A0AA82MX87_SCHMA Loading...

Metallophos domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MX87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M97.8Very high95.4Very high12 Ų129.6 Ų9.66%0.0594%0.04CC..  0139.40-179.4170.773.200108.4L3 F30 L34 P39 A41 V42 I43 F298 L299 M300M1-L3 HydrophobicContact CE-CD2 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.98Å; M1-L3 HydrophobicContact SD-CD2 4.22Å; M1-F30 HydrophobicContact CE-CD2 3.82Å; M1-F30 HydrophobicContact CE-CE2 3.54Å; M1-L34 HydrophobicContact CE-CD2 4.07Å; M1-P39 HydrophobicContact CB-CB 3.99Å; M1-P39 HydrophobicContact CB-CG 4.06Å; M1-A41 PolarHBondContact N-O 3Å; M1-V42 HydrophobicContact CB-CG2 4.33Å; M1-V42 HydrophobicContact CE-CB 4.36Å; M1-V42 HydrophobicContact CE-CG1 3.9Å; M1-V42 HydrophobicContact CE-CG2 3.53Å; M1-V42 CarbonylContact O-C 3.53Å; M1-V42 VanDerWaalsContact O-CA 3.28Å; M1-V42 WeakPolarHBondContact O-CA 3.19Å; M1-I43 PolarHBondContact O-N 3Å; M1-F298 HydrophobicContact CG-CB 4.43Å; M1-F298 HydrophobicContact CG-CD2 3.72Å; M1-F298 HydrophobicContact CG-CE2 4.26Å; M1-F298 HydrophobicContact CG-CG 4.25Å; M1-F298 HydrophobicContact SD-CD2 3.91Å; M1-F298 HydrophobicContact SD-CE2 4.01Å; M1-F298 HydrophobicContact SD-CG 4.29Å; M1-F298 HydrophobicContact SD-CZ 4.47Å; M1-L299 CarbonylContact C-O 3.53Å; M1-L299 WeakPolarHBondContact CA-O 3.36Å; M1-M300 HydrophobicContact CB-SD 3.73Å; M1-M300 HydrophobicContact CG-SD 3.89Å; M1-M300 HydrophobicContact SD-SD 4.48Å
2V98.4Very high93.9Very high2 Ų215.4 Ų15.41%0.0128%0.076CC..EExtended strand (participates in β ladder)trans-131.6124.6-176.7-169.60000109.6I43 L45 L259 V285 F298 L299 V301V2-I43 CarbonylContact C-O 3.54Å; V2-I43 WeakPolarHBondContact CA-O 3.32Å; V2-I43 HydrophobicContact CG1-CB 4.23Å; V2-I43 HydrophobicContact CG1-CG2 4.32Å; V2-I43 HydrophobicContact CG2-CB 4.45Å; V2-I43 HydrophobicContact CG2-CD1 4.44Å; V2-L45 HydrophobicContact CG1-CD1 3.51Å; V2-L45 HydrophobicContact CG1-CD2 4.43Å; V2-L45 HydrophobicContact CG1-CG 3.77Å; V2-L259 HydrophobicContact CG1-CD1 4.32Å; V2-L259 HydrophobicContact CG2-CD1 3.97Å; V2-V285 HydrophobicContact CB-CG2 4.48Å; V2-V285 HydrophobicContact CG1-CG2 3.97Å; V2-F298 WeakPolarHBondContact O-CA 3.45Å; V2-F298 WeakPolarHBondContact O-CB 3.27Å; V2-L299 HydrophobicContact CB-CB 4.25Å; V2-L299 PolarHBondContact N-O 3.2Å; V2-L299 PolarHBondContact O-N 2.7Å; V2-V301 HydrophobicContact CG2-CG2 3.96Å
3L98.1Very high92.9Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-114.9160-179.5-44.6-176000109.2M1 F30 V42 I43 I44 L45 F71 F288 F298M1-L3 HydrophobicContact CE-CD2 4.26Å; M1-L3 HydrophobicContact CG-CD2 3.98Å; M1-L3 HydrophobicContact SD-CD2 4.22Å; L3-F30 HydrophobicContact CD1-CD2 3.91Å; L3-F30 HydrophobicContact CD1-CE2 4.09Å; L3-V42 HydrophobicContact CD1-CG1 4.1Å; L3-V42 HydrophobicContact CG-CG1 4.12Å; L3-I43 PolarHBondContact N-O 3.05Å; L3-I44 HydrophobicContact CB-CG1 4.4Å; L3-I44 HydrophobicContact CB-CG2 4.42Å; L3-I44 HydrophobicContact CD1-CG1 4.29Å; L3-I44 CarbonylContact O-C 3.57Å; L3-I44 WeakPolarHBondContact O-CA 3.48Å; L3-L45 PolarHBondContact O-N 3.1Å; L3-F71 HydrophobicContact CD1-CD1 4.39Å; L3-F71 HydrophobicContact CD1-CE1 3.96Å; L3-F288 HydrophobicContact CB-CB 4.36Å; L3-F288 HydrophobicContact CD1-CD1 4.36Å; L3-F288 HydrophobicContact CD1-CE1 4.48Å; L3-F288 HydrophobicContact CD1-CG 4.39Å; L3-F288 HydrophobicContact CD2-CD2 3.74Å; L3-F288 HydrophobicContact CD2-CE2 3.97Å; L3-F288 HydrophobicContact CD2-CG 4.23Å; L3-F298 HydrophobicContact CD2-CB 3.3Å; L3-F298 HydrophobicContact CD2-CG 4.08Å
4A98.1Very high91.8Very high0 Ų023.9 Ų23.90%013%0.127CC..  trans-148.9159.8171.100000110.5T6 L45 V285 S287 F288A4-T6 PolarHBondContact O-N 2.92Å; A4-L45 HydrophobicContact CB-CB 4.04Å; A4-V285 HydrophobicContact CB-CB 4.08Å; A4-V285 HydrophobicContact CB-CG1 4.26Å; A4-S287 WeakPolarHBondContact O-CA 3.43Å; A4-F288 PolarHBondContact O-N 2.96Å
5D98.2Very high91.4Very high0 Ų030 Ų300%015%0.154CC..  trans51.956.7164.9-49.9-60.1000112.4H7 G46 H206 H262 H264 S287 S289D5-H7 VanDerWaalsContact C-N 3.34Å; D5-H7 PolarHBondContact O-CD2 2.97Å; D5-G46 PolarHBondContact N-O 3.42Å; D5-G46 VanDerWaalsContact N-O 3.17Å; D5-H206 IonicContact OD1-CE1 2.73Å; D5-H206 PolarHBondContact OD1-CE1 2.79Å; D5-H206 VanDerWaalsContact OD1-CE1 3.23Å; D5-H262 WeakPolarHBondContact OD1-CA 3.3Å; D5-H262 PolarHBondContact OD1-N 3.36Å; D5-H262 VanDerWaalsContact OD1-N 3.11Å; D5-H262 PolarHBondContact OD2-N 3.1Å; D5-H262 VanDerWaalsContact OD2-N 3.12Å; D5-H264 IonicContact OD1-CD2 3.74Å; D5-H264 IonicContact OD2-CD2 3.72Å; D5-S287 PolarHBondContact O-OG 3.09Å; D5-S289 WeakPolarHBondContact O-CB 3.28Å
6T97.4Very high91Very high0 Ų032.8 Ų32.80%017%0.174CC..  trans-75.1-29.3178.962.10000111.3A4 L8 M26 I44 D47 I48 F71 F288 S289A4-T6 PolarHBondContact O-N 2.92Å; T6-L8 PolarHBondContact O-N 3.18Å; T6-M26 VanDerWaalsContact O-SD 3.35Å; T6-I44 HydrophobicContact CG2-CG2 4.33Å; T6-D47 PolarHBondContact N-O 2.89Å; T6-D47 VanDerWaalsContact N-O 3.12Å; T6-I48 VanDerWaalsContact OG1-CA 3.29Å; T6-I48 WeakPolarHBondContact OG1-CA 3.46Å; T6-I48 PolarHBondContact OG1-O 2.84Å; T6-F71 HydrophobicContact CG2-CE1 4.27Å; T6-F71 HydrophobicContact CG2-CE2 4.36Å; T6-F71 HydrophobicContact CG2-CZ 3.56Å; T6-F288 HydrophobicContact CG2-CB 4.18Å; T6-F288 HydrophobicContact CG2-CD1 4.29Å; T6-S289 VanDerWaalsContact O-CB 3.23Å; T6-S289 WeakPolarHBondContact O-CB 3.14Å; T6-S289 PolarHBondContact O-OG 3.38Å; T6-S289 VanDerWaalsContact O-OG 3.08Å
7H96.5Very high90.9Very high3 Ų338.1 Ų38.11%0.01420%0.201CC..  trans42.564178.6-69.1-95.1000112.9D5 V9 D47 I48 D50 H87 H264 N292D5-H7 VanDerWaalsContact C-N 3.34Å; D5-H7 PolarHBondContact O-CD2 2.97Å; H7-V9 PolarHBondContact O-N 3.14Å; H7-D47 IonicContact CE1-OD2 2.7Å; H7-D47 PolarHBondContact CE1-OD2 3.23Å; H7-D47 PolarHBondContact N-O 2.83Å; H7-D47 IonicContact NE2-OD2 3.23Å; H7-I48 PolarHBondContact N-O 3.03Å; H7-D50 HydrophobicContact CB-CB 4.12Å; H7-D50 IonicContact CG-OD1 3.15Å; H7-D50 IonicContact ND1-OD1 3.31Å; H7-D50 PolarHBondContact ND1-OD1 3.32Å; H7-H87 AromaticContact CE1-CD2 3.87Å; H7-H87 AromaticContact CE1-CG 3.85Å; H7-H87 AromaticContact CE1-ND1 3.99Å; H7-H87 AromaticContact ND1-ND1 3.89Å; H7-H264 AromaticContact NE2-NE2 3.37Å; H7-H264 PolarHBondContact NE2-NE2 3.37Å; H7-N292 PolarHBondContact CD2-ND2 2.91Å; H7-N292 PolarHBondContact NE2-ND2 3.13Å
8L96Very high90.6Very high0 Ų038.7 Ų38.70%021%0.205CC..BIsolated β-bridgetrans-55.9112.9170.2-90.467000108.1T6 G10 M26 I48 L49 D50 L63 R66 F67 I70 F71T6-L8 PolarHBondContact O-N 3.18Å; L8-G10 PolarHBondContact O-N 3.23Å; L8-M26 HydrophobicContact CD1-CE 3.85Å; L8-M26 HydrophobicContact CD1-SD 4.33Å; L8-M26 HydrophobicContact CG-CE 4.3Å; L8-I48 WeakPolarHBondContact CD1-O 3.34Å; L8-I48 PolarHBondContact N-O 2.81Å; L8-L49 HydrophobicContact CB-CD2 4.27Å; L8-L49 HydrophobicContact CD2-CD2 4.48Å; L8-D50 WeakPolarHBondContact O-CB 3.35Å; L8-D50 PolarHBondContact O-N 2.86Å; L8-L63 HydrophobicContact CB-CD2 4Å; L8-R66 HydrophobicContact CD2-CB 4.05Å; L8-F67 HydrophobicContact CD2-CB 3.89Å; L8-I70 HydrophobicContact CD1-CD1 4.48Å; L8-I70 HydrophobicContact CD2-CD1 4.09Å; L8-I70 HydrophobicContact CG-CD1 4.2Å; L8-F71 HydrophobicContact CD1-CE2 4.03Å
9V94Very high90.7Very high2 Ų237.7 Ų37.71%0.01220%0.198CC..  trans-60.1123.5-175.5175.50000108.7H7 R19 R22 R66H7-V9 PolarHBondContact O-N 3.14Å; V9-R19 HydrophobicContact CB-CB 4.21Å; V9-R19 HydrophobicContact CB-CG 4.14Å; V9-R19 HydrophobicContact CG1-CB 4.25Å; V9-R19 HydrophobicContact CG1-CG 4.49Å; V9-R22 VanDerWaalsContact CG2-NH1 3.31Å; V9-R66 PolarHBondContact O-NH1 2.98Å; V9-R66 PolarHBondContact O-NH2 3.34Å
10G89.6Confident90.8Very high0 Ų041.9 Ų41.90%022%0.219CC..  trans-80.6-168.7178.700000113.4L8 G14 R19 E51L8-G10 PolarHBondContact O-N 3.23Å; G10-G14 WeakPolarHBondContact O-CA 3.44Å; G10-R19 PolarHBondContact O-NH2 3.39Å; G10-E51 WeakPolarHBondContact CA-OE2 3.34Å
11Y85.6Confident90.9Very high87 Ų8747.4 Ų47.434%0.34124%0.237SC..SBendtrans-100.3-15.4-178.3-77.8-94.4000113.9E51 D59 Y62Y11-E51 PolarHBondContact N-OE2 2.91Å; Y11-E51 VanDerWaalsContact N-OE2 3.07Å; Y11-D59 HydrophobicContact CD2-CB 4.4Å; Y11-Y62 HydrophobicContact CD2-CD1 4.41Å; Y11-Y62 AromaticContact CE2-CD1 3.16Å; Y11-Y62 HydrophobicContact CE2-CD1 3.16Å; Y11-Y62 AromaticContact CE2-CE1 3.6Å; Y11-Y62 HydrophobicContact CE2-CE1 3.6Å; Y11-Y62 AromaticContact CE2-CG 3.71Å; Y11-Y62 HydrophobicContact CE2-CG 3.71Å; Y11-Y62 AromaticContact CZ-CD1 3.47Å; Y11-Y62 VanDerWaalsContact CZ-CD1 3.47Å; Y11-Y62 AromaticContact CZ-CE1 3.47Å; Y11-Y62 VanDerWaalsContact CZ-CE1 3.47Å; Y11-Y62 AromaticContact CZ-CG 3.92Å; Y11-Y62 WeakPolarHBondContact OH-CD1 3.16Å; Y11-Y62 WeakPolarHBondContact OH-CD2 3.18Å; Y11-Y62 WeakPolarHBondContact OH-CE1 3.46Å; Y11-Y62 VanDerWaalsContact OH-CE2 3.3Å; Y11-Y62 WeakPolarHBondContact OH-CE2 3.3Å; Y11-Y62 VanDerWaalsContact OH-CG 3.3Å
12V77Confident90.6Very high79 Ų7948.6 Ų48.648%0.47924%0.241SC..SBendtrans-75.3-50.9-173.7-174.20000109.9E51V12-E51 WeakPolarHBondContact CA-OE2 3.34Å; V12-E51 WeakPolarHBondContact CB-OE2 3.2Å; V12-E51 WeakPolarHBondContact CG2-OE2 3.33Å; V12-E51 PolarHBondContact N-OE2 3.47Å
13L80.8Confident90.5Very high134 Ų13449.7 Ų49.770%0.70225%0.247SC*.SBendtrans-116.6-9.8-178.2-53.6175.1000112.5E51 W54L13-E51 WeakPolarHBondContact CA-OE1 3.33Å; L13-E51 VanDerWaalsContact CB-OE1 3.28Å; L13-E51 WeakPolarHBondContact CB-OE1 3.45Å; L13-E51 PolarHBondContact N-OE1 2.8Å; L13-W54 HydrophobicContact CD1-CZ3 4.01Å
14G77.9Confident90.4Very high15 Ų1557.1 Ų57.116%0.15528%0.275CS..  trans-85.2127.6-170.400000115.8G10 R19 E51G10-G14 WeakPolarHBondContact O-CA 3.44Å; G14-R19 PolarHBondContact O-NH2 3.34Å; G14-R19 VanDerWaalsContact O-NH2 3.09Å; G14-E51 PolarHBondContact N-OE1 2.86Å
15H85.7Confident90.3Very high116 Ų11658.7 Ų58.754%0.53728%0.282SS..  trans-74.3134.1176.1-166.8-83.5000112.4I17 D18 R19H15-I17 PolarHBondContact ND1-N 2.8Å; H15-I17 PolarHBondContact O-N 3.26Å; H15-D18 HydrophobicContact CB-CB 4.29Å; H15-D18 PolarHBondContact O-N 3.18Å; H15-R19 PolarHBondContact O-N 2.85Å; H15-R19 VanDerWaalsContact O-N 3.1Å
16P85.6Confident90.2Very high74 Ų7459 Ų5948%0.48128%0.283SS..Hα-helixtrans-58.8-41.5-175.1-27.534.7000115.4D18 R19 I20P16-D18 PolarHBondContact O-N 2.68Å; P16-R19 WeakPolarHBondContact O-CB 3.18Å; P16-R19 PolarHBondContact O-N 3.36Å; P16-I20 WeakPolarHBondContact O-CG1 3.36Å; P16-I20 PolarHBondContact O-N 3.23Å; P16-I20 VanDerWaalsContact O-N 3.09Å
17I87.8Confident90.2Very high123 Ų12362 Ų6263%0.63130%0.297SS*.Hα-helixtrans-64.4-43.2-179.8-62.2177.7000111.4H15 R19 I20 R21H15-I17 PolarHBondContact ND1-N 2.8Å; H15-I17 PolarHBondContact O-N 3.26Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 2.9Å; I17-I20 PolarHBondContact O-N 2.77Å; I17-R21 PolarHBondContact O-N 3.24Å; I17-R21 VanDerWaalsContact O-N 3.11Å
18D86.9Confident90.3Very high50 Ų5069.4 Ų69.427%0.26733%0.325SS..Hα-helixtrans-64.3-39.8-179.9-179.550.8000110.7H15 P16 R21 R22H15-D18 HydrophobicContact CB-CB 4.29Å; H15-D18 PolarHBondContact O-N 3.18Å; P16-D18 PolarHBondContact O-N 2.68Å; D18-R21 PolarHBondContact O-N 3Å; D18-R22 VanDerWaalsContact CG-NH2 3.29Å; D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 VanDerWaalsContact O-CG 3.23Å; D18-R22 WeakPolarHBondContact O-CG 3.48Å; D18-R22 PolarHBondContact O-N 3.11Å; D18-R22 IonicContact OD1-CZ 3.71Å; D18-R22 IonicContact OD1-NE 2.66Å; D18-R22 PolarHBondContact OD1-NE 2.97Å; D18-R22 IonicContact OD1-NH2 3.03Å; D18-R22 PolarHBondContact OD1-NH2 2.67Å; D18-R22 IonicContact OD2-CZ 2.64Å; D18-R22 IonicContact OD2-NE 3.76Å; D18-R22 PolarHBondContact OD2-NE 3.32Å; D18-R22 VanDerWaalsContact OD2-NE 3.14Å; D18-R22 IonicContact OD2-NH1 2.72Å; D18-R22 PolarHBondContact OD2-NH1 3.44Å; D18-R22 IonicContact OD2-NH2 2.73Å; D18-R22 PolarHBondContact OD2-NH2 3.39Å
19R91.8Very high90.3Very high19 Ų1971.4 Ų71.47%0.07234%0.341CS..Hα-helixtrans-57.8-54.5173.3-168.8-171.3-49.11726.4112.8V9 G10 G14 H15 P16 I17 R21 R22 D23 R66V9-R19 HydrophobicContact CB-CB 4.21Å; V9-R19 HydrophobicContact CB-CG 4.14Å; V9-R19 HydrophobicContact CG1-CB 4.25Å; V9-R19 HydrophobicContact CG1-CG 4.49Å; G10-R19 PolarHBondContact O-NH2 3.39Å; G14-R19 PolarHBondContact O-NH2 3.34Å; G14-R19 VanDerWaalsContact O-NH2 3.09Å; H15-R19 PolarHBondContact O-N 2.85Å; H15-R19 VanDerWaalsContact O-N 3.1Å; P16-R19 WeakPolarHBondContact O-CB 3.18Å; P16-R19 PolarHBondContact O-N 3.36Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 2.9Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 3.32Å; R19-R22 PolarHBondContact O-N 3.42Å; R19-D23 WeakPolarHBondContact O-CB 3.37Å; R19-D23 PolarHBondContact O-N 3.08Å; R19-R66 VanDerWaalsContact CG-CZ 3.49Å
20I91.8Very high90.5Very high122 Ų12271.3 Ų71.363%0.62634%0.34SS*.Hα-helixtrans-58.1-45.9-179.3-67.6167.5000110.9P16 I17 W24P16-I20 WeakPolarHBondContact O-CG1 3.36Å; P16-I20 PolarHBondContact O-N 3.23Å; P16-I20 VanDerWaalsContact O-N 3.09Å; I17-I20 PolarHBondContact O-N 2.77Å; I20-W24 WeakPolarHBondContact O-CB 3.42Å; I20-W24 PolarHBondContact O-N 3.42Å
21R93.2Very high90.9Very high157 Ų15774.4 Ų74.459%0.59236%0.355SS*.Hα-helixtrans-61.4-48.1-180179.5-179.3171.6-179.7-0.9111.3I17 D18 R19 W24 Q25I17-R21 PolarHBondContact O-N 3.24Å; I17-R21 VanDerWaalsContact O-N 3.11Å; D18-R21 PolarHBondContact O-N 3Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 3.32Å; R21-W24 PolarHBondContact O-N 3.28Å; R21-Q25 WeakPolarHBondContact O-CG 3.27Å; R21-Q25 PolarHBondContact O-N 3.01Å
22R93Very high91.5Very high38 Ų3872.5 Ų72.514%0.14336%0.357CS..Hα-helixtrans-66.7-42.3-177.8-72.3174.8-174.2-178.12.2111.9V9 D18 R19 W24 Q25 M26 R291V9-R22 VanDerWaalsContact CG2-NH1 3.31Å; D18-R22 VanDerWaalsContact CG-NH2 3.29Å; D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 VanDerWaalsContact O-CG 3.23Å; D18-R22 WeakPolarHBondContact O-CG 3.48Å; D18-R22 PolarHBondContact O-N 3.11Å; D18-R22 IonicContact OD1-CZ 3.71Å; D18-R22 IonicContact OD1-NE 2.66Å; D18-R22 PolarHBondContact OD1-NE 2.97Å; D18-R22 IonicContact OD1-NH2 3.03Å; D18-R22 PolarHBondContact OD1-NH2 2.67Å; D18-R22 IonicContact OD2-CZ 2.64Å; D18-R22 IonicContact OD2-NE 3.76Å; D18-R22 PolarHBondContact OD2-NE 3.32Å; D18-R22 VanDerWaalsContact OD2-NE 3.14Å; D18-R22 IonicContact OD2-NH1 2.72Å; D18-R22 PolarHBondContact OD2-NH1 3.44Å; D18-R22 IonicContact OD2-NH2 2.73Å; D18-R22 PolarHBondContact OD2-NH2 3.39Å; R19-R22 PolarHBondContact O-N 3.42Å; R22-W24 VanDerWaalsContact C-N 3.33Å; R22-W24 PolarHBondContact O-N 3.31Å; R22-Q25 PolarHBondContact O-N 3.08Å; R22-M26 HydrophobicContact CB-CE 4.46Å; R22-M26 WeakPolarHBondContact O-CG 3.46Å; R22-M26 PolarHBondContact O-N 2.96Å; R22-R291 VanDerWaalsContact NH1-CD 3.31Å
23D95.5Very high92.5Very high24 Ų2469.2 Ų69.213%0.12834%0.337CS..Hα-helixtrans-59.9-45.9176.4-70.2-2.1000111.1R19 Q25 M26 K27 R66 I70R19-D23 WeakPolarHBondContact O-CB 3.37Å; R19-D23 PolarHBondContact O-N 3.08Å; D23-Q25 PolarHBondContact O-N 3.05Å; D23-M26 PolarHBondContact O-N 2.9Å; D23-K27 VanDerWaalsContact O-CB 3.23Å; D23-K27 WeakPolarHBondContact O-CB 3.28Å; D23-K27 PolarHBondContact O-N 3.25Å; D23-R66 VanDerWaalsContact CG-NH2 3.28Å; D23-R66 IonicContact OD1-CZ 3.99Å; D23-R66 IonicContact OD1-NE 3.17Å; D23-R66 IonicContact OD1-NH2 3.57Å; D23-R66 PolarHBondContact OD1-NH2 3.35Å; D23-R66 IonicContact OD2-CZ 3.66Å; D23-R66 IonicContact OD2-NE 3.2Å; D23-R66 PolarHBondContact OD2-NE 3.5Å; D23-R66 IonicContact OD2-NH2 3.73Å; D23-R66 PolarHBondContact OD2-NH2 3.01Å; D23-I70 HydrophobicContact CB-CD1 3.76Å; D23-I70 HydrophobicContact CB-CG1 4.29Å
24W95.7Very high93.3Very high157 Ų15763.8 Ų63.860%0.59531%0.309SS*.Hα-helixtrans-60.7-44.1176.2176.589.7000112I20 R21 R22 K27 R28I20-W24 WeakPolarHBondContact O-CB 3.42Å; I20-W24 PolarHBondContact O-N 3.42Å; R21-W24 PolarHBondContact O-N 3.28Å; R22-W24 VanDerWaalsContact C-N 3.33Å; R22-W24 PolarHBondContact O-N 3.31Å; W24-K27 PolarHBondContact O-N 3.16Å; W24-R28 HydrophobicContact CD2-CG 4.09Å; W24-R28 HydrophobicContact CG-CG 4.44Å; W24-R28 HydrophobicContact CZ2-CG 3.98Å; W24-R28 WeakPolarHBondContact O-CB 3.41Å; W24-R28 WeakPolarHBondContact O-CG 3.36Å; W24-R28 PolarHBondContact O-N 2.96Å
25Q96Very high94.2Very high33 Ų3372.5 Ų72.515%0.15434%0.339CS..Hα-helixtrans-61.9-49.8178.2-73.7175-34.700111.6R21 R22 D23 R28 A29R21-Q25 WeakPolarHBondContact O-CG 3.27Å; R21-Q25 PolarHBondContact O-N 3.01Å; R22-Q25 PolarHBondContact O-N 3.08Å; D23-Q25 PolarHBondContact O-N 3.05Å; Q25-R28 PolarHBondContact O-N 3.23Å; Q25-A29 VanDerWaalsContact O-CB 3.32Å; Q25-A29 WeakPolarHBondContact O-CB 3.18Å; Q25-A29 PolarHBondContact O-N 2.65Å
26M97Very high94.7Very high5 Ų572.9 Ų72.93%0.02534%0.344CS..Hα-helixtrans-62.2-44.2178.6-72-173.2-70.100111.3T6 L8 R22 D23 R28 A29 F30 I70 F288T6-M26 VanDerWaalsContact O-SD 3.35Å; L8-M26 HydrophobicContact CD1-CE 3.85Å; L8-M26 HydrophobicContact CD1-SD 4.33Å; L8-M26 HydrophobicContact CG-CE 4.3Å; R22-M26 HydrophobicContact CB-CE 4.46Å; R22-M26 WeakPolarHBondContact O-CG 3.46Å; R22-M26 PolarHBondContact O-N 2.96Å; D23-M26 PolarHBondContact O-N 2.9Å; M26-R28 PolarHBondContact O-N 3.18Å; M26-A29 PolarHBondContact O-N 2.65Å; M26-F30 WeakPolarHBondContact O-CB 3.23Å; M26-F30 PolarHBondContact O-N 3.04Å; M26-I70 HydrophobicContact CB-CG2 3.79Å; M26-I70 HydrophobicContact CE-CD1 4.32Å; M26-F288 HydrophobicContact CB-CE1 4.27Å; M26-F288 HydrophobicContact CG-CD1 4.27Å; M26-F288 HydrophobicContact CG-CE1 4.45Å
27K97.8Very high95.3Very high65 Ų6572.9 Ų72.928%0.28334%0.337SS..Hα-helixtrans-60.3-48.1178.1-173.2172.4-167.8170.10110.7D23 W24 F30 Q31 D69 I70D23-K27 VanDerWaalsContact O-CB 3.23Å; D23-K27 WeakPolarHBondContact O-CB 3.28Å; D23-K27 PolarHBondContact O-N 3.25Å; W24-K27 PolarHBondContact O-N 3.16Å; K27-F30 PolarHBondContact O-N 3.05Å; K27-Q31 HydrophobicContact CG-CG 4.32Å; K27-Q31 WeakPolarHBondContact O-CB 3.25Å; K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 2.93Å; K27-D69 WeakPolarHBondContact CE-O 3.49Å; K27-D69 IonicContact NZ-OD1 3.02Å; K27-D69 PolarHBondContact NZ-OD1 2.99Å; K27-D69 IonicContact NZ-OD2 3.49Å; K27-D69 PolarHBondContact NZ-OD2 3.31Å; K27-I70 HydrophobicContact CB-CB 4.49Å; K27-I70 HydrophobicContact CB-CG1 4.39Å; K27-I70 HydrophobicContact CB-CG2 4.26Å
28R97.4Very high95.7Very high158 Ų15872.4 Ų72.460%0.59634%0.336SS*.Hα-helixtrans-63.5-45.3179.2-69.5-71.2161.3-174-3.6112W24 Q25 M26 A32W24-R28 HydrophobicContact CD2-CG 4.09Å; W24-R28 HydrophobicContact CG-CG 4.44Å; W24-R28 HydrophobicContact CZ2-CG 3.98Å; W24-R28 WeakPolarHBondContact O-CB 3.41Å; W24-R28 WeakPolarHBondContact O-CG 3.36Å; W24-R28 PolarHBondContact O-N 2.96Å; Q25-R28 PolarHBondContact O-N 3.23Å; M26-R28 PolarHBondContact O-N 3.18Å; R28-A32 VanDerWaalsContact O-CB 3.23Å; R28-A32 WeakPolarHBondContact O-CB 3.3Å; R28-A32 PolarHBondContact O-N 2.95Å
29A96.9Very high96.2Very high41 Ų4170.5 Ų70.534%0.33933%0.327SS..Hα-helixtrans-62.2-44.8177.900000111.5Q25 M26 S33 F288Q25-A29 VanDerWaalsContact O-CB 3.32Å; Q25-A29 WeakPolarHBondContact O-CB 3.18Å; Q25-A29 PolarHBondContact O-N 2.65Å; M26-A29 PolarHBondContact O-N 2.65Å; A29-S33 VanDerWaalsContact O-CB 3.3Å; A29-S33 WeakPolarHBondContact O-CB 3.4Å; A29-S33 PolarHBondContact O-N 3.44Å; A29-S33 PolarHBondContact O-OG 3.43Å; A29-F288 HydrophobicContact CB-CE1 4.2Å; A29-F288 HydrophobicContact CB-CE2 4.21Å; A29-F288 HydrophobicContact CB-CZ 3.56Å
30F98.1Very high96.4Very high0 Ų074 Ų740%035%0.346CS..Hα-helixtrans-65.8-50.1-178.5-177.5-107000111.7M1 L3 M26 K27 A32 S33 L34 V42 F71 F288M1-F30 HydrophobicContact CE-CD2 3.82Å; M1-F30 HydrophobicContact CE-CE2 3.54Å; L3-F30 HydrophobicContact CD1-CD2 3.91Å; L3-F30 HydrophobicContact CD1-CE2 4.09Å; M26-F30 WeakPolarHBondContact O-CB 3.23Å; M26-F30 PolarHBondContact O-N 3.04Å; K27-F30 PolarHBondContact O-N 3.05Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.17Å; F30-S33 PolarHBondContact O-N 3.05Å; F30-S33 VanDerWaalsContact O-N 3.13Å; F30-L34 HydrophobicContact CD1-CD1 4Å; F30-L34 HydrophobicContact CD1-CG 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.37Å; F30-L34 HydrophobicContact CE1-CG 3.95Å; F30-L34 HydrophobicContact CE2-CD2 4.32Å; F30-L34 HydrophobicContact CE2-CG 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.68Å; F30-L34 HydrophobicContact CZ-CD2 4.06Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 PolarHBondContact O-N 3.2Å; F30-V42 HydrophobicContact CE2-CG1 4.06Å; F30-V42 HydrophobicContact CE2-CG2 4.21Å; F30-V42 HydrophobicContact CZ-CG2 4.43Å; F30-F71 HydrophobicContact CB-CD1 4.29Å; F30-F71 HydrophobicContact CB-CE1 4.43Å; F30-F71 HydrophobicContact CD1-CB 4.36Å; F30-F71 HydrophobicContact CD1-CD1 4.01Å; F30-F71 AromaticContact CD2-CD1 3.63Å; F30-F71 HydrophobicContact CD2-CD1 3.63Å; F30-F71 HydrophobicContact CD2-CE1 4.1Å; F30-F71 VanDerWaalsContact CE1-C 3.5Å; F30-F71 VanDerWaalsContact CE1-CA 3.46Å; F30-F71 HydrophobicContact CE1-CB 4.03Å; F30-F71 HydrophobicContact CE1-CD1 4.21Å; F30-F71 WeakPolarHBondContact CE1-O 3.32Å; F30-F71 AromaticContact CE2-CD1 3.86Å; F30-F71 HydrophobicContact CE2-CD1 3.86Å; F30-F71 AromaticContact CG-CD1 3.7Å; F30-F71 HydrophobicContact CG-CD1 3.7Å; F30-F71 HydrophobicContact CG-CE1 4.24Å; F30-F71 HydrophobicContact CZ-CB 4.25Å; F30-F71 HydrophobicContact CZ-CD1 4.14Å; F30-F288 HydrophobicContact CB-CE1 4.21Å; F30-F288 HydrophobicContact CB-CZ 4.16Å
31Q98Very high96.6Very high66 Ų6668.9 Ų68.931%0.30832%0.323SS..Hα-helixtrans-62.3-40.7179.1-64-56.9-43.600112K27 Y35 H72K27-Q31 HydrophobicContact CG-CG 4.32Å; K27-Q31 WeakPolarHBondContact O-CB 3.25Å; K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 2.93Å; Q31-Y35 WeakPolarHBondContact O-CB 3.27Å; Q31-Y35 PolarHBondContact O-N 3.43Å; Q31-H72 PolarHBondContact NE2-O 3.29Å
32A97.8Very high96.9Very high46 Ų4661.4 Ų61.438%0.3830%0.295SS..Hα-helixtrans-63.9-41.3174.400000111.7R28 F30 Y35 L36R28-A32 VanDerWaalsContact O-CB 3.23Å; R28-A32 WeakPolarHBondContact O-CB 3.3Å; R28-A32 PolarHBondContact O-N 2.95Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.17Å; A32-Y35 PolarHBondContact O-N 2.85Å; A32-L36 WeakPolarHBondContact O-CB 3.34Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 3.42Å
33S97.4Very high97.1Very high10 Ų1060.1 Ų60.17%0.0729%0.29CS..Hα-helixtrans-66.6-41.1179.5-56.40000111.9A29 F30 H37 F298A29-S33 VanDerWaalsContact O-CB 3.3Å; A29-S33 WeakPolarHBondContact O-CB 3.4Å; A29-S33 PolarHBondContact O-N 3.44Å; A29-S33 PolarHBondContact O-OG 3.43Å; F30-S33 PolarHBondContact O-N 3.05Å; F30-S33 VanDerWaalsContact O-N 3.13Å; S33-H37 VanDerWaalsContact O-CB 3.3Å; S33-H37 WeakPolarHBondContact O-CB 3.11Å; S33-H37 PolarHBondContact O-CD2 3.28Å; S33-H37 PolarHBondContact O-N 3.34Å; S33-F298 WeakPolarHBondContact OG-CE1 3.36Å; S33-F298 WeakPolarHBondContact OG-CZ 3.44Å
34L97.4Very high97.2Very high21 Ų2159 Ų5911%0.1128%0.284CS..Hα-helixtrans-60.1-46.7172.6-73.1-173.5000111.6M1 F30 N38 P39 V42 H73 T78M1-L34 HydrophobicContact CE-CD2 4.07Å; F30-L34 HydrophobicContact CD1-CD1 4Å; F30-L34 HydrophobicContact CD1-CG 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.37Å; F30-L34 HydrophobicContact CE1-CG 3.95Å; F30-L34 HydrophobicContact CE2-CD2 4.32Å; F30-L34 HydrophobicContact CE2-CG 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.68Å; F30-L34 HydrophobicContact CZ-CD2 4.06Å; F30-L34 HydrophobicContact CZ-CG 3.93Å; F30-L34 PolarHBondContact O-N 3.2Å; L34-N38 VanDerWaalsContact O-CA 3.27Å; L34-N38 WeakPolarHBondContact O-CA 3.44Å; L34-N38 PolarHBondContact O-N 2.83Å; L34-P39 HydrophobicContact CD2-CG 3.77Å; L34-V42 HydrophobicContact CD2-CG2 3.96Å; L34-H73 HydrophobicContact CD1-CB 3.84Å; L34-T78 HydrophobicContact CD2-CG2 4.16Å
35Y97.1Very high97.4Very high198 Ų19851.5 Ų51.578%0.77626%0.256SS*.Hα-helixtrans-63.4-46.3179.8177.6-98.9000112.6Q31 A32Q31-Y35 WeakPolarHBondContact O-CB 3.27Å; Q31-Y35 PolarHBondContact O-N 3.43Å; A32-Y35 PolarHBondContact O-N 2.85Å
36L97.3Very high97.4Very high123 Ų12349.9 Ų49.964%0.64425%0.249SC*.Hα-helixtrans-76.1-38.3-174.6-70171.4000113.2A32A32-L36 WeakPolarHBondContact O-CB 3.34Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 3.42Å
37H96.7Very high97.5Very high74 Ų7449.7 Ų49.734%0.34325%0.248SC..Hα-helixtrans-103.6-16-172-60.9-61000114.1S33 F298 M300S33-H37 VanDerWaalsContact O-CB 3.3Å; S33-H37 WeakPolarHBondContact O-CB 3.11Å; S33-H37 PolarHBondContact O-CD2 3.28Å; S33-H37 PolarHBondContact O-N 3.34Å; H37-F298 AromaticContact CD2-CE2 3.8Å; H37-F298 AromaticContact CD2-CZ 3.66Å; H37-F298 AromaticContact NE2-CE2 3.88Å; H37-F298 AromaticContact NE2-CZ 3.56Å; H37-M300 HydrophobicContact CB-CE 3.67Å; H37-M300 HydrophobicContact CB-SD 4.18Å
38N96.4Very high97.5Very high114 Ų11446.6 Ų46.661%0.6123%0.234SC*.  trans42.354.4179.4-168.439.2000114.1L34L34-N38 VanDerWaalsContact O-CA 3.27Å; L34-N38 WeakPolarHBondContact O-CA 3.44Å; L34-N38 PolarHBondContact O-N 2.83Å
39P97.4Very high97.5Very high10 Ų1039.1 Ų39.17%0.06521%0.206CC..  trans-72.4139.6-174.131.1-35.1000111.9M1 L34 A41 V42 T78M1-P39 HydrophobicContact CB-CB 3.99Å; M1-P39 HydrophobicContact CB-CG 4.06Å; L34-P39 HydrophobicContact CD2-CG 3.77Å; P39-A41 VanDerWaalsContact C-N 3.26Å; P39-A41 PolarHBondContact O-N 2.94Å; P39-V42 HydrophobicContact CG-CG2 4.13Å; P39-T78 WeakPolarHBondContact O-CG2 3.24Å; P39-T78 PolarHBondContact O-OG1 3.19Å
40N96.3Very high97.4Very high91 Ų9137.6 Ų37.649%0.48719%0.192SC..SBendtrans-66.8-29.6171.9-57104.8000112.5T78 L79 F121 F122N40-T78 WeakPolarHBondContact O-CA 3.3Å; N40-L79 PolarHBondContact O-N 3.36Å; N40-F121 HydrophobicContact CB-CE1 4.07Å; N40-F121 HydrophobicContact CB-CZ 4.07Å; N40-F122 HydrophobicContact CB-CE2 3.98Å
41A97Very high97.1Very high16 Ų1637.7 Ų37.713%0.13219%0.193CC..EExtended strand (participates in β ladder)trans-141.6143.9177.400000112.5M1 P39 L79 W119 F121M1-A41 PolarHBondContact N-O 3Å; P39-A41 VanDerWaalsContact C-N 3.26Å; P39-A41 PolarHBondContact O-N 2.94Å; A41-L79 CarbonylContact C-O 3.55Å; A41-L79 VanDerWaalsContact CA-O 3.24Å; A41-L79 WeakPolarHBondContact CA-O 3.23Å; A41-W119 HydrophobicContact CB-CH2 4.26Å; A41-F121 HydrophobicContact CB-CD1 4.37Å; A41-F121 HydrophobicContact CB-CE1 3.85Å; A41-F121 HydrophobicContact CB-CZ 4.36Å
42V98Very high97Very high0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-114.6130.8166.2-176.70000108.9M1 L3 F30 L34 P39 I44 T78 L79 V80 K81M1-V42 HydrophobicContact CB-CG2 4.33Å; M1-V42 HydrophobicContact CE-CB 4.36Å; M1-V42 HydrophobicContact CE-CG1 3.9Å; M1-V42 HydrophobicContact CE-CG2 3.53Å; M1-V42 CarbonylContact O-C 3.53Å; M1-V42 VanDerWaalsContact O-CA 3.28Å; M1-V42 WeakPolarHBondContact O-CA 3.19Å; L3-V42 HydrophobicContact CD1-CG1 4.1Å; L3-V42 HydrophobicContact CG-CG1 4.12Å; F30-V42 HydrophobicContact CE2-CG1 4.06Å; F30-V42 HydrophobicContact CE2-CG2 4.21Å; F30-V42 HydrophobicContact CZ-CG2 4.43Å; L34-V42 HydrophobicContact CD2-CG2 3.96Å; P39-V42 HydrophobicContact CG-CG2 4.13Å; V42-I44 HydrophobicContact CG1-CG1 4.21Å; V42-T78 HydrophobicContact CG2-CG2 3.69Å; V42-L79 PolarHBondContact N-O 3.27Å; V42-V80 HydrophobicContact CB-CG2 4.14Å; V42-V80 CarbonylContact O-C 3.51Å; V42-V80 WeakPolarHBondContact O-CA 3.36Å; V42-K81 PolarHBondContact O-N 3.26Å
43I98Very high96.9Very high10 Ų1033.8 Ų33.85%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-114.1131173.2-63.5156.6000108M1 V2 L3 L45 K81 W119 F126 L204M1-I43 PolarHBondContact O-N 3Å; V2-I43 CarbonylContact C-O 3.54Å; V2-I43 WeakPolarHBondContact CA-O 3.32Å; V2-I43 HydrophobicContact CG1-CB 4.23Å; V2-I43 HydrophobicContact CG1-CG2 4.32Å; V2-I43 HydrophobicContact CG2-CB 4.45Å; V2-I43 HydrophobicContact CG2-CD1 4.44Å; L3-I43 PolarHBondContact N-O 3.05Å; I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.22Å; I43-K81 CarbonylContact C-O 3.03Å; I43-K81 VanDerWaalsContact CA-O 3.32Å; I43-K81 WeakPolarHBondContact CA-O 3.44Å; I43-W119 HydrophobicContact CD1-CZ3 4.48Å; I43-W119 HydrophobicContact CG1-CZ3 4.49Å; I43-F126 HydrophobicContact CD1-CE1 4.29Å; I43-L204 HydrophobicContact CD1-CD1 3.71Å; I43-L204 HydrophobicContact CD1-CD2 4.14Å; I43-L204 HydrophobicContact CG1-CD1 4.15Å; I43-L204 HydrophobicContact CG2-CD1 3.92Å; I43-L204 HydrophobicContact CG2-CD2 4.35Å
44I98.3Very high96.8Very high0 Ų040.7 Ų40.70%019%0.191CC..EExtended strand (participates in β ladder)trans-114.4110.6176.2-48.8-179.5000109L3 T6 V42 G46 I48 F67 F71 V80 K81 T82 V83L3-I44 HydrophobicContact CB-CG1 4.4Å; L3-I44 HydrophobicContact CB-CG2 4.42Å; L3-I44 HydrophobicContact CD1-CG1 4.29Å; L3-I44 CarbonylContact O-C 3.57Å; L3-I44 WeakPolarHBondContact O-CA 3.48Å; T6-I44 HydrophobicContact CG2-CG2 4.33Å; V42-I44 HydrophobicContact CG1-CG1 4.21Å; I44-G46 VanDerWaalsContact C-N 3.34Å; I44-G46 PolarHBondContact O-N 2.77Å; I44-G46 VanDerWaalsContact O-N 3.1Å; I44-I48 HydrophobicContact CB-CD1 4.17Å; I44-I48 HydrophobicContact CG2-CD1 3.88Å; I44-I48 HydrophobicContact CG2-CG1 3.74Å; I44-F67 HydrophobicContact CD1-CE2 3.85Å; I44-F67 HydrophobicContact CD1-CZ 4.12Å; I44-F71 HydrophobicContact CD1-CD1 4.21Å; I44-F71 HydrophobicContact CD1-CE1 4.46Å; I44-F71 HydrophobicContact CD1-CG 4.31Å; I44-V80 HydrophobicContact CD1-CG1 4.25Å; I44-K81 PolarHBondContact N-O 2.8Å; I44-T82 HydrophobicContact CB-CG2 4.45Å; I44-V83 PolarHBondContact O-N 2.78Å
45L98.3Very high96.6Very high0 Ų040 Ų400%019%0.187CC..EExtended strand (participates in β ladder)trans-86.659.3-168.8-61.7174.9000113.3V2 L3 A4 I43 V83 L204 H206 L259 S260 V285V2-L45 HydrophobicContact CG1-CD1 3.51Å; V2-L45 HydrophobicContact CG1-CD2 4.43Å; V2-L45 HydrophobicContact CG1-CG 3.77Å; L3-L45 PolarHBondContact O-N 3.1Å; A4-L45 HydrophobicContact CB-CB 4.04Å; I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.22Å; L45-V83 HydrophobicContact CD2-CG2 3.84Å; L45-L204 HydrophobicContact CD2-CB 4.13Å; L45-L204 HydrophobicContact CD2-CD2 4.4Å; L45-H206 PolarHBondContact O-ND1 3.43Å; L45-L259 HydrophobicContact CD1-CB 3.93Å; L45-S260 WeakPolarHBondContact CD1-O 3.24Å; L45-V285 HydrophobicContact CD1-CB 4.27Å; L45-V285 HydrophobicContact CD1-CG2 3.78Å
46G97.9Very high96.4Very high0 Ų034.2 Ų34.20%017%0.173CC..SBendtrans73.1174.4173.300000115.5D5 I44 I48 V83D5-G46 PolarHBondContact N-O 3.42Å; D5-G46 VanDerWaalsContact N-O 3.17Å; I44-G46 VanDerWaalsContact C-N 3.34Å; I44-G46 PolarHBondContact O-N 2.77Å; I44-G46 VanDerWaalsContact O-N 3.1Å; G46-I48 PolarHBondContact O-N 2.81Å; G46-V83 WeakPolarHBondContact CA-O 3.42Å; G46-V83 PolarHBondContact N-O 3.1Å
47D98Very high96.3Very high1 Ų132.8 Ų32.81%0.00517%0.166CC..  trans49.548.8-172.3-78.29.1000111.2T6 H7 G85 N86 H87 D88 H206T6-D47 PolarHBondContact N-O 2.89Å; T6-D47 VanDerWaalsContact N-O 3.12Å; H7-D47 IonicContact CE1-OD2 2.7Å; H7-D47 PolarHBondContact CE1-OD2 3.23Å; H7-D47 PolarHBondContact N-O 2.83Å; H7-D47 IonicContact NE2-OD2 3.23Å; D47-G85 VanDerWaalsContact OD1-C 3.23Å; D47-G85 VanDerWaalsContact OD1-CA 3.29Å; D47-G85 WeakPolarHBondContact OD1-CA 3.49Å; D47-N86 PolarHBondContact OD1-N 3.49Å; D47-N86 PolarHBondContact OD1-OD1 2.88Å; D47-N86 PolarHBondContact OD2-OD1 3Å; D47-H87 HydrophobicContact CB-CB 4.33Å; D47-H87 WeakPolarHBondContact OD1-CB 3.15Å; D47-H87 PolarHBondContact OD1-N 2.83Å; D47-H87 IonicContact OD2-CD2 3.64Å; D47-H87 PolarHBondContact OD2-CD2 3.49Å; D47-H87 IonicContact OD2-CG 3.9Å; D47-D88 WeakPolarHBondContact CA-OD2 3.31Å; D47-D88 PolarHBondContact N-OD2 3.01Å; D47-H206 IonicContact OD1-CE1 3.06Å; D47-H206 IonicContact OD1-NE2 2.67Å; D47-H206 PolarHBondContact OD1-NE2 2.83Å; D47-H206 IonicContact OD2-CE1 3.92Å; D47-H206 IonicContact OD2-NE2 2.89Å; D47-H206 PolarHBondContact OD2-NE2 3.37Å
48I97.6Very high96.2Very high0 Ų035.4 Ų35.40%018%0.183CC..  trans-68.6-45.4175.8-59-173.2000108.6T6 H7 L8 I44 G46 F67 T82 D88 F103 V107T6-I48 VanDerWaalsContact OG1-CA 3.29Å; T6-I48 WeakPolarHBondContact OG1-CA 3.46Å; T6-I48 PolarHBondContact OG1-O 2.84Å; H7-I48 PolarHBondContact N-O 3.03Å; L8-I48 WeakPolarHBondContact CD1-O 3.34Å; L8-I48 PolarHBondContact N-O 2.81Å; I44-I48 HydrophobicContact CB-CD1 4.17Å; I44-I48 HydrophobicContact CG2-CD1 3.88Å; I44-I48 HydrophobicContact CG2-CG1 3.74Å; G46-I48 PolarHBondContact O-N 2.81Å; I48-F67 HydrophobicContact CD1-CE2 4.11Å; I48-F67 HydrophobicContact CD1-CZ 4.41Å; I48-F67 HydrophobicContact CG2-CD2 3.31Å; I48-F67 HydrophobicContact CG2-CE2 3.51Å; I48-F67 HydrophobicContact CG2-CG 4.22Å; I48-T82 HydrophobicContact CD1-CG2 3.57Å; I48-D88 PolarHBondContact N-OD1 2.78Å; I48-D88 PolarHBondContact N-OD2 2.97Å; I48-F103 HydrophobicContact CB-CE2 4.42Å; I48-F103 HydrophobicContact CD1-CE2 4.36Å; I48-F103 HydrophobicContact CD1-CZ 3.92Å; I48-F103 HydrophobicContact CG1-CZ 4.38Å; I48-V107 HydrophobicContact CD1-CG1 3.79Å; I48-V107 HydrophobicContact CG2-CG1 4.24Å
49L96.7Very high96.1Very high0 Ų031.9 Ų31.90%016%0.164CC..BIsolated β-bridgetrans-104.1137.8179.8-49.9-176.2000109.5L8 F60 L63 H87 D88 V107L8-L49 HydrophobicContact CB-CD2 4.27Å; L8-L49 HydrophobicContact CD2-CD2 4.48Å; L49-F60 HydrophobicContact CD1-CD2 3.92Å; L49-F60 HydrophobicContact CD1-CE2 3.51Å; L49-F60 HydrophobicContact CD1-CZ 4.43Å; L49-L63 HydrophobicContact CD1-CB 4.5Å; L49-L63 HydrophobicContact CD1-CD1 4.49Å; L49-L63 HydrophobicContact CD2-CB 3.96Å; L49-L63 HydrophobicContact CD2-CD2 4.33Å; L49-H87 CarbonylContact O-C 3.34Å; L49-H87 WeakPolarHBondContact O-CB 3.35Å; L49-D88 WeakPolarHBondContact CB-OD1 3.44Å; L49-D88 PolarHBondContact N-OD1 2.84Å; L49-V107 HydrophobicContact CD1-CG2 4.29Å
50D94.9Very high96Very high9 Ų931.5 Ų31.55%0.04816%0.161CC..SBendtrans-78.1-31.9177.4-167.439.4000112.8H7 L8 K53 H87 R291H7-D50 HydrophobicContact CB-CB 4.12Å; H7-D50 IonicContact CG-OD1 3.15Å; H7-D50 IonicContact ND1-OD1 3.31Å; H7-D50 PolarHBondContact ND1-OD1 3.32Å; L8-D50 WeakPolarHBondContact O-CB 3.35Å; L8-D50 PolarHBondContact O-N 2.86Å; D50-K53 PolarHBondContact O-NZ 2.91Å; D50-K53 VanDerWaalsContact O-NZ 3.08Å; D50-H87 PolarHBondContact O-ND1 3.07Å; D50-H87 IonicContact OD1-CE1 3.58Å; D50-H87 IonicContact OD1-ND1 3.38Å; D50-H87 PolarHBondContact OD1-ND1 3.21Å; D50-H87 VanDerWaalsContact OD1-ND1 3.17Å; D50-R291 VanDerWaalsContact CG-CZ 3.47Å; D50-R291 VanDerWaalsContact CG-NH2 3.33Å; D50-R291 IonicContact OD1-CZ 3.68Å; D50-R291 IonicContact OD1-NE 3.47Å; D50-R291 IonicContact OD1-NH1 3.31Å; D50-R291 IonicContact OD1-NH2 3.62Å; D50-R291 PolarHBondContact OD1-NH2 3.3Å; D50-R291 IonicContact OD2-CZ 2.96Å; D50-R291 IonicContact OD2-NH1 3.78Å; D50-R291 PolarHBondContact OD2-NH1 3.05Å; D50-R291 IonicContact OD2-NH2 2.86Å; D50-R291 PolarHBondContact OD2-NH2 3.23Å
51E93.7Very high96Very high3 Ų330.7 Ų30.71%0.01416%0.157CC..SBendtrans-125.918.8-172.3-62.4172.5-175.200111.6G10 Y11 V12 L13 G14 K53 W54 A55G10-E51 WeakPolarHBondContact CA-OE2 3.34Å; Y11-E51 PolarHBondContact N-OE2 2.91Å; Y11-E51 VanDerWaalsContact N-OE2 3.07Å; V12-E51 WeakPolarHBondContact CA-OE2 3.34Å; V12-E51 WeakPolarHBondContact CB-OE2 3.2Å; V12-E51 WeakPolarHBondContact CG2-OE2 3.33Å; V12-E51 PolarHBondContact N-OE2 3.47Å; L13-E51 WeakPolarHBondContact CA-OE1 3.33Å; L13-E51 VanDerWaalsContact CB-OE1 3.28Å; L13-E51 WeakPolarHBondContact CB-OE1 3.45Å; L13-E51 PolarHBondContact N-OE1 2.8Å; G14-E51 PolarHBondContact N-OE1 2.86Å; E51-K53 PolarHBondContact O-N 3.13Å; E51-K53 VanDerWaalsContact O-N 3.11Å; E51-W54 HydrophobicContact CG-CE3 4.41Å; E51-W54 CarbonylContact O-C 3.6Å; E51-W54 PolarHBondContact O-N 2.57Å; E51-A55 WeakPolarHBondContact O-CB 3.32Å; E51-A55 PolarHBondContact O-N 2.94Å
52G95.7Very high95.9Very high0 Ų034.6 Ų34.60%017%0.169CC..THydrogen-bonded Turntrans-53.1-35.9-179.300000112.6W54 H87 D88 R102G52-W54 VanDerWaalsContact C-N 3.31Å; G52-W54 PolarHBondContact O-N 3.41Å; G52-H87 PolarHBondContact N-O 3.43Å; G52-H87 VanDerWaalsContact N-O 3.13Å; G52-D88 CarbonylContact C-O 3.51Å; G52-D88 WeakPolarHBondContact CA-O 3.47Å; G52-R102 PolarHBondContact O-NH2 2.79Å
53K95Very high95.8Very high29 Ų2934.6 Ų34.613%0.12617%0.169CC..THydrogen-bonded Turntrans-67.1-20.6175.264.3-174.6173.9-73.70116D50 E51 H87 D88D50-K53 PolarHBondContact O-NZ 2.91Å; D50-K53 VanDerWaalsContact O-NZ 3.08Å; E51-K53 PolarHBondContact O-N 3.13Å; E51-K53 VanDerWaalsContact O-N 3.11Å; K53-H87 PolarHBondContact N-O 3.2Å; K53-H87 PolarHBondContact NZ-ND1 3.37Å; K53-H87 VanDerWaalsContact NZ-ND1 3.17Å; K53-D88 PolarHBondContact N-O 2.87Å; K53-D88 VanDerWaalsContact N-O 3.09Å
54W94.3Very high95.7Very high156 Ų15634.3 Ų34.359%0.59117%0.167SC*.THydrogen-bonded Turntrans-117.7-14.5-175.4-61.8-36.4000113.5L13 E51 G52 T56L13-W54 HydrophobicContact CD1-CZ3 4.01Å; E51-W54 HydrophobicContact CG-CE3 4.41Å; E51-W54 CarbonylContact O-C 3.6Å; E51-W54 PolarHBondContact O-N 2.57Å; G52-W54 VanDerWaalsContact C-N 3.31Å; G52-W54 PolarHBondContact O-N 3.41Å; W54-T56 PolarHBondContact O-N 3.3Å
55A93.7Very high95.6Very high5 Ų540.1 Ų40.14%0.04119%0.194CC..  trans-59.8133.6-177.500000111.5E51 D59 F60 L63 R102E51-A55 WeakPolarHBondContact O-CB 3.32Å; E51-A55 PolarHBondContact O-N 2.94Å; A55-D59 HydrophobicContact CB-CB 4Å; A55-F60 HydrophobicContact CB-CB 3.95Å; A55-L63 HydrophobicContact CB-CD1 4.19Å; A55-R102 PolarHBondContact O-NH1 2.92Å; A55-R102 PolarHBondContact O-NH2 2.85Å
56T94.3Very high95.5Very high78 Ų7840.8 Ų40.848%0.47920%0.197SC..  trans-60.4168.716368.70000109.8W54 D58 D59 F60W54-T56 PolarHBondContact O-N 3.3Å; T56-D58 VanDerWaalsContact C-N 3.27Å; T56-D58 PolarHBondContact O-N 3.19Å; T56-D59 PolarHBondContact O-N 2.92Å; T56-D59 WeakPolarHBondContact OG1-CB 3.24Å; T56-D59 PolarHBondContact OG1-N 2.04Å; T56-D59 PolarHBondContact OG1-OD2 2.82Å; T56-F60 WeakPolarHBondContact O-CB 3.26Å; T56-F60 PolarHBondContact O-N 2.92Å
57N94.5Very high95.4Very high93 Ų9341.5 Ų41.550%0.49720%0.2SC..Hα-helixtrans-59.7-40.9177.9-71.1-19.4000112F60 N61 F98N57-F60 PolarHBondContact O-N 3.3Å; N57-N61 WeakPolarHBondContact O-CB 3.25Å; N57-N61 PolarHBondContact O-N 2.83Å; N57-N61 PolarHBondContact O-ND2 2.95Å; N57-F98 WeakPolarHBondContact OD1-CZ 3.14Å
58D94.8Very high95.4Very high129 Ų12947.4 Ų47.469%0.6922%0.222SC*.Hα-helixtrans-69.9-44.5-179.4-63.4-23.8000111.5T56 F60 N61 Y62T56-D58 VanDerWaalsContact C-N 3.27Å; T56-D58 PolarHBondContact O-N 3.19Å; D58-F60 VanDerWaalsContact C-N 3.28Å; D58-F60 PolarHBondContact O-N 3.32Å; D58-N61 PolarHBondContact O-N 2.81Å; D58-Y62 PolarHBondContact O-N 2.85Å
59D94.3Very high95.4Very high39 Ų3951.4 Ų51.421%0.20924%0.244CC..Hα-helixtrans-61.5-39.7175.5-66-44.9000111.5Y11 A55 T56 Y62 L63Y11-D59 HydrophobicContact CD2-CB 4.4Å; A55-D59 HydrophobicContact CB-CB 4Å; T56-D59 PolarHBondContact O-N 2.92Å; T56-D59 WeakPolarHBondContact OG1-CB 3.24Å; T56-D59 PolarHBondContact OG1-N 2.04Å; T56-D59 PolarHBondContact OG1-OD2 2.82Å; D59-Y62 PolarHBondContact O-N 2.91Å; D59-L63 WeakPolarHBondContact O-CB 3.33Å; D59-L63 WeakPolarHBondContact O-CG 3.42Å; D59-L63 PolarHBondContact O-N 2.79Å
60F95.8Very high95.4Very high3 Ų351.5 Ų51.51%0.01324%0.244CC..Hα-helixtrans-66.3-44.2178.2-176.7-94.9000111.2L49 A55 T56 N57 D58 Y62 L63 V64 R102 D106 V107L49-F60 HydrophobicContact CD1-CD2 3.92Å; L49-F60 HydrophobicContact CD1-CE2 3.51Å; L49-F60 HydrophobicContact CD1-CZ 4.43Å; A55-F60 HydrophobicContact CB-CB 3.95Å; T56-F60 WeakPolarHBondContact O-CB 3.26Å; T56-F60 PolarHBondContact O-N 2.92Å; N57-F60 PolarHBondContact O-N 3.3Å; D58-F60 VanDerWaalsContact C-N 3.28Å; D58-F60 PolarHBondContact O-N 3.32Å; F60-Y62 VanDerWaalsContact C-N 3.31Å; F60-Y62 PolarHBondContact O-N 3.27Å; F60-L63 WeakPolarHBondContact O-CB 3.19Å; F60-L63 PolarHBondContact O-N 3Å; F60-L63 VanDerWaalsContact O-N 3.16Å; F60-V64 HydrophobicContact CD1-CG2 4Å; F60-V64 HydrophobicContact CE1-CG2 3.63Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 VanDerWaalsContact O-CG2 3.31Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.39Å; F60-R102 HydrophobicContact CE1-CB 4.1Å; F60-R102 HydrophobicContact CE1-CG 4.01Å; F60-R102 HydrophobicContact CE2-CG 4.13Å; F60-R102 HydrophobicContact CZ-CB 4.27Å; F60-R102 HydrophobicContact CZ-CG 3.81Å; F60-D106 HydrophobicContact CE1-CB 3.83Å; F60-D106 HydrophobicContact CZ-CB 4.41Å; F60-V107 HydrophobicContact CZ-CG2 4.18Å
61N95.5Very high95.5Very high74 Ų7451.3 Ų51.340%0.39624%0.243SC..Hα-helixtrans-59.1-43.2175.9-71.7-22.1000111.4N57 D58 L63 V64 E65N57-N61 WeakPolarHBondContact O-CB 3.25Å; N57-N61 PolarHBondContact O-N 2.83Å; N57-N61 PolarHBondContact O-ND2 2.95Å; D58-N61 PolarHBondContact O-N 2.81Å; N61-L63 PolarHBondContact O-N 3.19Å; N61-V64 WeakPolarHBondContact O-CB 3.36Å; N61-V64 PolarHBondContact O-N 3.13Å; N61-E65 WeakPolarHBondContact O-CG 3.14Å; N61-E65 PolarHBondContact O-N 2.89Å
62Y94.5Very high95.7Very high97 Ų9756.9 Ų56.938%0.3827%0.269SS..Hα-helixtrans-66.4-38.4176.1-174.4-86.5000112.7Y11 D58 D59 F60 V64 E65 R66Y11-Y62 HydrophobicContact CD2-CD1 4.41Å; Y11-Y62 AromaticContact CE2-CD1 3.16Å; Y11-Y62 HydrophobicContact CE2-CD1 3.16Å; Y11-Y62 AromaticContact CE2-CE1 3.6Å; Y11-Y62 HydrophobicContact CE2-CE1 3.6Å; Y11-Y62 AromaticContact CE2-CG 3.71Å; Y11-Y62 HydrophobicContact CE2-CG 3.71Å; Y11-Y62 AromaticContact CZ-CD1 3.47Å; Y11-Y62 VanDerWaalsContact CZ-CD1 3.47Å; Y11-Y62 AromaticContact CZ-CE1 3.47Å; Y11-Y62 VanDerWaalsContact CZ-CE1 3.47Å; Y11-Y62 AromaticContact CZ-CG 3.92Å; Y11-Y62 WeakPolarHBondContact OH-CD1 3.16Å; Y11-Y62 WeakPolarHBondContact OH-CD2 3.18Å; Y11-Y62 WeakPolarHBondContact OH-CE1 3.46Å; Y11-Y62 VanDerWaalsContact OH-CE2 3.3Å; Y11-Y62 WeakPolarHBondContact OH-CE2 3.3Å; Y11-Y62 VanDerWaalsContact OH-CG 3.3Å; D58-Y62 PolarHBondContact O-N 2.85Å; D59-Y62 PolarHBondContact O-N 2.91Å; F60-Y62 VanDerWaalsContact C-N 3.31Å; F60-Y62 PolarHBondContact O-N 3.27Å; Y62-V64 VanDerWaalsContact C-N 3.28Å; Y62-V64 PolarHBondContact O-N 3.16Å; Y62-E65 PolarHBondContact O-N 3.35Å; Y62-R66 VanDerWaalsContact CD1-CD 3.46Å; Y62-R66 HydrophobicContact CD1-CG 4.1Å; Y62-R66 HydrophobicContact CE1-CG 3.77Å; Y62-R66 PolarHBondContact O-N 2.89Å
63L95.5Very high95.7Very high1 Ų158.6 Ų58.61%0.00528%0.277CS..Hα-helixtrans-59.8-40.7172.8-81.7169.5000111.6L8 L49 A55 D59 F60 N61 R66 F67L8-L63 HydrophobicContact CB-CD2 4Å; L49-L63 HydrophobicContact CD1-CB 4.5Å; L49-L63 HydrophobicContact CD1-CD1 4.49Å; L49-L63 HydrophobicContact CD2-CB 3.96Å; L49-L63 HydrophobicContact CD2-CD2 4.33Å; A55-L63 HydrophobicContact CB-CD1 4.19Å; D59-L63 WeakPolarHBondContact O-CB 3.33Å; D59-L63 WeakPolarHBondContact O-CG 3.42Å; D59-L63 PolarHBondContact O-N 2.79Å; F60-L63 WeakPolarHBondContact O-CB 3.19Å; F60-L63 PolarHBondContact O-N 3Å; F60-L63 VanDerWaalsContact O-N 3.16Å; N61-L63 PolarHBondContact O-N 3.19Å; L63-R66 PolarHBondContact O-N 2.65Å; L63-F67 WeakPolarHBondContact O-CB 3.07Å; L63-F67 PolarHBondContact O-N 2.91Å
64V95.9Very high95.8Very high3 Ų360.4 Ų60.42%0.01829%0.288CS..Hα-helixtrans-65.9-44.2176.1170.30000111.5F60 N61 Y62 R66 F67 R68 D106 V107F60-V64 HydrophobicContact CD1-CG2 4Å; F60-V64 HydrophobicContact CE1-CG2 3.63Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 VanDerWaalsContact O-CG2 3.31Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.39Å; N61-V64 WeakPolarHBondContact O-CB 3.36Å; N61-V64 PolarHBondContact O-N 3.13Å; Y62-V64 VanDerWaalsContact C-N 3.28Å; Y62-V64 PolarHBondContact O-N 3.16Å; V64-R66 VanDerWaalsContact C-N 3.32Å; V64-R66 PolarHBondContact O-N 3.41Å; V64-F67 WeakPolarHBondContact O-CB 3.03Å; V64-F67 PolarHBondContact O-N 3.04Å; V64-R68 WeakPolarHBondContact O-CG 3.46Å; V64-R68 PolarHBondContact O-N 3.01Å; V64-D106 HydrophobicContact CG1-CB 4.16Å; V64-D106 WeakPolarHBondContact CG1-O 3.3Å; V64-D106 HydrophobicContact CG2-CB 3.81Å; V64-V107 HydrophobicContact CG2-CG2 3.89Å
65E96.4Very high95.8Very high122 Ų12259.7 Ų59.757%0.5729%0.289SS*.Hα-helixtrans-59.3-44.1175.8-74.1177.4179.400111.6N61 Y62 R68 D69N61-E65 WeakPolarHBondContact O-CG 3.14Å; N61-E65 PolarHBondContact O-N 2.89Å; Y62-E65 PolarHBondContact O-N 3.35Å; E65-R68 PolarHBondContact O-N 3.32Å; E65-D69 PolarHBondContact O-N 2.96Å
66R96.2Very high95.8Very high15 Ų1565.4 Ų65.46%0.05732%0.323CS..Hα-helixtrans-63-43.5174.3-8117451.6-144.62.2113.1L8 V9 R19 D23 Y62 L63 V64 R68 D69 I70L8-R66 HydrophobicContact CD2-CB 4.05Å; V9-R66 PolarHBondContact O-NH1 2.98Å; V9-R66 PolarHBondContact O-NH2 3.34Å; R19-R66 VanDerWaalsContact CG-CZ 3.49Å; D23-R66 VanDerWaalsContact CG-NH2 3.28Å; D23-R66 IonicContact OD1-CZ 3.99Å; D23-R66 IonicContact OD1-NE 3.17Å; D23-R66 IonicContact OD1-NH2 3.57Å; D23-R66 PolarHBondContact OD1-NH2 3.35Å; D23-R66 IonicContact OD2-CZ 3.66Å; D23-R66 IonicContact OD2-NE 3.2Å; D23-R66 PolarHBondContact OD2-NE 3.5Å; D23-R66 IonicContact OD2-NH2 3.73Å; D23-R66 PolarHBondContact OD2-NH2 3.01Å; Y62-R66 VanDerWaalsContact CD1-CD 3.46Å; Y62-R66 HydrophobicContact CD1-CG 4.1Å; Y62-R66 HydrophobicContact CE1-CG 3.77Å; Y62-R66 PolarHBondContact O-N 2.89Å; L63-R66 PolarHBondContact O-N 2.65Å; V64-R66 VanDerWaalsContact C-N 3.32Å; V64-R66 PolarHBondContact O-N 3.41Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 2.78Å; R66-D69 PolarHBondContact O-N 3.03Å; R66-I70 WeakPolarHBondContact O-CB 3.37Å; R66-I70 WeakPolarHBondContact O-CD1 3.5Å; R66-I70 VanDerWaalsContact O-CG1 3.25Å; R66-I70 WeakPolarHBondContact O-CG1 3.47Å; R66-I70 PolarHBondContact O-N 3.47Å
67F97.2Very high95.9Very high14 Ų1468 Ų686%0.06133%0.328CS..Hα-helixtrans-55.8-47.7174.7171-102.3000110.6L8 I44 I48 L63 V64 D69 I70 F71 T82 V107L8-F67 HydrophobicContact CD2-CB 3.89Å; I44-F67 HydrophobicContact CD1-CE2 3.85Å; I44-F67 HydrophobicContact CD1-CZ 4.12Å; I48-F67 HydrophobicContact CD1-CE2 4.11Å; I48-F67 HydrophobicContact CD1-CZ 4.41Å; I48-F67 HydrophobicContact CG2-CD2 3.31Å; I48-F67 HydrophobicContact CG2-CE2 3.51Å; I48-F67 HydrophobicContact CG2-CG 4.22Å; L63-F67 WeakPolarHBondContact O-CB 3.07Å; L63-F67 PolarHBondContact O-N 2.91Å; V64-F67 WeakPolarHBondContact O-CB 3.03Å; V64-F67 PolarHBondContact O-N 3.04Å; F67-D69 VanDerWaalsContact C-N 3.34Å; F67-D69 PolarHBondContact O-N 3.19Å; F67-I70 PolarHBondContact O-N 2.61Å; F67-F71 AromaticContact CD2-CD2 3.3Å; F67-F71 HydrophobicContact CD2-CD2 3.3Å; F67-F71 AromaticContact CD2-CE2 3.72Å; F67-F71 HydrophobicContact CD2-CE2 3.72Å; F67-F71 HydrophobicContact CD2-CG 4.32Å; F67-F71 HydrophobicContact CE2-CB 4.38Å; F67-F71 AromaticContact CE2-CD2 3.41Å; F67-F71 HydrophobicContact CE2-CD2 3.41Å; F67-F71 VanDerWaalsContact CE2-CD2 3.41Å; F67-F71 AromaticContact CE2-CE2 3.94Å; F67-F71 HydrophobicContact CE2-CE2 3.94Å; F67-F71 HydrophobicContact CE2-CG 4.07Å; F67-F71 HydrophobicContact CG-CD2 4.18Å; F67-F71 HydrophobicContact CZ-CD2 4.38Å; F67-F71 WeakPolarHBondContact O-CB 3.32Å; F67-F71 WeakPolarHBondContact O-CD2 3.44Å; F67-F71 PolarHBondContact O-N 3.01Å; F67-T82 HydrophobicContact CZ-CG2 4.01Å; F67-V107 HydrophobicContact CD1-CG1 3.98Å; F67-V107 HydrophobicContact CD2-CG1 4.48Å; F67-V107 HydrophobicContact CE1-CG1 3.78Å; F67-V107 WeakPolarHBondContact CE1-O 3.49Å; F67-V107 HydrophobicContact CE2-CG1 4.32Å; F67-V107 HydrophobicContact CG-CG1 4.33Å; F67-V107 HydrophobicContact CZ-CG1 3.97Å
68R96.7Very high96Very high125 Ų12564 Ų6447%0.47231%0.307SS..Hα-helixtrans-64.2-35.6178.8-70173.2-179.5154.50.4113.1V64 E65 R66 H72 D106V64-R68 WeakPolarHBondContact O-CG 3.46Å; V64-R68 PolarHBondContact O-N 3.01Å; E65-R68 PolarHBondContact O-N 3.32Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 2.78Å; R68-H72 WeakPolarHBondContact O-CA 3.16Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.25Å; R68-H72 VanDerWaalsContact O-N 3.14Å; R68-D106 PolarHBondContact NH2-O 3.27Å
69D97.4Very high96Very high85 Ų8561 Ų6146%0.45529%0.29SS..Hα-helixtrans-71.6-44.6176.3178.962.1000112.9K27 E65 R66 F67K27-D69 WeakPolarHBondContact CE-O 3.49Å; K27-D69 IonicContact NZ-OD1 3.02Å; K27-D69 PolarHBondContact NZ-OD1 2.99Å; K27-D69 IonicContact NZ-OD2 3.49Å; K27-D69 PolarHBondContact NZ-OD2 3.31Å; E65-D69 PolarHBondContact O-N 2.96Å; R66-D69 PolarHBondContact O-N 3.03Å; F67-D69 VanDerWaalsContact C-N 3.34Å; F67-D69 PolarHBondContact O-N 3.19Å
70I97.4Very high96.1Very high1 Ų160.5 Ų60.51%0.00529%0.289CS..Hα-helixtrans-67.5-47.9-178.5-68.8164.9000110.4L8 D23 M26 K27 R66 F67 H72L8-I70 HydrophobicContact CD1-CD1 4.48Å; L8-I70 HydrophobicContact CD2-CD1 4.09Å; L8-I70 HydrophobicContact CG-CD1 4.2Å; D23-I70 HydrophobicContact CB-CD1 3.76Å; D23-I70 HydrophobicContact CB-CG1 4.29Å; M26-I70 HydrophobicContact CB-CG2 3.79Å; M26-I70 HydrophobicContact CE-CD1 4.32Å; K27-I70 HydrophobicContact CB-CB 4.49Å; K27-I70 HydrophobicContact CB-CG1 4.39Å; K27-I70 HydrophobicContact CB-CG2 4.26Å; R66-I70 WeakPolarHBondContact O-CB 3.37Å; R66-I70 WeakPolarHBondContact O-CD1 3.5Å; R66-I70 VanDerWaalsContact O-CG1 3.25Å; R66-I70 WeakPolarHBondContact O-CG1 3.47Å; R66-I70 PolarHBondContact O-N 3.47Å; F67-I70 PolarHBondContact O-N 2.61Å; I70-H72 VanDerWaalsContact C-N 3.34Å
71F97.4Very high96.1Very high5 Ų561.3 Ų61.32%0.02229%0.292CS..THydrogen-bonded Turntrans-98.225.2-176.1-57.5-75.8000113L3 T6 L8 F30 I44 F67 H73 F288L3-F71 HydrophobicContact CD1-CD1 4.39Å; L3-F71 HydrophobicContact CD1-CE1 3.96Å; T6-F71 HydrophobicContact CG2-CE1 4.27Å; T6-F71 HydrophobicContact CG2-CE2 4.36Å; T6-F71 HydrophobicContact CG2-CZ 3.56Å; L8-F71 HydrophobicContact CD1-CE2 4.03Å; F30-F71 HydrophobicContact CB-CD1 4.29Å; F30-F71 HydrophobicContact CB-CE1 4.43Å; F30-F71 HydrophobicContact CD1-CB 4.36Å; F30-F71 HydrophobicContact CD1-CD1 4.01Å; F30-F71 AromaticContact CD2-CD1 3.63Å; F30-F71 HydrophobicContact CD2-CD1 3.63Å; F30-F71 HydrophobicContact CD2-CE1 4.1Å; F30-F71 VanDerWaalsContact CE1-C 3.5Å; F30-F71 VanDerWaalsContact CE1-CA 3.46Å; F30-F71 HydrophobicContact CE1-CB 4.03Å; F30-F71 HydrophobicContact CE1-CD1 4.21Å; F30-F71 WeakPolarHBondContact CE1-O 3.32Å; F30-F71 AromaticContact CE2-CD1 3.86Å; F30-F71 HydrophobicContact CE2-CD1 3.86Å; F30-F71 AromaticContact CG-CD1 3.7Å; F30-F71 HydrophobicContact CG-CD1 3.7Å; F30-F71 HydrophobicContact CG-CE1 4.24Å; F30-F71 HydrophobicContact CZ-CB 4.25Å; F30-F71 HydrophobicContact CZ-CD1 4.14Å; I44-F71 HydrophobicContact CD1-CD1 4.21Å; I44-F71 HydrophobicContact CD1-CE1 4.46Å; I44-F71 HydrophobicContact CD1-CG 4.31Å; F67-F71 AromaticContact CD2-CD2 3.3Å; F67-F71 HydrophobicContact CD2-CD2 3.3Å; F67-F71 AromaticContact CD2-CE2 3.72Å; F67-F71 HydrophobicContact CD2-CE2 3.72Å; F67-F71 HydrophobicContact CD2-CG 4.32Å; F67-F71 HydrophobicContact CE2-CB 4.38Å; F67-F71 AromaticContact CE2-CD2 3.41Å; F67-F71 HydrophobicContact CE2-CD2 3.41Å; F67-F71 VanDerWaalsContact CE2-CD2 3.41Å; F67-F71 AromaticContact CE2-CE2 3.94Å; F67-F71 HydrophobicContact CE2-CE2 3.94Å; F67-F71 HydrophobicContact CE2-CG 4.07Å; F67-F71 HydrophobicContact CG-CD2 4.18Å; F67-F71 HydrophobicContact CZ-CD2 4.38Å; F67-F71 WeakPolarHBondContact O-CB 3.32Å; F67-F71 WeakPolarHBondContact O-CD2 3.44Å; F67-F71 PolarHBondContact O-N 3.01Å; F71-H73 PolarHBondContact O-N 2.91Å; F71-H73 PolarHBondContact O-ND1 3.42Å; F71-F288 HydrophobicContact CE1-CD1 4.39Å; F71-F288 HydrophobicContact CE1-CE1 4.27Å
72H97.1Very high96.1Very high120 Ų12058.1 Ų58.156%0.55628%0.275SS*.  trans-55.8136.1173.9175.973.2000111Q31 R68 I70Q31-H72 PolarHBondContact NE2-O 3.29Å; R68-H72 WeakPolarHBondContact O-CA 3.16Å; R68-H72 WeakPolarHBondContact O-CB 3.49Å; R68-H72 PolarHBondContact O-N 3.25Å; R68-H72 VanDerWaalsContact O-N 3.14Å; I70-H72 VanDerWaalsContact C-N 3.34Å
73H96.6Very high96.3Very high36 Ų3653.6 Ų53.617%0.16726%0.258CS..  trans-154.4160.9-177.758.5-80.4000110.6L34 F71 K75 T78 V80L34-H73 HydrophobicContact CD1-CB 3.84Å; F71-H73 PolarHBondContact O-N 2.91Å; F71-H73 PolarHBondContact O-ND1 3.42Å; H73-K75 PolarHBondContact O-N 3Å; H73-T78 PolarHBondContact CD2-O 3.33Å; H73-V80 WeakPolarHBondContact CE1-CG2 3.47Å; H73-V80 WeakPolarHBondContact ND1-CG2 3.24Å; H73-V80 WeakPolarHBondContact NE2-CG2 3.39Å
74D96.6Very high96.4Very high67 Ų6753.6 Ų53.636%0.35826%0.258SS..  trans-77100.9170.2-176.3-11.5000109.4T76 K77 T78D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 WeakPolarHBondContact OD1-CB 3.34Å; D74-T76 PolarHBondContact OD1-N 3.2Å; D74-T76 PolarHBondContact OD1-OG1 2.02Å; D74-T76 PolarHBondContact OD2-OG1 2.68Å; D74-K77 HydrophobicContact CB-CB 4.37Å; D74-K77 HydrophobicContact CB-CD 4.28Å; D74-K77 HydrophobicContact CB-CG 4.42Å; D74-K77 PolarHBondContact O-N 3.33Å; D74-K77 VanDerWaalsContact OD2-CD 3.24Å; D74-K77 WeakPolarHBondContact OD2-CD 3.28Å; D74-K77 WeakPolarHBondContact OD2-CE 3.3Å; D74-K77 IonicContact OD2-NZ 2.8Å; D74-K77 PolarHBondContact OD2-NZ 2.72Å; D74-T78 PolarHBondContact O-N 3.02Å
75K94.1Very high96.5Very high142 Ų14253.5 Ų53.562%0.61726%0.257SS*.THydrogen-bonded Turntrans-57.5-17.6-179.9-68.2-169.4176.7-167.50113.3H73 D109H73-K75 PolarHBondContact O-N 3Å; K75-D109 IonicContact NZ-OD2 2.66Å; K75-D109 PolarHBondContact NZ-OD2 3.37Å
76T94.7Very high96.5Very high125 Ų12547.8 Ų47.877%0.76723%0.231SC*.THydrogen-bonded Turntrans-82.2-1717772.20000113.5D74D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 WeakPolarHBondContact OD1-CB 3.34Å; D74-T76 PolarHBondContact OD1-N 3.2Å; D74-T76 PolarHBondContact OD1-OG1 2.02Å; D74-T76 PolarHBondContact OD2-OG1 2.68Å
77K95.3Very high96.6Very high133 Ų13349.3 Ų49.358%0.57824%0.238SC*.THydrogen-bonded Turntrans-111.5-37.6-176.8-66178.6-173.9157.10112.9D74D74-K77 HydrophobicContact CB-CB 4.37Å; D74-K77 HydrophobicContact CB-CD 4.28Å; D74-K77 HydrophobicContact CB-CG 4.42Å; D74-K77 PolarHBondContact O-N 3.33Å; D74-K77 VanDerWaalsContact OD2-CD 3.24Å; D74-K77 WeakPolarHBondContact OD2-CD 3.28Å; D74-K77 WeakPolarHBondContact OD2-CE 3.3Å; D74-K77 IonicContact OD2-NZ 2.8Å; D74-K77 PolarHBondContact OD2-NZ 2.72Å
78T96.6Very high96.6Very high8 Ų848.7 Ų48.75%0.04924%0.236CC..  trans-129.4121-173.5-59.80000109.3L34 P39 N40 V42 H73 D74L34-T78 HydrophobicContact CD2-CG2 4.16Å; P39-T78 WeakPolarHBondContact O-CG2 3.24Å; P39-T78 PolarHBondContact O-OG1 3.19Å; N40-T78 WeakPolarHBondContact O-CA 3.3Å; V42-T78 HydrophobicContact CG2-CG2 3.69Å; H73-T78 PolarHBondContact CD2-O 3.33Å; D74-T78 PolarHBondContact O-N 3.02Å
79L95.5Very high96.6Very high65 Ų6542.7 Ų42.734%0.3421%0.213SC..EExtended strand (participates in β ladder)trans-82.6138.5169.5-172.473.6000109.9N40 A41 V42 K81 W119 F121N40-L79 PolarHBondContact O-N 3.36Å; A41-L79 CarbonylContact C-O 3.55Å; A41-L79 VanDerWaalsContact CA-O 3.24Å; A41-L79 WeakPolarHBondContact CA-O 3.23Å; V42-L79 PolarHBondContact N-O 3.27Å; L79-K81 HydrophobicContact CD2-CG 4.09Å; L79-K81 HydrophobicContact CG-CG 4.46Å; L79-W119 HydrophobicContact CD2-CH2 3.9Å; L79-W119 HydrophobicContact CD2-CZ2 3.15Å; L79-F121 HydrophobicContact CD2-CD2 4.45Å; L79-F121 HydrophobicContact CD2-CE2 4.45Å
80V95.9Very high96.6Very high29 Ų2938.7 Ų38.718%0.17619%0.192CC..EExtended strand (participates in β ladder)trans-112.2126.9169.9-179.50000109.2V42 I44 H73V42-V80 HydrophobicContact CB-CG2 4.14Å; V42-V80 CarbonylContact O-C 3.51Å; V42-V80 WeakPolarHBondContact O-CA 3.36Å; I44-V80 HydrophobicContact CD1-CG1 4.25Å; H73-V80 WeakPolarHBondContact CE1-CG2 3.47Å; H73-V80 WeakPolarHBondContact ND1-CG2 3.24Å; H73-V80 WeakPolarHBondContact NE2-CG2 3.39Å
81K95.4Very high96.6Very high21 Ų2142.1 Ų42.19%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-118.5138.8170.6-71.7-74.6-170.8173.50109.3V42 I43 I44 L79 W119 I128 D187V42-K81 PolarHBondContact O-N 3.26Å; I43-K81 CarbonylContact C-O 3.03Å; I43-K81 VanDerWaalsContact CA-O 3.32Å; I43-K81 WeakPolarHBondContact CA-O 3.44Å; I44-K81 PolarHBondContact N-O 2.8Å; L79-K81 HydrophobicContact CD2-CG 4.09Å; L79-K81 HydrophobicContact CG-CG 4.46Å; K81-W119 HydrophobicContact CB-CZ3 4.38Å; K81-W119 HydrophobicContact CD-CD2 4.38Å; K81-W119 HydrophobicContact CG-CD2 4.15Å; K81-W119 HydrophobicContact CG-CE3 3.93Å; K81-W119 HydrophobicContact CG-CH2 3.99Å; K81-W119 HydrophobicContact CG-CZ2 4.2Å; K81-W119 HydrophobicContact CG-CZ3 3.84Å; K81-I128 HydrophobicContact CB-CD1 4.37Å; K81-D187 IonicContact NZ-OD2 3.57Å; K81-D187 PolarHBondContact NZ-OD2 3.43Å
82T96.7Very high96.5Very high6 Ų642.8 Ų42.84%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-113.5146.4178.758.30000110.4I44 I48 F67 V107 G108I44-T82 HydrophobicContact CB-CG2 4.45Å; I48-T82 HydrophobicContact CD1-CG2 3.57Å; F67-T82 HydrophobicContact CZ-CG2 4.01Å; T82-V107 HydrophobicContact CG2-CG1 4.44Å; T82-G108 WeakPolarHBondContact OG1-CA 3.4Å
83V97.2Very high96.5Very high2 Ų245.2 Ų45.21%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-111.4146.2167.3-174.50000106.7I44 L45 G46 I128 L204 H206I44-V83 PolarHBondContact O-N 2.78Å; L45-V83 HydrophobicContact CD2-CG2 3.84Å; G46-V83 WeakPolarHBondContact CA-O 3.42Å; G46-V83 PolarHBondContact N-O 3.1Å; V83-I128 HydrophobicContact CG1-CG2 4.5Å; V83-I128 HydrophobicContact CG2-CG2 3.98Å; V83-L204 HydrophobicContact CG2-CB 4.1Å; V83-H206 HydrophobicContact CG1-CB 4.5Å
84V97.2Very high96.5Very high2 Ų246.6 Ų46.61%0.01223%0.233CC..  trans-85.1138.7177.869.10000111.6D88 I89 F103 N130 H206V84-D88 HydrophobicContact CG2-CB 3.89Å; V84-I89 HydrophobicContact CG1-CD1 4.28Å; V84-I89 HydrophobicContact CG2-CB 4.19Å; V84-I89 HydrophobicContact CG2-CD1 3.73Å; V84-I89 HydrophobicContact CG2-CG1 3.74Å; V84-I89 HydrophobicContact CG2-CG2 3.46Å; V84-I89 VanDerWaalsContact CG2-CG2 3.46Å; V84-F103 HydrophobicContact CB-CD1 3.72Å; V84-F103 HydrophobicContact CB-CE1 3.51Å; V84-F103 HydrophobicContact CB-CZ 4.21Å; V84-F103 HydrophobicContact CG2-CD1 3.54Å; V84-F103 HydrophobicContact CG2-CD2 4.44Å; V84-F103 HydrophobicContact CG2-CE1 3.69Å; V84-F103 HydrophobicContact CG2-CG 3.93Å; V84-F103 HydrophobicContact CG2-CZ 4.19Å; V84-N130 HydrophobicContact CG1-CB 3.71Å; V84-N130 WeakPolarHBondContact CG1-OD1 3.33Å; V84-H206 WeakPolarHBondContact O-CB 3.27Å
85G97.9Very high96.4Very high0 Ų044.5 Ų44.50%022%0.223CC..  trans-112.6177.8172.300000114D47 D88 I89 H206D47-G85 VanDerWaalsContact OD1-C 3.23Å; D47-G85 VanDerWaalsContact OD1-CA 3.29Å; D47-G85 WeakPolarHBondContact OD1-CA 3.49Å; G85-D88 WeakPolarHBondContact CA-OD2 3.08Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.32Å; G85-D88 PolarHBondContact O-N 2.83Å; G85-I89 PolarHBondContact O-N 3.02Å; G85-H206 WeakPolarHBondContact CA-CD2 3.44Å
86N97.8Very high96.3Very high2 Ų241.5 Ų41.51%0.01121%0.213CC..Hα-helixtrans-77.5-23.6-176.662.4-67.4000112.5D47 D88 G90 F91 H206 F207 H262D47-N86 PolarHBondContact OD1-N 3.49Å; D47-N86 PolarHBondContact OD1-OD1 2.88Å; D47-N86 PolarHBondContact OD2-OD1 3Å; N86-D88 VanDerWaalsContact C-N 3.31Å; N86-G90 CarbonylContact O-C 3.53Å; N86-G90 WeakPolarHBondContact O-CA 2.81Å; N86-G90 PolarHBondContact O-N 2.94Å; N86-F91 HydrophobicContact CB-CD1 4.08Å; N86-F91 HydrophobicContact CB-CD2 4.34Å; N86-F91 HydrophobicContact CB-CE1 4.07Å; N86-F91 HydrophobicContact CB-CE2 4.34Å; N86-F91 HydrophobicContact CB-CG 4.21Å; N86-F91 HydrophobicContact CB-CZ 4.21Å; N86-F91 WeakPolarHBondContact ND2-CE2 3.21Å; N86-F91 WeakPolarHBondContact ND2-CZ 3.27Å; N86-H206 PolarHBondContact OD1-NE2 3.02Å; N86-H206 VanDerWaalsContact OD1-NE2 3.16Å; N86-F207 HydrophobicContact CB-CE1 4.01Å; N86-F207 HydrophobicContact CB-CZ 3.88Å; N86-F207 WeakPolarHBondContact OD1-CE1 3.46Å; N86-H262 PolarHBondContact OD1-ND1 3.03Å
87H97.4Very high96.1Very high48 Ų4842.9 Ų42.922%0.22221%0.211CC..Hα-helixtrans-74-27.3170.4-79.6-112.4000112.5H7 D47 L49 D50 G52 K53H7-H87 AromaticContact CE1-CD2 3.87Å; H7-H87 AromaticContact CE1-CG 3.85Å; H7-H87 AromaticContact CE1-ND1 3.99Å; H7-H87 AromaticContact ND1-ND1 3.89Å; D47-H87 HydrophobicContact CB-CB 4.33Å; D47-H87 WeakPolarHBondContact OD1-CB 3.15Å; D47-H87 PolarHBondContact OD1-N 2.83Å; D47-H87 IonicContact OD2-CD2 3.64Å; D47-H87 PolarHBondContact OD2-CD2 3.49Å; D47-H87 IonicContact OD2-CG 3.9Å; L49-H87 CarbonylContact O-C 3.34Å; L49-H87 WeakPolarHBondContact O-CB 3.35Å; D50-H87 PolarHBondContact O-ND1 3.07Å; D50-H87 IonicContact OD1-CE1 3.58Å; D50-H87 IonicContact OD1-ND1 3.38Å; D50-H87 PolarHBondContact OD1-ND1 3.21Å; D50-H87 VanDerWaalsContact OD1-ND1 3.17Å; G52-H87 PolarHBondContact N-O 3.43Å; G52-H87 VanDerWaalsContact N-O 3.13Å; K53-H87 PolarHBondContact N-O 3.2Å; K53-H87 PolarHBondContact NZ-ND1 3.37Å; K53-H87 VanDerWaalsContact NZ-ND1 3.17Å
88D97.5Very high96.1Very high0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-70.2-45.5178.3-61.1-47.8000112.4D47 I48 L49 G52 K53 V84 G85 N86 F103D47-D88 WeakPolarHBondContact CA-OD2 3.31Å; D47-D88 PolarHBondContact N-OD2 3.01Å; I48-D88 PolarHBondContact N-OD1 2.78Å; I48-D88 PolarHBondContact N-OD2 2.97Å; L49-D88 WeakPolarHBondContact CB-OD1 3.44Å; L49-D88 PolarHBondContact N-OD1 2.84Å; G52-D88 CarbonylContact C-O 3.51Å; G52-D88 WeakPolarHBondContact CA-O 3.47Å; K53-D88 PolarHBondContact N-O 2.87Å; K53-D88 VanDerWaalsContact N-O 3.09Å; V84-D88 HydrophobicContact CG2-CB 3.89Å; G85-D88 WeakPolarHBondContact CA-OD2 3.08Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.32Å; G85-D88 PolarHBondContact O-N 2.83Å; N86-D88 VanDerWaalsContact C-N 3.31Å; D88-F103 HydrophobicContact CB-CD2 3.58Å; D88-F103 HydrophobicContact CB-CE2 3.52Å; D88-F103 HydrophobicContact CB-CG 4.32Å; D88-F103 HydrophobicContact CB-CZ 4.22Å; D88-F103 WeakPolarHBondContact OD1-CE2 2.93Å
89I96.8Very high96Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-129.7-4.4-172.569.8169.2000115.1V84 G85 T95 L99 N100 F103 I132V84-I89 HydrophobicContact CG1-CD1 4.28Å; V84-I89 HydrophobicContact CG2-CB 4.19Å; V84-I89 HydrophobicContact CG2-CD1 3.73Å; V84-I89 HydrophobicContact CG2-CG1 3.74Å; V84-I89 HydrophobicContact CG2-CG2 3.46Å; V84-I89 VanDerWaalsContact CG2-CG2 3.46Å; G85-I89 PolarHBondContact O-N 3.02Å; I89-T95 VanDerWaalsContact O-CA 3.28Å; I89-T95 WeakPolarHBondContact O-CA 3.34Å; I89-T95 WeakPolarHBondContact O-CB 3.28Å; I89-T95 PolarHBondContact O-OG1 2.91Å; I89-L99 HydrophobicContact CB-CB 4.14Å; I89-L99 HydrophobicContact CG2-CB 4.48Å; I89-L99 WeakPolarHBondContact CG2-O 3.05Å; I89-L99 WeakPolarHBondContact O-CD1 3.38Å; I89-N100 HydrophobicContact CD1-CB 4.39Å; I89-F103 HydrophobicContact CG2-CB 3.75Å; I89-F103 HydrophobicContact CG2-CG 4.19Å; I89-I132 HydrophobicContact CD1-CD1 4.1Å; I89-I132 HydrophobicContact CG1-CD1 4.09Å
90G97.1Very high95.8Very high1 Ų139.5 Ų39.51%0.0120%0.195CC..  trans98.8159.6-176.200000112.9N86N86-G90 CarbonylContact O-C 3.53Å; N86-G90 WeakPolarHBondContact O-CA 2.81Å; N86-G90 PolarHBondContact O-N 2.94Å
91F97.2Very high95.7Very high72 Ų7241.9 Ų41.932%0.31620%0.204SC..SBendtrans-64.8168.9164.6-74-82.4000110.7N86 Y93 A94 T95 F207 L238N86-F91 HydrophobicContact CB-CD1 4.08Å; N86-F91 HydrophobicContact CB-CD2 4.34Å; N86-F91 HydrophobicContact CB-CE1 4.07Å; N86-F91 HydrophobicContact CB-CE2 4.34Å; N86-F91 HydrophobicContact CB-CG 4.21Å; N86-F91 HydrophobicContact CB-CZ 4.21Å; N86-F91 WeakPolarHBondContact ND2-CE2 3.21Å; N86-F91 WeakPolarHBondContact ND2-CZ 3.27Å; F91-Y93 PolarHBondContact O-N 2.92Å; F91-A94 CarbonylContact O-C 3.59Å; F91-A94 WeakPolarHBondContact O-CA 3.41Å; F91-A94 PolarHBondContact O-N 3.45Å; F91-T95 PolarHBondContact O-N 2.89Å; F91-F207 HydrophobicContact CD1-CE2 4.41Å; F91-F207 AromaticContact CD1-CZ 3.93Å; F91-F207 HydrophobicContact CD1-CZ 3.93Å; F91-F207 HydrophobicContact CE1-CE2 4.29Å; F91-F207 AromaticContact CE1-CZ 3.6Å; F91-F207 HydrophobicContact CE1-CZ 3.6Å; F91-L238 HydrophobicContact CD1-CD2 3.96Å; F91-L238 HydrophobicContact CE1-CD2 3.77Å; F91-L238 HydrophobicContact CG-CD2 4.47Å; F91-L238 HydrophobicContact CZ-CD2 4.13Å
92H96.7Very high95.6Very high19 Ų1941.4 Ų41.49%0.08820%0.201CC..G310 helixtrans-46.1-54-170.9-171.573.6000114.8A94 T95 I132 E135 D137 C139 C142H92-A94 PolarHBondContact O-N 3.48Å; H92-T95 WeakPolarHBondContact O-CG2 3.44Å; H92-I132 HydrophobicContact CB-CG2 4.2Å; H92-I132 PolarHBondContact ND1-O 3.13Å; H92-E135 HydrophobicContact CB-CB 4.21Å; H92-E135 HydrophobicContact CB-CG 4.12Å; H92-E135 VanDerWaalsContact CD2-CG 3.45Å; H92-E135 WeakPolarHBondContact CD2-CG 3.41Å; H92-E135 VanDerWaalsContact CG-CB 3.45Å; H92-E135 IonicContact CG-OE2 3.12Å; H92-E135 VanDerWaalsContact ND1-CB 3.35Å; H92-E135 WeakPolarHBondContact ND1-CB 3.45Å; H92-D137 IonicContact CD2-OD2 2.78Å; H92-D137 IonicContact CE1-OD1 3.92Å; H92-D137 IonicContact NE2-OD1 3.23Å; H92-D137 PolarHBondContact NE2-OD1 2.85Å; H92-D137 IonicContact NE2-OD2 3.84Å; H92-D137 PolarHBondContact NE2-OD2 2.62Å; H92-D137 VanDerWaalsContact NE2-OD2 3.12Å; H92-C139 PolarHBondContact CE1-SG 2.85Å; H92-C139 PolarHBondContact NE2-SG 3.45Å; H92-C142 PolarHBondContact CE1-SG 2.84Å
93Y96.1Very high95.6Very high172 Ų17241.1 Ų41.168%0.67520%0.199SC*.G310 helixtrans-79.1-4.3-178-62.7-65.8000114.6F91 D137F91-Y93 PolarHBondContact O-N 2.92Å; Y93-D137 WeakPolarHBondContact CE1-OD2 3.22Å; Y93-D137 PolarHBondContact OH-OD2 3.22Å; Y93-D137 VanDerWaalsContact OH-OD2 3.13Å
94A95.9Very high95.4Very high64 Ų6441.5 Ų41.553%0.52920%0.201SC..G310 helixtrans-108.4-13.6178.600000113.1F91 H92F91-A94 CarbonylContact O-C 3.59Å; F91-A94 WeakPolarHBondContact O-CA 3.41Å; F91-A94 PolarHBondContact O-N 3.45Å; H92-A94 PolarHBondContact O-N 3.48Å
95T94.9Very high95.2Very high24 Ų2447 Ų4715%0.14722%0.222CC..  trans-82.4165176.3-167.60000111.8I89 F91 H92 I132 L141I89-T95 VanDerWaalsContact O-CA 3.28Å; I89-T95 WeakPolarHBondContact O-CA 3.34Å; I89-T95 WeakPolarHBondContact O-CB 3.28Å; I89-T95 PolarHBondContact O-OG1 2.91Å; F91-T95 PolarHBondContact O-N 2.89Å; H92-T95 WeakPolarHBondContact O-CG2 3.44Å; T95-I132 HydrophobicContact CG2-CG2 3.71Å; T95-L141 HydrophobicContact CG2-CD2 4.38Å
96N93.2Very high95Very high79 Ų7948.1 Ų48.142%0.42223%0.228SC..  trans-155.1172173.858.161.3000110.2F98 L99 N100N96-F98 VanDerWaalsContact C-N 3.28Å; N96-F98 PolarHBondContact O-N 3.33Å; N96-F98 WeakPolarHBondContact OD1-CB 3.5Å; N96-F98 PolarHBondContact OD1-N 2.67Å; N96-F98 VanDerWaalsContact OD1-N 3.13Å; N96-L99 PolarHBondContact O-N 3.02Å; N96-L99 WeakPolarHBondContact OD1-CG 3.36Å; N96-L99 PolarHBondContact OD1-N 3.2Å; N96-N100 PolarHBondContact O-N 3.18Å
97E90.7Very high94.7Very high153 Ų15348.4 Ų48.472%0.71523%0.23SC*.Hα-helixtrans-58-39.3-178.1-176.8170.9-153.700112.7N100 H101E97-N100 PolarHBondContact O-N 3.4Å; E97-H101 WeakPolarHBondContact O-CB 3.35Å; E97-H101 PolarHBondContact O-N 2.81Å
98F93.6Very high94.2Very high105 Ų10546.7 Ų46.746%0.46123%0.225SC..Hα-helixtrans-63.2-47.8178.3168.1-98.3000112.1N57 N96 H101 R102N57-F98 WeakPolarHBondContact OD1-CZ 3.14Å; N96-F98 VanDerWaalsContact C-N 3.28Å; N96-F98 PolarHBondContact O-N 3.33Å; N96-F98 WeakPolarHBondContact OD1-CB 3.5Å; N96-F98 PolarHBondContact OD1-N 2.67Å; N96-F98 VanDerWaalsContact OD1-N 3.13Å; F98-H101 PolarHBondContact O-N 2.87Å; F98-R102 WeakPolarHBondContact O-CB 3.37Å; F98-R102 WeakPolarHBondContact O-CG 3.4Å; F98-R102 PolarHBondContact O-N 3.11Å
99L94.9Very high93.6Very high12 Ų1251.8 Ų51.86%0.06325%0.252CS..Hα-helixtrans-62-45177.6-66.8178.8000111.2I89 N96 R102 F103I89-L99 HydrophobicContact CB-CB 4.14Å; I89-L99 HydrophobicContact CG2-CB 4.48Å; I89-L99 WeakPolarHBondContact CG2-O 3.05Å; I89-L99 WeakPolarHBondContact O-CD1 3.38Å; N96-L99 PolarHBondContact O-N 3.02Å; N96-L99 WeakPolarHBondContact OD1-CG 3.36Å; N96-L99 PolarHBondContact OD1-N 3.2Å; L99-R102 VanDerWaalsContact CD2-CZ 3.41Å; L99-R102 WeakPolarHBondContact O-CG 3.4Å; L99-F103 PolarHBondContact O-N 2.99Å
100N92.6Very high92.7Very high19 Ų1953.7 Ų53.710%0.10226%0.262CS..Hα-helixtrans-62.4-47177-171.268.9000111.5I89 N96 E97 H104 N130I89-N100 HydrophobicContact CD1-CB 4.39Å; N96-N100 PolarHBondContact O-N 3.18Å; E97-N100 PolarHBondContact O-N 3.4Å; N100-H104 PolarHBondContact O-N 2.93Å; N100-H104 PolarHBondContact O-ND1 2.9Å; N100-H104 PolarHBondContact OD1-CE1 3.48Å; N100-N130 PolarHBondContact OD1-ND2 2.8Å
101H91.8Very high91.5Very high79 Ų7959.9 Ų59.937%0.36630%0.3SS..Hα-helixtrans-66-47.7-178-179.6-89.1000112.2E97 F98 F103 H104 R105E97-H101 WeakPolarHBondContact O-CB 3.35Å; E97-H101 PolarHBondContact O-N 2.81Å; F98-H101 PolarHBondContact O-N 2.87Å; H101-F103 VanDerWaalsContact C-N 3.29Å; H101-F103 PolarHBondContact O-N 3.04Å; H101-H104 PolarHBondContact O-N 2.81Å; H101-R105 WeakPolarHBondContact O-CB 3.29Å; H101-R105 PolarHBondContact O-N 2.79Å
102R94.4Very high90.6Very high10 Ų1060.3 Ų60.34%0.03830%0.3CS..Hα-helixtrans-61.4-37.9-178.875.1178.6-177.1176.9-0.8112.4G52 A55 F60 F98 L99 D106G52-R102 PolarHBondContact O-NH2 2.79Å; A55-R102 PolarHBondContact O-NH1 2.92Å; A55-R102 PolarHBondContact O-NH2 2.85Å; F60-R102 HydrophobicContact CE1-CB 4.1Å; F60-R102 HydrophobicContact CE1-CG 4.01Å; F60-R102 HydrophobicContact CE2-CG 4.13Å; F60-R102 HydrophobicContact CZ-CB 4.27Å; F60-R102 HydrophobicContact CZ-CG 3.81Å; F98-R102 WeakPolarHBondContact O-CB 3.37Å; F98-R102 WeakPolarHBondContact O-CG 3.4Å; F98-R102 PolarHBondContact O-N 3.11Å; L99-R102 VanDerWaalsContact CD2-CZ 3.41Å; L99-R102 WeakPolarHBondContact O-CG 3.4Å; R102-D106 WeakPolarHBondContact O-CB 3.32Å; R102-D106 PolarHBondContact O-N 3.02Å
103F95.6Very high89.8Confident0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-61.9-53.5176.5178.8-93.2000111.5I48 V84 D88 I89 L99 H101 R105 D106 V107 G108I48-F103 HydrophobicContact CB-CE2 4.42Å; I48-F103 HydrophobicContact CD1-CE2 4.36Å; I48-F103 HydrophobicContact CD1-CZ 3.92Å; I48-F103 HydrophobicContact CG1-CZ 4.38Å; V84-F103 HydrophobicContact CB-CD1 3.72Å; V84-F103 HydrophobicContact CB-CE1 3.51Å; V84-F103 HydrophobicContact CB-CZ 4.21Å; V84-F103 HydrophobicContact CG2-CD1 3.54Å; V84-F103 HydrophobicContact CG2-CD2 4.44Å; V84-F103 HydrophobicContact CG2-CE1 3.69Å; V84-F103 HydrophobicContact CG2-CG 3.93Å; V84-F103 HydrophobicContact CG2-CZ 4.19Å; D88-F103 HydrophobicContact CB-CD2 3.58Å; D88-F103 HydrophobicContact CB-CE2 3.52Å; D88-F103 HydrophobicContact CB-CG 4.32Å; D88-F103 HydrophobicContact CB-CZ 4.22Å; D88-F103 WeakPolarHBondContact OD1-CE2 2.93Å; I89-F103 HydrophobicContact CG2-CB 3.75Å; I89-F103 HydrophobicContact CG2-CG 4.19Å; L99-F103 PolarHBondContact O-N 2.99Å; H101-F103 VanDerWaalsContact C-N 3.29Å; H101-F103 PolarHBondContact O-N 3.04Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.21Å; F103-D106 PolarHBondContact O-N 3.27Å; F103-V107 HydrophobicContact CD2-CB 4.03Å; F103-V107 HydrophobicContact CD2-CG1 4.42Å; F103-V107 HydrophobicContact CD2-CG2 3.91Å; F103-V107 HydrophobicContact CE2-CB 3.95Å; F103-V107 HydrophobicContact CE2-CG1 3.84Å; F103-V107 HydrophobicContact CE2-CG2 4.08Å; F103-V107 HydrophobicContact CZ-CB 4.34Å; F103-V107 HydrophobicContact CZ-CG1 4.06Å; F103-V107 WeakPolarHBondContact O-CA 3.35Å; F103-V107 VanDerWaalsContact O-CB 3.3Å; F103-V107 WeakPolarHBondContact O-CB 3.33Å; F103-V107 PolarHBondContact O-N 3.5Å; F103-G108 PolarHBondContact O-N 3.14Å; F103-G108 VanDerWaalsContact O-N 3.17Å
104H93.6Very high89.5Confident11 Ų1151.8 Ų51.85%0.05127%0.267CS..Hα-helixtrans-64.4-38.2-176.9-71.8100.2000112.6N100 H101 G108 D109 N110 T113N100-H104 PolarHBondContact O-N 2.93Å; N100-H104 PolarHBondContact O-ND1 2.9Å; N100-H104 PolarHBondContact OD1-CE1 3.48Å; H101-H104 PolarHBondContact O-N 2.81Å; H104-G108 CarbonylContact O-C 2.95Å; H104-G108 WeakPolarHBondContact O-CA 3.38Å; H104-G108 PolarHBondContact O-N 3.38Å; H104-D109 PolarHBondContact O-N 2.82Å; H104-N110 CarbonylContact C-O 3.49Å; H104-N110 PolarHBondContact O-N 3.47Å; H104-T113 WeakPolarHBondContact CB-OG1 3.48Å; H104-T113 WeakPolarHBondContact CD2-CB 3.45Å; H104-T113 WeakPolarHBondContact CD2-CG2 3.41Å; H104-T113 PolarHBondContact CD2-OG1 2.78Å; H104-T113 VanDerWaalsContact CG-CB 3.47Å
105R92.9Very high89.5Confident116 Ų11649 Ų4944%0.43824%0.243SC..Hα-helixtrans-64.6-55.2175.4-171.6-170.968.2-165.7-4.7112.4H101 F103 D109 N110H101-R105 WeakPolarHBondContact O-CB 3.29Å; H101-R105 PolarHBondContact O-N 2.79Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.21Å; R105-D109 WeakPolarHBondContact O-CA 3.38Å; R105-D109 PolarHBondContact O-N 3.41Å; R105-N110 WeakPolarHBondContact CA-O 3.32Å; R105-N110 PolarHBondContact N-O 2.89Å
106D93.7Very high89.6Confident25 Ų2547.8 Ų47.813%0.13424%0.236CC..Hα-helixtrans-93.5-33-164-59.4-38.6000113.1F60 V64 R68 R102 F103F60-D106 HydrophobicContact CE1-CB 3.83Å; F60-D106 HydrophobicContact CZ-CB 4.41Å; V64-D106 HydrophobicContact CG1-CB 4.16Å; V64-D106 WeakPolarHBondContact CG1-O 3.3Å; V64-D106 HydrophobicContact CG2-CB 3.81Å; R68-D106 PolarHBondContact NH2-O 3.27Å; R102-D106 WeakPolarHBondContact O-CB 3.32Å; R102-D106 PolarHBondContact O-N 3.02Å; F103-D106 PolarHBondContact O-N 3.27Å
107V93.2Very high89.8Confident8 Ų844.6 Ų44.65%0.04822%0.218CC..THydrogen-bonded Turntrans-92.9-41.4176.4-176.80000111I48 L49 F60 V64 F67 T82 F103I48-V107 HydrophobicContact CD1-CG1 3.79Å; I48-V107 HydrophobicContact CG2-CG1 4.24Å; L49-V107 HydrophobicContact CD1-CG2 4.29Å; F60-V107 HydrophobicContact CZ-CG2 4.18Å; V64-V107 HydrophobicContact CG2-CG2 3.89Å; F67-V107 HydrophobicContact CD1-CG1 3.98Å; F67-V107 HydrophobicContact CD2-CG1 4.48Å; F67-V107 HydrophobicContact CE1-CG1 3.78Å; F67-V107 WeakPolarHBondContact CE1-O 3.49Å; F67-V107 HydrophobicContact CE2-CG1 4.32Å; F67-V107 HydrophobicContact CG-CG1 4.33Å; F67-V107 HydrophobicContact CZ-CG1 3.97Å; T82-V107 HydrophobicContact CG2-CG1 4.44Å; F103-V107 HydrophobicContact CD2-CB 4.03Å; F103-V107 HydrophobicContact CD2-CG1 4.42Å; F103-V107 HydrophobicContact CD2-CG2 3.91Å; F103-V107 HydrophobicContact CE2-CB 3.95Å; F103-V107 HydrophobicContact CE2-CG1 3.84Å; F103-V107 HydrophobicContact CE2-CG2 4.08Å; F103-V107 HydrophobicContact CZ-CB 4.34Å; F103-V107 HydrophobicContact CZ-CG1 4.06Å; F103-V107 WeakPolarHBondContact O-CA 3.35Å; F103-V107 VanDerWaalsContact O-CB 3.3Å; F103-V107 WeakPolarHBondContact O-CB 3.33Å; F103-V107 PolarHBondContact O-N 3.5Å
108G86.5Confident90.1Very high12 Ų1237.3 Ų37.312%0.12418%0.184CC..THydrogen-bonded Turntrans-80.9-13.5-179.200000115.5T82 F103 H104 N110T82-G108 WeakPolarHBondContact OG1-CA 3.4Å; F103-G108 PolarHBondContact O-N 3.14Å; F103-G108 VanDerWaalsContact O-N 3.17Å; H104-G108 CarbonylContact O-C 2.95Å; H104-G108 WeakPolarHBondContact O-CA 3.38Å; H104-G108 PolarHBondContact O-N 3.38Å; G108-N110 PolarHBondContact O-N 2.91Å; G108-N110 PolarHBondContact O-ND2 2.93Å
109D84.5Confident90.2Very high107 Ų10732.7 Ų32.757%0.57216%0.164SC*.  trans57.928.6-173.5-151.219.3000112.4K75 H104 R105K75-D109 IonicContact NZ-OD2 2.66Å; K75-D109 PolarHBondContact NZ-OD2 3.37Å; H104-D109 PolarHBondContact O-N 2.82Å; R105-D109 WeakPolarHBondContact O-CA 3.38Å; R105-D109 PolarHBondContact O-N 3.41Å
110N78.7Confident90.3Very high39 Ų3932.5 Ų32.521%0.20916%0.163CC..  trans-115.8121.6-177.8-63-42.9000110.3H104 R105 G108 Y112 T113H104-N110 CarbonylContact C-O 3.49Å; H104-N110 PolarHBondContact O-N 3.47Å; R105-N110 WeakPolarHBondContact CA-O 3.32Å; R105-N110 PolarHBondContact N-O 2.89Å; G108-N110 PolarHBondContact O-N 2.91Å; G108-N110 PolarHBondContact O-ND2 2.93Å; N110-Y112 PolarHBondContact O-N 2.96Å; N110-T113 WeakPolarHBondContact CB-OG1 3.18Å; N110-T113 PolarHBondContact ND2-OG1 2.86Å; N110-T113 VanDerWaalsContact ND2-OG1 3.14Å
111V71.1Confident90.4Very high132 Ų13233.8 Ų33.880%0.817%0.168SC*.SBendtrans-57.5-39.7177.7179.40000111.5
112Y77.3Confident90.4Very high80 Ų8036.1 Ų36.131%0.31418%0.178SC..  trans-139.2137.4172.3-173.6-93.2000108.9N110 P114 F183 P184N110-Y112 PolarHBondContact O-N 2.96Å; Y112-P114 HydrophobicContact CD1-CG 4.42Å; Y112-P114 HydrophobicContact CE1-CB 4.14Å; Y112-P114 HydrophobicContact CE1-CG 4.15Å; Y112-F183 HydrophobicContact CE1-CD2 4.09Å; Y112-F183 HydrophobicContact CE1-CE2 4.47Å; Y112-P184 HydrophobicContact CD1-CG 4.37Å
113T80Confident90.4Very high9 Ų936.5 Ų36.56%0.05519%0.185CC..  trans-131.7117.6169.7-54.30000108.8H104 N110 Y117H104-T113 WeakPolarHBondContact CB-OG1 3.48Å; H104-T113 WeakPolarHBondContact CD2-CB 3.45Å; H104-T113 WeakPolarHBondContact CD2-CG2 3.41Å; H104-T113 PolarHBondContact CD2-OG1 2.78Å; H104-T113 VanDerWaalsContact CG-CB 3.47Å; N110-T113 WeakPolarHBondContact CB-OG1 3.18Å; N110-T113 PolarHBondContact ND2-OG1 2.86Å; N110-T113 VanDerWaalsContact ND2-OG1 3.14Å; T113-Y117 HydrophobicContact CG2-CD1 3.59Å; T113-Y117 HydrophobicContact CG2-CE1 3.21Å
114P91.4Very high90.4Very high3 Ų338.9 Ų38.92%0.01920%0.197CC..  trans-66158.6175.34.16.7000110.4Y112 I116 I148 P184Y112-P114 HydrophobicContact CD1-CG 4.42Å; Y112-P114 HydrophobicContact CE1-CB 4.14Å; Y112-P114 HydrophobicContact CE1-CG 4.15Å; P114-I116 PolarHBondContact O-N 3.45Å; P114-I148 HydrophobicContact CB-CD1 3.42Å; P114-I148 VanDerWaalsContact CB-CD1 3.42Å; P114-I148 HydrophobicContact CG-CD1 4.41Å; P114-P184 WeakPolarHBondContact CD-O 3.35Å; P114-P184 VanDerWaalsContact CG-O 3.25Å; P114-P184 WeakPolarHBondContact CG-O 3.29Å
115P94.5Very high90.6Very high5 Ų538.3 Ų38.33%0.03219%0.194CC..SBendtrans-62.4-16.2179.925.7-35.5000113.9N130 A133 L141 K144 A145P115-N130 WeakPolarHBondContact O-CB 3.32Å; P115-N130 PolarHBondContact O-N 3.17Å; P115-A133 HydrophobicContact CB-CB 3.75Å; P115-L141 HydrophobicContact CB-CD1 3.8Å; P115-L141 HydrophobicContact CB-CG 4.45Å; P115-L141 HydrophobicContact CG-CD1 4.36Å; P115-K144 HydrophobicContact CG-CB 3.87Å; P115-A145 HydrophobicContact CB-CB 3.95Å; P115-A145 HydrophobicContact CG-CB 3.91Å
116I97.1Very high90.8Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-148139.5166.7-174.7167.5000108.2P114 V127 I128 A129 F134 A145 I148 L149 I152 L249P114-I116 PolarHBondContact O-N 3.45Å; I116-V127 HydrophobicContact CD1-CG1 3.62Å; I116-V127 HydrophobicContact CG1-CG1 3.67Å; I116-I128 VanDerWaalsContact CA-O 3.28Å; I116-I128 WeakPolarHBondContact CA-O 3.49Å; I116-A129 HydrophobicContact CD1-CB 4.04Å; I116-A129 HydrophobicContact CG1-CB 4.12Å; I116-F134 HydrophobicContact CB-CZ 4.5Å; I116-F134 HydrophobicContact CD1-CE2 4.46Å; I116-F134 HydrophobicContact CD1-CZ 3.84Å; I116-A145 HydrophobicContact CG2-CB 4.46Å; I116-A145 WeakPolarHBondContact CG2-O 2.9Å; I116-I148 HydrophobicContact CG2-CB 3.81Å; I116-I148 HydrophobicContact CG2-CG2 3.84Å; I116-I148 VanDerWaalsContact O-CG2 3.25Å; I116-I148 WeakPolarHBondContact O-CG2 3.36Å; I116-L149 HydrophobicContact CD1-CB 4.37Å; I116-L149 HydrophobicContact CD1-CD1 3.91Å; I116-L149 HydrophobicContact CG2-CB 4.49Å; I116-I152 HydrophobicContact CG1-CD1 4.14Å; I116-I152 HydrophobicContact CG2-CD1 4.49Å; I116-L249 HydrophobicContact CD1-CD2 4.36Å
117Y96.9Very high91.1Very high11 Ų1132.7 Ų32.74%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-149.4155.8177.364.6-81.3000111.4T113 W119 V127 I128 Y185T113-Y117 HydrophobicContact CG2-CD1 3.59Å; T113-Y117 HydrophobicContact CG2-CE1 3.21Å; Y117-W119 HydrophobicContact CD2-CB 4.44Å; Y117-W119 HydrophobicContact CE2-CB 4.28Å; Y117-V127 CarbonylContact O-C 3.57Å; Y117-V127 WeakPolarHBondContact O-CA 3.33Å; Y117-I128 HydrophobicContact CD1-CB 4.04Å; Y117-I128 HydrophobicContact CD1-CG2 4.23Å; Y117-I128 HydrophobicContact CD2-CB 4.47Å; Y117-I128 HydrophobicContact CE1-CB 3.54Å; Y117-I128 HydrophobicContact CE1-CD1 4.35Å; Y117-I128 HydrophobicContact CE1-CG2 3.4Å; Y117-I128 VanDerWaalsContact CE1-CG2 3.4Å; Y117-I128 HydrophobicContact CE2-CB 4.04Å; Y117-I128 HydrophobicContact CE2-CD1 3.6Å; Y117-I128 HydrophobicContact CE2-CG1 4.28Å; Y117-I128 HydrophobicContact CG-CB 4.48Å; Y117-I128 VanDerWaalsContact CZ-CD1 3.46Å; Y117-I128 PolarHBondContact N-O 2.73Å; Y117-I128 PolarHBondContact O-N 3.06Å; Y117-I128 WeakPolarHBondContact OH-CD1 3.37Å; Y117-Y185 WeakPolarHBondContact CA-O 3.34Å
118L97.7Very high91.3Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-97.2134.4172.9-178.1147.7000109.2H125 F126 I152 Y155 L156 Y185 I186 D187 V188L118-H125 HydrophobicContact CD1-CB 4.2Å; L118-H125 HydrophobicContact CG-CB 4.49Å; L118-F126 CarbonylContact C-O 3.52Å; L118-F126 WeakPolarHBondContact CA-O 3.41Å; L118-I152 HydrophobicContact CB-CD1 4.27Å; L118-I152 HydrophobicContact CB-CG1 4.22Å; L118-I152 HydrophobicContact CB-CG2 4.1Å; L118-I152 HydrophobicContact CD1-CG2 3.87Å; L118-Y155 HydrophobicContact CD1-CD1 4.1Å; L118-Y155 HydrophobicContact CD1-CE1 4.28Å; L118-Y155 HydrophobicContact CD2-CE1 4.2Å; L118-L156 HydrophobicContact CD1-CD1 4.26Å; L118-L156 HydrophobicContact CD1-CD2 3.72Å; L118-L156 HydrophobicContact CD1-CG 3.93Å; L118-Y185 PolarHBondContact N-O 3.23Å; L118-I186 HydrophobicContact CB-CG1 4.31Å; L118-I186 HydrophobicContact CD2-CG2 4.21Å; L118-D187 PolarHBondContact O-N 3.42Å; L118-V188 HydrophobicContact CD2-CG1 4.31Å
119W96.2Very high91.8Very high9 Ų932 Ų323%0.03416%0.164CC..EExtended strand (participates in β ladder)trans-127120.7172.9165.952000109A41 I43 L79 K81 Y117 F121 F126 I128 D187A41-W119 HydrophobicContact CB-CH2 4.26Å; I43-W119 HydrophobicContact CD1-CZ3 4.48Å; I43-W119 HydrophobicContact CG1-CZ3 4.49Å; L79-W119 HydrophobicContact CD2-CH2 3.9Å; L79-W119 HydrophobicContact CD2-CZ2 3.15Å; K81-W119 HydrophobicContact CB-CZ3 4.38Å; K81-W119 HydrophobicContact CD-CD2 4.38Å; K81-W119 HydrophobicContact CG-CD2 4.15Å; K81-W119 HydrophobicContact CG-CE3 3.93Å; K81-W119 HydrophobicContact CG-CH2 3.99Å; K81-W119 HydrophobicContact CG-CZ2 4.2Å; K81-W119 HydrophobicContact CG-CZ3 3.84Å; Y117-W119 HydrophobicContact CD2-CB 4.44Å; Y117-W119 HydrophobicContact CE2-CB 4.28Å; W119-F121 HydrophobicContact CD2-CB 4.35Å; W119-F121 HydrophobicContact CH2-CB 3.82Å; W119-F121 HydrophobicContact CH2-CD1 4.09Å; W119-F121 AromaticContact CH2-CG 3.92Å; W119-F121 HydrophobicContact CH2-CG 3.92Å; W119-F121 HydrophobicContact CZ2-CB 3.21Å; W119-F121 AromaticContact CZ2-CD1 3.96Å; W119-F121 HydrophobicContact CZ2-CD1 3.96Å; W119-F121 AromaticContact CZ2-CD2 3.64Å; W119-F121 HydrophobicContact CZ2-CD2 3.64Å; W119-F121 HydrophobicContact CZ2-CE2 4.45Å; W119-F121 AromaticContact CZ2-CG 3.33Å; W119-F121 HydrophobicContact CZ2-CG 3.33Å; W119-F126 HydrophobicContact CD2-CD2 4.31Å; W119-F126 HydrophobicContact CE3-CB 3.79Å; W119-F126 AromaticContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CE2 4.49Å; W119-F126 AromaticContact CE3-CG 3.85Å; W119-F126 HydrophobicContact CE3-CG 3.85Å; W119-F126 HydrophobicContact CH2-CD2 4.36Å; W119-F126 HydrophobicContact CH2-CE2 4.42Å; W119-F126 HydrophobicContact CZ3-CB 4.39Å; W119-F126 AromaticContact CZ3-CD2 3.71Å; W119-F126 HydrophobicContact CZ3-CD2 3.71Å; W119-F126 HydrophobicContact CZ3-CE2 4.1Å; W119-F126 AromaticContact CZ3-CG 3.99Å; W119-F126 HydrophobicContact CZ3-CG 3.99Å; W119-F126 PolarHBondContact N-O 3.19Å; W119-F126 WeakPolarHBondContact O-CB 3.46Å; W119-F126 PolarHBondContact O-N 3.49Å; W119-I128 HydrophobicContact CB-CD1 4.5Å; W119-I128 HydrophobicContact CE3-CD1 4.17Å; W119-D187 CarbonylContact C-O 3.4Å; W119-D187 WeakPolarHBondContact CA-O 3.48Å; W119-D187 HydrophobicContact CB-CB 4.43Å; W119-D187 VanDerWaalsContact CD1-OD2 3.32Å
120S96.8Very high92.4Very high7 Ų727 Ų275%0.04914%0.138CC..EExtended strand (participates in β ladder)trans-95130.3174.8-69.40000110.8I124 H125 D187S120-I124 WeakPolarHBondContact CA-O 3.37Å; S120-H125 PolarHBondContact OG-CE1 3.33Å; S120-H125 PolarHBondContact OG-ND1 2.91Å; S120-D187 PolarHBondContact N-O 2.99Å
121F94.9Very high93.4Very high47 Ų4725.3 Ų25.321%0.20613%0.129CC..EExtended strand (participates in β ladder)trans-146.9123.2176.8-174.7-107.6000110.8N40 A41 L79 W119 G123 I124 F126N40-F121 HydrophobicContact CB-CE1 4.07Å; N40-F121 HydrophobicContact CB-CZ 4.07Å; A41-F121 HydrophobicContact CB-CD1 4.37Å; A41-F121 HydrophobicContact CB-CE1 3.85Å; A41-F121 HydrophobicContact CB-CZ 4.36Å; L79-F121 HydrophobicContact CD2-CD2 4.45Å; L79-F121 HydrophobicContact CD2-CE2 4.45Å; W119-F121 HydrophobicContact CD2-CB 4.35Å; W119-F121 HydrophobicContact CH2-CB 3.82Å; W119-F121 HydrophobicContact CH2-CD1 4.09Å; W119-F121 AromaticContact CH2-CG 3.92Å; W119-F121 HydrophobicContact CH2-CG 3.92Å; W119-F121 HydrophobicContact CZ2-CB 3.21Å; W119-F121 AromaticContact CZ2-CD1 3.96Å; W119-F121 HydrophobicContact CZ2-CD1 3.96Å; W119-F121 AromaticContact CZ2-CD2 3.64Å; W119-F121 HydrophobicContact CZ2-CD2 3.64Å; W119-F121 HydrophobicContact CZ2-CE2 4.45Å; W119-F121 AromaticContact CZ2-CG 3.33Å; W119-F121 HydrophobicContact CZ2-CG 3.33Å; F121-G123 VanDerWaalsContact C-N 3.29Å; F121-G123 PolarHBondContact O-N 3.38Å; F121-I124 PolarHBondContact N-O 3.36Å; F121-I124 WeakPolarHBondContact O-CB 3.46Å; F121-I124 PolarHBondContact O-N 3.01Å; F121-F126 HydrophobicContact CB-CD2 4.41Å; F121-F126 HydrophobicContact CB-CE2 4.14Å
122F92.4Very high94.6Very high128 Ų12819.3 Ų19.356%0.5619%0.092SC*.THydrogen-bonded Turntrans48.649.6-177.3-69.4-5.5000112.7N40 I124N40-F122 HydrophobicContact CB-CE2 3.98Å; F122-I124 PolarHBondContact O-N 3.23Å; F122-I124 VanDerWaalsContact O-N 3.16Å
123G93.1Very high95.6Very high18 Ų1815.5 Ų15.519%0.1868%0.078CC..THydrogen-bonded Turntrans69.46.3179.500000115.6F121 S194 S199F121-G123 VanDerWaalsContact C-N 3.29Å; F121-G123 PolarHBondContact O-N 3.38Å; G123-S194 WeakPolarHBondContact CA-O 3.16Å; G123-S194 PolarHBondContact N-OG 2.96Å; G123-S199 PolarHBondContact O-OG 3.38Å; G123-S199 VanDerWaalsContact O-OG 3.08Å
124I95.9Very high96.5Very high49 Ų4915.4 Ų15.425%0.2518%0.076SC..EExtended strand (participates in β ladder)trans-103.5127.5175.9-56.8174.4000109S120 F121 F122 F126 V202 R256S120-I124 WeakPolarHBondContact CA-O 3.37Å; F121-I124 PolarHBondContact N-O 3.36Å; F121-I124 WeakPolarHBondContact O-CB 3.46Å; F121-I124 PolarHBondContact O-N 3.01Å; F122-I124 PolarHBondContact O-N 3.23Å; F122-I124 VanDerWaalsContact O-N 3.16Å; I124-F126 HydrophobicContact CB-CD2 4.35Å; I124-F126 HydrophobicContact CB-CE2 3.65Å; I124-F126 HydrophobicContact CB-CZ 3.97Å; I124-F126 HydrophobicContact CD1-CZ 4.34Å; I124-F126 HydrophobicContact CG2-CD1 4.4Å; I124-F126 HydrophobicContact CG2-CD2 3.96Å; I124-F126 HydrophobicContact CG2-CE1 3.96Å; I124-F126 HydrophobicContact CG2-CE2 3.45Å; I124-F126 VanDerWaalsContact CG2-CE2 3.45Å; I124-F126 HydrophobicContact CG2-CG 4.41Å; I124-F126 HydrophobicContact CG2-CZ 3.46Å; I124-F126 VanDerWaalsContact CG2-CZ 3.46Å; I124-V202 HydrophobicContact CG2-CG2 4.02Å; I124-R256 VanDerWaalsContact CG1-NH2 3.34Å
125H97.8Very high96.7Very high0 Ų016.2 Ų16.20%08%0.08CC..EExtended strand (participates in β ladder)trans-88.4116.4170.5-51.8-47.7000110.1L118 S120 L156 S195 V197 S199 P201 V202L118-H125 HydrophobicContact CD1-CB 4.2Å; L118-H125 HydrophobicContact CG-CB 4.49Å; S120-H125 PolarHBondContact OG-CE1 3.33Å; S120-H125 PolarHBondContact OG-ND1 2.91Å; H125-L156 HydrophobicContact CB-CD2 4.17Å; H125-S195 PolarHBondContact CE1-O 2.9Å; H125-V197 PolarHBondContact NE2-O 3.06Å; H125-S199 PolarHBondContact CD2-O 2.9Å; H125-S199 PolarHBondContact CD2-OG 3.04Å; H125-S199 PolarHBondContact N-OG 2.78Å; H125-P201 HydrophobicContact CB-CB 4.35Å; H125-P201 CarbonylContact O-C 3.58Å; H125-P201 WeakPolarHBondContact O-CA 3.25Å; H125-V202 PolarHBondContact O-N 2.75Å
126F98.1Very high96.7Very high22 Ų2218.7 Ų18.710%0.09611%0.106CC..EExtended strand (participates in β ladder)trans-98.9133.2170.3-61.7-87.1000109I43 L118 W119 F121 I124 V202 L204I43-F126 HydrophobicContact CD1-CE1 4.29Å; L118-F126 CarbonylContact C-O 3.52Å; L118-F126 WeakPolarHBondContact CA-O 3.41Å; W119-F126 HydrophobicContact CD2-CD2 4.31Å; W119-F126 HydrophobicContact CE3-CB 3.79Å; W119-F126 AromaticContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CD2 3.67Å; W119-F126 HydrophobicContact CE3-CE2 4.49Å; W119-F126 AromaticContact CE3-CG 3.85Å; W119-F126 HydrophobicContact CE3-CG 3.85Å; W119-F126 HydrophobicContact CH2-CD2 4.36Å; W119-F126 HydrophobicContact CH2-CE2 4.42Å; W119-F126 HydrophobicContact CZ3-CB 4.39Å; W119-F126 AromaticContact CZ3-CD2 3.71Å; W119-F126 HydrophobicContact CZ3-CD2 3.71Å; W119-F126 HydrophobicContact CZ3-CE2 4.1Å; W119-F126 AromaticContact CZ3-CG 3.99Å; W119-F126 HydrophobicContact CZ3-CG 3.99Å; W119-F126 PolarHBondContact N-O 3.19Å; W119-F126 WeakPolarHBondContact O-CB 3.46Å; W119-F126 PolarHBondContact O-N 3.49Å; F121-F126 HydrophobicContact CB-CD2 4.41Å; F121-F126 HydrophobicContact CB-CE2 4.14Å; I124-F126 HydrophobicContact CB-CD2 4.35Å; I124-F126 HydrophobicContact CB-CE2 3.65Å; I124-F126 HydrophobicContact CB-CZ 3.97Å; I124-F126 HydrophobicContact CD1-CZ 4.34Å; I124-F126 HydrophobicContact CG2-CD1 4.4Å; I124-F126 HydrophobicContact CG2-CD2 3.96Å; I124-F126 HydrophobicContact CG2-CE1 3.96Å; I124-F126 HydrophobicContact CG2-CE2 3.45Å; I124-F126 VanDerWaalsContact CG2-CE2 3.45Å; I124-F126 HydrophobicContact CG2-CG 4.41Å; I124-F126 HydrophobicContact CG2-CZ 3.46Å; I124-F126 VanDerWaalsContact CG2-CZ 3.46Å; F126-V202 CarbonylContact C-O 3.55Å; F126-V202 WeakPolarHBondContact CA-O 3.42Å; F126-V202 HydrophobicContact CD1-CB 3.74Å; F126-V202 HydrophobicContact CD1-CG1 4.01Å; F126-V202 HydrophobicContact CD1-CG2 4.42Å; F126-V202 HydrophobicContact CE1-CB 4.02Å; F126-V202 HydrophobicContact CE1-CG1 4.16Å; F126-V202 HydrophobicContact CE1-CG2 4.26Å; F126-L204 HydrophobicContact CB-CD1 3.94Å; F126-L204 HydrophobicContact CB-CG 4.43Å; F126-L204 HydrophobicContact CD1-CD1 3.73Å; F126-L204 HydrophobicContact CD1-CD2 4.18Å; F126-L204 HydrophobicContact CD1-CG 4.05Å; F126-L204 HydrophobicContact CG-CD1 4.12Å
127V98.5Very high96.7Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-108.2108.2170.7179.10000107.4I116 Y117 I152 P201 V202 I203 L204 L253I116-V127 HydrophobicContact CD1-CG1 3.62Å; I116-V127 HydrophobicContact CG1-CG1 3.67Å; Y117-V127 CarbonylContact O-C 3.57Å; Y117-V127 WeakPolarHBondContact O-CA 3.33Å; V127-I152 HydrophobicContact CG2-CG2 4.14Å; V127-P201 HydrophobicContact CG2-CB 3.97Å; V127-V202 PolarHBondContact N-O 3.14Å; V127-I203 WeakPolarHBondContact O-CA 3.36Å; V127-L204 PolarHBondContact O-N 3.08Å; V127-L253 HydrophobicContact CB-CD1 4.17Å; V127-L253 HydrophobicContact CG1-CD1 3.8Å; V127-L253 HydrophobicContact CG2-CD1 4.24Å; V127-L253 HydrophobicContact CG2-CD2 4.25Å
128I97.8Very high96.6Very high5 Ų526.4 Ų26.43%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-91.3116.5179.3-65.8168.4000107.7K81 V83 I116 Y117 W119 L204K81-I128 HydrophobicContact CB-CD1 4.37Å; V83-I128 HydrophobicContact CG1-CG2 4.5Å; V83-I128 HydrophobicContact CG2-CG2 3.98Å; I116-I128 VanDerWaalsContact CA-O 3.28Å; I116-I128 WeakPolarHBondContact CA-O 3.49Å; Y117-I128 HydrophobicContact CD1-CB 4.04Å; Y117-I128 HydrophobicContact CD1-CG2 4.23Å; Y117-I128 HydrophobicContact CD2-CB 4.47Å; Y117-I128 HydrophobicContact CE1-CB 3.54Å; Y117-I128 HydrophobicContact CE1-CD1 4.35Å; Y117-I128 HydrophobicContact CE1-CG2 3.4Å; Y117-I128 VanDerWaalsContact CE1-CG2 3.4Å; Y117-I128 HydrophobicContact CE2-CB 4.04Å; Y117-I128 HydrophobicContact CE2-CD1 3.6Å; Y117-I128 HydrophobicContact CE2-CG1 4.28Å; Y117-I128 HydrophobicContact CG-CB 4.48Å; Y117-I128 VanDerWaalsContact CZ-CD1 3.46Å; Y117-I128 PolarHBondContact N-O 2.73Å; Y117-I128 PolarHBondContact O-N 3.06Å; Y117-I128 WeakPolarHBondContact OH-CD1 3.37Å; W119-I128 HydrophobicContact CB-CD1 4.5Å; W119-I128 HydrophobicContact CE3-CD1 4.17Å; I128-L204 WeakPolarHBondContact CA-O 3.44Å; I128-L204 HydrophobicContact CD1-CD1 4.17Å; I128-L204 HydrophobicContact CG1-CB 3.99Å; I128-L204 HydrophobicContact CG1-CD1 3.72Å; I128-L204 HydrophobicContact CG1-CG 4.31Å
129A98.1Very high96.5Very high0 Ų028.5 Ų28.50%016%0.163CC..EExtended strand (participates in β ladder)trans-118.4123.2-174.500000110.7I116 S131 F134 L204 Q205I116-A129 HydrophobicContact CD1-CB 4.04Å; I116-A129 HydrophobicContact CG1-CB 4.12Å; A129-S131 PolarHBondContact O-N 3.15Å; A129-S131 VanDerWaalsContact O-N 3.08Å; A129-F134 HydrophobicContact CB-CE2 3.96Å; A129-L204 PolarHBondContact N-O 2.93Å; A129-Q205 HydrophobicContact CB-CB 4.31Å
130N97.2Very high96.4Very high4 Ų433.3 Ų33.32%0.02119%0.189CC..  trans-68.7101.5164.6178.4-8000108V84 N100 P115 I132 A133 F134V84-N130 HydrophobicContact CG1-CB 3.71Å; V84-N130 WeakPolarHBondContact CG1-OD1 3.33Å; N100-N130 PolarHBondContact OD1-ND2 2.8Å; P115-N130 WeakPolarHBondContact O-CB 3.32Å; P115-N130 PolarHBondContact O-N 3.17Å; N130-I132 PolarHBondContact O-N 3.49Å; N130-I132 VanDerWaalsContact O-N 3.15Å; N130-I132 VanDerWaalsContact OD1-CB 3.27Å; N130-I132 WeakPolarHBondContact OD1-CB 3.16Å; N130-I132 VanDerWaalsContact OD1-CD1 3.29Å; N130-I132 WeakPolarHBondContact OD1-CD1 3.38Å; N130-I132 PolarHBondContact OD1-N 3.37Å; N130-A133 HydrophobicContact CB-CB 4.29Å; N130-A133 VanDerWaalsContact O-CB 3.27Å; N130-A133 WeakPolarHBondContact O-CB 3.32Å; N130-A133 PolarHBondContact O-N 2.8Å; N130-F134 WeakPolarHBondContact O-CD2 3.22Å
131S98.2Very high96.3Very high3 Ų334.6 Ų34.62%0.02120%0.195CC..G310 helixtrans-61.6-22.9-178.546.50000113.6A129 A133 F134 F207A129-S131 PolarHBondContact O-N 3.15Å; A129-S131 VanDerWaalsContact O-N 3.08Å; S131-A133 PolarHBondContact O-N 3.49Å; S131-F134 PolarHBondContact O-N 2.97Å; S131-F207 PolarHBondContact OG-N 3.45Å; S131-F207 VanDerWaalsContact OG-N 3.13Å
132I97.8Very high96.3Very high5 Ų532.3 Ų32.33%0.02619%0.185CC..G310 helixtrans-69.6-20.1175.1-59.1109.6000111.7I89 H92 T95 N130 F134I89-I132 HydrophobicContact CD1-CD1 4.1Å; I89-I132 HydrophobicContact CG1-CD1 4.09Å; H92-I132 HydrophobicContact CB-CG2 4.2Å; H92-I132 PolarHBondContact ND1-O 3.13Å; T95-I132 HydrophobicContact CG2-CG2 3.71Å; N130-I132 PolarHBondContact O-N 3.49Å; N130-I132 VanDerWaalsContact O-N 3.15Å; N130-I132 VanDerWaalsContact OD1-CB 3.27Å; N130-I132 WeakPolarHBondContact OD1-CB 3.16Å; N130-I132 VanDerWaalsContact OD1-CD1 3.29Å; N130-I132 WeakPolarHBondContact OD1-CD1 3.38Å; N130-I132 PolarHBondContact OD1-N 3.37Å; I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 2.95Å
133A97.5Very high96.6Very high0 Ų032 Ų320%018%0.184CC..G310 helixtrans-82.32.7176.400000114.2P115 N130 S131 L141 C142 A145P115-A133 HydrophobicContact CB-CB 3.75Å; N130-A133 HydrophobicContact CB-CB 4.29Å; N130-A133 VanDerWaalsContact O-CB 3.27Å; N130-A133 WeakPolarHBondContact O-CB 3.32Å; N130-A133 PolarHBondContact O-N 2.8Å; S131-A133 PolarHBondContact O-N 3.49Å; A133-L141 HydrophobicContact CB-CD1 4.36Å; A133-L141 HydrophobicContact CB-CD2 3.96Å; A133-L141 HydrophobicContact CB-CG 3.69Å; A133-C142 VanDerWaalsContact O-CA 3.31Å; A133-C142 WeakPolarHBondContact O-CA 3.22Å; A133-C142 PolarHBondContact O-SG 3.49Å; A133-C142 VanDerWaalsContact O-SG 3.33Å; A133-A145 HydrophobicContact CB-CB 3.75Å
134F97.9Very high96.7Very high7 Ų734.4 Ų34.43%0.03119%0.189CC..  trans-111.636.3-177.5-71.2-85.6000112.8I116 A129 N130 S131 I132 A145 L149 L241 A245 L249I116-F134 HydrophobicContact CB-CZ 4.5Å; I116-F134 HydrophobicContact CD1-CE2 4.46Å; I116-F134 HydrophobicContact CD1-CZ 3.84Å; A129-F134 HydrophobicContact CB-CE2 3.96Å; N130-F134 WeakPolarHBondContact O-CD2 3.22Å; S131-F134 PolarHBondContact O-N 2.97Å; I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 2.95Å; F134-A145 HydrophobicContact CE2-CB 4.39Å; F134-A145 HydrophobicContact CZ-CB 4.17Å; F134-L149 HydrophobicContact CE1-CD2 4.23Å; F134-L241 HydrophobicContact CB-CD2 4.12Å; F134-A245 HydrophobicContact CB-CB 3.87Å; F134-L249 HydrophobicContact CD1-CD2 4.46Å; F134-L249 HydrophobicContact CD1-CG 4.5Å; F134-L249 HydrophobicContact CE1-CD2 3.78Å; F134-L249 HydrophobicContact CE1-CG 4.27Å; F134-L249 HydrophobicContact CZ-CD2 3.84Å
135E96.8Very high96.7Very high21 Ų2132.1 Ų32.110%0.09818%0.177CC..SBendtrans-71-32178.4-174.265.1-156.800112.9H92 K237H92-E135 HydrophobicContact CB-CB 4.21Å; H92-E135 HydrophobicContact CB-CG 4.12Å; H92-E135 VanDerWaalsContact CD2-CG 3.45Å; H92-E135 WeakPolarHBondContact CD2-CG 3.41Å; H92-E135 VanDerWaalsContact CG-CB 3.45Å; H92-E135 IonicContact CG-OE2 3.12Å; H92-E135 VanDerWaalsContact ND1-CB 3.35Å; H92-E135 WeakPolarHBondContact ND1-CB 3.45Å; E135-K237 VanDerWaalsContact O-CE 3.29Å; E135-K237 WeakPolarHBondContact O-CE 3.29Å; E135-K237 PolarHBondContact O-NZ 2.85Å; E135-K237 WeakPolarHBondContact OE1-CD 3.46Å; E135-K237 VanDerWaalsContact OE1-CE 3.32Å; E135-K237 WeakPolarHBondContact OE1-CE 3.43Å; E135-K237 IonicContact OE1-NZ 3.03Å; E135-K237 PolarHBondContact OE1-NZ 3.29Å
136G94.7Very high96.7Very high56 Ų5633.2 Ų33.258%0.57718%0.183SC*.SBendtrans86.616.1177.200000115.3
137D96.2Very high96.7Very high59 Ų5937 Ų3732%0.31620%0.199SC..SBendtrans-98.25.5-179.867.4-3.8000114.5H92 Y93 C139 C142H92-D137 IonicContact CD2-OD2 2.78Å; H92-D137 IonicContact CE1-OD1 3.92Å; H92-D137 IonicContact NE2-OD1 3.23Å; H92-D137 PolarHBondContact NE2-OD1 2.85Å; H92-D137 IonicContact NE2-OD2 3.84Å; H92-D137 PolarHBondContact NE2-OD2 2.62Å; H92-D137 VanDerWaalsContact NE2-OD2 3.12Å; Y93-D137 WeakPolarHBondContact CE1-OD2 3.22Å; Y93-D137 PolarHBondContact OH-OD2 3.22Å; Y93-D137 VanDerWaalsContact OH-OD2 3.13Å; D137-C139 PolarHBondContact O-N 2.91Å; D137-C139 PolarHBondContact OD1-N 2.95Å; D137-C142 PolarHBondContact OD1-SG 3.13Å; D137-C142 VanDerWaalsContact OD1-SG 3.37Å
138N94.8Very high96.6Very high114 Ų11437 Ų3761%0.6120%0.2SC*.  trans58.423-179.9-61.6-44.2000115.1
139C95.5Very high96.6Very high45 Ų4536.8 Ų36.830%0.30420%0.199SC..  trans-59166.9165.680.80000110.8H92 D137 L141 C142 F143H92-C139 PolarHBondContact CE1-SG 2.85Å; H92-C139 PolarHBondContact NE2-SG 3.45Å; D137-C139 PolarHBondContact O-N 2.91Å; D137-C139 PolarHBondContact OD1-N 2.95Å; C139-L141 VanDerWaalsContact C-N 3.26Å; C139-L141 PolarHBondContact O-N 2.86Å; C139-L141 VanDerWaalsContact O-N 3.15Å; C139-C142 WeakPolarHBondContact O-CB 3.37Å; C139-C142 PolarHBondContact O-N 2.85Å; C139-F143 WeakPolarHBondContact O-CB 3.48Å; C139-F143 PolarHBondContact O-N 2.88Å
140D94.2Very high96.6Very high110 Ų11045.3 Ų45.359%0.58823%0.231SC*.Hα-helixtrans-55.5-40.1-171.8-136.360.2000113.2K144D140-K144 WeakPolarHBondContact O-CB 3.4Å; D140-K144 WeakPolarHBondContact O-CD 3.4Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.19Å; D140-K144 PolarHBondContact O-N 2.76Å; D140-K144 WeakPolarHBondContact OD2-CE 3.14Å; D140-K144 IonicContact OD2-NZ 3.73Å; D140-K144 PolarHBondContact OD2-NZ 3.08Å
141L94.4Very high96.6Very high33 Ų3345.9 Ų45.917%0.17323%0.234CC..Hα-helixtrans-65.1-47.6175.6-174.769.8000111.8T95 P115 A133 C139 K144 A145T95-L141 HydrophobicContact CG2-CD2 4.38Å; P115-L141 HydrophobicContact CB-CD1 3.8Å; P115-L141 HydrophobicContact CB-CG 4.45Å; P115-L141 HydrophobicContact CG-CD1 4.36Å; A133-L141 HydrophobicContact CB-CD1 4.36Å; A133-L141 HydrophobicContact CB-CD2 3.96Å; A133-L141 HydrophobicContact CB-CG 3.69Å; C139-L141 VanDerWaalsContact C-N 3.26Å; C139-L141 PolarHBondContact O-N 2.86Å; C139-L141 VanDerWaalsContact O-N 3.15Å; L141-K144 PolarHBondContact O-N 3.25Å; L141-A145 PolarHBondContact O-N 3Å
142C96.4Very high96.6Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-63.3-42.2177.9-70.90000112.1H92 A133 D137 C139 A145 N146H92-C142 PolarHBondContact CE1-SG 2.84Å; A133-C142 VanDerWaalsContact O-CA 3.31Å; A133-C142 WeakPolarHBondContact O-CA 3.22Å; A133-C142 PolarHBondContact O-SG 3.49Å; A133-C142 VanDerWaalsContact O-SG 3.33Å; D137-C142 PolarHBondContact OD1-SG 3.13Å; D137-C142 VanDerWaalsContact OD1-SG 3.37Å; C139-C142 WeakPolarHBondContact O-CB 3.37Å; C139-C142 PolarHBondContact O-N 2.85Å; C142-A145 PolarHBondContact O-N 3.12Å; C142-N146 WeakPolarHBondContact O-CB 3.33Å; C142-N146 VanDerWaalsContact O-CG 3.28Å; C142-N146 PolarHBondContact O-N 3.11Å; C142-N146 PolarHBondContact O-ND2 2.64Å
143F96.9Very high96.6Very high122 Ų12246.2 Ų46.254%0.53524%0.237SC..Hα-helixtrans-62-48.9178.2179.7-92.8000110.9C139 A145 N146 F147C139-F143 WeakPolarHBondContact O-CB 3.48Å; C139-F143 PolarHBondContact O-N 2.88Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.35Å; F143-N146 PolarHBondContact O-N 3.45Å; F143-F147 WeakPolarHBondContact O-CB 3.4Å; F143-F147 PolarHBondContact O-N 3.03Å
144K95.3Very high96.6Very high68 Ų6850.1 Ų50.130%0.29625%0.252SS..Hα-helixtrans-58.6-44.2176-74.9166.1175.9154.20111.4P115 D140 L141 F147 I148P115-K144 HydrophobicContact CG-CB 3.87Å; D140-K144 WeakPolarHBondContact O-CB 3.4Å; D140-K144 WeakPolarHBondContact O-CD 3.4Å; D140-K144 VanDerWaalsContact O-CG 3.3Å; D140-K144 WeakPolarHBondContact O-CG 3.19Å; D140-K144 PolarHBondContact O-N 2.76Å; D140-K144 WeakPolarHBondContact OD2-CE 3.14Å; D140-K144 IonicContact OD2-NZ 3.73Å; D140-K144 PolarHBondContact OD2-NZ 3.08Å; L141-K144 PolarHBondContact O-N 3.25Å; K144-F147 PolarHBondContact O-N 3.18Å; K144-I148 WeakPolarHBondContact O-CB 3.38Å; K144-I148 VanDerWaalsContact O-CG1 3.25Å; K144-I148 WeakPolarHBondContact O-CG1 3Å; K144-I148 PolarHBondContact O-N 3.35Å
145A96.9Very high96.6Very high0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-59.7-48.5176.500000112.2P115 I116 A133 F134 L141 C142 F143 F147 I148 L149P115-A145 HydrophobicContact CB-CB 3.95Å; P115-A145 HydrophobicContact CG-CB 3.91Å; I116-A145 HydrophobicContact CG2-CB 4.46Å; I116-A145 WeakPolarHBondContact CG2-O 2.9Å; A133-A145 HydrophobicContact CB-CB 3.75Å; F134-A145 HydrophobicContact CE2-CB 4.39Å; F134-A145 HydrophobicContact CZ-CB 4.17Å; L141-A145 PolarHBondContact O-N 3Å; C142-A145 PolarHBondContact O-N 3.12Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.35Å; A145-F147 VanDerWaalsContact C-N 3.34Å; A145-F147 PolarHBondContact O-N 3.23Å; A145-I148 PolarHBondContact O-N 3.19Å; A145-L149 VanDerWaalsContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CB 3.19Å; A145-L149 PolarHBondContact O-N 3.11Å
146N97.8Very high96.7Very high24 Ų2449.1 Ų49.113%0.12825%0.248CC..Hα-helixtrans-63.4-39.5178.9-75.9-32.7000112.8C142 F143 R150 Q248C142-N146 WeakPolarHBondContact O-CB 3.33Å; C142-N146 VanDerWaalsContact O-CG 3.28Å; C142-N146 PolarHBondContact O-N 3.11Å; C142-N146 PolarHBondContact O-ND2 2.64Å; F143-N146 PolarHBondContact O-N 3.45Å; N146-R150 WeakPolarHBondContact O-CG 3.44Å; N146-R150 PolarHBondContact O-N 2.89Å; N146-Q248 PolarHBondContact OD1-NE2 3.09Å; N146-Q248 PolarHBondContact OD1-OE1 3.3Å
147F97Very high96.8Very high100 Ų10050.6 Ų50.644%0.43924%0.243SC..Hα-helixtrans-64.4-51.5177.4179.3-105.5000111F143 K144 A145 L149 R150 L151F143-F147 WeakPolarHBondContact O-CB 3.4Å; F143-F147 PolarHBondContact O-N 3.03Å; K144-F147 PolarHBondContact O-N 3.18Å; A145-F147 VanDerWaalsContact C-N 3.34Å; A145-F147 PolarHBondContact O-N 3.23Å; F147-L149 PolarHBondContact O-N 3.04Å; F147-R150 WeakPolarHBondContact O-CB 3.28Å; F147-R150 PolarHBondContact O-N 3.48Å; F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD1 3.63Å; F147-L151 HydrophobicContact CE1-CG 4.39Å; F147-L151 HydrophobicContact CZ-CD1 4.12Å; F147-L151 PolarHBondContact O-N 2.69Å
148I97.2Very high96.9Very high1 Ų148.9 Ų48.91%0.00524%0.235CC..Hα-helixtrans-66.9-37-178.3-63.3170.7000111.7P114 I116 K144 A145 R150 L151 I152 F183 Y185P114-I148 HydrophobicContact CB-CD1 3.42Å; P114-I148 VanDerWaalsContact CB-CD1 3.42Å; P114-I148 HydrophobicContact CG-CD1 4.41Å; I116-I148 HydrophobicContact CG2-CB 3.81Å; I116-I148 HydrophobicContact CG2-CG2 3.84Å; I116-I148 VanDerWaalsContact O-CG2 3.25Å; I116-I148 WeakPolarHBondContact O-CG2 3.36Å; K144-I148 WeakPolarHBondContact O-CB 3.38Å; K144-I148 VanDerWaalsContact O-CG1 3.25Å; K144-I148 WeakPolarHBondContact O-CG1 3Å; K144-I148 PolarHBondContact O-N 3.35Å; A145-I148 PolarHBondContact O-N 3.19Å; I148-R150 PolarHBondContact O-N 2.9Å; I148-L151 WeakPolarHBondContact O-CB 3.29Å; I148-L151 PolarHBondContact O-N 3.27Å; I148-I152 HydrophobicContact CG2-CD1 3.83Å; I148-I152 HydrophobicContact CG2-CG1 4.17Å; I148-I152 WeakPolarHBondContact O-CG1 3.33Å; I148-I152 PolarHBondContact O-N 3.06Å; I148-F183 HydrophobicContact CD1-CE1 4.34Å; I148-F183 HydrophobicContact CD1-CE2 4.17Å; I148-F183 HydrophobicContact CD1-CZ 3.62Å; I148-F183 HydrophobicContact CG1-CE1 4.24Å; I148-F183 HydrophobicContact CG1-CZ 3.8Å; I148-Y185 VanDerWaalsContact CG2-CB 3.4Å; I148-Y185 HydrophobicContact CG2-CD2 4.12Å; I148-Y185 HydrophobicContact CG2-CG 3.91Å
149L98.4Very high97Very high1 Ų143.7 Ų43.71%0.00521%0.207CC..Hα-helixtrans-54-40.6174.2174.661.1000111.9I116 F134 A145 F147 I152 A153 Q248 L249 L253I116-L149 HydrophobicContact CD1-CB 4.37Å; I116-L149 HydrophobicContact CD1-CD1 3.91Å; I116-L149 HydrophobicContact CG2-CB 4.49Å; F134-L149 HydrophobicContact CE1-CD2 4.23Å; A145-L149 VanDerWaalsContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CB 3.19Å; A145-L149 PolarHBondContact O-N 3.11Å; F147-L149 PolarHBondContact O-N 3.04Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.35Å; L149-Q248 HydrophobicContact CD2-CG 3.86Å; L149-L249 HydrophobicContact CD1-CD2 4.27Å; L149-L249 HydrophobicContact CD2-CD2 4.16Å; L149-L253 HydrophobicContact CD1-CD1 3.83Å; L149-L253 HydrophobicContact CD1-CD2 3.78Å; L149-L253 HydrophobicContact CD1-CG 3.74Å
150R97.9Very high97Very high178 Ų17847.1 Ų47.167%0.67222%0.217SC*.Hα-helixtrans-67.5-37.4176.9-65.4174.9-168.4-1743.9112.1N146 F147 I148 R154N146-R150 WeakPolarHBondContact O-CG 3.44Å; N146-R150 PolarHBondContact O-N 2.89Å; F147-R150 WeakPolarHBondContact O-CB 3.28Å; F147-R150 PolarHBondContact O-N 3.48Å; I148-R150 PolarHBondContact O-N 2.9Å; R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 3.04Å
151L97.6Very high97.2Very high16 Ų1649 Ų498%0.08423%0.226CC..Hα-helixtrans-65.6-45.9176.2-58.8178.2000110.9F147 I148 R154 Y155 M177 Y185F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD1 3.63Å; F147-L151 HydrophobicContact CE1-CG 4.39Å; F147-L151 HydrophobicContact CZ-CD1 4.12Å; F147-L151 PolarHBondContact O-N 2.69Å; I148-L151 WeakPolarHBondContact O-CB 3.29Å; I148-L151 PolarHBondContact O-N 3.27Å; L151-R154 PolarHBondContact O-N 2.99Å; L151-Y155 WeakPolarHBondContact O-CB 3.45Å; L151-Y155 PolarHBondContact O-N 3.33Å; L151-M177 HydrophobicContact CD2-CE 4.37Å; L151-Y185 HydrophobicContact CB-CD2 4.17Å; L151-Y185 HydrophobicContact CB-CE2 3.63Å; L151-Y185 HydrophobicContact CD1-CD2 4.5Å; L151-Y185 HydrophobicContact CD1-CE1 4.01Å; L151-Y185 HydrophobicContact CD1-CE2 3.98Å; L151-Y185 HydrophobicContact CG-CE2 4.45Å
152I98.2Very high97.2Very high0 Ų049.1 Ų49.10%023%0.229CC..Hα-helixtrans-60.7-46.6175.9-67.8170.2000111I116 L118 V127 I148 L149 R154 Y155 L156 Y185 L253I116-I152 HydrophobicContact CG1-CD1 4.14Å; I116-I152 HydrophobicContact CG2-CD1 4.49Å; L118-I152 HydrophobicContact CB-CD1 4.27Å; L118-I152 HydrophobicContact CB-CG1 4.22Å; L118-I152 HydrophobicContact CB-CG2 4.1Å; L118-I152 HydrophobicContact CD1-CG2 3.87Å; V127-I152 HydrophobicContact CG2-CG2 4.14Å; I148-I152 HydrophobicContact CG2-CD1 3.83Å; I148-I152 HydrophobicContact CG2-CG1 4.17Å; I148-I152 WeakPolarHBondContact O-CG1 3.33Å; I148-I152 PolarHBondContact O-N 3.06Å; L149-I152 PolarHBondContact O-N 3.46Å; I152-R154 VanDerWaalsContact C-N 3.35Å; I152-R154 PolarHBondContact O-N 3.17Å; I152-Y155 PolarHBondContact O-N 3.35Å; I152-L156 HydrophobicContact CG2-CD1 3.99Å; I152-L156 HydrophobicContact CG2-CG 4.44Å; I152-L156 WeakPolarHBondContact O-CG 3.17Å; I152-L156 PolarHBondContact O-N 3.04Å; I152-Y185 HydrophobicContact CG1-CD2 4.3Å; I152-L253 HydrophobicContact CG2-CD2 4.02Å
153A98.1Very high96.9Very high15 Ų1552.5 Ų52.512%0.12425%0.25CS..Hα-helixtrans-59.1-46178.100000111.5L149 Y155 L156 D157L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.35Å; A153-Y155 PolarHBondContact O-N 3.1Å; A153-L156 PolarHBondContact O-N 3.19Å; A153-D157 PolarHBondContact O-N 3.29Å
154R97.2Very high96.4Very high83 Ų8352.5 Ų52.531%0.31326%0.263SS..Hα-helixtrans-61.3-41.8175.6178.5174.957.385.56112.4R150 L151 I152 D157 C158 E174 M177R150-R154 WeakPolarHBondContact O-CB 3.38Å; R150-R154 PolarHBondContact O-N 3.04Å; L151-R154 PolarHBondContact O-N 2.99Å; I152-R154 VanDerWaalsContact C-N 3.35Å; I152-R154 PolarHBondContact O-N 3.17Å; R154-D157 PolarHBondContact O-N 3.43Å; R154-C158 WeakPolarHBondContact O-CB 3.04Å; R154-C158 PolarHBondContact O-N 3.03Å; R154-E174 IonicContact CZ-OE1 3.19Å; R154-E174 IonicContact CZ-OE2 3.23Å; R154-E174 IonicContact NH1-OE1 2.72Å; R154-E174 PolarHBondContact NH1-OE1 3.15Å; R154-E174 IonicContact NH1-OE2 3.85Å; R154-E174 IonicContact NH2-OE1 3.94Å; R154-E174 PolarHBondContact NH2-OE1 3.01Å; R154-E174 IonicContact NH2-OE2 3.76Å; R154-E174 PolarHBondContact NH2-OE2 2.84Å; R154-M177 PolarHBondContact NH1-SD 3.01Å; R154-M177 PolarHBondContact NH2-SD 3.09Å
155Y97.9Very high95.9Very high0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-61.8-46.6176.5172.5-104000111.5L118 L151 I152 A153 D157 C158 L159 C170 E174 I186L118-Y155 HydrophobicContact CD1-CD1 4.1Å; L118-Y155 HydrophobicContact CD1-CE1 4.28Å; L118-Y155 HydrophobicContact CD2-CE1 4.2Å; L151-Y155 WeakPolarHBondContact O-CB 3.45Å; L151-Y155 PolarHBondContact O-N 3.33Å; I152-Y155 PolarHBondContact O-N 3.35Å; A153-Y155 PolarHBondContact O-N 3.1Å; Y155-D157 PolarHBondContact O-N 3.22Å; Y155-C158 WeakPolarHBondContact O-CB 3.44Å; Y155-C158 PolarHBondContact O-N 3.45Å; Y155-L159 HydrophobicContact CD1-CD1 4.2Å; Y155-L159 HydrophobicContact CE1-CD1 3.52Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.48Å; Y155-L159 HydrophobicContact CE2-CD2 4.37Å; Y155-L159 HydrophobicContact CE2-CG 4.33Å; Y155-L159 PolarHBondContact O-N 2.85Å; Y155-C170 HydrophobicContact CD2-CB 4.02Å; Y155-C170 HydrophobicContact CE2-CB 3.9Å; Y155-E174 HydrophobicContact CD2-CG 3.73Å; Y155-E174 HydrophobicContact CG-CG 4.31Å; Y155-I186 HydrophobicContact CD1-CD1 3.89Å; Y155-I186 HydrophobicContact CD1-CG1 4.37Å; Y155-I186 HydrophobicContact CD2-CD1 3.9Å; Y155-I186 HydrophobicContact CE1-CD1 4.44Å; Y155-I186 HydrophobicContact CE1-CG2 4.18Å; Y155-I186 HydrophobicContact CE2-CD1 4.46Å; Y155-I186 HydrophobicContact CG-CD1 3.57Å
156L97.9Very high95.7Very high6 Ų658.2 Ų58.23%0.03130%0.304CS..Hα-helixtrans-62.2-41.1176.5-72.9171.8000112.3L118 H125 I152 A153 C158 L159 K160 Y198 P201 L253L118-L156 HydrophobicContact CD1-CD1 4.26Å; L118-L156 HydrophobicContact CD1-CD2 3.72Å; L118-L156 HydrophobicContact CD1-CG 3.93Å; H125-L156 HydrophobicContact CB-CD2 4.17Å; I152-L156 HydrophobicContact CG2-CD1 3.99Å; I152-L156 HydrophobicContact CG2-CG 4.44Å; I152-L156 WeakPolarHBondContact O-CG 3.17Å; I152-L156 PolarHBondContact O-N 3.04Å; A153-L156 PolarHBondContact O-N 3.19Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-L159 PolarHBondContact O-N 3.47Å; L156-K160 WeakPolarHBondContact O-CB 3.41Å; L156-K160 PolarHBondContact O-N 3.43Å; L156-Y198 HydrophobicContact CB-CE2 4.46Å; L156-Y198 WeakPolarHBondContact O-CD2 3.44Å; L156-P201 HydrophobicContact CD1-CB 4.31Å; L156-P201 HydrophobicContact CD1-CG 3.97Å; L156-L253 HydrophobicContact CD1-CD2 4Å
157D97.3Very high95.4Very high88 Ų8857.2 Ų57.247%0.47130%0.299SS..Hα-helixtrans-64-39.4174.4-79.2-23.9000111.8A153 R154 Y155 K160 L161A153-D157 PolarHBondContact O-N 3.29Å; R154-D157 PolarHBondContact O-N 3.43Å; Y155-D157 PolarHBondContact O-N 3.22Å; D157-K160 WeakPolarHBondContact O-CB 3.26Å; D157-K160 PolarHBondContact O-N 3.43Å; D157-L161 WeakPolarHBondContact O-CG 3.36Å; D157-L161 PolarHBondContact O-N 3.3Å; D157-L161 VanDerWaalsContact O-N 3.11Å
158C97.7Very high95.2Very high23 Ų2357.3 Ų57.316%0.15530%0.299CS..Hα-helixtrans-60.4-47.3173.6-176.60000111.3R154 Y155 L156 K160 L161 S162 C170R154-C158 WeakPolarHBondContact O-CB 3.04Å; R154-C158 PolarHBondContact O-N 3.03Å; Y155-C158 WeakPolarHBondContact O-CB 3.44Å; Y155-C158 PolarHBondContact O-N 3.45Å; L156-C158 VanDerWaalsContact C-N 3.33Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 3.3Å; C158-L161 PolarHBondContact O-N 3.05Å; C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.44Å; C158-S162 PolarHBondContact O-N 2.95Å; C158-S162 PolarHBondContact O-OG 3.45Å; C158-C170 HydrophobicContact CB-CB 3.76Å; C158-C170 WeakPolarHBondContact CB-SG 3.28Å; C158-C170 PolarHBondContact O-SG 2.89Å; C158-C170 WeakPolarHBondContact SG-CA 3.47Å; C158-C170 WeakPolarHBondContact SG-CB 3.41Å; C158-C170 CovalentContact SG-SG 2.04Å; C158-C170 PolarHBondContact SG-SG 3.44Å
159L97.3Very high95.2Very high4 Ų459.6 Ų59.62%0.02132%0.315CS..Hα-helixtrans-59.6-43.2176.7-69.6-177.3000111.4Y155 L156 L161 S162 A167 C170 Y198Y155-L159 HydrophobicContact CD1-CD1 4.2Å; Y155-L159 HydrophobicContact CE1-CD1 3.52Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.48Å; Y155-L159 HydrophobicContact CE2-CD2 4.37Å; Y155-L159 HydrophobicContact CE2-CG 4.33Å; Y155-L159 PolarHBondContact O-N 2.85Å; L156-L159 PolarHBondContact O-N 3.47Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.14Å; L159-S162 PolarHBondContact O-N 3.42Å; L159-A167 HydrophobicContact CD2-CB 4.03Å; L159-C170 HydrophobicContact CD2-CB 4Å; L159-Y198 HydrophobicContact CB-CD2 4.26Å
160K96.4Very high95.1Very high117 Ų11759.6 Ų59.651%0.50932%0.315SS..Hα-helixtrans-59.8-36.3179.8-173.7179.7178.6-177.20113.2L156 D157 C158 Y198L156-K160 WeakPolarHBondContact O-CB 3.41Å; L156-K160 PolarHBondContact O-N 3.43Å; D157-K160 WeakPolarHBondContact O-CB 3.26Å; D157-K160 PolarHBondContact O-N 3.43Å; C158-K160 VanDerWaalsContact C-N 3.31Å; C158-K160 PolarHBondContact O-N 3.3Å; K160-Y198 HydrophobicContact CB-CD1 4Å; K160-Y198 HydrophobicContact CB-CD2 3.69Å; K160-Y198 HydrophobicContact CB-CE1 4.11Å; K160-Y198 HydrophobicContact CB-CE2 3.8Å; K160-Y198 HydrophobicContact CB-CG 3.78Å; K160-Y198 HydrophobicContact CD-CE1 3.99Å; K160-Y198 HydrophobicContact CD-CE2 4.34Å; K160-Y198 HydrophobicContact CG-CD1 3.91Å; K160-Y198 HydrophobicContact CG-CD2 4.41Å; K160-Y198 HydrophobicContact CG-CE1 3.77Å; K160-Y198 HydrophobicContact CG-CE2 4.28Å; K160-Y198 HydrophobicContact CG-CG 4.23Å
161L96.5Very high95Very high151 Ų15153.2 Ų53.279%0.79129%0.291SS*.Hα-helixtrans-90.5-13.2-178.2-64.3173.7000113.2D157 C158 L159D157-L161 WeakPolarHBondContact O-CG 3.36Å; D157-L161 PolarHBondContact O-N 3.3Å; D157-L161 VanDerWaalsContact O-N 3.11Å; C158-L161 PolarHBondContact O-N 3.05Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.14Å
162S95.3Very high94.9Very high34 Ų3455.9 Ų55.924%0.23831%0.311CS..SBendtrans-86.1145.6-175.3-66.80000112.2C158 L159 C170C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.44Å; C158-S162 PolarHBondContact O-N 2.95Å; C158-S162 PolarHBondContact O-OG 3.45Å; L159-S162 PolarHBondContact O-N 3.42Å; S162-C170 PolarHBondContact OG-SG 2.91Å
163T91Very high94.8Very high71 Ų7161.4 Ų61.444%0.43634%0.335SS..  trans-71.6156.7164.358.30000110.2S165 N166 A167T163-S165 PolarHBondContact O-N 3.42Å; T163-S165 VanDerWaalsContact O-N 3.1Å; T163-S165 PolarHBondContact OG1-OG 2.66Å; T163-N166 PolarHBondContact O-N 2.73Å; T163-A167 PolarHBondContact O-N 2.72Å
164P84.6Confident94.7Very high123 Ų12360.8 Ų60.880%0.79933%0.33SS*.THydrogen-bonded Turntrans-53.5-33.8176.8-28.235.4000113.8N166P164-N166 VanDerWaalsContact C-N 3.3Å; P164-N166 PolarHBondContact O-N 2.95Å
165S85.5Confident94.7Very high97 Ų9760.6 Ų60.668%0.67834%0.335SS*.THydrogen-bonded Turntrans-67.5-27.5177.463.10000113.9T163T163-S165 PolarHBondContact O-N 3.42Å; T163-S165 VanDerWaalsContact O-N 3.1Å; T163-S165 PolarHBondContact OG1-OG 2.66Å
166N92.2Very high94.5Very high91 Ų9164 Ų6449%0.48737%0.37SS..THydrogen-bonded Turntrans-110.7-9-171-66.1-1000112.9T163 P164 K168 S169T163-N166 PolarHBondContact O-N 2.73Å; P164-N166 VanDerWaalsContact C-N 3.3Å; P164-N166 PolarHBondContact O-N 2.95Å; N166-K168 PolarHBondContact O-N 3.38Å; N166-S169 VanDerWaalsContact O-CB 3.23Å; N166-S169 WeakPolarHBondContact O-CB 3.48Å; N166-S169 PolarHBondContact O-N 2.75Å; N166-S169 PolarHBondContact O-OG 2.82Å
167A92.1Very high94.3Very high2 Ų269 Ų692%0.01740%0.395CS..THydrogen-bonded Turntrans-60.1-29.7-175.300000113.5L159 T163 S169 C170 F196L159-A167 HydrophobicContact CD2-CB 4.03Å; T163-A167 PolarHBondContact O-N 2.72Å; A167-S169 PolarHBondContact O-N 2.96Å; A167-C170 VanDerWaalsContact O-CB 3.27Å; A167-C170 WeakPolarHBondContact O-CB 3.44Å; A167-C170 PolarHBondContact O-N 2.86Å; A167-F196 HydrophobicContact CB-CB 3.83Å; A167-F196 WeakPolarHBondContact CB-O 3.47Å
168K94.1Very high93.9Very high103 Ų10366.8 Ų66.845%0.44839%0.392SS..Hα-helixtrans-59.3-29.5172.2-72.9-167.1173.7-163.80113.1N166 C170 Y171 S172 V190 F196N166-K168 PolarHBondContact O-N 3.38Å; K168-C170 PolarHBondContact O-N 2.86Å; K168-Y171 PolarHBondContact O-N 3.37Å; K168-Y171 VanDerWaalsContact O-N 3.16Å; K168-S172 PolarHBondContact O-N 3.3Å; K168-S172 PolarHBondContact O-OG 3.33Å; K168-V190 PolarHBondContact NZ-O 2.97Å; K168-F196 HydrophobicContact CD-CE2 4.4Å; K168-F196 HydrophobicContact CG-CD1 4.02Å; K168-F196 HydrophobicContact CG-CD2 3.93Å; K168-F196 HydrophobicContact CG-CE1 4.09Å; K168-F196 HydrophobicContact CG-CE2 4.01Å; K168-F196 HydrophobicContact CG-CG 3.93Å; K168-F196 HydrophobicContact CG-CZ 4.09Å
169S95.5Very high93.6Very high49 Ų4966.1 Ų66.134%0.34339%0.387SS..Hα-helixtrans-64.6-24.8176.775.40000112.9N166 A167 Y171 S172 K173N166-S169 VanDerWaalsContact O-CB 3.23Å; N166-S169 WeakPolarHBondContact O-CB 3.48Å; N166-S169 PolarHBondContact O-N 2.75Å; N166-S169 PolarHBondContact O-OG 2.82Å; A167-S169 PolarHBondContact O-N 2.96Å; S169-Y171 VanDerWaalsContact C-N 3.34Å; S169-S172 PolarHBondContact O-N 2.74Å; S169-K173 WeakPolarHBondContact O-CG 3.28Å; S169-K173 PolarHBondContact O-N 3.24Å
170C96.8Very high93.3Very high0 Ų068.4 Ų68.40%040%0.403CS..Hα-helixtrans-61.9-45.4174-62.70000110.6Y155 C158 L159 S162 A167 K168 K173 E174Y155-C170 HydrophobicContact CD2-CB 4.02Å; Y155-C170 HydrophobicContact CE2-CB 3.9Å; C158-C170 HydrophobicContact CB-CB 3.76Å; C158-C170 WeakPolarHBondContact CB-SG 3.28Å; C158-C170 PolarHBondContact O-SG 2.89Å; C158-C170 WeakPolarHBondContact SG-CA 3.47Å; C158-C170 WeakPolarHBondContact SG-CB 3.41Å; C158-C170 CovalentContact SG-SG 2.04Å; C158-C170 PolarHBondContact SG-SG 3.44Å; L159-C170 HydrophobicContact CD2-CB 4Å; S162-C170 PolarHBondContact OG-SG 2.91Å; A167-C170 VanDerWaalsContact O-CB 3.27Å; A167-C170 WeakPolarHBondContact O-CB 3.44Å; A167-C170 PolarHBondContact O-N 2.86Å; K168-C170 PolarHBondContact O-N 2.86Å; C170-K173 WeakPolarHBondContact O-CB 3.31Å; C170-K173 PolarHBondContact O-N 3.02Å; C170-E174 WeakPolarHBondContact O-CG 3.47Å; C170-E174 PolarHBondContact O-N 2.73Å
171Y96.3Very high92.8Very high44 Ų4470.5 Ų70.517%0.17342%0.42CS..Hα-helixtrans-66.8-41.4176.9-177-103.5000111.8K168 S169 K173 E174 L175 L179 I186 V188 V190 F196K168-Y171 PolarHBondContact O-N 3.37Å; K168-Y171 VanDerWaalsContact O-N 3.16Å; S169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-K173 VanDerWaalsContact C-N 3.25Å; Y171-K173 PolarHBondContact O-N 3.41Å; Y171-E174 WeakPolarHBondContact O-CB 3.43Å; Y171-E174 PolarHBondContact O-N 3.21Å; Y171-L175 HydrophobicContact CD1-CD1 3.97Å; Y171-L175 HydrophobicContact CD1-CG 4.22Å; Y171-L175 HydrophobicContact CE1-CD1 3.7Å; Y171-L175 HydrophobicContact CE1-CD2 4.05Å; Y171-L175 HydrophobicContact CE1-CG 3.92Å; Y171-L175 PolarHBondContact O-N 3.36Å; Y171-L179 HydrophobicContact CD2-CD2 3.95Å; Y171-L179 HydrophobicContact CE2-CD2 3.37Å; Y171-I186 HydrophobicContact CD2-CG2 3.9Å; Y171-I186 HydrophobicContact CE2-CG2 3.89Å; Y171-V188 HydrophobicContact CD2-CG2 3.63Å; Y171-V188 HydrophobicContact CE2-CG2 3.46Å; Y171-V188 VanDerWaalsContact CE2-CG2 3.46Å; Y171-V188 HydrophobicContact CG-CG2 4.26Å; Y171-V190 HydrophobicContact CD1-CG1 4.29Å; Y171-V190 HydrophobicContact CE1-CG1 3.82Å; Y171-F196 HydrophobicContact CG-CE1 4.26Å
172S95.5Very high92.3Very high72 Ų7271.4 Ų71.450%0.50342%0.42SS..Hα-helixtrans-59.3-34.7175.4-540000113.3K168 S169 L175 G176K168-S172 PolarHBondContact O-N 3.3Å; K168-S172 PolarHBondContact O-OG 3.33Å; S169-S172 PolarHBondContact O-N 2.74Å; S172-L175 PolarHBondContact O-N 3.48Å; S172-G176 PolarHBondContact O-N 3.42Å; S172-G176 VanDerWaalsContact O-N 3.14Å
173K96.2Very high91.9Very high117 Ų11772.5 Ų72.551%0.50942%0.421SS..Hα-helixtrans-65.5-40.1173.6-72.4169.6-175.2175.30111.9S169 C170 Y171 G176 M177S169-K173 WeakPolarHBondContact O-CG 3.28Å; S169-K173 PolarHBondContact O-N 3.24Å; C170-K173 WeakPolarHBondContact O-CB 3.31Å; C170-K173 PolarHBondContact O-N 3.02Å; Y171-K173 VanDerWaalsContact C-N 3.25Å; Y171-K173 PolarHBondContact O-N 3.41Å; K173-G176 PolarHBondContact O-N 3.23Å; K173-M177 WeakPolarHBondContact O-CG 3.49Å; K173-M177 PolarHBondContact O-N 2.79Å
174E96.4Very high91.9Very high2 Ų271 Ų711%0.00941%0.412CS..Hα-helixtrans-66-39.7177.2-58.6-50.6134.200112R154 Y155 C170 Y171 G176 M177 G178 L179 Y185 I186R154-E174 IonicContact CZ-OE1 3.19Å; R154-E174 IonicContact CZ-OE2 3.23Å; R154-E174 IonicContact NH1-OE1 2.72Å; R154-E174 PolarHBondContact NH1-OE1 3.15Å; R154-E174 IonicContact NH1-OE2 3.85Å; R154-E174 IonicContact NH2-OE1 3.94Å; R154-E174 PolarHBondContact NH2-OE1 3.01Å; R154-E174 IonicContact NH2-OE2 3.76Å; R154-E174 PolarHBondContact NH2-OE2 2.84Å; Y155-E174 HydrophobicContact CD2-CG 3.73Å; Y155-E174 HydrophobicContact CG-CG 4.31Å; C170-E174 WeakPolarHBondContact O-CG 3.47Å; C170-E174 PolarHBondContact O-N 2.73Å; Y171-E174 WeakPolarHBondContact O-CB 3.43Å; Y171-E174 PolarHBondContact O-N 3.21Å; E174-G176 VanDerWaalsContact C-N 3.31Å; E174-G176 PolarHBondContact O-N 3.37Å; E174-M177 CarbonylContact O-C 3.45Å; E174-M177 PolarHBondContact O-N 3.49Å; E174-G178 PolarHBondContact O-N 3.23Å; E174-L179 HydrophobicContact CB-CB 4.16Å; E174-L179 HydrophobicContact CB-CD2 3.92Å; E174-L179 VanDerWaalsContact O-CB 3.29Å; E174-L179 WeakPolarHBondContact O-CB 3.25Å; E174-L179 PolarHBondContact O-N 3.43Å; E174-Y185 PolarHBondContact OE2-OH 3.44Å; E174-I186 HydrophobicContact CB-CD1 4.12Å; E174-I186 HydrophobicContact CG-CD1 3.66Å
175L95.6Very high92.4Very high79 Ų7965.1 Ų65.141%0.41437%0.374SS..Hα-helixtrans-56.5-45.7171.1-67.3176.1000111.4Y171 S172 M177 G178 L179Y171-L175 HydrophobicContact CD1-CD1 3.97Å; Y171-L175 HydrophobicContact CD1-CG 4.22Å; Y171-L175 HydrophobicContact CE1-CD1 3.7Å; Y171-L175 HydrophobicContact CE1-CD2 4.05Å; Y171-L175 HydrophobicContact CE1-CG 3.92Å; Y171-L175 PolarHBondContact O-N 3.36Å; S172-L175 PolarHBondContact O-N 3.48Å; L175-M177 PolarHBondContact O-N 3.48Å; L175-M177 VanDerWaalsContact O-N 3.15Å; L175-G178 PolarHBondContact O-N 3.35Å; L175-L179 HydrophobicContact CD2-CB 4.32Å; L175-L179 HydrophobicContact CD2-CD2 4.11Å; L175-L179 HydrophobicContact CD2-CG 4.17Å; L175-L179 WeakPolarHBondContact CD2-O 3.36Å
176G94.4Very high92.9Very high72 Ų7260.8 Ų60.874%0.74234%0.343SS*.THydrogen-bonded Turntrans-65.5-13.7176.300000114.7S172 K173 E174S172-G176 PolarHBondContact O-N 3.42Å; S172-G176 VanDerWaalsContact O-N 3.14Å; K173-G176 PolarHBondContact O-N 3.23Å; E174-G176 VanDerWaalsContact C-N 3.31Å; E174-G176 PolarHBondContact O-N 3.37Å
177M93Very high93Very high111 Ų11159.5 Ų59.555%0.54734%0.337SS..THydrogen-bonded Turntrans-1057.2179-68.9-177.76300113.3L151 R154 K173 E174 L175L151-M177 HydrophobicContact CD2-CE 4.37Å; R154-M177 PolarHBondContact NH1-SD 3.01Å; R154-M177 PolarHBondContact NH2-SD 3.09Å; K173-M177 WeakPolarHBondContact O-CG 3.49Å; K173-M177 PolarHBondContact O-N 2.79Å; E174-M177 CarbonylContact O-C 3.45Å; E174-M177 PolarHBondContact O-N 3.49Å; L175-M177 PolarHBondContact O-N 3.48Å; L175-M177 VanDerWaalsContact O-N 3.15Å
178G90.1Very high93.1Very high41 Ų4160.1 Ų60.142%0.42334%0.34SS..THydrogen-bonded Turntrans1069173.700000115.4E174 L175 S180E174-G178 PolarHBondContact O-N 3.23Å; L175-G178 PolarHBondContact O-N 3.35Å; G178-S180 PolarHBondContact O-N 3.16Å
179L91.8Very high93.1Very high8 Ų859.1 Ų59.14%0.04234%0.339CS..  trans-61.9125.6163.4178.367.6000109.1Y171 E174 L175 Y185 I186Y171-L179 HydrophobicContact CD2-CD2 3.95Å; Y171-L179 HydrophobicContact CE2-CD2 3.37Å; E174-L179 HydrophobicContact CB-CB 4.16Å; E174-L179 HydrophobicContact CB-CD2 3.92Å; E174-L179 VanDerWaalsContact O-CB 3.29Å; E174-L179 WeakPolarHBondContact O-CB 3.25Å; E174-L179 PolarHBondContact O-N 3.43Å; L175-L179 HydrophobicContact CD2-CB 4.32Å; L175-L179 HydrophobicContact CD2-CD2 4.11Å; L175-L179 HydrophobicContact CD2-CG 4.17Å; L175-L179 WeakPolarHBondContact CD2-O 3.36Å; L179-Y185 HydrophobicContact CB-CE1 3.7Å; L179-Y185 HydrophobicContact CD1-CD1 3.68Å; L179-Y185 HydrophobicContact CD1-CD2 4.46Å; L179-Y185 HydrophobicContact CD1-CE1 3.7Å; L179-Y185 HydrophobicContact CD1-CE2 4.46Å; L179-Y185 HydrophobicContact CD1-CG 4.06Å; L179-Y185 HydrophobicContact CG-CE1 4.3Å; L179-I186 HydrophobicContact CD1-CB 4.18Å; L179-I186 HydrophobicContact CD2-CB 3.92Å; L179-I186 HydrophobicContact CD2-CG2 4.46Å
180S91.2Very high93Very high52 Ų5259.7 Ų59.736%0.36434%0.341SS..BIsolated β-bridgetrans-155.9174.7-179.269.40000110.8G178 E182 F183 P184G178-S180 PolarHBondContact O-N 3.16Å; S180-E182 PolarHBondContact O-N 3.31Å; S180-E182 PolarHBondContact OG-N 3.47Å; S180-F183 CarbonylContact O-C 3.48Å; S180-F183 PolarHBondContact O-N 3.23Å; S180-F183 PolarHBondContact OG-N 2.76Å; S180-P184 WeakPolarHBondContact O-CA 3.23Å; S180-P184 WeakPolarHBondContact O-CD 3.48Å
181D85Confident92.9Very high161 Ų16166 Ų6686%0.86138%0.375SS*.THydrogen-bonded Turntrans-63.3-25.5173.9-63.3-25.1000112.8P184D181-P184 WeakPolarHBondContact O-CD 3.25Å
182E84.9Confident92.7Very high171 Ų17165.9 Ų65.980%0.79938%0.377SS*.THydrogen-bonded Turntrans-81.6-21.8174.5-64.2-178.9173.300112.4S180 P184S180-E182 PolarHBondContact O-N 3.31Å; S180-E182 PolarHBondContact OG-N 3.47Å; E182-P184 VanDerWaalsContact C-CD 3.46Å
183F87.1Confident92.6Very high56 Ų5666.9 Ų66.925%0.24638%0.382CS..BIsolated β-bridgetrans-13561.3178.5-162-111.6000112.6Y112 I148 S180 Y185Y112-F183 HydrophobicContact CE1-CD2 4.09Å; Y112-F183 HydrophobicContact CE1-CE2 4.47Å; I148-F183 HydrophobicContact CD1-CE1 4.34Å; I148-F183 HydrophobicContact CD1-CE2 4.17Å; I148-F183 HydrophobicContact CD1-CZ 3.62Å; I148-F183 HydrophobicContact CG1-CE1 4.24Å; I148-F183 HydrophobicContact CG1-CZ 3.8Å; S180-F183 CarbonylContact O-C 3.48Å; S180-F183 PolarHBondContact O-N 3.23Å; S180-F183 PolarHBondContact OG-N 2.76Å; F183-Y185 AromaticContact CD1-CD1 3.58Å; F183-Y185 HydrophobicContact CD1-CD1 3.58Å; F183-Y185 AromaticContact CD1-CE1 3.88Å; F183-Y185 HydrophobicContact CD1-CE1 3.88Å; F183-Y185 AromaticContact CE1-CD1 3.65Å; F183-Y185 HydrophobicContact CE1-CD1 3.65Å; F183-Y185 HydrophobicContact CE1-CE1 4.02Å; F183-Y185 WeakPolarHBondContact O-CD1 3.34Å; F183-Y185 PolarHBondContact O-N 3.38Å; F183-Y185 VanDerWaalsContact O-N 3.09Å
184P91.8Very high92.5Very high39 Ų3962.9 Ų62.925%0.25337%0.368SS..  trans-83.287.6-171.332.7-37.9000111.7Y112 P114 S180 D181 E182Y112-P184 HydrophobicContact CD1-CG 4.37Å; P114-P184 WeakPolarHBondContact CD-O 3.35Å; P114-P184 VanDerWaalsContact CG-O 3.25Å; P114-P184 WeakPolarHBondContact CG-O 3.29Å; S180-P184 WeakPolarHBondContact O-CA 3.23Å; S180-P184 WeakPolarHBondContact O-CD 3.48Å; D181-P184 WeakPolarHBondContact O-CD 3.25Å; E182-P184 VanDerWaalsContact C-CD 3.46Å
185Y95.1Very high92.5Very high1 Ų162.8 Ų62.80%0.00437%0.368CS..  trans-95.6-8.3174.463.6-89.4000114.8Y117 L118 I148 L151 I152 E174 L179 F183Y117-Y185 WeakPolarHBondContact CA-O 3.34Å; L118-Y185 PolarHBondContact N-O 3.23Å; I148-Y185 VanDerWaalsContact CG2-CB 3.4Å; I148-Y185 HydrophobicContact CG2-CD2 4.12Å; I148-Y185 HydrophobicContact CG2-CG 3.91Å; L151-Y185 HydrophobicContact CB-CD2 4.17Å; L151-Y185 HydrophobicContact CB-CE2 3.63Å; L151-Y185 HydrophobicContact CD1-CD2 4.5Å; L151-Y185 HydrophobicContact CD1-CE1 4.01Å; L151-Y185 HydrophobicContact CD1-CE2 3.98Å; L151-Y185 HydrophobicContact CG-CE2 4.45Å; I152-Y185 HydrophobicContact CG1-CD2 4.3Å; E174-Y185 PolarHBondContact OE2-OH 3.44Å; L179-Y185 HydrophobicContact CB-CE1 3.7Å; L179-Y185 HydrophobicContact CD1-CD1 3.68Å; L179-Y185 HydrophobicContact CD1-CD2 4.46Å; L179-Y185 HydrophobicContact CD1-CE1 3.7Å; L179-Y185 HydrophobicContact CD1-CE2 4.46Å; L179-Y185 HydrophobicContact CD1-CG 4.06Å; L179-Y185 HydrophobicContact CG-CE1 4.3Å; F183-Y185 AromaticContact CD1-CD1 3.58Å; F183-Y185 HydrophobicContact CD1-CD1 3.58Å; F183-Y185 AromaticContact CD1-CE1 3.88Å; F183-Y185 HydrophobicContact CD1-CE1 3.88Å; F183-Y185 AromaticContact CE1-CD1 3.65Å; F183-Y185 HydrophobicContact CE1-CD1 3.65Å; F183-Y185 HydrophobicContact CE1-CE1 4.02Å; F183-Y185 WeakPolarHBondContact O-CD1 3.34Å; F183-Y185 PolarHBondContact O-N 3.38Å; F183-Y185 VanDerWaalsContact O-N 3.09Å
186I96Very high92.5Very high5 Ų559.6 Ų59.63%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-130.2111.8172.9-70.4163.5000107.6L118 Y155 Y171 E174 L179 V188L118-I186 HydrophobicContact CB-CG1 4.31Å; L118-I186 HydrophobicContact CD2-CG2 4.21Å; Y155-I186 HydrophobicContact CD1-CD1 3.89Å; Y155-I186 HydrophobicContact CD1-CG1 4.37Å; Y155-I186 HydrophobicContact CD2-CD1 3.9Å; Y155-I186 HydrophobicContact CE1-CD1 4.44Å; Y155-I186 HydrophobicContact CE1-CG2 4.18Å; Y155-I186 HydrophobicContact CE2-CD1 4.46Å; Y155-I186 HydrophobicContact CG-CD1 3.57Å; Y171-I186 HydrophobicContact CD2-CG2 3.9Å; Y171-I186 HydrophobicContact CE2-CG2 3.89Å; E174-I186 HydrophobicContact CB-CD1 4.12Å; E174-I186 HydrophobicContact CG-CD1 3.66Å; L179-I186 HydrophobicContact CD1-CB 4.18Å; L179-I186 HydrophobicContact CD2-CB 3.92Å; L179-I186 HydrophobicContact CD2-CG2 4.46Å; I186-V188 HydrophobicContact CG2-CG1 3.66Å; I186-V188 HydrophobicContact CG2-CG2 4.47Å
187D94.3Very high92.5Very high65 Ų6560.1 Ų60.135%0.34834%0.339SS..EExtended strand (participates in β ladder)trans-105.3106.4177.5177.811.2000108.4K81 L118 W119 S120K81-D187 IonicContact NZ-OD2 3.57Å; K81-D187 PolarHBondContact NZ-OD2 3.43Å; L118-D187 PolarHBondContact O-N 3.42Å; W119-D187 CarbonylContact C-O 3.4Å; W119-D187 WeakPolarHBondContact CA-O 3.48Å; W119-D187 HydrophobicContact CB-CB 4.43Å; W119-D187 VanDerWaalsContact CD1-OD2 3.32Å; S120-D187 PolarHBondContact N-O 2.99Å
188V95Very high92.6Very high15 Ų1558 Ų589%0.09133%0.326CS..  trans-135.5146-179-60.20000110.5L118 Y171 I186 V190 F196L118-V188 HydrophobicContact CD2-CG1 4.31Å; Y171-V188 HydrophobicContact CD2-CG2 3.63Å; Y171-V188 HydrophobicContact CE2-CG2 3.46Å; Y171-V188 VanDerWaalsContact CE2-CG2 3.46Å; Y171-V188 HydrophobicContact CG-CG2 4.26Å; I186-V188 HydrophobicContact CG2-CG1 3.66Å; I186-V188 HydrophobicContact CG2-CG2 4.47Å; V188-V190 HydrophobicContact CG2-CG1 4.3Å; V188-V190 PolarHBondContact O-N 3.41Å; V188-F196 HydrophobicContact CG2-CE1 4.45Å; V188-F196 HydrophobicContact CG2-CZ 4.29Å
189D94.2Very high92.8Very high81 Ų8157 Ų5743%0.43331%0.312SS..  trans-80.5108.5165.4-177.2-8.8000109.1N191 D192 S195D189-N191 PolarHBondContact O-N 3.15Å; D189-N191 WeakPolarHBondContact OD1-CA 3.29Å; D189-N191 WeakPolarHBondContact OD1-CB 3.32Å; D189-N191 PolarHBondContact OD1-N 2.94Å; D189-D192 HydrophobicContact CB-CB 3.86Å; D189-D192 PolarHBondContact O-N 2.83Å; D189-D192 PolarHBondContact OD1-N 3.27Å; D189-S195 PolarHBondContact N-OG 3.33Å; D189-S195 WeakPolarHBondContact O-CB 3.36Å; D189-S195 PolarHBondContact O-OG 3.01Å; D189-S195 VanDerWaalsContact O-OG 3.05Å
190V92.6Very high93Very high61 Ų6159.8 Ų59.837%0.3732%0.322SS..THydrogen-bonded Turntrans-66.3-19.5-180-64.30000113.8K168 Y171 V188 F196K168-V190 PolarHBondContact NZ-O 2.97Å; Y171-V190 HydrophobicContact CD1-CG1 4.29Å; Y171-V190 HydrophobicContact CE1-CG1 3.82Å; V188-V190 HydrophobicContact CG2-CG1 4.3Å; V188-V190 PolarHBondContact O-N 3.41Å; V190-F196 HydrophobicContact CB-CZ 4.48Å; V190-F196 HydrophobicContact CG1-CZ 4.4Å
191N93.7Very high93.3Very high134 Ų13457.3 Ų57.372%0.71731%0.305SS*.THydrogen-bonded Turntrans-90.3-20.1177.7-59.1-51.8000112.2D189 P193D189-N191 PolarHBondContact O-N 3.15Å; D189-N191 WeakPolarHBondContact OD1-CA 3.29Å; D189-N191 WeakPolarHBondContact OD1-CB 3.32Å; D189-N191 PolarHBondContact OD1-N 2.94Å; N191-P193 VanDerWaalsContact O-CD 3.32Å; N191-P193 WeakPolarHBondContact O-CD 3.46Å
192D93.5Very high94Very high41 Ų4149.9 Ų49.922%0.21927%0.265CS..  trans-87.5111.6173.6-176.50.9000110.8D189 S194 S195D189-D192 HydrophobicContact CB-CB 3.86Å; D189-D192 PolarHBondContact O-N 2.83Å; D189-D192 PolarHBondContact OD1-N 3.27Å; D192-S194 PolarHBondContact O-N 3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.23Å; D192-S194 PolarHBondContact OD1-N 3.43Å; D192-S194 PolarHBondContact OD1-OG 3.37Å; D192-S194 PolarHBondContact OD2-OG 2.87Å; D192-S195 VanDerWaalsContact O-CB 3.32Å; D192-S195 WeakPolarHBondContact O-CB 3.48Å; D192-S195 PolarHBondContact O-N 3.49Å; D192-S195 VanDerWaalsContact O-N 3.17Å; D192-S195 PolarHBondContact O-OG 3.33Å
193P93Very high94.7Very high93 Ų9341.7 Ų41.760%0.60423%0.227SC*.G310 helixtrans-59.7-26.9176-21.234.3000113.1N191 S195 F196N191-P193 VanDerWaalsContact O-CD 3.32Å; N191-P193 WeakPolarHBondContact O-CD 3.46Å; P193-S195 PolarHBondContact O-N 3.43Å; P193-F196 PolarHBondContact O-N 3.44Å; P193-F196 VanDerWaalsContact O-N 3.14Å
194S94.5Very high95.2Very high32 Ų3239 Ų3922%0.22422%0.215CC..G310 helixtrans-63.2-30179.890.90000112G123 D192 F196 V197G123-S194 WeakPolarHBondContact CA-O 3.16Å; G123-S194 PolarHBondContact N-OG 2.96Å; D192-S194 PolarHBondContact O-N 3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.23Å; D192-S194 PolarHBondContact OD1-N 3.43Å; D192-S194 PolarHBondContact OD1-OG 3.37Å; D192-S194 PolarHBondContact OD2-OG 2.87Å; S194-F196 PolarHBondContact O-N 2.91Å; S194-V197 PolarHBondContact O-N 3.12Å; S194-V197 VanDerWaalsContact O-N 3.08Å
195S95.6Very high95.5Very high1 Ų137.2 Ų37.21%0.00720%0.203CC..G310 helixtrans-59-19.2175.5-62.90000114H125 D189 D192 P193H125-S195 PolarHBondContact CE1-O 2.9Å; D189-S195 PolarHBondContact N-OG 3.33Å; D189-S195 WeakPolarHBondContact O-CB 3.36Å; D189-S195 PolarHBondContact O-OG 3.01Å; D189-S195 VanDerWaalsContact O-OG 3.05Å; D192-S195 VanDerWaalsContact O-CB 3.32Å; D192-S195 WeakPolarHBondContact O-CB 3.48Å; D192-S195 PolarHBondContact O-N 3.49Å; D192-S195 VanDerWaalsContact O-N 3.17Å; D192-S195 PolarHBondContact O-OG 3.33Å; P193-S195 PolarHBondContact O-N 3.43Å
196F96.1Very high95.7Very high11 Ų1137.1 Ų37.15%0.04820%0.203CC..G310 helixtrans-109.69.8-177.7-55.3-82.6000112.9A167 K168 Y171 V188 V190 P193 S194A167-F196 HydrophobicContact CB-CB 3.83Å; A167-F196 WeakPolarHBondContact CB-O 3.47Å; K168-F196 HydrophobicContact CD-CE2 4.4Å; K168-F196 HydrophobicContact CG-CD1 4.02Å; K168-F196 HydrophobicContact CG-CD2 3.93Å; K168-F196 HydrophobicContact CG-CE1 4.09Å; K168-F196 HydrophobicContact CG-CE2 4.01Å; K168-F196 HydrophobicContact CG-CG 3.93Å; K168-F196 HydrophobicContact CG-CZ 4.09Å; Y171-F196 HydrophobicContact CG-CE1 4.26Å; V188-F196 HydrophobicContact CG2-CE1 4.45Å; V188-F196 HydrophobicContact CG2-CZ 4.29Å; V190-F196 HydrophobicContact CB-CZ 4.48Å; V190-F196 HydrophobicContact CG1-CZ 4.4Å; P193-F196 PolarHBondContact O-N 3.44Å; P193-F196 VanDerWaalsContact O-N 3.14Å; S194-F196 PolarHBondContact O-N 2.91Å
197V94.3Very high95.8Very high83 Ų8337.2 Ų37.250%0.50320%0.203SC..SBendtrans-92.3120.7173.6178.60000108.7H125 S194 S199H125-V197 PolarHBondContact NE2-O 3.06Å; S194-V197 PolarHBondContact O-N 3.12Å; S194-V197 VanDerWaalsContact O-N 3.08Å; V197-S199 PolarHBondContact O-N 2.8Å
198Y95.6Very high96Very high68 Ų6834.1 Ų34.127%0.26719%0.187SC..  trans-59.1125.3177.7175.9-103.5000111.9L156 L159 K160L156-Y198 HydrophobicContact CB-CE2 4.46Å; L156-Y198 WeakPolarHBondContact O-CD2 3.44Å; L159-Y198 HydrophobicContact CB-CD2 4.26Å; K160-Y198 HydrophobicContact CB-CD1 4Å; K160-Y198 HydrophobicContact CB-CD2 3.69Å; K160-Y198 HydrophobicContact CB-CE1 4.11Å; K160-Y198 HydrophobicContact CB-CE2 3.8Å; K160-Y198 HydrophobicContact CB-CG 3.78Å; K160-Y198 HydrophobicContact CD-CE1 3.99Å; K160-Y198 HydrophobicContact CD-CE2 4.34Å; K160-Y198 HydrophobicContact CG-CD1 3.91Å; K160-Y198 HydrophobicContact CG-CD2 4.41Å; K160-Y198 HydrophobicContact CG-CE1 3.77Å; K160-Y198 HydrophobicContact CG-CE2 4.28Å; K160-Y198 HydrophobicContact CG-CG 4.23Å
199S94.2Very high96.2Very high19 Ų1933.4 Ų33.413%0.13318%0.182CC..  trans-127.9147.7162.760.90000110.4G123 H125 V197G123-S199 PolarHBondContact O-OG 3.38Å; G123-S199 VanDerWaalsContact O-OG 3.08Å; H125-S199 PolarHBondContact CD2-O 2.9Å; H125-S199 PolarHBondContact CD2-OG 3.04Å; H125-S199 PolarHBondContact N-OG 2.78Å; V197-S199 PolarHBondContact O-N 2.8Å
200R95.5Very high96.3Very high67 Ų6732.5 Ų32.525%0.25317%0.173SC..PPolyproline II helixtrans-60.1128.4169.6-74.7-178.684164.29.8108R254 R256 F273 D278R200-R254 PolarHBondContact NE-O 2.99Å; R200-R254 PolarHBondContact NH2-O 3.04Å; R200-R256 HydrophobicContact CB-CB 3.91Å; R200-R256 HydrophobicContact CB-CG 4.37Å; R200-R256 WeakPolarHBondContact O-CD 3.09Å; R200-R256 WeakPolarHBondContact O-CG 3.15Å; R200-R256 PolarHBondContact O-NE 3.41Å; R200-F273 VanDerWaalsContact NH2-CZ 3.35Å; R200-D278 IonicContact CZ-OD2 2.76Å; R200-D278 VanDerWaalsContact CZ-OD2 3.23Å; R200-D278 IonicContact NH1-OD1 3.33Å; R200-D278 PolarHBondContact NH1-OD1 3.26Å; R200-D278 IonicContact NH1-OD2 3.26Å; R200-D278 PolarHBondContact NH1-OD2 2.89Å; R200-D278 IonicContact NH2-OD2 3.07Å; R200-D278 PolarHBondContact NH2-OD2 2.78Å
201P98.1Very high96.5Very high0 Ų029.9 Ų29.90%016%0.157CC..PPolyproline II helixtrans-71.2162.1-168.128.8-36.2000112.3H125 V127 L156 L253 P255 R256H125-P201 HydrophobicContact CB-CB 4.35Å; H125-P201 CarbonylContact O-C 3.58Å; H125-P201 WeakPolarHBondContact O-CA 3.25Å; V127-P201 HydrophobicContact CG2-CB 3.97Å; L156-P201 HydrophobicContact CD1-CB 4.31Å; L156-P201 HydrophobicContact CD1-CG 3.97Å; P201-L253 WeakPolarHBondContact CD-O 3.43Å; P201-L253 HydrophobicContact CG-CB 4.11Å; P201-L253 VanDerWaalsContact CG-O 3.24Å; P201-L253 WeakPolarHBondContact CG-O 3.38Å; P201-P255 CarbonylContact O-C 3.57Å; P201-P255 WeakPolarHBondContact O-CA 3.32Å; P201-P255 WeakPolarHBondContact O-CB 3.29Å; P201-R256 PolarHBondContact O-N 3.27Å
202V98.6Very high96.6Very high4 Ų426.9 Ų26.92%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-104124.6166.6-179.60000108.2I124 H125 F126 V127 L204 R256 L257 L259I124-V202 HydrophobicContact CG2-CG2 4.02Å; H125-V202 PolarHBondContact O-N 2.75Å; F126-V202 CarbonylContact C-O 3.55Å; F126-V202 WeakPolarHBondContact CA-O 3.42Å; F126-V202 HydrophobicContact CD1-CB 3.74Å; F126-V202 HydrophobicContact CD1-CG1 4.01Å; F126-V202 HydrophobicContact CD1-CG2 4.42Å; F126-V202 HydrophobicContact CE1-CB 4.02Å; F126-V202 HydrophobicContact CE1-CG1 4.16Å; F126-V202 HydrophobicContact CE1-CG2 4.26Å; V127-V202 PolarHBondContact N-O 3.14Å; V202-L204 HydrophobicContact CG1-CD2 4Å; V202-R256 HydrophobicContact CG2-CG 4.18Å; V202-L257 CarbonylContact C-O 3.53Å; V202-L257 VanDerWaalsContact CA-O 3.3Å; V202-L257 WeakPolarHBondContact CA-O 3.45Å; V202-L257 HydrophobicContact CG1-CB 4.14Å; V202-L257 HydrophobicContact CG1-CD2 4.12Å; V202-L257 HydrophobicContact CG1-CG 4.15Å; V202-L257 HydrophobicContact CG2-CB 4.24Å; V202-L259 HydrophobicContact CG1-CD1 4.37Å; V202-L259 HydrophobicContact CG1-CG 4.43Å
203I98.8Very high96.8Very high0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-86.5130.7174.1-64.2175.8000108.9V127 Q205 L249 L253 P255 L257 I258 L259V127-I203 WeakPolarHBondContact O-CA 3.36Å; I203-Q205 HydrophobicContact CG2-CB 4.41Å; I203-Q205 HydrophobicContact CG2-CG 4.15Å; I203-L249 HydrophobicContact CD1-CB 4.3Å; I203-L253 HydrophobicContact CD1-CB 4.42Å; I203-L253 HydrophobicContact CD1-CD1 3.73Å; I203-L253 HydrophobicContact CG1-CD1 3.95Å; I203-P255 HydrophobicContact CD1-CB 3.98Å; I203-P255 HydrophobicContact CD1-CG 3.69Å; I203-P255 HydrophobicContact CG1-CB 3.93Å; I203-P255 HydrophobicContact CG1-CG 4.21Å; I203-L257 PolarHBondContact N-O 3.47Å; I203-I258 HydrophobicContact CB-CB 4.47Å; I203-I258 HydrophobicContact CB-CG1 4.11Å; I203-I258 HydrophobicContact CB-CG2 4.18Å; I203-I258 HydrophobicContact CD1-CG1 4.35Å; I203-I258 HydrophobicContact CG2-CG2 4.24Å; I203-I258 WeakPolarHBondContact O-CA 3.35Å; I203-L259 PolarHBondContact O-N 3.3Å
204L98.7Very high96.9Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-115.7116.2172.4-54178.4000107.6I43 L45 V83 F126 V127 I128 A129 V202 L259I43-L204 HydrophobicContact CD1-CD1 3.71Å; I43-L204 HydrophobicContact CD1-CD2 4.14Å; I43-L204 HydrophobicContact CG1-CD1 4.15Å; I43-L204 HydrophobicContact CG2-CD1 3.92Å; I43-L204 HydrophobicContact CG2-CD2 4.35Å; L45-L204 HydrophobicContact CD2-CB 4.13Å; L45-L204 HydrophobicContact CD2-CD2 4.4Å; V83-L204 HydrophobicContact CG2-CB 4.1Å; F126-L204 HydrophobicContact CB-CD1 3.94Å; F126-L204 HydrophobicContact CB-CG 4.43Å; F126-L204 HydrophobicContact CD1-CD1 3.73Å; F126-L204 HydrophobicContact CD1-CD2 4.18Å; F126-L204 HydrophobicContact CD1-CG 4.05Å; F126-L204 HydrophobicContact CG-CD1 4.12Å; V127-L204 PolarHBondContact O-N 3.08Å; I128-L204 WeakPolarHBondContact CA-O 3.44Å; I128-L204 HydrophobicContact CD1-CD1 4.17Å; I128-L204 HydrophobicContact CG1-CB 3.99Å; I128-L204 HydrophobicContact CG1-CD1 3.72Å; I128-L204 HydrophobicContact CG1-CG 4.31Å; A129-L204 PolarHBondContact N-O 2.93Å; V202-L204 HydrophobicContact CG1-CD2 4Å; L204-L259 HydrophobicContact CD2-CB 3.91Å; L204-L259 HydrophobicContact CD2-CD1 3.74Å; L204-L259 HydrophobicContact CD2-CG 4.21Å
205Q98.5Very high96.9Very high0 Ų028.6 Ų28.60%014%0.136CC..EExtended strand (participates in β ladder)trans-147168179.161.2-178.92600110A129 I203 F207 L259 S260A129-Q205 HydrophobicContact CB-CB 4.31Å; I203-Q205 HydrophobicContact CG2-CB 4.41Å; I203-Q205 HydrophobicContact CG2-CG 4.15Å; Q205-F207 VanDerWaalsContact CD-O 3.25Å; Q205-F207 VanDerWaalsContact CG-O 3.28Å; Q205-F207 WeakPolarHBondContact CG-O 3.46Å; Q205-F207 PolarHBondContact NE2-O 3.14Å; Q205-L259 PolarHBondContact N-O 3.33Å; Q205-L259 VanDerWaalsContact N-O 3.13Å; Q205-S260 VanDerWaalsContact O-CA 3.32Å; Q205-S260 WeakPolarHBondContact O-CA 3.45Å
206H98.6Very high96.6Very high0 Ų031.3 Ų31.30%016%0.163CC..SBendtrans-86.3-55.8177.1179.462.9000111.5D5 L45 D47 V83 V84 G85 N86 G261 H262D5-H206 IonicContact OD1-CE1 2.73Å; D5-H206 PolarHBondContact OD1-CE1 2.79Å; D5-H206 VanDerWaalsContact OD1-CE1 3.23Å; L45-H206 PolarHBondContact O-ND1 3.43Å; D47-H206 IonicContact OD1-CE1 3.06Å; D47-H206 IonicContact OD1-NE2 2.67Å; D47-H206 PolarHBondContact OD1-NE2 2.83Å; D47-H206 IonicContact OD2-CE1 3.92Å; D47-H206 IonicContact OD2-NE2 2.89Å; D47-H206 PolarHBondContact OD2-NE2 3.37Å; V83-H206 HydrophobicContact CG1-CB 4.5Å; V84-H206 WeakPolarHBondContact O-CB 3.27Å; G85-H206 WeakPolarHBondContact CA-CD2 3.44Å; N86-H206 PolarHBondContact OD1-NE2 3.02Å; N86-H206 VanDerWaalsContact OD1-NE2 3.16Å; H206-G261 CarbonylContact O-C 3.35Å; H206-G261 PolarHBondContact O-N 3.09Å; H206-H262 AromaticContact NE2-CG 3.84Å; H206-H262 AromaticContact NE2-ND1 3.35Å; H206-H262 PolarHBondContact NE2-ND1 2.75Å
207F98.7Very high96.4Very high6 Ų631.1 Ų31.13%0.02616%0.164CC..SBendtrans-71.7140178.1-69.3-1.8000112.1N86 F91 S131 Q205 L241 H262N86-F207 HydrophobicContact CB-CE1 4.01Å; N86-F207 HydrophobicContact CB-CZ 3.88Å; N86-F207 WeakPolarHBondContact OD1-CE1 3.46Å; F91-F207 HydrophobicContact CD1-CE2 4.41Å; F91-F207 AromaticContact CD1-CZ 3.93Å; F91-F207 HydrophobicContact CD1-CZ 3.93Å; F91-F207 HydrophobicContact CE1-CE2 4.29Å; F91-F207 AromaticContact CE1-CZ 3.6Å; F91-F207 HydrophobicContact CE1-CZ 3.6Å; S131-F207 PolarHBondContact OG-N 3.45Å; S131-F207 VanDerWaalsContact OG-N 3.13Å; Q205-F207 VanDerWaalsContact CD-O 3.25Å; Q205-F207 VanDerWaalsContact CG-O 3.28Å; Q205-F207 WeakPolarHBondContact CG-O 3.46Å; Q205-F207 PolarHBondContact NE2-O 3.14Å; F207-L241 HydrophobicContact CB-CD2 4.31Å; F207-L241 HydrophobicContact CB-CG 4.3Å; F207-L241 HydrophobicContact CD2-CD2 4.46Å; F207-H262 HydrophobicContact CD1-CB 4Å; F207-H262 AromaticContact CD1-CD2 3.68Å; F207-H262 AromaticContact CD1-CE1 3.9Å; F207-H262 AromaticContact CD1-CG 3.55Å; F207-H262 AromaticContact CD1-ND1 3.71Å; F207-H262 AromaticContact CD1-NE2 3.89Å; F207-H262 AromaticContact CE1-CD2 3.93Å; F207-H262 AromaticContact CE1-CE1 3.35Å; F207-H262 WeakPolarHBondContact CE1-CE1 3.48Å; F207-H262 AromaticContact CE1-CG 3.77Å; F207-H262 AromaticContact CE1-ND1 3.42Å; F207-H262 WeakPolarHBondContact CE1-ND1 3.45Å; F207-H262 AromaticContact CE1-NE2 3.66Å
208P98.5Very high95.9Very high0 Ų029.4 Ų29.40%016%0.155CC..PPolyproline II helixtrans-59.8155.5168.7-19.328.4000111.8C240 L241 T263 E282P208-C240 HydrophobicContact CB-CB 4.37Å; P208-C240 WeakPolarHBondContact O-CA 3.23Å; P208-L241 PolarHBondContact O-N 3.46Å; P208-T263 HydrophobicContact CG-CG2 3.84Å; P208-E282 WeakPolarHBondContact CA-OE1 3.32Å; P208-E282 WeakPolarHBondContact CB-OE1 3.44Å
209L98.2Very high95Very high0 Ų030.2 Ų30.20%017%0.167CC..PPolyproline II helixtrans-58.3160.4163.1-66.5177.5000110.3R211 L241 T246 L249 L250 I258 E282L209-R211 PolarHBondContact O-N 2.75Å; L209-R211 VanDerWaalsContact O-N 3.17Å; L209-L241 HydrophobicContact CD2-CD1 4.2Å; L209-T246 HydrophobicContact CB-CG2 3.86Å; L209-T246 HydrophobicContact CD1-CG2 4.46Å; L209-T246 HydrophobicContact CD2-CG2 4.01Å; L209-T246 HydrophobicContact CG-CG2 4.32Å; L209-L249 HydrophobicContact CD2-CD1 4.31Å; L209-L250 HydrophobicContact CD1-CD2 3.97Å; L209-L250 HydrophobicContact CD1-CG 4.32Å; L209-I258 HydrophobicContact CD1-CB 4.38Å; L209-I258 HydrophobicContact CD1-CD1 3.87Å; L209-I258 HydrophobicContact CD1-CG1 3.85Å; L209-I258 HydrophobicContact CD1-CG2 4.28Å; L209-I258 HydrophobicContact CG-CG2 4.25Å; L209-E282 PolarHBondContact N-OE1 2.85Å
210Y97.8Very high94.3Very high63 Ų6337.4 Ų37.425%0.24720%0.196CC..PPolyproline II helixtrans-54.5124.7-178.6175-94.1000110.9P236 L241 K243 T246Y210-P236 HydrophobicContact CD2-CG 4.18Å; Y210-P236 HydrophobicContact CE2-CG 3.8Å; Y210-L241 WeakPolarHBondContact CB-O 3.24Å; Y210-K243 HydrophobicContact CD1-CD 4.44Å; Y210-K243 HydrophobicContact CD1-CG 3.52Å; Y210-K243 HydrophobicContact CD2-CG 3.63Å; Y210-K243 HydrophobicContact CE1-CD 4.02Å; Y210-K243 HydrophobicContact CE1-CG 3.54Å; Y210-K243 HydrophobicContact CE2-CD 4.37Å; Y210-K243 HydrophobicContact CE2-CG 3.64Å; Y210-K243 HydrophobicContact CG-CB 4.38Å; Y210-K243 HydrophobicContact CG-CG 3.57Å; Y210-K243 WeakPolarHBondContact OH-CE 3.47Å; Y210-T246 WeakPolarHBondContact CB-OG1 3.45Å; Y210-T246 PolarHBondContact N-OG1 3.13Å
211R96.4Very high93.6Very high5 Ų536.8 Ų36.82%0.01920%0.201CC..  trans-147.6138.2170.556.8-180-171.4-142.113.1108.9L209 S213 D214 N234 M269 E282 S284L209-R211 PolarHBondContact O-N 2.75Å; L209-R211 VanDerWaalsContact O-N 3.17Å; R211-S213 VanDerWaalsContact C-N 3.27Å; R211-S213 PolarHBondContact O-N 2.92Å; R211-D214 IonicContact CZ-OD1 2.75Å; R211-D214 VanDerWaalsContact CZ-OD1 3.31Å; R211-D214 IonicContact CZ-OD2 2.75Å; R211-D214 IonicContact NE-OD1 3.14Å; R211-D214 PolarHBondContact NE-OD1 2.99Å; R211-D214 IonicContact NH2-OD1 3.65Å; R211-D214 PolarHBondContact NH2-OD1 3.36Å; R211-D214 VanDerWaalsContact NH2-OD1 3.15Å; R211-D214 IonicContact NH2-OD2 3.04Å; R211-D214 PolarHBondContact NH2-OD2 3.48Å; R211-N234 WeakPolarHBondContact O-CB 3.48Å; R211-N234 PolarHBondContact O-ND2 3.05Å; R211-M269 HydrophobicContact CB-CE 3.83Å; R211-M269 HydrophobicContact CB-SD 3.89Å; R211-M269 WeakPolarHBondContact CD-SD 3.37Å; R211-M269 HydrophobicContact CG-SD 4.2Å; R211-E282 IonicContact NH1-OE2 2.89Å; R211-S284 PolarHBondContact NH1-OG 2.63Å
212S96.4Very high93.1Very high71 Ų7144.1 Ų44.150%0.49724%0.239SC..SBendtrans-67-30-176.257.60000113.3V233 N234S212-V233 WeakPolarHBondContact O-CA 3.48Å; S212-N234 PolarHBondContact O-N 3.21Å
213S96.6Very high92.8Very high18 Ų1844.9 Ų44.913%0.12624%0.242CC..  trans-168.1171.517862.40000109.2R211 R215 R230 T232R211-S213 VanDerWaalsContact C-N 3.27Å; R211-S213 PolarHBondContact O-N 2.92Å; S213-R215 PolarHBondContact O-N 3.11Å; S213-R215 WeakPolarHBondContact OG-CB 3.39Å; S213-R230 WeakPolarHBondContact CB-O 3.46Å; S213-T232 WeakPolarHBondContact CB-O 3.48Å
214D95Very high92.5Very high2 Ų245.5 Ų45.51%0.01125%0.247CC..G310 helixtrans-8615177.2-73.419.1000112.5R211 G216 C217 M225 R230 N234R211-D214 IonicContact CZ-OD1 2.75Å; R211-D214 VanDerWaalsContact CZ-OD1 3.31Å; R211-D214 IonicContact CZ-OD2 2.75Å; R211-D214 IonicContact NE-OD1 3.14Å; R211-D214 PolarHBondContact NE-OD1 2.99Å; R211-D214 IonicContact NH2-OD1 3.65Å; R211-D214 PolarHBondContact NH2-OD1 3.36Å; R211-D214 VanDerWaalsContact NH2-OD1 3.15Å; R211-D214 IonicContact NH2-OD2 3.04Å; R211-D214 PolarHBondContact NH2-OD2 3.48Å; D214-G216 PolarHBondContact O-N 3.35Å; D214-C217 VanDerWaalsContact CA-SG 3.58Å; D214-C217 VanDerWaalsContact CB-SG 3.57Å; D214-C217 VanDerWaalsContact O-CB 3.31Å; D214-C217 WeakPolarHBondContact O-CB 3.22Å; D214-C217 PolarHBondContact O-N 3.28Å; D214-C217 VanDerWaalsContact O-N 3.1Å; D214-C217 PolarHBondContact O-SG 3.26Å; D214-M225 HydrophobicContact CB-CE 4.22Å; D214-M225 HydrophobicContact CB-SD 3.98Å; D214-M225 WeakPolarHBondContact OD2-CE 3.33Å; D214-R230 CarbonylContact C-O 3.55Å; D214-R230 HydrophobicContact CB-CB 4.37Å; D214-R230 HydrophobicContact CB-CG 4.28Å; D214-R230 PolarHBondContact N-O 2.96Å; D214-R230 WeakPolarHBondContact O-CD 3.38Å; D214-N234 PolarHBondContact OD1-ND2 2.94Å
215R93.8Very high92.3Very high183 Ų18346.7 Ų46.769%0.69125%0.253SS*.G310 helixtrans-60.3-32.1-179.6-174.5176.4176177.1-2.9112.7S213 C217 R230S213-R215 PolarHBondContact O-N 3.11Å; S213-R215 WeakPolarHBondContact OG-CB 3.39Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-R230 WeakPolarHBondContact CA-O 3.31Å; R215-R230 PolarHBondContact N-O 2.75Å
216G90.3Very high92Very high57 Ų5749 Ų4959%0.58827%0.268SS*.G310 helixtrans-77.6-11.9178.800000114.6D214D214-G216 PolarHBondContact O-N 3.35Å
217C92.2Very high91.6Very high8 Ų856.1 Ų56.15%0.05430%0.299CS..SBendtrans-67.8147.3-177-54.10000111.5D214 R215 R230 C267D214-C217 VanDerWaalsContact CA-SG 3.58Å; D214-C217 VanDerWaalsContact CB-SG 3.57Å; D214-C217 VanDerWaalsContact O-CB 3.31Å; D214-C217 WeakPolarHBondContact O-CB 3.22Å; D214-C217 PolarHBondContact O-N 3.28Å; D214-C217 VanDerWaalsContact O-N 3.1Å; D214-C217 PolarHBondContact O-SG 3.26Å; R215-C217 VanDerWaalsContact C-N 3.31Å; C217-R230 PolarHBondContact O-NH1 3.25Å; C217-C267 HydrophobicContact CB-CB 3.8Å; C217-C267 WeakPolarHBondContact CB-SG 3.15Å; C217-C267 WeakPolarHBondContact SG-CB 3.35Å; C217-C267 CovalentContact SG-SG 2.02Å; C217-C267 PolarHBondContact SG-SG 3.46Å
218S83.4Confident91.3Very high46 Ų4662.7 Ų62.732%0.32233%0.33SS..  trans-61.6152.2173.4550000112.2K220 R230S218-K220 VanDerWaalsContact C-N 3.3Å; S218-K220 VanDerWaalsContact CB-O 3.3Å; S218-K220 WeakPolarHBondContact CB-O 3.42Å; S218-K220 PolarHBondContact OG-O 3.17Å; S218-R230 VanDerWaalsContact O-CZ 3.3Å; S218-R230 PolarHBondContact O-NH1 3.42Å; S218-R230 PolarHBondContact O-NH2 3Å
219T76.1Confident91Very high86 Ų8665.8 Ų65.853%0.52835%0.346SS..SBendtrans-85.4-5.7178.552.10000113.7K227T219-K227 HydrophobicContact CG2-CD 4.44Å; T219-K227 HydrophobicContact CG2-CG 4.34Å
220K80.8Confident90.8Very high170 Ų17066.5 Ų66.574%0.73935%0.349SS*.  trans-123.1144.5170-60.9-176.8179-176.40106.8S218S218-K220 VanDerWaalsContact C-N 3.3Å; S218-K220 VanDerWaalsContact CB-O 3.3Å; S218-K220 WeakPolarHBondContact CB-O 3.42Å; S218-K220 PolarHBondContact OG-O 3.17Å
221P80.4Confident90.7Very high53 Ų5370.4 Ų70.434%0.34437%0.367SS..SBendcis-76.9177.96.812.4-3.2000115.2D223 A224 S266P221-D223 WeakPolarHBondContact CB-OD1 3.34Å; P221-D223 WeakPolarHBondContact CG-OD1 3.29Å; P221-D223 PolarHBondContact O-N 3.25Å; P221-A224 WeakPolarHBondContact O-CB 3.34Å; P221-A224 PolarHBondContact O-N 2.91Å; P221-S266 WeakPolarHBondContact CD-OG 3.36Å
222I87Confident90.6Very high155 Ų15574.2 Ų74.280%0.79539%0.391SS*.THydrogen-bonded Turntrans-62.7-19.9-175.2-175.1163.7000113.5A224 N295I222-A224 VanDerWaalsContact C-N 3.28Å; I222-N295 PolarHBondContact O-ND2 3.46Å; I222-N295 VanDerWaalsContact O-ND2 3.13Å
223D93Very high90.7Very high20 Ų2076.1 Ų76.111%0.10740%0.399CS..THydrogen-bonded Turntrans-85.96.7174.659.9-7.8000112.9P221 Y265 S266 A286 L293 N295P221-D223 WeakPolarHBondContact CB-OD1 3.34Å; P221-D223 WeakPolarHBondContact CG-OD1 3.29Å; P221-D223 PolarHBondContact O-N 3.25Å; D223-Y265 WeakPolarHBondContact O-CA 3.11Å; D223-Y265 WeakPolarHBondContact O-CB 3.02Å; D223-Y265 WeakPolarHBondContact O-CD1 3.43Å; D223-S266 VanDerWaalsContact CG-OG 3.3Å; D223-S266 PolarHBondContact O-N 3.22Å; D223-S266 VanDerWaalsContact OD1-CB 3.26Å; D223-S266 WeakPolarHBondContact OD1-CB 3.38Å; D223-S266 PolarHBondContact OD1-OG 3.13Å; D223-A286 HydrophobicContact CB-CB 3.71Å; D223-A286 VanDerWaalsContact OD2-CB 3.25Å; D223-A286 WeakPolarHBondContact OD2-CB 3.27Å; D223-L293 HydrophobicContact CB-CD1 4.23Å; D223-N295 VanDerWaalsContact CA-ND2 3.32Å; D223-N295 WeakPolarHBondContact CA-ND2 3.48Å; D223-N295 PolarHBondContact N-ND2 3.4Å
224A93.1Very high90.7Very high12 Ų1276.1 Ų76.110%0.09940%0.398CS..BIsolated β-bridgetrans-77148.7174.500000111.3P221 I222 R230 S266P221-A224 WeakPolarHBondContact O-CB 3.34Å; P221-A224 PolarHBondContact O-N 2.91Å; I222-A224 VanDerWaalsContact C-N 3.28Å; A224-R230 VanDerWaalsContact CB-NH2 3.3Å; A224-S266 WeakPolarHBondContact CA-O 3.35Å; A224-S266 WeakPolarHBondContact CA-OG 3.42Å; A224-S266 PolarHBondContact N-OG 3.42Å
225M93.3Very high90.9Very high25 Ų2582.6 Ų82.612%0.12342%0.422CS..PPolyproline II helixtrans-52.9139.2-176.5-174.9-177.9-71.900111.7D214 K227 L229 R230 Y265D214-M225 HydrophobicContact CB-CE 4.22Å; D214-M225 HydrophobicContact CB-SD 3.98Å; D214-M225 WeakPolarHBondContact OD2-CE 3.33Å; M225-K227 PolarHBondContact O-N 2.66Å; M225-L229 HydrophobicContact CG-CB 3.82Å; M225-L229 VanDerWaalsContact SD-C 3.58Å; M225-L229 HydrophobicContact SD-CB 3.77Å; M225-R230 HydrophobicContact CB-CG 3.99Å; M225-R230 HydrophobicContact CG-CG 4.04Å; M225-R230 PolarHBondContact O-NE 3.26Å; M225-R230 PolarHBondContact O-NH2 3.44Å; M225-R230 HydrophobicContact SD-CB 4.48Å; M225-R230 HydrophobicContact SD-CG 4.02Å; M225-Y265 VanDerWaalsContact CA-CD1 3.42Å; M225-Y265 HydrophobicContact CB-CD1 4.13Å; M225-Y265 HydrophobicContact CB-CD2 3.85Å; M225-Y265 HydrophobicContact CB-CE2 4.5Å; M225-Y265 HydrophobicContact CB-CG 3.69Å; M225-Y265 HydrophobicContact CE-CD2 3.72Å; M225-Y265 HydrophobicContact CE-CE2 4.2Å; M225-Y265 HydrophobicContact CG-CD2 3.97Å; M225-Y265 HydrophobicContact CG-CE2 4.2Å; M225-Y265 HydrophobicContact CG-CG 4.28Å
226P91.9Very high91Very high48 Ų4876.7 Ų76.731%0.31241%0.407SS..PPolyproline II helixtrans-54.7136.4173.3-28.134.7000112.4H228 L229 R230P226-H228 VanDerWaalsContact CB-CE1 3.47Å; P226-H228 WeakPolarHBondContact CB-CE1 3.27Å; P226-H228 PolarHBondContact O-N 3.24Å; P226-L229 HydrophobicContact CB-CD1 4.35Å; P226-L229 HydrophobicContact CB-CG 4.41Å; P226-L229 HydrophobicContact CG-CD1 4.16Å; P226-L229 PolarHBondContact O-N 3.06Å; P226-R230 PolarHBondContact O-N 3.32Å
227K91.2Very high91.3Very high151 Ų15177.8 Ų77.866%0.65740%0.396SS*.THydrogen-bonded Turntrans-51.5-33.8-173.9-75.5-177176.7177.50114.6T219 M225T219-K227 HydrophobicContact CG2-CD 4.44Å; T219-K227 HydrophobicContact CG2-CG 4.34Å; M225-K227 PolarHBondContact O-N 2.66Å
228H91.9Very high91.6Very high144 Ų14480.3 Ų80.367%0.66741%0.409SS*.THydrogen-bonded Turntrans-73.2-29.3-178.566.1-85.8000112.7P226P226-H228 VanDerWaalsContact CB-CE1 3.47Å; P226-H228 WeakPolarHBondContact CB-CE1 3.27Å; P226-H228 PolarHBondContact O-N 3.24Å
229L93.3Very high92.2Very high65 Ų6579.8 Ų79.834%0.3440%0.402SS..G310 helixtrans-81.9-23.2177.8-60.5179.6000112.7M225 P226 K231 T232M225-L229 HydrophobicContact CG-CB 3.82Å; M225-L229 VanDerWaalsContact SD-C 3.58Å; M225-L229 HydrophobicContact SD-CB 3.77Å; P226-L229 HydrophobicContact CB-CD1 4.35Å; P226-L229 HydrophobicContact CB-CG 4.41Å; P226-L229 HydrophobicContact CG-CD1 4.16Å; P226-L229 PolarHBondContact O-N 3.06Å; L229-K231 PolarHBondContact O-N 3.29Å; L229-T232 VanDerWaalsContact O-CB 3.27Å; L229-T232 WeakPolarHBondContact O-CB 3.25Å; L229-T232 PolarHBondContact O-N 2.78Å; L229-T232 PolarHBondContact O-OG1 2.7Å
230R93.6Very high93.3Very high15 Ų1575.7 Ų75.76%0.05738%0.377CS..G310 helixtrans-61.9-15.3-178.2-68.3-178.4-162.9-152.9-11.4115.2S213 D214 R215 C217 S218 A224 M225 P226S213-R230 WeakPolarHBondContact CB-O 3.46Å; D214-R230 CarbonylContact C-O 3.55Å; D214-R230 HydrophobicContact CB-CB 4.37Å; D214-R230 HydrophobicContact CB-CG 4.28Å; D214-R230 PolarHBondContact N-O 2.96Å; D214-R230 WeakPolarHBondContact O-CD 3.38Å; R215-R230 WeakPolarHBondContact CA-O 3.31Å; R215-R230 PolarHBondContact N-O 2.75Å; C217-R230 PolarHBondContact O-NH1 3.25Å; S218-R230 VanDerWaalsContact O-CZ 3.3Å; S218-R230 PolarHBondContact O-NH1 3.42Å; S218-R230 PolarHBondContact O-NH2 3Å; A224-R230 VanDerWaalsContact CB-NH2 3.3Å; M225-R230 HydrophobicContact CB-CG 3.99Å; M225-R230 HydrophobicContact CG-CG 4.04Å; M225-R230 PolarHBondContact O-NE 3.26Å; M225-R230 PolarHBondContact O-NH2 3.44Å; M225-R230 HydrophobicContact SD-CB 4.48Å; M225-R230 HydrophobicContact SD-CG 4.02Å; P226-R230 PolarHBondContact O-N 3.32Å
231K94.6Very high94.1Very high144 Ų14467.8 Ų67.863%0.62634%0.343SS*.G310 helixtrans-87.6-8.1177.8-64.2-178.4-177.5177.30112.7L229 V233L229-K231 PolarHBondContact O-N 3.29Å; K231-V233 PolarHBondContact O-N 2.94Å
232T95.6Very high95Very high86 Ų8665.5 Ų65.553%0.52833%0.328SS..SBendtrans-59.1131.2175.3-58.30000109.1S213 L229 N234S213-T232 WeakPolarHBondContact CB-O 3.48Å; L229-T232 VanDerWaalsContact O-CB 3.27Å; L229-T232 WeakPolarHBondContact O-CB 3.25Å; L229-T232 PolarHBondContact O-N 2.78Å; L229-T232 PolarHBondContact O-OG1 2.7Å; T232-N234 PolarHBondContact O-N 3.21Å
233V97.4Very high95.5Very high111 Ų11163.7 Ų63.767%0.67332%0.315SS*.PPolyproline II helixtrans-74.5123179.7178.40000108.2S212 K231S212-V233 WeakPolarHBondContact O-CA 3.48Å; K231-V233 PolarHBondContact O-N 2.94Å
234N97.5Very high95.7Very high17 Ų1769.2 Ų69.29%0.09134%0.34CS..PPolyproline II helixtrans-73.5133.5174-68.2-22.3000109.4R211 S212 D214 T232 P236 D239R211-N234 WeakPolarHBondContact O-CB 3.48Å; R211-N234 PolarHBondContact O-ND2 3.05Å; S212-N234 PolarHBondContact O-N 3.21Å; D214-N234 PolarHBondContact OD1-ND2 2.94Å; T232-N234 PolarHBondContact O-N 3.21Å; N234-P236 WeakPolarHBondContact O-CD 3.46Å; N234-D239 HydrophobicContact CB-CB 4.03Å
235R97.7Very high95.9Very high139 Ų13968.8 Ų68.853%0.52534%0.336SS..PPolyproline II helixtrans-86.5117.2173.7-60166.8-63.5168.77.3108.4L238 D239R235-L238 HydrophobicContact CB-CB 4.1Å; R235-L238 HydrophobicContact CB-CD1 4.15Å; R235-L238 PolarHBondContact O-N 3.36Å; R235-D239 VanDerWaalsContact CB-OD2 3.24Å; R235-D239 WeakPolarHBondContact CB-OD2 3.06Å; R235-D239 WeakPolarHBondContact CG-OD2 3.2Å; R235-D239 IonicContact CZ-OD1 2.97Å; R235-D239 IonicContact CZ-OD2 2.7Å; R235-D239 PolarHBondContact N-OD2 2.98Å; R235-D239 IonicContact NE-OD1 2.74Å; R235-D239 IonicContact NE-OD2 2.98Å; R235-D239 PolarHBondContact NE-OD2 2.8Å; R235-D239 IonicContact NH2-OD1 3.52Å; R235-D239 PolarHBondContact NH2-OD1 2.98Å; R235-D239 IonicContact NH2-OD2 3.98Å; R235-D239 PolarHBondContact O-N 3.37Å
236P97.7Very high96.1Very high59 Ų5968 Ų6838%0.38333%0.333SS..BIsolated β-bridgetrans-57.3147174-24.537000110.8Y210 N234 L238 C240Y210-P236 HydrophobicContact CD2-CG 4.18Å; Y210-P236 HydrophobicContact CE2-CG 3.8Å; N234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-L238 PolarHBondContact O-N 2.93Å; P236-C240 CarbonylContact C-O 3.57Å
237K96.6Very high96.4Very high79 Ų7971.5 Ų71.534%0.34334%0.343SS..THydrogen-bonded Turntrans70-2.8-176.9-55.7154.3157.8-130.10115.2E135 C240E135-K237 VanDerWaalsContact O-CE 3.29Å; E135-K237 WeakPolarHBondContact O-CE 3.29Å; E135-K237 PolarHBondContact O-NZ 2.85Å; E135-K237 WeakPolarHBondContact OE1-CD 3.46Å; E135-K237 VanDerWaalsContact OE1-CE 3.32Å; E135-K237 WeakPolarHBondContact OE1-CE 3.43Å; E135-K237 IonicContact OE1-NZ 3.03Å; E135-K237 PolarHBondContact OE1-NZ 3.29Å; K237-C240 WeakPolarHBondContact CA-O 3.35Å; K237-C240 PolarHBondContact N-O 3Å
238L97.1Very high96.7Very high62 Ų6267 Ų6733%0.32533%0.325SS..THydrogen-bonded Turntrans-122.2-51.3176.3-74.7166.4000111.9F91 R235 P236 H262F91-L238 HydrophobicContact CD1-CD2 3.96Å; F91-L238 HydrophobicContact CE1-CD2 3.77Å; F91-L238 HydrophobicContact CG-CD2 4.47Å; F91-L238 HydrophobicContact CZ-CD2 4.13Å; R235-L238 HydrophobicContact CB-CB 4.1Å; R235-L238 HydrophobicContact CB-CD1 4.15Å; R235-L238 PolarHBondContact O-N 3.36Å; P236-L238 PolarHBondContact O-N 2.93Å; L238-H262 PolarHBondContact O-CE1 3.37Å; L238-H262 PolarHBondContact O-NE2 2.9Å
239D97.4Very high97Very high35 Ų3560.2 Ų60.219%0.18729%0.293CS..THydrogen-bonded Turntrans-104.8-18-174.9-49.9-38.2000111.6N234 R235 H262N234-D239 HydrophobicContact CB-CB 4.03Å; R235-D239 VanDerWaalsContact CB-OD2 3.24Å; R235-D239 WeakPolarHBondContact CB-OD2 3.06Å; R235-D239 WeakPolarHBondContact CG-OD2 3.2Å; R235-D239 IonicContact CZ-OD1 2.97Å; R235-D239 IonicContact CZ-OD2 2.7Å; R235-D239 PolarHBondContact N-OD2 2.98Å; R235-D239 IonicContact NE-OD1 2.74Å; R235-D239 IonicContact NE-OD2 2.98Å; R235-D239 PolarHBondContact NE-OD2 2.8Å; R235-D239 IonicContact NH2-OD1 3.52Å; R235-D239 PolarHBondContact NH2-OD1 2.98Å; R235-D239 IonicContact NH2-OD2 3.98Å; R235-D239 PolarHBondContact O-N 3.37Å; D239-H262 PolarHBondContact O-CD2 3.29Å
240C98Very high97.1Very high0 Ų057.6 Ų57.60%028%0.28CS..BIsolated β-bridgetrans-160.6170.3175.259.70000110.2P208 P236 K237P208-C240 HydrophobicContact CB-CB 4.37Å; P208-C240 WeakPolarHBondContact O-CA 3.23Å; P236-C240 CarbonylContact C-O 3.57Å; K237-C240 WeakPolarHBondContact CA-O 3.35Å; K237-C240 PolarHBondContact N-O 3Å
241L98.4Very high97.2Very high4 Ų461.9 Ų61.92%0.02130%0.3CS..  trans-62.2160.5172.6-70.4-176.1000112.6F134 F207 P208 L209 Y210 A245 L249F134-L241 HydrophobicContact CB-CD2 4.12Å; F207-L241 HydrophobicContact CB-CD2 4.31Å; F207-L241 HydrophobicContact CB-CG 4.3Å; F207-L241 HydrophobicContact CD2-CD2 4.46Å; P208-L241 PolarHBondContact O-N 3.46Å; L209-L241 HydrophobicContact CD2-CD1 4.2Å; Y210-L241 WeakPolarHBondContact CB-O 3.24Å; L241-A245 HydrophobicContact CB-CB 4.32Å; L241-L249 HydrophobicContact CD1-CD1 3.71Å
242S98.2Very high97.3Very high5 Ų557.2 Ų57.24%0.03529%0.286CS..  trans-65.5160.3170.468.70000111.6E244 A245 T246S242-E244 WeakPolarHBondContact CB-OE2 3.49Å; S242-E244 PolarHBondContact O-N 2.7Å; S242-A245 PolarHBondContact O-N 3.15Å; S242-A245 WeakPolarHBondContact OG-CB 3.05Å; S242-A245 PolarHBondContact OG-N 2.82Å; S242-T246 VanDerWaalsContact O-CB 3.28Å; S242-T246 WeakPolarHBondContact O-CB 3.42Å; S242-T246 PolarHBondContact O-N 3.07Å; S242-T246 PolarHBondContact O-OG1 2.82Å
243K97.3Very high97.4Very high117 Ų11753.5 Ų53.551%0.50926%0.262SS..Hα-helixtrans-59.2-39.6173.6-75.3-177.4-179.1179.90110.5Y210 T246 K247Y210-K243 HydrophobicContact CD1-CD 4.44Å; Y210-K243 HydrophobicContact CD1-CG 3.52Å; Y210-K243 HydrophobicContact CD2-CG 3.63Å; Y210-K243 HydrophobicContact CE1-CD 4.02Å; Y210-K243 HydrophobicContact CE1-CG 3.54Å; Y210-K243 HydrophobicContact CE2-CD 4.37Å; Y210-K243 HydrophobicContact CE2-CG 3.64Å; Y210-K243 HydrophobicContact CG-CB 4.38Å; Y210-K243 HydrophobicContact CG-CG 3.57Å; Y210-K243 WeakPolarHBondContact OH-CE 3.47Å; K243-T246 PolarHBondContact O-N 2.74Å; K243-K247 VanDerWaalsContact O-CB 3.29Å; K243-K247 WeakPolarHBondContact O-CB 3.39Å; K243-K247 PolarHBondContact O-N 3.23Å
244E97.5Very high97.4Very high135 Ų13551.6 Ų51.663%0.63124%0.243SC*.Hα-helixtrans-66.7-49.4-177.1-62.866.7-143.200110.6S242 T246 K247 Q248S242-E244 WeakPolarHBondContact CB-OE2 3.49Å; S242-E244 PolarHBondContact O-N 2.7Å; E244-T246 PolarHBondContact O-N 3.35Å; E244-K247 PolarHBondContact O-N 3.18Å; E244-Q248 WeakPolarHBondContact O-CB 3.46Å; E244-Q248 PolarHBondContact O-N 3.17Å
245A98.1Very high97.4Very high4 Ų450.8 Ų50.83%0.03324%0.239CC..Hα-helixtrans-62.4-43.2175.900000112F134 L241 S242 K247 Q248 L249F134-A245 HydrophobicContact CB-CB 3.87Å; L241-A245 HydrophobicContact CB-CB 4.32Å; S242-A245 PolarHBondContact O-N 3.15Å; S242-A245 WeakPolarHBondContact OG-CB 3.05Å; S242-A245 PolarHBondContact OG-N 2.82Å; A245-K247 PolarHBondContact O-N 3.21Å; A245-Q248 WeakPolarHBondContact O-CB 3.34Å; A245-Q248 PolarHBondContact O-N 3.17Å; A245-L249 WeakPolarHBondContact O-CG 3.19Å; A245-L249 PolarHBondContact O-N 3.08Å
246T98Very high97.3Very high9 Ų949.5 Ų49.56%0.05523%0.234CC..Hα-helixtrans-59.8-48.4177.2-63.20000111.3L209 Y210 S242 K243 E244 Q248 L249 L250L209-T246 HydrophobicContact CB-CG2 3.86Å; L209-T246 HydrophobicContact CD1-CG2 4.46Å; L209-T246 HydrophobicContact CD2-CG2 4.01Å; L209-T246 HydrophobicContact CG-CG2 4.32Å; Y210-T246 WeakPolarHBondContact CB-OG1 3.45Å; Y210-T246 PolarHBondContact N-OG1 3.13Å; S242-T246 VanDerWaalsContact O-CB 3.28Å; S242-T246 WeakPolarHBondContact O-CB 3.42Å; S242-T246 PolarHBondContact O-N 3.07Å; S242-T246 PolarHBondContact O-OG1 2.82Å; K243-T246 PolarHBondContact O-N 2.74Å; E244-T246 PolarHBondContact O-N 3.35Å; T246-Q248 PolarHBondContact O-N 3.36Å; T246-L249 PolarHBondContact O-N 3.01Å; T246-L250 HydrophobicContact CG2-CD1 3.82Å; T246-L250 HydrophobicContact CG2-CG 4.47Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 VanDerWaalsContact O-CG 3.27Å; T246-L250 WeakPolarHBondContact O-CG 3.43Å; T246-L250 PolarHBondContact O-N 3.29Å
247K96.8Very high97.3Very high121 Ų12148.3 Ų48.353%0.52622%0.224SC..Hα-helixtrans-59.7-47.2176.5-177.4-179177-1740110.9K243 E244 A245 L249 L250 E251K243-K247 VanDerWaalsContact O-CB 3.29Å; K243-K247 WeakPolarHBondContact O-CB 3.39Å; K243-K247 PolarHBondContact O-N 3.23Å; E244-K247 PolarHBondContact O-N 3.18Å; A245-K247 PolarHBondContact O-N 3.21Å; K247-L249 PolarHBondContact O-N 3.25Å; K247-L250 PolarHBondContact O-N 3.29Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 WeakPolarHBondContact CE-OE2 3.21Å; K247-E251 HydrophobicContact CG-CG 4.19Å; K247-E251 IonicContact NZ-OE1 2.99Å; K247-E251 WeakPolarHBondContact O-CB 3.19Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 3.38Å
248Q97.3Very high97.4Very high57 Ų5744.5 Ų44.527%0.26621%0.208SC..Hα-helixtrans-57.1-48.9179.3-175.2-172.432.500111.9N146 L149 E244 A245 T246 S252N146-Q248 PolarHBondContact OD1-NE2 3.09Å; N146-Q248 PolarHBondContact OD1-OE1 3.3Å; L149-Q248 HydrophobicContact CD2-CG 3.86Å; E244-Q248 WeakPolarHBondContact O-CB 3.46Å; E244-Q248 PolarHBondContact O-N 3.17Å; A245-Q248 WeakPolarHBondContact O-CB 3.34Å; A245-Q248 PolarHBondContact O-N 3.17Å; T246-Q248 PolarHBondContact O-N 3.36Å; Q248-S252 WeakPolarHBondContact O-CB 3.42Å; Q248-S252 PolarHBondContact O-N 2.8Å; Q248-S252 PolarHBondContact O-OG 3.04Å
249L97.9Very high97.4Very high0 Ų041.8 Ų41.80%019%0.193CC..Hα-helixtrans-64.5-45179.5-72.1172.9000111.9I116 F134 L149 I203 L209 L241 A245 T246 K247 L253I116-L249 HydrophobicContact CD1-CD2 4.36Å; F134-L249 HydrophobicContact CD1-CD2 4.46Å; F134-L249 HydrophobicContact CD1-CG 4.5Å; F134-L249 HydrophobicContact CE1-CD2 3.78Å; F134-L249 HydrophobicContact CE1-CG 4.27Å; F134-L249 HydrophobicContact CZ-CD2 3.84Å; L149-L249 HydrophobicContact CD1-CD2 4.27Å; L149-L249 HydrophobicContact CD2-CD2 4.16Å; I203-L249 HydrophobicContact CD1-CB 4.3Å; L209-L249 HydrophobicContact CD2-CD1 4.31Å; L241-L249 HydrophobicContact CD1-CD1 3.71Å; A245-L249 WeakPolarHBondContact O-CG 3.19Å; A245-L249 PolarHBondContact O-N 3.08Å; T246-L249 PolarHBondContact O-N 3.01Å; K247-L249 PolarHBondContact O-N 3.25Å; L249-L253 HydrophobicContact CD2-CD1 4.21Å; L249-L253 WeakPolarHBondContact O-CB 3.35Å; L249-L253 PolarHBondContact O-N 3.49Å
250L97.3Very high97.5Very high11 Ų1140.1 Ų40.16%0.05819%0.185CC..Hα-helixtrans-64.4-43.4-179.9-72174.2000112.3L209 T246 K247 R254 P255 I258 H271 F273 A280L209-L250 HydrophobicContact CD1-CD2 3.97Å; L209-L250 HydrophobicContact CD1-CG 4.32Å; T246-L250 HydrophobicContact CG2-CD1 3.82Å; T246-L250 HydrophobicContact CG2-CG 4.47Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 VanDerWaalsContact O-CG 3.27Å; T246-L250 WeakPolarHBondContact O-CG 3.43Å; T246-L250 PolarHBondContact O-N 3.29Å; K247-L250 PolarHBondContact O-N 3.29Å; L250-R254 VanDerWaalsContact O-CA 3.28Å; L250-R254 WeakPolarHBondContact O-CA 3.45Å; L250-R254 PolarHBondContact O-N 3.33Å; L250-P255 HydrophobicContact CD2-CG 4.1Å; L250-I258 HydrophobicContact CD2-CD1 4.39Å; L250-H271 HydrophobicContact CD1-CB 3.96Å; L250-H271 HydrophobicContact CD2-CB 4.3Å; L250-F273 HydrophobicContact CB-CD1 4.16Å; L250-F273 HydrophobicContact CB-CE1 4.24Å; L250-F273 HydrophobicContact CD2-CD1 4.48Å; L250-F273 HydrophobicContact CD2-CE1 3.92Å; L250-A280 HydrophobicContact CD2-CB 4.2Å
251E95.4Very high97.5Very high104 Ų10440.1 Ų40.149%0.48619%0.185SC..Hα-helixtrans-71.6-39.6179.5-71.518016500112K247K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 WeakPolarHBondContact CE-OE2 3.21Å; K247-E251 HydrophobicContact CG-CG 4.19Å; K247-E251 IonicContact NZ-OE1 2.99Å; K247-E251 WeakPolarHBondContact O-CB 3.19Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 3.38Å
252S96.7Very high97.4Very high47 Ų4741.1 Ų41.133%0.32919%0.189SC..Hα-helixtrans-74.5-38.5-176.6-52.90000112.8Q248Q248-S252 WeakPolarHBondContact O-CB 3.42Å; Q248-S252 PolarHBondContact O-N 2.8Å; Q248-S252 PolarHBondContact O-OG 3.04Å
253L97.3Very high97.3Very high7 Ų741.8 Ų41.84%0.03719%0.193CC..Hα-helixtrans-108.1-22.3-170.4-61.5173.8000113.5V127 L149 I152 L156 P201 I203 L249 P255V127-L253 HydrophobicContact CB-CD1 4.17Å; V127-L253 HydrophobicContact CG1-CD1 3.8Å; V127-L253 HydrophobicContact CG2-CD1 4.24Å; V127-L253 HydrophobicContact CG2-CD2 4.25Å; L149-L253 HydrophobicContact CD1-CD1 3.83Å; L149-L253 HydrophobicContact CD1-CD2 3.78Å; L149-L253 HydrophobicContact CD1-CG 3.74Å; I152-L253 HydrophobicContact CG2-CD2 4.02Å; L156-L253 HydrophobicContact CD1-CD2 4Å; P201-L253 WeakPolarHBondContact CD-O 3.43Å; P201-L253 HydrophobicContact CG-CB 4.11Å; P201-L253 VanDerWaalsContact CG-O 3.24Å; P201-L253 WeakPolarHBondContact CG-O 3.38Å; I203-L253 HydrophobicContact CD1-CB 4.42Å; I203-L253 HydrophobicContact CD1-CD1 3.73Å; I203-L253 HydrophobicContact CG1-CD1 3.95Å; L249-L253 HydrophobicContact CD2-CD1 4.21Å; L249-L253 WeakPolarHBondContact O-CB 3.35Å; L249-L253 PolarHBondContact O-N 3.49Å; L253-P255 VanDerWaalsContact C-N 3.33Å
254R96.1Very high97.2Very high71 Ų7138.4 Ų38.427%0.26818%0.179SC..  trans42.453-174.2-64.1-167.566101.53.1113.4R200 L250 F273 D278R200-R254 PolarHBondContact NE-O 2.99Å; R200-R254 PolarHBondContact NH2-O 3.04Å; L250-R254 VanDerWaalsContact O-CA 3.28Å; L250-R254 WeakPolarHBondContact O-CA 3.45Å; L250-R254 PolarHBondContact O-N 3.33Å; R254-F273 HydrophobicContact CB-CE1 4.38Å; R254-D278 IonicContact CZ-OD2 3.51Å; R254-D278 IonicContact NH2-OD2 3.06Å; R254-D278 PolarHBondContact NH2-OD2 2.77Å
255P97.8Very high97.2Very high0 Ų034.5 Ų34.50%016%0.159CC..  trans-62.3155.4-170.929.7-40.4000113.1P201 I203 L250 L253 I258 F273 A280P201-P255 CarbonylContact O-C 3.57Å; P201-P255 WeakPolarHBondContact O-CA 3.32Å; P201-P255 WeakPolarHBondContact O-CB 3.29Å; I203-P255 HydrophobicContact CD1-CB 3.98Å; I203-P255 HydrophobicContact CD1-CG 3.69Å; I203-P255 HydrophobicContact CG1-CB 3.93Å; I203-P255 HydrophobicContact CG1-CG 4.21Å; L250-P255 HydrophobicContact CD2-CG 4.1Å; L253-P255 VanDerWaalsContact C-N 3.33Å; P255-I258 HydrophobicContact CB-CD1 4.42Å; P255-I258 HydrophobicContact CB-CG1 4.39Å; P255-I258 HydrophobicContact CG-CD1 3.81Å; P255-I258 HydrophobicContact CG-CG1 3.98Å; P255-F273 WeakPolarHBondContact O-CZ 3.39Å; P255-A280 HydrophobicContact CG-CB 4.26Å
256R95.8Very high97Very high112 Ų11234.5 Ų34.542%0.42316%0.159SC..SBendtrans-85.5-29.2169.966.2-175.8-178.1173.55.2112.7I124 R200 P201 V202I124-R256 VanDerWaalsContact CG1-NH2 3.34Å; R200-R256 HydrophobicContact CB-CB 3.91Å; R200-R256 HydrophobicContact CB-CG 4.37Å; R200-R256 WeakPolarHBondContact O-CD 3.09Å; R200-R256 WeakPolarHBondContact O-CG 3.15Å; R200-R256 PolarHBondContact O-NE 3.41Å; P201-R256 PolarHBondContact O-N 3.27Å; V202-R256 HydrophobicContact CG2-CG 4.18Å
257L97.9Very high96.9Very high34 Ų3434 Ų3418%0.17816%0.156CC..EExtended strand (participates in β ladder)trans-148141.9-176176.865.2000108.9V202 I203 L259 V281V202-L257 CarbonylContact C-O 3.53Å; V202-L257 VanDerWaalsContact CA-O 3.3Å; V202-L257 WeakPolarHBondContact CA-O 3.45Å; V202-L257 HydrophobicContact CG1-CB 4.14Å; V202-L257 HydrophobicContact CG1-CD2 4.12Å; V202-L257 HydrophobicContact CG1-CG 4.15Å; V202-L257 HydrophobicContact CG2-CB 4.24Å; I203-L257 PolarHBondContact N-O 3.47Å; L257-L259 HydrophobicContact CD1-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CD1 4.27Å; L257-L259 HydrophobicContact CD2-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CG 4.07Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4.11Å; L257-V281 CarbonylContact C-O 3.58Å; L257-V281 WeakPolarHBondContact CA-O 3.46Å
258I98.6Very high96.9Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-119.7133.4168.2-56.195.5000107.5I203 L209 L250 P255 A280 V281 E282 W283I203-I258 HydrophobicContact CB-CB 4.47Å; I203-I258 HydrophobicContact CB-CG1 4.11Å; I203-I258 HydrophobicContact CB-CG2 4.18Å; I203-I258 HydrophobicContact CD1-CG1 4.35Å; I203-I258 HydrophobicContact CG2-CG2 4.24Å; I203-I258 WeakPolarHBondContact O-CA 3.35Å; L209-I258 HydrophobicContact CD1-CB 4.38Å; L209-I258 HydrophobicContact CD1-CD1 3.87Å; L209-I258 HydrophobicContact CD1-CG1 3.85Å; L209-I258 HydrophobicContact CD1-CG2 4.28Å; L209-I258 HydrophobicContact CG-CG2 4.25Å; L250-I258 HydrophobicContact CD2-CD1 4.39Å; P255-I258 HydrophobicContact CB-CD1 4.42Å; P255-I258 HydrophobicContact CB-CG1 4.39Å; P255-I258 HydrophobicContact CG-CD1 3.81Å; P255-I258 HydrophobicContact CG-CG1 3.98Å; I258-A280 HydrophobicContact CD1-CB 3.44Å; I258-A280 VanDerWaalsContact CD1-CB 3.44Å; I258-V281 PolarHBondContact N-O 2.85Å; I258-E282 HydrophobicContact CB-CB 4.07Å; I258-E282 HydrophobicContact CB-CG 4.09Å; I258-E282 HydrophobicContact CG2-CG 4.12Å; I258-E282 CarbonylContact O-C 3.53Å; I258-E282 WeakPolarHBondContact O-CA 3.4Å; I258-W283 PolarHBondContact O-N 2.87Å
259L98.7Very high96.7Very high4 Ų431.8 Ų31.82%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-117.7126173.4-60.5177.1000108.7V2 L45 V202 I203 L204 Q205 L257 W283 L299V2-L259 HydrophobicContact CG1-CD1 4.32Å; V2-L259 HydrophobicContact CG2-CD1 3.97Å; L45-L259 HydrophobicContact CD1-CB 3.93Å; V202-L259 HydrophobicContact CG1-CD1 4.37Å; V202-L259 HydrophobicContact CG1-CG 4.43Å; I203-L259 PolarHBondContact O-N 3.3Å; L204-L259 HydrophobicContact CD2-CB 3.91Å; L204-L259 HydrophobicContact CD2-CD1 3.74Å; L204-L259 HydrophobicContact CD2-CG 4.21Å; Q205-L259 PolarHBondContact N-O 3.33Å; Q205-L259 VanDerWaalsContact N-O 3.13Å; L257-L259 HydrophobicContact CD1-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CD1 4.27Å; L257-L259 HydrophobicContact CD2-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CG 4.07Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4.11Å; L259-W283 WeakPolarHBondContact CA-O 3.28Å; L259-W283 HydrophobicContact CD2-CB 3.83Å; L259-L299 HydrophobicContact CD2-CD2 3.77Å
260S98.5Very high96.5Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-130.9169.2-179.184.80000112.1L45 Q205 W283 S284 V285L45-S260 WeakPolarHBondContact CD1-O 3.24Å; Q205-S260 VanDerWaalsContact O-CA 3.32Å; Q205-S260 WeakPolarHBondContact O-CA 3.45Å; S260-W283 PolarHBondContact N-O 3.11Å; S260-S284 CarbonylContact O-C 3.4Å; S260-S284 WeakPolarHBondContact O-CA 3.34Å; S260-S284 WeakPolarHBondContact OG-CA 3.47Å; S260-S284 WeakPolarHBondContact OG-CB 3.13Å; S260-S284 PolarHBondContact OG-OG 2.95Å; S260-V285 PolarHBondContact O-N 3.37Å
261G97.6Very high96.4Very high0 Ų035.8 Ų35.80%017%0.173CC..  trans-124-129.8171.800000111.1H206 T263H206-G261 CarbonylContact O-C 3.35Å; H206-G261 PolarHBondContact O-N 3.09Å; G261-T263 PolarHBondContact O-N 3.46Å
262H97.8Very high96.3Very high25 Ų2537.5 Ų37.512%0.11618%0.181CC..SBendtrans72.3-44.7165.2-174.660.1000116.2D5 N86 H206 F207 L238 D239 H264D5-H262 WeakPolarHBondContact OD1-CA 3.3Å; D5-H262 PolarHBondContact OD1-N 3.36Å; D5-H262 VanDerWaalsContact OD1-N 3.11Å; D5-H262 PolarHBondContact OD2-N 3.1Å; D5-H262 VanDerWaalsContact OD2-N 3.12Å; N86-H262 PolarHBondContact OD1-ND1 3.03Å; H206-H262 AromaticContact NE2-CG 3.84Å; H206-H262 AromaticContact NE2-ND1 3.35Å; H206-H262 PolarHBondContact NE2-ND1 2.75Å; F207-H262 HydrophobicContact CD1-CB 4Å; F207-H262 AromaticContact CD1-CD2 3.68Å; F207-H262 AromaticContact CD1-CE1 3.9Å; F207-H262 AromaticContact CD1-CG 3.55Å; F207-H262 AromaticContact CD1-ND1 3.71Å; F207-H262 AromaticContact CD1-NE2 3.89Å; F207-H262 AromaticContact CE1-CD2 3.93Å; F207-H262 AromaticContact CE1-CE1 3.35Å; F207-H262 WeakPolarHBondContact CE1-CE1 3.48Å; F207-H262 AromaticContact CE1-CG 3.77Å; F207-H262 AromaticContact CE1-ND1 3.42Å; F207-H262 WeakPolarHBondContact CE1-ND1 3.45Å; F207-H262 AromaticContact CE1-NE2 3.66Å; L238-H262 PolarHBondContact O-CE1 3.37Å; L238-H262 PolarHBondContact O-NE2 2.9Å; D239-H262 PolarHBondContact O-CD2 3.29Å; H262-H264 PolarHBondContact O-CD2 2.98Å; H262-H264 VanDerWaalsContact O-CD2 3.23Å; H262-H264 PolarHBondContact O-N 3.39Å
263T94.8Very high96Very high20 Ų2035.6 Ų35.612%0.12317%0.167CC..SBendtrans-75.8-7.4179.460.60000112.9P208 G261 Y265P208-T263 HydrophobicContact CG-CG2 3.84Å; G261-T263 PolarHBondContact O-N 3.46Å; T263-Y265 WeakPolarHBondContact O-CD2 3.36Å; T263-Y265 PolarHBondContact O-N 2.9Å; T263-Y265 PolarHBondContact OG1-O 2.92Å
264H96.2Very high95.1Very high46 Ų4637.3 Ų37.321%0.21319%0.186CC..SBendtrans62.6-11.7-173.2-49.4164.3000115.4D5 H7 H262 A286 S287 N292 L293D5-H264 IonicContact OD1-CD2 3.74Å; D5-H264 IonicContact OD2-CD2 3.72Å; H7-H264 AromaticContact NE2-NE2 3.37Å; H7-H264 PolarHBondContact NE2-NE2 3.37Å; H262-H264 PolarHBondContact O-CD2 2.98Å; H262-H264 VanDerWaalsContact O-CD2 3.23Å; H262-H264 PolarHBondContact O-N 3.39Å; H264-A286 CarbonylContact O-C 3.58Å; H264-A286 VanDerWaalsContact O-CA 3.29Å; H264-A286 WeakPolarHBondContact O-CA 3.28Å; H264-S287 PolarHBondContact O-N 3.16Å; H264-N292 HydrophobicContact CB-CB 4Å; H264-N292 VanDerWaalsContact CE1-CG 3.45Å; H264-N292 PolarHBondContact CE1-ND2 2.96Å; H264-N292 PolarHBondContact CE1-OD1 3.5Å; H264-N292 PolarHBondContact NE2-ND2 3.46Å; H264-L293 WeakPolarHBondContact O-CD1 3.42Å
265Y95.7Very high93.9Very high52 Ų5242.5 Ų42.520%0.20422%0.219CC..SBendtrans-110.7151.8-177.8-63.2-80.6000111.6D223 M225 T263 C267 L293D223-Y265 WeakPolarHBondContact O-CA 3.11Å; D223-Y265 WeakPolarHBondContact O-CB 3.02Å; D223-Y265 WeakPolarHBondContact O-CD1 3.43Å; M225-Y265 VanDerWaalsContact CA-CD1 3.42Å; M225-Y265 HydrophobicContact CB-CD1 4.13Å; M225-Y265 HydrophobicContact CB-CD2 3.85Å; M225-Y265 HydrophobicContact CB-CE2 4.5Å; M225-Y265 HydrophobicContact CB-CG 3.69Å; M225-Y265 HydrophobicContact CE-CD2 3.72Å; M225-Y265 HydrophobicContact CE-CE2 4.2Å; M225-Y265 HydrophobicContact CG-CD2 3.97Å; M225-Y265 HydrophobicContact CG-CE2 4.2Å; M225-Y265 HydrophobicContact CG-CG 4.28Å; T263-Y265 WeakPolarHBondContact O-CD2 3.36Å; T263-Y265 PolarHBondContact O-N 2.9Å; T263-Y265 PolarHBondContact OG1-O 2.92Å; Y265-C267 PolarHBondContact O-N 3.22Å; Y265-L293 HydrophobicContact CD1-CD1 4.49Å; Y265-L293 HydrophobicContact CD1-CD2 3.64Å; Y265-L293 HydrophobicContact CD1-CG 4.47Å; Y265-L293 HydrophobicContact CE1-CD2 3.34Å; Y265-L293 HydrophobicContact CE1-CG 4.39Å
266S95.4Very high92.8Very high4 Ų447.2 Ų47.23%0.02824%0.241CC..BIsolated β-bridgetrans-70.1134.6172.668.40000110.9P221 D223 A224 S284P221-S266 WeakPolarHBondContact CD-OG 3.36Å; D223-S266 VanDerWaalsContact CG-OG 3.3Å; D223-S266 PolarHBondContact O-N 3.22Å; D223-S266 VanDerWaalsContact OD1-CB 3.26Å; D223-S266 WeakPolarHBondContact OD1-CB 3.38Å; D223-S266 PolarHBondContact OD1-OG 3.13Å; A224-S266 WeakPolarHBondContact CA-O 3.35Å; A224-S266 WeakPolarHBondContact CA-OG 3.42Å; A224-S266 PolarHBondContact N-OG 3.42Å; S266-S284 VanDerWaalsContact CA-O 3.3Å; S266-S284 WeakPolarHBondContact CA-O 3.5Å
267C95.7Very high92.1Very high0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-148.8128.7174.9176.60000110.5C217 Y265 W283 S284C217-C267 HydrophobicContact CB-CB 3.8Å; C217-C267 WeakPolarHBondContact CB-SG 3.15Å; C217-C267 WeakPolarHBondContact SG-CB 3.35Å; C217-C267 CovalentContact SG-SG 2.02Å; C217-C267 PolarHBondContact SG-SG 3.46Å; Y265-C267 PolarHBondContact O-N 3.22Å; C267-W283 CarbonylContact O-C 3.59Å; C267-W283 WeakPolarHBondContact O-CA 3.43Å; C267-S284 PolarHBondContact N-O 3.18Å; C267-S284 PolarHBondContact O-N 3.12Å
268K95.6Very high91.7Very high92 Ų9248.5 Ų48.540%0.427%0.266SS..EExtended strand (participates in β ladder)trans-104126.1168.5-173.2-173.4-174.2178.80109.8V281 E282 W283K268-V281 HydrophobicContact CD-CG1 4.45Å; K268-V281 HydrophobicContact CG-CG1 3.98Å; K268-E282 CarbonylContact C-O 3.58Å; K268-E282 WeakPolarHBondContact CA-O 3.34Å; K268-W283 HydrophobicContact CB-CD2 4.01Å; K268-W283 HydrophobicContact CB-CE3 4.2Å; K268-W283 HydrophobicContact CB-CH2 4.2Å; K268-W283 HydrophobicContact CB-CZ2 4.02Å; K268-W283 HydrophobicContact CB-CZ3 4.29Å; K268-W283 HydrophobicContact CD-CH2 4.41Å; K268-W283 HydrophobicContact CD-CZ2 3.61Å; K268-W283 HydrophobicContact CG-CD2 4.16Å; K268-W283 HydrophobicContact CG-CZ2 4Å
269M93.8Very high91.5Very high39 Ų3951.3 Ų51.319%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-132.8160.1174.1-76.8-169.16600112.2R211 V281 E282R211-M269 HydrophobicContact CB-CE 3.83Å; R211-M269 HydrophobicContact CB-SD 3.89Å; R211-M269 WeakPolarHBondContact CD-SD 3.37Å; R211-M269 HydrophobicContact CG-SD 4.2Å; M269-V281 CarbonylContact O-C 3.47Å; M269-V281 WeakPolarHBondContact O-CA 3.45Å; M269-E282 PolarHBondContact N-O 3.38Å; M269-E282 PolarHBondContact O-N 3.31Å
270S94.7Very high91.3Very high78 Ų7851.1 Ų51.155%0.54528%0.283SS..EExtended strand (participates in β ladder)trans-117.6133.2174.1-65.50000109.5A280S270-A280 CarbonylContact C-O 3.59Å; S270-A280 WeakPolarHBondContact CA-O 3.48Å
271H95.1Very high91.2Very high17 Ų1753 Ų538%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-115128.4-179.9-66.9-85.9000109.5L250 T279 A280 E282L250-H271 HydrophobicContact CD1-CB 3.96Å; L250-H271 HydrophobicContact CD2-CB 4.3Å; H271-T279 CarbonylContact O-C 3.55Å; H271-T279 WeakPolarHBondContact O-CA 3Å; H271-T279 WeakPolarHBondContact O-CB 3.44Å; H271-A280 PolarHBondContact N-O 3.39Å; H271-A280 PolarHBondContact O-N 3.07Å; H271-E282 IonicContact CD2-OE2 2.77Å; H271-E282 IonicContact CE1-OE2 2.9Å; H271-E282 IonicContact NE2-OE2 3.97Å; H271-E282 PolarHBondContact NE2-OE2 3.21Å
272Q92.3Very high91.2Very high139 Ų13953 Ų5365%0.6529%0.294SS*.EExtended strand (participates in β ladder)trans-83.7143.3177.8-72.5-179.2-12.800111.3G274 T279Q272-G274 PolarHBondContact O-N 2.94Å; Q272-T279 HydrophobicContact CG-CG2 4.02Å
273F89.9Confident91.2Very high8 Ų854.9 Ų54.94%0.03530%0.3CS..  trans-8589.7171-61.6-66.9000110.6R200 L250 R254 P255 N275 Q276 D278 T279 A280R200-F273 VanDerWaalsContact NH2-CZ 3.35Å; L250-F273 HydrophobicContact CB-CD1 4.16Å; L250-F273 HydrophobicContact CB-CE1 4.24Å; L250-F273 HydrophobicContact CD2-CD1 4.48Å; L250-F273 HydrophobicContact CD2-CE1 3.92Å; R254-F273 HydrophobicContact CB-CE1 4.38Å; P255-F273 WeakPolarHBondContact O-CZ 3.39Å; F273-N275 PolarHBondContact O-N 2.85Å; F273-Q276 HydrophobicContact CB-CB 4.49Å; F273-Q276 VanDerWaalsContact O-CB 3.28Å; F273-Q276 WeakPolarHBondContact O-CB 3.31Å; F273-Q276 WeakPolarHBondContact O-CG 3.39Å; F273-Q276 PolarHBondContact O-N 3.02Å; F273-D278 VanDerWaalsContact CD2-C 3.47Å; F273-D278 HydrophobicContact CD2-CB 3.78Å; F273-D278 VanDerWaalsContact CD2-O 3.27Å; F273-D278 WeakPolarHBondContact CD2-O 3.37Å; F273-D278 WeakPolarHBondContact CD2-OD2 3.3Å; F273-D278 HydrophobicContact CE2-CB 4.36Å; F273-D278 WeakPolarHBondContact CE2-OD2 2.71Å; F273-D278 PolarHBondContact N-O 3.31Å; F273-T279 VanDerWaalsContact CE2-C 3.49Å; F273-A280 HydrophobicContact CE1-CB 4.24Å; F273-A280 HydrophobicContact CE2-CB 4.27Å; F273-A280 HydrophobicContact CZ-CB 3.65Å
274G79.7Confident91.3Very high42 Ų4253.9 Ų53.943%0.43329%0.294SS..THydrogen-bonded Turntrans52.3-129.1179.500000111.8Q272 Q276Q272-G274 PolarHBondContact O-N 2.94Å; G274-Q276 VanDerWaalsContact C-N 3.28Å; G274-Q276 PolarHBondContact O-N 3.3Å
275N69.5Low91.3Very high180 Ų18052 Ų5296%0.96329%0.286SS*.THydrogen-bonded Turntrans-88.822.7179.5-66.3-8.6000113.9F273F273-N275 PolarHBondContact O-N 2.85Å
276Q74.7Confident91.4Very high99 Ų9949.6 Ų49.646%0.46328%0.277SS..SBendtrans-101153.9-177.8-57-176.7-6.200111.8F273 G274 D278F273-Q276 HydrophobicContact CB-CB 4.49Å; F273-Q276 VanDerWaalsContact O-CB 3.28Å; F273-Q276 WeakPolarHBondContact O-CB 3.31Å; F273-Q276 WeakPolarHBondContact O-CG 3.39Å; F273-Q276 PolarHBondContact O-N 3.02Å; G274-Q276 VanDerWaalsContact C-N 3.28Å; G274-Q276 PolarHBondContact O-N 3.3Å; Q276-D278 PolarHBondContact O-N 3Å
277S82.3Confident91.5Very high124 Ų12449.4 Ų49.487%0.86728%0.276SS*.SBendtrans-72.3-11.8174.557.50000113.7
278D89.6Confident91.5Very high49 Ų4949.9 Ų49.926%0.26228%0.278SS..  trans-77.4144.9-179.6-17324.1000110.5R200 R254 F273 Q276R200-D278 IonicContact CZ-OD2 2.76Å; R200-D278 VanDerWaalsContact CZ-OD2 3.23Å; R200-D278 IonicContact NH1-OD1 3.33Å; R200-D278 PolarHBondContact NH1-OD1 3.26Å; R200-D278 IonicContact NH1-OD2 3.26Å; R200-D278 PolarHBondContact NH1-OD2 2.89Å; R200-D278 IonicContact NH2-OD2 3.07Å; R200-D278 PolarHBondContact NH2-OD2 2.78Å; R254-D278 IonicContact CZ-OD2 3.51Å; R254-D278 IonicContact NH2-OD2 3.06Å; R254-D278 PolarHBondContact NH2-OD2 2.77Å; F273-D278 VanDerWaalsContact CD2-C 3.47Å; F273-D278 HydrophobicContact CD2-CB 3.78Å; F273-D278 VanDerWaalsContact CD2-O 3.27Å; F273-D278 WeakPolarHBondContact CD2-O 3.37Å; F273-D278 WeakPolarHBondContact CD2-OD2 3.3Å; F273-D278 HydrophobicContact CE2-CB 4.36Å; F273-D278 WeakPolarHBondContact CE2-OD2 2.71Å; F273-D278 PolarHBondContact N-O 3.31Å; Q276-D278 PolarHBondContact O-N 3Å
279T93.8Very high91.5Very high60 Ų6045.5 Ų45.537%0.36826%0.259SS..EExtended strand (participates in β ladder)trans-137146-175.963.10000111.6H271 Q272 F273H271-T279 CarbonylContact O-C 3.55Å; H271-T279 WeakPolarHBondContact O-CA 3Å; H271-T279 WeakPolarHBondContact O-CB 3.44Å; Q272-T279 HydrophobicContact CG-CG2 4.02Å; F273-T279 VanDerWaalsContact CE2-C 3.49Å
280A95.4Very high91.4Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-96.8143.3164.900000110.2L250 P255 I258 S270 H271 F273L250-A280 HydrophobicContact CD2-CB 4.2Å; P255-A280 HydrophobicContact CG-CB 4.26Å; I258-A280 HydrophobicContact CD1-CB 3.44Å; I258-A280 VanDerWaalsContact CD1-CB 3.44Å; S270-A280 CarbonylContact C-O 3.59Å; S270-A280 WeakPolarHBondContact CA-O 3.48Å; H271-A280 PolarHBondContact N-O 3.39Å; H271-A280 PolarHBondContact O-N 3.07Å; F273-A280 HydrophobicContact CE1-CB 4.24Å; F273-A280 HydrophobicContact CE2-CB 4.27Å; F273-A280 HydrophobicContact CZ-CB 3.65Å
281V96.2Very high91.1Very high38 Ų3850.4 Ų50.423%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-93.4132.2169.81780000108.8L257 I258 K268 M269L257-V281 CarbonylContact C-O 3.58Å; L257-V281 WeakPolarHBondContact CA-O 3.46Å; I258-V281 PolarHBondContact N-O 2.85Å; K268-V281 HydrophobicContact CD-CG1 4.45Å; K268-V281 HydrophobicContact CG-CG1 3.98Å; M269-V281 CarbonylContact O-C 3.47Å; M269-V281 WeakPolarHBondContact O-CA 3.45Å
282E97.4Very high90.8Very high0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-106.2135.6167179179.6-145.700109.8P208 L209 R211 I258 K268 M269 H271P208-E282 WeakPolarHBondContact CA-OE1 3.32Å; P208-E282 WeakPolarHBondContact CB-OE1 3.44Å; L209-E282 PolarHBondContact N-OE1 2.85Å; R211-E282 IonicContact NH1-OE2 2.89Å; I258-E282 HydrophobicContact CB-CB 4.07Å; I258-E282 HydrophobicContact CB-CG 4.09Å; I258-E282 HydrophobicContact CG2-CG 4.12Å; I258-E282 CarbonylContact O-C 3.53Å; I258-E282 WeakPolarHBondContact O-CA 3.4Å; K268-E282 CarbonylContact C-O 3.58Å; K268-E282 WeakPolarHBondContact CA-O 3.34Å; M269-E282 PolarHBondContact N-O 3.38Å; M269-E282 PolarHBondContact O-N 3.31Å; H271-E282 IonicContact CD2-OE2 2.77Å; H271-E282 IonicContact CE1-OE2 2.9Å; H271-E282 IonicContact NE2-OE2 3.97Å; H271-E282 PolarHBondContact NE2-OE2 3.21Å
283W97.1Very high90.7Very high65 Ų6545.1 Ų45.125%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-119.2111.9165.8-83.892000109.8I258 L259 S260 C267 K268 L299I258-W283 PolarHBondContact O-N 2.87Å; L259-W283 WeakPolarHBondContact CA-O 3.28Å; L259-W283 HydrophobicContact CD2-CB 3.83Å; S260-W283 PolarHBondContact N-O 3.11Å; C267-W283 CarbonylContact O-C 3.59Å; C267-W283 WeakPolarHBondContact O-CA 3.43Å; K268-W283 HydrophobicContact CB-CD2 4.01Å; K268-W283 HydrophobicContact CB-CE3 4.2Å; K268-W283 HydrophobicContact CB-CH2 4.2Å; K268-W283 HydrophobicContact CB-CZ2 4.02Å; K268-W283 HydrophobicContact CB-CZ3 4.29Å; K268-W283 HydrophobicContact CD-CH2 4.41Å; K268-W283 HydrophobicContact CD-CZ2 3.61Å; K268-W283 HydrophobicContact CG-CD2 4.16Å; K268-W283 HydrophobicContact CG-CZ2 4Å; W283-L299 HydrophobicContact CB-CD2 4.35Å
284S97Very high90.6Very high0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-77.7124.6162-50.90000108.5R211 S260 S266 C267R211-S284 PolarHBondContact NH1-OG 2.63Å; S260-S284 CarbonylContact O-C 3.4Å; S260-S284 WeakPolarHBondContact O-CA 3.34Å; S260-S284 WeakPolarHBondContact OG-CA 3.47Å; S260-S284 WeakPolarHBondContact OG-CB 3.13Å; S260-S284 PolarHBondContact OG-OG 2.95Å; S266-S284 VanDerWaalsContact CA-O 3.3Å; S266-S284 WeakPolarHBondContact CA-O 3.5Å; C267-S284 PolarHBondContact N-O 3.18Å; C267-S284 PolarHBondContact O-N 3.12Å
285V96.9Very high91.1Very high6 Ų648.5 Ų48.54%0.03626%0.258CS..PPolyproline II helixtrans-86.1134.5-179.3-177.10000108.4V2 A4 L45 S260 L299V2-V285 HydrophobicContact CB-CG2 4.48Å; V2-V285 HydrophobicContact CG1-CG2 3.97Å; A4-V285 HydrophobicContact CB-CB 4.08Å; A4-V285 HydrophobicContact CB-CG1 4.26Å; L45-V285 HydrophobicContact CD1-CB 4.27Å; L45-V285 HydrophobicContact CD1-CG2 3.78Å; S260-V285 PolarHBondContact O-N 3.37Å; V285-L299 HydrophobicContact CG1-CB 4.38Å; V285-L299 HydrophobicContact CG2-CB 4.15Å; V285-L299 HydrophobicContact CG2-CD2 4.33Å
286A96.4Very high92.1Very high2 Ų241.9 Ų41.92%0.01723%0.225CC..PPolyproline II helixtrans-68.1157.6175.800000111.5D223 H264 F288 L293D223-A286 HydrophobicContact CB-CB 3.71Å; D223-A286 VanDerWaalsContact OD2-CB 3.25Å; D223-A286 WeakPolarHBondContact OD2-CB 3.27Å; H264-A286 CarbonylContact O-C 3.58Å; H264-A286 VanDerWaalsContact O-CA 3.29Å; H264-A286 WeakPolarHBondContact O-CA 3.28Å; A286-F288 PolarHBondContact O-N 3.44Å; A286-L293 HydrophobicContact CB-CD1 3.82Å
287S97.4Very high93Very high0 Ų037.9 Ų37.90%021%0.21CC..PPolyproline II helixtrans-61137.9179.4175.20000111.6A4 D5 H264 S289 N292 P296 G297A4-S287 WeakPolarHBondContact O-CA 3.43Å; D5-S287 PolarHBondContact O-OG 3.09Å; H264-S287 PolarHBondContact O-N 3.16Å; S287-S289 PolarHBondContact O-N 2.91Å; S287-S289 PolarHBondContact OG-N 3.18Å; S287-S289 PolarHBondContact OG-O 2.89Å; S287-N292 PolarHBondContact OG-ND2 3.45Å; S287-P296 WeakPolarHBondContact O-CA 3.49Å; S287-P296 WeakPolarHBondContact O-CB 3.17Å; S287-G297 PolarHBondContact O-N 3.44Å; S287-G297 VanDerWaalsContact O-N 3.11Å
288F97.2Very high93.6Very high10 Ų1034.9 Ų34.94%0.04418%0.182CC..SBendtrans-82.77.8171.5-168.5-105.2000112.6L3 A4 T6 M26 A29 F30 F71 A286 G297 F298L3-F288 HydrophobicContact CB-CB 4.36Å; L3-F288 HydrophobicContact CD1-CD1 4.36Å; L3-F288 HydrophobicContact CD1-CE1 4.48Å; L3-F288 HydrophobicContact CD1-CG 4.39Å; L3-F288 HydrophobicContact CD2-CD2 3.74Å; L3-F288 HydrophobicContact CD2-CE2 3.97Å; L3-F288 HydrophobicContact CD2-CG 4.23Å; A4-F288 PolarHBondContact O-N 2.96Å; T6-F288 HydrophobicContact CG2-CB 4.18Å; T6-F288 HydrophobicContact CG2-CD1 4.29Å; M26-F288 HydrophobicContact CB-CE1 4.27Å; M26-F288 HydrophobicContact CG-CD1 4.27Å; M26-F288 HydrophobicContact CG-CE1 4.45Å; A29-F288 HydrophobicContact CB-CE1 4.2Å; A29-F288 HydrophobicContact CB-CE2 4.21Å; A29-F288 HydrophobicContact CB-CZ 3.56Å; F30-F288 HydrophobicContact CB-CE1 4.21Å; F30-F288 HydrophobicContact CB-CZ 4.16Å; F71-F288 HydrophobicContact CE1-CD1 4.39Å; F71-F288 HydrophobicContact CE1-CE1 4.27Å; A286-F288 PolarHBondContact O-N 3.44Å; F288-G297 WeakPolarHBondContact CD2-O 3.46Å; F288-F298 HydrophobicContact CD2-CB 4.31Å; F288-F298 HydrophobicContact CD2-CD1 4.24Å; F288-F298 AromaticContact CE2-CD1 3.82Å; F288-F298 HydrophobicContact CE2-CD1 3.82Å
289S95.1Very high93.9Very high0 Ų034.5 Ų34.50%018%0.18CC..SBendtrans-119.4131.9-172.8-166.20000112.8D5 T6 S287 R291 N292 L293D5-S289 WeakPolarHBondContact O-CB 3.28Å; T6-S289 VanDerWaalsContact O-CB 3.23Å; T6-S289 WeakPolarHBondContact O-CB 3.14Å; T6-S289 PolarHBondContact O-OG 3.38Å; T6-S289 VanDerWaalsContact O-OG 3.08Å; S287-S289 PolarHBondContact O-N 2.91Å; S287-S289 PolarHBondContact OG-N 3.18Å; S287-S289 PolarHBondContact OG-O 2.89Å; S289-R291 PolarHBondContact O-N 3.43Å; S289-R291 WeakPolarHBondContact OG-CB 3.21Å; S289-R291 PolarHBondContact OG-N 3.44Å; S289-N292 PolarHBondContact O-N 3.38Å; S289-N292 VanDerWaalsContact O-N 3.11Å; S289-L293 PolarHBondContact O-N 2.92Å
290W91.3Very high94Very high130 Ų13033.6 Ų33.649%0.49217%0.172SC..THydrogen-bonded Turntrans-60.7-13171.7-90.291.3000113.7N292 L293 A294 P296W290-N292 VanDerWaalsContact C-N 3.32Å; W290-L293 VanDerWaalsContact CA-O 3.31Å; W290-L293 WeakPolarHBondContact CA-O 3.45Å; W290-A294 WeakPolarHBondContact CH2-O 3.4Å; W290-A294 WeakPolarHBondContact CZ2-O 3.48Å; W290-A294 HydrophobicContact CZ3-CB 4Å; W290-A294 WeakPolarHBondContact CZ3-O 3.41Å; W290-P296 HydrophobicContact CD2-CG 4.4Å; W290-P296 HydrophobicContact CG-CG 3.98Å
291R88.5Confident93.9Very high90 Ų9037 Ų3734%0.3419%0.193SC..THydrogen-bonded Turntrans-58.7-45.3171.4177.2-177.7-179.5118.9-5.7112.1R22 D50 S289R22-R291 VanDerWaalsContact NH1-CD 3.31Å; D50-R291 VanDerWaalsContact CG-CZ 3.47Å; D50-R291 VanDerWaalsContact CG-NH2 3.33Å; D50-R291 IonicContact OD1-CZ 3.68Å; D50-R291 IonicContact OD1-NE 3.47Å; D50-R291 IonicContact OD1-NH1 3.31Å; D50-R291 IonicContact OD1-NH2 3.62Å; D50-R291 PolarHBondContact OD1-NH2 3.3Å; D50-R291 IonicContact OD2-CZ 2.96Å; D50-R291 IonicContact OD2-NH1 3.78Å; D50-R291 PolarHBondContact OD2-NH1 3.05Å; D50-R291 IonicContact OD2-NH2 2.86Å; D50-R291 PolarHBondContact OD2-NH2 3.23Å; S289-R291 PolarHBondContact O-N 3.43Å; S289-R291 WeakPolarHBondContact OG-CB 3.21Å; S289-R291 PolarHBondContact OG-N 3.44Å
292N88.5Confident93.4Very high32 Ų3246.8 Ų46.817%0.17123%0.227CC..THydrogen-bonded Turntrans-101.4-29.9-166-68.6-23.9000111.8H7 H264 S287 S289 W290H7-N292 PolarHBondContact CD2-ND2 2.91Å; H7-N292 PolarHBondContact NE2-ND2 3.13Å; H264-N292 HydrophobicContact CB-CB 4Å; H264-N292 VanDerWaalsContact CE1-CG 3.45Å; H264-N292 PolarHBondContact CE1-ND2 2.96Å; H264-N292 PolarHBondContact CE1-OD1 3.5Å; H264-N292 PolarHBondContact NE2-ND2 3.46Å; S287-N292 PolarHBondContact OG-ND2 3.45Å; S289-N292 PolarHBondContact O-N 3.38Å; S289-N292 VanDerWaalsContact O-N 3.11Å; W290-N292 VanDerWaalsContact C-N 3.32Å
293L90.4Very high93.2Very high13 Ų1349.1 Ų49.17%0.06824%0.238CC..  trans-139.1141.8-177.8-83.8176.9000111.3D223 H264 Y265 A286 S289 W290 N295D223-L293 HydrophobicContact CB-CD1 4.23Å; H264-L293 WeakPolarHBondContact O-CD1 3.42Å; Y265-L293 HydrophobicContact CD1-CD1 4.49Å; Y265-L293 HydrophobicContact CD1-CD2 3.64Å; Y265-L293 HydrophobicContact CD1-CG 4.47Å; Y265-L293 HydrophobicContact CE1-CD2 3.34Å; Y265-L293 HydrophobicContact CE1-CG 4.39Å; A286-L293 HydrophobicContact CB-CD1 3.82Å; S289-L293 PolarHBondContact O-N 2.92Å; W290-L293 VanDerWaalsContact CA-O 3.31Å; W290-L293 WeakPolarHBondContact CA-O 3.45Å; L293-N295 PolarHBondContact O-N 2.98Å
294A88.1Confident93Very high73 Ų7348.3 Ų48.360%0.60324%0.238SC*.SBendtrans-74.1-0.4173.100000113.3W290W290-A294 WeakPolarHBondContact CH2-O 3.4Å; W290-A294 WeakPolarHBondContact CZ2-O 3.48Å; W290-A294 HydrophobicContact CZ3-CB 4Å; W290-A294 WeakPolarHBondContact CZ3-O 3.41Å
295N89.5Confident92.8Very high48 Ų4850.9 Ų50.926%0.25725%0.251SS..SBendtrans-145.362.5-17757.7-41.6000109.3I222 D223 L293I222-N295 PolarHBondContact O-ND2 3.46Å; I222-N295 VanDerWaalsContact O-ND2 3.13Å; D223-N295 VanDerWaalsContact CA-ND2 3.32Å; D223-N295 WeakPolarHBondContact CA-ND2 3.48Å; D223-N295 PolarHBondContact N-ND2 3.4Å; L293-N295 PolarHBondContact O-N 2.98Å
296P91.6Very high92.6Very high40 Ų4053.6 Ų53.626%0.2626%0.264SS..  trans-58.8147.1-179.526.7-34.3000110.8S287 W290S287-P296 WeakPolarHBondContact O-CA 3.49Å; S287-P296 WeakPolarHBondContact O-CB 3.17Å; W290-P296 HydrophobicContact CD2-CG 4.4Å; W290-P296 HydrophobicContact CG-CG 3.98Å
297G93.1Very high92.3Very high15 Ų1556.8 Ų56.816%0.15528%0.279CS..  trans-146.8179.5-171.400000112.5S287 F288S287-G297 PolarHBondContact O-N 3.44Å; S287-G297 VanDerWaalsContact O-N 3.11Å; F288-G297 WeakPolarHBondContact CD2-O 3.46Å
298F95.9Very high92Very high62 Ų6260.6 Ų60.627%0.27230%0.298SS..  trans-148.3159.9174.156.5-91.1000109.7M1 V2 L3 S33 H37 F288 M300M1-F298 HydrophobicContact CG-CB 4.43Å; M1-F298 HydrophobicContact CG-CD2 3.72Å; M1-F298 HydrophobicContact CG-CE2 4.26Å; M1-F298 HydrophobicContact CG-CG 4.25Å; M1-F298 HydrophobicContact SD-CD2 3.91Å; M1-F298 HydrophobicContact SD-CE2 4.01Å; M1-F298 HydrophobicContact SD-CG 4.29Å; M1-F298 HydrophobicContact SD-CZ 4.47Å; V2-F298 WeakPolarHBondContact O-CA 3.45Å; V2-F298 WeakPolarHBondContact O-CB 3.27Å; L3-F298 HydrophobicContact CD2-CB 3.3Å; L3-F298 HydrophobicContact CD2-CG 4.08Å; S33-F298 WeakPolarHBondContact OG-CE1 3.36Å; S33-F298 WeakPolarHBondContact OG-CZ 3.44Å; H37-F298 AromaticContact CD2-CE2 3.8Å; H37-F298 AromaticContact CD2-CZ 3.66Å; H37-F298 AromaticContact NE2-CE2 3.88Å; H37-F298 AromaticContact NE2-CZ 3.56Å; F288-F298 HydrophobicContact CD2-CB 4.31Å; F288-F298 HydrophobicContact CD2-CD1 4.24Å; F288-F298 AromaticContact CE2-CD1 3.82Å; F288-F298 HydrophobicContact CE2-CD1 3.82Å; F298-M300 HydrophobicContact CD2-CG 3.96Å; F298-M300 HydrophobicContact CD2-SD 3.97Å; F298-M300 HydrophobicContact CE2-CG 3.61Å; F298-M300 HydrophobicContact CE2-SD 3.69Å
299L95.5Very high91.6Very high41 Ų4164.2 Ų64.222%0.21532%0.316CS..BIsolated β-bridgetrans-96.8127.9174.6-174.369.3000110.1M1 V2 L259 W283 V285 V301M1-L299 CarbonylContact C-O 3.53Å; M1-L299 WeakPolarHBondContact CA-O 3.36Å; V2-L299 HydrophobicContact CB-CB 4.25Å; V2-L299 PolarHBondContact N-O 3.2Å; V2-L299 PolarHBondContact O-N 2.7Å; L259-L299 HydrophobicContact CD2-CD2 3.77Å; W283-L299 HydrophobicContact CB-CD2 4.35Å; V285-L299 HydrophobicContact CG1-CB 4.38Å; V285-L299 HydrophobicContact CG2-CB 4.15Å; V285-L299 HydrophobicContact CG2-CD2 4.33Å; L299-V301 HydrophobicContact CD2-CG2 3.87Å; L299-V301 HydrophobicContact CG-CG2 3.99Å
300M95.6Very high91.4Very high40 Ų4069.2 Ų69.220%0.19734%0.34CS..  trans-93.5126.5164.3-70.6-58.7-65.600109.3M1 H37 F298 Y302M1-M300 HydrophobicContact CB-SD 3.73Å; M1-M300 HydrophobicContact CG-SD 3.89Å; M1-M300 HydrophobicContact SD-SD 4.48Å; H37-M300 HydrophobicContact CB-CE 3.67Å; H37-M300 HydrophobicContact CB-SD 4.18Å; F298-M300 HydrophobicContact CD2-CG 3.96Å; F298-M300 HydrophobicContact CD2-SD 3.97Å; F298-M300 HydrophobicContact CE2-CG 3.61Å; F298-M300 HydrophobicContact CE2-SD 3.69Å; M300-Y302 HydrophobicContact CB-CD2 4.31Å; M300-Y302 HydrophobicContact CB-CE2 3.54Å; M300-Y302 HydrophobicContact CE-CE1 4.07Å; M300-Y302 HydrophobicContact CG-CE2 4.49Å
301V92.9Very high91.4Very high73 Ų7364.1 Ų64.144%0.44233%0.327SS..  trans-116120.7177.7-173.70000106.1V2 L299V2-V301 HydrophobicContact CG2-CG2 3.96Å; L299-V301 HydrophobicContact CD2-CG2 3.87Å; L299-V301 HydrophobicContact CG-CG2 3.99Å
302Y87Confident91.6Very high242 Ų24261.7 Ų61.795%0.94933%0.326SS*.  trans-114.70-178.7-62.3-79.7000109.8M300M300-Y302 HydrophobicContact CB-CD2 4.31Å; M300-Y302 HydrophobicContact CB-CE2 3.54Å; M300-Y302 HydrophobicContact CE-CE1 4.07Å; M300-Y302 HydrophobicContact CG-CE2 4.49Å

Retrieved 302 of 302 residues in 107.8 ms (Link to these results)

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