A0A077ZIZ1_TRITR Loading...

aspartyl aminopeptidase

AlphaFold DB , UniProt , Accession A0A077ZIZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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
1M55.2Low92.2Very high222 Ų22288.1 Ų88.1100%1.09444%0.435SS*.  0-16.20-115.9-173.5-143.700111.7D3M1-D3 PolarHBondContact N-OD2 3.25Å; M1-D3 VanDerWaalsContact N-OD2 3.09Å
2E84.2Confident92.7Very high178 Ų17884.3 Ų84.383%0.83242%0.417SS*.  trans-101.718.9176.8-60.5-175.116200112.5T195E2-T195 WeakPolarHBondContact O-CG2 3.26Å; E2-T195 PolarHBondContact O-OG1 3.23Å
3D94.1Very high93.2Very high83 Ų8384.8 Ų84.844%0.44442%0.422SS..SBendtrans-85.7-15.6-175.3-48.1-69.3000112.2M1 H115 T195M1-D3 PolarHBondContact N-OD2 3.25Å; M1-D3 VanDerWaalsContact N-OD2 3.09Å; D3-H115 PolarHBondContact O-CE1 2.85Å; D3-T195 PolarHBondContact O-N 3.43Å; D3-T195 PolarHBondContact O-OG1 2.85Å; D3-T195 VanDerWaalsContact O-OG1 3.05Å
4F97.1Very high93.5Very high74 Ų7479.4 Ų79.433%0.32540%0.395SS..EExtended strand (participates in β ladder)trans-122.4145.6-174.4-56.6-59.6000112.8F6 F114 H115 M192 A193F4-F6 HydrophobicContact CB-CE2 3.9Å; F4-F6 HydrophobicContact CB-CZ 4.01Å; F4-F114 HydrophobicContact CD1-CD2 4.16Å; F4-F114 HydrophobicContact CD1-CE2 4.4Å; F4-F114 HydrophobicContact CE1-CB 4.4Å; F4-F114 AromaticContact CE1-CD2 3.56Å; F4-F114 HydrophobicContact CE1-CD2 3.56Å; F4-F114 HydrophobicContact CE1-CE2 4.12Å; F4-F114 HydrophobicContact CE1-CG 4.27Å; F4-F114 HydrophobicContact CZ-CD2 4.44Å; F4-H115 AromaticContact CE1-CE1 3.95Å; F4-H115 AromaticContact CE1-NE2 3.56Å; F4-M192 HydrophobicContact CB-CE 3.96Å; F4-M192 HydrophobicContact CD1-CE 3.41Å; F4-M192 VanDerWaalsContact CD1-CE 3.41Å; F4-M192 HydrophobicContact CD2-CE 3.49Å; F4-M192 VanDerWaalsContact CD2-CE 3.49Å; F4-M192 HydrophobicContact CE1-CE 3.69Å; F4-M192 HydrophobicContact CE2-CE 3.75Å; F4-M192 HydrophobicContact CG-CE 3.31Å; F4-M192 HydrophobicContact CZ-CE 3.85Å; F4-A193 CarbonylContact C-O 3.36Å; F4-A193 VanDerWaalsContact CA-O 3.28Å; F4-A193 WeakPolarHBondContact CA-O 3.44Å
5V96.4Very high93.8Very high42 Ų4274.3 Ų74.326%0.25537%0.37SS..EExtended strand (participates in β ladder)trans-101.6123168.7-177.40000107.9L10 M192 A193 T195 L198V5-L10 HydrophobicContact CG1-CD2 4.08Å; V5-M192 WeakPolarHBondContact O-CA 3.32Å; V5-A193 PolarHBondContact N-O 2.92Å; V5-A193 PolarHBondContact O-N 3.47Å; V5-T195 HydrophobicContact CG2-CG2 3.63Å; V5-L198 HydrophobicContact CG2-CD1 4.32Å; V5-L198 HydrophobicContact CG2-CD2 4.49Å
6F97.4Very high94.1Very high110 Ų11072.4 Ų72.448%0.48236%0.364SS..EExtended strand (participates in β ladder)trans-111.7123169.6-60.6-76.5000109.2F4 E191 M192F4-F6 HydrophobicContact CB-CE2 3.9Å; F4-F6 HydrophobicContact CB-CZ 4.01Å; F6-E191 WeakPolarHBondContact CA-O 3.02Å; F6-M192 HydrophobicContact CD1-CB 3.91Å; F6-M192 HydrophobicContact CD1-CG 3.92Å; F6-M192 HydrophobicContact CE1-CB 3.86Å; F6-M192 HydrophobicContact CE1-CE 4.04Å; F6-M192 HydrophobicContact CE1-CG 3.46Å; F6-M192 VanDerWaalsContact CE1-CG 3.46Å; F6-M192 HydrophobicContact CE1-SD 3.56Å; F6-M192 VanDerWaalsContact CE1-SD 3.56Å; F6-M192 HydrophobicContact CZ-CE 3.95Å; F6-M192 HydrophobicContact CZ-CG 4.2Å; F6-M192 HydrophobicContact CZ-SD 4.1Å
7G96.8Very high94.3Very high20 Ų2076.6 Ų76.621%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-168169.2-175.200000113.3R190 E191G7-R190 WeakPolarHBondContact O-CA 3.22Å; G7-E191 PolarHBondContact N-O 2.93Å; G7-E191 PolarHBondContact O-N 3.14Å
8A97.9Very high94.6Very high41 Ų4172.4 Ų72.434%0.33936%0.355SS..SBendtrans-88.1147.6171.600000109.8L10 A189A8-L10 VanDerWaalsContact C-N 3.28Å; A8-L10 PolarHBondContact O-N 3.25Å; A8-A189 WeakPolarHBondContact CA-O 3.02Å; A8-A189 VanDerWaalsContact CB-O 3.29Å; A8-A189 WeakPolarHBondContact CB-O 3.43Å
9R98.1Very high94.7Very high162 Ų16268.9 Ų68.961%0.61134%0.34SS*.  trans62.630.6170.9-46.2170.3-63-80.2-3.6113.5D11 L13R9-D11 CarbonylContact C-O 3.55Å; R9-D11 WeakPolarHBondContact CA-O 3.36Å; R9-D11 CarbonylContact O-C 3.5Å; R9-D11 PolarHBondContact O-N 3.32Å; R9-L13 HydrophobicContact CB-CD1 3.76Å; R9-L13 HydrophobicContact CB-CG 4.13Å; R9-L13 WeakPolarHBondContact O-CB 3.38Å; R9-L13 WeakPolarHBondContact O-CG 3.32Å; R9-L13 PolarHBondContact O-N 3.13Å
10L98.5Very high94.9Very high18 Ų1869.1 Ų69.19%0.09434%0.342CS..Hα-helixtrans-58.5-39.7168.3-57.7-176.3000108.7V5 A8 N12 L13 L14 L183 E191 A193V5-L10 HydrophobicContact CG1-CD2 4.08Å; A8-L10 VanDerWaalsContact C-N 3.28Å; A8-L10 PolarHBondContact O-N 3.25Å; L10-N12 CarbonylContact O-C 3.59Å; L10-N12 VanDerWaalsContact O-C 3.26Å; L10-N12 WeakPolarHBondContact O-CA 3.28Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-L13 VanDerWaalsContact O-N 3.15Å; L10-L14 HydrophobicContact CB-CB 4.31Å; L10-L14 HydrophobicContact CB-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 PolarHBondContact O-N 3.4Å; L10-L183 HydrophobicContact CB-CD2 4.48Å; L10-E191 VanDerWaalsContact CA-OE2 3.26Å; L10-E191 WeakPolarHBondContact CA-OE2 3.47Å; L10-E191 HydrophobicContact CB-CB 4.21Å; L10-E191 VanDerWaalsContact CB-OE2 3.22Å; L10-E191 WeakPolarHBondContact CB-OE2 3.28Å; L10-E191 HydrophobicContact CD1-CB 3.83Å; L10-E191 HydrophobicContact CG-CB 4.04Å; L10-E191 PolarHBondContact N-OE2 2.61Å; L10-A193 HydrophobicContact CD1-CB 3.81Å
11D98.5Very high95Very high19 Ų1967.2 Ų67.210%0.10233%0.334CS..Hα-helixtrans-74109.9159.2-161.2-6.6000111.3R9 V94 L183 M186 H187 E191R9-D11 CarbonylContact C-O 3.55Å; R9-D11 WeakPolarHBondContact CA-O 3.36Å; R9-D11 CarbonylContact O-C 3.5Å; R9-D11 PolarHBondContact O-N 3.32Å; D11-V94 HydrophobicContact CB-CG2 3.86Å; D11-V94 VanDerWaalsContact CG-CG2 3.41Å; D11-V94 VanDerWaalsContact OD1-CG2 3.32Å; D11-V94 WeakPolarHBondContact OD1-CG2 3.32Å; D11-L183 HydrophobicContact CB-CD2 4.48Å; D11-M186 HydrophobicContact CB-CG 4.37Å; D11-M186 WeakPolarHBondContact OD2-CG 3.47Å; D11-H187 IonicContact OD2-CD2 2.78Å; D11-H187 PolarHBondContact OD2-CD2 3.17Å; D11-H187 VanDerWaalsContact OD2-CD2 3.26Å; D11-H187 IonicContact OD2-NE2 3.73Å; D11-H187 PolarHBondContact OD2-NE2 3.2Å; D11-E191 WeakPolarHBondContact CB-OE1 3.05Å; D11-E191 PolarHBondContact N-OE2 2.84Å
12N98.5Very high97Very high42 Ų4256.7 Ų56.723%0.22528%0.282CS..Hα-helixcis-114.926.5-12.1-165.324.8000111.8L10 L14 S15 T16 A92 D93 V94L10-N12 CarbonylContact O-C 3.59Å; L10-N12 VanDerWaalsContact O-C 3.26Å; L10-N12 WeakPolarHBondContact O-CA 3.28Å; N12-L14 PolarHBondContact O-N 3.01Å; N12-S15 PolarHBondContact O-N 3.12Å; N12-S15 WeakPolarHBondContact OD1-CB 3.5Å; N12-S15 PolarHBondContact OD1-OG 3.49Å; N12-T16 PolarHBondContact O-N 3.5Å; N12-T16 PolarHBondContact O-OG1 3.18Å; N12-A92 PolarHBondContact ND2-O 3.11Å; N12-D93 VanDerWaalsContact CG-OD1 3.3Å; N12-D93 WeakPolarHBondContact ND2-CA 3.2Å; N12-D93 PolarHBondContact ND2-OD1 3.29Å; N12-V94 PolarHBondContact OD1-N 2.99Å
13L98.6Very high97.5Very high91 Ų9150.4 Ų50.448%0.47625%0.252SS..Hα-helixtrans-66.4-22.4178.2-60.7-179.6000112.4R9 L10 Y17R9-L13 HydrophobicContact CB-CD1 3.76Å; R9-L13 HydrophobicContact CB-CG 4.13Å; R9-L13 WeakPolarHBondContact O-CB 3.38Å; R9-L13 WeakPolarHBondContact O-CG 3.32Å; R9-L13 PolarHBondContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-L13 VanDerWaalsContact O-N 3.15Å; L13-Y17 WeakPolarHBondContact O-CB 3.49Å; L13-Y17 PolarHBondContact O-N 3.24Å
14L98Very high97.6Very high9 Ų951.7 Ų51.75%0.04726%0.257CS..Hα-helixtrans-63.4-50.6173.3-175.1160.4000110.8L10 N12 Y17 T18 N181 A193 L198L10-L14 HydrophobicContact CB-CB 4.31Å; L10-L14 HydrophobicContact CB-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 PolarHBondContact O-N 3.4Å; N12-L14 PolarHBondContact O-N 3.01Å; L14-Y17 PolarHBondContact O-N 2.89Å; L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 3.48Å; L14-N181 HydrophobicContact CD2-CB 3.87Å; L14-A193 HydrophobicContact CD1-CB 3.74Å; L14-L198 HydrophobicContact CD1-CD1 3.71Å; L14-L198 HydrophobicContact CD1-CG 4.27Å; L14-L198 HydrophobicContact CD2-CD1 4.49Å; L14-L198 HydrophobicContact CD2-CG 4.42Å; L14-L198 HydrophobicContact CG-CD1 4.13Å; L14-L198 HydrophobicContact CG-CG 4.13Å
15S97.9Very high97.6Very high3 Ų352.1 Ų52.12%0.02126%0.26CS..Hα-helixtrans-69.7-36.7178.2-49.50000111.2N12 Y17 T18 G19N12-S15 PolarHBondContact O-N 3.12Å; N12-S15 WeakPolarHBondContact OD1-CB 3.5Å; N12-S15 PolarHBondContact OD1-OG 3.49Å; S15-Y17 PolarHBondContact O-N 3.26Å; S15-T18 WeakPolarHBondContact CA-OG1 3.46Å; S15-T18 PolarHBondContact O-N 3.27Å; S15-T18 PolarHBondContact O-OG1 3.18Å; S15-G19 PolarHBondContact O-N 2.85Å
16T98.4Very high97.4Very high44 Ų4450.1 Ų50.127%0.2725%0.248SC..Hα-helixtrans-59.1-47174.2-56.50000111.1N12 L20 F42 A44N12-T16 PolarHBondContact O-N 3.5Å; N12-T16 PolarHBondContact O-OG1 3.18Å; T16-L20 WeakPolarHBondContact O-CB 3.38Å; T16-L20 PolarHBondContact O-N 3.06Å; T16-F42 HydrophobicContact CG2-CZ 4.09Å; T16-A44 HydrophobicContact CG2-CB 4.27Å
17Y98.4Very high97.1Very high145 Ų14547.6 Ų47.657%0.56924%0.241SC*.Hα-helixtrans-64.9-50178.8171.3-100.6000112.2L13 L14 S15 G19 L20 T21L13-Y17 WeakPolarHBondContact O-CB 3.49Å; L13-Y17 PolarHBondContact O-N 3.24Å; L14-Y17 PolarHBondContact O-N 2.89Å; S15-Y17 PolarHBondContact O-N 3.26Å; Y17-G19 PolarHBondContact O-N 3.39Å; Y17-L20 PolarHBondContact O-N 3.42Å; Y17-T21 HydrophobicContact CD2-CG2 4Å; Y17-T21 HydrophobicContact CE1-CG2 4.38Å; Y17-T21 HydrophobicContact CE2-CG2 3.61Å; Y17-T21 WeakPolarHBondContact O-CB 3.16Å; Y17-T21 WeakPolarHBondContact O-CG2 3.46Å; Y17-T21 PolarHBondContact O-N 2.99Å; Y17-T21 PolarHBondContact O-OG1 3.11Å
18T98Very high97Very high1 Ų150.5 Ų50.51%0.00626%0.264CS..Hα-helixtrans-67.1-37.4-178.451.70000111.9L14 S15 T21 G22 L198 A201L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 3.48Å; S15-T18 WeakPolarHBondContact CA-OG1 3.46Å; S15-T18 PolarHBondContact O-N 3.27Å; S15-T18 PolarHBondContact O-OG1 3.18Å; T18-T21 PolarHBondContact O-OG1 3.3Å; T18-G22 PolarHBondContact O-N 2.72Å; T18-L198 HydrophobicContact CG2-CB 4.34Å; T18-L198 HydrophobicContact CG2-CG 4.38Å; T18-L198 WeakPolarHBondContact CG2-O 3.46Å; T18-A201 HydrophobicContact CG2-CB 4.12Å
19G97.6Very high96.6Very high6 Ų651.6 Ų51.66%0.06226%0.263CS..Hα-helixtrans-65.4-47.7173.500000112.7S15 Y17 G22 F23S15-G19 PolarHBondContact O-N 2.85Å; Y17-G19 PolarHBondContact O-N 3.39Å; G19-G22 PolarHBondContact O-N 3.43Å; G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.42Å; G19-F23 PolarHBondContact O-N 3.26Å
20L98Very high96.1Very high72 Ų7250.9 Ų50.938%0.37726%0.264SS..Hα-helixtrans-65.2-46.4179.417860.6000112T16 Y17 F23 M24 F42T16-L20 WeakPolarHBondContact O-CB 3.38Å; T16-L20 PolarHBondContact O-N 3.06Å; Y17-L20 PolarHBondContact O-N 3.42Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 2.91Å; L20-M24 HydrophobicContact CD1-CG 4.3Å; L20-M24 HydrophobicContact CD1-SD 4.37Å; L20-M24 HydrophobicContact CG-SD 4.16Å; L20-M24 VanDerWaalsContact O-CG 3.3Å; L20-M24 WeakPolarHBondContact O-CG 3.47Å; L20-M24 PolarHBondContact O-N 3.41Å; L20-F42 HydrophobicContact CB-CE1 4.15Å; L20-F42 HydrophobicContact CB-CE2 4.26Å; L20-F42 HydrophobicContact CB-CZ 3.93Å; L20-F42 HydrophobicContact CD1-CD1 4.15Å; L20-F42 HydrophobicContact CD1-CE1 4.21Å
21T97.8Very high95.5Very high30 Ų3056.6 Ų56.618%0.18430%0.295CS..Hα-helixtrans-65.5-40.6178.852.70000111.7Y17 T18 F23 M24 E25 H202Y17-T21 HydrophobicContact CD2-CG2 4Å; Y17-T21 HydrophobicContact CE1-CG2 4.38Å; Y17-T21 HydrophobicContact CE2-CG2 3.61Å; Y17-T21 WeakPolarHBondContact O-CB 3.16Å; Y17-T21 WeakPolarHBondContact O-CG2 3.46Å; Y17-T21 PolarHBondContact O-N 2.99Å; Y17-T21 PolarHBondContact O-OG1 3.11Å; T18-T21 PolarHBondContact O-OG1 3.3Å; T21-F23 VanDerWaalsContact C-N 3.33Å; T21-F23 PolarHBondContact O-N 3.33Å; T21-M24 PolarHBondContact O-N 2.95Å; T21-E25 PolarHBondContact O-N 3.21Å; T21-H202 PolarHBondContact OG1-ND1 2.89Å
22G96.5Very high94.7Very high0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-61.3-41.3172.600000112.2T18 G19 E25 A26 H202T18-G22 PolarHBondContact O-N 2.72Å; G19-G22 PolarHBondContact O-N 3.43Å; G22-E25 PolarHBondContact O-N 3.23Å; G22-A26 WeakPolarHBondContact O-CB 3.39Å; G22-A26 PolarHBondContact O-N 3.49Å; G22-H202 PolarHBondContact N-ND1 2.59Å
23F95.7Very high94.1Very high46 Ų4657.5 Ų57.520%0.20230%0.302CS..Hα-helixtrans-62.9-44.6174.9174.2-91.5000112.8G19 L20 T21 E25 A26 T27 M40 F42 L209G19-F23 VanDerWaalsContact O-CB 3.28Å; G19-F23 WeakPolarHBondContact O-CB 3.42Å; G19-F23 PolarHBondContact O-N 3.26Å; L20-F23 WeakPolarHBondContact O-CB 3.36Å; L20-F23 PolarHBondContact O-N 2.91Å; T21-F23 VanDerWaalsContact C-N 3.33Å; T21-F23 PolarHBondContact O-N 3.33Å; F23-E25 PolarHBondContact O-N 3.01Å; F23-A26 PolarHBondContact O-N 2.89Å; F23-T27 HydrophobicContact CD1-CG2 4.45Å; F23-T27 HydrophobicContact CD2-CG2 4.34Å; F23-T27 HydrophobicContact CE1-CG2 4.07Å; F23-T27 HydrophobicContact CE2-CG2 3.93Å; F23-T27 HydrophobicContact CZ-CG2 3.79Å; F23-T27 WeakPolarHBondContact O-CB 3.49Å; F23-T27 WeakPolarHBondContact O-CG2 3.39Å; F23-T27 PolarHBondContact O-N 3.3Å; F23-T27 PolarHBondContact O-OG1 3.35Å; F23-M40 HydrophobicContact CE2-CB 4.02Å; F23-F42 HydrophobicContact CB-CB 4.25Å; F23-F42 HydrophobicContact CD1-CB 4.24Å; F23-F42 HydrophobicContact CD2-CB 3.8Å; F23-F42 HydrophobicContact CE2-CB 4.21Å; F23-F42 HydrophobicContact CG-CB 3.83Å; F23-L209 VanDerWaalsContact CA-CD1 3.48Å; F23-L209 HydrophobicContact CB-CD1 3.72Å; F23-L209 HydrophobicContact CD2-CD1 3.64Å; F23-L209 HydrophobicContact CD2-CD2 4.49Å; F23-L209 HydrophobicContact CG-CD1 4.14Å
24M96.4Very high93.4Very high111 Ų11158.6 Ų58.655%0.54731%0.309SS..Hα-helixtrans-62.3-43177-72174.666.400111.6L20 T21 T27 A28L20-M24 HydrophobicContact CD1-CG 4.3Å; L20-M24 HydrophobicContact CD1-SD 4.37Å; L20-M24 HydrophobicContact CG-SD 4.16Å; L20-M24 VanDerWaalsContact O-CG 3.3Å; L20-M24 WeakPolarHBondContact O-CG 3.47Å; L20-M24 PolarHBondContact O-N 3.41Å; T21-M24 PolarHBondContact O-N 2.95Å; M24-T27 PolarHBondContact O-OG1 3.44Å; M24-A28 WeakPolarHBondContact O-CB 3.29Å; M24-A28 PolarHBondContact O-N 2.84Å
25E95.3Very high92.7Very high83 Ų8361 Ų6139%0.38833%0.326SS..Hα-helixtrans-68.1-39176.5-75.2-164.1-159.200112.4T21 G22 F23 A28 H202 K206T21-E25 PolarHBondContact O-N 3.21Å; G22-E25 PolarHBondContact O-N 3.23Å; F23-E25 PolarHBondContact O-N 3.01Å; E25-A28 PolarHBondContact O-N 3.5Å; E25-H202 VanDerWaalsContact CD-CE1 3.49Å; E25-H202 VanDerWaalsContact CD-NE2 3.32Å; E25-H202 IonicContact OE1-CE1 2.9Å; E25-H202 PolarHBondContact OE1-CE1 3.07Å; E25-H202 VanDerWaalsContact OE1-CE1 3.26Å; E25-H202 IonicContact OE1-NE2 3.75Å; E25-H202 PolarHBondContact OE1-NE2 3.18Å; E25-H202 IonicContact OE2-NE2 2.79Å; E25-H202 PolarHBondContact OE2-NE2 2.83Å; E25-K206 HydrophobicContact CB-CD 3.99Å; E25-K206 HydrophobicContact CB-CG 4.27Å; E25-K206 WeakPolarHBondContact OE2-CD 3.34Å; E25-K206 WeakPolarHBondContact OE2-CE 3.46Å; E25-K206 IonicContact OE2-NZ 2.72Å; E25-K206 PolarHBondContact OE2-NZ 3.02Å
26A92.4Very high91.9Very high0 Ų062 Ų620%033%0.333CS..Hα-helixtrans-60.4-46.7175.900000111.8G22 F23 A28 M29 L209G22-A26 WeakPolarHBondContact O-CB 3.39Å; G22-A26 PolarHBondContact O-N 3.49Å; F23-A26 PolarHBondContact O-N 2.89Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.08Å; A26-M29 HydrophobicContact CB-CE 4.46Å; A26-M29 PolarHBondContact O-N 3.02Å; A26-L209 HydrophobicContact CB-CB 3.85Å; A26-L209 HydrophobicContact CB-CD1 4.16Å
27T92.5Very high91.2Very high56 Ų5664.5 Ų64.534%0.34436%0.358SS..Hα-helixtrans-75.3-17.9-178.252.90000113.7F23 M24 M29 V33 M40F23-T27 HydrophobicContact CD1-CG2 4.45Å; F23-T27 HydrophobicContact CD2-CG2 4.34Å; F23-T27 HydrophobicContact CE1-CG2 4.07Å; F23-T27 HydrophobicContact CE2-CG2 3.93Å; F23-T27 HydrophobicContact CZ-CG2 3.79Å; F23-T27 WeakPolarHBondContact O-CB 3.49Å; F23-T27 WeakPolarHBondContact O-CG2 3.39Å; F23-T27 PolarHBondContact O-N 3.3Å; F23-T27 PolarHBondContact O-OG1 3.35Å; M24-T27 PolarHBondContact O-OG1 3.44Å; T27-M29 VanDerWaalsContact C-N 3.32Å; T27-V33 WeakPolarHBondContact O-CG2 3.37Å; T27-M40 HydrophobicContact CG2-SD 4.27Å
28A94Very high90.8Very high82 Ų8259.9 Ų59.968%0.67834%0.343SS*.Hα-helixtrans-77-17171.400000113.4M24 E25 A26 K30M24-A28 WeakPolarHBondContact O-CB 3.29Å; M24-A28 PolarHBondContact O-N 2.84Å; E25-A28 PolarHBondContact O-N 3.5Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.08Å; A28-K30 PolarHBondContact O-N 2.92Å
29M90.4Very high90.4Very high64 Ų6463.8 Ų63.832%0.31537%0.367SS..  trans-81.896.4178.7-68.5-176-77.500110.5A26 T27 D31 V32 V33 K206A26-M29 HydrophobicContact CB-CE 4.46Å; A26-M29 PolarHBondContact O-N 3.02Å; T27-M29 VanDerWaalsContact C-N 3.32Å; M29-D31 VanDerWaalsContact C-N 3.31Å; M29-D31 PolarHBondContact O-N 3.48Å; M29-V32 HydrophobicContact CB-CB 4.01Å; M29-V32 HydrophobicContact CB-CG2 3.75Å; M29-V32 HydrophobicContact CE-CG2 4.43Å; M29-V32 WeakPolarHBondContact O-CA 3.1Å; M29-V32 VanDerWaalsContact O-CB 3.32Å; M29-V32 WeakPolarHBondContact O-CB 3.3Å; M29-V32 PolarHBondContact O-N 3.39Å; M29-V32 HydrophobicContact SD-CG2 4.47Å; M29-V33 PolarHBondContact O-N 3.2Å; M29-V33 VanDerWaalsContact O-N 3.11Å; M29-K206 HydrophobicContact CE-CD 4.24Å; M29-K206 HydrophobicContact CE-CG 3.89Å
30K86.2Confident90.2Very high147 Ų14765.2 Ų65.264%0.63937%0.372SS*.Hα-helixtrans-53.2-43.7-175.4-171.9172.7-179.7-179.20113.6A28 V32 V33 D34A28-K30 PolarHBondContact O-N 2.92Å; K30-V32 PolarHBondContact O-N 3.41Å; K30-V33 PolarHBondContact O-N 3.01Å; K30-V33 VanDerWaalsContact O-N 3.17Å; K30-D34 WeakPolarHBondContact CE-OD2 3.33Å; K30-D34 VanDerWaalsContact CG-OD2 3.26Å; K30-D34 WeakPolarHBondContact CG-OD2 3.38Å; K30-D34 WeakPolarHBondContact O-CB 3.43Å; K30-D34 PolarHBondContact O-N 3.43Å
31D85.5Confident90Very high138 Ų13865.1 Ų65.174%0.73837%0.371SS*.Hα-helixtrans-61.7-31.7178.5-63.2-22.7000112.5M29 S35M29-D31 VanDerWaalsContact C-N 3.31Å; M29-D31 PolarHBondContact O-N 3.48Å; D31-S35 VanDerWaalsContact O-CB 3.28Å; D31-S35 WeakPolarHBondContact O-CB 3.21Å; D31-S35 PolarHBondContact O-N 2.91Å; D31-S35 PolarHBondContact O-OG 3.37Å
32V83.1Confident90Very high21 Ų2167 Ų6713%0.12738%0.377CS..Hα-helixtrans-72.1-46.7176174.50000110.1M29 K30 S36 M40M29-V32 HydrophobicContact CB-CB 4.01Å; M29-V32 HydrophobicContact CB-CG2 3.75Å; M29-V32 HydrophobicContact CE-CG2 4.43Å; M29-V32 WeakPolarHBondContact O-CA 3.1Å; M29-V32 VanDerWaalsContact O-CB 3.32Å; M29-V32 WeakPolarHBondContact O-CB 3.3Å; M29-V32 PolarHBondContact O-N 3.39Å; M29-V32 HydrophobicContact SD-CG2 4.47Å; K30-V32 PolarHBondContact O-N 3.41Å; V32-S36 VanDerWaalsContact O-CB 3.28Å; V32-S36 WeakPolarHBondContact O-CB 3.38Å; V32-S36 PolarHBondContact O-N 3.05Å; V32-S36 VanDerWaalsContact O-N 3.13Å; V32-M40 HydrophobicContact CG1-CE 4.32Å
33V84.4Confident90Very high59 Ų5968.8 Ų68.836%0.35839%0.391SS..Hα-helixtrans-66-49.1-178.5177.50000111.2T27 M29 K30 S35 S36 M40T27-V33 WeakPolarHBondContact O-CG2 3.37Å; M29-V33 PolarHBondContact O-N 3.2Å; M29-V33 VanDerWaalsContact O-N 3.11Å; K30-V33 PolarHBondContact O-N 3.01Å; K30-V33 VanDerWaalsContact O-N 3.17Å; V33-S35 VanDerWaalsContact C-N 3.26Å; V33-S35 PolarHBondContact O-N 2.82Å; V33-S36 PolarHBondContact O-N 3.39Å; V33-M40 HydrophobicContact CG2-CE 4.06Å
34D85.2Confident90.1Very high114 Ų11469.8 Ų69.861%0.6141%0.408SS*.Hα-helixtrans-69.3-24.6-174.9-70.1-6.5000112.4K30K30-D34 WeakPolarHBondContact CE-OD2 3.33Å; K30-D34 VanDerWaalsContact CG-OD2 3.26Å; K30-D34 WeakPolarHBondContact CG-OD2 3.38Å; K30-D34 WeakPolarHBondContact O-CB 3.43Å; K30-D34 PolarHBondContact O-N 3.43Å
35S82.5Confident90.2Very high58 Ų5866.5 Ų66.541%0.40639%0.391SS..Hα-helixtrans-94.3-9.9176.666.90000114.5D31 V33D31-S35 VanDerWaalsContact O-CB 3.28Å; D31-S35 WeakPolarHBondContact O-CB 3.21Å; D31-S35 PolarHBondContact O-N 2.91Å; D31-S35 PolarHBondContact O-OG 3.37Å; V33-S35 VanDerWaalsContact C-N 3.26Å; V33-S35 PolarHBondContact O-N 2.82Å
36S82.1Confident90.3Very high25 Ų2567.1 Ų67.118%0.17540%0.397CS..  trans-79.6125.2-177-176.10000111.5V32 V33 D38V32-S36 VanDerWaalsContact O-CB 3.28Å; V32-S36 WeakPolarHBondContact O-CB 3.38Å; V32-S36 PolarHBondContact O-N 3.05Å; V32-S36 VanDerWaalsContact O-N 3.13Å; V33-S36 PolarHBondContact O-N 3.39Å; S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact OG-N 3.33Å; S36-D38 VanDerWaalsContact OG-N 3.11Å; S36-D38 PolarHBondContact OG-O 3.06Å
37A83.9Confident90.6Very high96 Ų9669.4 Ų69.479%0.79341%0.409SS*.  trans-81.9-13.5165.900000112.8
38D88.5Confident90.9Very high48 Ų4869.1 Ų69.126%0.25740%0.403SS..SBendtrans-96152.1-175.2-65.4-36.7000112.1S36 H213S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact OG-N 3.33Å; S36-D38 VanDerWaalsContact OG-N 3.11Å; S36-D38 PolarHBondContact OG-O 3.06Å; D38-H213 WeakPolarHBondContact OD2-CA 3.34Å; D38-H213 WeakPolarHBondContact OD2-CB 3.33Å; D38-H213 PolarHBondContact OD2-N 3.04Å
39V91.1Very high91Very high83 Ų8370.3 Ų70.350%0.50340%0.395SS..PPolyproline II helixtrans-84.2119.7169.3177.10000109.4I70V39-I70 HydrophobicContact CG1-CG2 4.49Å; V39-I70 HydrophobicContact CG2-CG2 4.07Å
40M91.9Very high91.4Very high36 Ų3672.9 Ų72.918%0.17741%0.414CS..PPolyproline II helixtrans-81.4128.1169.4-68.1176.5-101.100109.9F23 T27 V32 V33 L209F23-M40 HydrophobicContact CE2-CB 4.02Å; T27-M40 HydrophobicContact CG2-SD 4.27Å; V32-M40 HydrophobicContact CG1-CE 4.32Å; V33-M40 HydrophobicContact CG2-CE 4.06Å; M40-L209 HydrophobicContact CB-CD2 4.25Å; M40-L209 HydrophobicContact CG-CB 4.26Å; M40-L209 HydrophobicContact CG-CD2 4.29Å; M40-L209 HydrophobicContact SD-CB 4Å
41M94.9Very high91.8Very high71 Ų7167.9 Ų67.935%0.3540%0.404SS..  trans-132.9134.9179.4-178.9175.4-77.500110.9V66 L67 I70M41-V66 HydrophobicContact CE-CG1 3.94Å; M41-L67 HydrophobicContact CE-CD2 3.6Å; M41-L67 HydrophobicContact CE-CG 4.38Å; M41-L67 HydrophobicContact SD-CD2 3.97Å; M41-I70 HydrophobicContact CE-CD1 3.72Å
42F96.9Very high92.4Very high70 Ų7061.3 Ų61.331%0.30737%0.369SS..  trans-116.6131.2164.7174.2-91.8000108.4T16 L20 F23 A44T16-F42 HydrophobicContact CG2-CZ 4.09Å; L20-F42 HydrophobicContact CB-CE1 4.15Å; L20-F42 HydrophobicContact CB-CE2 4.26Å; L20-F42 HydrophobicContact CB-CZ 3.93Å; L20-F42 HydrophobicContact CD1-CD1 4.15Å; L20-F42 HydrophobicContact CD1-CE1 4.21Å; F23-F42 HydrophobicContact CB-CB 4.25Å; F23-F42 HydrophobicContact CD1-CB 4.24Å; F23-F42 HydrophobicContact CD2-CB 3.8Å; F23-F42 HydrophobicContact CE2-CB 4.21Å; F23-F42 HydrophobicContact CG-CB 3.83Å; F42-A44 HydrophobicContact CE1-CB 4Å; F42-A44 HydrophobicContact CZ-CB 4.22Å
43A97.4Very high93.1Very high37 Ų3769.1 Ų69.131%0.30640%0.404SS..  trans-134.9127.5177.500000109.6F45A43-F45 HydrophobicContact CB-CE1 4.48Å; A43-F45 HydrophobicContact CB-CE2 3.77Å; A43-F45 HydrophobicContact CB-CZ 3.66Å
44A97.9Very high93.7Very high66 Ų6668 Ų6855%0.54540%0.399SS..  trans-113.2131.3172.700000108.5T16 F42T16-A44 HydrophobicContact CG2-CB 4.27Å; F42-A44 HydrophobicContact CE1-CB 4Å; F42-A44 HydrophobicContact CZ-CB 4.22Å
45F98.3Very high94.2Very high43 Ų4368.4 Ų68.419%0.18941%0.406CS..  trans-111.9147.4-173.7-59.9-80.7000110.6A43 A58 T63 I164 L168A43-F45 HydrophobicContact CB-CE1 4.48Å; A43-F45 HydrophobicContact CB-CE2 3.77Å; A43-F45 HydrophobicContact CB-CZ 3.66Å; F45-A58 HydrophobicContact CB-CB 4.24Å; F45-A58 HydrophobicContact CD1-CB 4.19Å; F45-A58 HydrophobicContact CD2-CB 4.2Å; F45-A58 HydrophobicContact CG-CB 3.93Å; F45-T63 VanDerWaalsContact CE1-OG1 3.31Å; F45-T63 WeakPolarHBondContact CE1-OG1 3.47Å; F45-T63 HydrophobicContact CZ-CG2 4.49Å; F45-I164 HydrophobicContact CD2-CD1 3.79Å; F45-I164 HydrophobicContact CE2-CD1 4.24Å; F45-L168 HydrophobicContact CD2-CD1 4.41Å; F45-L168 HydrophobicContact CE2-CD1 3.68Å; F45-L168 HydrophobicContact CE2-CD2 4.42Å; F45-L168 HydrophobicContact CZ-CD1 4.11Å; F45-L168 HydrophobicContact CZ-CD2 4.05Å
46D98.2Very high94.9Very high96 Ų9668.9 Ų68.951%0.51341%0.407SS..SBendtrans-89.9170.2170.4-167.412.1000110.2E48 P56 G57D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.11Å; D46-P56 HydrophobicContact CB-CB 3.93Å; D46-P56 HydrophobicContact CB-CG 3.97Å; D46-P56 PolarHBondContact N-O 2.61Å; D46-P56 VanDerWaalsContact N-O 3.15Å; D46-G57 VanDerWaalsContact O-CA 3.23Å; D46-G57 WeakPolarHBondContact O-CA 3.33Å
47N97.9Very high95.7Very high47 Ų4767.7 Ų67.725%0.25140%0.399SS..  trans6318.8167.9-49.6146.7000115.5E49 V50 G51 S52 S54 P56N47-E49 VanDerWaalsContact C-N 3.32Å; N47-E49 PolarHBondContact O-N 3.27Å; N47-V50 HydrophobicContact CB-CG2 3.6Å; N47-V50 CarbonylContact O-C 3.59Å; N47-V50 WeakPolarHBondContact O-CG2 3.45Å; N47-V50 PolarHBondContact O-N 3.45Å; N47-G51 PolarHBondContact O-N 3.27Å; N47-S52 WeakPolarHBondContact O-CA 3.41Å; N47-S52 PolarHBondContact O-N 3.44Å; N47-S54 WeakPolarHBondContact OD1-CB 3.37Å; N47-S54 PolarHBondContact OD1-OG 2.62Å; N47-P56 WeakPolarHBondContact OD1-CG 3.43Å
48E98.3Very high96.3Very high50 Ų5063.1 Ų63.123%0.23436%0.361CS..G310 helixtrans-53.7-51.2173.5-163.5-75.3159.800111D46 V50 G51 S52 I164D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.11Å; E48-V50 PolarHBondContact O-N 3.01Å; E48-G51 PolarHBondContact O-N 2.83Å; E48-S52 WeakPolarHBondContact CA-OG 3.3Å; E48-I164 HydrophobicContact CB-CG2 4.27Å; E48-I164 HydrophobicContact CG-CG2 3.44Å; E48-I164 VanDerWaalsContact CG-CG2 3.44Å
49E97.1Very high96.8Very high107 Ų10762.4 Ų62.450%0.536%0.362SS..G310 helixtrans-62.1-12-178.9-61.4-71.3-165.300115.1N47 H187N47-E49 VanDerWaalsContact C-N 3.32Å; N47-E49 PolarHBondContact O-N 3.27Å; E49-H187 IonicContact OE1-CD2 3.26Å; E49-H187 IonicContact OE1-NE2 3.46Å; E49-H187 IonicContact OE2-CE1 2.87Å; E49-H187 IonicContact OE2-NE2 3.63Å
50V97.5Very high97.1Very high118 Ų11859.4 Ų59.472%0.71535%0.345SS*.G310 helixtrans-12015.8177.2-58.80000112.4N47 E48N47-V50 HydrophobicContact CB-CG2 3.6Å; N47-V50 CarbonylContact O-C 3.59Å; N47-V50 WeakPolarHBondContact O-CG2 3.45Å; N47-V50 PolarHBondContact O-N 3.45Å; E48-V50 PolarHBondContact O-N 3.01Å
51G96.1Very high97.3Very high42 Ų4259.1 Ų59.143%0.43335%0.348SS..THydrogen-bonded Turntrans103.31.9170.600000116.1N47 E48 E53N47-G51 PolarHBondContact O-N 3.27Å; E48-G51 PolarHBondContact O-N 2.83Å; G51-E53 PolarHBondContact O-N 3.47Å
52S97.7Very high97.4Very high1 Ų162.3 Ų62.31%0.00736%0.356CS..SBendtrans623.2178.6-60.60000117N47 E48 S54 G57 A59N47-S52 WeakPolarHBondContact O-CA 3.41Å; N47-S52 PolarHBondContact O-N 3.44Å; E48-S52 WeakPolarHBondContact CA-OG 3.3Å; S52-S54 PolarHBondContact O-N 2.96Å; S52-G57 CarbonylContact O-C 3.5Å; S52-G57 WeakPolarHBondContact O-CA 3.24Å; S52-A59 VanDerWaalsContact O-CB 3.26Å; S52-A59 WeakPolarHBondContact O-CB 3.3Å; S52-A59 PolarHBondContact O-N 2.93Å
53E97.2Very high97.4Very high185 Ų18559.5 Ų59.586%0.86434%0.344SS*.  trans-78.160.7179.8-66.1-170.117800112.2G51 A59G51-E53 PolarHBondContact O-N 3.47Å; E53-A59 HydrophobicContact CG-CB 4.47Å
54S97.3Very high97.4Very high35 Ų3559.8 Ų59.825%0.24534%0.34CS..SBendtrans-144.7169.9-178.874.20000111.5N47 S52 P56 G57 S60N47-S54 WeakPolarHBondContact OD1-CB 3.37Å; N47-S54 PolarHBondContact OD1-OG 2.62Å; S52-S54 PolarHBondContact O-N 2.96Å; S54-P56 WeakPolarHBondContact OG-CD 3.44Å; S54-G57 PolarHBondContact O-N 3.27Å; S54-G57 WeakPolarHBondContact OG-CA 3.41Å; S54-G57 PolarHBondContact OG-N 3.48Å; S54-S60 WeakPolarHBondContact O-CB 3.45Å
55V96.5Very high97.3Very high123 Ų12364.4 Ų64.475%0.74534%0.343SS*.SBendtrans-60.8-45176.8176.90000112.9G57 S60V55-G57 VanDerWaalsContact C-N 3.33Å; V55-S60 WeakPolarHBondContact O-CB 3.36Å; V55-S60 PolarHBondContact O-OG 3.48Å
56P96.9Very high97.3Very high68 Ų6864.1 Ų64.144%0.44235%0.345SS..SBendtrans-85-2.9174.635.2-38.3000114.1D46 N47 S54D46-P56 HydrophobicContact CB-CB 3.93Å; D46-P56 HydrophobicContact CB-CG 3.97Å; D46-P56 PolarHBondContact N-O 2.61Å; D46-P56 VanDerWaalsContact N-O 3.15Å; N47-P56 WeakPolarHBondContact OD1-CG 3.43Å; S54-P56 WeakPolarHBondContact OG-CD 3.44Å
57G97.9Very high97.3Very high0 Ų060.8 Ų60.80%033%0.327CS..SBendtrans-81.6164.5-178.700000114.3D46 S52 S54 V55 A59 S60D46-G57 VanDerWaalsContact O-CA 3.23Å; D46-G57 WeakPolarHBondContact O-CA 3.33Å; S52-G57 CarbonylContact O-C 3.5Å; S52-G57 WeakPolarHBondContact O-CA 3.24Å; S54-G57 PolarHBondContact O-N 3.27Å; S54-G57 WeakPolarHBondContact OG-CA 3.41Å; S54-G57 PolarHBondContact OG-N 3.48Å; V55-G57 VanDerWaalsContact C-N 3.33Å; G57-A59 PolarHBondContact O-N 3.14Å; G57-S60 WeakPolarHBondContact O-CB 3.41Å; G57-S60 PolarHBondContact O-N 2.97Å
58A98Very high97.2Very high0 Ų063.2 Ų63.20%033%0.332CS..THydrogen-bonded Turntrans-63-23.3-178.800000113.7F45 S60 I164 I167 L168F45-A58 HydrophobicContact CB-CB 4.24Å; F45-A58 HydrophobicContact CD1-CB 4.19Å; F45-A58 HydrophobicContact CD2-CB 4.2Å; F45-A58 HydrophobicContact CG-CB 3.93Å; A58-S60 PolarHBondContact O-N 3.46Å; A58-I164 HydrophobicContact CB-CB 3.74Å; A58-I164 HydrophobicContact CB-CG2 3.54Å; A58-I167 HydrophobicContact CB-CG2 4.18Å; A58-L168 HydrophobicContact CB-CD1 4.49Å; A58-L168 HydrophobicContact CB-CD2 4.27Å; A58-L168 HydrophobicContact CB-CG 4.21Å; A58-L168 WeakPolarHBondContact O-CD2 3.47Å
59A97.5Very high97.1Very high33 Ų3370.5 Ų70.527%0.27336%0.358SS..THydrogen-bonded Turntrans-82.12.3175.400000112.9S52 E53 G57 I167 K171S52-A59 VanDerWaalsContact O-CB 3.26Å; S52-A59 WeakPolarHBondContact O-CB 3.3Å; S52-A59 PolarHBondContact O-N 2.93Å; E53-A59 HydrophobicContact CG-CB 4.47Å; G57-A59 PolarHBondContact O-N 3.14Å; A59-I167 HydrophobicContact CB-CG2 3.82Å; A59-K171 PolarHBondContact O-NZ 3.44Å
60S97.6Very high97.1Very high20 Ų2069.4 Ų69.414%0.1435%0.354CS..SBendtrans-67152.2175.5-174.70000112.5S54 V55 G57 A58 W62 K171S54-S60 WeakPolarHBondContact O-CB 3.45Å; V55-S60 WeakPolarHBondContact O-CB 3.36Å; V55-S60 PolarHBondContact O-OG 3.48Å; G57-S60 WeakPolarHBondContact O-CB 3.41Å; G57-S60 PolarHBondContact O-N 2.97Å; A58-S60 PolarHBondContact O-N 3.46Å; S60-W62 PolarHBondContact O-N 2.89Å; S60-W62 WeakPolarHBondContact OG-CB 3.47Å; S60-W62 PolarHBondContact OG-N 3.24Å; S60-K171 PolarHBondContact O-NZ 2.85Å
61A96.9Very high97Very high29 Ų2966.6 Ų66.624%0.2433%0.333CS..SBendtrans-73.2-9.9171.700000112.2T63 E64 W65 K171A61-T63 PolarHBondContact O-N 3.44Å; A61-E64 PolarHBondContact O-N 3.01Å; A61-W65 HydrophobicContact CB-CD2 4.23Å; A61-W65 HydrophobicContact CB-CH2 4.5Å; A61-W65 HydrophobicContact CB-CZ2 3.85Å; A61-W65 PolarHBondContact O-N 2.99Å; A61-K171 VanDerWaalsContact N-NZ 3.17Å
62W96.5Very high96.9Very high139 Ų13972.9 Ų72.953%0.52735%0.349SS..Hα-helixtrans-53-47.6-173.9-178.388.5000113.2S60 E64 W65 V66S60-W62 PolarHBondContact O-N 2.89Å; S60-W62 WeakPolarHBondContact OG-CB 3.47Å; S60-W62 PolarHBondContact OG-N 3.24Å; W62-E64 PolarHBondContact O-N 2.94Å; W62-W65 PolarHBondContact O-N 3.35Å; W62-V66 HydrophobicContact CD2-CG2 3.96Å; W62-V66 HydrophobicContact CE3-CG2 4.3Å; W62-V66 HydrophobicContact CH2-CG2 4.1Å; W62-V66 HydrophobicContact CZ2-CG2 3.75Å; W62-V66 HydrophobicContact CZ3-CG2 4.36Å; W62-V66 WeakPolarHBondContact O-CG2 3.42Å; W62-V66 PolarHBondContact O-N 3.13Å
63T96.8Very high96.7Very high10 Ų1076 Ų766%0.06137%0.366CS..Hα-helixtrans-61.6-45.5-178.1-46.80000111.7F45 A61 W65 V66 L67 L172F45-T63 VanDerWaalsContact CE1-OG1 3.31Å; F45-T63 WeakPolarHBondContact CE1-OG1 3.47Å; F45-T63 HydrophobicContact CZ-CG2 4.49Å; A61-T63 PolarHBondContact O-N 3.44Å; T63-W65 VanDerWaalsContact C-N 3.34Å; T63-W65 PolarHBondContact O-N 3.27Å; T63-V66 PolarHBondContact O-N 3.49Å; T63-L67 HydrophobicContact CG2-CD1 4.32Å; T63-L67 WeakPolarHBondContact O-CG 3.44Å; T63-L67 PolarHBondContact O-N 2.86Å; T63-L172 HydrophobicContact CG2-CD1 3.83Å
64E97.2Very high96.5Very high44 Ų4472.2 Ų72.221%0.20636%0.357CS..Hα-helixtrans-61-44.3176.7-170.2-171.4156.700111.1A61 W62 V66 L67 R68 F80 L172A61-E64 PolarHBondContact O-N 3.01Å; W62-E64 PolarHBondContact O-N 2.94Å; E64-V66 PolarHBondContact O-N 2.78Å; E64-L67 PolarHBondContact O-N 2.93Å; E64-R68 HydrophobicContact CG-CG 4.46Å; E64-R68 WeakPolarHBondContact O-CB 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.22Å; E64-R68 IonicContact OE1-CZ 2.62Å; E64-R68 VanDerWaalsContact OE1-CZ 3.25Å; E64-R68 IonicContact OE1-NE 3.25Å; E64-R68 PolarHBondContact OE1-NE 3.19Å; E64-R68 IonicContact OE1-NH2 3.67Å; E64-R68 PolarHBondContact OE1-NH2 3.15Å; E64-F80 HydrophobicContact CG-CE1 4.37Å; E64-F80 HydrophobicContact CG-CE2 4.41Å; E64-F80 HydrophobicContact CG-CZ 3.78Å; E64-L172 HydrophobicContact CB-CD2 3.68Å; E64-L172 HydrophobicContact CG-CD2 4.15Å
65W97.1Very high96.5Very high163 Ų16377.7 Ų77.762%0.61738%0.383SS*.Hα-helixtrans-64.7-39.5-179.9-66.6-3.8000112.6A61 W62 T63 R69A61-W65 HydrophobicContact CB-CD2 4.23Å; A61-W65 HydrophobicContact CB-CH2 4.5Å; A61-W65 HydrophobicContact CB-CZ2 3.85Å; A61-W65 PolarHBondContact O-N 2.99Å; W62-W65 PolarHBondContact O-N 3.35Å; T63-W65 VanDerWaalsContact C-N 3.34Å; T63-W65 PolarHBondContact O-N 3.27Å; W65-R69 WeakPolarHBondContact O-CB 3.24Å; W65-R69 WeakPolarHBondContact O-CD 3.46Å; W65-R69 WeakPolarHBondContact O-CG 3.5Å; W65-R69 PolarHBondContact O-N 3.46Å
66V97.3Very high96.4Very high37 Ų3773.3 Ų73.322%0.22436%0.356CS..Hα-helixtrans-62.2-49174.3170.60000110M41 W62 T63 E64 R68 R69 I70M41-V66 HydrophobicContact CE-CG1 3.94Å; W62-V66 HydrophobicContact CD2-CG2 3.96Å; W62-V66 HydrophobicContact CE3-CG2 4.3Å; W62-V66 HydrophobicContact CH2-CG2 4.1Å; W62-V66 HydrophobicContact CZ2-CG2 3.75Å; W62-V66 HydrophobicContact CZ3-CG2 4.36Å; W62-V66 WeakPolarHBondContact O-CG2 3.42Å; W62-V66 PolarHBondContact O-N 3.13Å; T63-V66 PolarHBondContact O-N 3.49Å; E64-V66 PolarHBondContact O-N 2.78Å; V66-R68 PolarHBondContact O-N 2.96Å; V66-R69 PolarHBondContact O-N 3.36Å; V66-R69 VanDerWaalsContact O-N 3.17Å; V66-I70 HydrophobicContact CG1-CD1 3.8Å; V66-I70 HydrophobicContact CG1-CG1 4.5Å; V66-I70 WeakPolarHBondContact O-CG1 3.37Å; V66-I70 PolarHBondContact O-N 3.06Å
67L97.2Very high96.3Very high26 Ų2677.7 Ų77.714%0.13637%0.37CS..Hα-helixtrans-61.4-45.2179.2-69.2172.4000112.3M41 T63 E64 R69 I70 Q71 F80 I84 L172 I174M41-L67 HydrophobicContact CE-CD2 3.6Å; M41-L67 HydrophobicContact CE-CG 4.38Å; M41-L67 HydrophobicContact SD-CD2 3.97Å; T63-L67 HydrophobicContact CG2-CD1 4.32Å; T63-L67 WeakPolarHBondContact O-CG 3.44Å; T63-L67 PolarHBondContact O-N 2.86Å; E64-L67 PolarHBondContact O-N 2.93Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 3.41Å; L67-I70 PolarHBondContact O-N 3.17Å; L67-Q71 WeakPolarHBondContact O-CB 3.38Å; L67-Q71 WeakPolarHBondContact O-CG 3.44Å; L67-Q71 PolarHBondContact O-N 2.97Å; L67-F80 HydrophobicContact CB-CD2 4.1Å; L67-F80 HydrophobicContact CB-CE2 3.66Å; L67-F80 HydrophobicContact CD1-CE2 4.41Å; L67-I84 HydrophobicContact CD1-CD1 4.38Å; L67-L172 HydrophobicContact CD1-CD1 4.19Å; L67-L172 HydrophobicContact CD1-CD2 4.37Å; L67-I174 HydrophobicContact CD1-CD1 4.38Å
68R97.1Very high96.2Very high97 Ų9780.6 Ų80.637%0.36639%0.39SS..Hα-helixtrans-60-36.6175.1-75.3-176-177.3-76.2-0.7112.5E64 V66 K72 F80 E81E64-R68 HydrophobicContact CG-CG 4.46Å; E64-R68 WeakPolarHBondContact O-CB 3.3Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.22Å; E64-R68 IonicContact OE1-CZ 2.62Å; E64-R68 VanDerWaalsContact OE1-CZ 3.25Å; E64-R68 IonicContact OE1-NE 3.25Å; E64-R68 PolarHBondContact OE1-NE 3.19Å; E64-R68 IonicContact OE1-NH2 3.67Å; E64-R68 PolarHBondContact OE1-NH2 3.15Å; V66-R68 PolarHBondContact O-N 2.96Å; R68-K72 PolarHBondContact O-N 3.32Å; R68-F80 HydrophobicContact CB-CD2 4.37Å; R68-F80 HydrophobicContact CG-CB 4.12Å; R68-F80 HydrophobicContact CG-CD1 3.92Å; R68-F80 HydrophobicContact CG-CD2 3.57Å; R68-F80 HydrophobicContact CG-CE1 4.22Å; R68-F80 HydrophobicContact CG-CE2 3.89Å; R68-F80 HydrophobicContact CG-CG 3.57Å; R68-F80 HydrophobicContact CG-CZ 4.21Å; R68-F80 VanDerWaalsContact CZ-CE1 3.45Å; R68-E81 IonicContact CZ-OE1 2.61Å; R68-E81 IonicContact NH1-OE1 3.96Å; R68-E81 PolarHBondContact NH1-OE1 2.88Å; R68-E81 IonicContact NH2-OE1 3.27Å
69R96.9Very high96.1Very high204 Ų20481.4 Ų81.477%0.7740%0.395SS*.Hα-helixtrans-71.7-37177.6-74.1170.667.71572.7112.4W65 V66 L67W65-R69 WeakPolarHBondContact O-CB 3.24Å; W65-R69 WeakPolarHBondContact O-CD 3.46Å; W65-R69 WeakPolarHBondContact O-CG 3.5Å; W65-R69 PolarHBondContact O-N 3.46Å; V66-R69 PolarHBondContact O-N 3.36Å; V66-R69 VanDerWaalsContact O-N 3.17Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 3.41Å
70I96.3Very high96Very high83 Ų8380.5 Ų80.543%0.42639%0.385SS..Hα-helixtrans-67-43175.1-68.6168000110.5V39 M41 V66 L67 K72V39-I70 HydrophobicContact CG1-CG2 4.49Å; V39-I70 HydrophobicContact CG2-CG2 4.07Å; M41-I70 HydrophobicContact CE-CD1 3.72Å; V66-I70 HydrophobicContact CG1-CD1 3.8Å; V66-I70 HydrophobicContact CG1-CG1 4.5Å; V66-I70 WeakPolarHBondContact O-CG1 3.37Å; V66-I70 PolarHBondContact O-N 3.06Å; L67-I70 PolarHBondContact O-N 3.17Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 3.31Å
71Q94.8Very high95.9Very high60 Ų6083.6 Ų83.628%0.2840%0.398SS..SBendtrans-83.60.6-175.9-67.1-62.8-40.600114.3L67 D73 S79 F80L67-Q71 WeakPolarHBondContact O-CB 3.38Å; L67-Q71 WeakPolarHBondContact O-CG 3.44Å; L67-Q71 PolarHBondContact O-N 2.97Å; Q71-D73 PolarHBondContact O-N 3.39Å; Q71-S79 VanDerWaalsContact O-CB 3.24Å; Q71-S79 WeakPolarHBondContact O-CB 3.49Å; Q71-S79 PolarHBondContact O-OG 3.39Å; Q71-F80 HydrophobicContact CB-CB 4.4Å
72K94.3Very high95.8Very high174 Ų17488.6 Ų88.676%0.75741%0.41SS*.  trans-61.5110.6-173.9-175.5178.3179.5179.40111.2R68 I70R68-K72 PolarHBondContact O-N 3.32Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 3.31Å
73D94Very high95.6Very high67 Ų6782.9 Ų82.936%0.35839%0.392SS..BIsolated β-bridgetrans-120120.8172.5-177.9-12.1000109.7Q71 N75 D76Q71-D73 PolarHBondContact O-N 3.39Å; D73-N75 PolarHBondContact O-N 2.9Å; D73-N75 WeakPolarHBondContact OD1-CB 3.03Å; D73-N75 PolarHBondContact OD1-N 3.44Å; D73-D76 HydrophobicContact CB-CB 4Å; D73-D76 CarbonylContact O-C 3.42Å; D73-D76 PolarHBondContact O-N 3.31Å; D73-D76 VanDerWaalsContact O-N 3.13Å
74P93.5Very high95.6Very high105 Ų10583.2 Ų83.268%0.68239%0.393SS*.THydrogen-bonded Turntrans-61.5-23.3178.326.3-35000113.8
75N96.7Very high95.3Very high149 Ų14984.9 Ų84.980%0.79741%0.414SS*.THydrogen-bonded Turntrans-92.3-9.4179.4-55.6-55.3000112.7D73D73-N75 PolarHBondContact O-N 2.9Å; D73-N75 WeakPolarHBondContact OD1-CB 3.03Å; D73-N75 PolarHBondContact OD1-N 3.44Å
76D94.9Very high95.1Very high32 Ų3283.1 Ų83.117%0.17141%0.411CS..BIsolated β-bridgetrans-134.996.4-177.9-178.79.8000112.2D73 C78 S79 R82D73-D76 HydrophobicContact CB-CB 4Å; D73-D76 CarbonylContact O-C 3.42Å; D73-D76 PolarHBondContact O-N 3.31Å; D73-D76 VanDerWaalsContact O-N 3.13Å; D76-C78 PolarHBondContact O-N 2.99Å; D76-C78 PolarHBondContact OD1-N 3.04Å; D76-S79 VanDerWaalsContact CG-N 3.34Å; D76-S79 WeakPolarHBondContact O-CB 3.45Å; D76-S79 PolarHBondContact O-N 3.17Å; D76-S79 PolarHBondContact O-OG 3.21Å; D76-S79 PolarHBondContact OD1-N 3.46Å; D76-S79 VanDerWaalsContact OD1-N 3.14Å; D76-S79 VanDerWaalsContact OD2-CA 3.3Å; D76-S79 WeakPolarHBondContact OD2-CA 3.45Å; D76-S79 PolarHBondContact OD2-N 2.92Å; D76-R82 IonicContact OD1-CZ 3.23Å; D76-R82 IonicContact OD1-NE 3.2Å; D76-R82 IonicContact OD1-NH1 3.9Å; D76-R82 IonicContact OD1-NH2 2.89Å; D76-R82 PolarHBondContact OD1-NH2 3.21Å; D76-R82 IonicContact OD2-CZ 3.43Å; D76-R82 IonicContact OD2-NE 3.19Å; D76-R82 PolarHBondContact OD2-NE 3.38Å; D76-R82 IonicContact OD2-NH2 3.26Å; D76-R82 PolarHBondContact OD2-NH2 3.47Å
77Q93.4Very high94.9Very high159 Ų15983.3 Ų83.374%0.74341%0.414SS*.THydrogen-bonded Turntrans-67.4-17.9178.3-61.4-60.4-46.700114.1
78C96.1Very high94.8Very high62 Ų6283.4 Ų83.442%0.41941%0.413SS..THydrogen-bonded Turntrans-113.819.5-179-570000112.3D76 F80 E81 R82D76-C78 PolarHBondContact O-N 2.99Å; D76-C78 PolarHBondContact OD1-N 3.04Å; C78-F80 VanDerWaalsContact C-N 3.32Å; C78-F80 PolarHBondContact O-N 3.12Å; C78-E81 VanDerWaalsContact CA-OE2 3.31Å; C78-E81 WeakPolarHBondContact CA-OE2 3.44Å; C78-E81 PolarHBondContact O-N 3.4Å; C78-R82 PolarHBondContact O-N 2.93Å
79S95.6Very high94.7Very high16 Ų1680.2 Ų80.211%0.11240%0.403CS..Hα-helixtrans-55.1-46.9-179.740.60000111.6Q71 D76 R82 S83Q71-S79 VanDerWaalsContact O-CB 3.24Å; Q71-S79 WeakPolarHBondContact O-CB 3.49Å; Q71-S79 PolarHBondContact O-OG 3.39Å; D76-S79 VanDerWaalsContact CG-N 3.34Å; D76-S79 WeakPolarHBondContact O-CB 3.45Å; D76-S79 PolarHBondContact O-N 3.17Å; D76-S79 PolarHBondContact O-OG 3.21Å; D76-S79 PolarHBondContact OD1-N 3.46Å; D76-S79 VanDerWaalsContact OD1-N 3.14Å; D76-S79 VanDerWaalsContact OD2-CA 3.3Å; D76-S79 WeakPolarHBondContact OD2-CA 3.45Å; D76-S79 PolarHBondContact OD2-N 2.92Å; S79-R82 PolarHBondContact O-N 3.11Å; S79-S83 WeakPolarHBondContact O-CB 3.49Å; S79-S83 PolarHBondContact O-N 3.32Å
80F95.8Very high94.7Very high14 Ų1472.5 Ų72.56%0.06138%0.377CS..Hα-helixtrans-59-54.6175.3170.9-102.2000111.7E64 L67 R68 Q71 C78 R82 S83 I84E64-F80 HydrophobicContact CG-CE1 4.37Å; E64-F80 HydrophobicContact CG-CE2 4.41Å; E64-F80 HydrophobicContact CG-CZ 3.78Å; L67-F80 HydrophobicContact CB-CD2 4.1Å; L67-F80 HydrophobicContact CB-CE2 3.66Å; L67-F80 HydrophobicContact CD1-CE2 4.41Å; R68-F80 HydrophobicContact CB-CD2 4.37Å; R68-F80 HydrophobicContact CG-CB 4.12Å; R68-F80 HydrophobicContact CG-CD1 3.92Å; R68-F80 HydrophobicContact CG-CD2 3.57Å; R68-F80 HydrophobicContact CG-CE1 4.22Å; R68-F80 HydrophobicContact CG-CE2 3.89Å; R68-F80 HydrophobicContact CG-CG 3.57Å; R68-F80 HydrophobicContact CG-CZ 4.21Å; R68-F80 VanDerWaalsContact CZ-CE1 3.45Å; Q71-F80 HydrophobicContact CB-CB 4.4Å; C78-F80 VanDerWaalsContact C-N 3.32Å; C78-F80 PolarHBondContact O-N 3.12Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 2.95Å; F80-S83 WeakPolarHBondContact O-CA 3.44Å; F80-S83 WeakPolarHBondContact O-CB 3.43Å; F80-S83 PolarHBondContact O-N 2.74Å; F80-S83 PolarHBondContact O-OG 2.9Å; F80-I84 HydrophobicContact CD1-CG1 4.35Å; F80-I84 HydrophobicContact CD2-CD1 4.4Å; F80-I84 HydrophobicContact CD2-CG1 4.27Å; F80-I84 HydrophobicContact CE1-CD1 4.46Å; F80-I84 HydrophobicContact CE1-CG1 3.89Å; F80-I84 HydrophobicContact CE2-CD1 3.62Å; F80-I84 HydrophobicContact CE2-CG1 3.79Å; F80-I84 HydrophobicContact CZ-CD1 3.67Å; F80-I84 HydrophobicContact CZ-CG1 3.59Å; F80-I84 WeakPolarHBondContact O-CG1 3.31Å; F80-I84 PolarHBondContact O-N 3.06Å
81E95.8Very high94.8Very high85 Ų8568.6 Ų68.640%0.39736%0.357SS..Hα-helixtrans-59.6-38.3-176.5-68.572.4-161.500111.5R68 C78 I84 A85R68-E81 IonicContact CZ-OE1 2.61Å; R68-E81 IonicContact NH1-OE1 3.96Å; R68-E81 PolarHBondContact NH1-OE1 2.88Å; R68-E81 IonicContact NH2-OE1 3.27Å; C78-E81 VanDerWaalsContact CA-OE2 3.31Å; C78-E81 WeakPolarHBondContact CA-OE2 3.44Å; C78-E81 PolarHBondContact O-N 3.4Å; E81-I84 PolarHBondContact O-N 2.94Å; E81-A85 PolarHBondContact O-N 3.48Å
82R93.7Very high95Very high135 Ų13566.9 Ų66.951%0.50935%0.353SS..Hα-helixtrans-68-37.9173.7-75.8-165.1-78.3-97.726113.1D76 C78 S79 F80 I84 A85D76-R82 IonicContact OD1-CZ 3.23Å; D76-R82 IonicContact OD1-NE 3.2Å; D76-R82 IonicContact OD1-NH1 3.9Å; D76-R82 IonicContact OD1-NH2 2.89Å; D76-R82 PolarHBondContact OD1-NH2 3.21Å; D76-R82 IonicContact OD2-CZ 3.43Å; D76-R82 IonicContact OD2-NE 3.19Å; D76-R82 PolarHBondContact OD2-NE 3.38Å; D76-R82 IonicContact OD2-NH2 3.26Å; D76-R82 PolarHBondContact OD2-NH2 3.47Å; C78-R82 PolarHBondContact O-N 2.93Å; S79-R82 PolarHBondContact O-N 3.11Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 2.95Å; R82-I84 VanDerWaalsContact C-N 3.31Å; R82-A85 PolarHBondContact O-N 3.45Å
83S93.8Very high95.2Very high19 Ų1959.5 Ų59.513%0.13332%0.322CS..Hα-helixtrans-65.7-34.917778.20000112.1S79 F80 A85 K86 S87S79-S83 WeakPolarHBondContact O-CB 3.49Å; S79-S83 PolarHBondContact O-N 3.32Å; F80-S83 WeakPolarHBondContact O-CA 3.44Å; F80-S83 WeakPolarHBondContact O-CB 3.43Å; F80-S83 PolarHBondContact O-N 2.74Å; F80-S83 PolarHBondContact O-OG 2.9Å; S83-A85 PolarHBondContact O-N 3.48Å; S83-K86 CarbonylContact O-C 3.6Å; S83-K86 PolarHBondContact O-N 3.47Å; S83-K86 VanDerWaalsContact O-N 3.17Å; S83-S87 PolarHBondContact O-N 2.99Å; S83-S87 PolarHBondContact O-OG 2.98Å
84I95.2Very high95.4Very high17 Ų1756.4 Ų56.49%0.08731%0.306CS..Hα-helixtrans-62.2-43.9177.2-68.1-57.4000111.3L67 F80 E81 R82 K86 S87 L172 I174L67-I84 HydrophobicContact CD1-CD1 4.38Å; F80-I84 HydrophobicContact CD1-CG1 4.35Å; F80-I84 HydrophobicContact CD2-CD1 4.4Å; F80-I84 HydrophobicContact CD2-CG1 4.27Å; F80-I84 HydrophobicContact CE1-CD1 4.46Å; F80-I84 HydrophobicContact CE1-CG1 3.89Å; F80-I84 HydrophobicContact CE2-CD1 3.62Å; F80-I84 HydrophobicContact CE2-CG1 3.79Å; F80-I84 HydrophobicContact CZ-CD1 3.67Å; F80-I84 HydrophobicContact CZ-CG1 3.59Å; F80-I84 WeakPolarHBondContact O-CG1 3.31Å; F80-I84 PolarHBondContact O-N 3.06Å; E81-I84 PolarHBondContact O-N 2.94Å; R82-I84 VanDerWaalsContact C-N 3.31Å; I84-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact O-N 3.12Å; I84-S87 WeakPolarHBondContact O-CB 3.28Å; I84-S87 PolarHBondContact O-N 3.26Å; I84-L172 WeakPolarHBondContact CG2-O 3.42Å; I84-I174 HydrophobicContact CD1-CD1 3.82Å; I84-I174 HydrophobicContact CD1-CG1 3.76Å; I84-I174 HydrophobicContact CG2-CG1 4.06Å
85A92.2Very high95.6Very high79 Ų7951.6 Ų51.665%0.65327%0.274SS*.Hα-helixtrans-62.3-21.7178.700000113.7E81 R82 S83E81-A85 PolarHBondContact O-N 3.48Å; R82-A85 PolarHBondContact O-N 3.45Å; S83-A85 PolarHBondContact O-N 3.48Å
86K91.7Very high95.7Very high126 Ų12647.6 Ų47.655%0.54825%0.25SS..Hα-helixtrans-96.9-18.7179-72-172.6-175.9-177.40112.6S83 I84 Y217S83-K86 CarbonylContact O-C 3.6Å; S83-K86 PolarHBondContact O-N 3.47Å; S83-K86 VanDerWaalsContact O-N 3.17Å; I84-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact O-N 3.12Å; K86-Y217 HydrophobicContact CB-CE1 4.05Å; K86-Y217 VanDerWaalsContact CB-OH 3.3Å; K86-Y217 WeakPolarHBondContact CB-OH 3.32Å; K86-Y217 HydrophobicContact CD-CE1 4.15Å; K86-Y217 HydrophobicContact CG-CE1 3.92Å; K86-Y217 PolarHBondContact O-OH 2.77Å
87S93.6Very high95.8Very high40 Ų4046.2 Ų46.228%0.2824%0.244SC..  trans-72154.4-178.6-64.20000113S83 I84S83-S87 PolarHBondContact O-N 2.99Å; S83-S87 PolarHBondContact O-OG 2.98Å; I84-S87 WeakPolarHBondContact O-CB 3.28Å; I84-S87 PolarHBondContact O-N 3.26Å
88F94.7Very high96Very high28 Ų2839.5 Ų39.512%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-138.8140.3169.1-178.1-108000109.7L90 T134 K137 I141 Q175 A177 I212 W216F88-L90 HydrophobicContact CD1-CD2 4.26Å; F88-L90 HydrophobicContact CD1-CG 4.27Å; F88-L90 HydrophobicContact CE1-CD2 3.37Å; F88-L90 HydrophobicContact CE1-CG 3.83Å; F88-L90 HydrophobicContact CZ-CD2 3.95Å; F88-T134 HydrophobicContact CE2-CG2 3.95Å; F88-K137 HydrophobicContact CD2-CD 3.97Å; F88-K137 HydrophobicContact CE2-CB 4.11Å; F88-K137 HydrophobicContact CE2-CD 3.91Å; F88-K137 HydrophobicContact CZ-CB 4.04Å; F88-I141 HydrophobicContact CE1-CD1 4.2Å; F88-Q175 WeakPolarHBondContact CA-O 3.17Å; F88-Q175 HydrophobicContact CD2-CB 4.16Å; F88-Q175 VanDerWaalsContact CD2-O 3.24Å; F88-Q175 WeakPolarHBondContact CD2-O 3.15Å; F88-A177 HydrophobicContact CE2-CB 4.44Å; F88-A177 HydrophobicContact CZ-CB 3.88Å; F88-I212 HydrophobicContact CD1-CD1 4.29Å; F88-W216 HydrophobicContact CB-CE3 4.26Å; F88-W216 HydrophobicContact CB-CH2 3.55Å; F88-W216 HydrophobicContact CB-CZ3 3.2Å; F88-W216 AromaticContact CD1-CH2 3.23Å; F88-W216 HydrophobicContact CD1-CH2 3.23Å; F88-W216 HydrophobicContact CD1-CZ2 4.21Å; F88-W216 AromaticContact CD1-CZ3 3.88Å; F88-W216 HydrophobicContact CD1-CZ3 3.88Å; F88-W216 HydrophobicContact CD2-CH2 4.03Å; F88-W216 HydrophobicContact CD2-CZ3 4.36Å; F88-W216 AromaticContact CE1-CH2 3.76Å; F88-W216 HydrophobicContact CE1-CH2 3.76Å; F88-W216 HydrophobicContact CE1-CZ2 4.34Å; F88-W216 AromaticContact CG-CH2 3.34Å; F88-W216 HydrophobicContact CG-CH2 3.34Å; F88-W216 HydrophobicContact CG-CZ2 4.37Å; F88-W216 AromaticContact CG-CZ3 3.59Å; F88-W216 HydrophobicContact CG-CZ3 3.59Å; F88-W216 HydrophobicContact CZ-CH2 4.39Å
89L96Very high96.1Very high31 Ų3139.1 Ų39.116%0.16221%0.206CC..EExtended strand (participates in β ladder)trans-118.3129.4-177.1-170.8152.4000110.1L168 I174 Q175 T176 A177L89-L168 HydrophobicContact CD1-CB 3.92Å; L89-L168 HydrophobicContact CD1-CD1 4.05Å; L89-I174 HydrophobicContact CB-CB 4.49Å; L89-I174 HydrophobicContact CB-CG2 3.73Å; L89-Q175 PolarHBondContact N-O 2.7Å; L89-T176 HydrophobicContact CB-CG2 4.4Å; L89-T176 HydrophobicContact CD2-CG2 3.46Å; L89-T176 VanDerWaalsContact CD2-CG2 3.46Å; L89-T176 CarbonylContact O-C 3.26Å; L89-T176 VanDerWaalsContact O-CA 3.27Å; L89-T176 WeakPolarHBondContact O-CA 3.04Å; L89-A177 PolarHBondContact O-N 3.17Å
90L97.3Very high96.2Very high42 Ų4243.2 Ų43.222%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-99.3108.4166.9-70-178.6000108.7F88 A92 L138 A177 F205 A208F88-L90 HydrophobicContact CD1-CD2 4.26Å; F88-L90 HydrophobicContact CD1-CG 4.27Å; F88-L90 HydrophobicContact CE1-CD2 3.37Å; F88-L90 HydrophobicContact CE1-CG 3.83Å; F88-L90 HydrophobicContact CZ-CD2 3.95Å; L90-A92 PolarHBondContact O-N 2.64Å; L90-L138 HydrophobicContact CD1-CD1 4.49Å; L90-L138 HydrophobicContact CD2-CD1 3.55Å; L90-A177 HydrophobicContact CD2-CB 4.19Å; L90-F205 HydrophobicContact CD1-CD1 4.31Å; L90-F205 HydrophobicContact CD1-CE1 4.49Å; L90-A208 HydrophobicContact CD1-CB 3.53Å
91S98.4Very high96.3Very high1 Ų148.9 Ų48.91%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-82.8101.81731740000107.4G165 A177 D178 I179S91-G165 WeakPolarHBondContact OG-CA 3.28Å; S91-G165 PolarHBondContact OG-N 3.3Å; S91-A177 PolarHBondContact N-O 3.41Å; S91-D178 WeakPolarHBondContact CB-OD1 3.39Å; S91-D178 WeakPolarHBondContact O-CA 3.44Å; S91-D178 PolarHBondContact OG-OD1 2.86Å; S91-I179 PolarHBondContact O-N 3.38Å
92A98.4Very high96.3Very high24 Ų2451.6 Ų51.620%0.19827%0.27CS..EExtended strand (participates in β ladder)trans-94.9105.5-173.800000110.1N12 L90 I179 F205N12-A92 PolarHBondContact ND2-O 3.11Å; L90-A92 PolarHBondContact O-N 2.64Å; A92-I179 CarbonylContact C-O 3.59Å; A92-I179 VanDerWaalsContact CA-O 3.28Å; A92-I179 WeakPolarHBondContact CA-O 3.43Å; A92-F205 HydrophobicContact CB-CE1 3.87Å; A92-F205 HydrophobicContact CB-CE2 4.41Å; A92-F205 HydrophobicContact CB-CZ 3.52Å
93D98.6Very high96.4Very high18 Ų1852.2 Ų52.210%0.09627%0.273CS..  trans-152.8141.9179.8173.241.4000110.5N12 K121 T163 I179 G180N12-D93 VanDerWaalsContact CG-OD1 3.3Å; N12-D93 WeakPolarHBondContact ND2-CA 3.2Å; N12-D93 PolarHBondContact ND2-OD1 3.29Å; D93-K121 VanDerWaalsContact C-NZ 3.32Å; D93-K121 WeakPolarHBondContact O-CE 3.21Å; D93-K121 PolarHBondContact O-NZ 3.44Å; D93-K121 IonicContact OD2-NZ 2.83Å; D93-K121 PolarHBondContact OD2-NZ 3.5Å; D93-T163 HydrophobicContact CB-CG2 4.38Å; D93-T163 VanDerWaalsContact OD2-CG2 3.26Å; D93-T163 WeakPolarHBondContact OD2-CG2 3.41Å; D93-I179 PolarHBondContact N-O 3.03Å; D93-I179 CarbonylContact O-C 3.6Å; D93-I179 VanDerWaalsContact O-O 3.13Å; D93-G180 WeakPolarHBondContact O-CA 3.41Å; D93-G180 PolarHBondContact O-N 3.25Å
94V98.3Very high96.4Very high3 Ų355.5 Ų55.52%0.01830%0.295CS..  trans-56.5164.9-171.9-730000113D11 N12 K121 L183 M186D11-V94 HydrophobicContact CB-CG2 3.86Å; D11-V94 VanDerWaalsContact CG-CG2 3.41Å; D11-V94 VanDerWaalsContact OD1-CG2 3.32Å; D11-V94 WeakPolarHBondContact OD1-CG2 3.32Å; N12-V94 PolarHBondContact OD1-N 2.99Å; V94-K121 PolarHBondContact O-NZ 2.91Å; V94-L183 HydrophobicContact CB-CD2 3.44Å; V94-L183 VanDerWaalsContact CB-CD2 3.44Å; V94-L183 HydrophobicContact CB-CG 4.23Å; V94-L183 HydrophobicContact CG1-CD2 3.59Å; V94-L183 HydrophobicContact CG2-CD2 3.64Å; V94-M186 HydrophobicContact CB-CE 4.01Å; V94-M186 HydrophobicContact CG2-CE 3.56Å; V94-M186 HydrophobicContact CG2-SD 4.35Å
95S97.9Very high96.3Very high3 Ų361.1 Ų61.12%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-133.5161.7-177.3-167.20000111.2A97 N181 A182 L183S95-A97 PolarHBondContact O-N 3.23Å; S95-N181 PolarHBondContact N-O 3.15Å; S95-A182 CarbonylContact O-C 3.46Å; S95-A182 WeakPolarHBondContact O-CA 3.33Å; S95-L183 PolarHBondContact O-N 3.22Å
96H97.9Very high96.5Very high65 Ų6558.1 Ų58.130%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-85.7113.7179.9-56.3-62.6000111.2H106 M186H96-H106 PolarHBondContact O-NE2 2.83Å; H96-M186 PolarHBondContact CE1-SD 3.5Å
97A98.1Very high96.7Very high4 Ų454.1 Ų54.13%0.03328%0.275CS..PPolyproline II helixtrans-62.9147.8164.500000110.2S95 H99 H106 P112 F114 A182 L183 L184S95-A97 PolarHBondContact O-N 3.23Å; A97-H99 PolarHBondContact O-N 2.77Å; A97-H106 PolarHBondContact O-CE1 3.17Å; A97-H106 PolarHBondContact O-NE2 3.03Å; A97-P112 CarbonylContact C-O 3.55Å; A97-P112 WeakPolarHBondContact CA-O 3.36Å; A97-F114 HydrophobicContact CB-CD1 4.08Å; A97-F114 HydrophobicContact CB-CE1 3.59Å; A97-F114 HydrophobicContact CB-CZ 4.01Å; A97-A182 HydrophobicContact CB-CB 3.86Å; A97-L183 PolarHBondContact N-O 3.33Å; A97-L184 HydrophobicContact CB-CD2 3.86Å; A97-L184 HydrophobicContact CB-CG 4.02Å
98V97.7Very high96.7Very high17 Ų1759.9 Ų59.910%0.10330%0.298CS..PPolyproline II helixtrans-62.6121.1173.367.90000109.6R103 H106 T111 P112 L113V98-R103 HydrophobicContact CG2-CB 4.42Å; V98-R103 HydrophobicContact CG2-CG 3.85Å; V98-H106 HydrophobicContact CG2-CB 4.21Å; V98-T111 HydrophobicContact CB-CG2 4.39Å; V98-T111 HydrophobicContact CG2-CG2 4.01Å; V98-P112 PolarHBondContact N-O 3.21Å; V98-L113 HydrophobicContact CG1-CD2 3.56Å
99H97.7Very high96.8Very high55 Ų5565.2 Ų65.226%0.25533%0.328SS..PPolyproline II helixtrans-82.2124-177.1-168-55.2000109.9A97 N101 Y102 R103 L184A97-H99 PolarHBondContact O-N 2.77Å; H99-N101 VanDerWaalsContact C-N 3.33Å; H99-N101 PolarHBondContact ND1-N 2.93Å; H99-N101 PolarHBondContact O-N 3.43Å; H99-Y102 AromaticContact CD2-CD2 3.89Å; H99-Y102 AromaticContact CE1-CD2 3.6Å; H99-Y102 AromaticContact CE1-CE2 3.97Å; H99-Y102 AromaticContact CG-CD2 3.72Å; H99-Y102 AromaticContact ND1-CD2 3.5Å; H99-Y102 AromaticContact NE2-CD2 3.81Å; H99-Y102 CarbonylContact O-C 3.56Å; H99-Y102 VanDerWaalsContact O-C 3.28Å; H99-Y102 PolarHBondContact O-N 2.99Å; H99-R103 WeakPolarHBondContact O-CA 3.39Å; H99-R103 PolarHBondContact O-N 2.92Å; H99-L184 HydrophobicContact CB-CD2 3.98Å
100P97Very high96.9Very high102 Ų10266.3 Ų66.366%0.66233%0.332SS*.G310 helixtrans-59.8-41.4-176.321.6-32.6000112.7
101N97.9Very high96.9Very high133 Ų13365.9 Ų65.971%0.71133%0.331SS*.G310 helixtrans-78.7-12.1177.3-52.6-20.4000114.7H99H99-N101 VanDerWaalsContact C-N 3.33Å; H99-N101 PolarHBondContact ND1-N 2.93Å; H99-N101 PolarHBondContact O-N 3.43Å
102Y96.5Very high96.9Very high142 Ų14265.8 Ų65.856%0.55733%0.331SS*.G310 helixtrans-136.437.4-175.2-58-75.8000111.7H99 C104 K105H99-Y102 AromaticContact CD2-CD2 3.89Å; H99-Y102 AromaticContact CE1-CD2 3.6Å; H99-Y102 AromaticContact CE1-CE2 3.97Å; H99-Y102 AromaticContact CG-CD2 3.72Å; H99-Y102 AromaticContact ND1-CD2 3.5Å; H99-Y102 AromaticContact NE2-CD2 3.81Å; H99-Y102 CarbonylContact O-C 3.56Å; H99-Y102 VanDerWaalsContact O-C 3.28Å; H99-Y102 PolarHBondContact O-N 2.99Å; Y102-C104 PolarHBondContact O-N 3.34Å; Y102-K105 WeakPolarHBondContact O-CB 3.36Å; Y102-K105 PolarHBondContact O-N 3.03Å
103R95.3Very high96.8Very high147 Ų14768 Ų6856%0.55534%0.339SS*.G310 helixtrans-55-29.9-176.6-172.6176.1-174.6108.44.8112.7V98 H99 K105 H106V98-R103 HydrophobicContact CG2-CB 4.42Å; V98-R103 HydrophobicContact CG2-CG 3.85Å; H99-R103 WeakPolarHBondContact O-CA 3.39Å; H99-R103 PolarHBondContact O-N 2.92Å; R103-K105 PolarHBondContact O-N 3.48Å; R103-H106 PolarHBondContact O-N 2.86Å; R103-H106 VanDerWaalsContact O-N 3.13Å
104C94.1Very high96.8Very high89 Ų8968.7 Ų68.760%0.60134%0.341SS*.G310 helixtrans-61.1-13.3177.662.80000114.7Y102 K155Y102-C104 PolarHBondContact O-N 3.34Å; C104-K155 WeakPolarHBondContact O-CE 3.46Å; C104-K155 PolarHBondContact O-NZ 3.29Å
105K93.8Very high96.8Very high134 Ų13471.9 Ų71.958%0.58336%0.356SS*.G310 helixtrans-80.4-17.5176.1-63.8-59.3-169.8178.60113.8Y102 R103Y102-K105 WeakPolarHBondContact O-CB 3.36Å; Y102-K105 PolarHBondContact O-N 3.03Å; R103-K105 PolarHBondContact O-N 3.48Å
106H95.7Very high96.8Very high17 Ų1776.6 Ų76.68%0.07938%0.377CS..SBendtrans-100.2148.6-180-76.371.2000112H96 A97 V98 R103 T111 Y152 K155H96-H106 PolarHBondContact O-NE2 2.83Å; A97-H106 PolarHBondContact O-CE1 3.17Å; A97-H106 PolarHBondContact O-NE2 3.03Å; V98-H106 HydrophobicContact CG2-CB 4.21Å; R103-H106 PolarHBondContact O-N 2.86Å; R103-H106 VanDerWaalsContact O-N 3.13Å; H106-T111 HydrophobicContact CB-CG2 4.2Å; H106-Y152 AromaticContact CD2-CE2 3.9Å; H106-K155 VanDerWaalsContact C-CE 3.42Å; H106-K155 WeakPolarHBondContact O-CE 3.45Å
107D96Very high96.8Very high41 Ų4173.5 Ų73.522%0.21936%0.363CS..  trans-60.1138.9166.5-177.9-92.6000110.2N109 H110 T111 K155D107-N109 PolarHBondContact O-N 3.33Å; D107-N109 PolarHBondContact OD1-N 3.07Å; D107-H110 HydrophobicContact CB-CB 4.21Å; D107-H110 CarbonylContact O-C 3.56Å; D107-H110 PolarHBondContact O-N 2.85Å; D107-H110 VanDerWaalsContact O-N 3.15Å; D107-H110 IonicContact OD1-CE1 3.7Å; D107-H110 IonicContact OD1-CG 3.54Å; D107-H110 PolarHBondContact OD1-N 2.92Å; D107-H110 IonicContact OD1-ND1 3.61Å; D107-H110 PolarHBondContact OD1-ND1 2.94Å; D107-T111 VanDerWaalsContact O-CG2 3.25Å; D107-T111 WeakPolarHBondContact O-CG2 3.42Å; D107-K155 HydrophobicContact CB-CG 4.13Å
108E93.7Very high96.8Very high161 Ų16173.3 Ų73.375%0.75236%0.361SS*.THydrogen-bonded Turntrans-65-28.5-171.1-64.9-179-179.300112.9
109N96.6Very high96.8Very high141 Ų14172.5 Ų72.575%0.75436%0.356SS*.THydrogen-bonded Turntrans-94.6-8.7-180-63.8-50.5000113D107D107-N109 PolarHBondContact O-N 3.33Å; D107-N109 PolarHBondContact OD1-N 3.07Å
110H97.2Very high96.9Very high54 Ų5470 Ų7025%0.2535%0.345CS..  trans-129.272.4-175-54.788000110.1D107 P112 T153D107-H110 HydrophobicContact CB-CB 4.21Å; D107-H110 CarbonylContact O-C 3.56Å; D107-H110 PolarHBondContact O-N 2.85Å; D107-H110 VanDerWaalsContact O-N 3.15Å; D107-H110 IonicContact OD1-CE1 3.7Å; D107-H110 IonicContact OD1-CG 3.54Å; D107-H110 PolarHBondContact OD1-N 2.92Å; D107-H110 IonicContact OD1-ND1 3.61Å; D107-H110 PolarHBondContact OD1-ND1 2.94Å; H110-P112 VanDerWaalsContact O-CD 3.28Å; H110-P112 WeakPolarHBondContact O-CD 3.4Å; H110-T153 HydrophobicContact CB-CG2 4.19Å; H110-T153 WeakPolarHBondContact ND1-CG2 3.17Å
111T97.3Very high96.9Very high32 Ų3265.1 Ų65.120%0.19631%0.313CS..  trans-114.283.8-178.359.90000111.2V98 H106 D107 L113V98-T111 HydrophobicContact CB-CG2 4.39Å; V98-T111 HydrophobicContact CG2-CG2 4.01Å; H106-T111 HydrophobicContact CB-CG2 4.2Å; D107-T111 VanDerWaalsContact O-CG2 3.25Å; D107-T111 WeakPolarHBondContact O-CG2 3.42Å; T111-L113 PolarHBondContact O-N 3.11Å
112P98.2Very high96.9Very high0 Ų061.1 Ų61.10%029%0.293CS..  trans-56.5131.6178.2-2533.9000112A97 V98 H110 V119 Y152 A182A97-P112 CarbonylContact C-O 3.55Å; A97-P112 WeakPolarHBondContact CA-O 3.36Å; V98-P112 PolarHBondContact N-O 3.21Å; H110-P112 VanDerWaalsContact O-CD 3.28Å; H110-P112 WeakPolarHBondContact O-CD 3.4Å; P112-V119 HydrophobicContact CB-CG1 4.19Å; P112-V119 HydrophobicContact CB-CG2 3.73Å; P112-V119 HydrophobicContact CG-CG1 3.69Å; P112-V119 HydrophobicContact CG-CG2 4.17Å; P112-Y152 HydrophobicContact CG-CD2 3.94Å; P112-Y152 HydrophobicContact CG-CG 4.36Å; P112-A182 HydrophobicContact CB-CB 4.05Å
113L98Very high97Very high71 Ų7154.8 Ų54.837%0.37227%0.269SS..  trans-109.1154.1179.4-60.9175.4000110.2V98 T111 H116 Q150V98-L113 HydrophobicContact CG1-CD2 3.56Å; T111-L113 PolarHBondContact O-N 3.11Å; L113-H116 HydrophobicContact CB-CB 4.3Å; L113-H116 VanDerWaalsContact CB-CD2 3.4Å; L113-H116 WeakPolarHBondContact CB-CD2 3.41Å; L113-Q150 PolarHBondContact O-NE2 2.93Å
114F98Very high96.9Very high32 Ų3255.6 Ų55.614%0.1428%0.279CS..THydrogen-bonded Turntrans-68.6145.2169.3-71.4-30.2000111.7F4 A97 H116 A182 L184 M192F4-F114 HydrophobicContact CD1-CD2 4.16Å; F4-F114 HydrophobicContact CD1-CE2 4.4Å; F4-F114 HydrophobicContact CE1-CB 4.4Å; F4-F114 AromaticContact CE1-CD2 3.56Å; F4-F114 HydrophobicContact CE1-CD2 3.56Å; F4-F114 HydrophobicContact CE1-CE2 4.12Å; F4-F114 HydrophobicContact CE1-CG 4.27Å; F4-F114 HydrophobicContact CZ-CD2 4.44Å; A97-F114 HydrophobicContact CB-CD1 4.08Å; A97-F114 HydrophobicContact CB-CE1 3.59Å; A97-F114 HydrophobicContact CB-CZ 4.01Å; F114-H116 PolarHBondContact O-CD2 2.87Å; F114-H116 PolarHBondContact O-N 3.34Å; F114-A182 HydrophobicContact CD1-CB 4.4Å; F114-A182 WeakPolarHBondContact CE1-O 3.26Å; F114-L184 HydrophobicContact CE2-CD1 3.82Å; F114-L184 HydrophobicContact CE2-CG 4.12Å; F114-L184 HydrophobicContact CZ-CB 4.23Å; F114-L184 HydrophobicContact CZ-CD1 3.88Å; F114-L184 HydrophobicContact CZ-CG 3.65Å; F114-M192 HydrophobicContact CE2-CE 3.93Å; F114-M192 HydrophobicContact CE2-CG 4.27Å; F114-M192 HydrophobicContact CE2-SD 4.17Å; F114-M192 HydrophobicContact CZ-CG 4.24Å
115H97.6Very high97Very high70 Ų7057.7 Ų57.732%0.32428%0.284SS..THydrogen-bonded Turntrans72.37.3178.6-38.1-69.1000114.8D3 F4 S194 A196 D197D3-H115 PolarHBondContact O-CE1 2.85Å; F4-H115 AromaticContact CE1-CE1 3.95Å; F4-H115 AromaticContact CE1-NE2 3.56Å; H115-S194 PolarHBondContact CE1-OG 3.03Å; H115-S194 PolarHBondContact N-OG 3.29Å; H115-S194 PolarHBondContact ND1-OG 2.9Å; H115-A196 HydrophobicContact CB-CB 4.19Å; H115-D197 VanDerWaalsContact CA-OD1 3.29Å; H115-D197 WeakPolarHBondContact CA-OD1 3.32Å; H115-D197 PolarHBondContact N-OD1 2.83Å; H115-D197 PolarHBondContact N-OD2 3.37Å
116H97.9Very high97.1Very high101 Ų10155.5 Ų55.547%0.46828%0.276SS..SBendtrans-105.312.1-179-74.2-88.1000113L113 F114 Q150 D197L113-H116 HydrophobicContact CB-CB 4.3Å; L113-H116 VanDerWaalsContact CB-CD2 3.4Å; L113-H116 WeakPolarHBondContact CB-CD2 3.41Å; F114-H116 PolarHBondContact O-CD2 2.87Å; F114-H116 PolarHBondContact O-N 3.34Å; H116-Q150 HydrophobicContact CB-CG 3.98Å; H116-Q150 VanDerWaalsContact O-CG 3.28Å; H116-Q150 WeakPolarHBondContact O-CG 3.44Å; H116-D197 PolarHBondContact N-OD1 3.35Å
117G97.9Very high97.2Very high0 Ų060.3 Ų60.30%029%0.294CS..  trans91.9172.8173.800000114.7P148 Q150 D197G117-P148 WeakPolarHBondContact CA-O 3.29Å; G117-Q150 PolarHBondContact O-NE2 3.3Å; G117-D197 WeakPolarHBondContact CA-OD1 3.35Å; G117-D197 PolarHBondContact N-OD1 2.97Å
118P98.2Very high97.3Very high1 Ų158.9 Ų58.91%0.00629%0.285CS..  trans-59155.2179.3-24.635.5000112.4V147 P148 V149 Q150 I179 F200 A201 L204P118-V147 HydrophobicContact CG-CG1 4.25Å; P118-P148 WeakPolarHBondContact CD-O 3.17Å; P118-V149 WeakPolarHBondContact O-CA 3.28Å; P118-Q150 PolarHBondContact O-N 2.9Å; P118-I179 HydrophobicContact CB-CD1 3.71Å; P118-I179 HydrophobicContact CB-CG1 3.74Å; P118-F200 HydrophobicContact CG-CB 4.27Å; P118-A201 HydrophobicContact CG-CB 4.23Å; P118-L204 HydrophobicContact CB-CD2 4.44Å; P118-L204 HydrophobicContact CG-CD2 4.32Å
119V98.7Very high97.5Very high0 Ų051.5 Ų51.50%025%0.252CS..EExtended strand (participates in β ladder)trans-109.3116.4-171.4-170.50000109.7P112 K121 Q150 I179 G180 A182P112-V119 HydrophobicContact CB-CG1 4.19Å; P112-V119 HydrophobicContact CB-CG2 3.73Å; P112-V119 HydrophobicContact CG-CG1 3.69Å; P112-V119 HydrophobicContact CG-CG2 4.17Å; V119-K121 PolarHBondContact O-N 3.09Å; V119-Q150 HydrophobicContact CG1-CB 4.45Å; V119-Q150 HydrophobicContact CG2-CB 4.32Å; V119-I179 VanDerWaalsContact O-CA 3.3Å; V119-I179 WeakPolarHBondContact O-CA 3.43Å; V119-G180 WeakPolarHBondContact CA-O 3.41Å; V119-G180 VanDerWaalsContact CB-O 3.29Å; V119-G180 WeakPolarHBondContact CB-O 3.28Å; V119-G180 WeakPolarHBondContact CG2-O 3.4Å; V119-G180 PolarHBondContact N-O 2.84Å; V119-G180 PolarHBondContact O-N 2.91Å; V119-G180 VanDerWaalsContact O-N 3.12Å; V119-A182 HydrophobicContact CG2-CB 3.92Å
120L98.6Very high97.6Very high1 Ų144.9 Ų44.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-73117.7169.6174.156.5000109.7V122 T130 A135 L138 V149 Q150 V151 Y152 D178L120-V122 HydrophobicContact CG-CG2 4.29Å; L120-T130 HydrophobicContact CD1-CG2 3.48Å; L120-T130 VanDerWaalsContact CD1-CG2 3.48Å; L120-T130 HydrophobicContact CG-CG2 4.23Å; L120-A135 HydrophobicContact CD2-CB 3.7Å; L120-L138 HydrophobicContact CB-CD2 4.18Å; L120-L138 HydrophobicContact CD1-CD2 3.31Å; L120-L138 HydrophobicContact CD2-CD2 4.35Å; L120-L138 HydrophobicContact CG-CD2 4.12Å; L120-V149 HydrophobicContact CB-CG1 3.86Å; L120-Q150 WeakPolarHBondContact CB-O 3.42Å; L120-Q150 PolarHBondContact N-O 2.81Å; L120-V151 WeakPolarHBondContact O-CA 3.48Å; L120-Y152 PolarHBondContact O-N 2.62Å; L120-D178 WeakPolarHBondContact CD1-O 3.28Å
121K98.5Very high97.6Very high1 Ų146 Ų460%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-95.1124.4-174.6-53.2-169.4-69.6-166.50110D93 V94 V119 Y128 T130 D178D93-K121 VanDerWaalsContact C-NZ 3.32Å; D93-K121 WeakPolarHBondContact O-CE 3.21Å; D93-K121 PolarHBondContact O-NZ 3.44Å; D93-K121 IonicContact OD2-NZ 2.83Å; D93-K121 PolarHBondContact OD2-NZ 3.5Å; V94-K121 PolarHBondContact O-NZ 2.91Å; V119-K121 PolarHBondContact O-N 3.09Å; K121-Y128 HydrophobicContact CB-CD1 3.95Å; K121-Y128 HydrophobicContact CB-CD2 3.55Å; K121-Y128 HydrophobicContact CB-CE1 4.21Å; K121-Y128 HydrophobicContact CB-CE2 3.83Å; K121-Y128 HydrophobicContact CB-CG 3.62Å; K121-Y128 HydrophobicContact CD-CD1 4.26Å; K121-Y128 HydrophobicContact CD-CE1 3.89Å; K121-T130 WeakPolarHBondContact O-CB 3.43Å; K121-T130 PolarHBondContact O-OG1 2.98Å; K121-D178 HydrophobicContact CB-CB 4.04Å; K121-D178 PolarHBondContact N-O 3.38Å
122V98Very high97.5Very high49 Ų4947.5 Ų47.530%0.29725%0.245SC..  trans-128.3132179.5-174.10000109.7L120 T130 V151 Y152 T153L120-V122 HydrophobicContact CG-CG2 4.29Å; V122-T130 HydrophobicContact CG2-CG2 3.96Å; V122-V151 HydrophobicContact CG2-CG1 4.41Å; V122-Y152 PolarHBondContact N-O 2.69Å; V122-T153 WeakPolarHBondContact O-CA 3.21Å; V122-T153 WeakPolarHBondContact O-CB 3.48Å; V122-T153 PolarHBondContact O-OG1 3.37Å
123N97.6Very high97.3Very high8 Ų850.6 Ų50.64%0.04327%0.266CS..  trans-145131.3175.8178.5-85.1000110.7N125 Q126 R127 Y128 N154 C160N123-N125 VanDerWaalsContact C-N 3.28Å; N123-N125 PolarHBondContact O-N 2.96Å; N123-N125 WeakPolarHBondContact OD1-CA 3.46Å; N123-N125 WeakPolarHBondContact OD1-CB 3.04Å; N123-N125 PolarHBondContact OD1-N 3.33Å; N123-Q126 PolarHBondContact O-N 3.19Å; N123-Q126 VanDerWaalsContact O-N 3.14Å; N123-Q126 PolarHBondContact OD1-N 3.38Å; N123-R127 HydrophobicContact CB-CB 4.01Å; N123-R127 WeakPolarHBondContact OD1-CB 3.47Å; N123-R127 WeakPolarHBondContact OD1-CG 3.27Å; N123-R127 PolarHBondContact OD1-N 3.39Å; N123-Y128 HydrophobicContact CB-CD2 3.58Å; N123-Y128 HydrophobicContact CB-CE2 4.14Å; N123-Y128 HydrophobicContact CB-CG 4.36Å; N123-N154 PolarHBondContact ND2-OD1 3.38Å; N123-C160 PolarHBondContact ND2-SG 3.47Å
124Q93.7Very high97.2Very high165 Ų16547.2 Ų47.277%0.77125%0.249SC*.THydrogen-bonded Turntrans-65.9-29.5-175.4-62.9-173.21.800113.3Q126Q124-Q126 PolarHBondContact O-N 2.79Å
125N95.4Very high97.2Very high132 Ų13246.3 Ų46.371%0.70625%0.247SC*.THydrogen-bonded Turntrans-84.615.3177.8-61.9-41.6000112.8N123 R127N123-N125 VanDerWaalsContact C-N 3.28Å; N123-N125 PolarHBondContact O-N 2.96Å; N123-N125 WeakPolarHBondContact OD1-CA 3.46Å; N123-N125 WeakPolarHBondContact OD1-CB 3.04Å; N123-N125 PolarHBondContact OD1-N 3.33Å; N125-R127 HydrophobicContact CB-CG 4.42Å; N125-R127 PolarHBondContact O-N 3.48Å
126Q96.2Very high97.1Very high89 Ų8945.6 Ų45.642%0.41625%0.253SS..SBendtrans54.833.8-179-57.6-63.1-59.800113.2N123 Q124 Y128 P166N123-Q126 PolarHBondContact O-N 3.19Å; N123-Q126 VanDerWaalsContact O-N 3.14Å; N123-Q126 PolarHBondContact OD1-N 3.38Å; Q124-Q126 PolarHBondContact O-N 2.79Å; Q126-Y128 CarbonylContact C-O 3.54Å; Q126-Y128 WeakPolarHBondContact CA-O 3.03Å; Q126-Y128 PolarHBondContact O-N 3.28Å; Q126-P166 WeakPolarHBondContact O-CB 3.49Å; Q126-P166 WeakPolarHBondContact O-CG 3.45Å
127R97.4Very high96.9Very high118 Ų11842.6 Ų42.645%0.44524%0.239SC..SBendtrans-66.9-22.5165.8-61.7-67.4-176.1170.71.2112N123 N125 S162 T163 P166N123-R127 HydrophobicContact CB-CB 4.01Å; N123-R127 WeakPolarHBondContact OD1-CB 3.47Å; N123-R127 WeakPolarHBondContact OD1-CG 3.27Å; N123-R127 PolarHBondContact OD1-N 3.39Å; N125-R127 HydrophobicContact CB-CG 4.42Å; N125-R127 PolarHBondContact O-N 3.48Å; R127-S162 WeakPolarHBondContact O-CA 3.12Å; R127-S162 PolarHBondContact O-OG 3.32Å; R127-T163 PolarHBondContact O-N 2.86Å; R127-P166 WeakPolarHBondContact O-CG 3.38Å
128Y98.2Very high96.8Very high10 Ų1042.6 Ų42.64%0.03924%0.239CC..SBendtrans-123.6142.5164.7-52-53.4000106.7K121 N123 Q126 T130 Y152 T163 D178K121-Y128 HydrophobicContact CB-CD1 3.95Å; K121-Y128 HydrophobicContact CB-CD2 3.55Å; K121-Y128 HydrophobicContact CB-CE1 4.21Å; K121-Y128 HydrophobicContact CB-CE2 3.83Å; K121-Y128 HydrophobicContact CB-CG 3.62Å; K121-Y128 HydrophobicContact CD-CD1 4.26Å; K121-Y128 HydrophobicContact CD-CE1 3.89Å; N123-Y128 HydrophobicContact CB-CD2 3.58Å; N123-Y128 HydrophobicContact CB-CE2 4.14Å; N123-Y128 HydrophobicContact CB-CG 4.36Å; Q126-Y128 CarbonylContact C-O 3.54Å; Q126-Y128 WeakPolarHBondContact CA-O 3.03Å; Q126-Y128 PolarHBondContact O-N 3.28Å; Y128-T130 PolarHBondContact O-N 3.05Å; Y128-Y152 HydrophobicContact CE2-CD1 4.17Å; Y128-Y152 HydrophobicContact CE2-CE1 4.14Å; Y128-T163 HydrophobicContact CD1-CG2 3.65Å; Y128-T163 HydrophobicContact CE1-CG2 3.64Å; Y128-D178 WeakPolarHBondContact CA-OD2 3.43Å; Y128-D178 HydrophobicContact CD1-CB 4.31Å; Y128-D178 HydrophobicContact CG-CB 4.35Å
129A98.1Very high96.7Very high6 Ų647.4 Ų47.45%0.0526%0.257CS..  trans-81-0.3-176.600000113.5I131 P166 T176 D178A129-I131 PolarHBondContact O-N 2.9Å; A129-P166 HydrophobicContact CB-CG 4.32Å; A129-T176 CarbonylContact C-O 3.44Å; A129-T176 HydrophobicContact CB-CG2 3.74Å; A129-T176 VanDerWaalsContact O-O 3.08Å; A129-D178 PolarHBondContact N-OD2 3.38Å
130T98.5Very high96.5Very high3 Ų351.8 Ų51.82%0.01827%0.273CS..  trans-63.1126.6178.5-51.20000111.9L120 K121 V122 Y128 A135 D178L120-T130 HydrophobicContact CD1-CG2 3.48Å; L120-T130 VanDerWaalsContact CD1-CG2 3.48Å; L120-T130 HydrophobicContact CG-CG2 4.23Å; K121-T130 WeakPolarHBondContact O-CB 3.43Å; K121-T130 PolarHBondContact O-OG1 2.98Å; V122-T130 HydrophobicContact CG2-CG2 3.96Å; Y128-T130 PolarHBondContact O-N 3.05Å; T130-A135 HydrophobicContact CG2-CB 3.85Å; T130-D178 PolarHBondContact OG1-N 2.98Å
131I97Very high96.3Very high78 Ų7852.1 Ų52.140%0.428%0.275SS..  trans-124.8172.6171.259171.2000110.1A129 C133 T134 A135A129-I131 PolarHBondContact O-N 2.9Å; I131-C133 VanDerWaalsContact C-N 3.32Å; I131-C133 WeakPolarHBondContact CD1-SG 2.98Å; I131-C133 PolarHBondContact O-N 3.46Å; I131-T134 HydrophobicContact CD1-CG2 4.41Å; I131-T134 HydrophobicContact CG1-CG2 3.84Å; I131-T134 PolarHBondContact N-OG1 3.26Å; I131-T134 PolarHBondContact O-N 3.49Å; I131-T134 VanDerWaalsContact O-N 3.11Å; I131-T134 PolarHBondContact O-OG1 3.29Å; I131-A135 VanDerWaalsContact O-CB 3.32Å; I131-A135 WeakPolarHBondContact O-CB 3.34Å; I131-A135 PolarHBondContact O-N 2.83Å
132G96.3Very high96.2Very high63 Ų6352.3 Ų52.365%0.64928%0.277SS*.Hα-helixtrans-52.8-44-174.100000114.5A136G132-A136 PolarHBondContact O-N 2.87Å; G132-A136 VanDerWaalsContact O-N 3.07Å
133C94.4Very high96.1Very high65 Ų6555.7 Ų55.744%0.43929%0.289SS..Hα-helixtrans-71.1-38.117962.10000113I131 A136 K137I131-C133 VanDerWaalsContact C-N 3.32Å; I131-C133 WeakPolarHBondContact CD1-SG 2.98Å; I131-C133 PolarHBondContact O-N 3.46Å; C133-A136 PolarHBondContact O-N 3.42Å; C133-K137 WeakPolarHBondContact O-CG 3.45Å; C133-K137 PolarHBondContact O-N 2.94Å
134T95.7Very high95.9Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-74-33.8179.662.60000111.8F88 I131 K137 L138 Q175 T176F88-T134 HydrophobicContact CE2-CG2 3.95Å; I131-T134 HydrophobicContact CD1-CG2 4.41Å; I131-T134 HydrophobicContact CG1-CG2 3.84Å; I131-T134 PolarHBondContact N-OG1 3.26Å; I131-T134 PolarHBondContact O-N 3.49Å; I131-T134 VanDerWaalsContact O-N 3.11Å; I131-T134 PolarHBondContact O-OG1 3.29Å; T134-K137 PolarHBondContact O-N 3.28Å; T134-L138 WeakPolarHBondContact O-CB 3.16Å; T134-L138 PolarHBondContact O-N 2.84Å; T134-Q175 HydrophobicContact CG2-CB 3.79Å; T134-Q175 HydrophobicContact CG2-CG 4.39Å; T134-T176 WeakPolarHBondContact CB-O 3.32Å; T134-T176 WeakPolarHBondContact CG2-O 3.31Å; T134-T176 PolarHBondContact OG1-O 3.32Å
135A97.3Very high95.9Very high13 Ų1350.6 Ų50.611%0.10727%0.269CS..Hα-helixtrans-58.9-46.7167.500000112.1L120 T130 I131 L138 R139L120-A135 HydrophobicContact CD2-CB 3.7Å; T130-A135 HydrophobicContact CG2-CB 3.85Å; I131-A135 VanDerWaalsContact O-CB 3.32Å; I131-A135 WeakPolarHBondContact O-CB 3.34Å; I131-A135 PolarHBondContact O-N 2.83Å; A135-L138 PolarHBondContact O-N 2.89Å; A135-R139 WeakPolarHBondContact O-CG 3.49Å; A135-R139 PolarHBondContact O-N 3.3Å
136A95.5Very high96Very high55 Ų5550.8 Ų50.846%0.45527%0.27SS..Hα-helixtrans-62.8-44.6178.700000111.9G132 C133 L138 R139 R140G132-A136 PolarHBondContact O-N 2.87Å; G132-A136 VanDerWaalsContact O-N 3.07Å; C133-A136 PolarHBondContact O-N 3.42Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3Å; A136-R139 PolarHBondContact O-N 3.45Å; A136-R140 PolarHBondContact O-N 3.46Å
137K93.7Very high96.1Very high38 Ų3847 Ų4717%0.16525%0.253CS..Hα-helixtrans-56-47.3173.6-77.4-178.3173.1179.80111.9F88 C133 T134 R140 I141 W216F88-K137 HydrophobicContact CD2-CD 3.97Å; F88-K137 HydrophobicContact CE2-CB 4.11Å; F88-K137 HydrophobicContact CE2-CD 3.91Å; F88-K137 HydrophobicContact CZ-CB 4.04Å; C133-K137 WeakPolarHBondContact O-CG 3.45Å; C133-K137 PolarHBondContact O-N 2.94Å; T134-K137 PolarHBondContact O-N 3.28Å; K137-R140 WeakPolarHBondContact O-CB 3.29Å; K137-R140 PolarHBondContact O-N 3.22Å; K137-I141 WeakPolarHBondContact O-CG1 3.43Å; K137-I141 PolarHBondContact O-N 2.83Å; K137-W216 HydrophobicContact CB-CZ2 3.64Å; K137-W216 HydrophobicContact CD-CD2 4.18Å; K137-W216 HydrophobicContact CD-CH2 4.23Å; K137-W216 HydrophobicContact CD-CZ2 3.78Å; K137-W216 HydrophobicContact CG-CZ2 3.82Å
138L95.3Very high96.1Very high0 Ų044.2 Ų44.20%025%0.25CC..Hα-helixtrans-65.8-42.3178.917972.5000112.6L90 L120 T134 A135 A136 R140 I141 A142 A177 I179 L204L90-L138 HydrophobicContact CD1-CD1 4.49Å; L90-L138 HydrophobicContact CD2-CD1 3.55Å; L120-L138 HydrophobicContact CB-CD2 4.18Å; L120-L138 HydrophobicContact CD1-CD2 3.31Å; L120-L138 HydrophobicContact CD2-CD2 4.35Å; L120-L138 HydrophobicContact CG-CD2 4.12Å; T134-L138 WeakPolarHBondContact O-CB 3.16Å; T134-L138 PolarHBondContact O-N 2.84Å; A135-L138 PolarHBondContact O-N 2.89Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.44Å; L138-I141 WeakPolarHBondContact O-CB 3.49Å; L138-I141 PolarHBondContact O-N 3.15Å; L138-I141 VanDerWaalsContact O-N 3.17Å; L138-A142 PolarHBondContact O-N 3.36Å; L138-A177 HydrophobicContact CB-CB 4.29Å; L138-A177 HydrophobicContact CD2-CB 4.25Å; L138-I179 HydrophobicContact CD1-CD1 3.94Å; L138-I179 HydrophobicContact CD1-CG2 4.49Å; L138-I179 HydrophobicContact CD2-CB 4.13Å; L138-I179 HydrophobicContact CD2-CD1 3.65Å; L138-I179 HydrophobicContact CD2-CG1 4.45Å; L138-I179 HydrophobicContact CG-CD1 4.14Å; L138-L204 HydrophobicContact CD1-CD2 4.41Å
139R96.2Very high96.1Very high102 Ų10245.2 Ų45.239%0.38526%0.257SS..Hα-helixtrans-58.8-41.7174.8-74.5-178.9-172.4-73.3-0.4111.1A135 A136 I141 A142 E143A135-R139 WeakPolarHBondContact O-CG 3.49Å; A135-R139 PolarHBondContact O-N 3.3Å; A136-R139 PolarHBondContact O-N 3.45Å; R139-I141 VanDerWaalsContact C-N 3.34Å; R139-I141 PolarHBondContact O-N 3.05Å; R139-A142 WeakPolarHBondContact O-CB 3.4Å; R139-A142 PolarHBondContact O-N 3.21Å; R139-A142 VanDerWaalsContact O-N 3.15Å; R139-E143 WeakPolarHBondContact O-CG 3.3Å; R139-E143 PolarHBondContact O-N 2.8Å
140R94.4Very high96.1Very high92 Ų9246.2 Ų46.235%0.34726%0.261SS..Hα-helixtrans-62.2-41.9176-175.955.7178.7167.11112.3A136 K137 L138 A142 E143 L144A136-R140 PolarHBondContact O-N 3.46Å; K137-R140 WeakPolarHBondContact O-CB 3.29Å; K137-R140 PolarHBondContact O-N 3.22Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.44Å; R140-A142 VanDerWaalsContact C-N 3.31Å; R140-A142 PolarHBondContact O-N 3.37Å; R140-E143 WeakPolarHBondContact CD-OE2 3.39Å; R140-E143 IonicContact CZ-OE2 3.98Å; R140-E143 IonicContact NH1-OE2 3.87Å; R140-E143 PolarHBondContact NH1-OE2 3.12Å; R140-E143 PolarHBondContact O-N 2.79Å; R140-L144 HydrophobicContact CG-CD1 4.37Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.08Å; R140-L144 PolarHBondContact O-N 2.87Å; R140-L144 VanDerWaalsContact O-N 3.08Å
141I94.3Very high96.1Very high8 Ų848 Ų484%0.04127%0.272CS..Hα-helixtrans-60-44.4173.6-68.5166.5000110.5F88 K137 L138 R139 L144 A145 L204 V207 A208 I212 W216F88-I141 HydrophobicContact CE1-CD1 4.2Å; K137-I141 WeakPolarHBondContact O-CG1 3.43Å; K137-I141 PolarHBondContact O-N 2.83Å; L138-I141 WeakPolarHBondContact O-CB 3.49Å; L138-I141 PolarHBondContact O-N 3.15Å; L138-I141 VanDerWaalsContact O-N 3.17Å; R139-I141 VanDerWaalsContact C-N 3.34Å; R139-I141 PolarHBondContact O-N 3.05Å; I141-L144 PolarHBondContact O-N 2.71Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 2.81Å; I141-L204 HydrophobicContact CG2-CD1 3.93Å; I141-V207 HydrophobicContact CG2-CG1 4.48Å; I141-A208 HydrophobicContact CD1-CB 4.26Å; I141-A208 HydrophobicContact CG2-CB 3.76Å; I141-I212 HydrophobicContact CD1-CG1 4.44Å; I141-W216 HydrophobicContact CD1-CH2 4.15Å; I141-W216 HydrophobicContact CD1-CZ2 3.91Å; I141-W216 HydrophobicContact CG1-CZ2 4.48Å
142A96.4Very high96.2Very high4 Ų445.1 Ų45.13%0.03326%0.255CS..Hα-helixtrans-65.2-40179.800000113.2L138 R139 R140 A145 N146 V147 V149 L204L138-A142 PolarHBondContact O-N 3.36Å; R139-A142 WeakPolarHBondContact O-CB 3.4Å; R139-A142 PolarHBondContact O-N 3.21Å; R139-A142 VanDerWaalsContact O-N 3.15Å; R140-A142 VanDerWaalsContact C-N 3.31Å; R140-A142 PolarHBondContact O-N 3.37Å; A142-A145 CarbonylContact O-C 3.51Å; A142-A145 PolarHBondContact O-N 2.94Å; A142-N146 PolarHBondContact O-N 3.15Å; A142-V147 PolarHBondContact O-N 2.82Å; A142-V149 HydrophobicContact CB-CB 4.43Å; A142-V149 HydrophobicContact CB-CG2 3.34Å; A142-L204 HydrophobicContact CB-CD1 3.71Å
143E95.6Very high96.2Very high120 Ų12043.5 Ų43.556%0.56123%0.233SC*.Hα-helixtrans-57.7-48.8171.8-73.9169.4-169.700111.4R139 R140 A145 N146R139-E143 WeakPolarHBondContact O-CG 3.3Å; R139-E143 PolarHBondContact O-N 2.8Å; R140-E143 WeakPolarHBondContact CD-OE2 3.39Å; R140-E143 IonicContact CZ-OE2 3.98Å; R140-E143 IonicContact NH1-OE2 3.87Å; R140-E143 PolarHBondContact NH1-OE2 3.12Å; R140-E143 PolarHBondContact O-N 2.79Å; E143-A145 PolarHBondContact O-N 3.43Å; E143-N146 PolarHBondContact O-N 2.96Å
144L93.9Very high96.1Very high54 Ų5441 Ų4128%0.28322%0.216SC..Hα-helixtrans-63.4-32.2177.6-67.9169.3000112.2R140 I141 N146 V207 F211 Y215R140-L144 HydrophobicContact CG-CD1 4.37Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.08Å; R140-L144 PolarHBondContact O-N 2.87Å; R140-L144 VanDerWaalsContact O-N 3.08Å; I141-L144 PolarHBondContact O-N 2.71Å; L144-N146 VanDerWaalsContact C-N 3.25Å; L144-N146 PolarHBondContact O-N 3.34Å; L144-V207 HydrophobicContact CB-CG1 4.02Å; L144-F211 HydrophobicContact CD1-CB 4.43Å; L144-Y215 HydrophobicContact CD1-CD2 3.64Å; L144-Y215 HydrophobicContact CD1-CE2 3.33Å; L144-Y215 HydrophobicContact CD1-CG 4.42Å; L144-Y215 HydrophobicContact CD2-CE2 4.01Å; L144-Y215 WeakPolarHBondContact CD2-OH 3.36Å; L144-Y215 HydrophobicContact CG-CE2 4.33Å
145A95.1Very high96Very high12 Ų1243.3 Ų43.310%0.09923%0.226CC..THydrogen-bonded Turntrans-79.3-7.9175.800000113.6I141 A142 E143 V147 V207I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 2.81Å; A142-A145 CarbonylContact O-C 3.51Å; A142-A145 PolarHBondContact O-N 2.94Å; E143-A145 PolarHBondContact O-N 3.43Å; A145-V147 HydrophobicContact CB-CB 4.18Å; A145-V147 HydrophobicContact CB-CG2 3.79Å; A145-V147 PolarHBondContact O-N 3.34Å; A145-V207 HydrophobicContact CB-CB 3.8Å; A145-V207 HydrophobicContact CB-CG1 3.93Å; A145-V207 HydrophobicContact CB-CG2 3.85Å
146N96.8Very high95.9Very high136 Ų13650.1 Ų50.173%0.72726%0.26SS*.THydrogen-bonded Turntrans50.847-168.6-167.234000111.7A142 E143 L144A142-N146 PolarHBondContact O-N 3.15Å; E143-N146 PolarHBondContact O-N 2.96Å; L144-N146 VanDerWaalsContact C-N 3.25Å; L144-N146 PolarHBondContact O-N 3.34Å
147V98Very high95.8Very high11 Ų1154 Ų547%0.06727%0.273CS..  trans-115.6126.3-178.7167.50000109.2P118 A142 A145 F200 R203P118-V147 HydrophobicContact CG-CG1 4.25Å; A142-V147 PolarHBondContact O-N 2.82Å; A145-V147 HydrophobicContact CB-CB 4.18Å; A145-V147 HydrophobicContact CB-CG2 3.79Å; A145-V147 PolarHBondContact O-N 3.34Å; V147-F200 HydrophobicContact CG1-CB 3.85Å; V147-F200 HydrophobicContact CG1-CG 4.39Å; V147-F200 HydrophobicContact CG2-CB 4.44Å; V147-F200 HydrophobicContact CG2-CD1 4.34Å; V147-R203 HydrophobicContact CG2-CB 3.93Å
148P98.1Very high95.6Very high58 Ų5854.8 Ų54.838%0.37728%0.281SS..  trans-66.5145.7171.329-33.2000110.2G117 P118 F200G117-P148 WeakPolarHBondContact CA-O 3.29Å; P118-P148 WeakPolarHBondContact CD-O 3.17Å; P148-F200 HydrophobicContact CG-CD2 4.33Å; P148-F200 HydrophobicContact CG-CE1 4.37Å; P148-F200 HydrophobicContact CG-CE2 4.07Å; P148-F200 HydrophobicContact CG-CZ 4.1Å
149V98.3Very high95.5Very high31 Ų3160.1 Ų60.119%0.18832%0.319CS..  trans-130.1129.6177.2169.80000110P118 L120 A142P118-V149 WeakPolarHBondContact O-CA 3.28Å; L120-V149 HydrophobicContact CB-CG1 3.86Å; A142-V149 HydrophobicContact CB-CB 4.43Å; A142-V149 HydrophobicContact CB-CG2 3.34Å
150Q98.5Very high95.3Very high28 Ų2856.2 Ų56.213%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-94.6169.5174.6-55.5-176.782.900110.2L113 H116 G117 P118 V119 L120L113-Q150 PolarHBondContact O-NE2 2.93Å; H116-Q150 HydrophobicContact CB-CG 3.98Å; H116-Q150 VanDerWaalsContact O-CG 3.28Å; H116-Q150 WeakPolarHBondContact O-CG 3.44Å; G117-Q150 PolarHBondContact O-NE2 3.3Å; P118-Q150 PolarHBondContact O-N 2.9Å; V119-Q150 HydrophobicContact CG1-CB 4.45Å; V119-Q150 HydrophobicContact CG2-CB 4.32Å; L120-Q150 WeakPolarHBondContact CB-O 3.42Å; L120-Q150 PolarHBondContact N-O 2.81Å
151V98.1Very high95.2Very high41 Ų4154.2 Ų54.225%0.24832%0.315CS..EExtended strand (participates in β ladder)trans-123.7137.6175.2-172.80000109.1L120 V122L120-V151 WeakPolarHBondContact O-CA 3.48Å; V122-V151 HydrophobicContact CG2-CG1 4.41Å
152Y97.6Very high95.3Very high16 Ų1656.2 Ų56.26%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-122.7133.2171.5175-100.9000110.7H106 P112 L120 V122 Y128H106-Y152 AromaticContact CD2-CE2 3.9Å; P112-Y152 HydrophobicContact CG-CD2 3.94Å; P112-Y152 HydrophobicContact CG-CG 4.36Å; L120-Y152 PolarHBondContact O-N 2.62Å; V122-Y152 PolarHBondContact N-O 2.69Å; Y128-Y152 HydrophobicContact CE2-CD1 4.17Å; Y128-Y152 HydrophobicContact CE2-CE1 4.14Å
153T96.8Very high95.3Very high29 Ų2956.1 Ų56.118%0.17833%0.329CS..  trans-138.1144.4160.2-156.90000107.7H110 V122H110-T153 HydrophobicContact CB-CG2 4.19Å; H110-T153 WeakPolarHBondContact ND1-CG2 3.17Å; V122-T153 WeakPolarHBondContact O-CA 3.21Å; V122-T153 WeakPolarHBondContact O-CB 3.48Å; V122-T153 PolarHBondContact O-OG1 3.37Å
154N93.2Very high95.5Very high14 Ų1451.7 Ų51.78%0.07531%0.308CS..  trans-74.6155.4175.159.2-59.5000109.9N123 V158 C160N123-N154 PolarHBondContact ND2-OD1 3.38Å; N154-V158 PolarHBondContact ND2-O 3.04Å; N154-C160 HydrophobicContact CB-CB 4.22Å
155K93.7Very high95.7Very high48 Ų4849.1 Ų49.121%0.20930%0.295CS..  trans-58.9145.9167.2-63.3-170.9171.9-171.30110.3C104 H106 D107 D157 V158C104-K155 WeakPolarHBondContact O-CE 3.46Å; C104-K155 PolarHBondContact O-NZ 3.29Å; H106-K155 VanDerWaalsContact C-CE 3.42Å; H106-K155 WeakPolarHBondContact O-CE 3.45Å; D107-K155 HydrophobicContact CB-CG 4.13Å; K155-D157 WeakPolarHBondContact CB-OD1 3.36Å; K155-D157 PolarHBondContact O-N 2.87Å; K155-V158 HydrophobicContact CB-CB 4.33Å; K155-V158 HydrophobicContact CB-CG2 4.16Å; K155-V158 PolarHBondContact O-N 3.2Å
156N93.7Very high95.8Very high156 Ų15649.3 Ų49.383%0.83430%0.295SS*.THydrogen-bonded Turntrans-62-26.1-179.4-66.7-27.5000113.4
157D93.8Very high95.9Very high135 Ų13545 Ų4572%0.72227%0.272SS*.THydrogen-bonded Turntrans-900.317965.2-22.9000113.8K155K155-D157 WeakPolarHBondContact CB-OD1 3.36Å; K155-D157 PolarHBondContact O-N 2.87Å
158V91.1Very high95.9Very high55 Ų5544.8 Ų44.833%0.33327%0.27SS..SBendtrans-120.5125.8-179.6178.90000109.5N154 K155N154-V158 PolarHBondContact ND2-O 3.04Å; K155-V158 HydrophobicContact CB-CB 4.33Å; K155-V158 HydrophobicContact CB-CG2 4.16Å; K155-V158 PolarHBondContact O-N 3.2Å
159S91.9Very high95.9Very high113 Ų11343.2 Ų43.279%0.7926%0.26SS*.  trans-69.2151.8172.954.40000111.6
160C92.6Very high95.8Very high19 Ų1947.3 Ų47.313%0.12829%0.286CS..  trans-122.1156.2170.956.10000111N123 N154N123-C160 PolarHBondContact ND2-SG 3.47Å; N154-C160 HydrophobicContact CB-CB 4.22Å
161G93Very high95.7Very high51 Ų5149.8 Ų49.853%0.52630%0.296SS..  trans-61.8161166.900000111.6
162S95.3Very high95.6Very high50 Ų5048.5 Ų48.535%0.3529%0.288SS..  trans-95.5170.8167.6-165.80000109.2R127R127-S162 WeakPolarHBondContact O-CA 3.12Å; R127-S162 PolarHBondContact O-OG 3.32Å
163T97.5Very high95.5Very high2 Ų250.3 Ų50.31%0.01231%0.311CS..  trans-121.4-177.6170.566.30000110.4D93 R127 Y128 G165 P166 D178D93-T163 HydrophobicContact CB-CG2 4.38Å; D93-T163 VanDerWaalsContact OD2-CG2 3.26Å; D93-T163 WeakPolarHBondContact OD2-CG2 3.41Å; R127-T163 PolarHBondContact O-N 2.86Å; Y128-T163 HydrophobicContact CD1-CG2 3.65Å; Y128-T163 HydrophobicContact CE1-CG2 3.64Å; T163-G165 PolarHBondContact O-N 2.95Å; T163-G165 PolarHBondContact OG1-N 3.18Å; T163-P166 WeakPolarHBondContact O-CD 3.5Å; T163-P166 WeakPolarHBondContact OG1-CD 3.32Å; T163-D178 WeakPolarHBondContact CB-OD1 3.49Å; T163-D178 PolarHBondContact OG1-OD1 2.6Å
164I98.2Very high95.5Very high26 Ų2649.6 Ų49.613%0.13331%0.306CS..Hα-helixtrans-64.7-17.5165.964.7174.9000113.8F45 E48 A58 I167 L168F45-I164 HydrophobicContact CD2-CD1 3.79Å; F45-I164 HydrophobicContact CE2-CD1 4.24Å; E48-I164 HydrophobicContact CB-CG2 4.27Å; E48-I164 HydrophobicContact CG-CG2 3.44Å; E48-I164 VanDerWaalsContact CG-CG2 3.44Å; A58-I164 HydrophobicContact CB-CB 3.74Å; A58-I164 HydrophobicContact CB-CG2 3.54Å; I164-I167 WeakPolarHBondContact O-CB 3.34Å; I164-I167 PolarHBondContact O-N 2.89Å; I164-L168 HydrophobicContact CB-CD1 4.23Å; I164-L168 HydrophobicContact CD1-CD1 4.06Å; I164-L168 HydrophobicContact CG1-CD1 4.22Å; I164-L168 WeakPolarHBondContact O-CB 3.38Å; I164-L168 WeakPolarHBondContact O-CG 3.23Å; I164-L168 PolarHBondContact O-N 2.83Å
165G98.2Very high95.6Very high0 Ų052.5 Ų52.50%032%0.319CS..Hα-helixtrans-56.7-58.6-175.300000112.4S91 T163 I167 L168 S169S91-G165 WeakPolarHBondContact OG-CA 3.28Å; S91-G165 PolarHBondContact OG-N 3.3Å; T163-G165 PolarHBondContact O-N 2.95Å; T163-G165 PolarHBondContact OG1-N 3.18Å; G165-I167 VanDerWaalsContact C-N 3.29Å; G165-I167 PolarHBondContact O-N 3.49Å; G165-L168 PolarHBondContact O-N 3.46Å; G165-S169 WeakPolarHBondContact O-CB 3.48Å; G165-S169 PolarHBondContact O-N 2.65Å; G165-S169 PolarHBondContact O-OG 2.83Å
166P98.3Very high95.8Very high17 Ų1750.3 Ų50.311%0.1131%0.31CS..Hα-helixtrans-59-35.3174.8-27.635.5000114.3Q126 R127 A129 T163 S169 T170Q126-P166 WeakPolarHBondContact O-CB 3.49Å; Q126-P166 WeakPolarHBondContact O-CG 3.45Å; R127-P166 WeakPolarHBondContact O-CG 3.38Å; A129-P166 HydrophobicContact CB-CG 4.32Å; T163-P166 WeakPolarHBondContact O-CD 3.5Å; T163-P166 WeakPolarHBondContact OG1-CD 3.32Å; P166-S169 WeakPolarHBondContact CA-OG 3.37Å; P166-S169 PolarHBondContact O-OG 2.9Å; P166-T170 WeakPolarHBondContact O-CB 3.22Å; P166-T170 PolarHBondContact O-N 2.88Å; P166-T170 PolarHBondContact O-OG1 3.06Å
167I98.2Very high96Very high46 Ų4642.9 Ų42.924%0.23627%0.27CS..Hα-helixtrans-63.7-52.4179.2-65.1167000109.6A58 A59 I164 G165 K171A58-I167 HydrophobicContact CB-CG2 4.18Å; A59-I167 HydrophobicContact CB-CG2 3.82Å; I164-I167 WeakPolarHBondContact O-CB 3.34Å; I164-I167 PolarHBondContact O-N 2.89Å; G165-I167 VanDerWaalsContact C-N 3.29Å; G165-I167 PolarHBondContact O-N 3.49Å; I167-K171 VanDerWaalsContact O-CB 3.23Å; I167-K171 WeakPolarHBondContact O-CB 3.19Å; I167-K171 PolarHBondContact O-N 3.18Å
168L97.9Very high96.2Very high5 Ų536.5 Ų36.53%0.02624%0.236CC..Hα-helixtrans-70.3-41-178.9-68.5169.3000112F45 A58 L89 I164 G165 T170 K171 L172F45-L168 HydrophobicContact CD2-CD1 4.41Å; F45-L168 HydrophobicContact CE2-CD1 3.68Å; F45-L168 HydrophobicContact CE2-CD2 4.42Å; F45-L168 HydrophobicContact CZ-CD1 4.11Å; F45-L168 HydrophobicContact CZ-CD2 4.05Å; A58-L168 HydrophobicContact CB-CD1 4.49Å; A58-L168 HydrophobicContact CB-CD2 4.27Å; A58-L168 HydrophobicContact CB-CG 4.21Å; A58-L168 WeakPolarHBondContact O-CD2 3.47Å; L89-L168 HydrophobicContact CD1-CB 3.92Å; L89-L168 HydrophobicContact CD1-CD1 4.05Å; I164-L168 HydrophobicContact CB-CD1 4.23Å; I164-L168 HydrophobicContact CD1-CD1 4.06Å; I164-L168 HydrophobicContact CG1-CD1 4.22Å; I164-L168 WeakPolarHBondContact O-CB 3.38Å; I164-L168 WeakPolarHBondContact O-CG 3.23Å; I164-L168 PolarHBondContact O-N 2.83Å; G165-L168 PolarHBondContact O-N 3.46Å; L168-T170 VanDerWaalsContact C-N 3.34Å; L168-T170 PolarHBondContact O-N 3.36Å; L168-K171 PolarHBondContact O-N 3.26Å; L168-L172 HydrophobicContact CD2-CD1 4.26Å; L168-L172 WeakPolarHBondContact O-CB 3.26Å; L168-L172 PolarHBondContact O-N 3.32Å
169S97.2Very high96.6Very high25 Ų2533.9 Ų33.918%0.17522%0.22CC..Hα-helixtrans-62.8-42.9179.669.30000111.4G165 P166 G173 T176G165-S169 WeakPolarHBondContact O-CB 3.48Å; G165-S169 PolarHBondContact O-N 2.65Å; G165-S169 PolarHBondContact O-OG 2.83Å; P166-S169 WeakPolarHBondContact CA-OG 3.37Å; P166-S169 PolarHBondContact O-OG 2.9Å; S169-G173 VanDerWaalsContact O-CA 3.23Å; S169-G173 WeakPolarHBondContact O-CA 3.23Å; S169-G173 PolarHBondContact O-N 3.23Å; S169-T176 WeakPolarHBondContact CB-OG1 3.07Å
170T96.4Very high96.9Very high118 Ų11828.6 Ų28.672%0.72418%0.184SC*.Hα-helixtrans-67.8-43.1178.2-56.70000111P166 L168P166-T170 WeakPolarHBondContact O-CB 3.22Å; P166-T170 PolarHBondContact O-N 2.88Å; P166-T170 PolarHBondContact O-OG1 3.06Å; L168-T170 VanDerWaalsContact C-N 3.34Å; L168-T170 PolarHBondContact O-N 3.36Å
171K96.1Very high97.2Very high80 Ų8027.8 Ų27.835%0.34818%0.178SC..Hα-helixtrans-73.1-39.5-175.1-169.3166.1-168.2175.80113.4A59 S60 A61 I167 L168A59-K171 PolarHBondContact O-NZ 3.44Å; S60-K171 PolarHBondContact O-NZ 2.85Å; A61-K171 VanDerWaalsContact N-NZ 3.17Å; I167-K171 VanDerWaalsContact O-CB 3.23Å; I167-K171 WeakPolarHBondContact O-CB 3.19Å; I167-K171 PolarHBondContact O-N 3.18Å; L168-K171 PolarHBondContact O-N 3.26Å
172L97Very high97.4Very high14 Ų1425.4 Ų25.47%0.07315%0.153CC..Hα-helixtrans-99.4-18.5-174.8-59.5174.1000113.2T63 E64 L67 I84 L168 I174T63-L172 HydrophobicContact CG2-CD1 3.83Å; E64-L172 HydrophobicContact CB-CD2 3.68Å; E64-L172 HydrophobicContact CG-CD2 4.15Å; L67-L172 HydrophobicContact CD1-CD1 4.19Å; L67-L172 HydrophobicContact CD1-CD2 4.37Å; I84-L172 WeakPolarHBondContact CG2-O 3.42Å; L168-L172 HydrophobicContact CD2-CD1 4.26Å; L168-L172 WeakPolarHBondContact O-CB 3.26Å; L168-L172 PolarHBondContact O-N 3.32Å; L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 HydrophobicContact CB-CD1 3.85Å; L172-I174 HydrophobicContact CB-CG1 3.83Å; L172-I174 HydrophobicContact CD1-CD1 3.88Å
173G96.2Very high97.6Very high54 Ų5423.1 Ų23.156%0.55714%0.137SC*.  trans73.218.5-173.600000114S169S169-G173 VanDerWaalsContact O-CA 3.23Å; S169-G173 WeakPolarHBondContact O-CA 3.23Å; S169-G173 PolarHBondContact O-N 3.23Å
174I96.5Very high97.6Very high14 Ų1424.3 Ų24.37%0.07214%0.143CC..  trans-86.4138.3-179-59.8173.5000109.8L67 I84 L89 L172 T176L67-I174 HydrophobicContact CD1-CD1 4.38Å; I84-I174 HydrophobicContact CD1-CD1 3.82Å; I84-I174 HydrophobicContact CD1-CG1 3.76Å; I84-I174 HydrophobicContact CG2-CG1 4.06Å; L89-I174 HydrophobicContact CB-CB 4.49Å; L89-I174 HydrophobicContact CB-CG2 3.73Å; L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 HydrophobicContact CB-CD1 3.85Å; L172-I174 HydrophobicContact CB-CG1 3.83Å; L172-I174 HydrophobicContact CD1-CD1 3.88Å; I174-T176 PolarHBondContact O-N 3.37Å; I174-T176 PolarHBondContact O-OG1 3.15Å
175Q95.6Very high97.6Very high74 Ų7425.6 Ų25.635%0.34616%0.158SC..EExtended strand (participates in β ladder)trans-64.2120.9170.1-74.5-178.634.900110.2F88 L89 T134F88-Q175 WeakPolarHBondContact CA-O 3.17Å; F88-Q175 HydrophobicContact CD2-CB 4.16Å; F88-Q175 VanDerWaalsContact CD2-O 3.24Å; F88-Q175 WeakPolarHBondContact CD2-O 3.15Å; L89-Q175 PolarHBondContact N-O 2.7Å; T134-Q175 HydrophobicContact CG2-CB 3.79Å; T134-Q175 HydrophobicContact CG2-CG 4.39Å
176T97.4Very high97.6Very high3 Ų327.7 Ų27.72%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-119.5143-173.6-60.60000112L89 A129 T134 S169 I174L89-T176 HydrophobicContact CB-CG2 4.4Å; L89-T176 HydrophobicContact CD2-CG2 3.46Å; L89-T176 VanDerWaalsContact CD2-CG2 3.46Å; L89-T176 CarbonylContact O-C 3.26Å; L89-T176 VanDerWaalsContact O-CA 3.27Å; L89-T176 WeakPolarHBondContact O-CA 3.04Å; A129-T176 CarbonylContact C-O 3.44Å; A129-T176 HydrophobicContact CB-CG2 3.74Å; A129-T176 VanDerWaalsContact O-O 3.08Å; T134-T176 WeakPolarHBondContact CB-O 3.32Å; T134-T176 WeakPolarHBondContact CG2-O 3.31Å; T134-T176 PolarHBondContact OG1-O 3.32Å; S169-T176 WeakPolarHBondContact CB-OG1 3.07Å; I174-T176 PolarHBondContact O-N 3.37Å; I174-T176 PolarHBondContact O-OG1 3.15Å
177A98Very high97.6Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-121.5135.7162.400000109.9F88 L89 L90 S91 L138F88-A177 HydrophobicContact CE2-CB 4.44Å; F88-A177 HydrophobicContact CZ-CB 3.88Å; L89-A177 PolarHBondContact O-N 3.17Å; L90-A177 HydrophobicContact CD2-CB 4.19Å; S91-A177 PolarHBondContact N-O 3.41Å; L138-A177 HydrophobicContact CB-CB 4.29Å; L138-A177 HydrophobicContact CD2-CB 4.25Å
178D98.7Very high97.6Very high0 Ų033.4 Ų33.40%020%0.198CC..EExtended strand (participates in β ladder)trans-93.8129.5173.7-79.7-91.2000110.9S91 L120 K121 Y128 A129 T130 T163S91-D178 WeakPolarHBondContact CB-OD1 3.39Å; S91-D178 WeakPolarHBondContact O-CA 3.44Å; S91-D178 PolarHBondContact OG-OD1 2.86Å; L120-D178 WeakPolarHBondContact CD1-O 3.28Å; K121-D178 HydrophobicContact CB-CB 4.04Å; K121-D178 PolarHBondContact N-O 3.38Å; Y128-D178 WeakPolarHBondContact CA-OD2 3.43Å; Y128-D178 HydrophobicContact CD1-CB 4.31Å; Y128-D178 HydrophobicContact CG-CB 4.35Å; A129-D178 PolarHBondContact N-OD2 3.38Å; T130-D178 PolarHBondContact OG1-N 2.98Å; T163-D178 WeakPolarHBondContact CB-OD1 3.49Å; T163-D178 PolarHBondContact OG1-OD1 2.6Å
179I98.6Very high97.6Very high0 Ų037.6 Ų37.60%023%0.234CC..EExtended strand (participates in β ladder)trans-147.5147.8-179.5-176152.8000111.1S91 A92 D93 P118 V119 L138 L204 F205S91-I179 PolarHBondContact O-N 3.38Å; A92-I179 CarbonylContact C-O 3.59Å; A92-I179 VanDerWaalsContact CA-O 3.28Å; A92-I179 WeakPolarHBondContact CA-O 3.43Å; D93-I179 PolarHBondContact N-O 3.03Å; D93-I179 CarbonylContact O-C 3.6Å; D93-I179 VanDerWaalsContact O-O 3.13Å; P118-I179 HydrophobicContact CB-CD1 3.71Å; P118-I179 HydrophobicContact CB-CG1 3.74Å; V119-I179 VanDerWaalsContact O-CA 3.3Å; V119-I179 WeakPolarHBondContact O-CA 3.43Å; L138-I179 HydrophobicContact CD1-CD1 3.94Å; L138-I179 HydrophobicContact CD1-CG2 4.49Å; L138-I179 HydrophobicContact CD2-CB 4.13Å; L138-I179 HydrophobicContact CD2-CD1 3.65Å; L138-I179 HydrophobicContact CD2-CG1 4.45Å; L138-I179 HydrophobicContact CG-CD1 4.14Å; I179-L204 HydrophobicContact CD1-CD2 3.41Å; I179-L204 VanDerWaalsContact CD1-CD2 3.41Å; I179-L204 HydrophobicContact CG1-CD2 4.29Å; I179-F205 HydrophobicContact CG2-CE1 4.29Å
180G98.3Very high97.7Very high2 Ų244.5 Ų44.52%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-179.3176.9162.100000113.4D93 V119D93-G180 WeakPolarHBondContact O-CA 3.41Å; D93-G180 PolarHBondContact O-N 3.25Å; V119-G180 WeakPolarHBondContact CA-O 3.41Å; V119-G180 VanDerWaalsContact CB-O 3.29Å; V119-G180 WeakPolarHBondContact CB-O 3.28Å; V119-G180 WeakPolarHBondContact CG2-O 3.4Å; V119-G180 PolarHBondContact N-O 2.84Å; V119-G180 PolarHBondContact O-N 2.91Å; V119-G180 VanDerWaalsContact O-N 3.12Å
181N98.3Very high97.8Very high3 Ų339.1 Ų39.12%0.01622%0.222CC..  trans-76.6143.9-170.8-73.112000111.8L14 S95 D197 L198 A201L14-N181 HydrophobicContact CD2-CB 3.87Å; S95-N181 PolarHBondContact N-O 3.15Å; N181-D197 HydrophobicContact CB-CB 4.39Å; N181-D197 WeakPolarHBondContact ND2-CB 3.44Å; N181-D197 PolarHBondContact ND2-O 3.46Å; N181-L198 PolarHBondContact ND2-N 2.76Å; N181-A201 WeakPolarHBondContact OD1-CB 3.46Å
182A98.3Very high97.9Very high0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-67.1133.1173.100000110.1S95 A97 P112 F114 V119S95-A182 CarbonylContact O-C 3.46Å; S95-A182 WeakPolarHBondContact O-CA 3.33Å; A97-A182 HydrophobicContact CB-CB 3.86Å; P112-A182 HydrophobicContact CB-CB 4.05Å; F114-A182 HydrophobicContact CD1-CB 4.4Å; F114-A182 WeakPolarHBondContact CE1-O 3.26Å; V119-A182 HydrophobicContact CG2-CB 3.92Å
183L97.9Very high97.9Very high2 Ų236.5 Ų36.51%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-136.8159.9173.373.980.5000111.7L10 D11 V94 S95 A97 M186 M192 A193L10-L183 HydrophobicContact CB-CD2 4.48Å; D11-L183 HydrophobicContact CB-CD2 4.48Å; V94-L183 HydrophobicContact CB-CD2 3.44Å; V94-L183 VanDerWaalsContact CB-CD2 3.44Å; V94-L183 HydrophobicContact CB-CG 4.23Å; V94-L183 HydrophobicContact CG1-CD2 3.59Å; V94-L183 HydrophobicContact CG2-CD2 3.64Å; S95-L183 PolarHBondContact O-N 3.22Å; A97-L183 PolarHBondContact N-O 3.33Å; L183-M186 VanDerWaalsContact CD1-CA 3.42Å; L183-M186 HydrophobicContact CD1-CB 3.52Å; L183-M186 HydrophobicContact CD1-CE 4Å; L183-M186 HydrophobicContact CD1-CG 4.01Å; L183-M186 VanDerWaalsContact CD1-N 3.33Å; L183-M186 HydrophobicContact CD2-CE 4.12Å; L183-M186 HydrophobicContact CG-CE 3.9Å; L183-M192 CarbonylContact C-O 3.28Å; L183-M192 VanDerWaalsContact CA-O 3.28Å; L183-M192 WeakPolarHBondContact CA-O 3.37Å; L183-M192 WeakPolarHBondContact CB-O 3.42Å; L183-A193 HydrophobicContact CB-CB 4.39Å
184L98.4Very high98Very high27 Ų2734 Ų3414%0.14119%0.186CC..EExtended strand (participates in β ladder)trans-109.6152.7168.2-68.4176.1000110.5A97 H99 F114 M192A97-L184 HydrophobicContact CB-CD2 3.86Å; A97-L184 HydrophobicContact CB-CG 4.02Å; H99-L184 HydrophobicContact CB-CD2 3.98Å; F114-L184 HydrophobicContact CE2-CD1 3.82Å; F114-L184 HydrophobicContact CE2-CG 4.12Å; F114-L184 HydrophobicContact CZ-CB 4.23Å; F114-L184 HydrophobicContact CZ-CD1 3.88Å; F114-L184 HydrophobicContact CZ-CG 3.65Å; L184-M192 HydrophobicContact CB-CB 4.32Å; L184-M192 HydrophobicContact CD1-SD 4.27Å; L184-M192 PolarHBondContact N-O 2.79Å; L184-M192 PolarHBondContact O-N 2.9Å
185A98.1Very high98Very high54 Ų5436 Ų3645%0.44620%0.199SC..SBendtrans61.242-179.900000113.9H187 S188 E191A185-H187 PolarHBondContact O-N 3.15Å; A185-S188 WeakPolarHBondContact O-CB 3.49Å; A185-S188 PolarHBondContact O-N 2.85Å; A185-E191 WeakPolarHBondContact O-CG 3.41Å
186M98.2Very high98.1Very high43 Ų4334 Ų3421%0.21220%0.195CC..THydrogen-bonded Turntrans-49.1135.2173.8-160.1172.9-78.800111.3D11 V94 H96 L183 S188 E191D11-M186 HydrophobicContact CB-CG 4.37Å; D11-M186 WeakPolarHBondContact OD2-CG 3.47Å; V94-M186 HydrophobicContact CB-CE 4.01Å; V94-M186 HydrophobicContact CG2-CE 3.56Å; V94-M186 HydrophobicContact CG2-SD 4.35Å; H96-M186 PolarHBondContact CE1-SD 3.5Å; L183-M186 VanDerWaalsContact CD1-CA 3.42Å; L183-M186 HydrophobicContact CD1-CB 3.52Å; L183-M186 HydrophobicContact CD1-CE 4Å; L183-M186 HydrophobicContact CD1-CG 4.01Å; L183-M186 VanDerWaalsContact CD1-N 3.33Å; L183-M186 HydrophobicContact CD2-CE 4.12Å; L183-M186 HydrophobicContact CG-CE 3.9Å; M186-S188 PolarHBondContact O-N 2.9Å; M186-E191 WeakPolarHBondContact CA-OE1 3.4Å
187H98.1Very high98.1Very high131 Ų13133.9 Ų33.961%0.60619%0.194SC*.THydrogen-bonded Turntrans68.88.8-174.2-51.7-179000115.3D11 E49 A185 E191D11-H187 IonicContact OD2-CD2 2.78Å; D11-H187 PolarHBondContact OD2-CD2 3.17Å; D11-H187 VanDerWaalsContact OD2-CD2 3.26Å; D11-H187 IonicContact OD2-NE2 3.73Å; D11-H187 PolarHBondContact OD2-NE2 3.2Å; E49-H187 IonicContact OE1-CD2 3.26Å; E49-H187 IonicContact OE1-NE2 3.46Å; E49-H187 IonicContact OE2-CE1 2.87Å; E49-H187 IonicContact OE2-NE2 3.63Å; A185-H187 PolarHBondContact O-N 3.15Å; H187-E191 PolarHBondContact N-OE1 3.33Å
188S98.6Very high98.1Very high53 Ų5335.9 Ų35.937%0.37120%0.204SC..SBendtrans-74.5152.6170.8177.70000111.1A185 M186 R190 E191A185-S188 WeakPolarHBondContact O-CB 3.49Å; A185-S188 PolarHBondContact O-N 2.85Å; M186-S188 PolarHBondContact O-N 2.9Å; S188-R190 WeakPolarHBondContact CB-O 3.35Å; S188-R190 PolarHBondContact O-N 3.05Å; S188-R190 VanDerWaalsContact O-N 3.12Å; S188-R190 PolarHBondContact OG-N 2.91Å; S188-R190 PolarHBondContact OG-O 2.73Å; S188-E191 WeakPolarHBondContact O-CG 3.28Å
189A98.1Very high98Very high93 Ų9339.9 Ų39.977%0.76923%0.225SC*.SBendtrans-60.7-18.6166.200000112.6A8A8-A189 WeakPolarHBondContact CA-O 3.02Å; A8-A189 VanDerWaalsContact CB-O 3.29Å; A8-A189 WeakPolarHBondContact CB-O 3.43Å
190R98.3Very high98Very high170 Ų17041.9 Ų41.964%0.64223%0.234SC*.SBendtrans-142.3109.1173.8-168.7174.7-173.2144.22.4110.2G7 S188G7-R190 WeakPolarHBondContact O-CA 3.22Å; S188-R190 WeakPolarHBondContact CB-O 3.35Å; S188-R190 PolarHBondContact O-N 3.05Å; S188-R190 VanDerWaalsContact O-N 3.12Å; S188-R190 PolarHBondContact OG-N 2.91Å; S188-R190 PolarHBondContact OG-O 2.73Å
191E98.6Very high98Very high4 Ų441.9 Ų41.92%0.01923%0.234CC..EExtended strand (participates in β ladder)trans-101.4168-178.2-50.3-177.2116.700110.1F6 G7 L10 D11 A185 M186 H187 S188F6-E191 WeakPolarHBondContact CA-O 3.02Å; G7-E191 PolarHBondContact N-O 2.93Å; G7-E191 PolarHBondContact O-N 3.14Å; L10-E191 VanDerWaalsContact CA-OE2 3.26Å; L10-E191 WeakPolarHBondContact CA-OE2 3.47Å; L10-E191 HydrophobicContact CB-CB 4.21Å; L10-E191 VanDerWaalsContact CB-OE2 3.22Å; L10-E191 WeakPolarHBondContact CB-OE2 3.28Å; L10-E191 HydrophobicContact CD1-CB 3.83Å; L10-E191 HydrophobicContact CG-CB 4.04Å; L10-E191 PolarHBondContact N-OE2 2.61Å; D11-E191 WeakPolarHBondContact CB-OE1 3.05Å; D11-E191 PolarHBondContact N-OE2 2.84Å; A185-E191 WeakPolarHBondContact O-CG 3.41Å; M186-E191 WeakPolarHBondContact CA-OE1 3.4Å; H187-E191 PolarHBondContact N-OE1 3.33Å; S188-E191 WeakPolarHBondContact O-CG 3.28Å
192M98.3Very high97.9Very high39 Ų3943 Ų4319%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-133.3126.6-178.3178.1-176.2-176.700111.1F4 V5 F6 F114 L183 L184F4-M192 HydrophobicContact CB-CE 3.96Å; F4-M192 HydrophobicContact CD1-CE 3.41Å; F4-M192 VanDerWaalsContact CD1-CE 3.41Å; F4-M192 HydrophobicContact CD2-CE 3.49Å; F4-M192 VanDerWaalsContact CD2-CE 3.49Å; F4-M192 HydrophobicContact CE1-CE 3.69Å; F4-M192 HydrophobicContact CE2-CE 3.75Å; F4-M192 HydrophobicContact CG-CE 3.31Å; F4-M192 HydrophobicContact CZ-CE 3.85Å; V5-M192 WeakPolarHBondContact O-CA 3.32Å; F6-M192 HydrophobicContact CD1-CB 3.91Å; F6-M192 HydrophobicContact CD1-CG 3.92Å; F6-M192 HydrophobicContact CE1-CB 3.86Å; F6-M192 HydrophobicContact CE1-CE 4.04Å; F6-M192 HydrophobicContact CE1-CG 3.46Å; F6-M192 VanDerWaalsContact CE1-CG 3.46Å; F6-M192 HydrophobicContact CE1-SD 3.56Å; F6-M192 VanDerWaalsContact CE1-SD 3.56Å; F6-M192 HydrophobicContact CZ-CE 3.95Å; F6-M192 HydrophobicContact CZ-CG 4.2Å; F6-M192 HydrophobicContact CZ-SD 4.1Å; F114-M192 HydrophobicContact CE2-CE 3.93Å; F114-M192 HydrophobicContact CE2-CG 4.27Å; F114-M192 HydrophobicContact CE2-SD 4.17Å; F114-M192 HydrophobicContact CZ-CG 4.24Å; L183-M192 CarbonylContact C-O 3.28Å; L183-M192 VanDerWaalsContact CA-O 3.28Å; L183-M192 WeakPolarHBondContact CA-O 3.37Å; L183-M192 WeakPolarHBondContact CB-O 3.42Å; L184-M192 HydrophobicContact CB-CB 4.32Å; L184-M192 HydrophobicContact CD1-SD 4.27Å; L184-M192 PolarHBondContact N-O 2.79Å; L184-M192 PolarHBondContact O-N 2.9Å
193A98.1Very high97.9Very high1 Ų148.3 Ų48.31%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-133.8172175.400000111.6F4 V5 L10 L14 L183F4-A193 CarbonylContact C-O 3.36Å; F4-A193 VanDerWaalsContact CA-O 3.28Å; F4-A193 WeakPolarHBondContact CA-O 3.44Å; V5-A193 PolarHBondContact N-O 2.92Å; V5-A193 PolarHBondContact O-N 3.47Å; L10-A193 HydrophobicContact CD1-CB 3.81Å; L14-A193 HydrophobicContact CD1-CB 3.74Å; L183-A193 HydrophobicContact CB-CB 4.39Å
194S97.4Very high97.8Very high1 Ų148.2 Ų48.21%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-93.8133.8178.11510000111.6H115 A196 D197 L198H115-S194 PolarHBondContact CE1-OG 3.03Å; H115-S194 PolarHBondContact N-OG 3.29Å; H115-S194 PolarHBondContact ND1-OG 2.9Å; S194-A196 PolarHBondContact OG-N 3.06Å; S194-D197 WeakPolarHBondContact CB-OD2 3.47Å; S194-D197 PolarHBondContact O-N 3.12Å; S194-D197 VanDerWaalsContact OG-CG 3.29Å; S194-D197 PolarHBondContact OG-N 3.43Å; S194-D197 PolarHBondContact OG-OD2 3.4Å; S194-L198 WeakPolarHBondContact O-CD1 3.45Å
195T96.9Very high97.7Very high57 Ų5747.6 Ų47.635%0.3526%0.255SS..Hα-helixtrans-64.3-39.3176.251.70000112.4E2 D3 V5 D197 L198E2-T195 WeakPolarHBondContact O-CG2 3.26Å; E2-T195 PolarHBondContact O-OG1 3.23Å; D3-T195 PolarHBondContact O-N 3.43Å; D3-T195 PolarHBondContact O-OG1 2.85Å; D3-T195 VanDerWaalsContact O-OG1 3.05Å; V5-T195 HydrophobicContact CG2-CG2 3.63Å; T195-D197 VanDerWaalsContact C-N 3.3Å; T195-D197 PolarHBondContact O-N 2.89Å; T195-L198 PolarHBondContact O-N 2.72Å
196A97.1Very high97.6Very high32 Ų3247.7 Ų47.726%0.26425%0.245SC..Hα-helixtrans-61.2-39178.100000112.1H115 S194 L198 L199 F200H115-A196 HydrophobicContact CB-CB 4.19Å; S194-A196 PolarHBondContact OG-N 3.06Å; A196-L198 VanDerWaalsContact C-N 3.3Å; A196-L198 PolarHBondContact O-N 2.88Å; A196-L199 PolarHBondContact O-N 2.79Å; A196-F200 HydrophobicContact CB-CE2 4.24Å; A196-F200 VanDerWaalsContact O-CD2 3.3Å; A196-F200 WeakPolarHBondContact O-CD2 3.26Å; A196-F200 PolarHBondContact O-N 3.44Å; A196-F200 VanDerWaalsContact O-N 3.11Å
197D97.8Very high97.4Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-69.5-29.5-177.5-62.5-33.3000111.7H115 H116 G117 N181 S194 T195 L199 F200 A201H115-D197 VanDerWaalsContact CA-OD1 3.29Å; H115-D197 WeakPolarHBondContact CA-OD1 3.32Å; H115-D197 PolarHBondContact N-OD1 2.83Å; H115-D197 PolarHBondContact N-OD2 3.37Å; H116-D197 PolarHBondContact N-OD1 3.35Å; G117-D197 WeakPolarHBondContact CA-OD1 3.35Å; G117-D197 PolarHBondContact N-OD1 2.97Å; N181-D197 HydrophobicContact CB-CB 4.39Å; N181-D197 WeakPolarHBondContact ND2-CB 3.44Å; N181-D197 PolarHBondContact ND2-O 3.46Å; S194-D197 WeakPolarHBondContact CB-OD2 3.47Å; S194-D197 PolarHBondContact O-N 3.12Å; S194-D197 VanDerWaalsContact OG-CG 3.29Å; S194-D197 PolarHBondContact OG-N 3.43Å; S194-D197 PolarHBondContact OG-OD2 3.4Å; T195-D197 VanDerWaalsContact C-N 3.3Å; T195-D197 PolarHBondContact O-N 2.89Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.26Å; D197-F200 PolarHBondContact O-N 3.11Å; D197-A201 WeakPolarHBondContact O-CB 3.29Å; D197-A201 PolarHBondContact O-N 3.2Å
198L97.3Very high97.1Very high41 Ų4140.6 Ų40.622%0.21521%0.213CC..Hα-helixtrans-60.6-44173-85.174.4000111.2V5 L14 T18 N181 S194 T195 A196 A201 H202V5-L198 HydrophobicContact CG2-CD1 4.32Å; V5-L198 HydrophobicContact CG2-CD2 4.49Å; L14-L198 HydrophobicContact CD1-CD1 3.71Å; L14-L198 HydrophobicContact CD1-CG 4.27Å; L14-L198 HydrophobicContact CD2-CD1 4.49Å; L14-L198 HydrophobicContact CD2-CG 4.42Å; L14-L198 HydrophobicContact CG-CD1 4.13Å; L14-L198 HydrophobicContact CG-CG 4.13Å; T18-L198 HydrophobicContact CG2-CB 4.34Å; T18-L198 HydrophobicContact CG2-CG 4.38Å; T18-L198 WeakPolarHBondContact CG2-O 3.46Å; N181-L198 PolarHBondContact ND2-N 2.76Å; S194-L198 WeakPolarHBondContact O-CD1 3.45Å; T195-L198 PolarHBondContact O-N 2.72Å; A196-L198 VanDerWaalsContact C-N 3.3Å; A196-L198 PolarHBondContact O-N 2.88Å; L198-A201 PolarHBondContact O-N 3.2Å; L198-H202 WeakPolarHBondContact O-CB 3.23Å; L198-H202 PolarHBondContact O-N 3.04Å
199L97.2Very high96.4Very high85 Ų8539.8 Ų39.845%0.44521%0.205SC..Hα-helixtrans-65.6-40.6178-17962.7000111.3A196 D197 R203A196-L199 PolarHBondContact O-N 2.79Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-L199 PolarHBondContact O-N 3.26Å; L199-R203 WeakPolarHBondContact O-CG 3.39Å; L199-R203 PolarHBondContact O-N 3.2Å
200F98.2Very high95.5Very high42 Ų4235.5 Ų35.518%0.18417%0.169CC..Hα-helixtrans-62.5-45.2175.6-67.9-41.3000112.1P118 V147 P148 A196 D197 R203 L204P118-F200 HydrophobicContact CG-CB 4.27Å; V147-F200 HydrophobicContact CG1-CB 3.85Å; V147-F200 HydrophobicContact CG1-CG 4.39Å; V147-F200 HydrophobicContact CG2-CB 4.44Å; V147-F200 HydrophobicContact CG2-CD1 4.34Å; P148-F200 HydrophobicContact CG-CD2 4.33Å; P148-F200 HydrophobicContact CG-CE1 4.37Å; P148-F200 HydrophobicContact CG-CE2 4.07Å; P148-F200 HydrophobicContact CG-CZ 4.1Å; A196-F200 HydrophobicContact CB-CE2 4.24Å; A196-F200 VanDerWaalsContact O-CD2 3.3Å; A196-F200 WeakPolarHBondContact O-CD2 3.26Å; A196-F200 PolarHBondContact O-N 3.44Å; A196-F200 VanDerWaalsContact O-N 3.11Å; D197-F200 PolarHBondContact O-N 3.11Å; F200-R203 PolarHBondContact O-N 3.01Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.78Å
201A97.9Very high94.3Very high1 Ų130.7 Ų30.71%0.00815%0.153CC..Hα-helixtrans-63.2-46.3178.200000111.9T18 P118 N181 D197 L198 R203 L204 F205T18-A201 HydrophobicContact CG2-CB 4.12Å; P118-A201 HydrophobicContact CG-CB 4.23Å; N181-A201 WeakPolarHBondContact OD1-CB 3.46Å; D197-A201 WeakPolarHBondContact O-CB 3.29Å; D197-A201 PolarHBondContact O-N 3.2Å; L198-A201 PolarHBondContact O-N 3.2Å; A201-R203 VanDerWaalsContact C-N 3.35Å; A201-R203 PolarHBondContact O-N 3.25Å; A201-L204 WeakPolarHBondContact O-CB 3.22Å; A201-L204 PolarHBondContact O-N 3.42Å; A201-F205 HydrophobicContact CB-CD2 4.43Å; A201-F205 HydrophobicContact CB-CE2 4.04Å; A201-F205 WeakPolarHBondContact O-CD2 3.45Å; A201-F205 WeakPolarHBondContact O-CG 3.5Å; A201-F205 PolarHBondContact O-N 3.29Å
202H97.6Very high92.8Very high26 Ų2632 Ų3212%0.1216%0.159CC..Hα-helixtrans-55.4-48.8175.8169.891.8000111.7T21 G22 E25 L198 L204 F205 K206T21-H202 PolarHBondContact OG1-ND1 2.89Å; G22-H202 PolarHBondContact N-ND1 2.59Å; E25-H202 VanDerWaalsContact CD-CE1 3.49Å; E25-H202 VanDerWaalsContact CD-NE2 3.32Å; E25-H202 IonicContact OE1-CE1 2.9Å; E25-H202 PolarHBondContact OE1-CE1 3.07Å; E25-H202 VanDerWaalsContact OE1-CE1 3.26Å; E25-H202 IonicContact OE1-NE2 3.75Å; E25-H202 PolarHBondContact OE1-NE2 3.18Å; E25-H202 IonicContact OE2-NE2 2.79Å; E25-H202 PolarHBondContact OE2-NE2 2.83Å; L198-H202 WeakPolarHBondContact O-CB 3.23Å; L198-H202 PolarHBondContact O-N 3.04Å; H202-L204 PolarHBondContact O-N 2.78Å; H202-F205 PolarHBondContact O-N 3.29Å; H202-K206 WeakPolarHBondContact O-CB 3.25Å; H202-K206 PolarHBondContact O-N 3.07Å
203R97.1Very high91.3Very high112 Ų11231.6 Ų31.642%0.42316%0.157SC..Hα-helixtrans-61.8-43.4178-75179.2-177.3175.51.8112.1V147 L199 F200 A201 K206 V207V147-R203 HydrophobicContact CG2-CB 3.93Å; L199-R203 WeakPolarHBondContact O-CG 3.39Å; L199-R203 PolarHBondContact O-N 3.2Å; F200-R203 PolarHBondContact O-N 3.01Å; A201-R203 VanDerWaalsContact C-N 3.35Å; A201-R203 PolarHBondContact O-N 3.25Å; R203-K206 PolarHBondContact O-N 2.92Å; R203-V207 WeakPolarHBondContact O-CG2 2.84Å; R203-V207 PolarHBondContact O-N 3.16Å
204L97.5Very high89.8Confident0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-58.1-50.3177.5-177.278000111P118 L138 I141 A142 I179 F200 A201 H202 V207 A208P118-L204 HydrophobicContact CB-CD2 4.44Å; P118-L204 HydrophobicContact CG-CD2 4.32Å; L138-L204 HydrophobicContact CD1-CD2 4.41Å; I141-L204 HydrophobicContact CG2-CD1 3.93Å; A142-L204 HydrophobicContact CB-CD1 3.71Å; I179-L204 HydrophobicContact CD1-CD2 3.41Å; I179-L204 VanDerWaalsContact CD1-CD2 3.41Å; I179-L204 HydrophobicContact CG1-CD2 4.29Å; F200-L204 WeakPolarHBondContact O-CB 3.35Å; F200-L204 PolarHBondContact O-N 2.78Å; A201-L204 WeakPolarHBondContact O-CB 3.22Å; A201-L204 PolarHBondContact O-N 3.42Å; H202-L204 PolarHBondContact O-N 2.78Å; L204-V207 PolarHBondContact O-N 3.19Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.8Å
205F96.3Very high88.2Confident15 Ų1540 Ų407%0.06619%0.192CC..Hα-helixtrans-67.1-38.8-178.2-65.2-51.4000112.8L90 A92 I179 A201 H202 V207 A208 L209L90-F205 HydrophobicContact CD1-CD1 4.31Å; L90-F205 HydrophobicContact CD1-CE1 4.49Å; A92-F205 HydrophobicContact CB-CE1 3.87Å; A92-F205 HydrophobicContact CB-CE2 4.41Å; A92-F205 HydrophobicContact CB-CZ 3.52Å; I179-F205 HydrophobicContact CG2-CE1 4.29Å; A201-F205 HydrophobicContact CB-CD2 4.43Å; A201-F205 HydrophobicContact CB-CE2 4.04Å; A201-F205 WeakPolarHBondContact O-CD2 3.45Å; A201-F205 WeakPolarHBondContact O-CG 3.5Å; A201-F205 PolarHBondContact O-N 3.29Å; H202-F205 PolarHBondContact O-N 3.29Å; F205-V207 VanDerWaalsContact C-N 3.34Å; F205-V207 PolarHBondContact O-N 3.35Å; F205-A208 PolarHBondContact O-N 2.72Å; F205-L209 WeakPolarHBondContact O-CG 3.34Å; F205-L209 PolarHBondContact O-N 3.27Å
206K95Very high86.9Confident56 Ų5639 Ų3924%0.24318%0.182CC..Hα-helixtrans-56.9-47.5173177.4-178.7-180168.30112E25 M29 H202 R203 S210E25-K206 HydrophobicContact CB-CD 3.99Å; E25-K206 HydrophobicContact CB-CG 4.27Å; E25-K206 WeakPolarHBondContact OE2-CD 3.34Å; E25-K206 WeakPolarHBondContact OE2-CE 3.46Å; E25-K206 IonicContact OE2-NZ 2.72Å; E25-K206 PolarHBondContact OE2-NZ 3.02Å; M29-K206 HydrophobicContact CE-CD 4.24Å; M29-K206 HydrophobicContact CE-CG 3.89Å; H202-K206 WeakPolarHBondContact O-CB 3.25Å; H202-K206 PolarHBondContact O-N 3.07Å; R203-K206 PolarHBondContact O-N 2.92Å; K206-S210 PolarHBondContact O-N 3.48Å; K206-S210 PolarHBondContact O-OG 3.18Å
207V93.1Very high85.2Confident22 Ų2242 Ų4213%0.13319%0.187CC..Hα-helixtrans-73.5-38.9-178.2170.80000111.3I141 L144 A145 R203 L204 F205 L209 S210 F211I141-V207 HydrophobicContact CG2-CG1 4.48Å; L144-V207 HydrophobicContact CB-CG1 4.02Å; A145-V207 HydrophobicContact CB-CB 3.8Å; A145-V207 HydrophobicContact CB-CG1 3.93Å; A145-V207 HydrophobicContact CB-CG2 3.85Å; R203-V207 WeakPolarHBondContact O-CG2 2.84Å; R203-V207 PolarHBondContact O-N 3.16Å; L204-V207 PolarHBondContact O-N 3.19Å; F205-V207 VanDerWaalsContact C-N 3.34Å; F205-V207 PolarHBondContact O-N 3.35Å; V207-L209 VanDerWaalsContact C-N 3.25Å; V207-L209 PolarHBondContact O-N 3.32Å; V207-S210 PolarHBondContact O-N 2.88Å; V207-F211 HydrophobicContact CB-CD2 4.39Å; V207-F211 HydrophobicContact CG1-CD2 3.63Å; V207-F211 HydrophobicContact CG1-CE2 4.16Å; V207-F211 HydrophobicContact CG1-CG 4.48Å; V207-F211 WeakPolarHBondContact O-CD2 3.33Å; V207-F211 PolarHBondContact O-N 3.36Å
208A92.1Very high83.1Confident2 Ų243.9 Ų43.92%0.01720%0.2CC..Hα-helixtrans-50.9-48.6175.500000111.1L90 I141 L204 F205 S210 I212L90-A208 HydrophobicContact CD1-CB 3.53Å; I141-A208 HydrophobicContact CD1-CB 4.26Å; I141-A208 HydrophobicContact CG2-CB 3.76Å; L204-A208 WeakPolarHBondContact O-CB 3.49Å; L204-A208 PolarHBondContact O-N 2.8Å; F205-A208 PolarHBondContact O-N 2.72Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 3.17Å; A208-I212 WeakPolarHBondContact O-CD1 3.41Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å
209L84.5Confident80.7Confident37 Ų3749.1 Ų49.119%0.19423%0.228CC..Hα-helixtrans-71.4-26.6-177.8-65.6165000113.3F23 A26 M40 F205 V207F23-L209 VanDerWaalsContact CA-CD1 3.48Å; F23-L209 HydrophobicContact CB-CD1 3.72Å; F23-L209 HydrophobicContact CD2-CD1 3.64Å; F23-L209 HydrophobicContact CD2-CD2 4.49Å; F23-L209 HydrophobicContact CG-CD1 4.14Å; A26-L209 HydrophobicContact CB-CB 3.85Å; A26-L209 HydrophobicContact CB-CD1 4.16Å; M40-L209 HydrophobicContact CB-CD2 4.25Å; M40-L209 HydrophobicContact CG-CB 4.26Å; M40-L209 HydrophobicContact CG-CD2 4.29Å; M40-L209 HydrophobicContact SD-CB 4Å; F205-L209 WeakPolarHBondContact O-CG 3.34Å; F205-L209 PolarHBondContact O-N 3.27Å; V207-L209 VanDerWaalsContact C-N 3.25Å; V207-L209 PolarHBondContact O-N 3.32Å
210S78.7Confident78.2Confident3 Ų348.5 Ų48.52%0.02123%0.231CC..Hα-helixtrans-85.8-22-174.1-54.80000114.3K206 V207 A208K206-S210 PolarHBondContact O-N 3.48Å; K206-S210 PolarHBondContact O-OG 3.18Å; V207-S210 PolarHBondContact O-N 2.88Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 3.17Å
211F72.7Confident75.6Confident68 Ų6850.5 Ų50.530%0.29824%0.242SC..Hα-helixtrans-122.7-6.1-164.7-74.4-80.9000116L144 V207 H213 K214 Y215L144-F211 HydrophobicContact CD1-CB 4.43Å; V207-F211 HydrophobicContact CB-CD2 4.39Å; V207-F211 HydrophobicContact CG1-CD2 3.63Å; V207-F211 HydrophobicContact CG1-CE2 4.16Å; V207-F211 HydrophobicContact CG1-CG 4.48Å; V207-F211 WeakPolarHBondContact O-CD2 3.33Å; V207-F211 PolarHBondContact O-N 3.36Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.95Å; F211-K214 HydrophobicContact CD1-CD 4.33Å; F211-K214 PolarHBondContact O-N 3.45Å; F211-Y215 HydrophobicContact CB-CD2 4.21Å; F211-Y215 HydrophobicContact CB-CE2 4.21Å; F211-Y215 AromaticContact CD1-CE2 3.82Å; F211-Y215 HydrophobicContact CD1-CE2 3.82Å; F211-Y215 HydrophobicContact CG-CE2 4.39Å; F211-Y215 WeakPolarHBondContact O-CD2 3.33Å
212I68.4Low72.8Confident31 Ų3159.9 Ų59.916%0.15928%0.283CS..Hα-helixtrans-53.8-46.8-178.5-82.1172.7000112.4F88 I141 A208 K214 W216F88-I212 HydrophobicContact CD1-CD1 4.29Å; I141-I212 HydrophobicContact CD1-CG1 4.44Å; A208-I212 WeakPolarHBondContact O-CD1 3.41Å; A208-I212 WeakPolarHBondContact O-CG1 3.48Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 2.98Å; I212-W216 HydrophobicContact CB-CE3 4.2Å; I212-W216 HydrophobicContact CB-CH2 4.24Å; I212-W216 HydrophobicContact CB-CZ3 3.85Å; I212-W216 HydrophobicContact CD1-CH2 3.65Å; I212-W216 HydrophobicContact CD1-CZ3 3.76Å; I212-W216 HydrophobicContact CG1-CE3 4.21Å; I212-W216 HydrophobicContact CG1-CH2 3.36Å; I212-W216 HydrophobicContact CG1-CZ2 4.04Å; I212-W216 HydrophobicContact CG1-CZ3 3.45Å; I212-W216 VanDerWaalsContact CG1-CZ3 3.45Å; I212-W216 HydrophobicContact CG2-CD2 4.36Å; I212-W216 HydrophobicContact CG2-CE3 3.44Å; I212-W216 VanDerWaalsContact CG2-CE3 3.44Å; I212-W216 HydrophobicContact CG2-CH2 4.13Å; I212-W216 HydrophobicContact CG2-CZ3 3.26Å; I212-W216 PolarHBondContact O-N 3.27Å
213H66.7Low69.7Low31 Ų3166.8 Ų66.814%0.14433%0.327CS..Hα-helixtrans-64.3-33.4-17875-92.5000113.8D38 F211 Y215 Y217D38-H213 WeakPolarHBondContact OD2-CA 3.34Å; D38-H213 WeakPolarHBondContact OD2-CB 3.33Å; D38-H213 PolarHBondContact OD2-N 3.04Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.95Å; H213-Y215 PolarHBondContact O-N 2.89Å; H213-Y217 HydrophobicContact CB-CD2 4.41Å; H213-Y217 HydrophobicContact CB-CE2 4.42Å; H213-Y217 WeakPolarHBondContact O-CD2 2.95Å
214K66.4Low68.4Low104 Ų10464.5 Ų64.545%0.45232%0.322SS..Hα-helixtrans-73.8-29.8-171.7-66.7-168.5177.8176.10113.2F211 I212 S218F211-K214 HydrophobicContact CD1-CD 4.33Å; F211-K214 PolarHBondContact O-N 3.45Å; I212-K214 VanDerWaalsContact C-N 3.33Å; I212-K214 PolarHBondContact O-N 2.98Å; K214-S218 PolarHBondContact O-OG 3.13Å
215Y64.4Low66.8Low75 Ų7567.9 Ų67.929%0.29434%0.339SS..Hα-helixtrans-108-26.3-168.8-70.7-75000114.2L144 F211 H213L144-Y215 HydrophobicContact CD1-CD2 3.64Å; L144-Y215 HydrophobicContact CD1-CE2 3.33Å; L144-Y215 HydrophobicContact CD1-CG 4.42Å; L144-Y215 HydrophobicContact CD2-CE2 4.01Å; L144-Y215 WeakPolarHBondContact CD2-OH 3.36Å; L144-Y215 HydrophobicContact CG-CE2 4.33Å; F211-Y215 HydrophobicContact CB-CD2 4.21Å; F211-Y215 HydrophobicContact CB-CE2 4.21Å; F211-Y215 AromaticContact CD1-CE2 3.82Å; F211-Y215 HydrophobicContact CD1-CE2 3.82Å; F211-Y215 HydrophobicContact CG-CE2 4.39Å; F211-Y215 WeakPolarHBondContact O-CD2 3.33Å; H213-Y215 PolarHBondContact O-N 2.89Å
216W68.8Low65.2Low36 Ų3670.8 Ų70.814%0.13635%0.354CS..Hα-helixtrans-92.7-17.6-175.8-63.8-16.3000114.3F88 K137 I141 I212F88-W216 HydrophobicContact CB-CE3 4.26Å; F88-W216 HydrophobicContact CB-CH2 3.55Å; F88-W216 HydrophobicContact CB-CZ3 3.2Å; F88-W216 AromaticContact CD1-CH2 3.23Å; F88-W216 HydrophobicContact CD1-CH2 3.23Å; F88-W216 HydrophobicContact CD1-CZ2 4.21Å; F88-W216 AromaticContact CD1-CZ3 3.88Å; F88-W216 HydrophobicContact CD1-CZ3 3.88Å; F88-W216 HydrophobicContact CD2-CH2 4.03Å; F88-W216 HydrophobicContact CD2-CZ3 4.36Å; F88-W216 AromaticContact CE1-CH2 3.76Å; F88-W216 HydrophobicContact CE1-CH2 3.76Å; F88-W216 HydrophobicContact CE1-CZ2 4.34Å; F88-W216 AromaticContact CG-CH2 3.34Å; F88-W216 HydrophobicContact CG-CH2 3.34Å; F88-W216 HydrophobicContact CG-CZ2 4.37Å; F88-W216 AromaticContact CG-CZ3 3.59Å; F88-W216 HydrophobicContact CG-CZ3 3.59Å; F88-W216 HydrophobicContact CZ-CH2 4.39Å; K137-W216 HydrophobicContact CB-CZ2 3.64Å; K137-W216 HydrophobicContact CD-CD2 4.18Å; K137-W216 HydrophobicContact CD-CH2 4.23Å; K137-W216 HydrophobicContact CD-CZ2 3.78Å; K137-W216 HydrophobicContact CG-CZ2 3.82Å; I141-W216 HydrophobicContact CD1-CH2 4.15Å; I141-W216 HydrophobicContact CD1-CZ2 3.91Å; I141-W216 HydrophobicContact CG1-CZ2 4.48Å; I212-W216 HydrophobicContact CB-CE3 4.2Å; I212-W216 HydrophobicContact CB-CH2 4.24Å; I212-W216 HydrophobicContact CB-CZ3 3.85Å; I212-W216 HydrophobicContact CD1-CH2 3.65Å; I212-W216 HydrophobicContact CD1-CZ3 3.76Å; I212-W216 HydrophobicContact CG1-CE3 4.21Å; I212-W216 HydrophobicContact CG1-CH2 3.36Å; I212-W216 HydrophobicContact CG1-CZ2 4.04Å; I212-W216 HydrophobicContact CG1-CZ3 3.45Å; I212-W216 VanDerWaalsContact CG1-CZ3 3.45Å; I212-W216 HydrophobicContact CG2-CD2 4.36Å; I212-W216 HydrophobicContact CG2-CE3 3.44Å; I212-W216 VanDerWaalsContact CG2-CE3 3.44Å; I212-W216 HydrophobicContact CG2-CH2 4.13Å; I212-W216 HydrophobicContact CG2-CZ3 3.26Å; I212-W216 PolarHBondContact O-N 3.27Å
217Y61.6Low63.4Low95 Ų9571.7 Ų71.737%0.37336%0.361SS..SBendtrans-108.6-4.5177-49.7-62.3000113.4K86 H213K86-Y217 HydrophobicContact CB-CE1 4.05Å; K86-Y217 VanDerWaalsContact CB-OH 3.3Å; K86-Y217 WeakPolarHBondContact CB-OH 3.32Å; K86-Y217 HydrophobicContact CD-CE1 4.15Å; K86-Y217 HydrophobicContact CG-CE1 3.92Å; K86-Y217 PolarHBondContact O-OH 2.77Å; H213-Y217 HydrophobicContact CB-CD2 4.41Å; H213-Y217 HydrophobicContact CB-CE2 4.42Å; H213-Y217 WeakPolarHBondContact O-CD2 2.95Å
218S53.7Low61.6Low39 Ų3974.8 Ų74.827%0.27338%0.375SS..SBendtrans-80.3126.5169.365.70000109.2K214 S220 M221K214-S218 PolarHBondContact O-OG 3.13Å; S218-S220 WeakPolarHBondContact CB-OG 3.05Å; S218-S220 PolarHBondContact O-N 3.07Å; S218-S220 PolarHBondContact OG-OG 2.98Å; S218-M221 PolarHBondContact O-N 3.07Å
219D46.3Very low59.5Low151 Ų15179.7 Ų79.781%0.80740%0.399SS*.G310 helixtrans-54.3-16.1175.3-70.6-38.6000113.5M221D219-M221 PolarHBondContact O-N 3.19Å; D219-M221 VanDerWaalsContact O-N 3.12Å
220S46.2Very low57.8Low73 Ų7382.7 Ų82.751%0.5141%0.414SS..G310 helixtrans-69.1-1.2178.760.60000115.5S218 F222 T223S218-S220 WeakPolarHBondContact CB-OG 3.05Å; S218-S220 PolarHBondContact O-N 3.07Å; S218-S220 PolarHBondContact OG-OG 2.98Å; S220-F222 VanDerWaalsContact C-N 3.27Å; S220-F222 PolarHBondContact O-N 3.03Å; S220-T223 WeakPolarHBondContact CA-OG1 3.41Å; S220-T223 PolarHBondContact O-OG1 2.75Å
221M41.8Very low56.2Low83 Ų8388.8 Ų88.841%0.40944%0.444SS..G310 helixtrans-76.7-14.9177.8-157.3176.5-176.800113.1S218 D219S218-M221 PolarHBondContact O-N 3.07Å; D219-M221 PolarHBondContact O-N 3.19Å; D219-M221 VanDerWaalsContact O-N 3.12Å
222F41Very low54.8Low199 Ų19990.6 Ų90.687%0.87346%0.456SS*.G310 helixtrans-114.610.3-179.6-61.6-71.7000114.3S220S220-F222 VanDerWaalsContact C-N 3.27Å; S220-F222 PolarHBondContact O-N 3.03Å
223T32.1Very low53.5Low170 Ų17096 Ų96100%1.04348%0.483SS*.  trans-113.40175.855.40000110.6S220S220-T223 WeakPolarHBondContact CA-OG1 3.41Å; S220-T223 PolarHBondContact O-OG1 2.75Å

Retrieved 223 of 223 residues in 134.4 ms (Link to these results)

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