans-64.8-45.4173.500000111.9I30 S32 V33 Q34 E38 A39 I40 V54 S58 L83I30-A36 HydrophobicContact CG2-CB 3.84Å; S32-A36 PolarHBondContact O-N 3.06Å; V33-A36 PolarHBondContact O-N 3.39Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; Q34-A36 PolarHBondContact O-N 2.84Å; A36-E38 VanDerWaalsContact C-N 3.33Å; A36-E38 PolarHBondContact O-N 2.81Å; A36-A39 PolarHBondContact O-N 3.38Å; A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.46Å; A36-I40 VanDerWaalsContact O-CG1 3.22Å; A36-I40 WeakPolarHBondContact O-CG1 3.44Å; A36-I40 PolarHBondContact O-N 3.35Å; A36-V54 HydrophobicContact CB-CG1 4.13Å; A36-S58 VanDerWaalsContact CB-CB 3.46Å; A36-S58 VanDerWaalsContact CB-OG 3.24Å; A36-S58 WeakPolarHBondContact CB-OG 3.45Å; A36-L83 HydrophobicContact CB-CD2 4.18Å
37Y97.3Very high95.1Very high28 Ų2846.4 Ų46.411%0.1123%0.229CC..Hα-helixtrans-53.9-50176.4177.1-86.3000111.3V33 Q34 I40 K41 H82 S85 A86V33-Y37 WeakPolarHBondContact O-CB 3.08Å; V33-Y37 PolarHBondContact O-N 2.91Å; Q34-Y37 WeakPolarHBondContact O-CB 3.32Å; Q34-Y37 PolarHBondContact O-N 2.6Å; Y37-I40 PolarHBondContact O-N 2.59Å; Y37-K41 HydrophobicContact CD1-CD 4.49Å; Y37-K41 HydrophobicContact CE1-CD 3.59Å; Y37-K41 VanDerWaalsContact O-CB 3.23Å; Y37-K41 WeakPolarHBondContact O-CB 3.49Å; Y37-K41 PolarHBondContact O-N 3.45Å; Y37-K41 PolarHBondContact OH-NZ 3.32Å; Y37-K41 VanDerWaalsContact OH-NZ 3.15Å; Y37-H82 AromaticContact CD1-NE2 3.73Å; Y37-H82 AromaticContact CD2-CD2 3.68Å; Y37-H82 AromaticContact CD2-CE1 3.71Å; Y37-H82 AromaticContact CD2-NE2 3.32Å; Y37-H82 VanDerWaalsContact CD2-NE2 3.32Å; Y37-H82 WeakPolarHBondContact CD2-NE2 3.33Å; Y37-H82 WeakPolarHBondContact CD2-O 3.33Å; Y37-H82 AromaticContact CE2-CE1 3.79Å; Y37-H82 AromaticContact CE2-NE2 3.89Å; Y37-H82 WeakPolarHBondContact CE2-O 3.39Å; Y37-H82 AromaticContact CG-CD2 3.89Å; Y37-H82 AromaticContact CG-CE1 3.93Å; Y37-H82 AromaticContact CG-NE2 3.25Å; Y37-S85 WeakPolarHBondContact CE2-OG 3.49Å; Y37-A86 HydrophobicContact CD2-CB 3.52Å; Y37-A86 HydrophobicContact CE2-CB 3.65Å; Y37-A86 HydrophobicContact CG-CB 4.23Å
38E97Very high94.5Very high108 Ų10844.8 Ų44.851%0.50523%0.225SC..Hα-helixtrans-62.3-45.5178.7-73.1172.5-16700111.9Q34 A36 I40 K41 S42Q34-E38 PolarHBondContact NE2-OE1 3.3Å; Q34-E38 WeakPolarHBondContact O-CG 3.35Å; Q34-E38 PolarHBondContact O-N 3.46Å; A36-E38 VanDerWaalsContact C-N 3.33Å; A36-E38 PolarHBondContact O-N 2.81Å; E38-I40 PolarHBondContact O-N 2.91Å; E38-K41 PolarHBondContact O-N 3.34Å; E38-S42 WeakPolarHBondContact O-CB 3.5Å; E38-S42 PolarHBondContact O-N 3.49Å; E38-S42 PolarHBondContact O-OG 3.36Å; E38-S42 VanDerWaalsContact O-OG 3.13Å
39A96.6Very high94.2Very high4 Ų443.2 Ų43.23%0.03322%0.219CC..Hα-helixtrans-63.8-38.5178.800000113.2I15 I30 G35 A36 M43 K44 V45I15-A39 HydrophobicContact CD1-CB 3.5Å; I30-A39 HydrophobicContact CD1-CB 4.07Å; G35-A39 WeakPolarHBondContact O-CB 3.22Å; G35-A39 PolarHBondContact O-N 2.83Å; A36-A39 PolarHBondContact O-N 3.38Å; A39-M43 PolarHBondContact O-N 3.48Å; A39-K44 HydrophobicContact CB-CB 4.23Å; A39-K44 HydrophobicContact CB-CD 4.33Å; A39-K44 WeakPolarHBondContact O-CB 3.36Å; A39-K44 PolarHBondContact O-N 3.02Å; A39-V45 HydrophobicContact CB-CG2 4.45Å; A39-V45 PolarHBondContact O-N 2.89Å
40I94.8Very high94Very high1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-67.1-49.3175.3-70.5161.9000109.7A36 Y37 E38 S42 M43 V45 I51 A86 R87A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.46Å; A36-I40 VanDerWaalsContact O-CG1 3.22Å; A36-I40 WeakPolarHBondContact O-CG1 3.44Å; A36-I40 PolarHBondContact O-N 3.35Å; Y37-I40 PolarHBondContact O-N 2.59Å; E38-I40 PolarHBondContact O-N 2.91Å; I40-S42 PolarHBondContact O-N 2.91Å; I40-M43 PolarHBondContact O-N 3.37Å; I40-V45 HydrophobicContact CG1-CB 4.43Å; I40-I51 HydrophobicContact CD1-CG2 4.08Å; I40-I51 HydrophobicContact CG1-CG2 4.19Å; I40-I51 HydrophobicContact CG2-CD1 4.44Å; I40-I51 HydrophobicContact CG2-CG1 4.2Å; I40-I51 HydrophobicContact CG2-CG2 3.67Å; I40-A86 HydrophobicContact CB-CB 4.16Å; I40-A86 HydrophobicContact CG2-CB 3.68Å; I40-R87 HydrophobicContact CG2-CB 4.36Å; I40-R87 HydrophobicContact CG2-CG 3.95Å; I40-R87 VanDerWaalsContact O-CD 3.27Å; I40-R87 WeakPolarHBondContact O-CD 3.43Å
41K91.2Very high93.8Very high123 Ų12339.6 Ų39.654%0.53520%0.2SC..Hα-helixtrans-64.3-40.3-177.7-172.4171.3-172.9170.60112.4Y37 E38 M43Y37-K41 HydrophobicContact CD1-CD 4.49Å; Y37-K41 HydrophobicContact CE1-CD 3.59Å; Y37-K41 VanDerWaalsContact O-CB 3.23Å; Y37-K41 WeakPolarHBondContact O-CB 3.49Å; Y37-K41 PolarHBondContact O-N 3.45Å; Y37-K41 PolarHBondContact OH-NZ 3.32Å; Y37-K41 VanDerWaalsContact OH-NZ 3.15Å; E38-K41 PolarHBondContact O-N 3.34Å; K41-M43 PolarHBondContact O-N 2.74Å
42S90.3Very high93.7Very high54 Ų5430.7 Ų30.738%0.37817%0.166SC..THydrogen-bonded Turntrans-79.14.3175.679.20000113.3E38 I40 K44E38-S42 WeakPolarHBondContact O-CB 3.5Å; E38-S42 PolarHBondContact O-N 3.49Å; E38-S42 PolarHBondContact O-OG 3.36Å; E38-S42 VanDerWaalsContact O-OG 3.13Å; I40-S42 PolarHBondContact O-N 2.91Å; S42-K44 VanDerWaalsContact C-N 3.27Å; S42-K44 PolarHBondContact O-N 3.43Å; S42-K44 WeakPolarHBondContact OG-CG 3.29Å
43M89.5Confident93.7Very high29 Ų2929 Ų2914%0.14315%0.154CC..THydrogen-bonded Turntrans58.729.7-179.9-48.1179.678.700115.1A39 I40 K41 R46 Y198A39-M43 PolarHBondContact O-N 3.48Å; I40-M43 PolarHBondContact O-N 3.37Å; K41-M43 PolarHBondContact O-N 2.74Å; M43-R46 HydrophobicContact CB-CG 4.25Å; M43-R46 PolarHBondContact O-NE 3.25Å; M43-R46 PolarHBondContact SD-NH2 2.8Å; M43-Y198 HydrophobicContact CE-CE1 4.37Å; M43-Y198 HydrophobicContact SD-CE1 4.49Å
44K94.1Very high93.7Very high52 Ų5228.6 Ų28.623%0.22615%0.152CC..SBendtrans-67.1-32.8165.1-70.3177.5-179.6-174.80110.6I15 Q18 L19 E28 A39 S42I15-K44 HydrophobicContact CD1-CB 4.25Å; Q18-K44 WeakPolarHBondContact CB-O 3.36Å; Q18-K44 VanDerWaalsContact CG-O 3.29Å; Q18-K44 WeakPolarHBondContact CG-O 3.25Å; Q18-K44 PolarHBondContact N-O 3.48Å; Q18-K44 VanDerWaalsContact N-O 3.14Å; L19-K44 HydrophobicContact CD1-CG 3.86Å; L19-K44 HydrophobicContact CG-CG 4.18Å; E28-K44 VanDerWaalsContact CD-NZ 3.35Å; E28-K44 IonicContact OE1-NZ 2.87Å; E28-K44 PolarHBondContact OE1-NZ 3.14Å; E28-K44 WeakPolarHBondContact OE2-CD 3.47Å; E28-K44 WeakPolarHBondContact OE2-CE 3.37Å; E28-K44 IonicContact OE2-NZ 3.43Å; E28-K44 PolarHBondContact OE2-NZ 3.17Å; A39-K44 HydrophobicContact CB-CB 4.23Å; A39-K44 HydrophobicContact CB-CD 4.33Å; A39-K44 WeakPolarHBondContact O-CB 3.36Å; A39-K44 PolarHBondContact O-N 3.02Å; S42-K44 VanDerWaalsContact C-N 3.27Å; S42-K44 PolarHBondContact O-N 3.43Å; S42-K44 WeakPolarHBondContact OG-CG 3.29Å
45V93.5Very high93.7Very high4 Ų424.5 Ų24.52%0.02413%0.132CC..SBendtrans-107.1134.2169.1-174.20000109.3I15 A39 I40 A50 I51 V54I15-V45 HydrophobicContact CB-CG2 4.12Å; I15-V45 HydrophobicContact CD1-CG2 3.42Å; I15-V45 VanDerWaalsContact CD1-CG2 3.42Å; I15-V45 HydrophobicContact CG1-CG2 4.37Å; I15-V45 HydrophobicContact CG2-CG2 4.04Å; A39-V45 HydrophobicContact CB-CG2 4.45Å; A39-V45 PolarHBondContact O-N 2.89Å; I40-V45 HydrophobicContact CG1-CB 4.43Å; V45-A50 HydrophobicContact CG1-CB 4.12Å; V45-I51 HydrophobicContact CG1-CG1 4.25Å; V45-V54 HydrophobicContact CG1-CB 4.39Å; V45-V54 HydrophobicContact CG1-CG2 3.91Å; V45-V54 HydrophobicContact CG2-CG1 4.26Å; V45-V54 HydrophobicContact CG2-CG2 4.14Å
46R88.4Confident93.6Very high29 Ų2923.5 Ų23.511%0.10912%0.123CC..  trans-138.2161.4179.2-55.4-179.4175.6-137.3-5.6110.3M43 A50M43-R46 HydrophobicContact CB-CG 4.25Å; M43-R46 PolarHBondContact O-NE 3.25Å; M43-R46 PolarHBondContact SD-NH2 2.8Å; R46-A50 WeakPolarHBondContact O-CB 3.19Å
47G87.8Confident93.7Very high24 Ų2423.6 Ų23.625%0.24712%0.123CC..SBendtrans91127.2-172.100000110.8A50 I51 A167G47-A50 PolarHBondContact O-N 3.33Å; G47-I51 VanDerWaalsContact O-CG1 3.31Å; G47-I51 WeakPolarHBondContact O-CG1 3.31Å; G47-I51 PolarHBondContact O-N 3.38Å; G47-A167 WeakPolarHBondContact CA-O 3.47Å
48A84.9Confident93.7Very high12 Ų1222.2 Ų22.210%0.09912%0.118CC..Hα-helixtrans-59.5-41.5-173.400000113A52 A90 N92A48-A52 PolarHBondContact O-N 2.99Å; A48-A90 HydrophobicContact CB-CB 4.38Å; A48-N92 HydrophobicContact CB-CB 4.23Å; A48-N92 VanDerWaalsContact CB-OD1 3.24Å; A48-N92 WeakPolarHBondContact CB-OD1 3.35Å; A48-N92 WeakPolarHBondContact O-CB 3.33Å
49P90.8Very high93.8Very high16 Ų1617.1 Ų17.110%0.1049%0.094CC..Hα-helixtrans-63.5-47.1173.8-21.633.6000112.8I51 A52 I53 T168P49-I51 VanDerWaalsContact C-N 3.32Å; P49-I51 PolarHBondContact O-N 2.91Å; P49-A52 PolarHBondContact O-N 3.36Å; P49-I53 VanDerWaalsContact O-CG1 3.31Å; P49-I53 WeakPolarHBondContact O-CG1 3.46Å; P49-I53 PolarHBondContact O-N 3.49Å; P49-T168 HydrophobicContact CG-CG2 4.33Å
50A94.4Very high93.8Very high1 Ų116.9 Ų16.91%0.0089%0.092CC..Hα-helixtrans-61.8-37.7-179.900000112.9I6 V45 R46 G47 I53 V54I6-A50 HydrophobicContact CD1-CB 4.2Å; V45-A50 HydrophobicContact CG1-CB 4.12Å; R46-A50 WeakPolarHBondContact O-CB 3.19Å; G47-A50 PolarHBondContact O-N 3.33Å; A50-I53 PolarHBondContact O-N 3.4Å; A50-V54 WeakPolarHBondContact O-CB 3.18Å; A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 3.17Å
51I93.9Very high94Very high5 Ų517.5 Ų17.53%0.02610%0.096CC..Hα-helixtrans-59.8-47.9175.1-73167.7000110.8I40 V45 G47 P49 I53 G55 A90 M93I40-I51 HydrophobicContact CD1-CG2 4.08Å; I40-I51 HydrophobicContact CG1-CG2 4.19Å; I40-I51 HydrophobicContact CG2-CD1 4.44Å; I40-I51 HydrophobicContact CG2-CG1 4.2Å; I40-I51 HydrophobicContact CG2-CG2 3.67Å; V45-I51 HydrophobicContact CG1-CG1 4.25Å; G47-I51 VanDerWaalsContact O-CG1 3.31Å; G47-I51 WeakPolarHBondContact O-CG1 3.31Å; G47-I51 PolarHBondContact O-N 3.38Å; P49-I51 VanDerWaalsContact C-N 3.32Å; P49-I51 PolarHBondContact O-N 2.91Å; I51-I53 PolarHBondContact O-N 2.97Å; I51-G55 PolarHBondContact O-N 3.05Å; I51-A90 HydrophobicContact CD1-CB 4.48Å; I51-M93 HydrophobicContact CG2-CB 4.46Å
52A94.5Very high94.3Very high1 Ų113.7 Ų13.71%0.0088%0.08CC..Hα-helixtrans-62.6-44.3179.700000111.6A48 P49 G55 C56 N92 M93 A96 M127A48-A52 PolarHBondContact O-N 2.99Å; P49-A52 PolarHBondContact O-N 3.36Å; A52-G55 PolarHBondContact O-N 2.93Å; A52-C56 PolarHBondContact O-N 3.39Å; A52-C56 PolarHBondContact O-SG 3.23Å; A52-C56 VanDerWaalsContact O-SG 3.39Å; A52-N92 HydrophobicContact CB-CB 4.05Å; A52-M93 HydrophobicContact CB-CB 4.47Å; A52-M93 HydrophobicContact CB-SD 4.45Å; A52-A96 HydrophobicContact CB-CB 4.25Å; A52-M127 HydrophobicContact CB-CE 3.87Å
53I96.8Very high94.6Very high3 Ų311.2 Ų11.22%0.0156%0.063CC..Hα-helixtrans-67.3-45-177.9-67.5172000111.3I6 P49 A50 I51 G55 C56 L57 M127 L128 D131 A169I6-I53 HydrophobicContact CD1-CB 4.12Å; I6-I53 HydrophobicContact CD1-CG2 3.76Å; P49-I53 VanDerWaalsContact O-CG1 3.31Å; P49-I53 WeakPolarHBondContact O-CG1 3.46Å; P49-I53 PolarHBondContact O-N 3.49Å; A50-I53 PolarHBondContact O-N 3.4Å; I51-I53 PolarHBondContact O-N 2.97Å; I53-G55 VanDerWaalsContact C-N 3.34Å; I53-G55 PolarHBondContact O-N 3.4Å; I53-C56 PolarHBondContact O-N 3.02Å; I53-L57 HydrophobicContact CG2-CD1 3.49Å; I53-L57 VanDerWaalsContact CG2-CD1 3.49Å; I53-L57 HydrophobicContact CG2-CG 4.18Å; I53-L57 VanDerWaalsContact O-CB 3.27Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 WeakPolarHBondContact O-CD1 3.43Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 2.82Å; I53-M127 HydrophobicContact CG1-CE 3.78Å; I53-L128 HydrophobicContact CG2-CB 4.39Å; I53-L128 HydrophobicContact CG2-CD1 3.67Å; I53-D131 HydrophobicContact CD1-CB 3.53Å; I53-A169 HydrophobicContact CD1-CB 3.54Å
54V97.9Very high94.9Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-61.8-42.71751700000111.4I6 L13 I15 A36 V45 A50 S58I6-V54 HydrophobicContact CD1-CG2 3.67Å; I6-V54 HydrophobicContact CG1-CG2 3.87Å; I6-V54 HydrophobicContact CG2-CG2 4.5Å; L13-V54 HydrophobicContact CD2-CG1 4.4Å; I15-V54 HydrophobicContact CG2-CG1 3.97Å; I15-V54 HydrophobicContact CG2-CG2 3.71Å; A36-V54 HydrophobicContact CB-CG1 4.13Å; V45-V54 HydrophobicContact CG1-CB 4.39Å; V45-V54 HydrophobicContact CG1-CG2 3.91Å; V45-V54 HydrophobicContact CG2-CG1 4.26Å; V45-V54 HydrophobicContact CG2-CG2 4.14Å; A50-V54 WeakPolarHBondContact O-CB 3.18Å; A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 3.17Å; V54-S58 WeakPolarHBondContact O-CB 3.27Å; V54-S58 PolarHBondContact O-N 3.07Å
55G97.3Very high94.9Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-57.7-55.7176.800000111.6I51 A52 I53 L57 S58 L59 L83I51-G55 PolarHBondContact O-N 3.05Å; A52-G55 PolarHBondContact O-N 2.93Å; I53-G55 VanDerWaalsContact C-N 3.34Å; I53-G55 PolarHBondContact O-N 3.4Å; G55-L57 PolarHBondContact O-N 3.32Å; G55-S58 PolarHBondContact O-N 3.46Å; G55-S58 PolarHBondContact O-OG 3.34Å; G55-L59 PolarHBondContact O-N 3.04Å; G55-L83 WeakPolarHBondContact O-CD1 3.26Å
56C97.8Very high94.9Very high0 Ų018.2 Ų18.20%012%0.117CC..Hα-helixtrans-62.7-43.8179.1-66.10000112.4A52 I53 S58 L59 A60 I124 M127A52-C56 PolarHBondContact O-N 3.39Å; A52-C56 PolarHBondContact O-SG 3.23Å; A52-C56 VanDerWaalsContact O-SG 3.39Å; I53-C56 PolarHBondContact O-N 3.02Å; C56-S58 VanDerWaalsContact C-N 3.27Å; C56-S58 PolarHBondContact O-N 3.2Å; C56-L59 WeakPolarHBondContact O-CB 3.43Å; C56-L59 PolarHBondContact O-N 2.89Å; C56-L59 VanDerWaalsContact O-N 3.09Å; C56-A60 PolarHBondContact O-N 3.2Å; C56-I124 HydrophobicContact CB-CG1 4.2Å; C56-I124 HydrophobicContact CB-CG2 3.8Å; C56-M127 HydrophobicContact CB-SD 4.25Å
57L98.4Very high95.2Very high1 Ų118 Ų181%0.00512%0.121CC..Hα-helixtrans-63.9-32.3179-70.5169.1000112.5I6 Y8 L13 I53 G55 L59 A60 V61 I124 L128I6-L57 HydrophobicContact CG2-CD1 3.86Å; Y8-L57 HydrophobicContact CD1-CD2 3.95Å; Y8-L57 HydrophobicContact CD2-CB 4.16Å; Y8-L57 HydrophobicContact CD2-CD1 4.25Å; Y8-L57 HydrophobicContact CD2-CD2 3.66Å; Y8-L57 HydrophobicContact CD2-CG 4.25Å; Y8-L57 HydrophobicContact CE1-CD2 4.07Å; Y8-L57 HydrophobicContact CE2-CB 4.38Å; Y8-L57 HydrophobicContact CE2-CD2 3.75Å; Y8-L57 HydrophobicContact CG-CD1 4.19Å; Y8-L57 HydrophobicContact CG-CD2 3.74Å; Y8-L57 HydrophobicContact CG-CG 4.49Å; L13-L57 HydrophobicContact CD1-CB 4.14Å; L13-L57 HydrophobicContact CD1-CD1 4.07Å; L13-L57 HydrophobicContact CD2-CB 3.85Å; I53-L57 HydrophobicContact CG2-CD1 3.49Å; I53-L57 VanDerWaalsContact CG2-CD1 3.49Å; I53-L57 HydrophobicContact CG2-CG 4.18Å; I53-L57 VanDerWaalsContact O-CB 3.27Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 WeakPolarHBondContact O-CD1 3.43Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 2.82Å; G55-L57 PolarHBondContact O-N 3.32Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.45Å; L57-V61 WeakPolarHBondContact O-CG2 3.4Å; L57-V61 PolarHBondContact O-N 3.21Å; L57-I124 HydrophobicContact CD2-CG2 3.74Å; L57-I124 HydrophobicContact CG-CG2 4.15Å; L57-L128 HydrophobicContact CD1-CD1 4.38Å; L57-L128 HydrophobicContact CD1-CD2 4.24Å
58S98.4Very high95.3Very high0 Ų017.9 Ų17.90%012%0.121CC..Hα-helixtrans-66-35.3174.475.20000112.6V33 A36 V54 G55 C56 V61 E62V33-S58 WeakPolarHBondContact CA-OG 3.49Å; A36-S58 VanDerWaalsContact CB-CB 3.46Å; A36-S58 VanDerWaalsContact CB-OG 3.24Å; A36-S58 WeakPolarHBondContact CB-OG 3.45Å; V54-S58 WeakPolarHBondContact O-CB 3.27Å; V54-S58 PolarHBondContact O-N 3.07Å; G55-S58 PolarHBondContact O-N 3.46Å; G55-S58 PolarHBondContact O-OG 3.34Å; C56-S58 VanDerWaalsContact C-N 3.27Å; C56-S58 PolarHBondContact O-N 3.2Å; S58-V61 PolarHBondContact O-N 3.02Å; S58-E62 PolarHBondContact O-N 3.45Å
59L98.1Very high95.6Very high0 Ų019 Ų190%013%0.134CC..Hα-helixtrans-65.3-43.2171.1173.361.9000110.7V33 G55 C56 L57 V61 E62 L63 F75 I76 L80 L100 I124V33-L59 HydrophobicContact CG2-CB 4.12Å; V33-L59 HydrophobicContact CG2-CD1 4.39Å; G55-L59 PolarHBondContact O-N 3.04Å; C56-L59 WeakPolarHBondContact O-CB 3.43Å; C56-L59 PolarHBondContact O-N 2.89Å; C56-L59 VanDerWaalsContact O-N 3.09Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L59-V61 VanDerWaalsContact C-N 3.29Å; L59-V61 PolarHBondContact O-N 3.49Å; L59-E62 PolarHBondContact O-N 3.41Å; L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 3.95Å; L59-L63 HydrophobicContact CG-CD1 3.92Å; L59-L63 HydrophobicContact CG-CG 4.25Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 3.13Å; L59-F75 HydrophobicContact CD1-CD1 4.13Å; L59-F75 HydrophobicContact CD1-CE1 3.59Å; L59-F75 HydrophobicContact CD1-CZ 4.41Å; L59-I76 HydrophobicContact CD1-CG1 4.46Å; L59-I76 HydrophobicContact CD2-CG1 4.35Å; L59-I76 HydrophobicContact CD2-CG2 4.17Å; L59-L80 HydrophobicContact CD2-CD2 4.02Å; L59-L80 HydrophobicContact CD2-CG 4.16Å; L59-L100 HydrophobicContact CD2-CD2 4.19Å; L59-I124 HydrophobicContact CD2-CD1 4.48Å
60A98.1Very high95.5Very high0 Ų025.6 Ų25.60%017%0.168CC..Hα-helixtrans-59.8-38.2175.300000112.8C56 L57 R64 I121 I124C56-A60 PolarHBondContact O-N 3.2Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.45Å; A60-R64 VanDerWaalsContact O-CB 3.3Å; A60-R64 WeakPolarHBondContact O-CB 3.25Å; A60-R64 PolarHBondContact O-N 3.02Å; A60-I121 HydrophobicContact CB-CG1 4.27Å; A60-I121 HydrophobicContact CB-CG2 4.21Å; A60-I124 HydrophobicContact CB-CB 4.27Å; A60-I124 HydrophobicContact CB-CD1 3.92Å; A60-I124 HydrophobicContact CB-CG2 3.96Å
61V98.1Very high95.5Very high14 Ų1429.6 Ų29.69%0.08519%0.189CC..Hα-helixtrans-60.6-46.5173.9169.10000111.2Y8 L13 L57 S58 L59 R64 A65Y8-V61 HydrophobicContact CE2-CG2 4.24Å; L13-V61 HydrophobicContact CB-CG2 3.85Å; L57-V61 WeakPolarHBondContact O-CG2 3.4Å; L57-V61 PolarHBondContact O-N 3.21Å; S58-V61 PolarHBondContact O-N 3.02Å; L59-V61 VanDerWaalsContact C-N 3.29Å; L59-V61 PolarHBondContact O-N 3.49Å; V61-R64 PolarHBondContact O-N 3.06Å; V61-A65 PolarHBondContact O-N 3.19Å; V61-A65 VanDerWaalsContact O-N 3.15Å
62E97.8Very high95.5Very high42 Ų4229.5 Ų29.520%0.19619%0.189CC..Hα-helixtrans-68.6-43.2179.1-73.8-157.3-140.200113S32 V33 S58 L59 R64 A65 G66 A67 F75S32-E62 WeakPolarHBondContact CA-OE1 3.35Å; S32-E62 WeakPolarHBondContact CB-OE1 3.47Å; V33-E62 PolarHBondContact N-OE1 3.35Å; S58-E62 PolarHBondContact O-N 3.45Å; L59-E62 PolarHBondContact O-N 3.41Å; E62-R64 VanDerWaalsContact C-N 3.26Å; E62-R64 PolarHBondContact O-N 3.36Å; E62-A65 CarbonylContact O-C 3.16Å; E62-A65 WeakPolarHBondContact O-CA 3.32Å; E62-A65 WeakPolarHBondContact O-CB 3.22Å; E62-A65 PolarHBondContact O-N 3.18Å; E62-G66 PolarHBondContact O-N 3.27Å; E62-A67 HydrophobicContact CB-CB 3.85Å; E62-A67 WeakPolarHBondContact O-CB 3.44Å; E62-A67 PolarHBondContact O-N 3.34Å; E62-F75 HydrophobicContact CB-CE1 4.33Å; E62-F75 HydrophobicContact CB-CZ 4.06Å; E62-F75 WeakPolarHBondContact OE2-CZ 3.46Å
63L96.8Very high95.6Very high3 Ų330.4 Ų30.42%0.01619%0.194CC..Hα-helixtrans-59.4-40.6176.9-68.7173.5000111.1L59 A65 G66 F75 I76 R117 V120 I121L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 3.95Å; L59-L63 HydrophobicContact CG-CD1 3.92Å; L59-L63 HydrophobicContact CG-CG 4.25Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 3.13Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.46Å; L63-G66 PolarHBondContact O-N 2.92Å; L63-F75 HydrophobicContact CD2-CD1 3.74Å; L63-F75 HydrophobicContact CD2-CE1 3.86Å; L63-F75 HydrophobicContact CG-CE1 4.42Å; L63-I76 HydrophobicContact CD1-CD1 4.4Å; L63-I76 HydrophobicContact CD1-CG1 4.23Å; L63-I76 HydrophobicContact CD2-CG1 4.15Å; L63-R117 HydrophobicContact CB-CG 4.43Å; L63-R117 HydrophobicContact CD2-CG 4.14Å; L63-V120 HydrophobicContact CD1-CB 4.22Å; L63-V120 HydrophobicContact CD1-CG1 3.5Å; L63-I121 HydrophobicContact CB-CD1 3.97Å; L63-I121 HydrophobicContact CB-CG1 3.98Å; L63-I121 HydrophobicContact CD1-CG1 4.37Å
64R95.4Very high95.6Very high101 Ų10132.5 Ų32.538%0.38121%0.207SC..Hα-helixtrans-68.5-27.1177.1-163.2170.5-69-99.515.2112.8S10 A60 V61 E62 G66 I121 E125S10-R64 WeakPolarHBondContact OG-CD 3.17Å; S10-R64 PolarHBondContact OG-NE 3.23Å; S10-R64 VanDerWaalsContact OG-NE 3.1Å; S10-R64 PolarHBondContact OG-NH1 3.42Å; S10-R64 PolarHBondContact OG-NH2 2.95Å; A60-R64 VanDerWaalsContact O-CB 3.3Å; A60-R64 WeakPolarHBondContact O-CB 3.25Å; A60-R64 PolarHBondContact O-N 3.02Å; V61-R64 PolarHBondContact O-N 3.06Å; E62-R64 VanDerWaalsContact C-N 3.26Å; E62-R64 PolarHBondContact O-N 3.36Å; R64-G66 PolarHBondContact O-N 3.43Å; R64-I121 HydrophobicContact CB-CD1 3.94Å; R64-I121 HydrophobicContact CG-CD1 4.49Å; R64-E125 IonicContact CZ-OE1 2.66Å; R64-E125 IonicContact NH2-OE1 3.33Å; R64-E125 PolarHBondContact NH2-OE1 2.86Å; R64-E125 IonicContact NH2-OE2 2.63Å
65A94.8Very high95.6Very high89 Ų8934.4 Ų34.474%0.73622%0.216SC*.THydrogen-bonded Turntrans-78.51.317100000113.4V61 E62 L63V61-A65 PolarHBondContact O-N 3.19Å; V61-A65 VanDerWaalsContact O-N 3.15Å; E62-A65 CarbonylContact O-C 3.16Å; E62-A65 WeakPolarHBondContact O-CA 3.32Å; E62-A65 WeakPolarHBondContact O-CB 3.22Å; E62-A65 PolarHBondContact O-N 3.18Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.46Å
66G93.1Very high95.6Very high41 Ų4134.4 Ų34.442%0.42322%0.216SC..THydrogen-bonded Turntrans90.510.9178.300000114.7E62 L63 R64 R117E62-G66 PolarHBondContact O-N 3.27Å; L63-G66 PolarHBondContact O-N 2.92Å; R64-G66 PolarHBondContact O-N 3.43Å; G66-R117 PolarHBondContact O-NH1 2.86Å; G66-R117 VanDerWaalsContact O-NH1 3.13Å
67A93.1Very high95.6Very high24 Ų2439.2 Ų39.220%0.19823%0.234CC..THydrogen-bonded Turntrans-59.2157.8174.100000111.8E62 G69 F75 R117E62-A67 HydrophobicContact CB-CB 3.85Å; E62-A67 WeakPolarHBondContact O-CB 3.44Å; E62-A67 PolarHBondContact O-N 3.34Å; A67-G69 VanDerWaalsContact C-N 3.26Å; A67-G69 PolarHBondContact O-N 2.93Å; A67-F75 HydrophobicContact CB-CD1 4.36Å; A67-F75 HydrophobicContact CB-CE1 3.66Å; A67-F75 HydrophobicContact CB-CE2 4.06Å; A67-F75 HydrophobicContact CB-CZ 3.49Å; A67-F75 VanDerWaalsContact CB-CZ 3.49Å; A67-R117 PolarHBondContact O-NH1 2.91Å
68G90.3Very high95.5Very high23 Ų2345.3 Ų45.324%0.23726%0.262CS..THydrogen-bonded Turntrans82.4-14.1-174.500000115.6D70 D71G68-D70 PolarHBondContact O-N 2.91Å; G68-D71 CarbonylContact O-C 3.48Å; G68-D71 PolarHBondContact O-N 3.45Å
69G91.7Very high95.5Very high36 Ų3645.8 Ų45.837%0.37127%0.266SS..THydrogen-bonded Turntrans53.9-124.3173.700000112.8A67 R117A67-G69 VanDerWaalsContact C-N 3.26Å; A67-G69 PolarHBondContact O-N 2.93Å; G69-R117 PolarHBondContact O-NH1 2.98Å; G69-R117 PolarHBondContact O-NH2 3.23Å
70D89.4Confident95.4Very high154 Ų15446 Ų4682%0.82427%0.267SS*.THydrogen-bonded Turntrans-86.5-16.6178.8-64.1-33.9000113.6G68 P72 S113G68-D70 PolarHBondContact O-N 2.91Å; D70-P72 VanDerWaalsContact O-CD 3.28Å; D70-P72 WeakPolarHBondContact O-CD 3.35Å; D70-S113 PolarHBondContact O-OG 2.75Å
71D93.3Very high95.3Very high85 Ų8550.2 Ų50.246%0.45530%0.295SS..  trans-120.869.8177.7-1756.7000111.6G68 V73 T74 F75G68-D71 CarbonylContact O-C 3.48Å; G68-D71 PolarHBondContact O-N 3.45Å; D71-V73 PolarHBondContact O-N 3.48Å; D71-V73 PolarHBondContact OD1-N 3.1Å; D71-T74 VanDerWaalsContact CG-OG1 3.29Å; D71-T74 PolarHBondContact OD1-N 3.23Å; D71-T74 VanDerWaalsContact OD1-N 3.16Å; D71-T74 PolarHBondContact OD1-OG1 3.44Å; D71-T74 WeakPolarHBondContact OD2-CB 3.5Å; D71-T74 PolarHBondContact OD2-OG1 2.76Å; D71-F75 PolarHBondContact O-N 3.17Å
72P94.3Very high95.2Very high3 Ų352.6 Ų52.62%0.01931%0.305CS..Hα-helixtrans-63.4-25.9178.227.2-36.8000113D70 F75 I76 L116 R117D70-P72 VanDerWaalsContact O-CD 3.28Å; D70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-F75 PolarHBondContact O-N 3.35Å; P72-I76 WeakPolarHBondContact O-CB 3.48Å; P72-I76 VanDerWaalsContact O-CD1 3.32Å; P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.42Å; P72-I76 PolarHBondContact O-N 3.31Å; P72-L116 HydrophobicContact CB-CD2 4.47Å; P72-L116 HydrophobicContact CG-CD2 3.69Å; P72-L116 HydrophobicContact CG-CG 4.35Å; P72-R117 HydrophobicContact CB-CG 4.16Å
73V96.3Very high95.1Very high20 Ų2050.7 Ų50.712%0.12130%0.296CS..Hα-helixtrans-65.3-47.8-178.21790000110.6D71 F75 I76 R77 M101 E105 L116D71-V73 PolarHBondContact O-N 3.48Å; D71-V73 PolarHBondContact OD1-N 3.1Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 2.82Å; V73-I76 PolarHBondContact O-N 3.28Å; V73-R77 WeakPolarHBondContact O-CB 2.9Å; V73-R77 PolarHBondContact O-N 2.79Å; V73-M101 HydrophobicContact CG1-CE 3.66Å; V73-E105 HydrophobicContact CG1-CG 4.29Å; V73-L116 HydrophobicContact CG2-CD2 3.58Å
74T96.6Very high94.9Very high47 Ų4752.6 Ų52.629%0.28831%0.308SS..Hα-helixtrans-62.5-43.4177.2-63.50000111.3D71 I76 R77 E78D71-T74 VanDerWaalsContact CG-OG1 3.29Å; D71-T74 PolarHBondContact OD1-N 3.23Å; D71-T74 VanDerWaalsContact OD1-N 3.16Å; D71-T74 PolarHBondContact OD1-OG1 3.44Å; D71-T74 WeakPolarHBondContact OD2-CB 3.5Å; D71-T74 PolarHBondContact OD2-OG1 2.76Å; T74-I76 PolarHBondContact O-N 3.41Å; T74-R77 WeakPolarHBondContact O-CB 3.28Å; T74-R77 PolarHBondContact O-N 2.92Å; T74-E78 HydrophobicContact CG2-CG 4.45Å; T74-E78 WeakPolarHBondContact O-CG 3.23Å; T74-E78 PolarHBondContact O-N 3.12Å
75F97.6Very high94.7Very high40 Ų4050.4 Ų50.418%0.17531%0.308CS..Hα-helixtrans-61-43.2177175.5-100000113.1L59 E62 L63 A67 D71 P72 V73 S79L59-F75 HydrophobicContact CD1-CD1 4.13Å; L59-F75 HydrophobicContact CD1-CE1 3.59Å; L59-F75 HydrophobicContact CD1-CZ 4.41Å; E62-F75 HydrophobicContact CB-CE1 4.33Å; E62-F75 HydrophobicContact CB-CZ 4.06Å; E62-F75 WeakPolarHBondContact OE2-CZ 3.46Å; L63-F75 HydrophobicContact CD2-CD1 3.74Å; L63-F75 HydrophobicContact CD2-CE1 3.86Å; L63-F75 HydrophobicContact CG-CE1 4.42Å; A67-F75 HydrophobicContact CB-CD1 4.36Å; A67-F75 HydrophobicContact CB-CE1 3.66Å; A67-F75 HydrophobicContact CB-CE2 4.06Å; A67-F75 HydrophobicContact CB-CZ 3.49Å; A67-F75 VanDerWaalsContact CB-CZ 3.49Å; D71-F75 PolarHBondContact O-N 3.17Å; P72-F75 PolarHBondContact O-N 3.35Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 2.82Å; F75-S79 VanDerWaalsContact O-CB 3.29Å; F75-S79 WeakPolarHBondContact O-CB 3.49Å; F75-S79 PolarHBondContact O-N 3.26Å; F75-S79 PolarHBondContact O-OG 2.83Å
76I97.9Very high94.4Very high0 Ų046.6 Ų46.60%028%0.277CS..Hα-helixtrans-60-48.3174.7-71.5161000110.1L59 L63 P72 V73 T74 E78 S79 L80 M101 A104 V120L59-I76 HydrophobicContact CD1-CG1 4.46Å; L59-I76 HydrophobicContact CD2-CG1 4.35Å; L59-I76 HydrophobicContact CD2-CG2 4.17Å; L63-I76 HydrophobicContact CD1-CD1 4.4Å; L63-I76 HydrophobicContact CD1-CG1 4.23Å; L63-I76 HydrophobicContact CD2-CG1 4.15Å; P72-I76 WeakPolarHBondContact O-CB 3.48Å; P72-I76 VanDerWaalsContact O-CD1 3.32Å; P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.42Å; P72-I76 PolarHBondContact O-N 3.31Å; V73-I76 PolarHBondContact O-N 3.28Å; T74-I76 PolarHBondContact O-N 3.41Å; I76-E78 PolarHBondContact O-N 2.78Å; I76-S79 PolarHBondContact O-N 3.5Å; I76-L80 HydrophobicContact CG2-CD1 3.64Å; I76-L80 HydrophobicContact CG2-CG 4.29Å; I76-L80 WeakPolarHBondContact O-CB 3.41Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 3.1Å; I76-M101 HydrophobicContact CG2-SD 4.25Å; I76-A104 HydrophobicContact CD1-CB 4.12Å; I76-A104 HydrophobicContact CG2-CB 4.35Å; I76-V120 HydrophobicContact CD1-CB 4.37Å; I76-V120 HydrophobicContact CD1-CG1 3.98Å; I76-V120 HydrophobicContact CD1-CG2 3.87Å
77R97.4Very high93.9Very high100 Ų10046.7 Ų46.738%0.37726%0.264SS..Hα-helixtrans-58.6-48.9-179.1-170-178.9-64108.6-1.3112.3V73 T74 L80 C81 M101 E105V73-R77 WeakPolarHBondContact O-CB 2.9Å; V73-R77 PolarHBondContact O-N 2.79Å; T74-R77 WeakPolarHBondContact O-CB 3.28Å; T74-R77 PolarHBondContact O-N 2.92Å; R77-L80 PolarHBondContact O-N 2.72Å; R77-C81 WeakPolarHBondContact O-CB 3.46Å; R77-C81 PolarHBondContact O-N 3.11Å; R77-M101 VanDerWaalsContact CA-SD 3.52Å; R77-M101 HydrophobicContact CB-CE 4.08Å; R77-M101 HydrophobicContact CB-SD 3.51Å; R77-M101 VanDerWaalsContact CB-SD 3.51Å; R77-M101 HydrophobicContact CG-SD 3.79Å; R77-E105 IonicContact CZ-OE1 2.91Å; R77-E105 IonicContact NE-OE1 3.21Å; R77-E105 IonicContact NH2-OE1 2.6Å; R77-E105 PolarHBondContact NH2-OE1 3.26Å
78E97.4Very high93.1Very high130 Ų13050.7 Ų50.761%0.60729%0.288SS*.Hα-helixtrans-64.3-42.8179.8-70.9-179.7168.900111.6T74 I76 L80 C81 H82T74-E78 HydrophobicContact CG2-CG 4.45Å; T74-E78 WeakPolarHBondContact O-CG 3.23Å; T74-E78 PolarHBondContact O-N 3.12Å; I76-E78 PolarHBondContact O-N 2.78Å; E78-L80 PolarHBondContact O-N 3.43Å; E78-C81 PolarHBondContact O-N 2.73Å; E78-H82 WeakPolarHBondContact O-CB 3.32Å; E78-H82 PolarHBondContact O-N 2.73Å
79S97.9Very high92Very high10 Ų1052.7 Ų52.77%0.0730%0.296CS..Hα-helixtrans-61-46177.4-64.10000112.1F75 I76 H82 L83F75-S79 VanDerWaalsContact O-CB 3.29Å; F75-S79 WeakPolarHBondContact O-CB 3.49Å; F75-S79 PolarHBondContact O-N 3.26Å; F75-S79 PolarHBondContact O-OG 2.83Å; I76-S79 PolarHBondContact O-N 3.5Å; S79-H82 PolarHBondContact O-N 3.3Å; S79-L83 WeakPolarHBondContact O-CB 3.47Å; S79-L83 VanDerWaalsContact O-CG 3.29Å; S79-L83 WeakPolarHBondContact O-CG 3.38Å; S79-L83 PolarHBondContact O-N 2.83Å
80L96.6Very high91Very high5 Ų551.5 Ų51.53%0.02628%0.283CS..Hα-helixtrans-68.2-40.4179.2-67.3175.3000112L59 I76 R77 E78 H82 L83 T84 M93 A97 L100 M101L59-L80 HydrophobicContact CD2-CD2 4.02Å; L59-L80 HydrophobicContact CD2-CG 4.16Å; I76-L80 HydrophobicContact CG2-CD1 3.64Å; I76-L80 HydrophobicContact CG2-CG 4.29Å; I76-L80 WeakPolarHBondContact O-CB 3.41Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 3.1Å; R77-L80 PolarHBondContact O-N 2.72Å; E78-L80 PolarHBondContact O-N 3.43Å; L80-H82 VanDerWaalsContact C-N 3.31Å; L80-H82 PolarHBondContact O-N 3.42Å; L80-L83 HydrophobicContact CD2-CD1 4.48Å; L80-L83 PolarHBondContact O-N 2.82Å; L80-T84 VanDerWaalsContact O-CG2 3.3Å; L80-T84 WeakPolarHBondContact O-CG2 3.35Å; L80-T84 PolarHBondContact O-N 3.04Å; L80-T84 PolarHBondContact O-OG1 2.63Å; L80-T84 VanDerWaalsContact O-OG1 3.12Å; L80-M93 HydrophobicContact CD2-CE 4.19Å; L80-A97 HydrophobicContact CB-CB 3.98Å; L80-A97 HydrophobicContact CD2-CB 4.25Å; L80-A97 HydrophobicContact CG-CB 4.48Å; L80-L100 HydrophobicContact CD1-CB 4.18Å; L80-L100 HydrophobicContact CD1-CD2 4.14Å; L80-L100 HydrophobicContact CD1-CG 4.1Å; L80-L100 HydrophobicContact CD2-CD2 4.07Å; L80-M101 HydrophobicContact CD1-CB 4.35Å
81C94.9Very high90.5Very high87 Ų8746.5 Ų46.559%0.58826%0.257SS*.Hα-helixtrans-58.8-44.4172.3-173.80000111.2R77 E78 T84 S85R77-C81 WeakPolarHBondContact O-CB 3.46Å; R77-C81 PolarHBondContact O-N 3.11Å; E78-C81 PolarHBondContact O-N 2.73Å; C81-T84 PolarHBondContact O-OG1 2.77Å; C81-S85 PolarHBondContact O-N 2.96Å
82H96.1Very high90.2Very high64 Ų6443 Ų4330%0.29624%0.239SC..Hα-helixtrans-62.9-48.9176.8-173.862.5000112.1Q34 Y37 E78 S79 L80 T84 S85Q34-H82 PolarHBondContact OE1-NE2 3.02Å; Q34-H82 VanDerWaalsContact OE1-NE2 3.15Å; Y37-H82 AromaticContact CD1-NE2 3.73Å; Y37-H82 AromaticContact CD2-CD2 3.68Å; Y37-H82 AromaticContact CD2-CE1 3.71Å; Y37-H82 AromaticContact CD2-NE2 3.32Å; Y37-H82 VanDerWaalsContact CD2-NE2 3.32Å; Y37-H82 WeakPolarHBondContact CD2-NE2 3.33Å; Y37-H82 WeakPolarHBondContact CD2-O 3.33Å; Y37-H82 AromaticContact CE2-CE1 3.79Å; Y37-H82 AromaticContact CE2-NE2 3.89Å; Y37-H82 WeakPolarHBondContact CE2-O 3.39Å; Y37-H82 AromaticContact CG-CD2 3.89Å; Y37-H82 AromaticContact CG-CE1 3.93Å; Y37-H82 AromaticContact CG-NE2 3.25Å; E78-H82 WeakPolarHBondContact O-CB 3.32Å; E78-H82 PolarHBondContact O-N 2.73Å; S79-H82 PolarHBondContact O-N 3.3Å; L80-H82 VanDerWaalsContact C-N 3.31Å; L80-H82 PolarHBondContact O-N 3.42Å; H82-T84 PolarHBondContact O-N 3.32Å; H82-S85 WeakPolarHBondContact O-CB 3.18Å; H82-S85 PolarHBondContact O-N 3.01Å; H82-S85 VanDerWaalsContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 3.46Å
83L95.5Very high90Very high2 Ų243 Ų431%0.0124%0.239CC..Hα-helixtrans-61.9-39.7-179.1-74.2165.9000113.3V33 A36 G55 S79 L80 S85 A86 M93V33-L83 HydrophobicContact CG1-CD1 3.98Å; V33-L83 HydrophobicContact CG1-CD2 3.99Å; V33-L83 HydrophobicContact CG1-CG 3.73Å; A36-L83 HydrophobicContact CB-CD2 4.18Å; G55-L83 WeakPolarHBondContact O-CD1 3.26Å; S79-L83 WeakPolarHBondContact O-CB 3.47Å; S79-L83 VanDerWaalsContact O-CG 3.29Å; S79-L83 WeakPolarHBondContact O-CG 3.38Å; S79-L83 PolarHBondContact O-N 2.83Å; L80-L83 HydrophobicContact CD2-CD1 4.48Å; L80-L83 PolarHBondContact O-N 2.82Å; L83-S85 PolarHBondContact O-N 3.32Å; L83-A86 VanDerWaalsContact O-CB 3.22Å; L83-A86 WeakPolarHBondContact O-CB 3.23Å; L83-A86 PolarHBondContact O-N 3.34Å; L83-M93 HydrophobicContact CB-CE 3.53Å; L83-M93 HydrophobicContact CB-SD 4.2Å; L83-M93 HydrophobicContact CD1-CE 4.01Å; L83-M93 HydrophobicContact CG-CE 4.38Å
84T93Very high89.7Confident43 Ų4343.5 Ų43.526%0.26425%0.248SC..Hα-helixtrans-62.6-27.4177530000112.8L80 C81 H82 A86 M93 A97L80-T84 VanDerWaalsContact O-CG2 3.3Å; L80-T84 WeakPolarHBondContact O-CG2 3.35Å; L80-T84 PolarHBondContact O-N 3.04Å; L80-T84 PolarHBondContact O-OG1 2.63Å; L80-T84 VanDerWaalsContact O-OG1 3.12Å; C81-T84 PolarHBondContact O-OG1 2.77Å; H82-T84 PolarHBondContact O-N 3.32Å; T84-A86 VanDerWaalsContact C-N 3.29Å; T84-A86 PolarHBondContact O-N 3.4Å; T84-M93 HydrophobicContact CG2-CG 4.02Å; T84-A97 HydrophobicContact CG2-CB 3.54Å
85S91.6Very high89.5Confident56 Ų5644.6 Ų44.639%0.39225%0.247SC..THydrogen-bonded Turntrans-77-8.9175.7800000114.5Y37 C81 H82 L83Y37-S85 WeakPolarHBondContact CE2-OG 3.49Å; C81-S85 PolarHBondContact O-N 2.96Å; H82-S85 WeakPolarHBondContact O-CB 3.18Å; H82-S85 PolarHBondContact O-N 3.01Å; H82-S85 VanDerWaalsContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 3.46Å; L83-S85 PolarHBondContact O-N 3.32Å
86A89.1Confident89.3Confident8 Ų843 Ų437%0.06624%0.24CC..SBendtrans-63.5-46.7-177.500000111.8Y37 I40 L83 T84Y37-A86 HydrophobicContact CD2-CB 3.52Å; Y37-A86 HydrophobicContact CE2-CB 3.65Å; Y37-A86 HydrophobicContact CG-CB 4.23Å; I40-A86 HydrophobicContact CB-CB 4.16Å; I40-A86 HydrophobicContact CG2-CB 3.68Å; L83-A86 VanDerWaalsContact O-CB 3.22Å; L83-A86 WeakPolarHBondContact O-CB 3.23Å; L83-A86 PolarHBondContact O-N 3.34Å; T84-A86 VanDerWaalsContact C-N 3.29Å; T84-A86 PolarHBondContact O-N 3.4Å
87R82.7Confident89.1Confident43 Ų4343.4 Ų43.416%0.16224%0.244CC..  trans-148.384176.4-69.5-173.967.3-162.7-5.3110I40 T89 A90I40-R87 HydrophobicContact CG2-CB 4.36Å; I40-R87 HydrophobicContact CG2-CG 3.95Å; I40-R87 VanDerWaalsContact O-CD 3.27Å; I40-R87 WeakPolarHBondContact O-CD 3.43Å; R87-T89 PolarHBondContact O-N 2.8Å; R87-A90 PolarHBondContact O-N 2.9Å
88P74.8Confident89Confident109 Ų10944.9 Ų44.971%0.70825%0.249SC*.THydrogen-bonded Turntrans-59.6-15.2-173.1-2634.9000115.6A90P88-A90 VanDerWaalsContact C-N 3.29Å
89T67.8Low88.9Confident65 Ų6541.9 Ų41.940%0.39924%0.236SC..THydrogen-bonded Turntrans-73.6-18.3176.151.90000113.4R87 V91 E291R87-T89 PolarHBondContact O-N 2.8Å; T89-V91 PolarHBondContact O-N 3.34Å; T89-E291 HydrophobicContact CG2-CB 4.4Å; T89-E291 HydrophobicContact CG2-CG 4.4Å
90A70.9Confident88.9Confident11 Ų1141.4 Ų41.49%0.09123%0.232CC..  trans-86.194.1178.700000111.4A48 I51 R87 P88 N92 M93A48-A90 HydrophobicContact CB-CB 4.38Å; I51-A90 HydrophobicContact CD1-CB 4.48Å; R87-A90 PolarHBondContact O-N 2.9Å; P88-A90 VanDerWaalsContact C-N 3.29Å; A90-N92 PolarHBondContact O-N 2.88Å; A90-N92 VanDerWaalsContact O-N 3.17Å; A90-M93 PolarHBondContact O-N 2.86Å
91V78.6Confident88.9Confident48 Ų4842.4 Ų42.429%0.29124%0.237SC..Hα-helixtrans-57-33.6-177.8-177.20000112.5T89 M93 G94 R95 R242T89-V91 PolarHBondContact O-N 3.34Å; V91-M93 VanDerWaalsContact C-N 3.28Å; V91-M93 PolarHBondContact O-N 3.02Å; V91-G94 PolarHBondContact O-N 3.5Å; V91-G94 VanDerWaalsContact O-N 3.14Å; V91-R95 PolarHBondContact O-N 3.23Å; V91-R242 VanDerWaalsContact CG2-CZ 3.45Å
92N86.6Confident89Confident11 Ų1143.1 Ų43.16%0.05923%0.232CC..Hα-helixtrans-58.1-38.3-178.2-57.658000112.4A48 A52 A90 R95 A96 S277A48-N92 HydrophobicContact CB-CB 4.23Å; A48-N92 VanDerWaalsContact CB-OD1 3.24Å; A48-N92 WeakPolarHBondContact CB-OD1 3.35Å; A48-N92 WeakPolarHBondContact O-CB 3.33Å; A52-N92 HydrophobicContact CB-CB 4.05Å; A90-N92 PolarHBondContact O-N 2.88Å; A90-N92 VanDerWaalsContact O-N 3.17Å; N92-R95 PolarHBondContact O-N 3.46Å; N92-A96 VanDerWaalsContact O-CB 3.29Å; N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 3.27Å; N92-S277 PolarHBondContact ND2-OG 3.14Å
93M90.8Very high89.1Confident4 Ų442.7 Ų42.72%0.0223%0.229CC..Hα-helixtrans-68.5-43.8177.7-175.669.7-134.200111I51 A52 L80 L83 T84 A90 V91 R95 A96 A97I51-M93 HydrophobicContact CG2-CB 4.46Å; A52-M93 HydrophobicContact CB-CB 4.47Å; A52-M93 HydrophobicContact CB-SD 4.45Å; L80-M93 HydrophobicContact CD2-CE 4.19Å; L83-M93 HydrophobicContact CB-CE 3.53Å; L83-M93 HydrophobicContact CB-SD 4.2Å; L83-M93 HydrophobicContact CD1-CE 4.01Å; L83-M93 HydrophobicContact CG-CE 4.38Å; T84-M93 HydrophobicContact CG2-CG 4.02Å; A90-M93 PolarHBondContact O-N 2.86Å; V91-M93 VanDerWaalsContact C-N 3.28Å; V91-M93 PolarHBondContact O-N 3.02Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 3.15Å; M93-A96 PolarHBondContact O-N 3.32Å; M93-A97 HydrophobicContact CE-CB 4.4Å; M93-A97 WeakPolarHBondContact O-CB 3.44Å; M93-A97 PolarHBondContact O-N 3.34Å
94G90.7Very high89.1Confident30 Ų3042.6 Ų42.631%0.30923%0.228SC..Hα-helixtrans-63.4-38176.700000112.8V91 R98V91-G94 PolarHBondContact O-N 3.5Å; V91-G94 VanDerWaalsContact O-N 3.14Å; G94-R98 PolarHBondContact O-N 3.25Å
95R90.7Very high89.2Confident71 Ų7144 Ų4427%0.26823%0.232SC..Hα-helixtrans-66.6-52.2174.5-179.3173.7-178.9167.9-3.2111.9V91 N92 M93 A97 R98 E99 S275 T276V91-R95 PolarHBondContact O-N 3.23Å; N92-R95 PolarHBondContact O-N 3.46Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 3.15Å; R95-A97 VanDerWaalsContact C-N 3.29Å; R95-A97 PolarHBondContact O-N 2.7Å; R95-R98 PolarHBondContact O-N 3.43Å; R95-R98 VanDerWaalsContact O-N 3.14Å; R95-E99 HydrophobicContact CG-CG 4.45Å; R95-E99 VanDerWaalsContact CG-OE1 3.26Å; R95-E99 WeakPolarHBondContact CG-OE1 3.4Å; R95-E99 IonicContact CZ-OE1 3.1Å; R95-E99 IonicContact NE-OE1 2.72Å; R95-E99 PolarHBondContact NE-OE1 3.04Å; R95-E99 IonicContact NH2-OE1 3.38Å; R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 2.99Å; R95-S275 PolarHBondContact NH1-O 3.03Å; R95-T276 PolarHBondContact NH1-O 3.24Å
96A93.8Very high89.4Confident5 Ų546 Ų464%0.04124%0.238CC..Hα-helixtrans-59.7-40.4179.100000111.8A52 N92 M93 R98 L100 M127A52-A96 HydrophobicContact CB-CB 4.25Å; N92-A96 VanDerWaalsContact O-CB 3.29Å; N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 3.27Å; M93-A96 PolarHBondContact O-N 3.32Å; A96-R98 PolarHBondContact O-N 3.2Å; A96-L100 WeakPolarHBondContact O-CB 3.33Å; A96-L100 PolarHBondContact O-N 2.98Å; A96-M127 HydrophobicContact CB-CE 3.67Å; A96-M127 HydrophobicContact CB-SD 4.24Å
97A95.1Very high89.8Confident9 Ų947.5 Ų47.57%0.07424%0.244CC..Hα-helixtrans-60.3-44.2175.100000112.5L80 T84 M93 R95 M101L80-A97 HydrophobicContact CB-CB 3.98Å; L80-A97 HydrophobicContact CD2-CB 4.25Å; L80-A97 HydrophobicContact CG-CB 4.48Å; T84-A97 HydrophobicContact CG2-CB 3.54Å; M93-A97 HydrophobicContact CE-CB 4.4Å; M93-A97 WeakPolarHBondContact O-CB 3.44Å; M93-A97 PolarHBondContact O-N 3.34Å; R95-A97 VanDerWaalsContact C-N 3.29Å; R95-A97 PolarHBondContact O-N 2.7Å; A97-M101 VanDerWaalsContact O-CB 3.24Å; A97-M101 WeakPolarHBondContact O-CB 3.44Å; A97-M101 PolarHBondContact O-N 2.89Å
98R94.6Very high90.3Very high131 Ų13147.7 Ų47.749%0.49425%0.252SS..Hα-helixtrans-65.5-50.8178.5-165.9-166.4-37.398.35.9111.8G94 R95 A96 L100 M101 E102G94-R98 PolarHBondContact O-N 3.25Å; R95-R98 PolarHBondContact O-N 3.43Å; R95-R98 VanDerWaalsContact O-N 3.14Å; A96-R98 PolarHBondContact O-N 3.2Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.13Å; R98-M101 PolarHBondContact O-N 2.83Å; R98-E102 WeakPolarHBondContact CG-OE1 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.29Å; R98-E102 PolarHBondContact O-N 2.96Å
99E95.4Very high91.2Very high68 Ų6849.4 Ų49.432%0.31825%0.252SS..Hα-helixtrans-61.7-40.6-178.7-69172.6-176.500111.5R95 F103 W123R95-E99 HydrophobicContact CG-CG 4.45Å; R95-E99 VanDerWaalsContact CG-OE1 3.26Å; R95-E99 WeakPolarHBondContact CG-OE1 3.4Å; R95-E99 IonicContact CZ-OE1 3.1Å; R95-E99 IonicContact NE-OE1 2.72Å; R95-E99 PolarHBondContact NE-OE1 3.04Å; R95-E99 IonicContact NH2-OE1 3.38Å; R95-E99 WeakPolarHBondContact O-CG 3.49Å; R95-E99 PolarHBondContact O-N 2.99Å; E99-F103 WeakPolarHBondContact O-CB 3.26Å; E99-F103 PolarHBondContact O-N 3.41Å; E99-W123 HydrophobicContact CB-CH2 4.29Å; E99-W123 HydrophobicContact CB-CZ2 3.99Å
100L97.3Very high92.4Very high0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-69.7-38.3176.6-178.152.2000112.6L59 L80 A96 R98 F103 A104 V120 W123 I124L59-L100 HydrophobicContact CD2-CD2 4.19Å; L80-L100 HydrophobicContact CD1-CB 4.18Å; L80-L100 HydrophobicContact CD1-CD2 4.14Å; L80-L100 HydrophobicContact CD1-CG 4.1Å; L80-L100 HydrophobicContact CD2-CD2 4.07Å; A96-L100 WeakPolarHBondContact O-CB 3.33Å; A96-L100 PolarHBondContact O-N 2.98Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.13Å; L100-F103 HydrophobicContact CD1-CD1 4.33Å; L100-F103 PolarHBondContact O-N 2.76Å; L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 2.91Å; L100-V120 HydrophobicContact CD1-CG1 3.97Å; L100-W123 HydrophobicContact CB-CE3 4.21Å; L100-W123 HydrophobicContact CB-CH2 3.92Å; L100-W123 HydrophobicContact CB-CZ2 4.49Å; L100-W123 HydrophobicContact CB-CZ3 3.77Å; L100-W123 HydrophobicContact CD1-CD2 3.8Å; L100-W123 HydrophobicContact CD1-CE3 3.45Å; L100-W123 VanDerWaalsContact CD1-CE3 3.45Å; L100-W123 HydrophobicContact CD1-CG 4.28Å; L100-W123 HydrophobicContact CD1-CZ3 3.91Å; L100-W123 HydrophobicContact CD2-CE3 4.33Å; L100-W123 HydrophobicContact CD2-CZ3 4.17Å; L100-W123 HydrophobicContact CG-CE3 4.2Å; L100-W123 HydrophobicContact CG-CZ3 4.16Å; L100-I124 HydrophobicContact CD1-CG1 4.24Å; L100-I124 HydrophobicContact CD2-CD1 3.88Å; L100-I124 HydrophobicContact CD2-CG1 3.78Å
101M97.1Very high93.5Very high25 Ų2557.6 Ų57.612%0.12328%0.283CS..Hα-helixtrans-65.5-46.1176.6-169.371.4-12000111.2V73 I76 R77 L80 A97 R98 F103 A104 E105V73-M101 HydrophobicContact CG1-CE 3.66Å; I76-M101 HydrophobicContact CG2-SD 4.25Å; R77-M101 VanDerWaalsContact CA-SD 3.52Å; R77-M101 HydrophobicContact CB-CE 4.08Å; R77-M101 HydrophobicContact CB-SD 3.51Å; R77-M101 VanDerWaalsContact CB-SD 3.51Å; R77-M101 HydrophobicContact CG-SD 3.79Å; L80-M101 HydrophobicContact CD1-CB 4.35Å; A97-M101 VanDerWaalsContact O-CB 3.24Å; A97-M101 WeakPolarHBondContact O-CB 3.44Å; A97-M101 PolarHBondContact O-N 2.89Å; R98-M101 PolarHBondContact O-N 2.83Å; M101-F103 VanDerWaalsContact C-N 3.31Å; M101-F103 PolarHBondContact O-N 3.14Å; M101-A104 PolarHBondContact O-N 3.29Å; M101-E105 HydrophobicContact CE-CG 3.54Å; M101-E105 WeakPolarHBondContact O-CG 3.24Å; M101-E105 PolarHBondContact O-N 3.06Å
102E96.9Very high94.2Very high103 Ų10359.3 Ų59.348%0.48129%0.291SS..Hα-helixtrans-59.1-42.9175.2-73.7172.3-166.500111.1R98 N106R98-E102 WeakPolarHBondContact CG-OE1 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.29Å; R98-E102 PolarHBondContact O-N 2.96Å; E102-N106 WeakPolarHBondContact O-CB 3.25Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 3.39Å; E102-N106 VanDerWaalsContact O-N 3.09Å; E102-N106 PolarHBondContact O-ND2 3.35Å
103F97.3Very high94.6Very high54 Ų5460.5 Ų60.524%0.23730%0.299CS..Hα-helixtrans-60.7-49.6174.2175.7-98.5000112E99 L100 M101 E105 N106 E107 S119 V120 W123E99-F103 WeakPolarHBondContact O-CB 3.26Å; E99-F103 PolarHBondContact O-N 3.41Å; L100-F103 HydrophobicContact CD1-CD1 4.33Å; L100-F103 PolarHBondContact O-N 2.76Å; M101-F103 VanDerWaalsContact C-N 3.31Å; M101-F103 PolarHBondContact O-N 3.14Å; F103-E105 PolarHBondContact O-N 3.33Å; F103-N106 PolarHBondContact O-N 3.49Å; F103-E107 HydrophobicContact CD1-CG 4.28Å; F103-E107 HydrophobicContact CD2-CG 4.18Å; F103-E107 HydrophobicContact CE1-CG 3.9Å; F103-E107 HydrophobicContact CE2-CG 3.8Å; F103-E107 HydrophobicContact CG-CG 4.41Å; F103-E107 HydrophobicContact CZ-CG 3.65Å; F103-E107 WeakPolarHBondContact O-CB 3.44Å; F103-E107 VanDerWaalsContact O-CG 3.23Å; F103-E107 WeakPolarHBondContact O-CG 3.32Å; F103-E107 PolarHBondContact O-N 2.84Å; F103-S119 WeakPolarHBondContact CE1-O 3.43Å; F103-V120 HydrophobicContact CD1-CG2 4.42Å; F103-V120 HydrophobicContact CE1-CG2 4.35Å; F103-W123 HydrophobicContact CD1-CB 3.97Å; F103-W123 AromaticContact CD1-CD1 3.71Å; F103-W123 AromaticContact CD1-CG 3.87Å; F103-W123 HydrophobicContact CD1-CG 3.87Å; F103-W123 AromaticContact CD2-CD1 3.59Å; F103-W123 HydrophobicContact CE1-CB 3.65Å; F103-W123 AromaticContact CE1-CD1 3.93Å; F103-W123 HydrophobicContact CE1-CG 4.01Å; F103-W123 AromaticContact CE2-CD1 3.81Å; F103-W123 AromaticContact CG-CD1 3.53Å; F103-W123 HydrophobicContact CG-CG 4.13Å; F103-W123 AromaticContact CG-NE1 3.91Å; F103-W123 HydrophobicContact CZ-CB 4.08Å; F103-W123 AromaticContact CZ-CD1 3.97Å; F103-W123 HydrophobicContact CZ-CG 4.38Å
104A96.9Very high94.7Very high0 Ų066.6 Ų66.60%033%0.328CS..Hα-helixtrans-63.5-39.8-178.800000112.7I76 L100 M101 S108 L116 V120I76-A104 HydrophobicContact CD1-CB 4.12Å; I76-A104 HydrophobicContact CG2-CB 4.35Å; L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 2.91Å; M101-A104 PolarHBondContact O-N 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.5Å; A104-S108 PolarHBondContact O-N 3.05Å; A104-L116 WeakPolarHBondContact O-CD1 3.44Å; A104-V120 HydrophobicContact CB-CG2 3.91Å
105E95.5Very high95Very high74 Ų7469.7 Ų69.735%0.34634%0.335SS..Hα-helixtrans-64.2-43.2176-76.4176.7171.200111.6V73 R77 M101 F103 S108V73-E105 HydrophobicContact CG1-CG 4.29Å; R77-E105 IonicContact CZ-OE1 2.91Å; R77-E105 IonicContact NE-OE1 3.21Å; R77-E105 IonicContact NH2-OE1 2.6Å; R77-E105 PolarHBondContact NH2-OE1 3.26Å; M101-E105 HydrophobicContact CE-CG 3.54Å; M101-E105 WeakPolarHBondContact O-CG 3.24Å; M101-E105 PolarHBondContact O-N 3.06Å; F103-E105 PolarHBondContact O-N 3.33Å; E105-S108 PolarHBondContact O-N 2.87Å; E105-S108 PolarHBondContact O-OG 3.08Å
106N95.9Very high95.2Very high97 Ų9766.5 Ų66.552%0.51932%0.323SS..Hα-helixtrans-62.9-47.1177.1-72.7-33.4000112.4E102 F103 S108 M109E102-N106 WeakPolarHBondContact O-CB 3.25Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 3.39Å; E102-N106 VanDerWaalsContact O-N 3.09Å; E102-N106 PolarHBondContact O-ND2 3.35Å; F103-N106 PolarHBondContact O-N 3.49Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.72Å; N106-M109 HydrophobicContact CB-CE 4.27Å; N106-M109 WeakPolarHBondContact O-CB 3.29Å; N106-M109 PolarHBondContact O-N 2.66Å; N106-M109 WeakPolarHBondContact OD1-CE 3.21Å
107E95.8Very high95.3Very high40 Ų4068.3 Ų68.319%0.18733%0.328CS..Hα-helixtrans-65.8-31.7-179.7-68.6-79.2102.900112.3F103 M109 E110 K111 L116 S119F103-E107 HydrophobicContact CD1-CG 4.28Å; F103-E107 HydrophobicContact CD2-CG 4.18Å; F103-E107 HydrophobicContact CE1-CG 3.9Å; F103-E107 HydrophobicContact CE2-CG 3.8Å; F103-E107 HydrophobicContact CG-CG 4.41Å; F103-E107 HydrophobicContact CZ-CG 3.65Å; F103-E107 WeakPolarHBondContact O-CB 3.44Å; F103-E107 VanDerWaalsContact O-CG 3.23Å; F103-E107 WeakPolarHBondContact O-CG 3.32Å; F103-E107 PolarHBondContact O-N 2.84Å; E107-M109 PolarHBondContact O-N 2.76Å; E107-E110 PolarHBondContact O-N 2.95Å; E107-K111 HydrophobicContact CB-CD 4.45Å; E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 PolarHBondContact O-N 2.83Å; E107-K111 WeakPolarHBondContact OE2-CD 3.42Å; E107-K111 VanDerWaalsContact OE2-CE 3.29Å; E107-K111 WeakPolarHBondContact OE2-CE 3.18Å; E107-K111 IonicContact OE2-NZ 3.13Å; E107-K111 PolarHBondContact OE2-NZ 3.15Å; E107-L116 HydrophobicContact CB-CD1 3.62Å; E107-S119 WeakPolarHBondContact OE2-CB 3.37Å; E107-S119 PolarHBondContact OE2-OG 2.98Å
108S94.1Very high95.4Very high47 Ų4772.2 Ų72.233%0.32935%0.348SS..Hα-helixtrans-65-18.5179770000114.3A104 E105 N106 E110A104-S108 WeakPolarHBondContact O-CB 3.5Å; A104-S108 PolarHBondContact O-N 3.05Å; E105-S108 PolarHBondContact O-N 2.87Å; E105-S108 PolarHBondContact O-OG 3.08Å; N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 2.72Å; S108-E110 VanDerWaalsContact C-N 3.3Å; S108-E110 PolarHBondContact O-N 2.99Å
109M93.7Very high95.5Very high144 Ų14466.9 Ų66.971%0.70933%0.331SS*.THydrogen-bonded Turntrans-71.6-25.3177.3-66.8-170.2-90.100112.7N106 E107N106-M109 HydrophobicContact CB-CE 4.27Å; N106-M109 WeakPolarHBondContact O-CB 3.29Å; N106-M109 PolarHBondContact O-N 2.66Å; N106-M109 WeakPolarHBondContact OD1-CE 3.21Å; E107-M109 PolarHBondContact O-N 2.76Å
110E93.1Very high95.6Very high176 Ų17663.6 Ų63.682%0.82232%0.316SS*.THydrogen-bonded Turntrans-119.8-20.2-172.6-60.8-172.2174.100113.5E107 S108E107-E110 PolarHBondContact O-N 2.95Å; S108-E110 VanDerWaalsContact C-N 3.3Å; S108-E110 PolarHBondContact O-N 2.99Å
111K93.4Very high95.7Very high73 Ų7363.7 Ų63.732%0.31732%0.316SS..SBendtrans-111.3146.1-171.6-68.5-179.6174.4178.50112.4E107 Q115 L116 S119E107-K111 HydrophobicContact CB-CD 4.45Å; E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 PolarHBondContact O-N 2.83Å; E107-K111 WeakPolarHBondContact OE2-CD 3.42Å; E107-K111 VanDerWaalsContact OE2-CE 3.29Å; E107-K111 WeakPolarHBondContact OE2-CE 3.18Å; E107-K111 IonicContact OE2-NZ 3.13Å; E107-K111 PolarHBondContact OE2-NZ 3.15Å; K111-Q115 HydrophobicContact CB-CB 3.83Å; K111-Q115 HydrophobicContact CD-CB 4.22Å; K111-Q115 HydrophobicContact CG-CB 4.13Å; K111-L116 HydrophobicContact CB-CB 4.42Å; K111-S119 PolarHBondContact NZ-OG 3.45Å
112N93.9Very high95.7Very high84 Ų8465.2 Ų65.245%0.44933%0.329SS..  trans-73.6171.1168.871.638.9000111.5E114 Q115 L116N112-E114 VanDerWaalsContact C-N 3.26Å; N112-E114 PolarHBondContact O-N 2.95Å; N112-E114 PolarHBondContact OD1-N 2.99Å; N112-Q115 PolarHBondContact ND2-OE1 2.7Å; N112-Q115 PolarHBondContact O-N 3.05Å; N112-Q115 WeakPolarHBondContact OD1-CG 3.28Å; N112-Q115 PolarHBondContact OD1-N 2.96Å; N112-L116 WeakPolarHBondContact O-CB 3.42Å; N112-L116 PolarHBondContact O-N 3.3Å
113S94Very high95.8Very high35 Ų3561.9 Ų61.925%0.24531%0.312CS..Hα-helixtrans-61.7-26.8-174.1-48.60000114.7D70 R117D70-S113 PolarHBondContact O-OG 2.75Å; S113-R117 WeakPolarHBondContact O-CG 3.31Å; S113-R117 PolarHBondContact O-N 2.8Å; S113-R117 PolarHBondContact O-NE 3.04Å; S113-R117 VanDerWaalsContact O-NE 3.11Å
114E94Very high95.8Very high133 Ų13359.4 Ų59.462%0.62130%0.301SS*.Hα-helixtrans-76.5-50.3174.9-174.2177.5-173.400111N112 L116 R117 D118N112-E114 VanDerWaalsContact C-N 3.26Å; N112-E114 PolarHBondContact O-N 2.95Å; N112-E114 PolarHBondContact OD1-N 2.99Å; E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 2.96Å; E114-R117 WeakPolarHBondContact O-CB 3.23Å; E114-R117 PolarHBondContact O-N 3.11Å; E114-R117 VanDerWaalsContact O-N 3.12Å; E114-D118 PolarHBondContact O-N 2.97Å; E114-D118 VanDerWaalsContact O-N 3.08Å
115Q95.8Very high95.8Very high95 Ų9561.6 Ų61.644%0.44431%0.312SS..Hα-helixtrans-61.2-37.3178.1-69.6172.3-35.300112.6K111 N112 S119K111-Q115 HydrophobicContact CB-CB 3.83Å; K111-Q115 HydrophobicContact CD-CB 4.22Å; K111-Q115 HydrophobicContact CG-CB 4.13Å; N112-Q115 PolarHBondContact ND2-OE1 2.7Å; N112-Q115 PolarHBondContact O-N 3.05Å; N112-Q115 WeakPolarHBondContact OD1-CG 3.28Å; N112-Q115 PolarHBondContact OD1-N 2.96Å; Q115-S119 WeakPolarHBondContact O-CB 3.46Å; Q115-S119 PolarHBondContact O-N 2.76Å; Q115-S119 PolarHBondContact O-OG 3.02Å
116L96.3Very high95.9Very high4 Ų461.3 Ų61.32%0.02131%0.312CS..Hα-helixtrans-64.6-44175.217559.4000111.2P72 V73 A104 E107 K111 N112 E114 D118 S119 V120P72-L116 HydrophobicContact CB-CD2 4.47Å; P72-L116 HydrophobicContact CG-CD2 3.69Å; P72-L116 HydrophobicContact CG-CG 4.35Å; V73-L116 HydrophobicContact CG2-CD2 3.58Å; A104-L116 WeakPolarHBondContact O-CD1 3.44Å; E107-L116 HydrophobicContact CB-CD1 3.62Å; K111-L116 HydrophobicContact CB-CB 4.42Å; N112-L116 WeakPolarHBondContact O-CB 3.42Å; N112-L116 PolarHBondContact O-N 3.3Å; E114-L116 VanDerWaalsContact C-N 3.29Å; E114-L116 PolarHBondContact O-N 2.96Å; L116-D118 PolarHBondContact O-N 2.77Å; L116-S119 PolarHBondContact O-N 3.1Å; L116-V120 HydrophobicContact CD1-CG2 3.91Å; L116-V120 HydrophobicContact CG-CG2 4.45Å; L116-V120 WeakPolarHBondContact O-CB 3.23Å; L116-V120 VanDerWaalsContact O-CG2 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.27Å; L116-V120 PolarHBondContact O-N 2.98Å
117R96Very high95.8Very high42 Ų4258.1 Ų58.116%0.15830%0.295CS..Hα-helixtrans-57.4-49.6175.7-83.8-176.1-83.2-142.7-1.7111.4L63 G66 A67 G69 P72 S113 E114 S119 V120 I121L63-R117 HydrophobicContact CB-CG 4.43Å; L63-R117 HydrophobicContact CD2-CG 4.14Å; G66-R117 PolarHBondContact O-NH1 2.86Å; G66-R117 VanDerWaalsContact O-NH1 3.13Å; A67-R117 PolarHBondContact O-NH1 2.91Å; G69-R117 PolarHBondContact O-NH1 2.98Å; G69-R117 PolarHBondContact O-NH2 3.23Å; P72-R117 HydrophobicContact CB-CG 4.16Å; S113-R117 WeakPolarHBondContact O-CG 3.31Å; S113-R117 PolarHBondContact O-N 2.8Å; S113-R117 PolarHBondContact O-NE 3.04Å; S113-R117 VanDerWaalsContact O-NE 3.11Å; E114-R117 WeakPolarHBondContact O-CB 3.23Å; E114-R117 PolarHBondContact O-N 3.11Å; E114-R117 VanDerWaalsContact O-N 3.12Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 3.02Å; R117-V120 PolarHBondContact O-N 3.3Å; R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.38Å; R117-I121 PolarHBondContact O-N 3.21Å
118D96.4Very high95.8Very high92 Ų9257.7 Ų57.749%0.49229%0.294SS..Hα-helixtrans-60.9-40.5179.2-73.3-20.3000112.1E114 L116 I121 S122E114-D118 PolarHBondContact O-N 2.97Å; E114-D118 VanDerWaalsContact O-N 3.08Å; L116-D118 PolarHBondContact O-N 2.77Å; D118-I121 PolarHBondContact O-N 2.92Å; D118-S122 WeakPolarHBondContact O-CB 3.29Å; D118-S122 PolarHBondContact O-N 2.88Å
119S97.6Very high95.9Very high18 Ų1862 Ų6213%0.12631%0.309CS..Hα-helixtrans-67.7-41.7-179.8-53.80000111.8F103 E107 K111 Q115 L116 R117 S122 W123F103-S119 WeakPolarHBondContact CE1-O 3.43Å; E107-S119 WeakPolarHBondContact OE2-CB 3.37Å; E107-S119 PolarHBondContact OE2-OG 2.98Å; K111-S119 PolarHBondContact NZ-OG 3.45Å; Q115-S119 WeakPolarHBondContact O-CB 3.46Å; Q115-S119 PolarHBondContact O-N 2.76Å; Q115-S119 PolarHBondContact O-OG 3.02Å; L116-S119 PolarHBondContact O-N 3.1Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 3.02Å; S119-S122 PolarHBondContact O-N 2.9Å; S119-W123 PolarHBondContact O-N 3.43Å
120V97.8Very high96Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-65.9-42.5175.8169.40000111.1L63 I76 L100 F103 A104 L116 R117 W123 I124L63-V120 HydrophobicContact CD1-CB 4.22Å; L63-V120 HydrophobicContact CD1-CG1 3.5Å; I76-V120 HydrophobicContact CD1-CB 4.37Å; I76-V120 HydrophobicContact CD1-CG1 3.98Å; I76-V120 HydrophobicContact CD1-CG2 3.87Å; L100-V120 HydrophobicContact CD1-CG1 3.97Å; F103-V120 HydrophobicContact CD1-CG2 4.42Å; F103-V120 HydrophobicContact CE1-CG2 4.35Å; A104-V120 HydrophobicContact CB-CG2 3.91Å; L116-V120 HydrophobicContact CD1-CG2 3.91Å; L116-V120 HydrophobicContact CG-CG2 4.45Å; L116-V120 WeakPolarHBondContact O-CB 3.23Å; L116-V120 VanDerWaalsContact O-CG2 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.27Å; L116-V120 PolarHBondContact O-N 2.98Å; R117-V120 PolarHBondContact O-N 3.3Å; V120-W123 PolarHBondContact O-N 2.67Å; V120-I124 HydrophobicContact CG1-CD1 3.9Å; V120-I124 WeakPolarHBondContact O-CD1 3.46Å; V120-I124 VanDerWaalsContact O-CG1 3.26Å; V120-I124 WeakPolarHBondContact O-CG1 3.25Å; V120-I124 PolarHBondContact O-N 2.69Å; V120-I124 VanDerWaalsContact O-N 3.1Å
121I97.9Very high96.1Very high2 Ų253.1 Ų53.11%0.0126%0.261CS..Hα-helixtrans-61.9-46.5175.8-66.9161000110.4A60 L63 R64 R117 D118 W123 I124 E125A60-I121 HydrophobicContact CB-CG1 4.27Å; A60-I121 HydrophobicContact CB-CG2 4.21Å; L63-I121 HydrophobicContact CB-CD1 3.97Å; L63-I121 HydrophobicContact CB-CG1 3.98Å; L63-I121 HydrophobicContact CD1-CG1 4.37Å; R64-I121 HydrophobicContact CB-CD1 3.94Å; R64-I121 HydrophobicContact CG-CD1 4.49Å; R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.38Å; R117-I121 PolarHBondContact O-N 3.21Å; D118-I121 PolarHBondContact O-N 2.92Å; I121-W123 VanDerWaalsContact C-N 3.32Å; I121-W123 PolarHBondContact O-N 3.22Å; I121-I124 PolarHBondContact O-N 2.94Å; I121-I124 VanDerWaalsContact O-N 3.16Å; I121-E125 HydrophobicContact CG2-CG 4.23Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.48Å; I121-E125 WeakPolarHBondContact O-CG 3.39Å; I121-E125 PolarHBondContact O-N 3.33Å
122S97.9Very high96.2Very high57 Ų5751.4 Ų51.440%0.39926%0.256SS..Hα-helixtrans-57.9-44.4176.7-169.40000111.6D118 S119 I124 E125 D126D118-S122 WeakPolarHBondContact O-CB 3.29Å; D118-S122 PolarHBondContact O-N 2.88Å; S119-S122 PolarHBondContact O-N 2.9Å; S122-I124 VanDerWaalsContact C-N 3.28Å; S122-I124 PolarHBondContact O-N 3.39Å; S122-E125 PolarHBondContact O-N 3.23Å; S122-D126 WeakPolarHBondContact O-CB 3.41Å; S122-D126 PolarHBondContact O-N 3.46Å
123W97.8Very high96.4Very high32 Ų3251.3 Ų51.312%0.12126%0.256CS..Hα-helixtrans-59.2-40.3177.7-174103.9000112.5E99 L100 F103 S119 V120 I121 M127E99-W123 HydrophobicContact CB-CH2 4.29Å; E99-W123 HydrophobicContact CB-CZ2 3.99Å; L100-W123 HydrophobicContact CB-CE3 4.21Å; L100-W123 HydrophobicContact CB-CH2 3.92Å; L100-W123 HydrophobicContact CB-CZ2 4.49Å; L100-W123 HydrophobicContact CB-CZ3 3.77Å; L100-W123 HydrophobicContact CD1-CD2 3.8Å; L100-W123 HydrophobicContact CD1-CE3 3.45Å; L100-W123 VanDerWaalsContact CD1-CE3 3.45Å; L100-W123 HydrophobicContact CD1-CG 4.28Å; L100-W123 HydrophobicContact CD1-CZ3 3.91Å; L100-W123 HydrophobicContact CD2-CE3 4.33Å; L100-W123 HydrophobicContact CD2-CZ3 4.17Å; L100-W123 HydrophobicContact CG-CE3 4.2Å; L100-W123 HydrophobicContact CG-CZ3 4.16Å; F103-W123 HydrophobicContact CD1-CB 3.97Å; F103-W123 AromaticContact CD1-CD1 3.71Å; F103-W123 AromaticContact CD1-CG 3.87Å; F103-W123 HydrophobicContact CD1-CG 3.87Å; F103-W123 AromaticContact CD2-CD1 3.59Å; F103-W123 HydrophobicContact CE1-CB 3.65Å; F103-W123 AromaticContact CE1-CD1 3.93Å; F103-W123 HydrophobicContact CE1-CG 4.01Å; F103-W123 AromaticContact CE2-CD1 3.81Å; F103-W123 AromaticContact CG-CD1 3.53Å; F103-W123 HydrophobicContact CG-CG 4.13Å; F103-W123 AromaticContact CG-NE1 3.91Å; F103-W123 HydrophobicContact CZ-CB 4.08Å; F103-W123 AromaticContact CZ-CD1 3.97Å; F103-W123 HydrophobicContact CZ-CG 4.38Å; S119-W123 PolarHBondContact O-N 3.43Å; V120-W123 PolarHBondContact O-N 2.67Å; I121-W123 VanDerWaalsContact C-N 3.32Å; I121-W123 PolarHBondContact O-N 3.22Å; W123-M127 HydrophobicContact CH2-SD 4.34Å; W123-M127 HydrophobicContact CZ3-CB 4.3Å; W123-M127 HydrophobicContact CZ3-SD 3.9Å; W123-M127 PolarHBondContact O-N 3.35Å
124I97.8Very high96.6Very high2 Ų251.2 Ų51.21%0.0125%0.253CS..Hα-helixtrans-70.1-40.2178.4-66.5162.3000110.9C56 L57 L59 A60 L100 V120 I121 S122 M127 L128C56-I124 HydrophobicContact CB-CG1 4.2Å; C56-I124 HydrophobicContact CB-CG2 3.8Å; L57-I124 HydrophobicContact CD2-CG2 3.74Å; L57-I124 HydrophobicContact CG-CG2 4.15Å; L59-I124 HydrophobicContact CD2-CD1 4.48Å; A60-I124 HydrophobicContact CB-CB 4.27Å; A60-I124 HydrophobicContact CB-CD1 3.92Å; A60-I124 HydrophobicContact CB-CG2 3.96Å; L100-I124 HydrophobicContact CD1-CG1 4.24Å; L100-I124 HydrophobicContact CD2-CD1 3.88Å; L100-I124 HydrophobicContact CD2-CG1 3.78Å; V120-I124 HydrophobicContact CG1-CD1 3.9Å; V120-I124 WeakPolarHBondContact O-CD1 3.46Å; V120-I124 VanDerWaalsContact O-CG1 3.26Å; V120-I124 WeakPolarHBondContact O-CG1 3.25Å; V120-I124 PolarHBondContact O-N 2.69Å; V120-I124 VanDerWaalsContact O-N 3.1Å; I121-I124 PolarHBondContact O-N 2.94Å; I121-I124 VanDerWaalsContact O-N 3.16Å; S122-I124 VanDerWaalsContact C-N 3.28Å; S122-I124 PolarHBondContact O-N 3.39Å; I124-M127 WeakPolarHBondContact O-CB 3.48Å; I124-M127 PolarHBondContact O-N 2.93Å; I124-L128 PolarHBondContact O-N 2.9Å
125E97.3Very high96.8Very high47 Ų4744.9 Ų44.922%0.2222%0.223CC..Hα-helixtrans-63.7-42.8175.6-69.5177.2170.400110.6Y8 R64 I121 S122 M127 L128 E129Y8-E125 HydrophobicContact CE1-CG 3.64Å; Y8-E125 WeakPolarHBondContact CE1-OE1 3.25Å; Y8-E125 PolarHBondContact OH-OE1 2.76Å; R64-E125 IonicContact CZ-OE1 2.66Å; R64-E125 IonicContact NH2-OE1 3.33Å; R64-E125 PolarHBondContact NH2-OE1 2.86Å; R64-E125 IonicContact NH2-OE2 2.63Å; I121-E125 HydrophobicContact CG2-CG 4.23Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.48Å; I121-E125 WeakPolarHBondContact O-CG 3.39Å; I121-E125 PolarHBondContact O-N 3.33Å; S122-E125 PolarHBondContact O-N 3.23Å; E125-M127 VanDerWaalsContact C-N 3.28Å; E125-M127 PolarHBondContact O-N 3.23Å; E125-L128 WeakPolarHBondContact O-CB 3.35Å; E125-L128 PolarHBondContact O-N 2.66Å; E125-L128 VanDerWaalsContact O-N 3.16Å; E125-E129 PolarHBondContact O-N 3.13Å
126D96.8Very high96.9Very high67 Ų6745.8 Ų45.836%0.35822%0.223SC..Hα-helixtrans-62.2-34.2173.9-68.6-19.7000112.2S122 L128 E129 R130S122-D126 WeakPolarHBondContact O-CB 3.41Å; S122-D126 PolarHBondContact O-N 3.46Å; D126-L128 VanDerWaalsContact C-N 3.34Å; D126-L128 PolarHBondContact O-N 3.14Å; D126-E129 PolarHBondContact O-N 3.03Å; D126-R130 VanDerWaalsContact O-CB 3.28Å; D126-R130 WeakPolarHBondContact O-CB 3.37Å; D126-R130 VanDerWaalsContact O-CG 3.22Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.09Å; D126-R130 PolarHBondContact O-NE 2.87Å
127M95.3Very high97Very high31 Ų3148.9 Ų48.915%0.15324%0.236CC..Hα-helixtrans-61.3-41.7175.2-178.9-171.9169.800111.8A52 I53 C56 A96 W123 I124 E125 D131A52-M127 HydrophobicContact CB-CE 3.87Å; I53-M127 HydrophobicContact CG1-CE 3.78Å; C56-M127 HydrophobicContact CB-SD 4.25Å; A96-M127 HydrophobicContact CB-CE 3.67Å; A96-M127 HydrophobicContact CB-SD 4.24Å; W123-M127 HydrophobicContact CH2-SD 4.34Å; W123-M127 HydrophobicContact CZ3-CB 4.3Å; W123-M127 HydrophobicContact CZ3-SD 3.9Å; W123-M127 PolarHBondContact O-N 3.35Å; I124-M127 WeakPolarHBondContact O-CB 3.48Å; I124-M127 PolarHBondContact O-N 2.93Å; E125-M127 VanDerWaalsContact C-N 3.28Å; E125-M127 PolarHBondContact O-N 3.23Å; M127-D131 PolarHBondContact O-N 3.48Å; M127-D131 VanDerWaalsContact O-N 3.11Å
128L95.8Very high97.1Very high31 Ų3146.9 Ų46.916%0.16223%0.228CC..Hα-helixtrans-62.9-48.3176172.667.7000111Y8 I53 L57 I124 E125 D126 D131 V132 A169Y8-L128 HydrophobicContact CD1-CD2 4.15Å; Y8-L128 HydrophobicContact CG-CD2 4.36Å; I53-L128 HydrophobicContact CG2-CB 4.39Å; I53-L128 HydrophobicContact CG2-CD1 3.67Å; L57-L128 HydrophobicContact CD1-CD1 4.38Å; L57-L128 HydrophobicContact CD1-CD2 4.24Å; I124-L128 PolarHBondContact O-N 2.9Å; E125-L128 WeakPolarHBondContact O-CB 3.35Å; E125-L128 PolarHBondContact O-N 2.66Å; E125-L128 VanDerWaalsContact O-N 3.16Å; D126-L128 VanDerWaalsContact C-N 3.34Å; D126-L128 PolarHBondContact O-N 3.14Å; L128-D131 PolarHBondContact O-N 3.01Å; L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 2.63Å; L128-A169 HydrophobicContact CD1-CB 3.56Å
129E95.5Very high97.2Very high137 Ų13742.5 Ų42.564%0.6421%0.205SC*.Hα-helixtrans-64.7-42.9-179.2-66.8-169.1175.800112.3E125 D126 V132 N133E125-E129 PolarHBondContact O-N 3.13Å; D126-E129 PolarHBondContact O-N 3.03Å; E129-V132 PolarHBondContact O-N 3.4Å; E129-N133 WeakPolarHBondContact O-CB 3.46Å; E129-N133 PolarHBondContact O-N 3.46Å
130R95.6Very high97.3Very high116 Ų11645.1 Ų45.144%0.43822%0.218SC..Hα-helixtrans-58.8-48.3176.1-76.5-175.3-62.3-137.51.5111.6D126 V132 N133 D134D126-R130 VanDerWaalsContact O-CB 3.28Å; D126-R130 WeakPolarHBondContact O-CB 3.37Å; D126-R130 VanDerWaalsContact O-CG 3.22Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.09Å; D126-R130 PolarHBondContact O-NE 2.87Å; R130-V132 VanDerWaalsContact C-N 3.34Å; R130-V132 PolarHBondContact O-N 3.34Å; R130-N133 PolarHBondContact O-N 2.87Å; R130-N133 VanDerWaalsContact O-N 3.17Å; R130-D134 WeakPolarHBondContact O-CB 3.47Å; R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 2.77Å
131D95.7Very high97.3Very high18 Ų1849.6 Ų49.610%0.09624%0.235CC..Hα-helixtrans-60.3-42.8179.6-169.280.9000111.7I53 M127 L128 N133 D134 N135 A169I53-D131 HydrophobicContact CD1-CB 3.53Å; M127-D131 PolarHBondContact O-N 3.48Å; M127-D131 VanDerWaalsContact O-N 3.11Å; L128-D131 PolarHBondContact O-N 3.01Å; D131-N133 PolarHBondContact O-N 3Å; D131-D134 PolarHBondContact O-N 3.41Å; D131-N135 VanDerWaalsContact O-CB 3.29Å; D131-N135 WeakPolarHBondContact O-CB 3.3Å; D131-N135 PolarHBondContact O-N 2.89Å; D131-N135 PolarHBondContact O-ND2 3.27Å; D131-N135 PolarHBondContact OD2-ND2 3.49Å; D131-A169 HydrophobicContact CB-CB 4.01Å; D131-A169 VanDerWaalsContact OD2-CB 3.28Å; D131-A169 WeakPolarHBondContact OD2-CB 3.17Å; D131-A169 PolarHBondContact OD2-N 3.14Å
132V95.9Very high97.4Very high36 Ų3649.5 Ų49.522%0.21823%0.234CC..Hα-helixtrans-62.6-43.7176.11750000111.5L128 E129 R130 R136 A169L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 2.63Å; E129-V132 PolarHBondContact O-N 3.4Å; R130-V132 VanDerWaalsContact C-N 3.34Å; R130-V132 PolarHBondContact O-N 3.34Å; V132-R136 WeakPolarHBondContact O-CG 3.29Å; V132-R136 PolarHBondContact O-N 3.31Å; V132-R136 VanDerWaalsContact O-N 3.14Å; V132-A169 HydrophobicContact CG2-CB 3.6Å
133N97.5Very high97.4Very high82 Ų8246.8 Ų46.844%0.43922%0.215SC..Hα-helixtrans-65-43.9178.9-17854.4000111.9E129 R130 D131 R136 K137E129-N133 WeakPolarHBondContact O-CB 3.46Å; E129-N133 PolarHBondContact O-N 3.46Å; R130-N133 PolarHBondContact O-N 2.87Å; R130-N133 VanDerWaalsContact O-N 3.17Å; D131-N133 PolarHBondContact O-N 3Å; N133-R136 WeakPolarHBondContact O-CB 3.43Å; N133-R136 PolarHBondContact O-N 2.86Å; N133-K137 VanDerWaalsContact ND2-CE 3.29Å; N133-K137 WeakPolarHBondContact ND2-CE 3.23Å; N133-K137 PolarHBondContact ND2-NZ 3.25Å; N133-K137 PolarHBondContact O-N 3.35Å
134D97.7Very high97.4Very high34 Ų3450.9 Ų50.918%0.18224%0.236CC..Hα-helixtrans-68.2-39.5-179.7-71.5-15.5000111.4R130 D131 R136 K137 I138 E333R130-D134 WeakPolarHBondContact O-CB 3.47Å; R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 2.77Å; D131-D134 PolarHBondContact O-N 3.41Å; D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 3.35Å; D134-K137 WeakPolarHBondContact O-CB 3.44Å; D134-K137 PolarHBondContact O-N 3.05Å; D134-K137 VanDerWaalsContact O-N 3.14Å; D134-K137 IonicContact OD1-NZ 2.83Å; D134-K137 PolarHBondContact OD1-NZ 2.71Å; D134-I138 VanDerWaalsContact O-CG1 3.3Å; D134-I138 WeakPolarHBondContact O-CG1 3.39Å; D134-I138 PolarHBondContact O-N 2.9Å; D134-E333 HydrophobicContact CB-CB 3.58Å; D134-E333 HydrophobicContact CB-CG 3.98Å
135N98.1Very high97.4Very high0 Ų054.3 Ų54.30%025%0.252CS..Hα-helixtrans-57.5-40170.3-73.1-34.8000112.3D131 G139 T168 G170 Y171 G172D131-N135 VanDerWaalsContact O-CB 3.29Å; D131-N135 WeakPolarHBondContact O-CB 3.3Å; D131-N135 PolarHBondContact O-N 2.89Å; D131-N135 PolarHBondContact O-ND2 3.27Å; D131-N135 PolarHBondContact OD2-ND2 3.49Å; N135-G139 PolarHBondContact O-N 2.98Å; N135-T168 VanDerWaalsContact ND2-CB 3.26Å; N135-T168 WeakPolarHBondContact ND2-CB 3.3Å; N135-T168 PolarHBondContact ND2-OG1 3.33Å; N135-G170 PolarHBondContact ND2-O 3.05Å; N135-Y171 WeakPolarHBondContact O-CD1 3.37Å; N135-G172 WeakPolarHBondContact CB-O 3.4Å
136R98.2Very high97.5Very high114 Ų11452.1 Ų52.143%0.4324%0.242SC..Hα-helixtrans-66.5-41.5174.9-71.1178.5-172-73.50.6112.3V132 N133 D134 G139 N140 Y171V132-R136 WeakPolarHBondContact O-CG 3.29Å; V132-R136 PolarHBondContact O-N 3.31Å; V132-R136 VanDerWaalsContact O-N 3.14Å; N133-R136 WeakPolarHBondContact O-CB 3.43Å; N133-R136 PolarHBondContact O-N 2.86Å; D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 3.35Å; R136-G139 PolarHBondContact O-N 3.14Å; R136-N140 WeakPolarHBondContact O-CB 3.37Å; R136-N140 PolarHBondContact O-N 2.68Å; R136-N140 PolarHBondContact O-ND2 2.96Å; R136-Y171 HydrophobicContact CB-CD1 4.37Å; R136-Y171 HydrophobicContact CB-CE1 4.47Å; R136-Y171 HydrophobicContact CG-CD1 3.91Å; R136-Y171 HydrophobicContact CG-CD2 4.09Å; R136-Y171 HydrophobicContact CG-CE1 4.24Å; R136-Y171 HydrophobicContact CG-CE2 4.42Å; R136-Y171 HydrophobicContact CG-CG 3.8Å
137K98.6Very high97.5Very high68 Ų6850.2 Ų50.230%0.29623%0.231SC..Hα-helixtrans-61.3-47.6174.8-70.2176.8-166.6154.30111.2N133 D134 G139 N140 Y141 E333N133-K137 VanDerWaalsContact ND2-CE 3.29Å; N133-K137 WeakPolarHBondContact ND2-CE 3.23Å; N133-K137 PolarHBondContact ND2-NZ 3.25Å; N133-K137 PolarHBondContact O-N 3.35Å; D134-K137 WeakPolarHBondContact O-CB 3.44Å; D134-K137 PolarHBondContact O-N 3.05Å; D134-K137 VanDerWaalsContact O-N 3.14Å; D134-K137 IonicContact OD1-NZ 2.83Å; D134-K137 PolarHBondContact OD1-NZ 2.71Å; K137-G139 VanDerWaalsContact C-N 3.3Å; K137-G139 PolarHBondContact O-N 2.87Å; K137-N140 PolarHBondContact O-N 3.15Å; K137-N140 VanDerWaalsContact O-N 3.13Å; K137-Y141 HydrophobicContact CB-CD2 4.07Å; K137-Y141 HydrophobicContact CB-CE2 3.89Å; K137-Y141 HydrophobicContact CG-CE2 4.4Å; K137-Y141 WeakPolarHBondContact O-CB 3.36Å; K137-Y141 VanDerWaalsContact O-CD2 3.22Å; K137-Y141 WeakPolarHBondContact O-CD2 3.43Å; K137-Y141 PolarHBondContact O-N 2.94Å; K137-E333 HydrophobicContact CB-CB 4.19Å; K137-E333 HydrophobicContact CD-CB 4.18Å; K137-E333 WeakPolarHBondContact CD-O 3.43Å
138I98.8Very high97.6Very high0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-52.8-50.5174.5-71164.9000110D134 N140 G142 T173 A272 P274 I331 E333D134-I138 VanDerWaalsContact O-CG1 3.3Å; D134-I138 WeakPolarHBondContact O-CG1 3.39Å; D134-I138 PolarHBondContact O-N 2.9Å; I138-N140 VanDerWaalsContact C-N 3.34Å; I138-N140 PolarHBondContact O-N 3.25Å; I138-G142 PolarHBondContact O-N 3.38Å; I138-T173 HydrophobicContact CD1-CG2 4.13Å; I138-A272 HydrophobicContact CG2-CB 3.92Å; I138-P274 HydrophobicContact CD1-CB 3.96Å; I138-I331 HydrophobicContact CB-CG2 4.48Å; I138-I331 HydrophobicContact CG2-CG2 3.89Å; I138-I331 WeakPolarHBondContact O-CG2 3.44Å; I138-E333 HydrophobicContact CG1-CB 4.29Å
139G98.7Very high97.3Very high0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-57.2-47.317800000112.9N135 R136 K137 A143 S180N135-G139 PolarHBondContact O-N 2.98Å; R136-G139 PolarHBondContact O-N 3.14Å; K137-G139 VanDerWaalsContact C-N 3.3Å; K137-G139 PolarHBondContact O-N 2.87Å; G139-A143 WeakPolarHBondContact O-CB 3.29Å; G139-A143 PolarHBondContact O-N 3.27Å; G139-S180 WeakPolarHBondContact CA-OG 3.24Å; G139-S180 WeakPolarHBondContact O-CB 3.34Å; G139-S180 PolarHBondContact O-OG 3.26Å
140N98.7Very high97Very high74 Ų7449.1 Ų49.140%0.39625%0.253SS..Hα-helixtrans-69.5-48.2-176.8-69.3-20.5000112.8R136 K137 I138 A143 Q144 S180R136-N140 WeakPolarHBondContact O-CB 3.37Å; R136-N140 PolarHBondContact O-N 2.68Å; R136-N140 PolarHBondContact O-ND2 2.96Å; K137-N140 PolarHBondContact O-N 3.15Å; K137-N140 VanDerWaalsContact O-N 3.13Å; I138-N140 VanDerWaalsContact C-N 3.34Å; I138-N140 PolarHBondContact O-N 3.25Å; N140-A143 PolarHBondContact O-N 3.19Å; N140-Q144 WeakPolarHBondContact O-CB 3.23Å; N140-Q144 VanDerWaalsContact O-CG 3.25Å; N140-Q144 WeakPolarHBondContact O-CG 3.25Å; N140-Q144 PolarHBondContact O-N 3.48Å; N140-S180 PolarHBondContact N-OG 3.31Å; N140-S180 PolarHBondContact OD1-OG 3.49Å
141Y98.8Very high96.5Very high93 Ų9349.9 Ų49.937%0.36527%0.273SS..Hα-helixtrans-62.9-44177.6-69.4-47.6000111.3K137 A143 Q144 H145 E333K137-Y141 HydrophobicContact CB-CD2 4.07Å; K137-Y141 HydrophobicContact CB-CE2 3.89Å; K137-Y141 HydrophobicContact CG-CE2 4.4Å; K137-Y141 WeakPolarHBondContact O-CB 3.36Å; K137-Y141 VanDerWaalsContact O-CD2 3.22Å; K137-Y141 WeakPolarHBondContact O-CD2 3.43Å; K137-Y141 PolarHBondContact O-N 2.94Å; Y141-A143 PolarHBondContact O-N 2.91Å; Y141-Q144 PolarHBondContact O-N 3.22Å; Y141-H145 WeakPolarHBondContact O-CB 3.46Å; Y141-H145 PolarHBondContact O-N 3.45Å; Y141-E333 WeakPolarHBondContact CE2-O 3.23Å
142G98.7Very high96Very high0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-60.5-46.2175.500000112.6I138 H145 I146I138-G142 PolarHBondContact O-N 3.38Å; G142-H145 PolarHBondContact O-N 3.48Å; G142-I146 WeakPolarHBondContact O-CB 3.34Å; G142-I146 WeakPolarHBondContact O-CD1 3.45Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.32Å; G142-I146 PolarHBondContact O-N 3.12Å
143A98.6Very high95.7Very high0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-63.5-45.3178.700000111.9G139 N140 Y141 I146 L147 V177 L181G139-A143 WeakPolarHBondContact O-CB 3.29Å; G139-A143 PolarHBondContact O-N 3.27Å; N140-A143 PolarHBondContact O-N 3.19Å; Y141-A143 PolarHBondContact O-N 2.91Å; A143-I146 PolarHBondContact O-N 2.84Å; A143-L147 WeakPolarHBondContact O-CB 3.38Å; A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.17Å; A143-V177 HydrophobicContact CB-CG1 4.49Å; A143-L181 HydrophobicContact CB-CD2 3.77Å; A143-L181 HydrophobicContact CB-CG 3.79Å
144Q98.2Very high95.6Very high119 Ų11957.6 Ų57.656%0.55631%0.308SS*.Hα-helixtrans-61.1-45.6177.9-73.8172.20.400111.7N140 Y141 L147 S148N140-Q144 WeakPolarHBondContact O-CB 3.23Å; N140-Q144 VanDerWaalsContact O-CG 3.25Å; N140-Q144 WeakPolarHBondContact O-CG 3.25Å; N140-Q144 PolarHBondContact O-N 3.48Å; Y141-Q144 PolarHBondContact O-N 3.22Å; Q144-L147 PolarHBondContact O-N 3.12Å; Q144-S148 PolarHBondContact O-N 3.47Å
145H98.3Very high95.7Very high73 Ų7356 Ų5634%0.33830%0.299SS..Hα-helixtrans-67.8-38.8179.8-171.4-72.9000112.8Y141 G142 L147 S148 G149 Y270 V336Y141-H145 WeakPolarHBondContact O-CB 3.46Å; Y141-H145 PolarHBondContact O-N 3.45Å; G142-H145 PolarHBondContact O-N 3.48Å; H145-L147 VanDerWaalsContact C-N 3.33Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.82Å; H145-G149 PolarHBondContact O-N 3.42Å; H145-Y270 AromaticContact CE1-CE1 3.99Å; H145-Y270 AromaticContact ND1-CE1 3.51Å; H145-Y270 AromaticContact ND1-CZ 3.73Å; H145-Y270 PolarHBondContact ND1-OH 2.61Å; H145-Y270 VanDerWaalsContact ND1-OH 3.13Å; H145-V336 HydrophobicContact CB-CB 4.26Å; H145-V336 HydrophobicContact CB-CG1 4.44Å; H145-V336 HydrophobicContact CB-CG2 3.7Å
146I98.1Very high95.7Very high2 Ų256.1 Ų56.11%0.0130%0.3CS..Hα-helixtrans-63.3-42.9174.2-72.1166.8000110.3G142 A143 G149 V150 V155 V177 A235 V237 Y270G142-I146 WeakPolarHBondContact O-CB 3.34Å; G142-I146 WeakPolarHBondContact O-CD1 3.45Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.32Å; G142-I146 PolarHBondContact O-N 3.12Å; A143-I146 PolarHBondContact O-N 2.84Å; I146-G149 PolarHBondContact O-N 3.05Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.67Å; I146-V155 HydrophobicContact CG2-CG1 4.12Å; I146-V177 HydrophobicContact CD1-CG1 3.7Å; I146-A235 HydrophobicContact CD1-CB 4.24Å; I146-A235 HydrophobicContact CG1-CB 4.32Å; I146-A235 HydrophobicContact CG2-CB 4.08Å; I146-V237 HydrophobicContact CD1-CG2 3.57Å; I146-Y270 HydrophobicContact CD1-CD2 4.27Å; I146-Y270 HydrophobicContact CD1-CE2 4.33Å; I146-Y270 HydrophobicContact CG1-CD2 4.06Å; I146-Y270 HydrophobicContact CG1-CE1 4.34Å; I146-Y270 HydrophobicContact CG1-CE2 3.64Å
147L97.7Very high95.7Very high27 Ų2750.7 Ų50.714%0.14128%0.28CS..Hα-helixtrans-70-31.4-179.1-69.5172.6000113.1A143 Q144 H145 G149 V150 V155 L181 L184 R186A143-L147 WeakPolarHBondContact O-CB 3.38Å; A143-L147 WeakPolarHBondContact O-CG 3.39Å; A143-L147 PolarHBondContact O-N 3.17Å; Q144-L147 PolarHBondContact O-N 3.12Å; H145-L147 VanDerWaalsContact C-N 3.33Å; L147-G149 VanDerWaalsContact C-N 3.31Å; L147-V150 PolarHBondContact O-N 3.25Å; L147-V155 HydrophobicContact CD2-CG1 3.9Å; L147-V155 HydrophobicContact CD2-CG2 4.3Å; L147-L181 HydrophobicContact CD1-CD2 3.86Å; L147-L181 HydrophobicContact CD2-CD2 3.93Å; L147-L181 HydrophobicContact CG-CD2 3.71Å; L147-L184 HydrophobicContact CD1-CD1 4.09Å; L147-R186 HydrophobicContact CD1-CB 4.16Å; L147-R186 HydrophobicContact CD1-CG 4.05Å; L147-R186 HydrophobicContact CD2-CB 3.85Å; L147-R186 HydrophobicContact CD2-CG 4.32Å
148S95.9Very high95.7Very high96 Ų9647.5 Ų47.567%0.67127%0.266SS*.Hα-helixtrans-70.2-29.5175.967.50000112.4Q144 H145Q144-S148 PolarHBondContact O-N 3.47Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.82Å
149G91.1Very high95.8Very high59 Ų5947.5 Ų47.561%0.60827%0.266SS*.Hα-helixtrans-83.4-9.6177.600000115.1H145 I146 L147H145-G149 PolarHBondContact O-N 3.42Å; I146-G149 PolarHBondContact O-N 3.05Å; L147-G149 VanDerWaalsContact C-N 3.31Å
150V88.7Confident95.8Very high21 Ų2147.5 Ų47.513%0.12727%0.266CS..  trans-119.5112.8-176-178.10000110.4I146 L147 R152 V155 T234I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.67Å; L147-V150 PolarHBondContact O-N 3.25Å; V150-R152 HydrophobicContact CG1-CB 3.8Å; V150-R152 HydrophobicContact CG1-CG 3.74Å; V150-R152 PolarHBondContact O-N 3.41Å; V150-V155 HydrophobicContact CB-CG1 4.11Å; V150-V155 HydrophobicContact CG1-CG1 4.09Å; V150-V155 HydrophobicContact CG2-CG1 4.21Å; V150-T234 HydrophobicContact CG1-CG2 4.29Å
151P84.4Confident95.7Very high131 Ų13144.6 Ų44.685%0.85125%0.251SS*.  trans-79.352.4-179.335-37.2000111.6
152R85.9Confident95.7Very high109 Ų10940.9 Ų40.941%0.41124%0.237SC..SBendtrans-139.6152.7-176-55178.8178.9-177.5-3.2111.7V150 S154 R186 D232V150-R152 HydrophobicContact CG1-CB 3.8Å; V150-R152 HydrophobicContact CG1-CG 3.74Å; V150-R152 PolarHBondContact O-N 3.41Å; R152-S154 PolarHBondContact O-N 3.22Å; R152-R186 PolarHBondContact O-NH2 2.98Å; R152-D232 IonicContact CZ-OD1 2.79Å; R152-D232 IonicContact CZ-OD2 3.31Å; R152-D232 IonicContact NH1-OD1 3.64Å; R152-D232 PolarHBondContact NH1-OD1 3.32Å; R152-D232 IonicContact NH1-OD2 3.49Å; R152-D232 PolarHBondContact NH1-OD2 3.22Å; R152-D232 IonicContact NH2-OD1 3.58Å; R152-D232 PolarHBondContact NH2-OD1 2.92Å; R152-D232 VanDerWaalsContact NH2-OD1 3.1Å
153D89.6Confident95.6Very high147 Ų14741.3 Ų41.379%0.78624%0.24SC*.SBendtrans-69.3-17178-63.5-30000113.5R186D153-R186 WeakPolarHBondContact O-CD 3.24Å; D153-R186 PolarHBondContact O-NE 2.85Å
154S95.9Very high95.6Very high42 Ų4241.3 Ų41.329%0.29424%0.24SC..  trans-152158.5174.958.30000112R152 R186R152-S154 PolarHBondContact O-N 3.22Å; S154-R186 CarbonylContact C-O 3.54Å; S154-R186 WeakPolarHBondContact CA-O 3.45Å; S154-R186 VanDerWaalsContact CB-O 3.3Å; S154-R186 WeakPolarHBondContact CB-O 3.49Å
155V98.3Very high95.5Very high0 Ų035.7 Ų35.70%021%0.214CC..EExtended strand (participates in β ladder)trans-118.2149.4-177.9-67.40000111.3I146 L147 V150 V157 L181 R186 K188 T234I146-V155 HydrophobicContact CG2-CG1 4.12Å; L147-V155 HydrophobicContact CD2-CG1 3.9Å; L147-V155 HydrophobicContact CD2-CG2 4.3Å; V150-V155 HydrophobicContact CB-CG1 4.11Å; V150-V155 HydrophobicContact CG1-CG1 4.09Å; V150-V155 HydrophobicContact CG2-CG1 4.21Å; V155-V157 HydrophobicContact CG2-CG2 4.36Å; V155-L181 HydrophobicContact CG2-CD1 3.76Å; V155-L181 HydrophobicContact CG2-CD2 3.74Å; V155-L181 HydrophobicContact CG2-CG 4.23Å; V155-R186 WeakPolarHBondContact CG2-O 3.25Å; V155-R186 PolarHBondContact N-O 3.16Å; V155-K188 WeakPolarHBondContact O-CB 3.47Å; V155-K188 PolarHBondContact O-N 3.28Å; V155-T234 WeakPolarHBondContact CA-OG1 3.46Å; V155-T234 VanDerWaalsContact CB-OG1 3.25Å; V155-T234 WeakPolarHBondContact CB-OG1 3.21Å
156T98.7Very high95.3Very high4 Ų432.2 Ų32.23%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-115.1115.5173.7-48.20000107.8R189 Y191 D232 I233 T234T156-R189 WeakPolarHBondContact CA-O 3.5Å; T156-R189 HydrophobicContact CG2-CB 3.97Å; T156-Y191 HydrophobicContact CG2-CD2 3.82Å; T156-Y191 HydrophobicContact CG2-CE2 3.57Å; T156-D232 VanDerWaalsContact CB-O 3.28Å; T156-D232 WeakPolarHBondContact CB-O 3.41Å; T156-D232 PolarHBondContact OG1-O 3.43Å; T156-I233 HydrophobicContact CG2-CD1 3.66Å; T156-T234 PolarHBondContact N-OG1 3.17Å; T156-T234 PolarHBondContact O-N 3.38Å; T156-T234 PolarHBondContact O-OG1 3.28Å; T156-T234 VanDerWaalsContact O-OG1 3.05Å
157V98.8Very high95.2Very high0 Ų032.5 Ų32.50%020%0.201CC..EExtended strand (participates in β ladder)trans-103.3143.3-174177.50000110.2V155 V178 L181 L187 R189 V190 Y191 A235 V237V155-V157 HydrophobicContact CG2-CG2 4.36Å; V157-V178 HydrophobicContact CB-CG2 4.47Å; V157-V178 HydrophobicContact CG1-CG2 4.02Å; V157-L181 HydrophobicContact CG2-CD1 3.71Å; V157-L187 HydrophobicContact CB-CD1 4.38Å; V157-L187 HydrophobicContact CG2-CD1 4.07Å; V157-R189 PolarHBondContact N-O 3.35Å; V157-V190 CarbonylContact O-C 3.52Å; V157-V190 VanDerWaalsContact O-CA 3.29Å; V157-V190 WeakPolarHBondContact O-CA 2.92Å; V157-Y191 PolarHBondContact O-N 2.87Å; V157-A235 WeakPolarHBondContact CA-O 3.46Å; V157-V237 HydrophobicContact CG1-CB 4.27Å; V157-V237 HydrophobicContact CG1-CG2 3.87Å
158L98.9Very high95.1Very high0 Ų031.4 Ų31.40%020%0.195CC..EExtended strand (participates in β ladder)trans-110.8136.4164.6-174.1153.8000109.6Y191 I219 A224 T227 M228 I233 A235 V236 V237 L258L158-Y191 CarbonylContact C-O 3.52Å; L158-Y191 WeakPolarHBondContact CA-O 3.36Å; L158-I219 HydrophobicContact CD1-CD1 4.23Å; L158-A224 HydrophobicContact CD1-CB 4.49Å; L158-T227 HydrophobicContact CD1-CG2 4.15Å; L158-M228 HydrophobicContact CD1-CE 4.22Å; L158-M228 HydrophobicContact CD1-CG 4.4Å; L158-M228 HydrophobicContact CD2-CE 4.4Å; L158-I233 HydrophobicContact CB-CD1 4.25Å; L158-I233 HydrophobicContact CB-CG2 3.97Å; L158-A235 PolarHBondContact N-O 3.32Å; L158-V236 HydrophobicContact CB-CG2 4.34Å; L158-V236 HydrophobicContact CD2-CG1 4.15Å; L158-V236 HydrophobicContact CD2-CG2 4.48Å; L158-V236 WeakPolarHBondContact O-CA 3.26Å; L158-V237 PolarHBondContact O-N 2.74Å; L158-L258 HydrophobicContact CD2-CD2 3.43Å; L158-L258 VanDerWaalsContact CD2-CD2 3.43Å; L158-L258 HydrophobicContact CD2-CG 4.13Å
159T98.9Very high95Very high0 Ų027.2 Ų27.20%017%0.167CC..EExtended strand (participates in β ladder)trans-133.7169.8178.5-161.70000112.4V190 Y191 C192 T193 T205 V237T159-V190 HydrophobicContact CG2-CG2 3.9Å; T159-Y191 PolarHBondContact N-O 3.28Å; T159-C192 HydrophobicContact CG2-CB 4.05Å; T159-T193 PolarHBondContact O-N 3.21Å; T159-T193 PolarHBondContact O-OG1 3.45Å; T159-T205 HydrophobicContact CG2-CG2 4.23Å; T159-V237 WeakPolarHBondContact CA-O 3.38Å; T159-V237 VanDerWaalsContact CB-O 3.31Å; T159-V237 WeakPolarHBondContact CB-O 3.39Å; T159-V237 PolarHBondContact OG1-O 2.87Å
160H98.9Very high95.1Very high0 Ų024.9 Ų24.90%014%0.142CC..  trans-143.5148.8-172.9-171.762.1000111.9T193 T195 D221 V238 V253 T255 L258H160-T193 WeakPolarHBondContact CA-OG1 3.44Å; H160-T193 PolarHBondContact ND1-OG1 3.3Å; H160-T195 PolarHBondContact ND1-OG1 3.03Å; H160-D221 IonicContact CE1-OD1 3.4Å; H160-D221 IonicContact ND1-OD1 2.66Å; H160-V238 HydrophobicContact CB-CG1 4.02Å; H160-V253 PolarHBondContact NE2-O 2.9Å; H160-T255 PolarHBondContact CD2-OG1 3.49Å; H160-L258 HydrophobicContact CB-CD2 3.66Å
161C97.8Very high95.5Very high13 Ų1325 Ų259%0.08814%0.14CC..SBendtrans57.6-152.2-172-161.40000112T195 T205 K252C161-T195 VanDerWaalsContact CA-OG1 3.28Å; C161-T195 WeakPolarHBondContact CA-OG1 3.41Å; C161-T195 HydrophobicContact CB-CG2 3.9Å; C161-T195 PolarHBondContact N-OG1 3.33Å; C161-T205 PolarHBondContact O-OG1 2.87Å; C161-K252 HydrophobicContact CB-CB 3.79Å; C161-K252 HydrophobicContact CB-CG 3.94Å
162N98.1Very high96.1Very high15 Ų1518.8 Ų18.88%0.0810%0.1CC..  trans-124.3124.2171.8179.6-103.8000110.1L166 A167 Q200 L204 T205 E208N162-L166 WeakPolarHBondContact OD1-CB 3.5Å; N162-A167 WeakPolarHBondContact O-CB 3.44Å; N162-Q200 HydrophobicContact CB-CB 3.91Å; N162-L204 HydrophobicContact CB-CB 3.86Å; N162-L204 HydrophobicContact CB-CD1 4.15Å; N162-T205 VanDerWaalsContact CA-OG1 3.23Å; N162-T205 WeakPolarHBondContact CA-OG1 3.22Å; N162-T205 WeakPolarHBondContact CB-OG1 3.39Å; N162-T205 PolarHBondContact ND2-N 2.77Å; N162-T205 PolarHBondContact ND2-OG1 2.92Å; N162-T205 VanDerWaalsContact ND2-OG1 3.08Å; N162-E208 PolarHBondContact ND2-OE1 3.45Å
163T97.4Very high96.7Very high10 Ų1014 Ų146%0.0618%0.083CC..  trans-135.923.5-174.6540000110.1G172 T173 A174 L175T163-G172 CarbonylContact O-C 3.47Å; T163-G172 WeakPolarHBondContact O-CA 3.47Å; T163-T173 PolarHBondContact O-N 2.92Å; T163-A174 HydrophobicContact CG2-CB 4.34Å; T163-A174 WeakPolarHBondContact OG1-CB 3.31Å; T163-L175 PolarHBondContact OG1-N 3.21Å; T163-L175 VanDerWaalsContact OG1-N 3.12Å
164G97.3Very high97.2Very high0 Ų07 Ų70%05%0.046CC..SBendtrans-90.4-159.2-177.600000113.1L166 A167 T168 G172 R179 E208G164-L166 PolarHBondContact O-N 3.36Å; G164-A167 PolarHBondContact O-N 3.48Å; G164-T168 PolarHBondContact O-N 2.95Å; G164-T168 PolarHBondContact O-OG1 3.13Å; G164-G172 WeakPolarHBondContact O-CA 3.45Å; G164-R179 VanDerWaalsContact CA-NH1 3.34Å; G164-E208 WeakPolarHBondContact CA-OE1 3.31Å; G164-E208 VanDerWaalsContact CA-OE2 3.24Å; G164-E208 WeakPolarHBondContact CA-OE2 3.45Å
165S95.9Very high97.3Very high0 Ų05.1 Ų5.10%03%0.032CC..THydrogen-bonded Turntrans-69-15.8175.359.60000111.9L3 A5 R179 E208L3-S165 WeakPolarHBondContact O-CB 3.28Å; L3-S165 PolarHBondContact O-OG 3.32Å; A5-S165 WeakPolarHBondContact CB-O 3.37Å; S165-R179 VanDerWaalsContact N-NH1 3.19Å; S165-E208 PolarHBondContact N-OE2 3.25Å; S165-E208 PolarHBondContact OG-OE2 2.96Å
166L95.9Very high97.3Very high0 Ų05.1 Ų5.10%03%0.032CC..THydrogen-bonded Turntrans-75.8-9.6169.4-60.7-178.4000113.5L3 A5 L16 Q18 L21 N162 G164 L204 Y207 E208L3-L166 HydrophobicContact CD2-CD1 4.1Å; L3-L166 HydrophobicContact CD2-CD2 3.59Å; L3-L166 HydrophobicContact CD2-CG 3.94Å; L3-L166 HydrophobicContact CG-CD2 4.37Å; A5-L166 HydrophobicContact CB-CD2 3.93Å; L16-L166 HydrophobicContact CD2-CD2 3.57Å; Q18-L166 PolarHBondContact NE2-O 3.36Å; L21-L166 HydrophobicContact CD1-CD1 3.73Å; L21-L166 HydrophobicContact CD1-CD2 4.23Å; N162-L166 WeakPolarHBondContact OD1-CB 3.5Å; G164-L166 PolarHBondContact O-N 3.36Å; L166-L204 HydrophobicContact CD1-CB 3.85Å; L166-L204 HydrophobicContact CD1-CD2 4.1Å; L166-L204 HydrophobicContact CD1-CG 4.49Å; L166-Y207 HydrophobicContact CD1-CD1 4.37Å; L166-E208 WeakPolarHBondContact CB-OE1 3.29Å; L166-E208 HydrophobicContact CD1-CG 3.72Å; L166-E208 HydrophobicContact CG-CG 3.83Å; L166-E208 WeakPolarHBondContact CG-OE1 3.47Å
167A95.1Very high97.3Very high9 Ų94.9 Ų4.97%0.0743%0.031CC..THydrogen-bonded Turntrans-116.3-6.8179.100000113.9G47 N162 G164G47-A167 WeakPolarHBondContact CA-O 3.47Å; N162-A167 WeakPolarHBondContact O-CB 3.44Å; G164-A167 PolarHBondContact O-N 3.48Å
168T95.4Very high97.3Very high3 Ų34.9 Ų4.92%0.0183%0.031CC..SBendtrans-134.4-174.1-178.573.50000111.2P49 N135 G164 G170 G172 T173P49-T168 HydrophobicContact CG-CG2 4.33Å; N135-T168 VanDerWaalsContact ND2-CB 3.26Å; N135-T168 WeakPolarHBondContact ND2-CB 3.3Å; N135-T168 PolarHBondContact ND2-OG1 3.33Å; G164-T168 PolarHBondContact O-N 2.95Å; G164-T168 PolarHBondContact O-OG1 3.13Å; T168-G170 PolarHBondContact O-N 2.94Å; T168-G170 PolarHBondContact OG1-N 2.9Å; T168-G170 VanDerWaalsContact OG1-N 3.16Å; T168-G170 PolarHBondContact OG1-O 3.29Å; T168-G172 WeakPolarHBondContact OG1-CA 3.15Å; T168-G172 PolarHBondContact OG1-N 3.48Å; T168-T173 HydrophobicContact CG2-CG2 4.36Å
169A93.3Very high97.3Very high9 Ų95.5 Ų5.57%0.0743%0.033CC..SBendtrans-61.1-25169.700000113.7I53 L128 D131 V132I53-A169 HydrophobicContact CD1-CB 3.54Å; L128-A169 HydrophobicContact CD1-CB 3.56Å; D131-A169 HydrophobicContact CB-CB 4.01Å; D131-A169 VanDerWaalsContact OD2-CB 3.28Å; D131-A169 WeakPolarHBondContact OD2-CB 3.17Å; D131-A169 PolarHBondContact OD2-N 3.14Å; V132-A169 HydrophobicContact CG2-CB 3.6Å
170G94.6Very high97.3Very high9 Ų95.7 Ų5.79%0.0933%0.034CC..SBendtrans163.2161.6-174.600000110.5N135 T168 G172N135-G170 PolarHBondContact ND2-O 3.05Å; T168-G170 PolarHBondContact O-N 2.94Å; T168-G170 PolarHBondContact OG1-N 2.9Å; T168-G170 VanDerWaalsContact OG1-N 3.16Å; T168-G170 PolarHBondContact OG1-O 3.29Å; G170-G172 PolarHBondContact O-N 2.86Å
171Y96.9Very high97.3Very high24 Ų245.7 Ų5.79%0.0943%0.034CC..SBendtrans64.8-41.1-179-156.6-102.1000116.4N135 R136 G176 R179 S180N135-Y171 WeakPolarHBondContact O-CD1 3.37Å; R136-Y171 HydrophobicContact CB-CD1 4.37Å; R136-Y171 HydrophobicContact CB-CE1 4.47Å; R136-Y171 HydrophobicContact CG-CD1 3.91Å; R136-Y171 HydrophobicContact CG-CD2 4.09Å; R136-Y171 HydrophobicContact CG-CE1 4.24Å; R136-Y171 HydrophobicContact CG-CE2 4.42Å; R136-Y171 HydrophobicContact CG-CG 3.8Å; Y171-G176 WeakPolarHBondContact CE1-O 3.21Å; Y171-G176 WeakPolarHBondContact O-CA 3.46Å; Y171-R179 HydrophobicContact CE2-CB 4.07Å; Y171-R179 VanDerWaalsContact O-CD 3.27Å; Y171-R179 WeakPolarHBondContact O-CD 3.32Å; Y171-R179 PolarHBondContact O-NH1 2.68Å; Y171-S180 PolarHBondContact OH-N 2.92Å; Y171-S180 PolarHBondContact OH-OG 2.75Å
172G97.2Very high97.3Very high0 Ų08.2 Ų8.20%05%0.045CC..  trans82.6175.9179.700000114.6N135 T163 G164 T168 G170 G176N135-G172 WeakPolarHBondContact CB-O 3.4Å; T163-G172 CarbonylContact O-C 3.47Å; T163-G172 WeakPolarHBondContact O-CA 3.47Å; G164-G172 WeakPolarHBondContact O-CA 3.45Å; T168-G172 WeakPolarHBondContact OG1-CA 3.15Å; T168-G172 PolarHBondContact OG1-N 3.48Å; G170-G172 PolarHBondContact O-N 2.86Å; G172-G176 WeakPolarHBondContact O-CA 3.39Å
173T98.3Very high97.3Very high10 Ų1010.9 Ų10.96%0.0618%0.076CC..SBendtrans-98.8-86.4-179.459.80000111I138 T163 T168 L175 G176 V177 A272I138-T173 HydrophobicContact CD1-CG2 4.13Å; T163-T173 PolarHBondContact O-N 2.92Å; T168-T173 HydrophobicContact CG2-CG2 4.36Å; T173-L175 PolarHBondContact O-N 3.46Å; T173-G176 CarbonylContact O-C 3.58Å; T173-G176 WeakPolarHBondContact O-CA 3.22Å; T173-G176 PolarHBondContact O-N 3.12Å; T173-V177 PolarHBondContact O-N 2.77Å; T173-A272 VanDerWaalsContact CB-O 3.32Å; T173-A272 WeakPolarHBondContact CB-O 3.43Å; T173-A272 PolarHBondContact OG1-O 2.57Å
174A98.7Very high97.3Very high0 Ų015.3 Ų15.30%010%0.098CC..Hα-helixtrans-65.4-40178.700000112.1T163 G176 V177 V178 V237 V238 A272T163-A174 HydrophobicContact CG2-CB 4.34Å; T163-A174 WeakPolarHBondContact OG1-CB 3.31Å; A174-G176 PolarHBondContact O-N 2.91Å; A174-V177 WeakPolarHBondContact O-CB 3.32Å; A174-V177 PolarHBondContact O-N 3.18Å; A174-V178 PolarHBondContact O-N 3.36Å; A174-V178 VanDerWaalsContact O-N 3.17Å; A174-V237 HydrophobicContact CB-CB 4.33Å; A174-V237 HydrophobicContact CB-CG1 3.7Å; A174-V238 VanDerWaalsContact CB-C 3.47Å; A174-A272 HydrophobicContact CB-CB 4.08Å
175L98.6Very high97.3Very high1 Ų118.3 Ų18.31%0.00513%0.13CC..Hα-helixtrans-70.6-23.5170.1-162.566.6000111.9T163 T173 V178 R179 T205 E208T163-L175 PolarHBondContact OG1-N 3.21Å; T163-L175 VanDerWaalsContact OG1-N 3.12Å; T173-L175 PolarHBondContact O-N 3.46Å; L175-V178 HydrophobicContact CD1-CB 4.1Å; L175-V178 HydrophobicContact CD1-CG1 4.22Å; L175-V178 HydrophobicContact CD1-CG2 4.41Å; L175-V178 WeakPolarHBondContact O-CB 3.12Å; L175-V178 PolarHBondContact O-N 3.26Å; L175-R179 WeakPolarHBondContact O-CB 3.35Å; L175-R179 VanDerWaalsContact O-CG 3.29Å; L175-R179 WeakPolarHBondContact O-CG 3.44Å; L175-R179 PolarHBondContact O-N 2.89Å; L175-T205 HydrophobicContact CD1-CG2 4.06Å; L175-T205 HydrophobicContact CD2-CG2 4.4Å; L175-E208 HydrophobicContact CD2-CB 3.89Å; L175-E208 HydrophobicContact CD2-CG 4.45Å
176G98.6Very high97.4Very high0 Ų022 Ų220%014%0.144CC..Hα-helixtrans-61.9-42.1167.300000112.3Y171 G172 T173 A174 V178 R179 S180Y171-G176 WeakPolarHBondContact CE1-O 3.21Å; Y171-G176 WeakPolarHBondContact O-CA 3.46Å; G172-G176 WeakPolarHBondContact O-CA 3.39Å; T173-G176 CarbonylContact O-C 3.58Å; T173-G176 WeakPolarHBondContact O-CA 3.22Å; T173-G176 PolarHBondContact O-N 3.12Å; A174-G176 PolarHBondContact O-N 2.91Å; G176-V178 VanDerWaalsContact C-N 3.35Å; G176-V178 PolarHBondContact O-N 2.93Å; G176-R179 WeakPolarHBondContact O-CB 3.41Å; G176-R179 PolarHBondContact O-N 2.89Å; G176-S180 PolarHBondContact O-N 2.85Å; G176-S180 PolarHBondContact O-OG 2.79Å
177V98.9Very high97.6Very high0 Ų022.7 Ų22.70%015%0.147CC..Hα-helixtrans-61.3-44.2172.81760000111A143 I146 T173 A174 R179 S180 L181 V237 A272 I331A143-V177 HydrophobicContact CB-CG1 4.49Å; I146-V177 HydrophobicContact CD1-CG1 3.7Å; T173-V177 PolarHBondContact O-N 2.77Å; A174-V177 WeakPolarHBondContact O-CB 3.32Å; A174-V177 PolarHBondContact O-N 3.18Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 3.29Å; V177-S180 PolarHBondContact O-N 2.62Å; V177-L181 HydrophobicContact CG1-CD1 4.17Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 3.27Å; V177-V237 HydrophobicContact CB-CG1 4.34Å; V177-V237 HydrophobicContact CG1-CG2 4.49Å; V177-V237 HydrophobicContact CG2-CG1 4.33Å; V177-A272 HydrophobicContact CG2-CB 4.48Å; V177-I331 HydrophobicContact CG2-CD1 4.14Å
178V98.8Very high97.7Very high0 Ų027.1 Ų27.10%017%0.165CC..Hα-helixtrans-60.7-42.31751750000111.2V157 A174 L175 G176 L181 H182 L187 V190 I214V157-V178 HydrophobicContact CB-CG2 4.47Å; V157-V178 HydrophobicContact CG1-CG2 4.02Å; A174-V178 PolarHBondContact O-N 3.36Å; A174-V178 VanDerWaalsContact O-N 3.17Å; L175-V178 HydrophobicContact CD1-CB 4.1Å; L175-V178 HydrophobicContact CD1-CG1 4.22Å; L175-V178 HydrophobicContact CD1-CG2 4.41Å; L175-V178 WeakPolarHBondContact O-CB 3.12Å; L175-V178 PolarHBondContact O-N 3.26Å; G176-V178 VanDerWaalsContact C-N 3.35Å; G176-V178 PolarHBondContact O-N 2.93Å; V178-L181 PolarHBondContact O-N 3.2Å; V178-H182 WeakPolarHBondContact O-CB 3.48Å; V178-H182 PolarHBondContact O-N 2.85Å; V178-L187 HydrophobicContact CG1-CD1 4.45Å; V178-L187 HydrophobicContact CG1-CD2 3.63Å; V178-V190 HydrophobicContact CG1-CB 3.81Å; V178-V190 HydrophobicContact CG1-CG1 3.93Å; V178-V190 HydrophobicContact CG1-CG2 4.06Å; V178-V190 HydrophobicContact CG2-CB 4.46Å; V178-V190 HydrophobicContact CG2-CG2 3.92Å; V178-I214 HydrophobicContact CG1-CG2 4.07Å
179R98.6Very high97.9Very high12 Ų1230.9 Ų30.95%0.04518%0.179CC..Hα-helixtrans-62.6-43175-77.5166.3166.6125.92.7112.4G164 S165 Y171 L175 G176 V177 H182 G183 E208 E212 I214G164-R179 VanDerWaalsContact CA-NH1 3.34Å; S165-R179 VanDerWaalsContact N-NH1 3.19Å; Y171-R179 HydrophobicContact CE2-CB 4.07Å; Y171-R179 VanDerWaalsContact O-CD 3.27Å; Y171-R179 WeakPolarHBondContact O-CD 3.32Å; Y171-R179 PolarHBondContact O-NH1 2.68Å; L175-R179 WeakPolarHBondContact O-CB 3.35Å; L175-R179 VanDerWaalsContact O-CG 3.29Å; L175-R179 WeakPolarHBondContact O-CG 3.44Å; L175-R179 PolarHBondContact O-N 2.89Å; G176-R179 WeakPolarHBondContact O-CB 3.41Å; G176-R179 PolarHBondContact O-N 2.89Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 3.29Å; R179-H182 PolarHBondContact O-N 3.3Å; R179-G183 PolarHBondContact O-N 3.31Å; R179-E208 IonicContact CZ-OE2 3.51Å; R179-E208 IonicContact NH1-OE2 2.96Å; R179-E208 PolarHBondContact NH1-OE2 3.13Å; R179-E208 VanDerWaalsContact NH1-OE2 3.13Å; R179-E208 IonicContact NH2-OE2 3.7Å; R179-E208 PolarHBondContact NH2-OE2 3.41Å; R179-E212 IonicContact CZ-OE1 3.71Å; R179-E212 IonicContact CZ-OE2 3.87Å; R179-E212 IonicContact NE-OE1 2.79Å; R179-E212 PolarHBondContact NE-OE1 2.92Å; R179-E212 IonicContact NE-OE2 3.6Å; R179-E212 PolarHBondContact NE-OE2 3.32Å; R179-E212 VanDerWaalsContact NH2-CD 3.34Å; R179-E212 IonicContact NH2-OE1 3.69Å; R179-E212 PolarHBondContact NH2-OE1 3.45Å; R179-E212 IonicContact NH2-OE2 2.73Å; R179-E212 PolarHBondContact NH2-OE2 3.06Å; R179-I214 HydrophobicContact CG-CD1 4.04Å
180S98.6Very high98.1Very high4 Ų430.6 Ų30.63%0.02818%0.176CC..Hα-helixtrans-61-47.4174.7-68.90000111.1G139 N140 Y171 G176 V177 H182 G183 L184G139-S180 WeakPolarHBondContact CA-OG 3.24Å; G139-S180 WeakPolarHBondContact O-CB 3.34Å; G139-S180 PolarHBondContact O-OG 3.26Å; N140-S180 PolarHBondContact N-OG 3.31Å; N140-S180 PolarHBondContact OD1-OG 3.49Å; Y171-S180 PolarHBondContact OH-N 2.92Å; Y171-S180 PolarHBondContact OH-OG 2.75Å; G176-S180 PolarHBondContact O-N 2.85Å; G176-S180 PolarHBondContact O-OG 2.79Å; V177-S180 PolarHBondContact O-N 2.62Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 2.87Å; S180-G183 PolarHBondContact O-N 3.05Å; S180-L184 VanDerWaalsContact O-CG 3.25Å; S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 2.66Å
181L98.7Very high98.3Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-60.3-40.4176.3-69.5167.6000112.3A143 L147 V155 V157 V177 V178 L184 G185 R186 L187A143-L181 HydrophobicContact CB-CD2 3.77Å; A143-L181 HydrophobicContact CB-CG 3.79Å; L147-L181 HydrophobicContact CD1-CD2 3.86Å; L147-L181 HydrophobicContact CD2-CD2 3.93Å; L147-L181 HydrophobicContact CG-CD2 3.71Å; V155-L181 HydrophobicContact CG2-CD1 3.76Å; V155-L181 HydrophobicContact CG2-CD2 3.74Å; V155-L181 HydrophobicContact CG2-CG 4.23Å; V157-L181 HydrophobicContact CG2-CD1 3.71Å; V177-L181 HydrophobicContact CG1-CD1 4.17Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 3.27Å; V178-L181 PolarHBondContact O-N 3.2Å; L181-L184 PolarHBondContact O-N 2.9Å; L181-G185 PolarHBondContact O-N 3.11Å; L181-R186 PolarHBondContact O-N 3.43Å; L181-L187 HydrophobicContact CB-CB 3.94Å; L181-L187 HydrophobicContact CB-CD1 4.28Å; L181-L187 HydrophobicContact CD1-CD1 4.41Å; L181-L187 PolarHBondContact O-N 2.68Å; L181-L187 VanDerWaalsContact O-N 3.14Å
182H98.5Very high98.4Very high67 Ų6730.3 Ų30.331%0.3117%0.172SC..Hα-helixtrans-66.3-46.3176.4-178.6-128.2000112V178 R179 S180 L184 G185 L187V178-H182 WeakPolarHBondContact O-CB 3.48Å; V178-H182 PolarHBondContact O-N 2.85Å; R179-H182 PolarHBondContact O-N 3.3Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 2.87Å; H182-L184 PolarHBondContact O-N 3.47Å; H182-G185 PolarHBondContact O-N 2.99Å; H182-L187 HydrophobicContact CB-CB 4.24Å; H182-L187 HydrophobicContact CB-CD2 3.95Å
183G97.9Very high98.5Very high70 Ų7030.3 Ų30.372%0.72217%0.172SC*.Hα-helixtrans-62.1-28.3177.400000113.4R179 S180 G185R179-G183 PolarHBondContact O-N 3.31Å; S180-G183 PolarHBondContact O-N 3.05Å; G183-G185 VanDerWaalsContact C-N 3.29Å
184L97.8Very high98.5Very high103 Ų10332.2 Ų32.254%0.53918%0.181SC..THydrogen-bonded Turntrans-80.5-5.1172.9-66.6170.4000113.5L147 S180 L181 H182 R186L147-L184 HydrophobicContact CD1-CD1 4.09Å; S180-L184 VanDerWaalsContact O-CG 3.25Å; S180-L184 WeakPolarHBondContact O-CG 3.48Å; S180-L184 PolarHBondContact O-N 2.66Å; L181-L184 PolarHBondContact O-N 2.9Å; H182-L184 PolarHBondContact O-N 3.47Å; L184-R186 HydrophobicContact CB-CB 4.39Å; L184-R186 HydrophobicContact CB-CG 3.83Å; L184-R186 WeakPolarHBondContact O-CG 3.43Å; L184-R186 PolarHBondContact O-N 3.27Å
185G97.8Very high98.5Very high64 Ų6432.2 Ų32.266%0.6618%0.181SC*.THydrogen-bonded Turntrans68.317.9-173.600000113.8L181 H182 G183L181-G185 PolarHBondContact O-N 3.11Å; H182-G185 PolarHBondContact O-N 2.99Å; G183-G185 VanDerWaalsContact C-N 3.29Å
186R98.2Very high98.5Very high77 Ų7735.2 Ų35.229%0.29119%0.192SC..  trans-104.5-4.8-175.3-55.4-62.4-61.9-77.6-3113.2L147 R152 D153 S154 V155 L181 L184L147-R186 HydrophobicContact CD1-CB 4.16Å; L147-R186 HydrophobicContact CD1-CG 4.05Å; L147-R186 HydrophobicContact CD2-CB 3.85Å; L147-R186 HydrophobicContact CD2-CG 4.32Å; R152-R186 PolarHBondContact O-NH2 2.98Å; D153-R186 WeakPolarHBondContact O-CD 3.24Å; D153-R186 PolarHBondContact O-NE 2.85Å; S154-R186 CarbonylContact C-O 3.54Å; S154-R186 WeakPolarHBondContact CA-O 3.45Å; S154-R186 VanDerWaalsContact CB-O 3.3Å; S154-R186 WeakPolarHBondContact CB-O 3.49Å; V155-R186 WeakPolarHBondContact CG2-O 3.25Å; V155-R186 PolarHBondContact N-O 3.16Å; L181-R186 PolarHBondContact O-N 3.43Å; L184-R186 HydrophobicContact CB-CB 4.39Å; L184-R186 HydrophobicContact CB-CG 3.83Å; L184-R186 WeakPolarHBondContact O-CG 3.43Å; L184-R186 PolarHBondContact O-N 3.27Å
187L98.6Very high98.4Very high14 Ų1435.8 Ų35.87%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-85.4113.4174.5-174.671.7000110.6V157 V178 L181 H182 R189 I214 P215V157-L187 HydrophobicContact CB-CD1 4.38Å; V157-L187 HydrophobicContact CG2-CD1 4.07Å; V178-L187 HydrophobicContact CG1-CD1 4.45Å; V178-L187 HydrophobicContact CG1-CD2 3.63Å; L181-L187 HydrophobicContact CB-CB 3.94Å; L181-L187 HydrophobicContact CB-CD1 4.28Å; L181-L187 HydrophobicContact CD1-CD1 4.41Å; L181-L187 PolarHBondContact O-N 2.68Å; L181-L187 VanDerWaalsContact O-N 3.14Å; H182-L187 HydrophobicContact CB-CB 4.24Å; H182-L187 HydrophobicContact CB-CD2 3.95Å; L187-R189 WeakPolarHBondContact CD1-O 3.33Å; L187-I214 HydrophobicContact CD2-CG2 3.62Å; L187-P215 HydrophobicContact CD2-CG 4.44Å
188K98.4Very high98.1Very high103 Ų10337.1 Ų37.145%0.44820%0.201SC..EExtended strand (participates in β ladder)trans-73.5-47.1170.7-176.4177.2177-175.50111.1V155V155-K188 WeakPolarHBondContact O-CB 3.47Å; V155-K188 PolarHBondContact O-N 3.28Å
189R98.7Very high98Very high82 Ų8238.3 Ų38.331%0.30921%0.207SC..EExtended strand (participates in β ladder)trans-160.4153.5178-147.4153.3-101.463.712.9111.3T156 V157 L187 Y191 P215 T217T156-R189 WeakPolarHBondContact CA-O 3.5Å; T156-R189 HydrophobicContact CG2-CB 3.97Å; V157-R189 PolarHBondContact N-O 3.35Å; L187-R189 WeakPolarHBondContact CD1-O 3.33Å; R189-Y191 HydrophobicContact CB-CE2 4.17Å; R189-Y191 HydrophobicContact CG-CE2 4.16Å; R189-P215 CarbonylContact C-O 3.58Å; R189-P215 VanDerWaalsContact CA-O 3.28Å; R189-P215 WeakPolarHBondContact CA-O 3.46Å; R189-P215 WeakPolarHBondContact CG-O 3.29Å; R189-T217 WeakPolarHBondContact CD-OG1 3.33Å
190V98.8Very high97.9Very high2 Ų238.5 Ų38.51%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-111.9129.8157.262.60000110.7V157 T159 V178 I214 P215 A216 T217V157-V190 CarbonylContact O-C 3.52Å; V157-V190 VanDerWaalsContact O-CA 3.29Å; V157-V190 WeakPolarHBondContact O-CA 2.92Å; T159-V190 HydrophobicContact CG2-CG2 3.9Å; V178-V190 HydrophobicContact CG1-CB 3.81Å; V178-V190 HydrophobicContact CG1-CG1 3.93Å; V178-V190 HydrophobicContact CG1-CG2 4.06Å; V178-V190 HydrophobicContact CG2-CB 4.46Å; V178-V190 HydrophobicContact CG2-CG2 3.92Å; V190-I214 HydrophobicContact CG1-CG2 3.76Å; V190-P215 PolarHBondContact N-O 2.94Å; V190-A216 HydrophobicContact CG1-CB 3.61Å; V190-A216 CarbonylContact O-C 3.51Å; V190-A216 WeakPolarHBondContact O-CA 3.49Å; V190-T217 PolarHBondContact O-N 2.86Å
191Y98.9Very high97.9Very high25 Ų2538.3 Ų38.310%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-94.9125.7166.5-71.3-92.7000108.5T156 V157 L158 T159 R189 T217 I219 T227 M231 I233T156-Y191 HydrophobicContact CG2-CD2 3.82Å; T156-Y191 HydrophobicContact CG2-CE2 3.57Å; V157-Y191 PolarHBondContact O-N 2.87Å; L158-Y191 CarbonylContact C-O 3.52Å; L158-Y191 WeakPolarHBondContact CA-O 3.36Å; T159-Y191 PolarHBondContact N-O 3.28Å; R189-Y191 HydrophobicContact CB-CE2 4.17Å; R189-Y191 HydrophobicContact CG-CE2 4.16Å; Y191-T217 WeakPolarHBondContact CA-O 3.44Å; Y191-T217 HydrophobicContact CD1-CG2 3.93Å; Y191-T217 HydrophobicContact CE1-CG2 3.71Å; Y191-I219 HydrophobicContact CD1-CG2 4.01Å; Y191-T227 HydrophobicContact CD1-CG2 3.69Å; Y191-T227 HydrophobicContact CD2-CG2 4.17Å; Y191-T227 HydrophobicContact CE1-CG2 4.08Å; Y191-T227 HydrophobicContact CE2-CG2 4.5Å; Y191-T227 HydrophobicContact CG-CG2 3.74Å; Y191-M231 HydrophobicContact CE1-CB 4.4Å; Y191-M231 HydrophobicContact CE1-CG 4.13Å; Y191-M231 HydrophobicContact CE2-CB 3.81Å; Y191-M231 HydrophobicContact CE2-CG 4.42Å; Y191-M231 WeakPolarHBondContact OH-CB 3.48Å; Y191-M231 WeakPolarHBondContact OH-CG 3.25Å; Y191-I233 HydrophobicContact CD2-CD1 3.43Å; Y191-I233 VanDerWaalsContact CD2-CD1 3.43Å; Y191-I233 HydrophobicContact CE2-CD1 3.89Å; Y191-I233 HydrophobicContact CG-CD1 4.2Å
192C98.8Very high97.8Very high2 Ų239.8 Ų39.81%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-114.5134174.560.80000109T159 T205 T217 L218 I219T159-C192 HydrophobicContact CG2-CB 4.05Å; C192-T205 HydrophobicContact CB-CG2 3.75Å; C192-T217 PolarHBondContact N-O 3.42Å; C192-L218 CarbonylContact O-C 3.45Å; C192-L218 WeakPolarHBondContact O-CA 3.21Å; C192-L218 WeakPolarHBondContact O-CD1 3.19Å; C192-I219 PolarHBondContact O-N 2.92Å
193T98.9Very high97.8Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-82.8153.1176.545.90000110.4T159 H160 T195 G201 I219 D221 A224T159-T193 PolarHBondContact O-N 3.21Å; T159-T193 PolarHBondContact O-OG1 3.45Å; H160-T193 WeakPolarHBondContact CA-OG1 3.44Å; H160-T193 PolarHBondContact ND1-OG1 3.3Å; T193-T195 VanDerWaalsContact C-N 3.28Å; T193-T195 PolarHBondContact O-N 3.39Å; T193-T195 PolarHBondContact O-OG1 2.94Å; T193-G201 VanDerWaalsContact O-CA 3.23Å; T193-G201 WeakPolarHBondContact O-CA 3.39Å; T193-I219 CarbonylContact C-O 3.41Å; T193-I219 WeakPolarHBondContact CA-O 3.4Å; T193-I219 HydrophobicContact CG2-CD1 3.97Å; T193-I219 HydrophobicContact CG2-CG1 3.94Å; T193-D221 WeakPolarHBondContact CB-OD1 3.3Å; T193-A224 HydrophobicContact CG2-CB 4.48Å
194E98.6Very high97.7Very high51 Ų5135.9 Ų35.924%0.23818%0.178CC..  trans-62.1-36.2-179.469.8-173141.900112.8R196 N199 G201 S202 L218 I219 T220 D221E194-R196 HydrophobicContact CG-CG 4.06Å; E194-N199 CarbonylContact O-C 3.59Å; E194-N199 VanDerWaalsContact O-C 3.28Å; E194-N199 VanDerWaalsContact O-CA 3.22Å; E194-N199 WeakPolarHBondContact O-CA 2.99Å; E194-G201 PolarHBondContact O-N 3.02Å; E194-G201 VanDerWaalsContact O-N 3.1Å; E194-S202 PolarHBondContact O-N 3.29Å; E194-L218 HydrophobicContact CB-CD1 4.45Å; E194-I219 PolarHBondContact N-O 3.49Å; E194-T220 WeakPolarHBondContact OE1-CA 3.25Å; E194-T220 WeakPolarHBondContact OE1-CB 3.48Å; E194-D221 WeakPolarHBondContact CG-OD2 3.49Å; E194-D221 PolarHBondContact OE1-N 2.84Å
195T98.5Very high97.8Very high0 Ų031 Ų310%015%0.153CC..  trans65.666.7-179.5-41.60000113.5H160 C161 T193 Y198 N199 Q200 D221 K252H160-T195 PolarHBondContact ND1-OG1 3.03Å; C161-T195 VanDerWaalsContact CA-OG1 3.28Å; C161-T195 WeakPolarHBondContact CA-OG1 3.41Å; C161-T195 HydrophobicContact CB-CG2 3.9Å; C161-T195 PolarHBondContact N-OG1 3.33Å; T193-T195 VanDerWaalsContact C-N 3.28Å; T193-T195 PolarHBondContact O-N 3.39Å; T193-T195 PolarHBondContact O-OG1 2.94Å; T195-Y198 PolarHBondContact O-N 3.46Å; T195-N199 WeakPolarHBondContact O-CA 3.41Å; T195-N199 PolarHBondContact O-N 3.34Å; T195-Q200 PolarHBondContact O-OE1 2.95Å; T195-D221 VanDerWaalsContact CA-OD1 3.29Å; T195-D221 WeakPolarHBondContact CA-OD1 3.32Å; T195-D221 WeakPolarHBondContact CA-OD2 3.21Å; T195-D221 PolarHBondContact N-OD1 2.96Å; T195-D221 PolarHBondContact N-OD2 2.97Å; T195-K252 HydrophobicContact CG2-CB 4.43Å; T195-K252 HydrophobicContact CG2-CD 4.16Å; T195-K252 HydrophobicContact CG2-CG 3.3Å
196R98.4Very high97.8Very high64 Ų6429 Ų2924%0.24213%0.13CC..THydrogen-bonded Turntrans-65.1155.2174.1-81.7-73.1-64.71500.1111.9E194 N199 D221 L298E194-R196 HydrophobicContact CG-CG 4.06Å; R196-N199 WeakPolarHBondContact CD-OD1 3.35Å; R196-D221 PolarHBondContact N-OD2 3.41Å; R196-L298 PolarHBondContact NH2-O 3.44Å
197P96.1Very high97.8Very high12 Ų1227.5 Ų27.58%0.07813%0.125CC..THydrogen-bonded Turncis-82.3-12.8-3.232.7-35.1000114.6N199 E297 L298 N315P197-N199 PolarHBondContact O-N 3.48Å; P197-E297 WeakPolarHBondContact CB-O 3.46Å; P197-L298 HydrophobicContact CB-CB 4.24Å; P197-L298 HydrophobicContact CB-CG 4.49Å; P197-N315 WeakPolarHBondContact CG-OD1 3.42Å
198Y92.6Very high97.8Very high27 Ų2726.9 Ų26.911%0.10612%0.121CC..THydrogen-bonded Turntrans-86.1-7.2-168.7-79.6-76.8000115.9M43 T195 Q200 R293 E297M43-Y198 HydrophobicContact CE-CE1 4.37Å; M43-Y198 HydrophobicContact SD-CE1 4.49Å; T195-Y198 PolarHBondContact O-N 3.46Å; Y198-Q200 VanDerWaalsContact CB-CD 3.4Å; Y198-Q200 PolarHBondContact O-N 3.36Å; Y198-R293 WeakPolarHBondContact OH-CD 3.18Å; Y198-R293 PolarHBondContact OH-NE 3.03Å; Y198-R293 PolarHBondContact OH-NH1 2.91Å; Y198-E297 PolarHBondContact OH-OE1 3.01Å; Y198-E297 PolarHBondContact OH-OE2 2.91Å
199N96.3Very high97.8Very high25 Ų2522 Ų2213%0.13410%0.101CC..THydrogen-bonded Turntrans60.633.1170-64.7-20.3000112.4E194 T195 R196 P197 G201 S202 R203E194-N199 CarbonylContact O-C 3.59Å; E194-N199 VanDerWaalsContact O-C 3.28Å; E194-N199 VanDerWaalsContact O-CA 3.22Å; E194-N199 WeakPolarHBondContact O-CA 2.99Å; T195-N199 WeakPolarHBondContact O-CA 3.41Å; T195-N199 PolarHBondContact O-N 3.34Å; R196-N199 WeakPolarHBondContact CD-OD1 3.35Å; P197-N199 PolarHBondContact O-N 3.48Å; N199-G201 VanDerWaalsContact C-N 3.32Å; N199-G201 PolarHBondContact O-N 3.5Å; N199-S202 VanDerWaalsContact CB-OG 3.32Å; N199-S202 WeakPolarHBondContact CB-OG 3.34Å; N199-S202 PolarHBondContact O-OG 3.19Å; N199-R203 HydrophobicContact CB-CG 4.11Å; N199-R203 WeakPolarHBondContact O-CB 3.46Å; N199-R203 VanDerWaalsContact O-CG 3.25Å; N199-R203 WeakPolarHBondContact O-CG 3.38Å; N199-R203 PolarHBondContact O-N 3.34Å
200Q96.6Very high97.7Very high16 Ų1623.9 Ų23.98%0.07512%0.121CC..Hα-helixtrans-64.7-38.3-178.5-65.893.5-3100111.7N162 T195 Y198 L204 T205N162-Q200 HydrophobicContact CB-CB 3.91Å; T195-Q200 PolarHBondContact O-OE1 2.95Å; Y198-Q200 VanDerWaalsContact CB-CD 3.4Å; Y198-Q200 PolarHBondContact O-N 3.36Å; Q200-L204 HydrophobicContact CB-CD1 4.3Å; Q200-L204 HydrophobicContact CG-CD1 4.32Å; Q200-L204 WeakPolarHBondContact O-CA 3.27Å; Q200-L204 WeakPolarHBondContact O-CB 3.4Å; Q200-L204 PolarHBondContact O-N 2.9Å; Q200-T205 PolarHBondContact O-N 3.43Å; Q200-T205 VanDerWaalsContact O-N 3.14Å
201G98.4Very high97.6Very high0 Ų026.7 Ų26.70%014%0.144CC..Iπ-helixtrans-71-40.5-179.100000112T193 E194 N199 T205 A206T193-G201 VanDerWaalsContact O-CA 3.23Å; T193-G201 WeakPolarHBondContact O-CA 3.39Å; E194-G201 PolarHBondContact O-N 3.02Å; E194-G201 VanDerWaalsContact O-N 3.1Å; N199-G201 VanDerWaalsContact C-N 3.32Å; N199-G201 PolarHBondContact O-N 3.5Å; G201-T205 WeakPolarHBondContact O-CB 3.45Å; G201-T205 PolarHBondContact O-N 2.96Å; G201-A206 PolarHBondContact O-N 3.39Å
202S97.8Very high97.4Very high31 Ų3127.4 Ų27.422%0.21715%0.149CC..Iπ-helixtrans-72.2-35.5175.556.20000113.8E194 N199 A206E194-S202 PolarHBondContact O-N 3.29Å; N199-S202 VanDerWaalsContact CB-OG 3.32Å; N199-S202 WeakPolarHBondContact CB-OG 3.34Å; N199-S202 PolarHBondContact O-OG 3.19Å; S202-A206 WeakPolarHBondContact O-CB 3.24Å
203R97.2Very high97.4Very high53 Ų5330 Ų3020%0.218%0.175CC..Iπ-helixtrans-88.5-36.8-177.4-66.9176.558.9-110.3-2.7114.3Q18 L19 L21 N199 Y207Q18-R203 PolarHBondContact O-NH2 3.04Å; L19-R203 PolarHBondContact O-NH2 3.5Å; L21-R203 VanDerWaalsContact O-CZ 3.31Å; L21-R203 PolarHBondContact O-NE 2.91Å; L21-R203 PolarHBondContact O-NH2 2.93Å; N199-R203 HydrophobicContact CB-CG 4.11Å; N199-R203 WeakPolarHBondContact O-CB 3.46Å; N199-R203 VanDerWaalsContact O-CG 3.25Å; N199-R203 WeakPolarHBondContact O-CG 3.38Å; N199-R203 PolarHBondContact O-N 3.34Å; R203-Y207 VanDerWaalsContact O-CB 3.24Å; R203-Y207 WeakPolarHBondContact O-CB 3.35Å
204L97.3Very high97.4Very high2 Ų230.4 Ų30.41%0.0118%0.177CC..Iπ-helixtrans-113.1-51.1-168-50.4178.9000111.3L21 N162 L166 Q200 Y207 E208L21-L204 HydrophobicContact CB-CD2 3.9Å; L21-L204 HydrophobicContact CD1-CD2 3.77Å; N162-L204 HydrophobicContact CB-CB 3.86Å; N162-L204 HydrophobicContact CB-CD1 4.15Å; L166-L204 HydrophobicContact CD1-CB 3.85Å; L166-L204 HydrophobicContact CD1-CD2 4.1Å; L166-L204 HydrophobicContact CD1-CG 4.49Å; Q200-L204 HydrophobicContact CB-CD1 4.3Å; Q200-L204 HydrophobicContact CG-CD1 4.32Å; Q200-L204 WeakPolarHBondContact O-CA 3.27Å; Q200-L204 WeakPolarHBondContact O-CB 3.4Å; Q200-L204 PolarHBondContact O-N 2.9Å; L204-Y207 WeakPolarHBondContact O-CB 3.29Å; L204-Y207 PolarHBondContact O-N 3.34Å; L204-E208 WeakPolarHBondContact O-CG 3.25Å; L204-E208 PolarHBondContact O-N 3.03Å
205T98.5Very high97.4Very high2 Ų229.9 Ų29.91%0.01218%0.178CC..Iπ-helixtrans-66.4-44.5180-58.60000111.9T159 C161 N162 L175 C192 Q200 G201 Y207 E208 A209T159-T205 HydrophobicContact CG2-CG2 4.23Å; C161-T205 PolarHBondContact O-OG1 2.87Å; N162-T205 VanDerWaalsContact CA-OG1 3.23Å; N162-T205 WeakPolarHBondContact CA-OG1 3.22Å; N162-T205 WeakPolarHBondContact CB-OG1 3.39Å; N162-T205 PolarHBondContact ND2-N 2.77Å; N162-T205 PolarHBondContact ND2-OG1 2.92Å; N162-T205 VanDerWaalsContact ND2-OG1 3.08Å; L175-T205 HydrophobicContact CD1-CG2 4.06Å; L175-T205 HydrophobicContact CD2-CG2 4.4Å; C192-T205 HydrophobicContact CB-CG2 3.75Å; Q200-T205 PolarHBondContact O-N 3.43Å; Q200-T205 VanDerWaalsContact O-N 3.14Å; G201-T205 WeakPolarHBondContact O-CB 3.45Å; G201-T205 PolarHBondContact O-N 2.96Å; T205-Y207 VanDerWaalsContact C-N 3.28Å; T205-Y207 PolarHBondContact O-N 3.27Å; T205-E208 PolarHBondContact O-N 3.05Å; T205-A209 WeakPolarHBondContact O-CB 3.5Å; T205-A209 PolarHBondContact O-N 3.27Å
206A98.6Very high97.4Very high22 Ų2231.6 Ų31.618%0.18219%0.193CC..Hα-helixtrans-62-37.8173.200000111.8G201 S202 A209 V210G201-A206 PolarHBondContact O-N 3.39Å; S202-A206 WeakPolarHBondContact O-CB 3.24Å; A206-A209 PolarHBondContact O-N 2.94Å; A206-V210 VanDerWaalsContact O-CG2 3.29Å; A206-V210 WeakPolarHBondContact O-CG2 3.26Å; A206-V210 PolarHBondContact O-N 2.99Å
207Y97.9Very high97.4Very high45 Ų4531.1 Ų31.118%0.17620%0.197CC..Hα-helixtrans-63.2-47.4176.7-179.9-91.6000112L3 L21 P22 T25 L166 R203 L204 T205 V210 A211L3-Y207 HydrophobicContact CD1-CE1 4.33Å; L3-Y207 HydrophobicContact CD2-CD1 3.82Å; L3-Y207 HydrophobicContact CD2-CE1 3.51Å; L21-Y207 HydrophobicContact CD2-CD1 4.2Å; L21-Y207 HydrophobicContact CD2-CD2 4.38Å; L21-Y207 HydrophobicContact CD2-CE1 3.83Å; L21-Y207 HydrophobicContact CD2-CE2 4.03Å; L21-Y207 HydrophobicContact CD2-CG 4.47Å; P22-Y207 HydrophobicContact CB-CD2 3.73Å; P22-Y207 HydrophobicContact CB-CG 4.38Å; T25-Y207 PolarHBondContact OG1-OH 3.2Å; L166-Y207 HydrophobicContact CD1-CD1 4.37Å; R203-Y207 VanDerWaalsContact O-CB 3.24Å; R203-Y207 WeakPolarHBondContact O-CB 3.35Å; L204-Y207 WeakPolarHBondContact O-CB 3.29Å; L204-Y207 PolarHBondContact O-N 3.34Å; T205-Y207 VanDerWaalsContact C-N 3.28Å; T205-Y207 PolarHBondContact O-N 3.27Å; Y207-V210 PolarHBondContact O-N 2.89Å; Y207-A211 WeakPolarHBondContact O-CB 3.28Å; Y207-A211 PolarHBondContact O-N 3.4Å
208E98.1Very high97.5Very high0 Ų034.4 Ų34.40%021%0.214CC..Hα-helixtrans-61.6-43.4175.3-72.6-176.6-108.400111.9L3 N162 G164 S165 L166 L175 R179 L204 T205 V210 A211 E212L3-E208 HydrophobicContact CD2-CG 4.06Å; N162-E208 PolarHBondContact ND2-OE1 3.45Å; G164-E208 WeakPolarHBondContact CA-OE1 3.31Å; G164-E208 VanDerWaalsContact CA-OE2 3.24Å; G164-E208 WeakPolarHBondContact CA-OE2 3.45Å; S165-E208 PolarHBondContact N-OE2 3.25Å; S165-E208 PolarHBondContact OG-OE2 2.96Å; L166-E208 WeakPolarHBondContact CB-OE1 3.29Å; L166-E208 HydrophobicContact CD1-CG 3.72Å; L166-E208 HydrophobicContact CG-CG 3.83Å; L166-E208 WeakPolarHBondContact CG-OE1 3.47Å; L175-E208 HydrophobicContact CD2-CB 3.89Å; L175-E208 HydrophobicContact CD2-CG 4.45Å; R179-E208 IonicContact CZ-OE2 3.51Å; R179-E208 IonicContact NH1-OE2 2.96Å; R179-E208 PolarHBondContact NH1-OE2 3.13Å; R179-E208 VanDerWaalsContact NH1-OE2 3.13Å; R179-E208 IonicContact NH2-OE2 3.7Å; R179-E208 PolarHBondContact NH2-OE2 3.41Å; L204-E208 WeakPolarHBondContact O-CG 3.25Å; L204-E208 PolarHBondContact O-N 3.03Å; T205-E208 PolarHBondContact O-N 3.05Å; E208-V210 PolarHBondContact O-N 2.93Å; E208-A211 PolarHBondContact O-N 2.9Å; E208-E212 WeakPolarHBondContact O-CB 3.49Å; E208-E212 PolarHBondContact O-N 3.5Å
209A98Very high97.8Very high1 Ų134 Ų341%0.00821%0.213CC..Hα-helixtrans-61.7-43178.500000112.3T205 A206 E212 G213 I214 A216T205-A209 WeakPolarHBondContact O-CB 3.5Å; T205-A209 PolarHBondContact O-N 3.27Å; A206-A209 PolarHBondContact O-N 2.94Å; A209-E212 PolarHBondContact O-N 3.34Å; A209-G213 PolarHBondContact O-N 3.36Å; A209-G213 VanDerWaalsContact O-N 3.09Å; A209-I214 HydrophobicContact CB-CB 4.19Å; A209-I214 PolarHBondContact O-N 3.12Å; A209-A216 HydrophobicContact CB-CB 3.64Å
210V97.4Very high97.9Very high122 Ų12234.7 Ų34.774%0.73922%0.218SC*.Hα-helixtrans-65.2-47176169.80000111.1A206 Y207 E208 E212 G213A206-V210 VanDerWaalsContact O-CG2 3.29Å; A206-V210 WeakPolarHBondContact O-CG2 3.26Å; A206-V210 PolarHBondContact O-N 2.99Å; Y207-V210 PolarHBondContact O-N 2.89Å; E208-V210 PolarHBondContact O-N 2.93Å; V210-E212 PolarHBondContact O-N 3Å; V210-G213 PolarHBondContact O-N 3.45Å
211A95.7Very high98.1Very high61 Ų6135.1 Ų35.150%0.50422%0.221SC..Hα-helixtrans-60.6-30.3-179.200000112.8Y207 E208Y207-A211 WeakPolarHBondContact O-CB 3.28Å; Y207-A211 PolarHBondContact O-N 3.4Å; E208-A211 PolarHBondContact O-N 2.9Å
212E96.6Very high98.1Very high40 Ų4040 Ų4019%0.18726%0.255CS..THydrogen-bonded Turntrans-101.52-177.7-66.2-178.2-162.900114.2T2 L3 R179 E208 A209 V210 I214T2-E212 WeakPolarHBondContact CA-OE1 3.43Å; T2-E212 WeakPolarHBondContact CG2-OE1 3.45Å; L3-E212 PolarHBondContact N-OE1 3.36Å; R179-E212 IonicContact CZ-OE1 3.71Å; R179-E212 IonicContact CZ-OE2 3.87Å; R179-E212 IonicContact NE-OE1 2.79Å; R179-E212 PolarHBondContact NE-OE1 2.92Å; R179-E212 IonicContact NE-OE2 3.6Å; R179-E212 PolarHBondContact NE-OE2 3.32Å; R179-E212 VanDerWaalsContact NH2-CD 3.34Å; R179-E212 IonicContact NH2-OE1 3.69Å; R179-E212 PolarHBondContact NH2-OE1 3.45Å; R179-E212 IonicContact NH2-OE2 2.73Å; R179-E212 PolarHBondContact NH2-OE2 3.06Å; E208-E212 WeakPolarHBondContact O-CB 3.49Å; E208-E212 PolarHBondContact O-N 3.5Å; A209-E212 PolarHBondContact O-N 3.34Å; V210-E212 PolarHBondContact O-N 3Å; E212-I214 HydrophobicContact CB-CD1 4.12Å; E212-I214 HydrophobicContact CB-CG1 3.98Å; E212-I214 PolarHBondContact O-N 2.94Å
213G97.4Very high98.1Very high55 Ų5542.5 Ų42.557%0.56726%0.264SS*.THydrogen-bonded Turntrans65.323.7-178.700000113.9A209 V210A209-G213 PolarHBondContact O-N 3.36Å; A209-G213 VanDerWaalsContact O-N 3.09Å; V210-G213 PolarHBondContact O-N 3.45Å
214I98.4Very high98.2Very high9 Ų940.1 Ų40.15%0.04626%0.256CS..  trans-72128.5178-61.5175.1000108.4V178 R179 L187 V190 A209 E212 A216V178-I214 HydrophobicContact CG1-CG2 4.07Å; R179-I214 HydrophobicContact CG-CD1 4.04Å; L187-I214 HydrophobicContact CD2-CG2 3.62Å; V190-I214 HydrophobicContact CG1-CG2 3.76Å; A209-I214 HydrophobicContact CB-CB 4.19Å; A209-I214 PolarHBondContact O-N 3.12Å; E212-I214 HydrophobicContact CB-CD1 4.12Å; E212-I214 HydrophobicContact CB-CG1 3.98Å; E212-I214 PolarHBondContact O-N 2.94Å; I214-A216 PolarHBondContact O-N 3.46Å
215P98.6Very high98.3Very high40 Ų4042.2 Ų42.226%0.2627%0.274SS..  trans-65.6104176.926.6-33.4000109.8L187 R189 V190L187-P215 HydrophobicContact CD2-CG 4.44Å; R189-P215 CarbonylContact C-O 3.58Å; R189-P215 VanDerWaalsContact CA-O 3.28Å; R189-P215 WeakPolarHBondContact CA-O 3.46Å; R189-P215 WeakPolarHBondContact CG-O 3.29Å; V190-P215 PolarHBondContact N-O 2.94Å
216A98.8Very high98.3Very high37 Ų3746.4 Ų46.431%0.30630%0.296SS..EExtended strand (participates in β ladder)trans-128.8158.9-172.500000113.4V190 A209 I214V190-A216 HydrophobicContact CG1-CB 3.61Å; V190-A216 CarbonylContact O-C 3.51Å; V190-A216 WeakPolarHBondContact O-CA 3.49Å; A209-A216 HydrophobicContact CB-CB 3.64Å; I214-A216 PolarHBondContact O-N 3.46Å
217T98.9Very high98.3Very high53 Ų5345.8 Ų45.833%0.32529%0.289SS..EExtended strand (participates in β ladder)trans-140.3128.5172.3-60.10000109.5R189 V190 Y191 C192 I219R189-T217 WeakPolarHBondContact CD-OG1 3.33Å; V190-T217 PolarHBondContact O-N 2.86Å; Y191-T217 WeakPolarHBondContact CA-O 3.44Å; Y191-T217 HydrophobicContact CD1-CG2 3.93Å; Y191-T217 HydrophobicContact CE1-CG2 3.71Å; C192-T217 PolarHBondContact N-O 3.42Å; T217-I219 HydrophobicContact CG2-CG2 4.42Å
218L98.9Very high98.3Very high82 Ų8244 Ų4443%0.42928%0.283SS..EExtended strand (participates in β ladder)trans-85.9134.9174.7176.763000109.6C192 E194C192-L218 CarbonylContact O-C 3.45Å; C192-L218 WeakPolarHBondContact O-CA 3.21Å; C192-L218 WeakPolarHBondContact O-CD1 3.19Å; E194-L218 HydrophobicContact CB-CD1 4.45Å
219I98.9Very high98.3Very high17 Ų1751.7 Ų51.79%0.08731%0.312CS..EExtended strand (participates in β ladder)trans-131.2158.8174.862.4172.3000110.3L158 Y191 C192 T193 E194 T217 M223 T227L158-I219 HydrophobicContact CD1-CD1 4.23Å; Y191-I219 HydrophobicContact CD1-CG2 4.01Å; C192-I219 PolarHBondContact O-N 2.92Å; T193-I219 CarbonylContact C-O 3.41Å; T193-I219 WeakPolarHBondContact CA-O 3.4Å; T193-I219 HydrophobicContact CG2-CD1 3.97Å; T193-I219 HydrophobicContact CG2-CG1 3.94Å; E194-I219 PolarHBondContact N-O 3.49Å; T217-I219 HydrophobicContact CG2-CG2 4.42Å; I219-M223 HydrophobicContact CB-CB 4.16Å; I219-M223 HydrophobicContact CB-SD 4.37Å; I219-T227 HydrophobicContact CD1-CG2 4.1Å; I219-T227 WeakPolarHBondContact CD1-OG1 3.41Å
220T98.9Very high98.3Very high41 Ų4156.6 Ų56.625%0.25234%0.335SS..  trans-71.4160168.367.40000110.6E194 S222 M223E194-T220 WeakPolarHBondContact OE1-CA 3.25Å; E194-T220 WeakPolarHBondContact OE1-CB 3.48Å; T220-S222 PolarHBondContact O-N 3.17Å; T220-S222 PolarHBondContact OG1-OG 3.35Å; T220-M223 HydrophobicContact CG2-CE 4.03Å; T220-M223 HydrophobicContact CG2-SD 4.1Å; T220-M223 PolarHBondContact O-N 3.49Å; T220-M223 VanDerWaalsContact O-N 3.13Å; T220-M223 WeakPolarHBondContact OG1-CG 3.29Å; T220-M223 PolarHBondContact OG1-N 2.96Å; T220-M223 PolarHBondContact OG1-SD 3.46Å
221D98.8Very high98.4Very high25 Ų2555 Ų5513%0.13432%0.32CS..G310 helixtrans-60.2-35.1177.5-60.6-46.9000111.2H160 T193 E194 T195 R196 M223 A224H160-D221 IonicContact CE1-OD1 3.4Å; H160-D221 IonicContact ND1-OD1 2.66Å; T193-D221 WeakPolarHBondContact CB-OD1 3.3Å; E194-D221 WeakPolarHBondContact CG-OD2 3.49Å; E194-D221 PolarHBondContact OE1-N 2.84Å; T195-D221 VanDerWaalsContact CA-OD1 3.29Å; T195-D221 WeakPolarHBondContact CA-OD1 3.32Å; T195-D221 WeakPolarHBondContact CA-OD2 3.21Å; T195-D221 PolarHBondContact N-OD1 2.96Å; T195-D221 PolarHBondContact N-OD2 2.97Å; R196-D221 PolarHBondContact N-OD2 3.41Å; D221-M223 PolarHBondContact O-N 3.14Å; D221-A224 PolarHBondContact O-N 2.82Å
222S98.8Very high98.4Very high102 Ų10255.5 Ų55.571%0.71331%0.314SS*.G310 helixtrans-69-17.2179.672.80000114.7T220T220-S222 PolarHBondContact O-N 3.17Å; T220-S222 PolarHBondContact OG1-OG 3.35Å
223M98.9Very high98.4Very high84 Ų8454.1 Ų54.141%0.41431%0.308SS..G310 helixtrans-87.4-9.6-179-72.1164.3-175.400112.9I219 T220 D221 A225 L226 T227I219-M223 HydrophobicContact CB-CB 4.16Å; I219-M223 HydrophobicContact CB-SD 4.37Å; T220-M223 HydrophobicContact CG2-CE 4.03Å; T220-M223 HydrophobicContact CG2-SD 4.1Å; T220-M223 PolarHBondContact O-N 3.49Å; T220-M223 VanDerWaalsContact O-N 3.13Å; T220-M223 WeakPolarHBondContact OG1-CG 3.29Å; T220-M223 PolarHBondContact OG1-N 2.96Å; T220-M223 PolarHBondContact OG1-SD 3.46Å; D221-M223 PolarHBondContact O-N 3.14Å; M223-A225 VanDerWaalsContact C-N 3.35Å; M223-A225 PolarHBondContact O-N 2.9Å; M223-L226 WeakPolarHBondContact O-CB 3.36Å; M223-L226 PolarHBondContact O-N 3.5Å; M223-T227 PolarHBondContact O-N 3.37Å; M223-T227 PolarHBondContact O-OG1 3.46Å
224A98.7Very high98.5Very high3 Ų352.1 Ų52.13%0.02529%0.285CS..Hα-helixtrans-54.2-45.2-171.100000113.6L158 T193 D221 T227 M228 L258L158-A224 HydrophobicContact CD1-CB 4.49Å; T193-A224 HydrophobicContact CG2-CB 4.48Å; D221-A224 PolarHBondContact O-N 2.82Å; A224-T227 PolarHBondContact O-N 2.53Å; A224-M228 VanDerWaalsContact O-CG 3.31Å; A224-M228 WeakPolarHBondContact O-CG 3.2Å; A224-M228 PolarHBondContact O-N 3.06Å; A224-L258 HydrophobicContact CB-CD1 4.1Å; A224-L258 HydrophobicContact CB-CG 4.39Å
225A98.6Very high98.5Very high46 Ų4651.7 Ų51.738%0.3828%0.282SS..Hα-helixtrans-66.6-41178.500000112.5M223 T227 M228 R229 A261 H265M223-A225 VanDerWaalsContact C-N 3.35Å; M223-A225 PolarHBondContact O-N 2.9Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 3.38Å; A225-M228 PolarHBondContact O-N 2.84Å; A225-R229 PolarHBondContact O-N 2.91Å; A225-A261 HydrophobicContact CB-CB 4.32Å; A225-H265 PolarHBondContact O-NE2 3Å
226L98.7Very high98.5Very high90 Ų9049.8 Ų49.847%0.47127%0.27SS..Hα-helixtrans-62.9-42.6174.4-179.765.5000110.7M223 R229 E230M223-L226 WeakPolarHBondContact O-CB 3.36Å; M223-L226 PolarHBondContact O-N 3.5Å; L226-R229 PolarHBondContact O-N 3.5Å; L226-E230 HydrophobicContact CD1-CG 3.63Å; L226-E230 HydrophobicContact CG-CG 4.15Å; L226-E230 WeakPolarHBondContact O-CB 3.3Å; L226-E230 VanDerWaalsContact O-CG 3.32Å; L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.02Å
227T98.8Very high98.5Very high8 Ų848 Ų485%0.04926%0.256CS..Hα-helixtrans-61.6-44176.1-60.60000111.7L158 Y191 I219 M223 A224 A225 R229 E230 M231 I233L158-T227 HydrophobicContact CD1-CG2 4.15Å; Y191-T227 HydrophobicContact CD1-CG2 3.69Å; Y191-T227 HydrophobicContact CD2-CG2 4.17Å; Y191-T227 HydrophobicContact CE1-CG2 4.08Å; Y191-T227 HydrophobicContact CE2-CG2 4.5Å; Y191-T227 HydrophobicContact CG-CG2 3.74Å; I219-T227 HydrophobicContact CD1-CG2 4.1Å; I219-T227 WeakPolarHBondContact CD1-OG1 3.41Å; M223-T227 PolarHBondContact O-N 3.37Å; M223-T227 PolarHBondContact O-OG1 3.46Å; A224-T227 PolarHBondContact O-N 2.53Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 3.38Å; T227-R229 VanDerWaalsContact C-N 3.26Å; T227-R229 PolarHBondContact O-N 2.88Å; T227-E230 PolarHBondContact O-N 3.22Å; T227-M231 HydrophobicContact CG2-CB 3.99Å; T227-M231 HydrophobicContact CG2-CG 3.92Å; T227-M231 VanDerWaalsContact O-CB 3.25Å; T227-M231 WeakPolarHBondContact O-CB 3.47Å; T227-M231 PolarHBondContact O-N 2.79Å; T227-I233 HydrophobicContact CG2-CD1 3.99Å; T227-I233 HydrophobicContact CG2-CG1 4.13Å
228M98.8Very high98.5Very high9 Ų945.5 Ų45.54%0.04424%0.24CC..Hα-helixtrans-58.7-38.6174.8-73.3173.7-170.400112.3L158 A224 A225 I233 V236 L258 A261 A262 H265 I267L158-M228 HydrophobicContact CD1-CE 4.22Å; L158-M228 HydrophobicContact CD1-CG 4.4Å; L158-M228 HydrophobicContact CD2-CE 4.4Å; A224-M228 VanDerWaalsContact O-CG 3.31Å; A224-M228 WeakPolarHBondContact O-CG 3.2Å; A224-M228 PolarHBondContact O-N 3.06Å; A225-M228 PolarHBondContact O-N 2.84Å; M228-I233 HydrophobicContact CG-CG1 4.47Å; M228-V236 HydrophobicContact CE-CG2 3.67Å; M228-L258 HydrophobicContact CE-CG 4.49Å; M228-A261 HydrophobicContact CE-CB 4.17Å; M228-A261 VanDerWaalsContact SD-C 3.54Å; M228-A261 HydrophobicContact SD-CB 3.66Å; M228-A262 HydrophobicContact CE-CB 4.22Å; M228-A262 HydrophobicContact SD-CB 4.39Å; M228-A262 PolarHBondContact SD-N 3.33Å; M228-H265 HydrophobicContact CB-CB 4.34Å; M228-I267 HydrophobicContact CB-CD1 3.64Å; M228-I267 HydrophobicContact CG-CD1 3.69Å; M228-I267 HydrophobicContact SD-CD1 4.3Å
229R98.3Very high98.5Very high160 Ų16041.6 Ų41.660%0.60422%0.22SC*.Hα-helixtrans-72.4-42.8179-167.9-179.275.8-172.93.8113.6A225 L226 T227A225-R229 PolarHBondContact O-N 2.91Å; L226-R229 PolarHBondContact O-N 3.5Å; T227-R229 VanDerWaalsContact C-N 3.26Å; T227-R229 PolarHBondContact O-N 2.88Å
230E98.4Very high98.3Very high105 Ų10541.7 Ų41.749%0.49122%0.223SC..Hα-helixtrans-99.3-26.4-167.1-59.3-63.8153.400113.9L226 T227L226-E230 HydrophobicContact CD1-CG 3.63Å; L226-E230 HydrophobicContact CG-CG 4.15Å; L226-E230 WeakPolarHBondContact O-CB 3.3Å; L226-E230 VanDerWaalsContact O-CG 3.32Å; L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.02Å; T227-E230 PolarHBondContact O-N 3.22Å
231M98.1Very high98Very high87 Ų8742.5 Ų42.543%0.42923%0.226SC..THydrogen-bonded Turntrans-106.715.4-165-55.7-59.7175.900114.3Y191 T227 I233Y191-M231 HydrophobicContact CE1-CB 4.4Å; Y191-M231 HydrophobicContact CE1-CG 4.13Å; Y191-M231 HydrophobicContact CE2-CB 3.81Å; Y191-M231 HydrophobicContact CE2-CG 4.42Å; Y191-M231 WeakPolarHBondContact OH-CB 3.48Å; Y191-M231 WeakPolarHBondContact OH-CG 3.25Å; T227-M231 HydrophobicContact CG2-CB 3.99Å; T227-M231 HydrophobicContact CG2-CG 3.92Å; T227-M231 VanDerWaalsContact O-CB 3.25Å; T227-M231 WeakPolarHBondContact O-CB 3.47Å; T227-M231 PolarHBondContact O-N 2.79Å; M231-I233 VanDerWaalsContact C-N 3.29Å; M231-I233 HydrophobicContact CB-CD1 4.37Å; M231-I233 PolarHBondContact O-N 2.84Å
232D95.4Very high97.7Very high73 Ų7344.2 Ų44.239%0.3923%0.231SC..THydrogen-bonded Turntrans53.547.1174.7-171.441.3000111.9R152 T156 T234R152-D232 IonicContact CZ-OD1 2.79Å; R152-D232 IonicContact CZ-OD2 3.31Å; R152-D232 IonicContact NH1-OD1 3.64Å; R152-D232 PolarHBondContact NH1-OD1 3.32Å; R152-D232 IonicContact NH1-OD2 3.49Å; R152-D232 PolarHBondContact NH1-OD2 3.22Å; R152-D232 IonicContact NH2-OD1 3.58Å; R152-D232 PolarHBondContact NH2-OD1 2.92Å; R152-D232 VanDerWaalsContact NH2-OD1 3.1Å; T156-D232 VanDerWaalsContact CB-O 3.28Å; T156-D232 WeakPolarHBondContact CB-O 3.41Å; T156-D232 PolarHBondContact OG1-O 3.43Å; D232-T234 PolarHBondContact O-N 3.16Å
233I98.4Very high97.5Very high11 Ų1139.3 Ų39.36%0.05620%0.197CC..  trans-65.8125.9176.2-58.9-57.3000108.6T156 L158 Y191 T227 M228 M231 A235 I267T156-I233 HydrophobicContact CG2-CD1 3.66Å; L158-I233 HydrophobicContact CB-CD1 4.25Å; L158-I233 HydrophobicContact CB-CG2 3.97Å; Y191-I233 HydrophobicContact CD2-CD1 3.43Å; Y191-I233 VanDerWaalsContact CD2-CD1 3.43Å; Y191-I233 HydrophobicContact CE2-CD1 3.89Å; Y191-I233 HydrophobicContact CG-CD1 4.2Å; T227-I233 HydrophobicContact CG2-CD1 3.99Å; T227-I233 HydrophobicContact CG2-CG1 4.13Å; M228-I233 HydrophobicContact CG-CG1 4.47Å; M231-I233 VanDerWaalsContact C-N 3.29Å; M231-I233 HydrophobicContact CB-CD1 4.37Å; M231-I233 PolarHBondContact O-N 2.84Å; I233-A235 WeakPolarHBondContact CG2-O 3.34Å; I233-I267 HydrophobicContact CB-CD1 3.93Å; I233-I267 HydrophobicContact CG2-CD1 4.1Å; I233-I267 HydrophobicContact CG2-CG2 4.08Å
234T98.1Very high97.4Very high12 Ų1235.3 Ų35.37%0.07418%0.177CC..  trans-101.1-23.3-177.757.70000112.6V150 V155 T156 D232 P268V150-T234 HydrophobicContact CG1-CG2 4.29Å; V155-T234 WeakPolarHBondContact CA-OG1 3.46Å; V155-T234 VanDerWaalsContact CB-OG1 3.25Å; V155-T234 WeakPolarHBondContact CB-OG1 3.21Å; T156-T234 PolarHBondContact N-OG1 3.17Å; T156-T234 PolarHBondContact O-N 3.38Å; T156-T234 PolarHBondContact O-OG1 3.28Å; T156-T234 VanDerWaalsContact O-OG1 3.05Å; D232-T234 PolarHBondContact O-N 3.16Å; T234-P268 WeakPolarHBondContact O-CD 3.45Å; T234-P268 WeakPolarHBondContact O-CG 3.43Å
235A98.7Very high97.3Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-154.9147.317700000111.1I146 V157 L158 I233 V237 P268 Y270I146-A235 HydrophobicContact CD1-CB 4.24Å; I146-A235 HydrophobicContact CG1-CB 4.32Å; I146-A235 HydrophobicContact CG2-CB 4.08Å; V157-A235 WeakPolarHBondContact CA-O 3.46Å; L158-A235 PolarHBondContact N-O 3.32Å; I233-A235 WeakPolarHBondContact CG2-O 3.34Å; A235-V237 HydrophobicContact CB-CG2 4.47Å; A235-P268 HydrophobicContact CB-CG 4.42Å; A235-Y270 HydrophobicContact CB-CD2 4.26Å; A235-Y270 HydrophobicContact CB-CE2 4.19Å
236V98.9Very high97.2Very high0 Ų035.7 Ų35.70%017%0.174CC..EExtended strand (participates in β ladder)trans-105.4128.8164.7-179.20000107.9L158 M228 V238 L258 A262 I267 P268 F269 Y270L158-V236 HydrophobicContact CB-CG2 4.34Å; L158-V236 HydrophobicContact CD2-CG1 4.15Å; L158-V236 HydrophobicContact CD2-CG2 4.48Å; L158-V236 WeakPolarHBondContact O-CA 3.26Å; M228-V236 HydrophobicContact CE-CG2 3.67Å; V236-V238 HydrophobicContact CG1-CG1 4.16Å; V236-L258 HydrophobicContact CG1-CD2 4.4Å; V236-A262 HydrophobicContact CG2-CB 3.95Å; V236-I267 HydrophobicContact CG2-CG2 4.03Å; V236-P268 PolarHBondContact N-O 3.32Å; V236-F269 HydrophobicContact CB-CD2 3.71Å; V236-F269 HydrophobicContact CB-CE2 4.23Å; V236-F269 HydrophobicContact CB-CG 4.48Å; V236-F269 HydrophobicContact CG1-CD2 3.5Å; V236-F269 HydrophobicContact CG1-CE2 3.48Å; V236-F269 VanDerWaalsContact CG1-CE2 3.48Å; V236-F269 HydrophobicContact CG1-CZ 4.48Å; V236-F269 HydrophobicContact CG2-CD2 4.44Å; V236-Y270 PolarHBondContact O-N 3.24Å
237V98.9Very high97.2Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-129.5120.2178.1-165.60000109.2I146 V157 L158 T159 A174 V177 A235 Y270 A272 I331I146-V237 HydrophobicContact CD1-CG2 3.57Å; V157-V237 HydrophobicContact CG1-CB 4.27Å; V157-V237 HydrophobicContact CG1-CG2 3.87Å; L158-V237 PolarHBondContact O-N 2.74Å; T159-V237 WeakPolarHBondContact CA-O 3.38Å; T159-V237 VanDerWaalsContact CB-O 3.31Å; T159-V237 WeakPolarHBondContact CB-O 3.39Å; T159-V237 PolarHBondContact OG1-O 2.87Å; A174-V237 HydrophobicContact CB-CB 4.33Å; A174-V237 HydrophobicContact CB-CG1 3.7Å; V177-V237 HydrophobicContact CB-CG1 4.34Å; V177-V237 HydrophobicContact CG1-CG2 4.49Å; V177-V237 HydrophobicContact CG2-CG1 4.33Å; A235-V237 HydrophobicContact CB-CG2 4.47Å; V237-Y270 WeakPolarHBondContact CA-O 3.47Å; V237-Y270 HydrophobicContact CG2-CD2 4.4Å; V237-A272 HydrophobicContact CG1-CB 4.18Å; V237-I331 HydrophobicContact CG1-CD1 4.25Å
238V98.9Very high97.2Very high0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans-122.6162.5-179-61.40000110.9H160 A174 V236 T255 F269 Y270 V271 A272H160-V238 HydrophobicContact CB-CG1 4.02Å; A174-V238 VanDerWaalsContact CB-C 3.47Å; V236-V238 HydrophobicContact CG1-CG1 4.16Å; V238-T255 HydrophobicContact CB-CG2 4.35Å; V238-T255 HydrophobicContact CG1-CG2 4.39Å; V238-T255 HydrophobicContact CG2-CG2 3.9Å; V238-F269 HydrophobicContact CB-CZ 4.34Å; V238-F269 HydrophobicContact CG1-CE2 4.18Å; V238-F269 HydrophobicContact CG1-CZ 3.88Å; V238-F269 HydrophobicContact CG2-CE1 3.63Å; V238-F269 HydrophobicContact CG2-CE2 4.48Å; V238-F269 HydrophobicContact CG2-CZ 3.5Å; V238-F269 VanDerWaalsContact CG2-CZ 3.5Å; V238-Y270 WeakPolarHBondContact CG2-O 3.08Å; V238-Y270 PolarHBondContact N-O 2.96Å; V238-V271 HydrophobicContact CG2-CG2 3.99Å; V238-V271 CarbonylContact O-C 3.28Å; V238-A272 PolarHBondContact O-N 2.82Å
239G97.9Very high97.2Very high1 Ų131.4 Ų31.41%0.0115%0.151CC..  trans-81.4-169.5169.700000112.3N251 A272G239-N251 VanDerWaalsContact O-CG 3.22Å; G239-N251 PolarHBondContact O-ND2 3.22Å; G239-A272 WeakPolarHBondContact CA-O 3.32Å
240A95.7Very high97.1Very high19 Ų1924 Ų2416%0.15712%0.124CC..  trans-142.4146.2166.300000110.4V243 T249 V271 A273A240-V243 HydrophobicContact CB-CG2 3.61Å; A240-T249 HydrophobicContact CB-CG2 3.63Å; A240-V271 HydrophobicContact CB-CG1 3.85Å; A240-A273 HydrophobicContact CB-CB 3.76Å
241D91.6Very high97.1Very high57 Ų5719.2 Ų19.231%0.30510%0.102SC..SBendtrans-87.7-35.5162.5-82.7-110.7000110.1A250 F318D241-A250 PolarHBondContact N-O 2.85Å; D241-F318 HydrophobicContact CB-CD1 4.43Å; D241-F318 HydrophobicContact CB-CE1 4.11Å; D241-F318 WeakPolarHBondContact OD1-CE1 3.15Å; D241-F318 VanDerWaalsContact OD1-CZ 3.26Å; D241-F318 WeakPolarHBondContact OD1-CZ 3.37Å; D241-F318 VanDerWaalsContact OD2-CE1 3.23Å; D241-F318 WeakPolarHBondContact OD2-CE1 3.37Å
242R92.7Very high97Very high61 Ų6115.5 Ų15.523%0.238%0.083CC..EExtended strand (participates in β ladder)trans-153.6133.8174.7-167.7-177.1-57.4-157.612111.2V91 V244 T249 A250 S277 D279V91-R242 VanDerWaalsContact CG2-CZ 3.45Å; R242-V244 HydrophobicContact CG-CG1 4.34Å; R242-T249 CarbonylContact O-C 3.5Å; R242-T249 WeakPolarHBondContact O-CA 3.45Å; R242-A250 HydrophobicContact CB-CB 4.37Å; R242-A250 PolarHBondContact N-O 3.47Å; R242-A250 VanDerWaalsContact N-O 3.11Å; R242-A250 PolarHBondContact O-N 3.01Å; R242-S277 WeakPolarHBondContact CA-O 3.47Å; R242-D279 HydrophobicContact CG-CB 3.76Å; R242-D279 IonicContact CZ-OD2 2.79Å; R242-D279 IonicContact NE-OD2 3.12Å; R242-D279 IonicContact NH1-OD2 3.71Å; R242-D279 PolarHBondContact NH1-OD2 3.37Å
243V96Very high97.2Very high0 Ų013.9 Ų13.90%08%0.076CC..EExtended strand (participates in β ladder)trans-114.4126.3168.4-175.80000108.2A240 T249 V271 A273 S277 C278 D279 I330 L342A240-V243 HydrophobicContact CB-CG2 3.61Å; V243-T249 HydrophobicContact CG2-CG2 4.16Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; V243-A273 HydrophobicContact CG2-CB 4.17Å; V243-S277 PolarHBondContact N-O 2.85Å; V243-C278 CarbonylContact O-C 3.6Å; V243-C278 VanDerWaalsContact O-CA 3.23Å; V243-C278 WeakPolarHBondContact O-CA 3.5Å; V243-D279 PolarHBondContact O-N 2.82Å; V243-I330 HydrophobicContact CG1-CD1 4.01Å; V243-L342 HydrophobicContact CG1-CD2 3.51Å
244V96.3Very high97.2Very high0 Ų014 Ų140%08%0.08CC..EExtended strand (participates in β ladder)trans-96.6179.6-178.3-60.70000112.2R242 N246 G247 D248 D279 L282 I288R242-V244 HydrophobicContact CG-CG1 4.34Å; V244-N246 VanDerWaalsContact C-N 3.33Å; V244-N246 VanDerWaalsContact CG2-OD1 3.29Å; V244-N246 WeakPolarHBondContact CG2-OD1 3.32Å; V244-N246 PolarHBondContact O-N 2.7Å; V244-G247 WeakPolarHBondContact O-CA 3.46Å; V244-G247 PolarHBondContact O-N 3.18Å; V244-D248 HydrophobicContact CG2-CB 3.66Å; V244-D248 WeakPolarHBondContact CG2-O 3.33Å; V244-D248 PolarHBondContact N-O 3.33Å; V244-D279 WeakPolarHBondContact CA-O 3.41Å; V244-L282 HydrophobicContact CB-CB 4.01Å; V244-L282 HydrophobicContact CG1-CB 3.64Å; V244-L282 HydrophobicContact CG1-CD1 3.97Å; V244-L282 HydrophobicContact CG1-CG 4.38Å; V244-I288 HydrophobicContact CG1-CD1 3.77Å; V244-I288 HydrophobicContact CG1-CG1 4.06Å
245A96.4Very high97.2Very high10 Ų1013.4 Ų13.48%0.0838%0.076CC..THydrogen-bonded Turntrans-57.7-38.3-168.500000114.6G247 L280 L282A245-G247 PolarHBondContact O-N 2.84Å; A245-L280 HydrophobicContact CB-CD2 4.31Å; A245-L282 VanDerWaalsContact CB-O 3.23Å; A245-L282 WeakPolarHBondContact CB-O 3.24Å; A245-L282 PolarHBondContact N-O 3.46Å
246N97.3Very high97.2Very high47 Ų4718.1 Ų18.125%0.25110%0.095SC..THydrogen-bonded Turntrans-80.5-1.5176.573.1-11.9000114.1V244 D248 E283 H323V244-N246 VanDerWaalsContact C-N 3.33Å; V244-N246 VanDerWaalsContact CG2-OD1 3.29Å; V244-N246 WeakPolarHBondContact CG2-OD1 3.32Å; V244-N246 PolarHBondContact O-N 2.7Å; N246-D248 VanDerWaalsContact ND2-CG 3.31Å; N246-D248 PolarHBondContact ND2-OD2 3.31Å; N246-D248 VanDerWaalsContact OD1-CB 3.29Å; N246-D248 WeakPolarHBondContact OD1-CB 3.5Å; N246-D248 VanDerWaalsContact OD1-CG 3.23Å; N246-D248 PolarHBondContact OD1-N 3.09Å; N246-D248 PolarHBondContact OD1-OD2 3.3Å; N246-E283 WeakPolarHBondContact CB-O 3.16Å; N246-E283 PolarHBondContact OD1-O 3.38Å; N246-H323 PolarHBondContact ND2-CD2 3.36Å; N246-H323 VanDerWaalsContact O-CB 3.26Å; N246-H323 WeakPolarHBondContact O-CB 3.44Å; N246-H323 VanDerWaalsContact O-CG 3.3Å
247G98.1Very high97.2Very high0 Ų023.3 Ų23.30%012%0.119CC..  trans87.11.1-176.800000115.3V244 A245 T249 I326V244-G247 WeakPolarHBondContact O-CA 3.46Å; V244-G247 PolarHBondContact O-N 3.18Å; A245-G247 PolarHBondContact O-N 2.84Å; G247-T249 PolarHBondContact O-N 2.99Å; G247-T249 PolarHBondContact O-OG1 2.85Å; G247-I326 WeakPolarHBondContact O-CD1 3.35Å
248D98.7Very high97.2Very high16 Ų1623.3 Ų23.39%0.08612%0.119CC..  trans-55.7134.4170.2-72.2-23.5000108.8V244 N246 G285 V320 P322 H323V244-D248 HydrophobicContact CG2-CB 3.66Å; V244-D248 WeakPolarHBondContact CG2-O 3.33Å; V244-D248 PolarHBondContact N-O 3.33Å; N246-D248 VanDerWaalsContact ND2-CG 3.31Å; N246-D248 PolarHBondContact ND2-OD2 3.31Å; N246-D248 VanDerWaalsContact OD1-CB 3.29Å; N246-D248 WeakPolarHBondContact OD1-CB 3.5Å; N246-D248 VanDerWaalsContact OD1-CG 3.23Å; N246-D248 PolarHBondContact OD1-N 3.09Å; N246-D248 PolarHBondContact OD1-OD2 3.3Å; D248-G285 PolarHBondContact OD2-N 3.41Å; D248-V320 HydrophobicContact CB-CG1 4.1Å; D248-P322 VanDerWaalsContact OD1-CA 3.25Å; D248-P322 WeakPolarHBondContact OD1-CA 3.43Å; D248-H323 IonicContact OD1-CD2 3.59Å; D248-H323 PolarHBondContact OD1-CD2 2.66Å; D248-H323 VanDerWaalsContact OD1-CD2 3.23Å; D248-H323 IonicContact OD1-CG 2.79Å; D248-H323 PolarHBondContact OD1-N 3.12Å
249T98.4Very high97.2Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-122.1115.6-168.7-64.20000110.3A240 R242 V243 G247 N251 V271 V320 T321 I326A240-T249 HydrophobicContact CB-CG2 3.63Å; R242-T249 CarbonylContact O-C 3.5Å; R242-T249 WeakPolarHBondContact O-CA 3.45Å; V243-T249 HydrophobicContact CG2-CG2 4.16Å; G247-T249 PolarHBondContact O-N 2.99Å; G247-T249 PolarHBondContact O-OG1 2.85Å; T249-N251 HydrophobicContact CG2-CB 4.36Å; T249-V271 HydrophobicContact CG2-CG1 3.83Å; T249-V271 HydrophobicContact CG2-CG2 4.05Å; T249-V320 CarbonylContact O-C 3.48Å; T249-V320 WeakPolarHBondContact O-CA 3.3Å; T249-T321 PolarHBondContact N-O 3.22Å; T249-T321 PolarHBondContact O-N 3.49Å; T249-I326 WeakPolarHBondContact OG1-CD1 3.46Å
250A97Very high97.3Very high5 Ų527.1 Ų27.14%0.04114%0.138CC..EExtended strand (participates in β ladder)trans-81.6125.5163.500000110D241 R242 I288 D319 V320D241-A250 PolarHBondContact N-O 2.85Å; R242-A250 HydrophobicContact CB-CB 4.37Å; R242-A250 PolarHBondContact N-O 3.47Å; R242-A250 VanDerWaalsContact N-O 3.11Å; R242-A250 PolarHBondContact O-N 3.01Å; A250-I288 HydrophobicContact CB-CD1 3.67Å; A250-I288 HydrophobicContact CB-CG2 3.96Å; A250-D319 WeakPolarHBondContact CA-O 3.47Å; A250-V320 HydrophobicContact CB-CG2 4.4Å
251N96.9Very high97.4Very high4 Ų427 Ų272%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-149.3175.9176.3-170.138.2000109.6G239 T249 V253 T255 F318 D319G239-N251 VanDerWaalsContact O-CG 3.22Å; G239-N251 PolarHBondContact O-ND2 3.22Å; T249-N251 HydrophobicContact CG2-CB 4.36Å; N251-V253 PolarHBondContact O-N 3.38Å; N251-T255 HydrophobicContact CB-CG2 3.89Å; N251-T255 WeakPolarHBondContact CB-OG1 3.43Å; N251-T255 PolarHBondContact ND2-OG1 3.17Å; N251-F318 CarbonylContact O-C 3.54Å; N251-F318 WeakPolarHBondContact O-CA 3.22Å; N251-F318 WeakPolarHBondContact O-CB 3.28Å; N251-D319 PolarHBondContact N-O 3.45Å; N251-D319 VanDerWaalsContact N-O 3.11Å; N251-D319 PolarHBondContact O-N 2.83Å
252K97Very high97.8Very high9 Ų924.3 Ų24.34%0.03912%0.123CC..EExtended strand (participates in β ladder)trans-46.8133.6180-171.651.349.5-154.50112C161 T195 G254 T255 A317C161-K252 HydrophobicContact CB-CB 3.79Å; C161-K252 HydrophobicContact CB-CG 3.94Å; T195-K252 HydrophobicContact CG2-CB 4.43Å; T195-K252 HydrophobicContact CG2-CD 4.16Å; T195-K252 HydrophobicContact CG2-CG 3.3Å; K252-G254 PolarHBondContact O-N 3.43Å; K252-T255 WeakPolarHBondContact O-CB 3.47Å; K252-T255 PolarHBondContact O-N 3.34Å; K252-T255 PolarHBondContact O-OG1 3.36Å; K252-A317 VanDerWaalsContact CD-O 3.32Å; K252-A317 WeakPolarHBondContact CD-O 3.42Å; K252-A317 WeakPolarHBondContact CE-O 3.26Å; K252-A317 PolarHBondContact NZ-O 3.22Å
253V98.5Very high98.1Very high40 Ų4026.9 Ų26.924%0.24214%0.136CC..THydrogen-bonded Turntrans-50.9132.1178.667.70000110.9H160 N251 P316 A317 D319H160-V253 PolarHBondContact NE2-O 2.9Å; N251-V253 PolarHBondContact O-N 3.38Å; V253-P316 WeakPolarHBondContact CG1-O 3.15Å; V253-P316 HydrophobicContact CG2-CG 4.34Å; V253-A317 PolarHBondContact N-O 3.11Å; V253-D319 WeakPolarHBondContact CA-OD2 3.46Å
254G98.8Very high98.2Very high13 Ų1334 Ų3413%0.13417%0.169CC..THydrogen-bonded Turntrans109.5-23.2-167.600000112.6K252 Y256 Q257 L258 D319K252-G254 PolarHBondContact O-N 3.43Å; G254-Y256 PolarHBondContact O-N 3.3Å; G254-Q257 WeakPolarHBondContact O-CB 3.5Å; G254-Q257 PolarHBondContact O-N 3.01Å; G254-L258 WeakPolarHBondContact O-CD1 3.17Å; G254-L258 PolarHBondContact O-N 3.14Å; G254-D319 PolarHBondContact N-OD2 3.48Å
255T98.9Very high98.3Very high0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-59.9-49.1179-58.60000111.8H160 V238 N251 K252 Q257 L258 A259 F269 D319 T321H160-T255 PolarHBondContact CD2-OG1 3.49Å; V238-T255 HydrophobicContact CB-CG2 4.35Å; V238-T255 HydrophobicContact CG1-CG2 4.39Å; V238-T255 HydrophobicContact CG2-CG2 3.9Å; N251-T255 HydrophobicContact CB-CG2 3.89Å; N251-T255 WeakPolarHBondContact CB-OG1 3.43Å; N251-T255 PolarHBondContact ND2-OG1 3.17Å; K252-T255 WeakPolarHBondContact O-CB 3.47Å; K252-T255 PolarHBondContact O-N 3.34Å; K252-T255 PolarHBondContact O-OG1 3.36Å; T255-Q257 VanDerWaalsContact C-N 3.3Å; T255-Q257 PolarHBondContact O-N 3.32Å; T255-L258 WeakPolarHBondContact O-CB 3.39Å; T255-L258 PolarHBondContact O-N 3.18Å; T255-A259 PolarHBondContact O-N 2.98Å; T255-F269 HydrophobicContact CG2-CE1 4.47Å; T255-F269 HydrophobicContact CG2-CZ 3.81Å; T255-D319 WeakPolarHBondContact CB-OD1 3.47Å; T255-D319 PolarHBondContact N-OD2 3.16Å; T255-T321 WeakPolarHBondContact CG2-OG1 3.09Å
256Y98.9Very high98.4Very high99 Ų9939.7 Ų39.739%0.38821%0.212SC..Hα-helixtrans-59.4-42.1177172.3-128.7000112G254 L258 A259 I260 D319 T321 P322 L325G254-Y256 PolarHBondContact O-N 3.3Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.11Å; Y256-A259 PolarHBondContact O-N 3.14Å; Y256-I260 HydrophobicContact CD1-CD1 4.07Å; Y256-I260 HydrophobicContact CD2-CD1 4.09Å; Y256-I260 HydrophobicContact CD2-CG1 4.23Å; Y256-I260 HydrophobicContact CE1-CD1 3.62Å; Y256-I260 HydrophobicContact CE2-CD1 3.65Å; Y256-I260 HydrophobicContact CE2-CG1 3.82Å; Y256-I260 HydrophobicContact CG-CD1 4.29Å; Y256-I260 WeakPolarHBondContact O-CG1 3.42Å; Y256-I260 PolarHBondContact O-N 2.99Å; Y256-D319 VanDerWaalsContact CB-CG 3.45Å; Y256-D319 WeakPolarHBondContact CB-OD1 3.45Å; Y256-D319 PolarHBondContact N-OD1 3.4Å; Y256-D319 PolarHBondContact N-OD2 3.04Å; Y256-T321 WeakPolarHBondContact CA-OG1 3.08Å; Y256-T321 PolarHBondContact N-OG1 2.8Å; Y256-P322 HydrophobicContact CE2-CG 4.14Å; Y256-L325 HydrophobicContact CD2-CD1 3.92Å; Y256-L325 HydrophobicContact CE2-CD1 3.63Å
257Q98.9Very high98.4Very high108 Ų10838 Ų3851%0.50520%0.203SC..Hα-helixtrans-61-42.7176.3-177.1179.6-75.600111.8G254 T255 A259 I260 A261G254-Q257 WeakPolarHBondContact O-CB 3.5Å; G254-Q257 PolarHBondContact O-N 3.01Å; T255-Q257 VanDerWaalsContact C-N 3.3Å; T255-Q257 PolarHBondContact O-N 3.32Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-I260 PolarHBondContact O-N 2.98Å; Q257-A261 PolarHBondContact O-N 3.45Å; Q257-A261 VanDerWaalsContact O-N 3.07Å
258L98.9Very high98.5Very high1 Ų140 Ų401%0.00522%0.215CC..Hα-helixtrans-63-40.6175.4-93.965.6000111.5L158 H160 A224 M228 V236 G254 T255 Y256 A261 A262 F269L158-L258 HydrophobicContact CD2-CD2 3.43Å; L158-L258 VanDerWaalsContact CD2-CD2 3.43Å; L158-L258 HydrophobicContact CD2-CG 4.13Å; H160-L258 HydrophobicContact CB-CD2 3.66Å; A224-L258 HydrophobicContact CB-CD1 4.1Å; A224-L258 HydrophobicContact CB-CG 4.39Å; M228-L258 HydrophobicContact CE-CG 4.49Å; V236-L258 HydrophobicContact CG1-CD2 4.4Å; G254-L258 WeakPolarHBondContact O-CD1 3.17Å; G254-L258 PolarHBondContact O-N 3.14Å; T255-L258 WeakPolarHBondContact O-CB 3.39Å; T255-L258 PolarHBondContact O-N 3.18Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.11Å; L258-A261 PolarHBondContact O-N 2.84Å; L258-A262 VanDerWaalsContact O-CB 3.27Å; L258-A262 WeakPolarHBondContact O-CB 3.34Å; L258-A262 PolarHBondContact O-N 2.96Å; L258-F269 HydrophobicContact CB-CE2 4.04Å
259A98.9Very high98.5Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-65.1-38.7178.700000112.2T255 Y256 Q257 K263 F269 T321 L325T255-A259 PolarHBondContact O-N 2.98Å; Y256-A259 PolarHBondContact O-N 3.14Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; A259-K263 WeakPolarHBondContact O-CB 3.27Å; A259-K263 PolarHBondContact O-N 2.93Å; A259-F269 HydrophobicContact CB-CD1 4.19Å; A259-F269 HydrophobicContact CB-CD2 3.84Å; A259-F269 HydrophobicContact CB-CE1 4.07Å; A259-F269 HydrophobicContact CB-CE2 3.7Å; A259-F269 HydrophobicContact CB-CG 4.08Å; A259-F269 HydrophobicContact CB-CZ 3.82Å; A259-T321 HydrophobicContact CB-CG2 3.55Å; A259-L325 HydrophobicContact CB-CB 3.83Å; A259-L325 HydrophobicContact CB-CD1 4.05Å
260I98.9Very high98.5Very high80 Ų8039.7 Ų39.741%0.4121%0.213SC..Hα-helixtrans-60.8-50.5172.4-67161.2000110.7Y256 Q257 A262 K263 H264 L325Y256-I260 HydrophobicContact CD1-CD1 4.07Å; Y256-I260 HydrophobicContact CD2-CD1 4.09Å; Y256-I260 HydrophobicContact CD2-CG1 4.23Å; Y256-I260 HydrophobicContact CE1-CD1 3.62Å; Y256-I260 HydrophobicContact CE2-CD1 3.65Å; Y256-I260 HydrophobicContact CE2-CG1 3.82Å; Y256-I260 HydrophobicContact CG-CD1 4.29Å; Y256-I260 WeakPolarHBondContact O-CG1 3.42Å; Y256-I260 PolarHBondContact O-N 2.99Å; Q257-I260 PolarHBondContact O-N 2.98Å; I260-A262 PolarHBondContact O-N 2.99Å; I260-K263 PolarHBondContact O-N 2.79Å; I260-H264 PolarHBondContact O-N 3.38Å; I260-L325 HydrophobicContact CG1-CD1 3.92Å
261A98.9Very high98.6Very high17 Ų1739.4 Ų39.414%0.1421%0.211CC..Hα-helixtrans-63.7-41.4-179.300000111.8A225 M228 Q257 L258 K263 H264 H265A225-A261 HydrophobicContact CB-CB 4.32Å; M228-A261 HydrophobicContact CE-CB 4.17Å; M228-A261 VanDerWaalsContact SD-C 3.54Å; M228-A261 HydrophobicContact SD-CB 3.66Å; Q257-A261 PolarHBondContact O-N 3.45Å; Q257-A261 VanDerWaalsContact O-N 3.07Å; L258-A261 PolarHBondContact O-N 2.84Å; A261-K263 PolarHBondContact O-N 2.93Å; A261-H264 WeakPolarHBondContact O-CB 3.45Å; A261-H264 PolarHBondContact O-N 3.14Å; A261-H265 PolarHBondContact O-CD2 3.15Å; A261-H265 PolarHBondContact O-N 3.23Å
262A98.8Very high98.7Very high0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-59.3-46.4176.700000111.2M228 V236 L258 I260 H264 H265 G266 I267 F269M228-A262 HydrophobicContact CE-CB 4.22Å; M228-A262 HydrophobicContact SD-CB 4.39Å; M228-A262 PolarHBondContact SD-N 3.33Å; V236-A262 HydrophobicContact CG2-CB 3.95Å; L258-A262 VanDerWaalsContact O-CB 3.27Å; L258-A262 WeakPolarHBondContact O-CB 3.34Å; L258-A262 PolarHBondContact O-N 2.96Å; I260-A262 PolarHBondContact O-N 2.99Å; A262-H264 PolarHBondContact O-N 2.8Å; A262-H265 CarbonylContact O-C 3.59Å; A262-H265 PolarHBondContact O-N 2.96Å; A262-G266 PolarHBondContact O-N 3.23Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.41Å; A262-F269 HydrophobicContact CB-CB 4.28Å; A262-F269 HydrophobicContact CB-CD2 4.04Å
263K98.8Very high98.7Very high115 Ų11538.9 Ų38.950%0.521%0.208SC..Hα-helixtrans-60.7-43.1175.3-178.8171.7179.4173.20112.2A259 I260 A261 H265 G266 L325A259-K263 WeakPolarHBondContact O-CB 3.27Å; A259-K263 PolarHBondContact O-N 2.93Å; I260-K263 PolarHBondContact O-N 2.79Å; A261-K263 PolarHBondContact O-N 2.93Å; K263-H265 VanDerWaalsContact C-N 3.26Å; K263-H265 PolarHBondContact O-N 2.91Å; K263-G266 PolarHBondContact O-N 3.48Å; K263-L325 HydrophobicContact CB-CD2 4.35Å; K263-L325 HydrophobicContact CD-CD2 3.33Å; K263-L325 HydrophobicContact CG-CD2 4.47Å
264H98.8Very high98.5Very high150 Ų15037.2 Ų37.269%0.69420%0.198SC*.Hα-helixtrans-58.9-38.1177176.372.2000112.3I260 A261 A262I260-H264 PolarHBondContact O-N 3.38Å; A261-H264 WeakPolarHBondContact O-CB 3.45Å; A261-H264 PolarHBondContact O-N 3.14Å; A262-H264 PolarHBondContact O-N 2.8Å
265H98.7Very high98.3Very high61 Ų6137.8 Ų37.828%0.28220%0.201SC..THydrogen-bonded Turntrans-90.63.4179.6-66.9-62.6000114.5A225 M228 A261 A262 K263 I267A225-H265 PolarHBondContact O-NE2 3Å; M228-H265 HydrophobicContact CB-CB 4.34Å; A261-H265 PolarHBondContact O-CD2 3.15Å; A261-H265 PolarHBondContact O-N 3.23Å; A262-H265 CarbonylContact O-C 3.59Å; A262-H265 PolarHBondContact O-N 2.96Å; K263-H265 VanDerWaalsContact C-N 3.26Å; K263-H265 PolarHBondContact O-N 2.91Å; H265-I267 VanDerWaalsContact C-N 3.27Å; H265-I267 HydrophobicContact CB-CD1 3.76Å; H265-I267 HydrophobicContact CB-CG1 4.07Å; H265-I267 PolarHBondContact O-N 3.17Å
266G98.2Very high97.9Very high68 Ų6840.1 Ų40.170%0.70122%0.215SC*.THydrogen-bonded Turntrans66.626.6-178.900000114.1A262 K263A262-G266 PolarHBondContact O-N 3.23Å; K263-G266 PolarHBondContact O-N 3.48Å
267I98.6Very high97.6Very high13 Ų1335.8 Ų35.87%0.06720%0.199CC..  trans-94.9131-179.6-61.9165.2000109M228 I233 V236 A262 H265 F269M228-I267 HydrophobicContact CB-CD1 3.64Å; M228-I267 HydrophobicContact CG-CD1 3.69Å; M228-I267 HydrophobicContact SD-CD1 4.3Å; I233-I267 HydrophobicContact CB-CD1 3.93Å; I233-I267 HydrophobicContact CG2-CD1 4.1Å; I233-I267 HydrophobicContact CG2-CG2 4.08Å; V236-I267 HydrophobicContact CG2-CG2 4.03Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.41Å; H265-I267 VanDerWaalsContact C-N 3.27Å; H265-I267 HydrophobicContact CB-CD1 3.76Å; H265-I267 HydrophobicContact CB-CG1 4.07Å; H265-I267 PolarHBondContact O-N 3.17Å; I267-F269 PolarHBondContact O-N 2.96Å
268P98.5Very high97.4Very high40 Ų4031.1 Ų31.126%0.2618%0.178SC..  trans-65.4131.417727.5-34.9000111.3T234 A235 V236 Y270 T327T234-P268 WeakPolarHBondContact O-CD 3.45Å; T234-P268 WeakPolarHBondContact O-CG 3.43Å; A235-P268 HydrophobicContact CB-CG 4.42Å; V236-P268 PolarHBondContact N-O 3.32Å; P268-Y270 HydrophobicContact CB-CD2 4.45Å; P268-Y270 HydrophobicContact CB-CE2 3.71Å; P268-Y270 HydrophobicContact CG-CE2 4.01Å; P268-T327 WeakPolarHBondContact CA-OG1 3.39Å
269F98.9Very high97Very high0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-107119.2179.5-171.5-83.4000110.6V236 V238 T255 L258 A259 A262 I267 V271 T321 L325 I326 T327 G328V236-F269 HydrophobicContact CB-CD2 3.71Å; V236-F269 HydrophobicContact CB-CE2 4.23Å; V236-F269 HydrophobicContact CB-CG 4.48Å; V236-F269 HydrophobicContact CG1-CD2 3.5Å; V236-F269 HydrophobicContact CG1-CE2 3.48Å; V236-F269 VanDerWaalsContact CG1-CE2 3.48Å; V236-F269 HydrophobicContact CG1-CZ 4.48Å; V236-F269 HydrophobicContact CG2-CD2 4.44Å; V238-F269 HydrophobicContact CB-CZ 4.34Å; V238-F269 HydrophobicContact CG1-CE2 4.18Å; V238-F269 HydrophobicContact CG1-CZ 3.88Å; V238-F269 HydrophobicContact CG2-CE1 3.63Å; V238-F269 HydrophobicContact CG2-CE2 4.48Å; V238-F269 HydrophobicContact CG2-CZ 3.5Å; V238-F269 VanDerWaalsContact CG2-CZ 3.5Å; T255-F269 HydrophobicContact CG2-CE1 4.47Å; T255-F269 HydrophobicContact CG2-CZ 3.81Å; L258-F269 HydrophobicContact CB-CE2 4.04Å; A259-F269 HydrophobicContact CB-CD1 4.19Å; A259-F269 HydrophobicContact CB-CD2 3.84Å; A259-F269 HydrophobicContact CB-CE1 4.07Å; A259-F269 HydrophobicContact CB-CE2 3.7Å; A259-F269 HydrophobicContact CB-CG 4.08Å; A259-F269 HydrophobicContact CB-CZ 3.82Å; A262-F269 HydrophobicContact CB-CB 4.28Å; A262-F269 HydrophobicContact CB-CD2 4.04Å; I267-F269 PolarHBondContact O-N 2.96Å; F269-V271 HydrophobicContact CE1-CG2 4.01Å; F269-T321 HydrophobicContact CE1-CG2 4.28Å; F269-L325 WeakPolarHBondContact CB-O 3.29Å; F269-I326 HydrophobicContact CD1-CG1 4.48Å; F269-I326 CarbonylContact O-C 3.47Å; F269-T327 PolarHBondContact N-OG1 3.37Å; F269-T327 PolarHBondContact O-N 3.34Å; F269-G328 WeakPolarHBondContact O-CA 3.28Å; F269-G328 PolarHBondContact O-N 2.98Å
270Y98.9Very high96.8Very high10 Ų1035 Ų354%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-110.7139.7-177.9-67.6-90.6000111.6H145 I146 A235 V236 V237 V238 P268 G328 G329 I331 V336H145-Y270 AromaticContact CE1-CE1 3.99Å; H145-Y270 AromaticContact ND1-CE1 3.51Å; H145-Y270 AromaticContact ND1-CZ 3.73Å; H145-Y270 PolarHBondContact ND1-OH 2.61Å; H145-Y270 VanDerWaalsContact ND1-OH 3.13Å; I146-Y270 HydrophobicContact CD1-CD2 4.27Å; I146-Y270 HydrophobicContact CD1-CE2 4.33Å; I146-Y270 HydrophobicContact CG1-CD2 4.06Å; I146-Y270 HydrophobicContact CG1-CE1 4.34Å; I146-Y270 HydrophobicContact CG1-CE2 3.64Å; A235-Y270 HydrophobicContact CB-CD2 4.26Å; A235-Y270 HydrophobicContact CB-CE2 4.19Å; V236-Y270 PolarHBondContact O-N 3.24Å; V237-Y270 WeakPolarHBondContact CA-O 3.47Å; V237-Y270 HydrophobicContact CG2-CD2 4.4Å; V238-Y270 WeakPolarHBondContact CG2-O 3.08Å; V238-Y270 PolarHBondContact N-O 2.96Å; P268-Y270 HydrophobicContact CB-CD2 4.45Å; P268-Y270 HydrophobicContact CB-CE2 3.71Å; P268-Y270 HydrophobicContact CG-CE2 4.01Å; Y270-G328 VanDerWaalsContact CD1-C 3.44Å; Y270-G328 VanDerWaalsContact CE1-CA 3.47Å; Y270-G328 WeakPolarHBondContact CE1-O 3.35Å; Y270-G328 VanDerWaalsContact CZ-CA 3.46Å; Y270-G329 WeakPolarHBondContact CA-O 3.26Å; Y270-I331 HydrophobicContact CD1-CD1 3.78Å; Y270-I331 HydrophobicContact CD1-CG1 3.98Å; Y270-I331 HydrophobicContact CG-CD1 4.07Å; Y270-V336 HydrophobicContact CE1-CG1 4.35Å
271V98.9Very high96.4Very high0 Ų035.8 Ų35.80%021%0.211CC..EExtended strand (participates in β ladder)trans-106.6127.9166.2173.70000108V238 A240 V243 T249 F269 A273 I326 G329 I330 I331V238-V271 HydrophobicContact CG2-CG2 3.99Å; V238-V271 CarbonylContact O-C 3.28Å; A240-V271 HydrophobicContact CB-CG1 3.85Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; T249-V271 HydrophobicContact CG2-CG1 3.83Å; T249-V271 HydrophobicContact CG2-CG2 4.05Å; F269-V271 HydrophobicContact CE1-CG2 4.01Å; V271-A273 HydrophobicContact CG1-CB 4.45Å; V271-I326 HydrophobicContact CG2-CD1 3.86Å; V271-I326 HydrophobicContact CG2-CG1 4.13Å; V271-I326 HydrophobicContact CG2-CG2 4.09Å; V271-G329 PolarHBondContact N-O 2.89Å; V271-G329 VanDerWaalsContact N-O 3.1Å; V271-I330 HydrophobicContact CB-CG1 4.46Å; V271-I330 CarbonylContact O-C 3.53Å; V271-I330 WeakPolarHBondContact O-CA 3.47Å; V271-I331 PolarHBondContact O-N 3.38Å
272A98.8Very high96.1Very high0 Ų036.7 Ų36.70%021%0.213CC..EExtended strand (participates in β ladder)trans-113.6111.217700000110.2I138 T173 A174 V177 V237 V238 G239 I331I138-A272 HydrophobicContact CG2-CB 3.92Å; T173-A272 VanDerWaalsContact CB-O 3.32Å; T173-A272 WeakPolarHBondContact CB-O 3.43Å; T173-A272 PolarHBondContact OG1-O 2.57Å; A174-A272 HydrophobicContact CB-CB 4.08Å; V177-A272 HydrophobicContact CG2-CB 4.48Å; V237-A272 HydrophobicContact CG1-CB 4.18Å; V238-A272 PolarHBondContact O-N 2.82Å; G239-A272 WeakPolarHBondContact CA-O 3.32Å; A272-I331 WeakPolarHBondContact CA-O 3.45Å; A272-I331 HydrophobicContact CB-CB 4.21Å; A272-I331 HydrophobicContact CB-CD1 4.25Å
273A96.6Very high96Very high1 Ų144.3 Ų44.31%0.00825%0.249CC..  trans-150.9137.6-174.300000110.6A240 V243 V271 I331 T332A240-A273 HydrophobicContact CB-CB 3.76Å; V243-A273 HydrophobicContact CG2-CB 4.17Å; V271-A273 HydrophobicContact CG1-CB 4.45Å; A273-I331 PolarHBondContact N-O 3.35Å; A273-I331 VanDerWaalsContact O-O 3.06Å; A273-T332 WeakPolarHBondContact O-CA 3.47Å; A273-T332 WeakPolarHBondContact O-CG2 3.5Å
274P95.6Very high95.9Very high5 Ų540.1 Ų40.13%0.03223%0.234CC..  trans-66.8154.8171.530.2-35000110.1I138 T276 S277 E333I138-P274 HydrophobicContact CD1-CB 3.96Å; P274-T276 WeakPolarHBondContact CG-OG1 3.35Å; P274-T276 PolarHBondContact O-N 3.22Å; P274-S277 WeakPolarHBondContact CG-OG 3.49Å; P274-S277 WeakPolarHBondContact O-CB 3.43Å; P274-S277 PolarHBondContact O-N 3.3Å; P274-E333 WeakPolarHBondContact CA-OE2 3.36Å
275S94.4Very high95.7Very high26 Ų2633.2 Ų33.218%0.18220%0.204CC..G310 helixtrans-55.9-23.4174.3670000113R95 S277 C278 E333R95-S275 PolarHBondContact NH1-O 3.03Å; S275-S277 PolarHBondContact O-N 3.22Å; S275-C278 WeakPolarHBondContact O-CB 3.22Å; S275-C278 PolarHBondContact O-N 3.4Å; S275-E333 WeakPolarHBondContact CB-OE1 3.47Å; S275-E333 PolarHBondContact N-OE2 3Å; S275-E333 PolarHBondContact OG-OE1 2.92Å
276T91.2Very high95.5Very high48 Ų4841.3 Ų41.329%0.29423%0.232SC..G310 helixtrans-63.9-23.3174.158.10000113.7R95 P274R95-T276 PolarHBondContact NH1-O 3.24Å; P274-T276 WeakPolarHBondContact CG-OG1 3.35Å; P274-T276 PolarHBondContact O-N 3.22Å
277S91.9Very high95.2Very high8 Ų842.4 Ų42.46%0.05622%0.222CC..G310 helixtrans-930175-520000112.9N92 R242 V243 P274 S275N92-S277 PolarHBondContact ND2-OG 3.14Å; R242-S277 WeakPolarHBondContact CA-O 3.47Å; V243-S277 PolarHBondContact N-O 2.85Å; P274-S277 WeakPolarHBondContact CG-OG 3.49Å; P274-S277 WeakPolarHBondContact O-CB 3.43Å; P274-S277 PolarHBondContact O-N 3.3Å; S275-S277 PolarHBondContact O-N 3.22Å
278C93.3Very high94.8Very high10 Ų1042.6 Ų42.67%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-91120.2174.4-59.80000110.4V243 S275 L346V243-C278 CarbonylContact O-C 3.6Å; V243-C278 VanDerWaalsContact O-CA 3.23Å; V243-C278 WeakPolarHBondContact O-CA 3.5Å; S275-C278 WeakPolarHBondContact O-CB 3.22Å; S275-C278 PolarHBondContact O-N 3.4Å; C278-L346 HydrophobicContact CB-CD1 3.39Å
279D92.3Very high94.5Very high28 Ų2848.5 Ų48.515%0.1525%0.25CS..EExtended strand (participates in β ladder)trans-105.988179.1-176.92.3000109.6R242 V243 V244 S281 L282R242-D279 HydrophobicContact CG-CB 3.76Å; R242-D279 IonicContact CZ-OD2 2.79Å; R242-D279 IonicContact NE-OD2 3.12Å; R242-D279 IonicContact NH1-OD2 3.71Å; R242-D279 PolarHBondContact NH1-OD2 3.37Å; V243-D279 PolarHBondContact O-N 2.82Å; V244-D279 WeakPolarHBondContact CA-O 3.41Å; D279-S281 PolarHBondContact O-N 3.16Å; D279-S281 WeakPolarHBondContact OD1-CB 3.48Å; D279-S281 PolarHBondContact OD1-N 3.34Å; D279-S281 PolarHBondContact OD1-OG 2.89Å; D279-L282 PolarHBondContact O-N 3.49Å
280L93.4Very high94.2Very high56 Ų5651.1 Ų51.129%0.29326%0.264SS..THydrogen-bonded Turntrans-73.4-1.1179.9-58.8-176.1000113.5A245 L282 Q343 L346 T347A245-L280 HydrophobicContact CB-CD2 4.31Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L280-Q343 HydrophobicContact CD1-CG 4.41Å; L280-Q343 HydrophobicContact CD2-CB 4.44Å; L280-Q343 HydrophobicContact CD2-CG 4.29Å; L280-L346 HydrophobicContact CD1-CB 4.11Å; L280-L346 HydrophobicContact CD2-CD1 4.29Å; L280-T347 HydrophobicContact CD1-CG2 3.93Å
281S91.9Very high93.7Very high96 Ų9652.9 Ų52.967%0.67127%0.272SS*.THydrogen-bonded Turntrans-79.4-19.8176.176.90000113D279D279-S281 PolarHBondContact O-N 3.16Å; D279-S281 WeakPolarHBondContact OD1-CB 3.48Å; D279-S281 PolarHBondContact OD1-N 3.34Å; D279-S281 PolarHBondContact OD1-OG 2.89Å
282L92.8Very high93.5Very high35 Ų3557.2 Ų57.218%0.18330%0.298CS..  trans-100131.8174.9-60.1-176.1000110V244 A245 D279 L280 D287 I288V244-L282 HydrophobicContact CB-CB 4.01Å; V244-L282 HydrophobicContact CG1-CB 3.64Å; V244-L282 HydrophobicContact CG1-CD1 3.97Å; V244-L282 HydrophobicContact CG1-CG 4.38Å; A245-L282 VanDerWaalsContact CB-O 3.23Å; A245-L282 WeakPolarHBondContact CB-O 3.24Å; A245-L282 PolarHBondContact N-O 3.46Å; D279-L282 PolarHBondContact O-N 3.49Å; L280-L282 VanDerWaalsContact C-N 3.34Å; L282-D287 HydrophobicContact CD1-CB 4.44Å; L282-D287 HydrophobicContact CD2-CB 3.99Å; L282-I288 HydrophobicContact CD1-CG1 4.14Å
283E95.5Very high93.1Very high161 Ų16158.1 Ų58.175%0.75230%0.302SS*.SBendtrans-79.1-33.8-179.9-66-16117300112.6N246N246-E283 WeakPolarHBondContact CB-O 3.16Å; N246-E283 PolarHBondContact OD1-O 3.38Å
284S96.6Very high93.1Very high26 Ų2661.4 Ų61.418%0.18232%0.323CS..SBendtrans-143.4160.2-173.681.50000113.1R286 D287S284-R286 PolarHBondContact O-N 3.49Å; S284-R286 VanDerWaalsContact O-N 3.13Å; S284-R286 WeakPolarHBondContact OG-CB 3.41Å; S284-R286 PolarHBondContact OG-N 3.29Å; S284-D287 PolarHBondContact O-N 3.34Å; S284-D287 PolarHBondContact OG-OD2 3.1Å
285G95.1Very high93.1Very high6 Ų663.7 Ų63.76%0.06234%0.338CS..G310 helixtrans-67.1-10.3177.500000114.3D248 D287 I288D248-G285 PolarHBondContact OD2-N 3.41Å; G285-D287 PolarHBondContact O-N 3.48Å; G285-I288 PolarHBondContact O-N 3.34Å
286R94.8Very high93.2Very high231 Ų23168 Ų6887%0.87236%0.355SS*.G310 helixtrans-67.8-25.5177.1-59.9177.8-179.9173.21.3112.6S284 I288S284-R286 PolarHBondContact O-N 3.49Å; S284-R286 VanDerWaalsContact O-N 3.13Å; S284-R286 WeakPolarHBondContact OG-CB 3.41Å; S284-R286 PolarHBondContact OG-N 3.29Å; R286-I288 VanDerWaalsContact C-N 3.26Å
287D91.2Very high93.4Very high90 Ų9068.5 Ų68.548%0.48135%0.354SS..G310 helixtrans-85.9-2.9-177.4-52.4-55.9000111.9L282 S284 G285 I289L282-D287 HydrophobicContact CD1-CB 4.44Å; L282-D287 HydrophobicContact CD2-CB 3.99Å; S284-D287 PolarHBondContact O-N 3.34Å; S284-D287 PolarHBondContact OG-OD2 3.1Å; G285-D287 PolarHBondContact O-N 3.48Å; D287-I289 PolarHBondContact O-N 3.03Å
288I90.7Very high93.6Very high18 Ų1871 Ų719%0.09237%0.366CS..  trans-83115.6178.2-54176.6000109.4V244 A250 L282 G285 R286 I290 V320V244-I288 HydrophobicContact CG1-CD1 3.77Å; V244-I288 HydrophobicContact CG1-CG1 4.06Å; A250-I288 HydrophobicContact CB-CD1 3.67Å; A250-I288 HydrophobicContact CB-CG2 3.96Å; L282-I288 HydrophobicContact CD1-CG1 4.14Å; G285-I288 PolarHBondContact O-N 3.34Å; R286-I288 VanDerWaalsContact C-N 3.26Å; I288-I290 HydrophobicContact CG2-CD1 4.2Å; I288-I290 PolarHBondContact O-N 3.43Å; I288-V320 HydrophobicContact CD1-CG2 4.36Å
289I91.6Very high93.9Very high164 Ų16471.6 Ų71.684%0.84137%0.37SS*.PPolyproline II helixtrans-73118.3171.4-57.6174000108.8D287D287-I289 PolarHBondContact O-N 3.03Å
290I91.9Very high94.1Very high54 Ų5471.7 Ų71.728%0.27737%0.373SS..PPolyproline II helixtrans-82.2120.5177.8-58-57.4000110.1I288 V292 P316 F318 V320I288-I290 HydrophobicContact CG2-CD1 4.2Å; I288-I290 PolarHBondContact O-N 3.43Å; I290-V292 PolarHBondContact O-N 2.87Å; I290-P316 HydrophobicContact CG2-CB 3.84Å; I290-F318 HydrophobicContact CD1-CB 4.26Å; I290-F318 HydrophobicContact CG2-CB 4.47Å; I290-F318 WeakPolarHBondContact CG2-O 3.29Å; I290-V320 HydrophobicContact CD1-CG2 3.99Å
291E90.1Very high94.1Very high48 Ų4872 Ų7222%0.22437%0.374CS..PPolyproline II helixtrans-61.8118.8171.7-176.2-173.2-178.100109.8T89 R293 A317 F318T89-E291 HydrophobicContact CG2-CB 4.4Å; T89-E291 HydrophobicContact CG2-CG 4.4Å; E291-R293 VanDerWaalsContact CD-NH2 3.32Å; E291-R293 HydrophobicContact CG-CG 4.02Å; E291-R293 IonicContact OE1-CZ 3.71Å; E291-R293 IonicContact OE1-NE 3.35Å; E291-R293 PolarHBondContact OE1-NE 3.31Å; E291-R293 IonicContact OE1-NH2 2.78Å; E291-R293 PolarHBondContact OE1-NH2 3.35Å; E291-R293 VanDerWaalsContact OE1-NH2 3.12Å; E291-R293 IonicContact OE2-CZ 3.95Å; E291-R293 IonicContact OE2-NE 3.52Å; E291-R293 PolarHBondContact OE2-NE 2.61Å; E291-R293 IonicContact OE2-NH2 3.79Å; E291-R293 PolarHBondContact OE2-NH2 3.16Å; E291-A317 HydrophobicContact CB-CB 4.23Å; E291-A317 HydrophobicContact CG-CB 4.4Å; E291-A317 WeakPolarHBondContact O-CB 3.41Å; E291-A317 PolarHBondContact O-N 2.88Å; E291-F318 HydrophobicContact CB-CD2 4.14Å; E291-F318 HydrophobicContact CB-CE2 4.17Å; E291-F318 WeakPolarHBondContact OE2-CE2 3.39Å
292V93.3Very high93.9Very high90 Ų9075 Ų7555%0.54538%0.383SS..BIsolated β-bridgetrans-103.7129.1169.6-178.60000108I290I290-V292 PolarHBondContact O-N 2.87Å
293R91.4Very high93.8Very high19 Ų1976.8 Ų76.87%0.07241%0.41CS..  trans-108.1164.5-172.2-69.7-163.8177.3158.87.1113Y198 E291 E297 N315 A317Y198-R293 WeakPolarHBondContact OH-CD 3.18Å; Y198-R293 PolarHBondContact OH-NE 3.03Å; Y198-R293 PolarHBondContact OH-NH1 2.91Å; E291-R293 VanDerWaalsContact CD-NH2 3.32Å; E291-R293 HydrophobicContact CG-CG 4.02Å; E291-R293 IonicContact OE1-CZ 3.71Å; E291-R293 IonicContact OE1-NE 3.35Å; E291-R293 PolarHBondContact OE1-NE 3.31Å; E291-R293 IonicContact OE1-NH2 2.78Å; E291-R293 PolarHBondContact OE1-NH2 3.35Å; E291-R293 VanDerWaalsContact OE1-NH2 3.12Å; E291-R293 IonicContact OE2-CZ 3.95Å; E291-R293 IonicContact OE2-NE 3.52Å; E291-R293 PolarHBondContact OE2-NE 2.61Å; E291-R293 IonicContact OE2-NH2 3.79Å; E291-R293 PolarHBondContact OE2-NH2 3.16Å; R293-E297 WeakPolarHBondContact CB-OE2 3.41Å; R293-E297 WeakPolarHBondContact CD-OE2 3.16Å; R293-N315 PolarHBondContact N-O 3.37Å; R293-A317 HydrophobicContact CG-CB 4.18Å
294P95.3Very high93.9Very high70 Ų7073.3 Ų73.346%0.45540%0.4SS..  trans-54.2140.8-178.1-26.635.6000112.7E296 E297 N315P294-E296 WeakPolarHBondContact CB-OE2 3.43Å; P294-E296 PolarHBondContact O-N 3.46Å; P294-E297 PolarHBondContact O-N 3.24Å; P294-N315 PolarHBondContact O-ND2 3.24Å
295P96.9Very high93.9Very high53 Ų5376.5 Ų76.534%0.34442%0.419SS..THydrogen-bonded Turntrans-52.8-34.7177.9-32.739.7000114.7E297 L298 T299 V313P295-E297 PolarHBondContact O-N 3.43Å; P295-L298 WeakPolarHBondContact O-CA 3.2Å; P295-L298 PolarHBondContact O-N 3.45Å; P295-T299 PolarHBondContact O-N 3.09Å; P295-T299 PolarHBondContact O-OG1 3Å; P295-V313 HydrophobicContact CB-CB 3.74Å; P295-V313 HydrophobicContact CB-CG1 4.07Å; P295-V313 HydrophobicContact CB-CG2 3.96Å; P295-V313 HydrophobicContact CG-CB 4.16Å
296E95.9Very high94Very high116 Ų11682 Ų8254%0.54245%0.446SS..Hα-helixtrans-61.2-30.5-171.8-62.475.1-165.100112.4P294 L298 T299 S300P294-E296 WeakPolarHBondContact CB-OE2 3.43Å; P294-E296 PolarHBondContact O-N 3.46Å; E296-L298 PolarHBondContact O-N 2.89Å; E296-T299 WeakPolarHBondContact CA-OG1 3.3Å; E296-S300 WeakPolarHBondContact O-CB 3.33Å; E296-S300 PolarHBondContact O-N 3.29Å
297E94.5Very high94.2Very high60 Ų6072.7 Ų72.728%0.2842%0.419SS..Hα-helixtrans-68.5-25.5177.4-59.1-176.8141.200112.5P197 Y198 R293 P294 P295P197-E297 WeakPolarHBondContact CB-O 3.46Å; Y198-E297 PolarHBondContact OH-OE1 3.01Å; Y198-E297 PolarHBondContact OH-OE2 2.91Å; R293-E297 WeakPolarHBondContact CB-OE2 3.41Å; R293-E297 WeakPolarHBondContact CD-OE2 3.16Å; P294-E297 PolarHBondContact O-N 3.24Å; P295-E297 PolarHBondContact O-N 3.43Å
298L97.9Very high94.5Very high59 Ų5971.9 Ų71.931%0.30942%0.424SS..Hα-helixtrans-90.2-45.4172.9-174.2151.9000110.8R196 P197 P295 E296 S300 V313 N315R196-L298 PolarHBondContact NH2-O 3.44Å; P197-L298 HydrophobicContact CB-CB 4.24Å; P197-L298 HydrophobicContact CB-CG 4.49Å; P295-L298 WeakPolarHBondContact O-CA 3.2Å; P295-L298 PolarHBondContact O-N 3.45Å; E296-L298 PolarHBondContact O-N 2.89Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.41Å; L298-V313 HydrophobicContact CB-CG1 4.13Å; L298-V313 HydrophobicContact CD1-CG1 4.13Å; L298-V313 HydrophobicContact CD2-CG1 4.15Å; L298-V313 HydrophobicContact CG-CG1 4.36Å; L298-N315 HydrophobicContact CB-CB 4.49Å; L298-N315 HydrophobicContact CD1-CB 4.4Å
299T98.1Very high94.8Very high24 Ų2477.3 Ų77.315%0.14746%0.461CS..Hα-helixtrans-74.4-21.5-173610000113.6P295 E296 I306 A307 V313P295-T299 PolarHBondContact O-N 3.09Å; P295-T299 PolarHBondContact O-OG1 3Å; E296-T299 WeakPolarHBondContact CA-OG1 3.3Å; T299-I306 PolarHBondContact O-N 3.2Å; T299-A307 HydrophobicContact CG2-CB 3.8Å; T299-A307 PolarHBondContact O-N 3.05Å; T299-A307 VanDerWaalsContact O-N 3.13Å; T299-V313 HydrophobicContact CG2-CG2 3.58Å
300S97Very high95Very high30 Ų3073.6 Ų73.621%0.2146%0.463CS..EExtended strand (participates in β ladder)trans-129.4146.7-173.6-55.40000111.9E296 L298 V304E296-S300 WeakPolarHBondContact O-CB 3.33Å; E296-S300 PolarHBondContact O-N 3.29Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.41Å; S300-V304 CarbonylContact C-O 3.58Å; S300-V304 VanDerWaalsContact CA-O 3.25Å; S300-V304 WeakPolarHBondContact CA-O 3.42Å
301I93.6Very high95.3Very high62 Ų6276.3 Ų76.332%0.31848%0.477SS..EExtended strand (participates in β ladder)trans-128.7128.4172.9-61.3177.8000107.6G303 V304 I306I301-G303 PolarHBondContact O-N 3.41Å; I301-V304 PolarHBondContact N-O 2.96Å; I301-V304 PolarHBondContact O-N 3.05Å; I301-I306 HydrophobicContact CG1-CG1 4.37Å
302N87.7Confident95.7Very high158 Ų15882.9 Ų82.985%0.84551%0.508SS*.THydrogen-bonded Turntrans51.940.2-177.9-62.9-20.9000113.7V304N302-V304 PolarHBondContact O-N 3.1Å
303G90.5Very high96Very high73 Ų7380.6 Ų80.675%0.75349%0.494SS*.THydrogen-bonded Turntrans75.71.4-179.400000114.9I301I301-G303 PolarHBondContact O-N 3.41Å
304V96.7Very high96.3Very high89 Ų8989.3 Ų89.354%0.53953%0.527SS..EExtended strand (participates in β ladder)trans-102.1119.6178.3-176.50000109.6S300 I301 N302S300-V304 CarbonylContact C-O 3.58Å; S300-V304 VanDerWaalsContact CA-O 3.25Å; S300-V304 WeakPolarHBondContact CA-O 3.42Å; I301-V304 PolarHBondContact N-O 2.96Å; I301-V304 PolarHBondContact O-N 3.05Å; N302-V304 PolarHBondContact O-N 3.1Å
305P96.8Very high96.4Very high92 Ų9286.2 Ų86.260%0.59751%0.506SS*.EExtended strand (participates in β ladder)trans-64134.2173.4-20.833000111.8
306I98.1Very high96.5Very high121 Ų12184.4 Ų84.462%0.62150%0.495SS*.  trans-110.5-40.9175.9-52.8-59.2000110.4T299 I301T299-I306 PolarHBondContact O-N 3.2Å; I301-I306 HydrophobicContact CG1-CG1 4.37Å
307A98.1Very high96.4Very high37 Ų3779 Ų7931%0.30647%0.469SS..SBendtrans-76.1155.2178.900000112T299 I311T299-A307 HydrophobicContact CG2-CB 3.8Å; T299-A307 PolarHBondContact O-N 3.05Å; T299-A307 VanDerWaalsContact O-N 3.13Å; A307-I311 HydrophobicContact CB-CG2 4.26Å
308A98.3Very high96.4Very high72 Ų7277.1 Ų77.160%0.59546%0.46SS*.PPolyproline II helixtrans-64.6139.5177.300000111.6I311A308-I311 VanDerWaalsContact O-CG2 3.28Å; A308-I311 WeakPolarHBondContact O-CG2 3.44Å
309P97.4Very high96.5Very high133 Ų13375.5 Ų75.586%0.86445%0.452SS*.THydrogen-bonded Turntrans-58.9138.2177-24.333.9000112.8
310G96.4Very high96.5Very high85 Ų8576 Ų7688%0.87646%0.455SS*.THydrogen-bonded Turntrans85.60.9174.900000115.9
311I98.3Very high96.6Very high111 Ų11174.6 Ų74.657%0.56945%0.445SS*.  trans-72.7137.7174.7-166.158.7000111.4A307 A308 V313A307-I311 HydrophobicContact CB-CG2 4.26Å; A308-I311 VanDerWaalsContact O-CG2 3.28Å; A308-I311 WeakPolarHBondContact O-CG2 3.44Å; I311-V313 HydrophobicContact CG2-CG2 4.35Å
312E98.3Very high96.8Very high187 Ų18773.1 Ų73.187%0.87444%0.44SS*.  trans-73.6145170.7-65.8-173.5150.100110.9
313V98.5Very high97.3Very high41 Ų4169.1 Ų69.125%0.24842%0.416CS..  trans-129.3130.8-173178.20000110.6P295 L298 T299 I311 N315P295-V313 HydrophobicContact CB-CB 3.74Å; P295-V313 HydrophobicContact CB-CG1 4.07Å; P295-V313 HydrophobicContact CB-CG2 3.96Å; P295-V313 HydrophobicContact CG-CB 4.16Å; L298-V313 HydrophobicContact CB-CG1 4.13Å; L298-V313 HydrophobicContact CD1-CG1 4.13Å; L298-V313 HydrophobicContact CD2-CG1 4.15Å; L298-V313 HydrophobicContact CG-CG1 4.36Å; T299-V313 HydrophobicContact CG2-CG2 3.58Å; I311-V313 HydrophobicContact CG2-CG2 4.35Å; V313-N315 HydrophobicContact CG1-CB 4.05Å
314W98.4Very high97.7Very high203 Ų20372 Ų7277%0.76941%0.41SS*.  trans-108.2113.6165.3-178.544.8000108.9P316W314-P316 VanDerWaalsContact C-CD 3.44Å; W314-P316 HydrophobicContact CD2-CG 4.19Å; W314-P316 HydrophobicContact CH2-CG 4.45Å; W314-P316 HydrophobicContact CZ2-CB 4.48Å; W314-P316 HydrophobicContact CZ2-CG 3.94Å; W314-P316 WeakPolarHBondContact O-CD 3.32Å
315N97.9Very high97.8Very high4 Ų468.5 Ų68.52%0.02139%0.388CS..  trans-125.667.2-174.1-175.422.4000111.6P197 R293 P294 L298 V313P197-N315 WeakPolarHBondContact CG-OD1 3.42Å; R293-N315 PolarHBondContact N-O 3.37Å; P294-N315 PolarHBondContact O-ND2 3.24Å; L298-N315 HydrophobicContact CB-CB 4.49Å; L298-N315 HydrophobicContact CD1-CB 4.4Å; V313-N315 HydrophobicContact CG1-CB 4.05Å
316P97.2Very high97.9Very high16 Ų1664.3 Ų64.310%0.10436%0.36CS..BIsolated β-bridgetrans-69130.3172.830.4-33.4000109.9V253 I290 W314 F318V253-P316 WeakPolarHBondContact CG1-O 3.15Å; V253-P316 HydrophobicContact CG2-CG 4.34Å; I290-P316 HydrophobicContact CG2-CB 3.84Å; W314-P316 VanDerWaalsContact C-CD 3.44Å; W314-P316 HydrophobicContact CD2-CG 4.19Å; W314-P316 HydrophobicContact CH2-CG 4.45Å; W314-P316 HydrophobicContact CZ2-CB 4.48Å; W314-P316 HydrophobicContact CZ2-CG 3.94Å; W314-P316 WeakPolarHBondContact O-CD 3.32Å; P316-F318 VanDerWaalsContact C-N 3.29Å; P316-F318 PolarHBondContact O-N 3.13Å
317A93.8Very high97.9Very high1 Ų161.9 Ų61.91%0.00835%0.351CS..SBendtrans-74.7-21.8178.400000112.6K252 V253 E291 R293K252-A317 VanDerWaalsContact CD-O 3.32Å; K252-A317 WeakPolarHBondContact CD-O 3.42Å; K252-A317 WeakPolarHBondContact CE-O 3.26Å; K252-A317 PolarHBondContact NZ-O 3.22Å; V253-A317 PolarHBondContact N-O 3.11Å; E291-A317 HydrophobicContact CB-CB 4.23Å; E291-A317 HydrophobicContact CG-CB 4.4Å; E291-A317 WeakPolarHBondContact O-CB 3.41Å; E291-A317 PolarHBondContact O-N 2.88Å; R293-A317 HydrophobicContact CG-CB 4.18Å
318F96.1Very high97.9Very high21 Ų2160.4 Ų60.49%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-138.9158.2-174.1-55.2-72.4000110.7D241 N251 I290 E291 P316D241-F318 HydrophobicContact CB-CD1 4.43Å; D241-F318 HydrophobicContact CB-CE1 4.11Å; D241-F318 WeakPolarHBondContact OD1-CE1 3.15Å; D241-F318 VanDerWaalsContact OD1-CZ 3.26Å; D241-F318 WeakPolarHBondContact OD1-CZ 3.37Å; D241-F318 VanDerWaalsContact OD2-CE1 3.23Å; D241-F318 WeakPolarHBondContact OD2-CE1 3.37Å; N251-F318 CarbonylContact O-C 3.54Å; N251-F318 WeakPolarHBondContact O-CA 3.22Å; N251-F318 WeakPolarHBondContact O-CB 3.28Å; I290-F318 HydrophobicContact CD1-CB 4.26Å; I290-F318 HydrophobicContact CG2-CB 4.47Å; I290-F318 WeakPolarHBondContact CG2-O 3.29Å; E291-F318 HydrophobicContact CB-CD2 4.14Å; E291-F318 HydrophobicContact CB-CE2 4.17Å; E291-F318 WeakPolarHBondContact OE2-CE2 3.39Å; P316-F318 VanDerWaalsContact C-N 3.29Å; P316-F318 PolarHBondContact O-N 3.13Å
319D98.4Very high97.9Very high25 Ų2557 Ų5713%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-128.7169.3163.26139.7000109.8A250 N251 V253 G254 T255 Y256A250-D319 WeakPolarHBondContact CA-O 3.47Å; N251-D319 PolarHBondContact N-O 3.45Å; N251-D319 VanDerWaalsContact N-O 3.11Å; N251-D319 PolarHBondContact O-N 2.83Å; V253-D319 WeakPolarHBondContact CA-OD2 3.46Å; G254-D319 PolarHBondContact N-OD2 3.48Å; T255-D319 WeakPolarHBondContact CB-OD1 3.47Å; T255-D319 PolarHBondContact N-OD2 3.16Å; Y256-D319 VanDerWaalsContact CB-CG 3.45Å; Y256-D319 WeakPolarHBondContact CB-OD1 3.45Å; Y256-D319 PolarHBondContact N-OD1 3.4Å; Y256-D319 PolarHBondContact N-OD2 3.04Å
320V98.6Very high97.9Very high35 Ų3550.7 Ų50.721%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-109.6120.9177.5-179.80000108.7D248 T249 A250 I288 I290 P322D248-V320 HydrophobicContact CB-CG1 4.1Å; T249-V320 CarbonylContact O-C 3.48Å; T249-V320 WeakPolarHBondContact O-CA 3.3Å; A250-V320 HydrophobicContact CB-CG2 4.4Å; I288-V320 HydrophobicContact CD1-CG2 4.36Å; I290-V320 HydrophobicContact CD1-CG2 3.99Å; V320-P322 WeakPolarHBondContact O-CD 3.35Å
321T98.9Very high98.1Very high0 Ų046.6 Ų46.60%023%0.229CC..EExtended strand (participates in β ladder)trans-85116168.1-59.40000109.3T249 T255 Y256 A259 F269 L325 I326T249-T321 PolarHBondContact N-O 3.22Å; T249-T321 PolarHBondContact O-N 3.49Å; T255-T321 WeakPolarHBondContact CG2-OG1 3.09Å; Y256-T321 WeakPolarHBondContact CA-OG1 3.08Å; Y256-T321 PolarHBondContact N-OG1 2.8Å; A259-T321 HydrophobicContact CB-CG2 3.55Å; F269-T321 HydrophobicContact CE1-CG2 4.28Å; T321-L325 HydrophobicContact CG2-CB 4.08Å; T321-I326 HydrophobicContact CG2-CG1 4.09Å
322P98.8Very high98.1Very high32 Ų3241.3 Ų41.321%0.20820%0.201CC..  trans-62.8138.3174.3-22.634.8000110.9D248 Y256 V320 Q324 L325D248-P322 VanDerWaalsContact OD1-CA 3.25Å; D248-P322 WeakPolarHBondContact OD1-CA 3.43Å; Y256-P322 HydrophobicContact CE2-CG 4.14Å; V320-P322 WeakPolarHBondContact O-CD 3.35Å; P322-Q324 HydrophobicContact CB-CG 3.84Å; P322-Q324 PolarHBondContact O-N 3.26Å; P322-L325 PolarHBondContact O-N 3.47Å
323H98.6Very high98Very high73 Ų7333.2 Ų33.234%0.33816%0.163SC..G310 helixtrans-55.7-29.6-17468.384.4000114N246 D248 L325 I326 P339N246-H323 PolarHBondContact ND2-CD2 3.36Å; N246-H323 VanDerWaalsContact O-CB 3.26Å; N246-H323 WeakPolarHBondContact O-CB 3.44Å; N246-H323 VanDerWaalsContact O-CG 3.3Å; D248-H323 IonicContact OD1-CD2 3.59Å; D248-H323 PolarHBondContact OD1-CD2 2.66Å; D248-H323 VanDerWaalsContact OD1-CD2 3.23Å; D248-H323 IonicContact OD1-CG 2.79Å; D248-H323 PolarHBondContact OD1-N 3.12Å; H323-L325 PolarHBondContact O-N 2.94Å; H323-L325 VanDerWaalsContact O-N 3.14Å; H323-I326 WeakPolarHBondContact O-CB 3.22Å; H323-I326 PolarHBondContact O-N 2.92Å; H323-P339 HydrophobicContact CB-CB 3.69Å; H323-P339 HydrophobicContact CB-CG 4.04Å
324Q98.5Very high98Very high134 Ų13435 Ų3563%0.62617%0.171SC*.G310 helixtrans-62.4-12.7173.952.1170-18.500115.1P322P322-Q324 HydrophobicContact CB-CG 3.84Å; P322-Q324 PolarHBondContact O-N 3.26Å
325L98.9Very high97.9Very high15 Ų1525.6 Ų25.68%0.07914%0.137CC..G310 helixtrans-98.3-8.7172.2-58.4-175.7000112.9Y256 A259 I260 K263 F269 T321 P322 H323 T327Y256-L325 HydrophobicContact CD2-CD1 3.92Å; Y256-L325 HydrophobicContact CE2-CD1 3.63Å; A259-L325 HydrophobicContact CB-CB 3.83Å; A259-L325 HydrophobicContact CB-CD1 4.05Å; I260-L325 HydrophobicContact CG1-CD1 3.92Å; K263-L325 HydrophobicContact CB-CD2 4.35Å; K263-L325 HydrophobicContact CD-CD2 3.33Å; K263-L325 HydrophobicContact CG-CD2 4.47Å; F269-L325 WeakPolarHBondContact CB-O 3.29Å; T321-L325 HydrophobicContact CG2-CB 4.08Å; P322-L325 PolarHBondContact O-N 3.47Å; H323-L325 PolarHBondContact O-N 2.94Å; H323-L325 VanDerWaalsContact O-N 3.14Å; L325-T327 PolarHBondContact O-N 3.43Å
326I98.8Very high98Very high4 Ų426.8 Ų26.82%0.02115%0.145CC..  trans-84.472.3176.2-51174.3000108.1G247 T249 F269 V271 T321 H323 G329 I330 P339G247-I326 WeakPolarHBondContact O-CD1 3.35Å; T249-I326 WeakPolarHBondContact OG1-CD1 3.46Å; F269-I326 HydrophobicContact CD1-CG1 4.48Å; F269-I326 CarbonylContact O-C 3.47Å; V271-I326 HydrophobicContact CG2-CD1 3.86Å; V271-I326 HydrophobicContact CG2-CG1 4.13Å; V271-I326 HydrophobicContact CG2-CG2 4.09Å; T321-I326 HydrophobicContact CG2-CG1 4.09Å; H323-I326 WeakPolarHBondContact O-CB 3.22Å; H323-I326 PolarHBondContact O-N 2.92Å; I326-G329 WeakPolarHBondContact CG2-O 3.3Å; I326-I330 HydrophobicContact CD1-CD1 4.44Å; I326-I330 HydrophobicContact CD1-CG1 4.47Å; I326-I330 HydrophobicContact CG2-CG1 4.04Å; I326-P339 HydrophobicContact CB-CG 4.18Å
327T98.6Very high98Very high71 Ų7126.5 Ų26.544%0.43614%0.142SC..  trans-78.1-19.8-171.752.20000114P268 F269 L325P268-T327 WeakPolarHBondContact CA-OG1 3.39Å; F269-T327 PolarHBondContact N-OG1 3.37Å; F269-T327 PolarHBondContact O-N 3.34Å; L325-T327 PolarHBondContact O-N 3.43Å
328G97.1Very high98.2Very high5 Ų530.5 Ų30.55%0.05216%0.162CC..SBendtrans-86.8-34.6177.100000113.2F269 Y270F269-G328 WeakPolarHBondContact O-CA 3.28Å; F269-G328 PolarHBondContact O-N 2.98Å; Y270-G328 VanDerWaalsContact CD1-C 3.44Å; Y270-G328 VanDerWaalsContact CE1-CA 3.47Å; Y270-G328 WeakPolarHBondContact CE1-O 3.35Å; Y270-G328 VanDerWaalsContact CZ-CA 3.46Å
329G98.3Very high98.2Very high1 Ų130 Ų301%0.0116%0.162CC..EExtended strand (participates in β ladder)trans120.8175.2-177.800000113.4Y270 V271 I326 F337Y270-G329 WeakPolarHBondContact CA-O 3.26Å; V271-G329 PolarHBondContact N-O 2.89Å; V271-G329 VanDerWaalsContact N-O 3.1Å; I326-G329 WeakPolarHBondContact CG2-O 3.3Å; G329-F337 CarbonylContact C-O 3.55Å; G329-F337 VanDerWaalsContact CA-O 3.3Å; G329-F337 WeakPolarHBondContact CA-O 3.4Å
330I98.8Very high98.1Very high0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-107.1113.9179.1-56.7172.4000107.5V243 V271 I326 T332 V336 F337 P339 L342V243-I330 HydrophobicContact CG1-CD1 4.01Å; V271-I330 HydrophobicContact CB-CG1 4.46Å; V271-I330 CarbonylContact O-C 3.53Å; V271-I330 WeakPolarHBondContact O-CA 3.47Å; I326-I330 HydrophobicContact CD1-CD1 4.44Å; I326-I330 HydrophobicContact CD1-CG1 4.47Å; I326-I330 HydrophobicContact CG2-CG1 4.04Å; I330-T332 HydrophobicContact CG2-CG2 4.24Å; I330-V336 WeakPolarHBondContact O-CA 3.46Å; I330-F337 PolarHBondContact N-O 3.42Å; I330-F337 PolarHBondContact O-N 2.91Å; I330-P339 HydrophobicContact CD1-CB 4.34Å; I330-P339 HydrophobicContact CD1-CG 4.29Å; I330-L342 HydrophobicContact CB-CD1 4.35Å; I330-L342 HydrophobicContact CD1-CD1 4.48Å; I330-L342 HydrophobicContact CD1-CD2 3.84Å; I330-L342 HydrophobicContact CG2-CD1 3.99Å
331I98.8Very high98Very high0 Ų035.7 Ų35.70%020%0.197CC..EExtended strand (participates in β ladder)trans-91.7118-176.7-52.1160.6000108.1I138 V177 V237 Y270 V271 A272 A273 V336I138-I331 HydrophobicContact CB-CG2 4.48Å; I138-I331 HydrophobicContact CG2-CG2 3.89Å; I138-I331 WeakPolarHBondContact O-CG2 3.44Å; V177-I331 HydrophobicContact CG2-CD1 4.14Å; V237-I331 HydrophobicContact CG1-CD1 4.25Å; Y270-I331 HydrophobicContact CD1-CD1 3.78Å; Y270-I331 HydrophobicContact CD1-CG1 3.98Å; Y270-I331 HydrophobicContact CG-CD1 4.07Å; V271-I331 PolarHBondContact O-N 3.38Å; A272-I331 WeakPolarHBondContact CA-O 3.45Å; A272-I331 HydrophobicContact CB-CB 4.21Å; A272-I331 HydrophobicContact CB-CD1 4.25Å; A273-I331 PolarHBondContact N-O 3.35Å; A273-I331 VanDerWaalsContact O-O 3.06Å; I331-V336 HydrophobicContact CB-CG2 4.39Å; I331-V336 HydrophobicContact CG1-CG1 4.07Å; I331-V336 HydrophobicContact CG1-CG2 3.99Å; I331-V336 HydrophobicContact CG2-CG2 4.16Å
332T98.5Very high97.8Very high0 Ų035.7 Ų35.70%020%0.197CC..EExtended strand (participates in β ladder)trans-122.8177.8174.980.60000110.4A273 I330 L334 G335 F337 L342A273-T332 WeakPolarHBondContact O-CA 3.47Å; A273-T332 WeakPolarHBondContact O-CG2 3.5Å; I330-T332 HydrophobicContact CG2-CG2 4.24Å; T332-L334 PolarHBondContact O-N 2.87Å; T332-L334 PolarHBondContact OG1-N 3.28Å; T332-G335 PolarHBondContact N-O 2.7Å; T332-G335 PolarHBondContact O-N 3.2Å; T332-F337 HydrophobicContact CG2-CD2 4.35Å; T332-F337 WeakPolarHBondContact OG1-CE2 3.34Å; T332-L342 HydrophobicContact CG2-CD1 4.3Å
333E97.8Very high97.5Very high16 Ų1638.9 Ų38.98%0.07521%0.209CC..THydrogen-bonded Turntrans-68.4-7.3172.976.8-75.2177.200113.6D134 K137 I138 Y141 P274 S275D134-E333 HydrophobicContact CB-CB 3.58Å; D134-E333 HydrophobicContact CB-CG 3.98Å; K137-E333 HydrophobicContact CB-CB 4.19Å; K137-E333 HydrophobicContact CD-CB 4.18Å; K137-E333 WeakPolarHBondContact CD-O 3.43Å; I138-E333 HydrophobicContact CG1-CB 4.29Å; Y141-E333 WeakPolarHBondContact CE2-O 3.23Å; P274-E333 WeakPolarHBondContact CA-OE2 3.36Å; S275-E333 WeakPolarHBondContact CB-OE1 3.47Å; S275-E333 PolarHBondContact N-OE2 3Å; S275-E333 PolarHBondContact OG-OE1 2.92Å
334L97Very high97.3Very high79 Ų7936.8 Ų36.841%0.41420%0.204SC..THydrogen-bonded Turntrans-101.9-9.8178.8-55.7177.5000112.8T332 F337 L346 A352T332-L334 PolarHBondContact O-N 2.87Å; T332-L334 PolarHBondContact OG1-N 3.28Å; L334-F337 HydrophobicContact CB-CE2 4.03Å; L334-F337 HydrophobicContact CB-CZ 4.06Å; L334-L346 HydrophobicContact CD1-CD2 3.9Å; L334-A352 WeakPolarHBondContact O-CB 3.48Å
335G97.6Very high96.9Very high5 Ų530.6 Ų30.65%0.05218%0.176CC..EExtended strand (participates in β ladder)trans141.4-163.6-17800000113.1T332T332-G335 PolarHBondContact N-O 2.7Å; T332-G335 PolarHBondContact O-N 3.2Å
336V98.4Very high96.5Very high30 Ų3031.7 Ų31.718%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-115.1124.9174.3-172.60000108.4H145 Y270 I330 I331H145-V336 HydrophobicContact CB-CB 4.26Å; H145-V336 HydrophobicContact CB-CG1 4.44Å; H145-V336 HydrophobicContact CB-CG2 3.7Å; Y270-V336 HydrophobicContact CE1-CG1 4.35Å; I330-V336 WeakPolarHBondContact O-CA 3.46Å; I331-V336 HydrophobicContact CB-CG2 4.39Å; I331-V336 HydrophobicContact CG1-CG1 4.07Å; I331-V336 HydrophobicContact CG1-CG2 3.99Å; I331-V336 HydrophobicContact CG2-CG2 4.16Å
337F98.1Very high96.1Very high10 Ų1034.8 Ų34.84%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-123144.4-173.1-56.2-73.4000111.4G329 I330 T332 L334 E341 A345 A352G329-F337 CarbonylContact C-O 3.55Å; G329-F337 VanDerWaalsContact CA-O 3.3Å; G329-F337 WeakPolarHBondContact CA-O 3.4Å; I330-F337 PolarHBondContact N-O 3.42Å; I330-F337 PolarHBondContact O-N 2.91Å; T332-F337 HydrophobicContact CG2-CD2 4.35Å; T332-F337 WeakPolarHBondContact OG1-CE2 3.34Å; L334-F337 HydrophobicContact CB-CE2 4.03Å; L334-F337 HydrophobicContact CB-CZ 4.06Å; F337-E341 HydrophobicContact CB-CB 4.32Å; F337-A345 HydrophobicContact CD1-CB 3.55Å; F337-A345 HydrophobicContact CD2-CB 4.21Å; F337-A345 HydrophobicContact CE1-CB 3.36Å; F337-A345 HydrophobicContact CE2-CB 4.04Å; F337-A345 HydrophobicContact CG-CB 3.97Å; F337-A345 HydrophobicContact CZ-CB 3.62Å; F337-A352 HydrophobicContact CE1-CB 4.06Å; F337-A352 HydrophobicContact CZ-CB 4.06Å
338L97.5Very high95.1Very high84 Ų8434.6 Ų34.644%0.4421%0.213SC..  trans-66.9152.9162.1-62.6176.9000109.3S340 E341 L342L338-S340 PolarHBondContact O-N 3.38Å; L338-S340 VanDerWaalsContact O-N 3.12Å; L338-E341 HydrophobicContact CB-CG 4.2Å; L338-E341 WeakPolarHBondContact CB-OE2 3.34Å; L338-E341 PolarHBondContact N-OE2 3.37Å; L338-E341 WeakPolarHBondContact O-CB 3.48Å; L338-E341 PolarHBondContact O-N 3.02Å; L338-L342 PolarHBondContact O-N 3Å
339P97.1Very high93.5Very high12 Ų1244.4 Ų44.48%0.07825%0.249CC..Hα-helixtrans-54-35.5178.5-28.435.1000114.4H323 I326 I330 E341 L342H323-P339 HydrophobicContact CB-CB 3.69Å; H323-P339 HydrophobicContact CB-CG 4.04Å; I326-P339 HydrophobicContact CB-CG 4.18Å; I330-P339 HydrophobicContact CD1-CB 4.34Å; I330-P339 HydrophobicContact CD1-CG 4.29Å; P339-E341 PolarHBondContact O-N 3.29Å; P339-L342 PolarHBondContact O-N 3.2Å
340S95.8Very high91.8Very high107 Ų10748 Ų4875%0.74827%0.267SS*.Hα-helixtrans-67.6-18.2176.751.80000114.5L338L338-S340 PolarHBondContact O-N 3.38Å; L338-S340 VanDerWaalsContact O-N 3.12Å
341E96Very high89.4Confident71 Ų7154.1 Ų54.133%0.33231%0.305SS..Hα-helixtrans-99.3-19.5-177-62.2166.1161.900111.9F337 L338 P339 Q343 A344 A345F337-E341 HydrophobicContact CB-CB 4.32Å; L338-E341 HydrophobicContact CB-CG 4.2Å; L338-E341 WeakPolarHBondContact CB-OE2 3.34Å; L338-E341 PolarHBondContact N-OE2 3.37Å; L338-E341 WeakPolarHBondContact O-CB 3.48Å; L338-E341 PolarHBondContact O-N 3.02Å; P339-E341 PolarHBondContact O-N 3.29Å; E341-Q343 PolarHBondContact O-N 3.33Å; E341-A344 PolarHBondContact O-N 3.07Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.18Å
342L94.7Very high87.1Confident0 Ų056.5 Ų56.50%032%0.324CS..Hα-helixtrans-53.6-53.9-170.7-177.271.5000112.6V243 I330 T332 L338 P339 A344 A345 L346V243-L342 HydrophobicContact CG1-CD2 3.51Å; I330-L342 HydrophobicContact CB-CD1 4.35Å; I330-L342 HydrophobicContact CD1-CD1 4.48Å; I330-L342 HydrophobicContact CD1-CD2 3.84Å; I330-L342 HydrophobicContact CG2-CD1 3.99Å; T332-L342 HydrophobicContact CG2-CD1 4.3Å; L338-L342 PolarHBondContact O-N 3Å; P339-L342 PolarHBondContact O-N 3.2Å; L342-A344 VanDerWaalsContact C-N 3.29Å; L342-A344 PolarHBondContact O-N 2.96Å; L342-A345 PolarHBondContact O-N 2.8Å; L342-L346 HydrophobicContact CD1-CD1 3.9Å; L342-L346 HydrophobicContact CD1-CG 4.05Å; L342-L346 HydrophobicContact CG-CD1 3.97Å; L342-L346 HydrophobicContact CG-CG 4.3Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 3.45Å
343Q93.8Very high84.4Confident100 Ų10068.4 Ų68.447%0.46739%0.387SS..Hα-helixtrans-60.1-41.2-176.3-172.3-178.534.800111.9L280 E341 T347L280-Q343 HydrophobicContact CD1-CG 4.41Å; L280-Q343 HydrophobicContact CD2-CB 4.44Å; L280-Q343 HydrophobicContact CD2-CG 4.29Å; E341-Q343 PolarHBondContact O-N 3.33Å; Q343-T347 WeakPolarHBondContact O-CB 3.43Å; Q343-T347 WeakPolarHBondContact O-CG2 3.44Å; Q343-T347 PolarHBondContact O-N 2.6Å; Q343-T347 VanDerWaalsContact O-N 3.16Å; Q343-T347 PolarHBondContact O-OG1 2.88Å
344A92.7Very high83.7Confident28 Ų2871 Ų7123%0.23140%0.402CS..Hα-helixtrans-70.2-40.3179.200000111.7E341 L342 T347 G348 R349 L350E341-A344 PolarHBondContact O-N 3.07Å; L342-A344 VanDerWaalsContact C-N 3.29Å; L342-A344 PolarHBondContact O-N 2.96Å; A344-T347 PolarHBondContact O-N 3.05Å; A344-T347 PolarHBondContact O-OG1 3.24Å; A344-G348 PolarHBondContact O-N 3.08Å; A344-R349 HydrophobicContact CB-CB 4.25Å; A344-R349 WeakPolarHBondContact O-CA 3.42Å; A344-R349 WeakPolarHBondContact O-CB 3.36Å; A344-R349 PolarHBondContact O-N 3.05Å; A344-L350 HydrophobicContact CB-CB 4.32Å; A344-L350 HydrophobicContact CB-CD1 3.53Å; A344-L350 HydrophobicContact CB-CG 4.47Å; A344-L350 PolarHBondContact O-N 2.71Å
345A91.4Very high83Confident5 Ų570.6 Ų70.64%0.04140%0.402CS..Hα-helixtrans-62.3-47.517600000111.8F337 E341 L342 T347 G348 L350F337-A345 HydrophobicContact CD1-CB 3.55Å; F337-A345 HydrophobicContact CD2-CB 4.21Å; F337-A345 HydrophobicContact CE1-CB 3.36Å; F337-A345 HydrophobicContact CE2-CB 4.04Å; F337-A345 HydrophobicContact CG-CB 3.97Å; F337-A345 HydrophobicContact CZ-CB 3.62Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.18Å; L342-A345 PolarHBondContact O-N 2.8Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 3.5Å; A345-G348 PolarHBondContact O-N 3.21Å; A345-G348 VanDerWaalsContact O-N 3.14Å; A345-L350 HydrophobicContact CB-CB 4.26Å
346L90.5Very high82.2Confident37 Ų3774.2 Ų74.219%0.19442%0.421CS..Hα-helixtrans-69.9-22.5-178.5-64.5-172.3000113.7C278 L280 L334 L342 G348C278-L346 HydrophobicContact CB-CD1 3.39Å; L280-L346 HydrophobicContact CD1-CB 4.11Å; L280-L346 HydrophobicContact CD2-CD1 4.29Å; L334-L346 HydrophobicContact CD1-CD2 3.9Å; L342-L346 HydrophobicContact CD1-CD1 3.9Å; L342-L346 HydrophobicContact CD1-CG 4.05Å; L342-L346 HydrophobicContact CG-CD1 3.97Å; L342-L346 HydrophobicContact CG-CG 4.3Å; L342-L346 WeakPolarHBondContact O-CB 3.32Å; L342-L346 WeakPolarHBondContact O-CG 3.29Å; L342-L346 PolarHBondContact O-N 3.45Å; L346-G348 VanDerWaalsContact C-N 3.33Å
347T89.4Confident81.2Confident69 Ų6976.8 Ų76.842%0.42344%0.435SS..THydrogen-bonded Turntrans-939.2175.455.30000113.2L280 Q343 A344 A345 R349L280-T347 HydrophobicContact CD1-CG2 3.93Å; Q343-T347 WeakPolarHBondContact O-CB 3.43Å; Q343-T347 WeakPolarHBondContact O-CG2 3.44Å; Q343-T347 PolarHBondContact O-N 2.6Å; Q343-T347 VanDerWaalsContact O-N 3.16Å; Q343-T347 PolarHBondContact O-OG1 2.88Å; A344-T347 PolarHBondContact O-N 3.05Å; A344-T347 PolarHBondContact O-OG1 3.24Å; A345-T347 VanDerWaalsContact C-N 3.27Å; A345-T347 PolarHBondContact O-N 3.5Å; T347-R349 VanDerWaalsContact C-N 3.26Å; T347-R349 PolarHBondContact O-N 3.36Å
348G78.9Confident80.2Confident68 Ų6881 Ų8170%0.70146%0.46SS*.THydrogen-bonded Turntrans72.216.6178.400000114.3A344 A345 L346A344-G348 PolarHBondContact O-N 3.08Å; A345-G348 PolarHBondContact O-N 3.21Å; A345-G348 VanDerWaalsContact O-N 3.14Å; L346-G348 VanDerWaalsContact C-N 3.33Å
349R63.5Low79Confident210 Ų21080.8 Ų80.879%0.79246%0.461SS*.SBendtrans-92.1-3.8178.4-61.4-179.4-178.3176.32.1113.1A344 T347A344-R349 HydrophobicContact CB-CB 4.25Å; A344-R349 WeakPolarHBondContact O-CA 3.42Å; A344-R349 WeakPolarHBondContact O-CB 3.36Å; A344-R349 PolarHBondContact O-N 3.05Å; T347-R349 VanDerWaalsContact C-N 3.26Å; T347-R349 PolarHBondContact O-N 3.36Å
350L62.4Low77.7Confident76 Ų7685.7 Ų85.740%0.39849%0.489SS..SBendtrans-139.8119.2176.9-115.7143.3000107.6A344 A345A344-L350 HydrophobicContact CB-CB 4.32Å; A344-L350 HydrophobicContact CB-CD1 3.53Å; A344-L350 HydrophobicContact CB-CG 4.47Å; A344-L350 PolarHBondContact O-N 2.71Å; A345-L350 HydrophobicContact CB-CB 4.26Å
351T47.3Very low76.3Confident130 Ų13084.1 Ų84.180%0.79847%0.469SS*.  trans-85.2127.6166.841.40000108.3
352A50.3Low74.7Confident49 Ų4985.2 Ų85.241%0.40548%0.48SS..  trans-55.7138.2175.400000110.6L334 F337L334-A352 WeakPolarHBondContact O-CB 3.48Å; F337-A352 HydrophobicContact CE1-CB 4.06Å; F337-A352 HydrophobicContact CZ-CB 4.06Å
353L41.5Very low72.9Confident250 Ų25092.9 Ų92.9100%1.30952%0.524SS*.  trans-700175.8-81.6165.5000111.9

Retrieved 353 of 353 residues in 75 ms (Link to these results)

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