A0A077Z6X3_TRITR Loading...

Phospholipase A 2 activating protein

AlphaFold DB , UniProt , Accession A0A077Z6X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 809 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
1M88.4Confident89.6Confident99 Ų9945.2 Ų45.249%0.48823%0.233SC..  0141.20-161.3171.5-155.800109.2Q269M1-Q269 HydrophobicContact CE-CG 3.82Å; M1-Q269 HydrophobicContact CG-CG 4.36Å
2F92.8Very high89.2Confident17 Ų1756.3 Ų56.38%0.07528%0.284CS..  trans-83.3137175.9-77.5-91.6000110.6Y247 V259 Q269 F271 G287 I289 F301 S302F2-Y247 HydrophobicContact CE2-CE2 4.18Å; F2-Y247 AromaticContact CZ-CE2 3.87Å; F2-Y247 HydrophobicContact CZ-CE2 3.87Å; F2-Y247 AromaticContact CZ-CZ 3.83Å; F2-V259 HydrophobicContact CD2-CG2 4.4Å; F2-V259 HydrophobicContact CE2-CG1 4.43Å; F2-V259 HydrophobicContact CE2-CG2 4.47Å; F2-Q269 PolarHBondContact O-NE2 3.16Å; F2-F271 HydrophobicContact CB-CE1 3.33Å; F2-F271 HydrophobicContact CB-CE2 4.48Å; F2-F271 HydrophobicContact CB-CZ 3.26Å; F2-F271 AromaticContact CD2-CZ 3.98Å; F2-F271 HydrophobicContact CD2-CZ 3.98Å; F2-F271 HydrophobicContact CG-CE1 4.31Å; F2-F271 AromaticContact CG-CZ 3.75Å; F2-F271 HydrophobicContact CG-CZ 3.75Å; F2-G287 VanDerWaalsContact CE1-O 3.32Å; F2-G287 WeakPolarHBondContact CE1-O 3.44Å; F2-I289 HydrophobicContact CD1-CD1 4.15Å; F2-I289 HydrophobicContact CD1-CG1 4.35Å; F2-I289 HydrophobicContact CD2-CD1 4.41Å; F2-I289 HydrophobicContact CE1-CD1 3.79Å; F2-I289 HydrophobicContact CE1-CG1 3.82Å; F2-I289 HydrophobicContact CE2-CD1 4.07Å; F2-I289 HydrophobicContact CG-CD1 4.45Å; F2-I289 HydrophobicContact CZ-CD1 3.75Å; F2-I289 HydrophobicContact CZ-CG1 4.11Å; F2-F301 HydrophobicContact CB-CB 4.33Å; F2-F301 HydrophobicContact CD1-CB 4.38Å; F2-S302 WeakPolarHBondContact CA-O 3.13Å
3E92.3Very high89.3Confident68 Ų6854.8 Ų54.832%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-133.4161.9177.6-74.3166.9-129.600110.3R5 F301 S302 K308E3-R5 PolarHBondContact O-N 3.07Å; E3-F301 CarbonylContact O-C 3.47Å; E3-F301 WeakPolarHBondContact O-CA 3.08Å; E3-S302 PolarHBondContact N-O 2.91Å; E3-S302 PolarHBondContact O-N 3.4Å; E3-K308 HydrophobicContact CB-CD 3.97Å; E3-K308 HydrophobicContact CB-CG 4.16Å; E3-K308 HydrophobicContact CG-CD 4.4Å; E3-K308 IonicContact OE1-NZ 3.54Å; E3-K308 PolarHBondContact OE1-NZ 3.39Å; E3-K308 IonicContact OE2-NZ 2.79Å
4I93.1Very high89.4Confident10 Ų1053.4 Ų53.45%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-59.8126.4-178.4-169.772.8000110.2R299 F301 A309 I314 Y317I4-R299 HydrophobicContact CD1-CB 4.14Å; I4-F301 HydrophobicContact CB-CD1 4.34Å; I4-F301 HydrophobicContact CB-CE1 4.15Å; I4-F301 HydrophobicContact CD1-CD1 4.35Å; I4-F301 HydrophobicContact CD1-CE1 3.9Å; I4-F301 HydrophobicContact CD1-CE2 4.26Å; I4-F301 HydrophobicContact CD1-CZ 3.84Å; I4-A309 HydrophobicContact CG2-CB 4.46Å; I4-A309 VanDerWaalsContact O-CB 3.24Å; I4-A309 WeakPolarHBondContact O-CB 3.43Å; I4-A309 PolarHBondContact O-N 2.92Å; I4-I314 HydrophobicContact CG2-CB 4.44Å; I4-I314 HydrophobicContact CG2-CG1 3.96Å; I4-Y317 HydrophobicContact CB-CD1 4.2Å; I4-Y317 HydrophobicContact CB-CG 4.43Å; I4-Y317 HydrophobicContact CD1-CE2 4.39Å; I4-Y317 HydrophobicContact CG1-CD2 4.43Å; I4-Y317 HydrophobicContact CG1-CG 4.34Å; I4-Y317 HydrophobicContact CG2-CD1 4.06Å; I4-Y317 HydrophobicContact CG2-CG 4.18Å
5R93.2Very high89.7Confident15 Ų1549.9 Ų49.96%0.05726%0.257CS..EExtended strand (participates in β ladder)trans-94.4-50.5172.6161.4167.9-167.1-157.3-6.2110.4E3 E43 M50 N286 D288 I300 R307E3-R5 PolarHBondContact O-N 3.07Å; R5-E43 IonicContact CZ-OE1 2.76Å; R5-E43 VanDerWaalsContact CZ-OE1 3.29Å; R5-E43 IonicContact NH1-OE1 3.67Å; R5-E43 PolarHBondContact NH1-OE1 2.68Å; R5-E43 VanDerWaalsContact NH1-OE1 3.08Å; R5-E43 IonicContact NH2-OE1 2.84Å; R5-E43 PolarHBondContact NH2-OE1 3.4Å; R5-M50 PolarHBondContact NH2-O 3.01Å; R5-N286 PolarHBondContact NH1-ND2 3.37Å; R5-D288 WeakPolarHBondContact CD-OD2 3.38Å; R5-D288 IonicContact CZ-OD2 2.85Å; R5-D288 IonicContact NE-OD2 3.29Å; R5-D288 IonicContact NH1-OD2 3.93Å; R5-D288 PolarHBondContact NH1-OD2 2.73Å; R5-I300 WeakPolarHBondContact CA-O 3.49Å; R5-I300 HydrophobicContact CB-CG2 4.27Å; R5-I300 WeakPolarHBondContact CB-O 3.2Å; R5-I300 HydrophobicContact CG-CG2 4.31Å; R5-I300 PolarHBondContact N-O 2.83Å; R5-R307 WeakPolarHBondContact CB-O 3.46Å; R5-R307 WeakPolarHBondContact CG-O 3.19Å
6Q91Very high89.9Confident45 Ų4547.3 Ų47.321%0.2124%0.242CC..EExtended strand (participates in β ladder)trans-160.7149.7-175.5-166.5173.81.200111.1L8 F52 I300Q6-L8 VanDerWaalsContact CD-CD2 3.49Å; Q6-L8 HydrophobicContact CG-CD2 3.84Å; Q6-F52 PolarHBondContact NE2-O 3.11Å; Q6-I300 PolarHBondContact N-O 2.95Å; Q6-I300 PolarHBondContact O-N 3.43Å
7H89Confident90.3Very high108 Ų10845.2 Ų45.250%0.523%0.233SC..EExtended strand (participates in β ladder)trans-109.6135161.554.1-95.9000109.1I298 R299H7-I298 CarbonylContact C-O 3.45Å; H7-I298 WeakPolarHBondContact CA-O 2.92Å; H7-R299 HydrophobicContact CB-CG 4.39Å
8L90.2Very high90.7Very high7 Ų743.6 Ų43.64%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-108.2127176.8-46.8176.5000108.4Q6 W41 F52 T297 I298 I300Q6-L8 VanDerWaalsContact CD-CD2 3.49Å; Q6-L8 HydrophobicContact CG-CD2 3.84Å; L8-W41 HydrophobicContact CB-CD2 4.45Å; L8-W41 HydrophobicContact CB-CE3 4.04Å; L8-W41 HydrophobicContact CB-CH2 3.99Å; L8-W41 HydrophobicContact CB-CZ2 4.41Å; L8-W41 HydrophobicContact CB-CZ3 3.8Å; L8-W41 HydrophobicContact CD1-CB 4.23Å; L8-W41 HydrophobicContact CD1-CD2 3.76Å; L8-W41 HydrophobicContact CD1-CE3 3.81Å; L8-W41 HydrophobicContact CD1-CG 3.95Å; L8-W41 HydrophobicContact CD1-CZ3 4.43Å; L8-W41 HydrophobicContact CD2-CE3 4.43Å; L8-W41 HydrophobicContact CG-CE3 4.31Å; L8-F52 HydrophobicContact CD1-CB 3.94Å; L8-F52 HydrophobicContact CD2-CB 3.82Å; L8-T297 WeakPolarHBondContact O-CA 3.35Å; L8-I298 HydrophobicContact CB-CB 4.13Å; L8-I298 HydrophobicContact CD1-CB 4.39Å; L8-I298 HydrophobicContact CD1-CG2 4.3Å; L8-I298 HydrophobicContact CG-CB 4.48Å; L8-I298 PolarHBondContact N-O 3.41Å; L8-I298 PolarHBondContact O-N 3.23Å; L8-I300 HydrophobicContact CD1-CD1 3.96Å; L8-I300 HydrophobicContact CG-CD1 4.38Å
9V87.6Confident90.9Very high101 Ų10142.1 Ų42.161%0.61222%0.22SC*.EExtended strand (participates in β ladder)trans-118.9126.3177.4-176.60000106.6T297V9-T297 HydrophobicContact CG2-CG2 4.13Å
10G79.1Confident91.1Very high17 Ų1741.9 Ų41.918%0.17522%0.217CC..  trans-173.3-26.4178.200000113.1R57G10-R57 PolarHBondContact O-NH1 3.02Å; G10-R57 PolarHBondContact O-NH2 3.11Å
11H89Confident91.1Very high10 Ų1040.2 Ų40.25%0.04621%0.208CC..  trans-77.6154.3169.1-72.5-62.3000111.2V15 S31 S33 D35 T37 C39 A296H11-V15 HydrophobicContact CB-CG2 3.98Å; H11-S31 PolarHBondContact NE2-OG 3.06Å; H11-S33 VanDerWaalsContact CE1-CB 3.47Å; H11-S33 WeakPolarHBondContact CE1-CB 3.3Å; H11-S33 VanDerWaalsContact CG-CB 3.43Å; H11-S33 WeakPolarHBondContact ND1-CB 3.32Å; H11-D35 VanDerWaalsContact CA-OD2 3.29Å; H11-D35 WeakPolarHBondContact CA-OD2 3.37Å; H11-D35 VanDerWaalsContact CB-OD2 3.32Å; H11-D35 WeakPolarHBondContact CB-OD2 3.48Å; H11-D35 IonicContact CG-OD2 3.84Å; H11-D35 IonicContact ND1-OD1 3.15Å; H11-D35 IonicContact ND1-OD2 3.51Å; H11-D35 PolarHBondContact ND1-OD2 2.86Å; H11-T37 PolarHBondContact CE1-OG1 3.1Å; H11-T37 VanDerWaalsContact CE1-OG1 3.26Å; H11-T37 PolarHBondContact ND1-OG1 2.86Å; H11-T37 VanDerWaalsContact ND1-OG1 3.1Å; H11-C39 PolarHBondContact CE1-SG 2.56Å; H11-A296 HydrophobicContact CB-CB 4.41Å; H11-A296 WeakPolarHBondContact O-CB 3.23Å
12E85.3Confident90.8Very high179 Ų17939.6 Ų39.684%0.83621%0.21SC*.SBendtrans-99.9-11.8178.5-64.6179.8179.500112.3D35E12-D35 HydrophobicContact CB-CB 4.33Å; E12-D35 PolarHBondContact N-OD2 3.43Å
13S89.4Confident89.9Confident36 Ų3640.6 Ų40.625%0.25222%0.219SC..SBendtrans-143.9-179.9-179.1-167.40000110.2V15 S33 A296S13-V15 PolarHBondContact O-N 2.9Å; S13-S33 PolarHBondContact O-OG 2.79Å; S13-A296 WeakPolarHBondContact O-CA 3.08Å; S13-A296 WeakPolarHBondContact O-CB 3.29Å
14D91.2Very high88.9Confident36 Ų3645 Ų4519%0.19324%0.238CC..  trans-43.1124-177.6-72.455.9000113.6R16 S33 Q34 W279 S294D14-R16 PolarHBondContact O-N 3.08Å; D14-S33 CarbonylContact O-C 3.52Å; D14-S33 VanDerWaalsContact O-CA 3.24Å; D14-S33 WeakPolarHBondContact O-CA 3.3Å; D14-S33 PolarHBondContact O-OG 2.97Å; D14-Q34 HydrophobicContact CB-CB 4.21Å; D14-Q34 PolarHBondContact O-N 3.5Å; D14-W279 PolarHBondContact OD2-NE1 3.14Å; D14-S294 VanDerWaalsContact CG-O 3.27Å; D14-S294 VanDerWaalsContact OD2-CA 3.29Å; D14-S294 WeakPolarHBondContact OD2-CA 3.47Å; D14-S294 WeakPolarHBondContact OD2-CB 3.37Å
15V93.6Very high87.9Confident0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-80.4103.7170.6-166.20000107.8H11 S13 G32 A292 C293 I298H11-V15 HydrophobicContact CB-CG2 3.98Å; S13-V15 PolarHBondContact O-N 2.9Å; V15-G32 CarbonylContact C-O 3.48Å; V15-A292 HydrophobicContact CB-CB 4.03Å; V15-A292 HydrophobicContact CG1-CB 3.75Å; V15-A292 CarbonylContact O-C 3.59Å; V15-A292 WeakPolarHBondContact O-CB 3.4Å; V15-C293 PolarHBondContact N-O 3.44Å; V15-C293 VanDerWaalsContact N-O 3.08Å; V15-I298 HydrophobicContact CB-CG1 4.5Å; V15-I298 HydrophobicContact CG1-CD1 4.28Å; V15-I298 HydrophobicContact CG1-CG1 3.98Å; V15-I298 HydrophobicContact CG2-CG1 4.25Å
16R93.3Very high87.3Confident8 Ų851.8 Ų51.83%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-84.2-31.6-170.4-67.3-54.5-144.6110.69.1113.9D14 G32 Q34 W279 P476 F477D14-R16 PolarHBondContact O-N 3.08Å; R16-G32 PolarHBondContact N-O 2.93Å; R16-Q34 HydrophobicContact CG-CB 4.43Å; R16-W279 VanDerWaalsContact O-CB 3.31Å; R16-W279 WeakPolarHBondContact O-CB 3.3Å; R16-P476 PolarHBondContact NH2-O 3.14Å; R16-F477 VanDerWaalsContact NH1-CD2 3.34Å
17C95.9Very high87.3Confident12 Ų1250.6 Ų50.68%0.08127%0.273CS..EExtended strand (participates in β ladder)trans-145.4149.8-175.258.10000110.8S31 G32 I68C17-S31 VanDerWaalsContact O-CA 3.29Å; C17-S31 WeakPolarHBondContact O-CA 3.41Å; C17-G32 PolarHBondContact N-O 2.93Å; C17-G32 PolarHBondContact O-N 3.48Å; C17-G32 VanDerWaalsContact SG-CA 3.59Å; C17-I68 HydrophobicContact CB-CB 4.49Å; C17-I68 HydrophobicContact CB-CG2 3.97Å
18I97.6Very high87.5Confident17 Ų1745.7 Ų45.79%0.08725%0.25CS..EExtended strand (participates in β ladder)trans-146.5139.7178.8-170.6167.8000109.1L29 V30 V282 A290 A292 I298I18-L29 HydrophobicContact CD1-CD1 4.43Å; I18-L29 HydrophobicContact CD1-CD2 4.29Å; I18-L29 HydrophobicContact CG1-CD2 4.26Å; I18-V30 CarbonylContact C-O 3.42Å; I18-V30 WeakPolarHBondContact CA-O 3.44Å; I18-V282 HydrophobicContact CD1-CG1 4.29Å; I18-V282 HydrophobicContact CG1-CG1 4.04Å; I18-V282 HydrophobicContact CG2-CB 4.47Å; I18-V282 HydrophobicContact CG2-CG1 4.04Å; I18-A290 HydrophobicContact CD1-CB 3.8Å; I18-A292 HydrophobicContact CB-CB 3.96Å; I18-A292 HydrophobicContact CG2-CB 3.77Å; I18-I298 HydrophobicContact CD1-CD1 4.32Å; I18-I298 HydrophobicContact CD1-CG1 4.42Å; I18-I298 HydrophobicContact CD1-CG2 3.56Å
19A96.1Very high87.8Confident15 Ų1545.3 Ų45.312%0.12425%0.248CC..EExtended strand (participates in β ladder)trans-140.7154.7174.200000109.9L29 V30 I68A19-L29 WeakPolarHBondContact O-CA 3.42Å; A19-V30 PolarHBondContact N-O 3.34Å; A19-V30 PolarHBondContact O-N 2.94Å; A19-I68 HydrophobicContact CB-CG2 3.97Å
20Q93.9Very high88.2Confident38 Ų3840.7 Ų40.718%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-73.3146.4161.9-173.2-175.4-71.700108.7L27 C28 V282 M284Q20-L27 HydrophobicContact CG-CD1 3.88Å; Q20-C28 WeakPolarHBondContact CG-O 3.39Å; Q20-V282 HydrophobicContact CB-CG2 4.49Å; Q20-M284 VanDerWaalsContact OE1-CA 3.29Å
21F91Very high89Confident6 Ų639.9 Ų39.93%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-125.7131.9169.5179.4-103.7000109.5S23 C28 V30 E70 I82 G96F21-S23 PolarHBondContact O-N 3.19Å; F21-C28 HydrophobicContact CB-CB 4.27Å; F21-C28 HydrophobicContact CD1-CB 4.28Å; F21-C28 PolarHBondContact N-O 3.01Å; F21-C28 WeakPolarHBondContact O-CB 3.32Å; F21-C28 PolarHBondContact O-N 2.86Å; F21-V30 HydrophobicContact CB-CG2 3.45Å; F21-V30 VanDerWaalsContact CB-CG2 3.45Å; F21-V30 HydrophobicContact CG-CG2 4.07Å; F21-E70 WeakPolarHBondContact CA-OE2 3.39Å; F21-E70 HydrophobicContact CD2-CB 4.09Å; F21-E70 HydrophobicContact CD2-CG 3.71Å; F21-E70 HydrophobicContact CE2-CG 4.05Å; F21-I82 HydrophobicContact CD2-CG1 3.82Å; F21-I82 HydrophobicContact CE2-CG1 3.89Å; F21-I82 HydrophobicContact CG-CG1 4.33Å; F21-I82 HydrophobicContact CZ-CG1 4.43Å; F21-G96 WeakPolarHBondContact CE1-O 3.12Å; F21-G96 VanDerWaalsContact CZ-CA 3.43Å
22T81.3Confident89.4Confident86 Ų8639.4 Ų39.453%0.52821%0.21SC..EExtended strand (participates in β ladder)trans-9099.3-173.4-51.40000109.6E70T22-E70 WeakPolarHBondContact CA-OE1 3.24Å; T22-E70 WeakPolarHBondContact CB-OE1 3.45Å; T22-E70 PolarHBondContact N-OE1 3.06Å; T22-E70 PolarHBondContact N-OE2 2.63Å; T22-E70 PolarHBondContact OG1-OE1 2.98Å; T22-E70 PolarHBondContact OG1-OE2 3.48Å
23S74.4Confident89.8Confident38 Ų3830.9 Ų30.927%0.26617%0.17SC..  trans-93.3145.5168-173.70000110F21 D25F21-S23 PolarHBondContact O-N 3.19Å; S23-D25 PolarHBondContact O-N 2.87Å; S23-D25 VanDerWaalsContact O-N 3.1Å
24K71.8Confident89.9Confident161 Ų16133 Ų3370%0.718%0.176SC*.SBendtrans-55.6-29.9-178-70.9174.8-176.9153.50113.6E97K24-E97 IonicContact NZ-OE1 2.71Å
25D73.1Confident89.9Confident136 Ų13633.1 Ų33.173%0.72718%0.176SC*.SBendtrans-115.7-12.8-166.5-57.7-34.6000114.5S23S23-D25 PolarHBondContact O-N 2.87Å; S23-D25 VanDerWaalsContact O-N 3.1Å
26S80.3Confident89.8Confident32 Ų3233.3 Ų33.322%0.22418%0.179CC..SBendtrans-159.9154.7-173.8-47.20000112.3C28 K42S26-C28 PolarHBondContact O-N 3.49Å; S26-K42 VanDerWaalsContact CB-CE 3.47Å; S26-K42 WeakPolarHBondContact OG-CE 3.42Å
27L90.3Very high89.9Confident20 Ų2033.6 Ų33.611%0.10518%0.181CC..EExtended strand (participates in β ladder)trans-70125.4170.6-174.959.2000109.5Q20 E43 F52 M284 S285 N286Q20-L27 HydrophobicContact CG-CD1 3.88Å; L27-E43 HydrophobicContact CB-CB 4.28Å; L27-E43 VanDerWaalsContact O-CB 3.29Å; L27-E43 WeakPolarHBondContact O-CB 3.48Å; L27-E43 PolarHBondContact O-N 2.81Å; L27-F52 HydrophobicContact CB-CZ 4.43Å; L27-F52 HydrophobicContact CD2-CZ 3.78Å; L27-F52 HydrophobicContact CG-CE1 4.23Å; L27-F52 HydrophobicContact CG-CZ 3.88Å; L27-F52 WeakPolarHBondContact O-CE1 3.24Å; L27-M284 HydrophobicContact CD2-CB 4.31Å; L27-M284 HydrophobicContact CD2-CE 4.12Å; L27-M284 HydrophobicContact CD2-SD 3.94Å; L27-M284 HydrophobicContact CG-SD 4.32Å; L27-S285 WeakPolarHBondContact CD1-OG 3.43Å; L27-N286 HydrophobicContact CD2-CB 4.18Å; L27-N286 WeakPolarHBondContact CD2-ND2 3.43Å
28C93.4Very high89.9Confident4 Ų433 Ų333%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-120.1147.7176.1-64.40000111.2Q20 F21 S26 W41Q20-C28 WeakPolarHBondContact CG-O 3.39Å; F21-C28 HydrophobicContact CB-CB 4.27Å; F21-C28 HydrophobicContact CD1-CB 4.28Å; F21-C28 PolarHBondContact N-O 3.01Å; F21-C28 WeakPolarHBondContact O-CB 3.32Å; F21-C28 PolarHBondContact O-N 2.86Å; S26-C28 PolarHBondContact O-N 3.49Å; C28-W41 CarbonylContact C-O 3.51Å; C28-W41 WeakPolarHBondContact CA-O 3.5Å
29L95.5Very high89.9Confident0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-115.5148.3167.4-75.6169.7000108.7I18 A19 W41 F52 V282 M284 A290 I300I18-L29 HydrophobicContact CD1-CD1 4.43Å; I18-L29 HydrophobicContact CD1-CD2 4.29Å; I18-L29 HydrophobicContact CG1-CD2 4.26Å; A19-L29 WeakPolarHBondContact O-CA 3.42Å; L29-W41 HydrophobicContact CB-CB 4.18Å; L29-W41 PolarHBondContact N-O 3.14Å; L29-W41 PolarHBondContact O-N 2.85Å; L29-F52 HydrophobicContact CD1-CD1 4.31Å; L29-F52 HydrophobicContact CD1-CE1 4.06Å; L29-F52 HydrophobicContact CD1-CZ 4.2Å; L29-F52 HydrophobicContact CG-CE1 4.04Å; L29-F52 HydrophobicContact CG-CZ 4.41Å; L29-V282 HydrophobicContact CD2-CG1 3.91Å; L29-M284 HydrophobicContact CD1-SD 3.65Å; L29-M284 HydrophobicContact CD2-CG 3.97Å; L29-M284 HydrophobicContact CD2-SD 3.51Å; L29-M284 VanDerWaalsContact CD2-SD 3.51Å; L29-M284 HydrophobicContact CG-SD 3.59Å; L29-M284 VanDerWaalsContact CG-SD 3.59Å; L29-A290 HydrophobicContact CD1-CB 3.82Å; L29-A290 HydrophobicContact CD2-CB 4.21Å; L29-I300 HydrophobicContact CD1-CD1 3.74Å; L29-I300 HydrophobicContact CD1-CG1 4.39Å
30V96.5Very high89.8Confident3 Ų331.6 Ų31.62%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-128.5133.8171.8-1650000108.7I18 A19 F21 V38 C39 V40 I68 I82I18-V30 CarbonylContact C-O 3.42Å; I18-V30 WeakPolarHBondContact CA-O 3.44Å; A19-V30 PolarHBondContact N-O 3.34Å; A19-V30 PolarHBondContact O-N 2.94Å; F21-V30 HydrophobicContact CB-CG2 3.45Å; F21-V30 VanDerWaalsContact CB-CG2 3.45Å; F21-V30 HydrophobicContact CG-CG2 4.07Å; V30-V38 HydrophobicContact CG1-CG1 3.37Å; V30-C39 CarbonylContact C-O 3.49Å; V30-C39 VanDerWaalsContact CA-O 3.3Å; V30-C39 WeakPolarHBondContact CA-O 3.39Å; V30-C39 WeakPolarHBondContact CG1-O 3.35Å; V30-V40 HydrophobicContact CG1-CG2 4.2Å; V30-V40 HydrophobicContact CG2-CG1 4.49Å; V30-V40 HydrophobicContact CG2-CG2 4.32Å; V30-I68 HydrophobicContact CB-CD1 3.93Å; V30-I68 HydrophobicContact CG1-CD1 3.27Å; V30-I68 HydrophobicContact CG1-CG1 4.48Å; V30-I82 HydrophobicContact CG1-CD1 4.05Å; V30-I82 HydrophobicContact CG1-CG2 3.94Å; V30-I82 HydrophobicContact CG2-CD1 3.83Å; V30-I82 HydrophobicContact CG2-CG1 4.2Å
31S97Very high89.9Confident0 Ų030.1 Ų30.10%016%0.161CC..EExtended strand (participates in β ladder)trans-125.5144.8-179.758.30000111.7H11 C17 V38 C39 W41 I298H11-S31 PolarHBondContact NE2-OG 3.06Å; C17-S31 VanDerWaalsContact O-CA 3.29Å; C17-S31 WeakPolarHBondContact O-CA 3.41Å; S31-V38 CarbonylContact O-C 3.56Å; S31-V38 VanDerWaalsContact O-CA 3.23Å; S31-V38 WeakPolarHBondContact O-CA 3.43Å; S31-C39 PolarHBondContact N-O 2.93Å; S31-C39 PolarHBondContact O-N 2.81Å; S31-W41 PolarHBondContact OG-NE1 3.24Å; S31-I298 VanDerWaalsContact CB-CD1 3.5Å; S31-I298 WeakPolarHBondContact OG-CD1 3.17Å
32G96.2Very high90Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-117.2144.7171.300000110.9V15 R16 C17V15-G32 CarbonylContact C-O 3.48Å; R16-G32 PolarHBondContact N-O 2.93Å; C17-G32 PolarHBondContact N-O 2.93Å; C17-G32 PolarHBondContact O-N 3.48Å; C17-G32 VanDerWaalsContact SG-CA 3.59Å
33S94.4Very high90.5Very high0 Ų029.1 Ų29.10%015%0.149CC..EExtended strand (participates in β ladder)trans-131.3163.9-173.1168.50000113.1H11 S13 D14 D35 G36 T37 V65H11-S33 VanDerWaalsContact CE1-CB 3.47Å; H11-S33 WeakPolarHBondContact CE1-CB 3.3Å; H11-S33 VanDerWaalsContact CG-CB 3.43Å; H11-S33 WeakPolarHBondContact ND1-CB 3.32Å; S13-S33 PolarHBondContact O-OG 2.79Å; D14-S33 CarbonylContact O-C 3.52Å; D14-S33 VanDerWaalsContact O-CA 3.24Å; D14-S33 WeakPolarHBondContact O-CA 3.3Å; D14-S33 PolarHBondContact O-OG 2.97Å; S33-D35 VanDerWaalsContact CB-OD1 3.23Å; S33-D35 WeakPolarHBondContact CB-OD1 3.44Å; S33-D35 PolarHBondContact O-N 3.29Å; S33-D35 PolarHBondContact OG-N 3.41Å; S33-D35 VanDerWaalsContact OG-N 3.1Å; S33-D35 PolarHBondContact OG-OD1 3.37Å; S33-D35 PolarHBondContact OG-OD2 2.83Å; S33-G36 PolarHBondContact O-N 3.28Å; S33-T37 PolarHBondContact N-O 3.36Å; S33-T37 VanDerWaalsContact N-O 3.16Å; S33-V65 PolarHBondContact O-N 3.44Å
34Q91.6Very high91.2Very high80 Ų8031.2 Ų31.237%0.37416%0.155SC..THydrogen-bonded Turntrans-72.3-3.7169.8-170.5162-2900113.6D14 R16 E63D14-Q34 HydrophobicContact CB-CB 4.21Å; D14-Q34 PolarHBondContact O-N 3.5Å; R16-Q34 HydrophobicContact CG-CB 4.43Å; Q34-E63 CarbonylContact C-O 3.55Å
35D90.4Very high91.8Very high39 Ų3928.6 Ų28.621%0.20916%0.155CC..THydrogen-bonded Turntrans-81.82.6166.563.626.5000113.6H11 E12 S33 T37H11-D35 VanDerWaalsContact CA-OD2 3.29Å; H11-D35 WeakPolarHBondContact CA-OD2 3.37Å; H11-D35 VanDerWaalsContact CB-OD2 3.32Å; H11-D35 WeakPolarHBondContact CB-OD2 3.48Å; H11-D35 IonicContact CG-OD2 3.84Å; H11-D35 IonicContact ND1-OD1 3.15Å; H11-D35 IonicContact ND1-OD2 3.51Å; H11-D35 PolarHBondContact ND1-OD2 2.86Å; E12-D35 HydrophobicContact CB-CB 4.33Å; E12-D35 PolarHBondContact N-OD2 3.43Å; S33-D35 VanDerWaalsContact CB-OD1 3.23Å; S33-D35 WeakPolarHBondContact CB-OD1 3.44Å; S33-D35 PolarHBondContact O-N 3.29Å; S33-D35 PolarHBondContact OG-N 3.41Å; S33-D35 VanDerWaalsContact OG-N 3.1Å; S33-D35 PolarHBondContact OG-OD1 3.37Å; S33-D35 PolarHBondContact OG-OD2 2.83Å; D35-T37 VanDerWaalsContact C-N 3.28Å; D35-T37 VanDerWaalsContact CG-OG1 3.3Å; D35-T37 PolarHBondContact O-N 2.94Å; D35-T37 WeakPolarHBondContact OD1-CA 3.29Å; D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.38Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.36Å; D35-T37 PolarHBondContact OD1-N 2.88Å; D35-T37 PolarHBondContact OD1-OG1 2.84Å; D35-T37 PolarHBondContact OD2-OG1 3.42Å
36G92.2Very high92Very high5 Ų525 Ų255%0.05214%0.138CC..SBendtrans788.217900000114.5S33 S60 S62 E63S33-G36 PolarHBondContact O-N 3.28Å; G36-S60 WeakPolarHBondContact O-CB 3.31Å; G36-S60 PolarHBondContact O-N 2.9Å; G36-S60 VanDerWaalsContact O-N 3.09Å; G36-S60 PolarHBondContact O-OG 3.09Å; G36-S62 VanDerWaalsContact CA-O 3.24Å; G36-S62 WeakPolarHBondContact CA-O 3.48Å; G36-E63 WeakPolarHBondContact CA-O 3.37Å; G36-E63 PolarHBondContact N-O 2.93Å
37T95.5Very high91.6Very high13 Ų1329.6 Ų29.68%0.0817%0.169CC..EExtended strand (participates in β ladder)trans-103.9151.1-179.671.90000113.1H11 S33 D35 R57 I58 K59H11-T37 PolarHBondContact CE1-OG1 3.1Å; H11-T37 VanDerWaalsContact CE1-OG1 3.26Å; H11-T37 PolarHBondContact ND1-OG1 2.86Å; H11-T37 VanDerWaalsContact ND1-OG1 3.1Å; S33-T37 PolarHBondContact N-O 3.36Å; S33-T37 VanDerWaalsContact N-O 3.16Å; D35-T37 VanDerWaalsContact C-N 3.28Å; D35-T37 VanDerWaalsContact CG-OG1 3.3Å; D35-T37 PolarHBondContact O-N 2.94Å; D35-T37 WeakPolarHBondContact OD1-CA 3.29Å; D35-T37 VanDerWaalsContact OD1-CB 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.38Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.36Å; D35-T37 PolarHBondContact OD1-N 2.88Å; D35-T37 PolarHBondContact OD1-OG1 2.84Å; D35-T37 PolarHBondContact OD2-OG1 3.42Å; T37-R57 HydrophobicContact CG2-CG 4.44Å; T37-I58 CarbonylContact C-O 3.52Å; T37-I58 WeakPolarHBondContact CA-O 3.26Å; T37-K59 HydrophobicContact CG2-CG 4.4Å
38V96.2Very high90.6Very high0 Ų032.5 Ų32.50%020%0.204CC..EExtended strand (participates in β ladder)trans-112.1124.5165.8179.10000108V30 S31 R57 I58 V65 I68 I82 A84V30-V38 HydrophobicContact CG1-CG1 3.37Å; S31-V38 CarbonylContact O-C 3.56Å; S31-V38 VanDerWaalsContact O-CA 3.23Å; S31-V38 WeakPolarHBondContact O-CA 3.43Å; V38-R57 WeakPolarHBondContact O-CA 3.47Å; V38-I58 HydrophobicContact CB-CB 4.17Å; V38-I58 HydrophobicContact CG1-CD1 4.46Å; V38-I58 PolarHBondContact N-O 3.36Å; V38-I58 PolarHBondContact O-N 3.04Å; V38-V65 HydrophobicContact CG2-CB 4.48Å; V38-V65 HydrophobicContact CG2-CG1 4.08Å; V38-V65 HydrophobicContact CG2-CG2 3.81Å; V38-I68 HydrophobicContact CG1-CD1 3.55Å; V38-I68 HydrophobicContact CG2-CD1 4.47Å; V38-I82 HydrophobicContact CG1-CG2 4.3Å; V38-A84 HydrophobicContact CG2-CB 4.11Å
39C96Very high89.7Confident0 Ų036.5 Ų36.50%023%0.229CC..EExtended strand (participates in β ladder)trans-109.9133.3178.2-74.30000110.6H11 V30 S31 W41 R57H11-C39 PolarHBondContact CE1-SG 2.56Å; V30-C39 CarbonylContact C-O 3.49Å; V30-C39 VanDerWaalsContact CA-O 3.3Å; V30-C39 WeakPolarHBondContact CA-O 3.39Å; V30-C39 WeakPolarHBondContact CG1-O 3.35Å; S31-C39 PolarHBondContact N-O 2.93Å; S31-C39 PolarHBondContact O-N 2.81Å; C39-W41 HydrophobicContact CB-CZ2 3.82Å; C39-R57 PolarHBondContact SG-NH1 3.09Å
40V95.3Very high89.2Confident2 Ų240.8 Ų40.81%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-102.9122.9173.6-177.20000108.1V30 H55 Y56 I82 F99V30-V40 HydrophobicContact CG1-CG2 4.2Å; V30-V40 HydrophobicContact CG2-CG1 4.49Å; V30-V40 HydrophobicContact CG2-CG2 4.32Å; V40-H55 PolarHBondContact O-N 3.38Å; V40-Y56 PolarHBondContact N-O 2.94Å; V40-Y56 PolarHBondContact O-N 3.01Å; V40-I82 HydrophobicContact CG2-CD1 3.67Å; V40-F99 HydrophobicContact CB-CE1 4.4Å; V40-F99 HydrophobicContact CB-CZ 4.48Å; V40-F99 HydrophobicContact CG1-CE1 4.13Å; V40-F99 HydrophobicContact CG1-CZ 4.07Å; V40-F99 HydrophobicContact CG2-CD1 4.05Å; V40-F99 HydrophobicContact CG2-CE1 3.77Å; V40-F99 HydrophobicContact CG2-CZ 4.31Å
41W95Very high88.8Confident7 Ų741.5 Ų41.53%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-111.5118.7-178.6-48.887.6000109L8 C28 L29 S31 C39 F52 A53 E54 I298L8-W41 HydrophobicContact CB-CD2 4.45Å; L8-W41 HydrophobicContact CB-CE3 4.04Å; L8-W41 HydrophobicContact CB-CH2 3.99Å; L8-W41 HydrophobicContact CB-CZ2 4.41Å; L8-W41 HydrophobicContact CB-CZ3 3.8Å; L8-W41 HydrophobicContact CD1-CB 4.23Å; L8-W41 HydrophobicContact CD1-CD2 3.76Å; L8-W41 HydrophobicContact CD1-CE3 3.81Å; L8-W41 HydrophobicContact CD1-CG 3.95Å; L8-W41 HydrophobicContact CD1-CZ3 4.43Å; L8-W41 HydrophobicContact CD2-CE3 4.43Å; L8-W41 HydrophobicContact CG-CE3 4.31Å; C28-W41 CarbonylContact C-O 3.51Å; C28-W41 WeakPolarHBondContact CA-O 3.5Å; L29-W41 HydrophobicContact CB-CB 4.18Å; L29-W41 PolarHBondContact N-O 3.14Å; L29-W41 PolarHBondContact O-N 2.85Å; S31-W41 PolarHBondContact OG-NE1 3.24Å; C39-W41 HydrophobicContact CB-CZ2 3.82Å; W41-F52 HydrophobicContact CB-CB 4.49Å; W41-F52 HydrophobicContact CB-CD1 4.24Å; W41-A53 CarbonylContact C-O 3.43Å; W41-A53 VanDerWaalsContact CA-O 3.28Å; W41-A53 WeakPolarHBondContact CA-O 3.32Å; W41-E54 HydrophobicContact CE3-CB 4.01Å; W41-E54 HydrophobicContact CH2-CB 4.48Å; W41-E54 HydrophobicContact CZ3-CB 3.81Å; W41-I298 HydrophobicContact CZ2-CD1 4Å
42K93.1Very high88.6Confident47 Ų4741.7 Ų41.720%0.20426%0.257CS..EExtended strand (participates in β ladder)trans-106.5132.9-180-172.4168.8-174.11750110.1S26 Q44 F52 A53 H55S26-K42 VanDerWaalsContact CB-CE 3.47Å; S26-K42 WeakPolarHBondContact OG-CE 3.42Å; K42-Q44 PolarHBondContact O-N 2.98Å; K42-F52 WeakPolarHBondContact O-CA 3.43Å; K42-A53 PolarHBondContact N-O 3.34Å; K42-A53 PolarHBondContact O-N 2.93Å; K42-H55 HydrophobicContact CB-CB 3.78Å
43E92.2Very high88.3Confident24 Ų2443 Ų4311%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-72.3121.6170.6-166.7-178.3-13800109.5R5 L27 M50 A51 F52R5-E43 IonicContact CZ-OE1 2.76Å; R5-E43 VanDerWaalsContact CZ-OE1 3.29Å; R5-E43 IonicContact NH1-OE1 3.67Å; R5-E43 PolarHBondContact NH1-OE1 2.68Å; R5-E43 VanDerWaalsContact NH1-OE1 3.08Å; R5-E43 IonicContact NH2-OE1 2.84Å; R5-E43 PolarHBondContact NH2-OE1 3.4Å; L27-E43 HydrophobicContact CB-CB 4.28Å; L27-E43 VanDerWaalsContact O-CB 3.29Å; L27-E43 WeakPolarHBondContact O-CB 3.48Å; L27-E43 PolarHBondContact O-N 2.81Å; E43-M50 HydrophobicContact CG-CB 3.91Å; E43-M50 HydrophobicContact CG-CE 3.99Å; E43-A51 WeakPolarHBondContact CA-O 3.33Å; E43-F52 HydrophobicContact CB-CD1 4.08Å; E43-F52 HydrophobicContact CB-CE1 3.89Å; E43-F52 HydrophobicContact CB-CE2 4.48Å; E43-F52 HydrophobicContact CB-CG 4.47Å; E43-F52 HydrophobicContact CB-CZ 4.11Å; E43-F52 HydrophobicContact CG-CE2 4.44Å; E43-F52 HydrophobicContact CG-CZ 4.48Å
44Q88.4Confident88.3Confident83 Ų8347 Ų4739%0.38829%0.287SS..EExtended strand (participates in β ladder)trans-138.8154.6-17861.2179.37.300111K42 V46 A51 A53K42-Q44 PolarHBondContact O-N 2.98Å; Q44-V46 HydrophobicContact CG-CG2 4.14Å; Q44-V46 PolarHBondContact O-N 3.06Å; Q44-A51 PolarHBondContact N-O 2.99Å; Q44-A51 PolarHBondContact O-N 3.26Å; Q44-A53 HydrophobicContact CG-CB 4.33Å
45P85.2Confident88.3Confident106 Ų10647.9 Ų47.969%0.68829%0.29SS*.EExtended strand (participates in β ladder)trans-68.7117.7177.226-33000110.5M50P45-M50 HydrophobicContact CB-SD 4.02Å
46V78.4Confident88.4Confident61 Ų6151.1 Ų51.137%0.3730%0.301SS..EExtended strand (participates in β ladder)trans-124115.5174.1-176.50000108.3Q44 G48 T49 A51Q44-V46 HydrophobicContact CG-CG2 4.14Å; Q44-V46 PolarHBondContact O-N 3.06Å; V46-G48 PolarHBondContact O-N 3.23Å; V46-G48 VanDerWaalsContact O-N 3.12Å; V46-T49 CarbonylContact C-O 3.59Å; V46-T49 PolarHBondContact N-O 3.38Å; V46-T49 PolarHBondContact O-N 2.77Å; V46-T49 PolarHBondContact O-OG1 2.86Å; V46-T49 VanDerWaalsContact O-OG1 3.1Å; V46-A51 HydrophobicContact CB-CB 4.32Å; V46-A51 HydrophobicContact CG2-CB 4.22Å
47S70.5Confident88.5Confident127 Ų12754.4 Ų54.489%0.88831%0.311SS*.THydrogen-bonded Turntrans51.438.2175-58.60000114.7
48G69.2Low88.5Confident82 Ų8254.3 Ų54.385%0.84531%0.31SS*.THydrogen-bonded Turntrans87.3-0.9178.300000115.4V46V46-G48 PolarHBondContact O-N 3.23Å; V46-G48 VanDerWaalsContact O-N 3.12Å
49T76Confident88.3Confident87 Ų8762.7 Ų62.753%0.53435%0.347SS..EExtended strand (participates in β ladder)trans-122.9149.117557.50000110.8V46V46-T49 CarbonylContact C-O 3.59Å; V46-T49 PolarHBondContact N-O 3.38Å; V46-T49 PolarHBondContact O-N 2.77Å; V46-T49 PolarHBondContact O-OG1 2.86Å; V46-T49 VanDerWaalsContact O-OG1 3.1Å
50M83.9Confident87.6Confident90 Ų9063 Ų6344%0.44335%0.349SS..EExtended strand (participates in β ladder)trans-80.5123.8174.1-68.9-64-87.800109.6R5 E43 P45R5-M50 PolarHBondContact NH2-O 3.01Å; E43-M50 HydrophobicContact CG-CB 3.91Å; E43-M50 HydrophobicContact CG-CE 3.99Å; P45-M50 HydrophobicContact CB-SD 4.02Å
51A87.8Confident86.8Confident18 Ų1866.4 Ų66.415%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-136.4147.9-179.900000110.7E43 Q44 V46E43-A51 WeakPolarHBondContact CA-O 3.33Å; Q44-A51 PolarHBondContact N-O 2.99Å; Q44-A51 PolarHBondContact O-N 3.26Å; V46-A51 HydrophobicContact CB-CB 4.32Å; V46-A51 HydrophobicContact CG2-CB 4.22Å
52F92.5Very high86.2Confident5 Ų567 Ų672%0.02239%0.389CS..EExtended strand (participates in β ladder)trans-78.2136.8173.6-71.9-90.1000110.1Q6 L8 L27 L29 W41 K42 E43 M284 I300Q6-F52 PolarHBondContact NE2-O 3.11Å; L8-F52 HydrophobicContact CD1-CB 3.94Å; L8-F52 HydrophobicContact CD2-CB 3.82Å; L27-F52 HydrophobicContact CB-CZ 4.43Å; L27-F52 HydrophobicContact CD2-CZ 3.78Å; L27-F52 HydrophobicContact CG-CE1 4.23Å; L27-F52 HydrophobicContact CG-CZ 3.88Å; L27-F52 WeakPolarHBondContact O-CE1 3.24Å; L29-F52 HydrophobicContact CD1-CD1 4.31Å; L29-F52 HydrophobicContact CD1-CE1 4.06Å; L29-F52 HydrophobicContact CD1-CZ 4.2Å; L29-F52 HydrophobicContact CG-CE1 4.04Å; L29-F52 HydrophobicContact CG-CZ 4.41Å; W41-F52 HydrophobicContact CB-CB 4.49Å; W41-F52 HydrophobicContact CB-CD1 4.24Å; K42-F52 WeakPolarHBondContact O-CA 3.43Å; E43-F52 HydrophobicContact CB-CD1 4.08Å; E43-F52 HydrophobicContact CB-CE1 3.89Å; E43-F52 HydrophobicContact CB-CE2 4.48Å; E43-F52 HydrophobicContact CB-CG 4.47Å; E43-F52 HydrophobicContact CB-CZ 4.11Å; E43-F52 HydrophobicContact CG-CE2 4.44Å; E43-F52 HydrophobicContact CG-CZ 4.48Å; F52-M284 HydrophobicContact CE2-CE 3.94Å; F52-M284 HydrophobicContact CE2-SD 4.39Å; F52-M284 HydrophobicContact CZ-CE 3.87Å; F52-M284 HydrophobicContact CZ-SD 3.78Å; F52-I300 HydrophobicContact CB-CD1 4.42Å; F52-I300 HydrophobicContact CD2-CD1 3.42Å; F52-I300 VanDerWaalsContact CD2-CD1 3.42Å; F52-I300 HydrophobicContact CE2-CD1 3.77Å; F52-I300 HydrophobicContact CG-CD1 3.99Å
53A91.6Very high85.7Confident28 Ų2872.6 Ų72.623%0.23142%0.416CS..EExtended strand (participates in β ladder)trans-13515417100000110W41 K42 Q44 H55W41-A53 CarbonylContact C-O 3.43Å; W41-A53 VanDerWaalsContact CA-O 3.28Å; W41-A53 WeakPolarHBondContact CA-O 3.32Å; K42-A53 PolarHBondContact N-O 3.34Å; K42-A53 PolarHBondContact O-N 2.93Å; Q44-A53 HydrophobicContact CG-CB 4.33Å; A53-H55 PolarHBondContact O-N 3Å; A53-H55 VanDerWaalsContact O-N 3.13Å
54E92.6Very high85.6Confident84 Ų8472 Ų7239%0.39341%0.414SS..EExtended strand (participates in β ladder)trans-61.1116.9172.9-174.4177.6158.500109W41 R57W41-E54 HydrophobicContact CE3-CB 4.01Å; W41-E54 HydrophobicContact CH2-CB 4.48Å; W41-E54 HydrophobicContact CZ3-CB 3.81Å; E54-R57 VanDerWaalsContact CD-NH2 3.29Å; E54-R57 WeakPolarHBondContact OE1-CB 3.36Å; E54-R57 IonicContact OE1-CZ 2.66Å; E54-R57 IonicContact OE1-NE 3.16Å; E54-R57 PolarHBondContact OE1-NE 2.79Å; E54-R57 IonicContact OE1-NH2 3.42Å; E54-R57 PolarHBondContact OE1-NH2 2.99Å; E54-R57 VanDerWaalsContact OE1-NH2 3.16Å; E54-R57 IonicContact OE2-CZ 3.19Å; E54-R57 IonicContact OE2-NE 2.75Å; E54-R57 IonicContact OE2-NH2 3.74Å; E54-R57 PolarHBondContact OE2-NH2 2.89Å
55H91.7Very high85.9Confident98 Ų9868 Ų6845%0.45440%0.395SS..EExtended strand (participates in β ladder)trans-94.2-40.7177.8-17758.8000111.1V40 K42 A53 F99V40-H55 PolarHBondContact O-N 3.38Å; K42-H55 HydrophobicContact CB-CB 3.78Å; A53-H55 PolarHBondContact O-N 3Å; A53-H55 VanDerWaalsContact O-N 3.13Å; H55-F99 AromaticContact CD2-CE2 3.8Å; H55-F99 AromaticContact CD2-CZ 3.96Å
56Y92.6Very high86.3Confident107 Ų10763.2 Ų63.242%0.4237%0.365SS..EExtended strand (participates in β ladder)trans-154.5153-179.3-158-93.4000111.6V40 I58 F99V40-Y56 PolarHBondContact N-O 2.94Å; V40-Y56 PolarHBondContact O-N 3.01Å; Y56-I58 HydrophobicContact CD1-CG1 3.78Å; Y56-I58 HydrophobicContact CE1-CG1 3.94Å; Y56-F99 HydrophobicContact CD1-CB 3.61Å; Y56-F99 AromaticContact CD1-CD2 3.72Å; Y56-F99 HydrophobicContact CD1-CD2 3.72Å; Y56-F99 AromaticContact CD1-CG 3.78Å; Y56-F99 HydrophobicContact CD1-CG 3.78Å; Y56-F99 AromaticContact CD2-CD2 3.77Å; Y56-F99 HydrophobicContact CD2-CD2 3.77Å; Y56-F99 HydrophobicContact CD2-CE2 4.37Å; Y56-F99 HydrophobicContact CE1-CB 3.62Å; Y56-F99 HydrophobicContact CE1-CD2 4.3Å; Y56-F99 HydrophobicContact CE1-CG 4.27Å; Y56-F99 HydrophobicContact CE2-CD2 4.32Å; Y56-F99 HydrophobicContact CG-CB 4.24Å; Y56-F99 AromaticContact CG-CD2 3.43Å; Y56-F99 HydrophobicContact CG-CD2 3.43Å; Y56-F99 VanDerWaalsContact CG-CD2 3.43Å; Y56-F99 HydrophobicContact CG-CE2 4.03Å; Y56-F99 AromaticContact CG-CG 3.98Å; Y56-F99 HydrophobicContact CG-CG 3.98Å
57R94.9Very high87.1Confident74 Ų7460.8 Ų60.828%0.27935%0.351SS..EExtended strand (participates in β ladder)trans-131.7125.3174.7-179-179.6-58.6-113.58.1111.4G10 T37 V38 C39 E54G10-R57 PolarHBondContact O-NH1 3.02Å; G10-R57 PolarHBondContact O-NH2 3.11Å; T37-R57 HydrophobicContact CG2-CG 4.44Å; V38-R57 WeakPolarHBondContact O-CA 3.47Å; C39-R57 PolarHBondContact SG-NH1 3.09Å; E54-R57 VanDerWaalsContact CD-NH2 3.29Å; E54-R57 WeakPolarHBondContact OE1-CB 3.36Å; E54-R57 IonicContact OE1-CZ 2.66Å; E54-R57 IonicContact OE1-NE 3.16Å; E54-R57 PolarHBondContact OE1-NE 2.79Å; E54-R57 IonicContact OE1-NH2 3.42Å; E54-R57 PolarHBondContact OE1-NH2 2.99Å; E54-R57 VanDerWaalsContact OE1-NH2 3.16Å; E54-R57 IonicContact OE2-CZ 3.19Å; E54-R57 IonicContact OE2-NE 2.75Å; E54-R57 IonicContact OE2-NH2 3.74Å; E54-R57 PolarHBondContact OE2-NH2 2.89Å
58I94.9Very high88.4Confident11 Ų1155.6 Ų55.66%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-104.9125.4179.8-50.4171.8000108T37 V38 Y56 Y94 F99T37-I58 CarbonylContact C-O 3.52Å; T37-I58 WeakPolarHBondContact CA-O 3.26Å; V38-I58 HydrophobicContact CB-CB 4.17Å; V38-I58 HydrophobicContact CG1-CD1 4.46Å; V38-I58 PolarHBondContact N-O 3.36Å; V38-I58 PolarHBondContact O-N 3.04Å; Y56-I58 HydrophobicContact CD1-CG1 3.78Å; Y56-I58 HydrophobicContact CE1-CG1 3.94Å; I58-Y94 HydrophobicContact CD1-CD1 4.11Å; I58-Y94 HydrophobicContact CD1-CD2 4.2Å; I58-Y94 HydrophobicContact CD1-CG 3.87Å; I58-Y94 HydrophobicContact CG2-CD1 3.84Å; I58-Y94 HydrophobicContact CG2-CE1 3.38Å; I58-Y94 HydrophobicContact CG2-CE2 4.22Å; I58-Y94 HydrophobicContact CG2-CG 4.43Å; I58-F99 HydrophobicContact CD1-CB 4.03Å; I58-F99 HydrophobicContact CD1-CD1 4.48Å; I58-F99 HydrophobicContact CG1-CB 4.22Å
59K92.1Very high89.6Confident176 Ų17652.5 Ų52.577%0.76528%0.279SS*.EExtended strand (participates in β ladder)trans-85.4113.2166.1-68.9-170.1176.2-171.30108.4T37 G61T37-K59 HydrophobicContact CG2-CG 4.4Å; K59-G61 PolarHBondContact O-N 2.84Å
60S82.3Confident90.5Very high6 Ų650.3 Ų50.34%0.04226%0.262CS..  trans-68.3-22.4-174.869.50000113.6G36 S62 R92 Y94G36-S60 WeakPolarHBondContact O-CB 3.31Å; G36-S60 PolarHBondContact O-N 2.9Å; G36-S60 VanDerWaalsContact O-N 3.09Å; G36-S60 PolarHBondContact O-OG 3.09Å; S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact OG-N 3.13Å; S60-S62 PolarHBondContact OG-O 3.07Å; S60-R92 PolarHBondContact O-NE 3.18Å; S60-R92 PolarHBondContact O-NH2 3.16Å; S60-Y94 WeakPolarHBondContact CA-OH 3.49Å
61G78.5Confident90.8Very high73 Ų7346.2 Ų46.275%0.75324%0.242SC*.SBendtrans79.78-17200000113.6K59K59-G61 PolarHBondContact O-N 2.84Å
62S82Confident90.9Very high19 Ų1947 Ų4713%0.13325%0.246CC..SBendtrans-115.7161.7169.6-173.60000109.6G36 S60 T64 A87 D88G36-S62 VanDerWaalsContact CA-O 3.24Å; G36-S62 WeakPolarHBondContact CA-O 3.48Å; S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact OG-N 3.13Å; S60-S62 PolarHBondContact OG-O 3.07Å; S62-T64 VanDerWaalsContact C-N 3.3Å; S62-T64 PolarHBondContact O-N 2.81Å; S62-A87 PolarHBondContact OG-N 3.49Å; S62-D88 PolarHBondContact OG-N 3.2Å
63E82.5Confident90.7Very high166 Ų16650.9 Ų50.978%0.77627%0.274SS*.SBendtrans-66.5-30.4179.6-64.9177.7173.400112.7Q34 G36Q34-E63 CarbonylContact C-O 3.55Å; G36-E63 WeakPolarHBondContact CA-O 3.37Å; G36-E63 PolarHBondContact N-O 2.93Å
64T90.7Very high90.3Very high10 Ų1051.9 Ų51.96%0.06128%0.278CS..  trans-151.3140.4-175.6171.20000111.8S62 C86 A87 R111S62-T64 VanDerWaalsContact C-N 3.3Å; S62-T64 PolarHBondContact O-N 2.81Å; T64-C86 WeakPolarHBondContact O-CA 3.48Å; T64-A87 HydrophobicContact CG2-CB 3.21Å; T64-A87 PolarHBondContact O-N 3.06Å; T64-R111 PolarHBondContact OG1-NH2 3.26Å
65V94.4Very high89.9Confident0 Ų056.2 Ų56.20%030%0.304CS..EExtended strand (participates in β ladder)trans-97114.7170-176.20000107.9S33 V38 A84S33-V65 PolarHBondContact O-N 3.44Å; V38-V65 HydrophobicContact CG2-CB 4.48Å; V38-V65 HydrophobicContact CG2-CG1 4.08Å; V38-V65 HydrophobicContact CG2-CG2 3.81Å; V65-A84 HydrophobicContact CG1-CB 4.08Å
66A93.2Very high89.5Confident6 Ų655.7 Ų55.75%0.0530%0.302CS..EExtended strand (participates in β ladder)trans-88.2-40-173.100000112.9A85 V112A66-A85 PolarHBondContact N-O 3.41Å; A66-V112 WeakPolarHBondContact CB-O 3.3Å
67A95.5Very high89.2Confident10 Ų1051.6 Ų51.68%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-145.7153.8-178.600000110.7A85 C113 L115A67-A85 HydrophobicContact CB-CB 4.18Å; A67-A85 PolarHBondContact N-O 3.49Å; A67-A85 PolarHBondContact O-N 2.9Å; A67-C113 WeakPolarHBondContact CB-O 3.36Å; A67-L115 HydrophobicContact CB-CD1 4.47Å; A67-L115 HydrophobicContact CB-CG 4.23Å
68I96.6Very high88.9Confident17 Ų1752.1 Ų52.19%0.08730%0.299CS..EExtended strand (participates in β ladder)trans-143144.2-179.8-157.3168.1000110.1C17 A19 V30 V38 I82 V83C17-I68 HydrophobicContact CB-CB 4.49Å; C17-I68 HydrophobicContact CB-CG2 3.97Å; A19-I68 HydrophobicContact CB-CG2 3.97Å; V30-I68 HydrophobicContact CB-CD1 3.93Å; V30-I68 HydrophobicContact CG1-CD1 3.27Å; V30-I68 HydrophobicContact CG1-CG1 4.48Å; V38-I68 HydrophobicContact CG1-CD1 3.55Å; V38-I68 HydrophobicContact CG2-CD1 4.47Å; I68-I82 HydrophobicContact CD1-CG2 3.75Å; I68-I82 HydrophobicContact CG1-CG2 3.94Å; I68-V83 VanDerWaalsContact CA-O 3.26Å; I68-V83 WeakPolarHBondContact CA-O 3.43Å; I68-V83 VanDerWaalsContact CG1-O 3.32Å; I68-V83 WeakPolarHBondContact CG1-O 3.48Å
69C95.2Very high88.6Confident18 Ų1853.8 Ų53.812%0.12231%0.308CS..EExtended strand (participates in β ladder)trans-148.9163.7169.461.90000110.9V83 L115C69-V83 PolarHBondContact N-O 3.18Å; C69-V83 PolarHBondContact O-N 3.06Å; C69-L115 HydrophobicContact CB-CB 4.41Å
70E94.2Very high88.5Confident40 Ų4045.5 Ų45.519%0.18727%0.272CS..EExtended strand (participates in β ladder)trans-87.9133.2170.7173.6173.9-158.400109.7F21 T22F21-E70 WeakPolarHBondContact CA-OE2 3.39Å; F21-E70 HydrophobicContact CD2-CB 4.09Å; F21-E70 HydrophobicContact CD2-CG 3.71Å; F21-E70 HydrophobicContact CE2-CG 4.05Å; T22-E70 WeakPolarHBondContact CA-OE1 3.24Å; T22-E70 WeakPolarHBondContact CB-OE1 3.45Å; T22-E70 PolarHBondContact N-OE1 3.06Å; T22-E70 PolarHBondContact N-OE2 2.63Å; T22-E70 PolarHBondContact OG1-OE1 2.98Å; T22-E70 PolarHBondContact OG1-OE2 3.48Å
71M92.1Very high89Confident5 Ų545.2 Ų45.23%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-92.1115.9159.8178.165.168.900107.4Y77 G80 A81 V83 V117 G122 L124M71-Y77 HydrophobicContact CG-CD2 3.81Å; M71-Y77 HydrophobicContact CG-CE2 4.37Å; M71-G80 CarbonylContact O-C 3.55Å; M71-G80 WeakPolarHBondContact O-CA 3.41Å; M71-A81 HydrophobicContact CB-CB 3.99Å; M71-A81 HydrophobicContact CG-CB 4.49Å; M71-A81 PolarHBondContact N-O 2.9Å; M71-A81 PolarHBondContact O-N 3.32Å; M71-V83 HydrophobicContact CB-CG2 3.88Å; M71-V117 HydrophobicContact CE-CG1 3.89Å; M71-V117 HydrophobicContact CE-CG2 3.84Å; M71-V117 HydrophobicContact SD-CG1 3.53Å; M71-V117 VanDerWaalsContact SD-CG1 3.53Å; M71-V117 HydrophobicContact SD-CG2 4.38Å; M71-G122 WeakPolarHBondContact CE-O 3.43Å; M71-L124 HydrophobicContact CE-CB 4.24Å
72P89.3Confident89.8Confident34 Ų3441.8 Ų41.822%0.22124%0.235CC..  trans-58.2160177.1-22.932.8000112.1C74 E119P72-C74 PolarHBondContact O-N 2.92Å; P72-E119 HydrophobicContact CG-CB 4.37Å; P72-E119 HydrophobicContact CG-CG 3.93Å
73S87.5Confident90.5Very high87 Ų8740.9 Ų40.961%0.60823%0.229SC*.  trans-60.2127.9173.5590000111Y77S73-Y77 VanDerWaalsContact CA-O 3.3Å; S73-Y77 WeakPolarHBondContact CA-O 3.43Å
74C83.7Confident91.2Very high48 Ų4833 Ų3332%0.32419%0.192SC..  trans-142.5177175.571.30000110.3P72 Q76 Y77 P78P72-C74 PolarHBondContact O-N 2.92Å; C74-Q76 PolarHBondContact O-N 3.07Å; C74-Q76 VanDerWaalsContact O-N 3.14Å; C74-Y77 PolarHBondContact N-O 3.04Å; C74-Y77 CarbonylContact O-C 3.45Å; C74-Y77 PolarHBondContact O-N 3.38Å; C74-Y77 PolarHBondContact SG-N 3.49Å; C74-P78 WeakPolarHBondContact O-CA 3.31Å; C74-P78 VanDerWaalsContact O-N 3.15Å
75D83.8Confident91.4Very high175 Ų17532.5 Ų32.594%0.93619%0.189SC*.SBendtrans-56.3-33-179.2-67.6-15.4000113.1
76Q83.1Confident91.1Very high88 Ų8832.5 Ų32.541%0.41119%0.189SC..SBendtrans-81.1-32.2177.9-169175.230.400112.8C74 P138C74-Q76 PolarHBondContact O-N 3.07Å; C74-Q76 VanDerWaalsContact O-N 3.14Å; Q76-P138 PolarHBondContact NE2-O 3.18Å; Q76-P138 VanDerWaalsContact NE2-O 3.16Å; Q76-P138 PolarHBondContact OE1-O 3.34Å
77Y87.4Confident90.8Very high20 Ų2033.6 Ų33.68%0.07820%0.198CC..  trans-128.276-177.9-51.6-61.7000109.1M71 S73 C74 N79 G80 A81 L93 L102M71-Y77 HydrophobicContact CG-CD2 3.81Å; M71-Y77 HydrophobicContact CG-CE2 4.37Å; S73-Y77 VanDerWaalsContact CA-O 3.3Å; S73-Y77 WeakPolarHBondContact CA-O 3.43Å; C74-Y77 PolarHBondContact N-O 3.04Å; C74-Y77 CarbonylContact O-C 3.45Å; C74-Y77 PolarHBondContact O-N 3.38Å; C74-Y77 PolarHBondContact SG-N 3.49Å; Y77-N79 PolarHBondContact O-N 2.91Å; Y77-N79 VanDerWaalsContact O-N 3.07Å; Y77-G80 PolarHBondContact O-N 3.14Å; Y77-A81 HydrophobicContact CG-CB 4.48Å; Y77-L93 HydrophobicContact CE1-CD2 4.38Å; Y77-L93 HydrophobicContact CE2-CD2 4.13Å; Y77-L102 HydrophobicContact CD1-CD1 3.73Å; Y77-L102 HydrophobicContact CE1-CD1 4.06Å
78P87.3Confident90.5Very high86 Ų8635.2 Ų35.256%0.55821%0.205SC*.THydrogen-bonded Turntrans-62.5-21.9-172.123.3-34.7000113.7C74C74-P78 WeakPolarHBondContact O-CA 3.31Å; C74-P78 VanDerWaalsContact O-N 3.15Å
79N88.6Confident90.3Very high45 Ų4540.8 Ų40.824%0.24123%0.225CC..THydrogen-bonded Turntrans-98.97178.2-69.6-15.4000113.1Y77 E97Y77-N79 PolarHBondContact O-N 2.91Å; Y77-N79 VanDerWaalsContact O-N 3.07Å; N79-E97 HydrophobicContact CB-CB 4.38Å; N79-E97 HydrophobicContact CB-CG 3.97Å; N79-E97 PolarHBondContact ND2-OE2 3.15Å; N79-E97 PolarHBondContact OD1-OE1 3.13Å
80G91Very high90.3Very high2 Ų242.9 Ų42.92%0.02123%0.232CC..  trans66.2-179.3-163.700000111.7M71 Y77 G96M71-G80 CarbonylContact O-C 3.55Å; M71-G80 WeakPolarHBondContact O-CA 3.41Å; Y77-G80 PolarHBondContact O-N 3.14Å; G80-G96 PolarHBondContact O-N 3.11Å; G80-G96 VanDerWaalsContact O-N 3.09Å
81A93.6Very high90.3Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-147.2152.7174.700000111.9M71 Y77 Y94 L102M71-A81 HydrophobicContact CB-CB 3.99Å; M71-A81 HydrophobicContact CG-CB 4.49Å; M71-A81 PolarHBondContact N-O 2.9Å; M71-A81 PolarHBondContact O-N 3.32Å; Y77-A81 HydrophobicContact CG-CB 4.48Å; A81-Y94 CarbonylContact C-O 3.51Å; A81-Y94 WeakPolarHBondContact CA-O 3.3Å; A81-Y94 WeakPolarHBondContact CB-O 3.38Å; A81-L102 HydrophobicContact CB-CD1 4.32Å
82I95.3Very high90.5Very high2 Ų241.4 Ų41.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-93121.9168.9-62.8169000107.5F21 V30 V38 V40 I68 L93 Y94 F99F21-I82 HydrophobicContact CD2-CG1 3.82Å; F21-I82 HydrophobicContact CE2-CG1 3.89Å; F21-I82 HydrophobicContact CG-CG1 4.33Å; F21-I82 HydrophobicContact CZ-CG1 4.43Å; V30-I82 HydrophobicContact CG1-CD1 4.05Å; V30-I82 HydrophobicContact CG1-CG2 3.94Å; V30-I82 HydrophobicContact CG2-CD1 3.83Å; V30-I82 HydrophobicContact CG2-CG1 4.2Å; V38-I82 HydrophobicContact CG1-CG2 4.3Å; V40-I82 HydrophobicContact CG2-CD1 3.67Å; I68-I82 HydrophobicContact CD1-CG2 3.75Å; I68-I82 HydrophobicContact CG1-CG2 3.94Å; I82-L93 CarbonylContact O-C 3.54Å; I82-L93 WeakPolarHBondContact O-CA 3.27Å; I82-Y94 PolarHBondContact N-O 2.94Å; I82-Y94 PolarHBondContact O-N 2.93Å; I82-F99 HydrophobicContact CD1-CD1 4.01Å; I82-F99 HydrophobicContact CD1-CE1 4Å
83V95.7Very high90.7Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-104.6123.4179.2-1660000109.4I68 C69 M71 I91 R92 L93 L115 L124I68-V83 VanDerWaalsContact CA-O 3.26Å; I68-V83 WeakPolarHBondContact CA-O 3.43Å; I68-V83 VanDerWaalsContact CG1-O 3.32Å; I68-V83 WeakPolarHBondContact CG1-O 3.48Å; C69-V83 PolarHBondContact N-O 3.18Å; C69-V83 PolarHBondContact O-N 3.06Å; M71-V83 HydrophobicContact CB-CG2 3.88Å; V83-I91 HydrophobicContact CG1-CG2 3.39Å; V83-R92 CarbonylContact C-O 3.04Å; V83-R92 WeakPolarHBondContact CA-O 3.42Å; V83-L93 HydrophobicContact CG1-CD1 4Å; V83-L93 HydrophobicContact CG1-CG 4.2Å; V83-L93 HydrophobicContact CG2-CG 4.13Å; V83-L115 HydrophobicContact CB-CD1 4.33Å; V83-L115 HydrophobicContact CG1-CD1 3.89Å; V83-L124 HydrophobicContact CG1-CD1 3.96Å; V83-L124 HydrophobicContact CG1-CD2 3.83Å
84A96.6Very high91.1Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-123.6124.5-178.300000111.6V38 V65 I91 R92 Y94V38-A84 HydrophobicContact CG2-CB 4.11Å; V65-A84 HydrophobicContact CG1-CB 4.08Å; A84-I91 WeakPolarHBondContact O-CA 3.45Å; A84-R92 PolarHBondContact N-O 2.89Å; A84-R92 PolarHBondContact O-N 2.94Å; A84-Y94 HydrophobicContact CB-CE2 4.2Å
85A95Very high91.6Very high0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-92.4126.5171.500000109.9A66 A67 V112 L115A66-A85 PolarHBondContact N-O 3.41Å; A67-A85 HydrophobicContact CB-CB 4.18Å; A67-A85 PolarHBondContact N-O 3.49Å; A67-A85 PolarHBondContact O-N 2.9Å; A85-V112 HydrophobicContact CB-CB 3.9Å; A85-V112 HydrophobicContact CB-CG1 3.63Å; A85-L115 HydrophobicContact CB-CD1 3.73Å; A85-L115 HydrophobicContact CB-CD2 4.13Å; A85-L115 HydrophobicContact CB-CG 3.86Å
86C89.3Confident91.9Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-114.1161.4-173.4-63.10000111.7T64 D88 R89 K90 R92T64-C86 WeakPolarHBondContact O-CA 3.48Å; C86-D88 WeakPolarHBondContact CB-OD1 3.4Å; C86-D88 PolarHBondContact O-N 3.11Å; C86-R89 PolarHBondContact O-N 3.39Å; C86-K90 PolarHBondContact N-O 3.2Å; C86-K90 VanDerWaalsContact N-O 3.1Å; C86-R92 PolarHBondContact SG-NH1 3.41Å; C86-R92 VanDerWaalsContact SG-NH1 3.43Å
87A85.8Confident92.2Very high29 Ų2927.4 Ų27.424%0.2414%0.138CC..THydrogen-bonded Turntrans-60.3-23.8176.500000114.2S62 T64 R89S62-A87 PolarHBondContact OG-N 3.49Å; T64-A87 HydrophobicContact CG2-CB 3.21Å; T64-A87 PolarHBondContact O-N 3.06Å; A87-R89 PolarHBondContact O-N 3.37Å
88D90.2Very high92.5Very high43 Ų4329.8 Ų29.823%0.2316%0.155CC..THydrogen-bonded Turntrans-75.314.7179.874.7-25.6000114.4S62 C86 K90 R92S62-D88 PolarHBondContact OG-N 3.2Å; C86-D88 WeakPolarHBondContact CB-OD1 3.4Å; C86-D88 PolarHBondContact O-N 3.11Å; D88-K90 WeakPolarHBondContact O-CG 3.49Å; D88-K90 PolarHBondContact O-N 3.48Å; D88-K90 PolarHBondContact OD1-N 2.94Å; D88-R92 IonicContact OD1-CZ 2.84Å; D88-R92 IonicContact OD1-NH1 3.32Å; D88-R92 PolarHBondContact OD1-NH1 3.3Å; D88-R92 IonicContact OD1-NH2 2.63Å; D88-R92 IonicContact OD2-CZ 3.17Å; D88-R92 IonicContact OD2-NH1 2.87Å; D88-R92 PolarHBondContact OD2-NH1 2.97Å; D88-R92 IonicContact OD2-NH2 2.68Å; D88-R92 PolarHBondContact OD2-NH2 3.39Å
89R92.6Very high92.7Very high134 Ų13426.5 Ų26.551%0.50613%0.131SC..SBendtrans724.8178.3-43.5173-77.6-170.9-3.1114.3C86 A87 D109 N110C86-R89 PolarHBondContact O-N 3.39Å; A87-R89 PolarHBondContact O-N 3.37Å; R89-D109 VanDerWaalsContact CD-O 3.23Å; R89-D109 WeakPolarHBondContact CD-O 3.48Å; R89-D109 PolarHBondContact NH1-O 2.81Å; R89-N110 WeakPolarHBondContact CB-O 3.48Å; R89-N110 WeakPolarHBondContact CG-O 3.47Å
90K93.8Very high93Very high62 Ų6230.7 Ų30.727%0.2715%0.15SC..  trans-103.7148.7-176.5-48-171-172.1173.30110.8C86 D88 M104 Q106C86-K90 PolarHBondContact N-O 3.2Å; C86-K90 VanDerWaalsContact N-O 3.1Å; D88-K90 WeakPolarHBondContact O-CG 3.49Å; D88-K90 PolarHBondContact O-N 3.48Å; D88-K90 PolarHBondContact OD1-N 2.94Å; K90-M104 HydrophobicContact CB-CG 4.15Å; K90-M104 HydrophobicContact CB-SD 4.5Å; K90-M104 HydrophobicContact CD-CE 4.33Å; K90-M104 HydrophobicContact CD-CG 4.01Å; K90-M104 HydrophobicContact CD-SD 3.35Å; K90-M104 WeakPolarHBondContact CD-SD 3.5Å; K90-M104 HydrophobicContact CG-SD 4.5Å; K90-Q106 HydrophobicContact CD-CG 4.06Å; K90-Q106 HydrophobicContact CG-CG 4.11Å
91I95Very high93.2Very high1 Ų134.7 Ų34.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-109.6128.1172-52.5164.6000107.6V83 A84 L93 M104 L105 V112 L115 L124 W136V83-I91 HydrophobicContact CG1-CG2 3.39Å; A84-I91 WeakPolarHBondContact O-CA 3.45Å; I91-L93 HydrophobicContact CG2-CD1 4.35Å; I91-M104 CarbonylContact O-C 3.55Å; I91-M104 WeakPolarHBondContact O-CA 3.47Å; I91-L105 HydrophobicContact CB-CB 4.2Å; I91-L105 PolarHBondContact N-O 2.84Å; I91-L105 PolarHBondContact O-N 3.31Å; I91-V112 HydrophobicContact CD1-CG1 4.17Å; I91-V112 HydrophobicContact CD1-CG2 4.45Å; I91-V112 HydrophobicContact CG1-CB 4.42Å; I91-V112 HydrophobicContact CG1-CG1 4.1Å; I91-V112 HydrophobicContact CG1-CG2 4.17Å; I91-L115 HydrophobicContact CD1-CD2 3.93Å; I91-L115 HydrophobicContact CG1-CD2 4.23Å; I91-L115 HydrophobicContact CG2-CD1 4.36Å; I91-L115 HydrophobicContact CG2-CD2 4.13Å; I91-L124 HydrophobicContact CD1-CD2 4.43Å; I91-L124 HydrophobicContact CG2-CD2 4.03Å; I91-W136 HydrophobicContact CD1-CZ2 4.14Å
92R95.5Very high93.2Very high13 Ų1338.6 Ų38.65%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-114132.5-176.8-67175177.266.1-1.4109.7S60 V83 A84 C86 D88 Y94 L101 K103 M104S60-R92 PolarHBondContact O-NE 3.18Å; S60-R92 PolarHBondContact O-NH2 3.16Å; V83-R92 CarbonylContact C-O 3.04Å; V83-R92 WeakPolarHBondContact CA-O 3.42Å; A84-R92 PolarHBondContact N-O 2.89Å; A84-R92 PolarHBondContact O-N 2.94Å; C86-R92 PolarHBondContact SG-NH1 3.41Å; C86-R92 VanDerWaalsContact SG-NH1 3.43Å; D88-R92 IonicContact OD1-CZ 2.84Å; D88-R92 IonicContact OD1-NH1 3.32Å; D88-R92 PolarHBondContact OD1-NH1 3.3Å; D88-R92 IonicContact OD1-NH2 2.63Å; D88-R92 IonicContact OD2-CZ 3.17Å; D88-R92 IonicContact OD2-NH1 2.87Å; D88-R92 PolarHBondContact OD2-NH1 2.97Å; D88-R92 IonicContact OD2-NH2 2.68Å; D88-R92 PolarHBondContact OD2-NH2 3.39Å; R92-Y94 HydrophobicContact CB-CD2 4.49Å; R92-Y94 HydrophobicContact CB-CE2 3.69Å; R92-Y94 WeakPolarHBondContact CD-OH 3.41Å; R92-L101 HydrophobicContact CB-CD1 3.72Å; R92-L101 HydrophobicContact CG-CD1 4.02Å; R92-K103 WeakPolarHBondContact CA-O 3.35Å; R92-M104 HydrophobicContact CG-CE 4.21Å
93L94.8Very high93Very high4 Ų440.2 Ų40.22%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-107.7124.8175-74.370.4000108.2Y77 I82 V83 I91 L102 K103 L105Y77-L93 HydrophobicContact CE1-CD2 4.38Å; Y77-L93 HydrophobicContact CE2-CD2 4.13Å; I82-L93 CarbonylContact O-C 3.54Å; I82-L93 WeakPolarHBondContact O-CA 3.27Å; V83-L93 HydrophobicContact CG1-CD1 4Å; V83-L93 HydrophobicContact CG1-CG 4.2Å; V83-L93 HydrophobicContact CG2-CG 4.13Å; I91-L93 HydrophobicContact CG2-CD1 4.35Å; L93-L102 PolarHBondContact O-N 3.37Å; L93-K103 HydrophobicContact CB-CB 4.12Å; L93-K103 HydrophobicContact CD2-CB 4.47Å; L93-K103 PolarHBondContact N-O 3.39Å; L93-K103 PolarHBondContact O-N 2.99Å; L93-L105 HydrophobicContact CD1-CD1 4.01Å; L93-L105 HydrophobicContact CD1-CG 4.12Å
94Y94.9Very high92.9Very high9 Ų943.3 Ų43.34%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-111.6139.3177.2-59.5-84.8000110.2I58 S60 A81 I82 A84 R92 Q100 L101I58-Y94 HydrophobicContact CD1-CD1 4.11Å; I58-Y94 HydrophobicContact CD1-CD2 4.2Å; I58-Y94 HydrophobicContact CD1-CG 3.87Å; I58-Y94 HydrophobicContact CG2-CD1 3.84Å; I58-Y94 HydrophobicContact CG2-CE1 3.38Å; I58-Y94 HydrophobicContact CG2-CE2 4.22Å; I58-Y94 HydrophobicContact CG2-CG 4.43Å; S60-Y94 WeakPolarHBondContact CA-OH 3.49Å; A81-Y94 CarbonylContact C-O 3.51Å; A81-Y94 WeakPolarHBondContact CA-O 3.3Å; A81-Y94 WeakPolarHBondContact CB-O 3.38Å; I82-Y94 PolarHBondContact N-O 2.94Å; I82-Y94 PolarHBondContact O-N 2.93Å; A84-Y94 HydrophobicContact CB-CE2 4.2Å; R92-Y94 HydrophobicContact CB-CD2 4.49Å; R92-Y94 HydrophobicContact CB-CE2 3.69Å; R92-Y94 WeakPolarHBondContact CD-OH 3.41Å; Y94-Q100 CarbonylContact C-O 3.5Å; Y94-Q100 VanDerWaalsContact CA-O 3.27Å; Y94-Q100 WeakPolarHBondContact CA-O 3.31Å; Y94-L101 HydrophobicContact CD1-CB 4.14Å; Y94-L101 HydrophobicContact CD1-CD1 4.22Å; Y94-L101 HydrophobicContact CE1-CB 3.99Å; Y94-L101 HydrophobicContact CE1-CD1 3.82Å
95D94Very high92.8Very high15 Ų1544 Ų448%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-59.5138.1177.7-179.6-134.2000111.8E97 T98 F99 Q100 L102D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.42Å; D95-T98 VanDerWaalsContact CB-OG1 3.28Å; D95-T98 WeakPolarHBondContact CB-OG1 3.13Å; D95-T98 VanDerWaalsContact OD1-CB 3.27Å; D95-T98 WeakPolarHBondContact OD1-CB 3.17Å; D95-T98 VanDerWaalsContact OD1-CG2 3.3Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.5Å; D95-T98 PolarHBondContact OD1-N 3.35Å; D95-T98 PolarHBondContact OD1-OG1 3.12Å; D95-F99 WeakPolarHBondContact O-CA 3.28Å; D95-F99 PolarHBondContact O-N 3.45Å; D95-Q100 PolarHBondContact N-O 3.06Å; D95-L102 HydrophobicContact CB-CD1 3.83Å; D95-L102 HydrophobicContact CB-CD2 3.92Å; D95-L102 HydrophobicContact CB-CG 3.82Å
96G90.9Very high92.6Very high6 Ų649.5 Ų49.56%0.06224%0.242CC..THydrogen-bonded Turntrans-67-20.9-17500000115.5F21 G80 F99F21-G96 WeakPolarHBondContact CE1-O 3.12Å; F21-G96 VanDerWaalsContact CZ-CA 3.43Å; G80-G96 PolarHBondContact O-N 3.11Å; G80-G96 VanDerWaalsContact O-N 3.09Å; G96-F99 WeakPolarHBondContact O-CE1 3.44Å
97E89.7Confident92.4Very high105 Ų10550.8 Ų50.849%0.49126%0.255SS..THydrogen-bonded Turntrans-110.8-47179-74.1-178.7177.200112.6K24 N79 D95 F99K24-E97 IonicContact NZ-OE1 2.71Å; N79-E97 HydrophobicContact CB-CB 4.38Å; N79-E97 HydrophobicContact CB-CG 3.97Å; N79-E97 PolarHBondContact ND2-OE2 3.15Å; N79-E97 PolarHBondContact OD1-OE1 3.13Å; D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.42Å; E97-F99 WeakPolarHBondContact O-CE2 3.35Å
98T92.4Very high92.6Very high70 Ų7049.8 Ų49.843%0.42925%0.246SC..THydrogen-bonded Turntrans-85.8-14.9-177.166.90000113.7D95 Q100D95-T98 VanDerWaalsContact CB-OG1 3.28Å; D95-T98 WeakPolarHBondContact CB-OG1 3.13Å; D95-T98 VanDerWaalsContact OD1-CB 3.27Å; D95-T98 WeakPolarHBondContact OD1-CB 3.17Å; D95-T98 VanDerWaalsContact OD1-CG2 3.3Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.5Å; D95-T98 PolarHBondContact OD1-N 3.35Å; D95-T98 PolarHBondContact OD1-OG1 3.12Å; T98-Q100 PolarHBondContact O-N 2.77Å
99F92.8Very high92.5Very high16 Ų1651.9 Ų51.97%0.0726%0.257CS..  trans56.616.9-175.4-50.8-62.1000114.5V40 H55 Y56 I58 I82 D95 G96 E97V40-F99 HydrophobicContact CB-CE1 4.4Å; V40-F99 HydrophobicContact CB-CZ 4.48Å; V40-F99 HydrophobicContact CG1-CE1 4.13Å; V40-F99 HydrophobicContact CG1-CZ 4.07Å; V40-F99 HydrophobicContact CG2-CD1 4.05Å; V40-F99 HydrophobicContact CG2-CE1 3.77Å; V40-F99 HydrophobicContact CG2-CZ 4.31Å; H55-F99 AromaticContact CD2-CE2 3.8Å; H55-F99 AromaticContact CD2-CZ 3.96Å; Y56-F99 HydrophobicContact CD1-CB 3.61Å; Y56-F99 AromaticContact CD1-CD2 3.72Å; Y56-F99 HydrophobicContact CD1-CD2 3.72Å; Y56-F99 AromaticContact CD1-CG 3.78Å; Y56-F99 HydrophobicContact CD1-CG 3.78Å; Y56-F99 AromaticContact CD2-CD2 3.77Å; Y56-F99 HydrophobicContact CD2-CD2 3.77Å; Y56-F99 HydrophobicContact CD2-CE2 4.37Å; Y56-F99 HydrophobicContact CE1-CB 3.62Å; Y56-F99 HydrophobicContact CE1-CD2 4.3Å; Y56-F99 HydrophobicContact CE1-CG 4.27Å; Y56-F99 HydrophobicContact CE2-CD2 4.32Å; Y56-F99 HydrophobicContact CG-CB 4.24Å; Y56-F99 AromaticContact CG-CD2 3.43Å; Y56-F99 HydrophobicContact CG-CD2 3.43Å; Y56-F99 VanDerWaalsContact CG-CD2 3.43Å; Y56-F99 HydrophobicContact CG-CE2 4.03Å; Y56-F99 AromaticContact CG-CG 3.98Å; Y56-F99 HydrophobicContact CG-CG 3.98Å; I58-F99 HydrophobicContact CD1-CB 4.03Å; I58-F99 HydrophobicContact CD1-CD1 4.48Å; I58-F99 HydrophobicContact CG1-CB 4.22Å; I82-F99 HydrophobicContact CD1-CD1 4.01Å; I82-F99 HydrophobicContact CD1-CE1 4Å; D95-F99 WeakPolarHBondContact O-CA 3.28Å; D95-F99 PolarHBondContact O-N 3.45Å; G96-F99 WeakPolarHBondContact O-CE1 3.44Å; E97-F99 WeakPolarHBondContact O-CE2 3.35Å
100Q94.2Very high92.4Very high133 Ų13348.3 Ų48.362%0.62125%0.248SC*.  trans-78.9147.4175.1-64.9-174.1-0.800110.5Y94 D95 T98 L102Y94-Q100 CarbonylContact C-O 3.5Å; Y94-Q100 VanDerWaalsContact CA-O 3.27Å; Y94-Q100 WeakPolarHBondContact CA-O 3.31Å; D95-Q100 PolarHBondContact N-O 3.06Å; T98-Q100 PolarHBondContact O-N 2.77Å; Q100-L102 PolarHBondContact O-N 3.11Å; Q100-L102 VanDerWaalsContact O-N 3.15Å
101L95Very high92.3Very high87 Ų8747 Ų4746%0.45524%0.241SC..EExtended strand (participates in β ladder)trans-65.3114.8175.9-17971.3000109.5R92 Y94 K103 M104R92-L101 HydrophobicContact CB-CD1 3.72Å; R92-L101 HydrophobicContact CG-CD1 4.02Å; Y94-L101 HydrophobicContact CD1-CB 4.14Å; Y94-L101 HydrophobicContact CD1-CD1 4.22Å; Y94-L101 HydrophobicContact CE1-CB 3.99Å; Y94-L101 HydrophobicContact CE1-CD1 3.82Å; L101-K103 WeakPolarHBondContact CD1-O 3.09Å; L101-M104 HydrophobicContact CD2-CE 4.21Å
102L93.3Very high92.3Very high81 Ų8146.9 Ų46.942%0.42424%0.241SC..EExtended strand (participates in β ladder)trans-85.3-46.3175.7-66.7176.5000111.4Y77 A81 L93 D95 Q100Y77-L102 HydrophobicContact CD1-CD1 3.73Å; Y77-L102 HydrophobicContact CE1-CD1 4.06Å; A81-L102 HydrophobicContact CB-CD1 4.32Å; L93-L102 PolarHBondContact O-N 3.37Å; D95-L102 HydrophobicContact CB-CD1 3.83Å; D95-L102 HydrophobicContact CB-CD2 3.92Å; D95-L102 HydrophobicContact CB-CG 3.82Å; Q100-L102 PolarHBondContact O-N 3.11Å; Q100-L102 VanDerWaalsContact O-N 3.15Å
103K92.1Very high92.2Very high36 Ų3646.8 Ų46.816%0.15724%0.242CC..EExtended strand (participates in β ladder)trans-152.5151-167.6-158.6169-169.2177.50112.3R92 L93 L101 L105 D140R92-K103 WeakPolarHBondContact CA-O 3.35Å; L93-K103 HydrophobicContact CB-CB 4.12Å; L93-K103 HydrophobicContact CD2-CB 4.47Å; L93-K103 PolarHBondContact N-O 3.39Å; L93-K103 PolarHBondContact O-N 2.99Å; L101-K103 WeakPolarHBondContact CD1-O 3.09Å; K103-L105 HydrophobicContact CD-CD2 4.13Å; K103-L105 HydrophobicContact CG-CD2 4.24Å; K103-D140 WeakPolarHBondContact CE-OD1 3.32Å; K103-D140 VanDerWaalsContact CE-OD2 3.26Å; K103-D140 WeakPolarHBondContact CE-OD2 3.35Å; K103-D140 IonicContact NZ-OD1 3.41Å; K103-D140 PolarHBondContact NZ-OD1 3.15Å; K103-D140 IonicContact NZ-OD2 3.02Å; K103-D140 PolarHBondContact NZ-OD2 2.87Å
104M93.3Very high92.3Very high66 Ų6647.2 Ų47.233%0.32525%0.245SC..EExtended strand (participates in β ladder)trans-131.2115.2175.3-176.5-179.2-71.800109.3K90 I91 R92 L101 Q106K90-M104 HydrophobicContact CB-CG 4.15Å; K90-M104 HydrophobicContact CB-SD 4.5Å; K90-M104 HydrophobicContact CD-CE 4.33Å; K90-M104 HydrophobicContact CD-CG 4.01Å; K90-M104 HydrophobicContact CD-SD 3.35Å; K90-M104 WeakPolarHBondContact CD-SD 3.5Å; K90-M104 HydrophobicContact CG-SD 4.5Å; I91-M104 CarbonylContact O-C 3.55Å; I91-M104 WeakPolarHBondContact O-CA 3.47Å; R92-M104 HydrophobicContact CG-CE 4.21Å; L101-M104 HydrophobicContact CD2-CE 4.21Å; M104-Q106 HydrophobicContact CG-CG 4.28Å; M104-Q106 PolarHBondContact SD-NE2 3.15Å; M104-Q106 VanDerWaalsContact SD-NE2 3.42Å
105L93.4Very high92.4Very high14 Ų1447.8 Ų47.87%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-93133.2176.9-50.2174.7000109.2I91 L93 K103 L124 W136I91-L105 HydrophobicContact CB-CB 4.2Å; I91-L105 PolarHBondContact N-O 2.84Å; I91-L105 PolarHBondContact O-N 3.31Å; L93-L105 HydrophobicContact CD1-CD1 4.01Å; L93-L105 HydrophobicContact CD1-CG 4.12Å; K103-L105 HydrophobicContact CD-CD2 4.13Å; K103-L105 HydrophobicContact CG-CD2 4.24Å; L105-L124 HydrophobicContact CD1-CD2 3.66Å; L105-W136 HydrophobicContact CB-CD2 4.27Å; L105-W136 HydrophobicContact CB-CE3 3.95Å; L105-W136 HydrophobicContact CB-CH2 4.3Å; L105-W136 HydrophobicContact CB-CZ3 3.96Å; L105-W136 HydrophobicContact CD1-CB 4.03Å; L105-W136 HydrophobicContact CD1-CD2 3.87Å; L105-W136 HydrophobicContact CD1-CE3 4.1Å; L105-W136 HydrophobicContact CD1-CG 3.82Å; L105-W136 HydrophobicContact CD2-CE3 4.35Å; L105-W136 HydrophobicContact CG-CE3 4.36Å
106Q91.6Very high92.5Very high115 Ų11547.9 Ų47.954%0.53725%0.251SS..  trans-132.5139.9-179.4-60.1-176.118.100109K90 M104K90-Q106 HydrophobicContact CD-CG 4.06Å; K90-Q106 HydrophobicContact CG-CG 4.11Å; M104-Q106 HydrophobicContact CG-CG 4.28Å; M104-Q106 PolarHBondContact SD-NE2 3.15Å; M104-Q106 VanDerWaalsContact SD-NE2 3.42Å
107G86.1Confident92.7Very high27 Ų2748.9 Ų48.928%0.27826%0.256SS..  trans165.2-26.6171.500000114.8R134G107-R134 VanDerWaalsContact C-CZ 3.4Å; G107-R134 PolarHBondContact O-NH1 3.18Å; G107-R134 PolarHBondContact O-NH2 2.93Å
108H89.3Confident92.8Very high8 Ų844.1 Ų44.14%0.03724%0.235CC..  trans-64141.3172.2-83.3-66.2000110.8N110 V112 S126 S128 D130 T132H108-N110 VanDerWaalsContact C-N 3.31Å; H108-V112 HydrophobicContact CB-CG2 3.87Å; H108-S126 PolarHBondContact CD2-OG 3.28Å; H108-S126 PolarHBondContact NE2-OG 2.97Å; H108-S128 VanDerWaalsContact CE1-CB 3.4Å; H108-S128 WeakPolarHBondContact CE1-CB 3.19Å; H108-S128 WeakPolarHBondContact ND1-CB 3.24Å; H108-D130 WeakPolarHBondContact CA-OD2 3.46Å; H108-D130 WeakPolarHBondContact CB-OD2 3.39Å; H108-D130 IonicContact CE1-OD2 3.74Å; H108-D130 IonicContact CG-OD2 3.77Å; H108-D130 IonicContact ND1-OD1 3.45Å; H108-D130 IonicContact ND1-OD2 3.83Å; H108-D130 PolarHBondContact ND1-OD2 2.96Å; H108-T132 PolarHBondContact CE1-OG1 2.9Å
109D88.7Confident92.4Very high88 Ų8849.1 Ų49.147%0.47125%0.253SS..SBendtrans-83.7-15.4-177.2-69.5-39.2000112.1R89 D130R89-D109 VanDerWaalsContact CD-O 3.23Å; R89-D109 WeakPolarHBondContact CD-O 3.48Å; R89-D109 PolarHBondContact NH1-O 2.81Å; D109-D130 HydrophobicContact CB-CB 4.13Å; D109-D130 PolarHBondContact N-OD2 3.48Å
110N89.2Confident92.1Very high58 Ų5854.1 Ų54.131%0.3128%0.277SS..SBendtrans-140.2-179.7-179.2-151.6-21.5000111.5R89 H108 V112 S128 W129 D130R89-N110 WeakPolarHBondContact CB-O 3.48Å; R89-N110 WeakPolarHBondContact CG-O 3.47Å; H108-N110 VanDerWaalsContact C-N 3.31Å; N110-V112 PolarHBondContact O-N 2.86Å; N110-S128 PolarHBondContact O-OG 3.39Å; N110-W129 HydrophobicContact CB-CB 3.8Å; N110-D130 HydrophobicContact CB-CB 4.07Å
111R91.3Very high91.7Very high34 Ų3450.7 Ų50.713%0.12827%0.265CS..  trans-56.2126.4-174.5176.8167-175.7179.71.8111.1T64 S128 W129T64-R111 PolarHBondContact OG1-NH2 3.26Å; R111-S128 WeakPolarHBondContact O-CA 3.32Å; R111-S128 PolarHBondContact O-OG 2.95Å; R111-W129 HydrophobicContact CB-CD2 4.34Å; R111-W129 HydrophobicContact CB-CG 4.21Å; R111-W129 VanDerWaalsContact O-CD1 3.29Å; R111-W129 PolarHBondContact O-N 3.28Å
112V94.9Very high91.4Very high0 Ų047.4 Ų47.40%025%0.252CS..EExtended strand (participates in β ladder)trans-78.4127.9170.2-174.50000108.2A66 A85 I91 H108 N110 L115A66-V112 WeakPolarHBondContact CB-O 3.3Å; A85-V112 HydrophobicContact CB-CB 3.9Å; A85-V112 HydrophobicContact CB-CG1 3.63Å; I91-V112 HydrophobicContact CD1-CG1 4.17Å; I91-V112 HydrophobicContact CD1-CG2 4.45Å; I91-V112 HydrophobicContact CG1-CB 4.42Å; I91-V112 HydrophobicContact CG1-CG1 4.1Å; I91-V112 HydrophobicContact CG1-CG2 4.17Å; H108-V112 HydrophobicContact CB-CG2 3.87Å; N110-V112 PolarHBondContact O-N 2.86Å; V112-L115 HydrophobicContact CG1-CD2 4.18Å
113C93.8Very high91.3Very high11 Ų1145.5 Ų45.57%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-125.6-9.5-170.268.60000114.7A67 G127 V152 W153A67-C113 WeakPolarHBondContact CB-O 3.36Å; C113-G127 PolarHBondContact N-O 3.25Å; C113-V152 PolarHBondContact SG-O 3.42Å; C113-W153 HydrophobicContact CB-CE3 4.28Å; C113-W153 HydrophobicContact CB-CZ3 4.13Å
114C96.6Very high91.5Very high12 Ų1244 Ų448%0.08123%0.234CC..EExtended strand (participates in β ladder)trans-147155172.864.10000111.4S126 G127 V152 W153 A154C114-S126 WeakPolarHBondContact O-CA 3.46Å; C114-G127 PolarHBondContact N-O 3.39Å; C114-G127 PolarHBondContact O-N 2.89Å; C114-G127 VanDerWaalsContact O-N 3.11Å; C114-G127 WeakPolarHBondContact SG-CA 3.25Å; C114-G127 PolarHBondContact SG-N 2.92Å; C114-G127 VanDerWaalsContact SG-N 3.41Å; C114-V152 PolarHBondContact SG-O 3.35Å; C114-W153 WeakPolarHBondContact CB-O 3.43Å; C114-W153 VanDerWaalsContact SG-C 3.55Å; C114-W153 PolarHBondContact SG-O 2.99Å; C114-A154 VanDerWaalsContact SG-CA 3.59Å
115L97.5Very high91.7Very high22 Ų2240.8 Ų40.812%0.11522%0.219CC..EExtended strand (participates in β ladder)trans-141.4148-179.5-64.1174.4000109.6A67 C69 V83 A85 I91 V112 L124 A125A67-L115 HydrophobicContact CB-CD1 4.47Å; A67-L115 HydrophobicContact CB-CG 4.23Å; C69-L115 HydrophobicContact CB-CB 4.41Å; V83-L115 HydrophobicContact CB-CD1 4.33Å; V83-L115 HydrophobicContact CG1-CD1 3.89Å; A85-L115 HydrophobicContact CB-CD1 3.73Å; A85-L115 HydrophobicContact CB-CD2 4.13Å; A85-L115 HydrophobicContact CB-CG 3.86Å; I91-L115 HydrophobicContact CD1-CD2 3.93Å; I91-L115 HydrophobicContact CG1-CD2 4.23Å; I91-L115 HydrophobicContact CG2-CD1 4.36Å; I91-L115 HydrophobicContact CG2-CD2 4.13Å; V112-L115 HydrophobicContact CG1-CD2 4.18Å; L115-L124 HydrophobicContact CB-CD1 4.46Å; L115-L124 HydrophobicContact CD2-CD1 4.25Å; L115-A125 VanDerWaalsContact CA-O 3.3Å; L115-A125 WeakPolarHBondContact CA-O 3.09Å
116A96.6Very high91.9Very high17 Ų1740.1 Ų40.114%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-146.7146.3166.600000109.7L124 A125 V155A116-L124 CarbonylContact O-C 3.58Å; A116-A125 HydrophobicContact CB-CB 4.46Å; A116-A125 PolarHBondContact N-O 2.9Å; A116-A125 PolarHBondContact O-N 3.45Å; A116-V155 HydrophobicContact CB-CG2 4Å; A116-V155 WeakPolarHBondContact CB-O 3.44Å
117V94.7Very high92.1Very high27 Ų2734.7 Ų34.716%0.16419%0.19CC..EExtended strand (participates in β ladder)trans-115.7140175.6173.60000109M71 E123 L124M71-V117 HydrophobicContact CE-CG1 3.89Å; M71-V117 HydrophobicContact CE-CG2 3.84Å; M71-V117 HydrophobicContact SD-CG1 3.53Å; M71-V117 VanDerWaalsContact SD-CG1 3.53Å; M71-V117 HydrophobicContact SD-CG2 4.38Å; V117-E123 WeakPolarHBondContact CA-O 3.46Å; V117-L124 HydrophobicContact CG2-CD1 3.52Å
118S92.1Very high92.5Very high5 Ų533.4 Ų33.44%0.03518%0.176CC..  trans-83.6116.9168.1170.10000109.8E120 T121 G122 E123 L164S118-E120 PolarHBondContact O-N 2.9Å; S118-E120 PolarHBondContact OG-N 3.19Å; S118-T121 WeakPolarHBondContact CB-OG1 3.48Å; S118-T121 PolarHBondContact OG-N 3.03Å; S118-T121 VanDerWaalsContact OG-N 3.09Å; S118-T121 PolarHBondContact OG-OG1 3.18Å; S118-G122 WeakPolarHBondContact O-CA 3.34Å; S118-G122 PolarHBondContact O-N 2.82Å; S118-E123 PolarHBondContact N-O 3.43Å; S118-L164 WeakPolarHBondContact OG-CD2 3.45Å
119E85Confident92.7Very high174 Ų17436.2 Ų36.281%0.81319%0.187SC*.THydrogen-bonded Turntrans-66.9-25.7173-57.6-171.6171.500112.2P72P72-E119 HydrophobicContact CG-CB 4.37Å; P72-E119 HydrophobicContact CG-CG 3.93Å
120E85.5Confident92.7Very high122 Ų12232.8 Ų32.857%0.5717%0.168SC*.THydrogen-bonded Turntrans-77.1-38.3-178.3-176.1171.3174.500112.3S118 K159S118-E120 PolarHBondContact O-N 2.9Å; S118-E120 PolarHBondContact OG-N 3.19Å; E120-K159 VanDerWaalsContact CD-NZ 3.27Å; E120-K159 IonicContact OE1-NZ 2.71Å; E120-K159 PolarHBondContact OE1-NZ 2.7Å; E120-K159 IonicContact OE2-NZ 3.17Å; E120-K159 PolarHBondContact OE2-NZ 3.08Å
121T86.9Confident92.7Very high60 Ų6031.4 Ų31.437%0.36816%0.163SC..THydrogen-bonded Turntrans-114.6-14.9-171.658.50000114.2S118 E123 L164S118-T121 WeakPolarHBondContact CB-OG1 3.48Å; S118-T121 PolarHBondContact OG-N 3.03Å; S118-T121 VanDerWaalsContact OG-N 3.09Å; S118-T121 PolarHBondContact OG-OG1 3.18Å; T121-E123 WeakPolarHBondContact CB-OE2 3.42Å; T121-E123 PolarHBondContact O-N 3.46Å; T121-E123 WeakPolarHBondContact OG1-CB 3.28Å; T121-E123 WeakPolarHBondContact OG1-CG 3.21Å; T121-E123 PolarHBondContact OG1-N 2.82Å; T121-E123 PolarHBondContact OG1-OE2 3.48Å; T121-L164 HydrophobicContact CG2-CD2 3.81Å
122G87.6Confident92.6Very high18 Ų1829.8 Ų29.819%0.18616%0.157CC..  trans69.212-170.900000113.7M71 S118M71-G122 WeakPolarHBondContact CE-O 3.43Å; S118-G122 WeakPolarHBondContact O-CA 3.34Å; S118-G122 PolarHBondContact O-N 2.82Å
123E92Very high92.7Very high41 Ų4129.9 Ų29.919%0.19216%0.157CC..  trans-76141.7175.9-68170.8136.100110.7V117 S118 T121 V135 R137 F157V117-E123 WeakPolarHBondContact CA-O 3.46Å; S118-E123 PolarHBondContact N-O 3.43Å; T121-E123 WeakPolarHBondContact CB-OE2 3.42Å; T121-E123 PolarHBondContact O-N 3.46Å; T121-E123 WeakPolarHBondContact OG1-CB 3.28Å; T121-E123 WeakPolarHBondContact OG1-CG 3.21Å; T121-E123 PolarHBondContact OG1-N 2.82Å; T121-E123 PolarHBondContact OG1-OE2 3.48Å; E123-V135 HydrophobicContact CB-CG1 3.96Å; E123-V135 HydrophobicContact CG-CG1 4.37Å; E123-R137 HydrophobicContact CG-CG 4.46Å; E123-F157 HydrophobicContact CB-CZ 4.13Å
124L95.3Very high92.7Very high4 Ų429.7 Ų29.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-104.4128.8175.7174.673.9000109M71 V83 I91 L105 L115 A116 V117 V135 W136M71-L124 HydrophobicContact CE-CB 4.24Å; V83-L124 HydrophobicContact CG1-CD1 3.96Å; V83-L124 HydrophobicContact CG1-CD2 3.83Å; I91-L124 HydrophobicContact CD1-CD2 4.43Å; I91-L124 HydrophobicContact CG2-CD2 4.03Å; L105-L124 HydrophobicContact CD1-CD2 3.66Å; L115-L124 HydrophobicContact CB-CD1 4.46Å; L115-L124 HydrophobicContact CD2-CD1 4.25Å; A116-L124 CarbonylContact O-C 3.58Å; V117-L124 HydrophobicContact CG2-CD1 3.52Å; L124-V135 CarbonylContact O-C 3.56Å; L124-V135 WeakPolarHBondContact O-CA 3.5Å; L124-W136 HydrophobicContact CB-CB 4.28Å; L124-W136 HydrophobicContact CD2-CG 4.47Å; L124-W136 PolarHBondContact N-O 3.32Å; L124-W136 VanDerWaalsContact O-CD1 3.26Å; L124-W136 PolarHBondContact O-N 2.92Å
125A97.2Very high92.7Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-99144.6166.600000110.5L115 A116 R134 V135 V155 F157 L166L115-A125 VanDerWaalsContact CA-O 3.3Å; L115-A125 WeakPolarHBondContact CA-O 3.09Å; A116-A125 HydrophobicContact CB-CB 4.46Å; A116-A125 PolarHBondContact N-O 2.9Å; A116-A125 PolarHBondContact O-N 3.45Å; A125-R134 CarbonylContact C-O 3.58Å; A125-R134 VanDerWaalsContact CA-O 3.24Å; A125-R134 WeakPolarHBondContact CA-O 3.45Å; A125-V135 HydrophobicContact CB-CG2 4.25Å; A125-V155 HydrophobicContact CB-CB 4.09Å; A125-V155 HydrophobicContact CB-CG2 3.85Å; A125-F157 HydrophobicContact CB-CE1 4.46Å; A125-F157 HydrophobicContact CB-CE2 3.69Å; A125-F157 HydrophobicContact CB-CZ 3.64Å; A125-L166 HydrophobicContact CB-CD1 3.57Å
126S97.3Very high92.5Very high0 Ų028.8 Ų28.80%015%0.149CC..EExtended strand (participates in β ladder)trans-135.6143.617260.50000111.7H108 C114 A133 R134 W136H108-S126 PolarHBondContact CD2-OG 3.28Å; H108-S126 PolarHBondContact NE2-OG 2.97Å; C114-S126 WeakPolarHBondContact O-CA 3.46Å; S126-A133 CarbonylContact O-C 3.41Å; S126-A133 WeakPolarHBondContact O-CA 3.24Å; S126-R134 PolarHBondContact N-O 3.21Å; S126-R134 PolarHBondContact O-N 2.87Å; S126-W136 PolarHBondContact OG-NE1 3.47Å
127G96.8Very high92.1Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-120.2145171.400000111.5C113 C114 V152C113-G127 PolarHBondContact N-O 3.25Å; C114-G127 PolarHBondContact N-O 3.39Å; C114-G127 PolarHBondContact O-N 2.89Å; C114-G127 VanDerWaalsContact O-N 3.11Å; C114-G127 WeakPolarHBondContact SG-CA 3.25Å; C114-G127 PolarHBondContact SG-N 2.92Å; C114-G127 VanDerWaalsContact SG-N 3.41Å; G127-V152 CarbonylContact C-O 3.59Å
128S94.7Very high91.3Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-138.2164.4-166.9171.50000112.9H108 N110 R111 D130 C131 T132 V152H108-S128 VanDerWaalsContact CE1-CB 3.4Å; H108-S128 WeakPolarHBondContact CE1-CB 3.19Å; H108-S128 WeakPolarHBondContact ND1-CB 3.24Å; N110-S128 PolarHBondContact O-OG 3.39Å; R111-S128 WeakPolarHBondContact O-CA 3.32Å; R111-S128 PolarHBondContact O-OG 2.95Å; S128-D130 WeakPolarHBondContact CB-OD1 3.29Å; S128-D130 WeakPolarHBondContact CB-OD2 2.93Å; S128-D130 PolarHBondContact O-N 2.99Å; S128-D130 PolarHBondContact OG-N 3.12Å; S128-D130 PolarHBondContact OG-OD1 3.46Å; S128-D130 PolarHBondContact OG-OD2 3.39Å; S128-C131 PolarHBondContact O-N 3.05Å; S128-T132 PolarHBondContact N-O 3.44Å; S128-T132 VanDerWaalsContact N-O 3.15Å; S128-V152 PolarHBondContact O-N 3.35Å
129W92.9Very high90.6Very high68 Ų6838.7 Ų38.726%0.25819%0.193SC..THydrogen-bonded Turntrans-72.2-6.5174.3-71.936000113.9N110 R111 C131 T151 W153 F477N110-W129 HydrophobicContact CB-CB 3.8Å; R111-W129 HydrophobicContact CB-CD2 4.34Å; R111-W129 HydrophobicContact CB-CG 4.21Å; R111-W129 VanDerWaalsContact O-CD1 3.29Å; R111-W129 PolarHBondContact O-N 3.28Å; W129-C131 PolarHBondContact O-N 3.06Å; W129-T151 HydrophobicContact CB-CG2 4.34Å; W129-T151 HydrophobicContact CG-CG2 3.86Å; W129-W153 AromaticContact CE2-CH2 3.87Å; W129-W153 HydrophobicContact CZ2-CH2 4.05Å; W129-W153 AromaticContact NE1-CH2 3.54Å; W129-W153 AromaticContact NE1-CZ3 3.53Å; W129-F477 WeakPolarHBondContact CH2-O 3.27Å; W129-F477 HydrophobicContact CZ2-CB 4.35Å; W129-F477 WeakPolarHBondContact CZ2-O 3.37Å
130D88.5Confident90.1Very high15 Ų1534.8 Ų34.88%0.0818%0.178CC..THydrogen-bonded Turntrans-79.57.7170.85722.8000113.4H108 D109 N110 S128 T132 R528H108-D130 WeakPolarHBondContact CA-OD2 3.46Å; H108-D130 WeakPolarHBondContact CB-OD2 3.39Å; H108-D130 IonicContact CE1-OD2 3.74Å; H108-D130 IonicContact CG-OD2 3.77Å; H108-D130 IonicContact ND1-OD1 3.45Å; H108-D130 IonicContact ND1-OD2 3.83Å; H108-D130 PolarHBondContact ND1-OD2 2.96Å; D109-D130 HydrophobicContact CB-CB 4.13Å; D109-D130 PolarHBondContact N-OD2 3.48Å; N110-D130 HydrophobicContact CB-CB 4.07Å; S128-D130 WeakPolarHBondContact CB-OD1 3.29Å; S128-D130 WeakPolarHBondContact CB-OD2 2.93Å; S128-D130 PolarHBondContact O-N 2.99Å; S128-D130 PolarHBondContact OG-N 3.12Å; S128-D130 PolarHBondContact OG-OD1 3.46Å; S128-D130 PolarHBondContact OG-OD2 3.39Å; D130-T132 PolarHBondContact O-N 3.43Å; D130-T132 PolarHBondContact OD1-N 3.08Å; D130-T132 PolarHBondContact OD1-OG1 3.23Å; D130-R528 PolarHBondContact O-NH1 2.86Å
131C89.3Confident90Very high29 Ų2933.8 Ų33.820%0.19617%0.174CC..SBendtrans66.118.1-177.1-43.40000114.1S128 W129 G150S128-C131 PolarHBondContact O-N 3.05Å; W129-C131 PolarHBondContact O-N 3.06Å; C131-G150 WeakPolarHBondContact CA-O 3.14Å; C131-G150 WeakPolarHBondContact CB-O 3.39Å
132T89.8Confident90Very high1 Ų135 Ų351%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-114.6154.9175.474.90000112.2H108 S128 D130 E144 I146H108-T132 PolarHBondContact CE1-OG1 2.9Å; S128-T132 PolarHBondContact N-O 3.44Å; S128-T132 VanDerWaalsContact N-O 3.15Å; D130-T132 PolarHBondContact O-N 3.43Å; D130-T132 PolarHBondContact OD1-N 3.08Å; D130-T132 PolarHBondContact OD1-OG1 3.23Å; T132-E144 HydrophobicContact CG2-CG 4.11Å; T132-E144 PolarHBondContact OG1-OE1 3.32Å; T132-I146 HydrophobicContact CG2-CG1 4.16Å
133A95.8Very high90.2Very high1 Ų135 Ų351%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-106.5152.8158.600000109.2S126 Y145 V152 V155 L166S126-A133 CarbonylContact O-C 3.41Å; S126-A133 WeakPolarHBondContact O-CA 3.24Å; A133-Y145 PolarHBondContact N-O 2.85Å; A133-Y145 PolarHBondContact O-N 3.27Å; A133-V152 HydrophobicContact CB-CG1 4.3Å; A133-V155 HydrophobicContact CB-CG1 3.98Å; A133-L166 HydrophobicContact CB-CD2 3.85Å
134R95Very high90.1Very high8 Ų835.1 Ų35.13%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-132.1144.7173.9-69.4-175.8178.4-17011.4110.6G107 A125 S126 W136 W142 A143 E144G107-R134 VanDerWaalsContact C-CZ 3.4Å; G107-R134 PolarHBondContact O-NH1 3.18Å; G107-R134 PolarHBondContact O-NH2 2.93Å; A125-R134 CarbonylContact C-O 3.58Å; A125-R134 VanDerWaalsContact CA-O 3.24Å; A125-R134 WeakPolarHBondContact CA-O 3.45Å; S126-R134 PolarHBondContact N-O 3.21Å; S126-R134 PolarHBondContact O-N 2.87Å; R134-W136 HydrophobicContact CB-CZ2 4.23Å; R134-W142 HydrophobicContact CG-CE3 4.17Å; R134-W142 VanDerWaalsContact CZ-CH2 3.42Å; R134-W142 VanDerWaalsContact CZ-CZ3 3.49Å; R134-W142 VanDerWaalsContact NH1-CE2 3.31Å; R134-A143 CarbonylContact C-O 3.5Å; R134-A143 VanDerWaalsContact CA-O 3.23Å; R134-A143 WeakPolarHBondContact CA-O 3.47Å; R134-E144 HydrophobicContact CG-CB 4.09Å; R134-E144 HydrophobicContact CG-CG 4.19Å; R134-E144 IonicContact CZ-OE1 3.5Å; R134-E144 VanDerWaalsContact CZ-OE1 3.22Å; R134-E144 IonicContact NE-OE1 2.84Å; R134-E144 PolarHBondContact NE-OE1 2.83Å; R134-E144 IonicContact NH2-OE1 3.28Å; R134-E144 PolarHBondContact NH2-OE1 2.89Å
135V95.4Very high89.7Confident4 Ų436.5 Ų36.52%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-113.7118.5169.7175.10000108E123 L124 A125 W142 A143 Y145 F157 L166E123-V135 HydrophobicContact CB-CG1 3.96Å; E123-V135 HydrophobicContact CG-CG1 4.37Å; L124-V135 CarbonylContact O-C 3.56Å; L124-V135 WeakPolarHBondContact O-CA 3.5Å; A125-V135 HydrophobicContact CB-CG2 4.25Å; V135-W142 CarbonylContact O-C 3.53Å; V135-W142 WeakPolarHBondContact O-CA 3.4Å; V135-W142 WeakPolarHBondContact O-CB 3.47Å; V135-A143 PolarHBondContact N-O 3.29Å; V135-A143 PolarHBondContact O-N 2.77Å; V135-Y145 HydrophobicContact CB-CE2 3.77Å; V135-Y145 HydrophobicContact CG2-CD2 4.26Å; V135-Y145 HydrophobicContact CG2-CE2 3.39Å; V135-F157 HydrophobicContact CG1-CE1 4.28Å; V135-F157 HydrophobicContact CG1-CZ 4.13Å; V135-F157 HydrophobicContact CG2-CE1 4.09Å; V135-F157 HydrophobicContact CG2-CZ 4.17Å; V135-L166 HydrophobicContact CG2-CB 4.5Å; V135-L166 HydrophobicContact CG2-CD1 4.09Å; V135-L166 HydrophobicContact CG2-CD2 4.05Å; V135-L166 HydrophobicContact CG2-CG 4.45Å
136W93.7Very high89.1Confident10 Ų1037.1 Ų37.14%0.03818%0.179CC..EExtended strand (participates in β ladder)trans-96.3123-179.9-47.983.9000109.1I91 L105 L124 S126 R134 W142I91-W136 HydrophobicContact CD1-CZ2 4.14Å; L105-W136 HydrophobicContact CB-CD2 4.27Å; L105-W136 HydrophobicContact CB-CE3 3.95Å; L105-W136 HydrophobicContact CB-CH2 4.3Å; L105-W136 HydrophobicContact CB-CZ3 3.96Å; L105-W136 HydrophobicContact CD1-CB 4.03Å; L105-W136 HydrophobicContact CD1-CD2 3.87Å; L105-W136 HydrophobicContact CD1-CE3 4.1Å; L105-W136 HydrophobicContact CD1-CG 3.82Å; L105-W136 HydrophobicContact CD2-CE3 4.35Å; L105-W136 HydrophobicContact CG-CE3 4.36Å; L124-W136 HydrophobicContact CB-CB 4.28Å; L124-W136 HydrophobicContact CD2-CG 4.47Å; L124-W136 PolarHBondContact N-O 3.32Å; L124-W136 VanDerWaalsContact O-CD1 3.26Å; L124-W136 PolarHBondContact O-N 2.92Å; S126-W136 PolarHBondContact OG-NE1 3.47Å; R134-W136 HydrophobicContact CB-CZ2 4.23Å; W136-W142 HydrophobicContact CD2-CB 3.95Å; W136-W142 HydrophobicContact CD2-CG 4.46Å; W136-W142 HydrophobicContact CE3-CB 3.66Å; W136-W142 AromaticContact CE3-CD1 3.61Å; W136-W142 AromaticContact CE3-CG 3.82Å; W136-W142 HydrophobicContact CE3-CG 3.82Å; W136-W142 HydrophobicContact CG-CB 4.43Å; W136-W142 HydrophobicContact CH2-CG 4.26Å; W136-W142 HydrophobicContact CZ3-CB 4.08Å; W136-W142 AromaticContact CZ3-CD1 3.27Å; W136-W142 AromaticContact CZ3-CG 3.72Å; W136-W142 HydrophobicContact CZ3-CG 3.72Å; W136-W142 AromaticContact CZ3-NE1 3.87Å
137R88.4Confident87.9Confident109 Ų10938.2 Ų38.241%0.41119%0.19SC..  trans-89.1158.2175.7-67.6-179.8-173.61453.7110.7E123 N139 D140 E141E123-R137 HydrophobicContact CG-CG 4.46Å; R137-N139 WeakPolarHBondContact CB-OD1 3.32Å; R137-N139 PolarHBondContact O-N 2.73Å; R137-D140 PolarHBondContact O-N 3.22Å; R137-D140 VanDerWaalsContact O-N 3.16Å; R137-E141 PolarHBondContact N-O 3.42Å; R137-E141 IonicContact NH1-OE2 3.13Å; R137-E141 PolarHBondContact NH1-OE2 3.21Å
138P78.2Confident87.1Confident60 Ų6038.7 Ų38.739%0.3919%0.192SC..THydrogen-bonded Turntrans-54.9-26.5178.9-29.537000115.2Q76 D140Q76-P138 PolarHBondContact NE2-O 3.18Å; Q76-P138 VanDerWaalsContact NE2-O 3.16Å; Q76-P138 PolarHBondContact OE1-O 3.34Å; P138-D140 VanDerWaalsContact C-N 3.32Å; P138-D140 PolarHBondContact O-N 3.42Å
139N77.5Confident86.3Confident88 Ų8841.7 Ų41.747%0.47121%0.213SC..THydrogen-bonded Turntrans-86.616-178.567.8-19.1000114.6R137 E141R137-N139 WeakPolarHBondContact CB-OD1 3.32Å; R137-N139 PolarHBondContact O-N 2.73Å; N139-E141 PolarHBondContact ND2-OE2 3.16Å; N139-E141 PolarHBondContact O-N 2.78Å; N139-E141 WeakPolarHBondContact OD1-CB 3.5Å; N139-E141 PolarHBondContact OD1-N 3.21Å
140D74.3Confident85.7Confident92 Ų9238.8 Ų38.849%0.49221%0.205SC..SBendtrans69.80.2-177.2-73-55.4000116.6K103 R137 P138K103-D140 WeakPolarHBondContact CE-OD1 3.32Å; K103-D140 VanDerWaalsContact CE-OD2 3.26Å; K103-D140 WeakPolarHBondContact CE-OD2 3.35Å; K103-D140 IonicContact NZ-OD1 3.41Å; K103-D140 PolarHBondContact NZ-OD1 3.15Å; K103-D140 IonicContact NZ-OD2 3.02Å; K103-D140 PolarHBondContact NZ-OD2 2.87Å; R137-D140 PolarHBondContact O-N 3.22Å; R137-D140 VanDerWaalsContact O-N 3.16Å; P138-D140 VanDerWaalsContact C-N 3.32Å; P138-D140 PolarHBondContact O-N 3.42Å
141E84.2Confident85.9Confident102 Ų10238.8 Ų38.848%0.47721%0.205SC..  trans-74.7146.6168.7-64.7176.3170.800110R137 N139R137-E141 PolarHBondContact N-O 3.42Å; R137-E141 IonicContact NH1-OE2 3.13Å; R137-E141 PolarHBondContact NH1-OE2 3.21Å; N139-E141 PolarHBondContact ND2-OE2 3.16Å; N139-E141 PolarHBondContact O-N 2.78Å; N139-E141 WeakPolarHBondContact OD1-CB 3.5Å; N139-E141 PolarHBondContact OD1-N 3.21Å
142W86.6Confident86.2Confident84 Ų8437.4 Ų37.432%0.31820%0.196SC..EExtended strand (participates in β ladder)trans-133.2147.9168.853.1-90.3000110.7R134 V135 W136 E144R134-W142 HydrophobicContact CG-CE3 4.17Å; R134-W142 VanDerWaalsContact CZ-CH2 3.42Å; R134-W142 VanDerWaalsContact CZ-CZ3 3.49Å; R134-W142 VanDerWaalsContact NH1-CE2 3.31Å; V135-W142 CarbonylContact O-C 3.53Å; V135-W142 WeakPolarHBondContact O-CA 3.4Å; V135-W142 WeakPolarHBondContact O-CB 3.47Å; W136-W142 HydrophobicContact CD2-CB 3.95Å; W136-W142 HydrophobicContact CD2-CG 4.46Å; W136-W142 HydrophobicContact CE3-CB 3.66Å; W136-W142 AromaticContact CE3-CD1 3.61Å; W136-W142 AromaticContact CE3-CG 3.82Å; W136-W142 HydrophobicContact CE3-CG 3.82Å; W136-W142 HydrophobicContact CG-CB 4.43Å; W136-W142 HydrophobicContact CH2-CG 4.26Å; W136-W142 HydrophobicContact CZ3-CB 4.08Å; W136-W142 AromaticContact CZ3-CD1 3.27Å; W136-W142 AromaticContact CZ3-CG 3.72Å; W136-W142 HydrophobicContact CZ3-CG 3.72Å; W136-W142 AromaticContact CZ3-NE1 3.87Å; W142-E144 HydrophobicContact CE3-CB 3.87Å; W142-E144 HydrophobicContact CZ3-CB 3.5Å; W142-E144 HydrophobicContact CZ3-CG 4.41Å
143A90.3Very high86.5Confident19 Ų1938.4 Ų38.416%0.15720%0.199CC..EExtended strand (participates in β ladder)trans-104.8139.7169.700000108.7R134 V135 Y145R134-A143 CarbonylContact C-O 3.5Å; R134-A143 VanDerWaalsContact CA-O 3.23Å; R134-A143 WeakPolarHBondContact CA-O 3.47Å; V135-A143 PolarHBondContact N-O 3.29Å; V135-A143 PolarHBondContact O-N 2.77Å; A143-Y145 HydrophobicContact CB-CE2 4.09Å
144E90.1Very high86.6Confident43 Ų4338.7 Ų38.720%0.20120%0.202CC..EExtended strand (participates in β ladder)trans-110.8131.4-179.9178.1173-108.600111.7T132 R134 W142 I146 C182T132-E144 HydrophobicContact CG2-CG 4.11Å; T132-E144 PolarHBondContact OG1-OE1 3.32Å; R134-E144 HydrophobicContact CG-CB 4.09Å; R134-E144 HydrophobicContact CG-CG 4.19Å; R134-E144 IonicContact CZ-OE1 3.5Å; R134-E144 VanDerWaalsContact CZ-OE1 3.22Å; R134-E144 IonicContact NE-OE1 2.84Å; R134-E144 PolarHBondContact NE-OE1 2.83Å; R134-E144 IonicContact NH2-OE1 3.28Å; R134-E144 PolarHBondContact NH2-OE1 2.89Å; W142-E144 HydrophobicContact CE3-CB 3.87Å; W142-E144 HydrophobicContact CZ3-CB 3.5Å; W142-E144 HydrophobicContact CZ3-CG 4.41Å; E144-I146 HydrophobicContact CG-CD1 4.31Å; E144-I146 HydrophobicContact CG-CG1 3.81Å; E144-C182 WeakPolarHBondContact O-CB 3.29Å
145Y88.7Confident86.8Confident33 Ų3338.8 Ų38.813%0.12920%0.203CC..EExtended strand (participates in β ladder)trans-106.8102.8-174.9-63.1-99.2000108.2A133 V135 A143 L166 W178 C182A133-Y145 PolarHBondContact N-O 2.85Å; A133-Y145 PolarHBondContact O-N 3.27Å; V135-Y145 HydrophobicContact CB-CE2 3.77Å; V135-Y145 HydrophobicContact CG2-CD2 4.26Å; V135-Y145 HydrophobicContact CG2-CE2 3.39Å; A143-Y145 HydrophobicContact CB-CE2 4.09Å; Y145-L166 HydrophobicContact CD1-CD2 3.86Å; Y145-L166 HydrophobicContact CD2-CD2 3.6Å; Y145-L166 HydrophobicContact CE1-CB 4.23Å; Y145-L166 HydrophobicContact CE1-CD2 4.06Å; Y145-L166 HydrophobicContact CE2-CD2 3.85Å; Y145-L166 HydrophobicContact CG-CD2 3.61Å; Y145-W178 HydrophobicContact CD1-CB 3.64Å; Y145-W178 AromaticContact CD1-CD2 3.5Å; Y145-W178 HydrophobicContact CD1-CD2 3.5Å; Y145-W178 VanDerWaalsContact CD1-CD2 3.5Å; Y145-W178 AromaticContact CD1-CE3 3.71Å; Y145-W178 HydrophobicContact CD1-CE3 3.71Å; Y145-W178 AromaticContact CD1-CG 3.45Å; Y145-W178 HydrophobicContact CD1-CG 3.45Å; Y145-W178 VanDerWaalsContact CD1-CG 3.45Å; Y145-W178 HydrophobicContact CD1-CZ3 4.49Å; Y145-W178 HydrophobicContact CE1-CB 3.68Å; Y145-W178 HydrophobicContact CE1-CD2 4.44Å; Y145-W178 AromaticContact CE1-CG 4Å; Y145-W178 HydrophobicContact CE1-CG 4Å; Y145-W178 HydrophobicContact CG-CD2 4.18Å; Y145-W178 HydrophobicContact CG-CE3 4.42Å; Y145-W178 HydrophobicContact CG-CG 4.34Å; Y145-C182 HydrophobicContact CD1-CB 3.75Å; Y145-C182 HydrophobicContact CE1-CB 3.97Å; Y145-C182 HydrophobicContact CG-CB 4.19Å
146I84.2Confident86.9Confident14 Ų1439 Ų397%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-106.8121.3-176-54.6177.2000109.6T132 E144 D523 K526T132-I146 HydrophobicContact CG2-CG1 4.16Å; E144-I146 HydrophobicContact CG-CD1 4.31Å; E144-I146 HydrophobicContact CG-CG1 3.81Å; I146-D523 HydrophobicContact CD1-CB 4Å; I146-K526 HydrophobicContact CB-CD 4.05Å; I146-K526 HydrophobicContact CG2-CB 4.49Å; I146-K526 HydrophobicContact CG2-CD 3.83Å; I146-K526 PolarHBondContact O-NZ 3.03Å
147G71.3Confident86.9Confident23 Ų2340 Ų4024%0.23721%0.211CC..  trans-179.9-32.5175.200000113.7
148H79.6Confident87.2Confident9 Ų934.9 Ų34.94%0.04219%0.191CC..  trans-65.8143.2177.3-78.5-60.4000111.9V152 S168 S170 D172 L174 F176H148-V152 HydrophobicContact CB-CG2 4.14Å; H148-S168 PolarHBondContact CD2-OG 2.74Å; H148-S168 VanDerWaalsContact CD2-OG 3.25Å; H148-S168 PolarHBondContact NE2-O 3.39Å; H148-S168 PolarHBondContact NE2-OG 2.99Å; H148-S170 VanDerWaalsContact CE1-CB 3.49Å; H148-S170 WeakPolarHBondContact CE1-CB 3.4Å; H148-S170 VanDerWaalsContact CG-CB 3.41Å; H148-S170 WeakPolarHBondContact ND1-CB 3.21Å; H148-D172 WeakPolarHBondContact CA-OD2 3.32Å; H148-D172 WeakPolarHBondContact CB-OD2 3.15Å; H148-D172 IonicContact CE1-OD1 2.84Å; H148-D172 IonicContact CG-OD2 3.87Å; H148-D172 VanDerWaalsContact ND1-CG 3.35Å; H148-D172 IonicContact ND1-OD1 2.86Å; H148-D172 PolarHBondContact ND1-OD1 2.67Å; H148-D172 VanDerWaalsContact ND1-OD1 3.15Å; H148-D172 IonicContact ND1-OD2 3.19Å; H148-D172 PolarHBondContact ND1-OD2 2.77Å; H148-L174 PolarHBondContact CE1-O 2.72Å; H148-F176 AromaticContact CD2-CD2 3.91Å; H148-F176 AromaticContact CE1-CD2 3.5Å; H148-F176 AromaticContact CE1-CE2 3.8Å; H148-F176 AromaticContact CE1-CG 3.91Å; H148-F176 AromaticContact ND1-CD2 3.78Å; H148-F176 AromaticContact ND1-CE2 3.64Å; H148-F176 AromaticContact NE2-CD2 3.59Å
149S79.2Confident87.9Confident63 Ų6336 Ų3644%0.44119%0.19SC..SBendtrans-96.7-3.1179.165.50000113.7D172S149-D172 PolarHBondContact N-OD2 2.63Å; S149-D172 WeakPolarHBondContact OG-CB 3.49Å
150G80.2Confident88.4Confident8 Ų831.9 Ų31.98%0.08217%0.168CC..SBendtrans-140.5-179.8172.300000112C131 V152 S170C131-G150 WeakPolarHBondContact CA-O 3.14Å; C131-G150 WeakPolarHBondContact CB-O 3.39Å; G150-V152 PolarHBondContact O-N 3.42Å; G150-S170 VanDerWaalsContact C-OG 3.24Å; G150-S170 PolarHBondContact O-OG 3.23Å
151T91.2Very high89Confident14 Ų1433.6 Ų33.69%0.08617%0.173CC..  trans-49.4135.3-179.8-58.10000112.9W129 W153 S170 A171W129-T151 HydrophobicContact CB-CG2 4.34Å; W129-T151 HydrophobicContact CG-CG2 3.86Å; T151-W153 HydrophobicContact CG2-CD2 3.78Å; T151-W153 HydrophobicContact CG2-CE3 4.01Å; T151-W153 HydrophobicContact CG2-CG 4.38Å; T151-W153 HydrophobicContact CG2-CH2 3.9Å; T151-W153 HydrophobicContact CG2-CZ2 3.68Å; T151-W153 HydrophobicContact CG2-CZ3 4.07Å; T151-W153 PolarHBondContact O-N 2.82Å; T151-S170 CarbonylContact O-C 3.54Å; T151-S170 WeakPolarHBondContact O-CA 3.32Å; T151-S170 VanDerWaalsContact O-CB 3.3Å; T151-S170 WeakPolarHBondContact O-CB 3.36Å; T151-S170 PolarHBondContact O-OG 3.49Å; T151-A171 PolarHBondContact O-N 3.37Å
152V96.3Very high89.2Confident0 Ų031.6 Ų31.60%018%0.18CC..EExtended strand (participates in β ladder)trans-87.2102.3174.4-177.40000109.5C113 C114 G127 S128 A133 H148 G150 V155 A169C113-V152 PolarHBondContact SG-O 3.42Å; C114-V152 PolarHBondContact SG-O 3.35Å; G127-V152 CarbonylContact C-O 3.59Å; S128-V152 PolarHBondContact O-N 3.35Å; A133-V152 HydrophobicContact CB-CG1 4.3Å; H148-V152 HydrophobicContact CB-CG2 4.14Å; G150-V152 PolarHBondContact O-N 3.42Å; V152-V155 HydrophobicContact CG1-CG1 3.93Å; V152-A169 CarbonylContact C-O 3.54Å
153W96.9Very high89.3Confident22 Ų2232.4 Ų32.48%0.08319%0.186CC..EExtended strand (participates in β ladder)trans-85.9-23.8-174.4-69.8118.9000114.5C113 C114 W129 T151 A169 V195 F477C113-W153 HydrophobicContact CB-CE3 4.28Å; C113-W153 HydrophobicContact CB-CZ3 4.13Å; C114-W153 WeakPolarHBondContact CB-O 3.43Å; C114-W153 VanDerWaalsContact SG-C 3.55Å; C114-W153 PolarHBondContact SG-O 2.99Å; W129-W153 AromaticContact CE2-CH2 3.87Å; W129-W153 HydrophobicContact CZ2-CH2 4.05Å; W129-W153 AromaticContact NE1-CH2 3.54Å; W129-W153 AromaticContact NE1-CZ3 3.53Å; T151-W153 HydrophobicContact CG2-CD2 3.78Å; T151-W153 HydrophobicContact CG2-CE3 4.01Å; T151-W153 HydrophobicContact CG2-CG 4.38Å; T151-W153 HydrophobicContact CG2-CH2 3.9Å; T151-W153 HydrophobicContact CG2-CZ2 3.68Å; T151-W153 HydrophobicContact CG2-CZ3 4.07Å; T151-W153 PolarHBondContact O-N 2.82Å; W153-A169 PolarHBondContact N-O 2.8Å; W153-V195 VanDerWaalsContact CB-O 3.31Å; W153-V195 WeakPolarHBondContact CB-O 3.47Å; W153-F477 HydrophobicContact CH2-CB 3.74Å; W153-F477 HydrophobicContact CH2-CD1 4.37Å; W153-F477 HydrophobicContact CH2-CG 4.29Å; W153-F477 HydrophobicContact CZ3-CB 4.08Å; W153-F477 AromaticContact CZ3-CD1 3.87Å; W153-F477 HydrophobicContact CZ3-CD1 3.87Å; W153-F477 HydrophobicContact CZ3-CE1 4.46Å; W153-F477 HydrophobicContact CZ3-CG 4.11Å
154A97.8Very high89.5Confident7 Ų734 Ų346%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-142.9146.6176.700000111.5C114 S168 A169 L198C114-A154 VanDerWaalsContact SG-CA 3.59Å; A154-S168 CarbonylContact O-C 3.5Å; A154-S168 WeakPolarHBondContact O-CA 3.38Å; A154-A169 HydrophobicContact CB-CB 4.22Å; A154-A169 PolarHBondContact N-O 3.01Å; A154-A169 PolarHBondContact O-N 2.66Å; A154-L198 HydrophobicContact CB-CB 4.08Å; A154-L198 HydrophobicContact CB-CD1 4.04Å; A154-L198 HydrophobicContact CB-CG 3.88Å
155V98.2Very high89.6Confident10 Ų1032.8 Ų32.86%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-133.7149171.6-690000109A116 A125 A133 V152 L166 L167A116-V155 HydrophobicContact CB-CG2 4Å; A116-V155 WeakPolarHBondContact CB-O 3.44Å; A125-V155 HydrophobicContact CB-CB 4.09Å; A125-V155 HydrophobicContact CB-CG2 3.85Å; A133-V155 HydrophobicContact CB-CG1 3.98Å; V152-V155 HydrophobicContact CG1-CG1 3.93Å; V155-L166 HydrophobicContact CB-CD1 4.19Å; V155-L166 HydrophobicContact CG1-CD1 4.46Å; V155-L167 CarbonylContact C-O 3.51Å; V155-L167 VanDerWaalsContact CA-O 3.24Å; V155-L167 WeakPolarHBondContact CA-O 3.22Å
156A97.1Very high89.9Confident10 Ų1031.3 Ų31.38%0.08318%0.179CC..EExtended strand (participates in β ladder)trans-153.5160173.500000110.1L167 L198 V200A156-L167 HydrophobicContact CB-CB 4.4Å; A156-L167 PolarHBondContact N-O 2.68Å; A156-L167 PolarHBondContact O-N 3.42Å; A156-L198 HydrophobicContact CB-CB 4.19Å; A156-V200 HydrophobicContact CB-CG2 3.88Å
157F95.6Very high90.5Very high30 Ų3030.7 Ų30.713%0.13218%0.176CC..EExtended strand (participates in β ladder)trans-101.9133.9171.5-69.4-78.1000110.6E123 A125 V135 L164 R165 L166 V200E123-F157 HydrophobicContact CB-CZ 4.13Å; A125-F157 HydrophobicContact CB-CE1 4.46Å; A125-F157 HydrophobicContact CB-CE2 3.69Å; A125-F157 HydrophobicContact CB-CZ 3.64Å; V135-F157 HydrophobicContact CG1-CE1 4.28Å; V135-F157 HydrophobicContact CG1-CZ 4.13Å; V135-F157 HydrophobicContact CG2-CE1 4.09Å; V135-F157 HydrophobicContact CG2-CZ 4.17Å; F157-L164 HydrophobicContact CB-CD1 3.91Å; F157-L164 HydrophobicContact CB-CD2 4.44Å; F157-L164 HydrophobicContact CB-CG 4.21Å; F157-L164 HydrophobicContact CD1-CD2 3.95Å; F157-L164 HydrophobicContact CD1-CG 4.08Å; F157-L164 HydrophobicContact CE1-CD2 4.48Å; F157-L164 HydrophobicContact CG-CD2 4.31Å; F157-L164 HydrophobicContact CG-CG 4.47Å; F157-R165 WeakPolarHBondContact CA-O 3.35Å; F157-L166 HydrophobicContact CE1-CD1 4.38Å; F157-V200 WeakPolarHBondContact O-CG2 3.49Å
158L93.8Very high91.8Very high1 Ų129.6 Ų29.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-126.7132.7178.9178.974.5000109.8F160 R165 L167 L177 V200 S202 S203 A220L158-F160 HydrophobicContact CD2-CB 4.24Å; L158-F160 HydrophobicContact CG-CB 4.48Å; L158-F160 PolarHBondContact O-N 3.43Å; L158-R165 PolarHBondContact N-O 2.97Å; L158-R165 PolarHBondContact O-N 3.27Å; L158-L167 HydrophobicContact CB-CD1 3.79Å; L158-L167 HydrophobicContact CB-CG 4.1Å; L158-L167 HydrophobicContact CD2-CD1 4.12Å; L158-L167 HydrophobicContact CD2-CG 4.48Å; L158-L167 HydrophobicContact CG-CD1 4.41Å; L158-L177 HydrophobicContact CD2-CD1 4.08Å; L158-V200 HydrophobicContact CB-CG2 4.37Å; L158-V200 HydrophobicContact CD1-CG1 3.55Å; L158-V200 HydrophobicContact CD1-CG2 4.26Å; L158-S202 VanDerWaalsContact CD1-O 3.31Å; L158-S202 WeakPolarHBondContact CD1-O 3.26Å; L158-S203 WeakPolarHBondContact CD1-O 3.33Å; L158-A220 HydrophobicContact CD2-CB 3.57Å
159K92.5Very high92.6Very high83 Ų8329.1 Ų29.136%0.36116%0.162SC..EExtended strand (participates in β ladder)trans-85.388.3174.6-169.1169-162.8141.30111.4E120 K163 S203E120-K159 VanDerWaalsContact CD-NZ 3.27Å; E120-K159 IonicContact OE1-NZ 2.71Å; E120-K159 PolarHBondContact OE1-NZ 2.7Å; E120-K159 IonicContact OE2-NZ 3.17Å; E120-K159 PolarHBondContact OE2-NZ 3.08Å; K159-K163 CarbonylContact C-O 3.46Å; K159-K163 WeakPolarHBondContact CA-O 3.18Å; K159-S203 CarbonylContact C-O 3.58Å; K159-S203 CarbonylContact O-C 3.56Å; K159-S203 WeakPolarHBondContact O-CB 3.48Å
160F89.2Confident93.2Very high2 Ų226.1 Ų26.11%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-107.3132.8-177.3-173-102.6000111.2L158 G162 K163 L177 L185 A220 D221L158-F160 HydrophobicContact CD2-CB 4.24Å; L158-F160 HydrophobicContact CG-CB 4.48Å; L158-F160 PolarHBondContact O-N 3.43Å; F160-G162 PolarHBondContact O-N 3.32Å; F160-K163 PolarHBondContact N-O 3.48Å; F160-K163 PolarHBondContact O-N 2.96Å; F160-L177 HydrophobicContact CB-CD2 4.31Å; F160-L177 HydrophobicContact CD1-CD2 3.83Å; F160-L177 HydrophobicContact CD2-CD2 4.22Å; F160-L177 HydrophobicContact CE1-CD2 4.19Å; F160-L177 HydrophobicContact CG-CD2 3.85Å; F160-L185 HydrophobicContact CD1-CD2 3.8Å; F160-L185 HydrophobicContact CE1-CD2 3.77Å; F160-A220 HydrophobicContact CD2-CB 3.52Å; F160-A220 HydrophobicContact CE2-CB 3.65Å; F160-D221 WeakPolarHBondContact CE2-OD1 3.03Å; F160-D221 WeakPolarHBondContact CZ-OD1 3.39Å
161E86.8Confident93.8Very high129 Ų12926.4 Ų26.460%0.60314%0.143SC*.THydrogen-bonded Turntrans53.833.7-174.9-62.3167.9160.200113.3K163 R165E161-K163 PolarHBondContact O-N 2.9Å; E161-R165 IonicContact OE2-NH2 2.78Å; E161-R165 PolarHBondContact OE2-NH2 3.1Å
162G86.8Confident93.4Very high60 Ų6027 Ų2762%0.61915%0.146SC*.THydrogen-bonded Turntrans74.7-4.5-177.800000115F160F160-G162 PolarHBondContact O-N 3.32Å
163K90.6Very high93.2Very high101 Ų10131.3 Ų31.344%0.43916%0.164SC..EExtended strand (participates in β ladder)trans-102.1143.5175.5-65.8-176.9178-176.60110.8K159 F160 E161 R165 D180K159-K163 CarbonylContact C-O 3.46Å; K159-K163 WeakPolarHBondContact CA-O 3.18Å; F160-K163 PolarHBondContact N-O 3.48Å; F160-K163 PolarHBondContact O-N 2.96Å; E161-K163 PolarHBondContact O-N 2.9Å; K163-R165 HydrophobicContact CB-CG 4.49Å; K163-D180 IonicContact NZ-OD1 3.73Å; K163-D180 PolarHBondContact NZ-OD1 2.96Å; K163-D180 IonicContact NZ-OD2 2.59Å; K163-D180 PolarHBondContact NZ-OD2 2.89Å
164L92.5Very high92.8Very high51 Ų5132 Ų3227%0.26717%0.17SC..EExtended strand (participates in β ladder)trans-74126.8169-166.275.5000109.3S118 T121 F157S118-L164 WeakPolarHBondContact OG-CD2 3.45Å; T121-L164 HydrophobicContact CG2-CD2 3.81Å; F157-L164 HydrophobicContact CB-CD1 3.91Å; F157-L164 HydrophobicContact CB-CD2 4.44Å; F157-L164 HydrophobicContact CB-CG 4.21Å; F157-L164 HydrophobicContact CD1-CD2 3.95Å; F157-L164 HydrophobicContact CD1-CG 4.08Å; F157-L164 HydrophobicContact CE1-CD2 4.48Å; F157-L164 HydrophobicContact CG-CD2 4.31Å; F157-L164 HydrophobicContact CG-CG 4.47Å
165R92.8Very high92.7Very high18 Ų1831.8 Ų31.87%0.06817%0.167CC..EExtended strand (participates in β ladder)trans-130.6152.4-177.2-64.7-168.3-173.7-82.314.3110.7F157 L158 E161 K163 L177 W178 G179 D180F157-R165 WeakPolarHBondContact CA-O 3.35Å; L158-R165 PolarHBondContact N-O 2.97Å; L158-R165 PolarHBondContact O-N 3.27Å; E161-R165 IonicContact OE2-NH2 2.78Å; E161-R165 PolarHBondContact OE2-NH2 3.1Å; K163-R165 HydrophobicContact CB-CG 4.49Å; R165-L177 HydrophobicContact CB-CD1 3.78Å; R165-W178 WeakPolarHBondContact CB-O 3.28Å; R165-W178 WeakPolarHBondContact CD-O 3.32Å; R165-G179 VanDerWaalsContact NH1-CA 3.35Å; R165-D180 IonicContact CZ-OD1 3.91Å; R165-D180 IonicContact NH1-OD1 3.44Å; R165-D180 PolarHBondContact NH1-OD1 3.23Å; R165-D180 IonicContact NH2-OD1 3.73Å
166L96Very high92.4Very high3 Ų332.2 Ų32.22%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-81.7137.3174.9-176.770.3000110A125 A133 V135 Y145 V155 F157 W178A125-L166 HydrophobicContact CB-CD1 3.57Å; A133-L166 HydrophobicContact CB-CD2 3.85Å; V135-L166 HydrophobicContact CG2-CB 4.5Å; V135-L166 HydrophobicContact CG2-CD1 4.09Å; V135-L166 HydrophobicContact CG2-CD2 4.05Å; V135-L166 HydrophobicContact CG2-CG 4.45Å; Y145-L166 HydrophobicContact CD1-CD2 3.86Å; Y145-L166 HydrophobicContact CD2-CD2 3.6Å; Y145-L166 HydrophobicContact CE1-CB 4.23Å; Y145-L166 HydrophobicContact CE1-CD2 4.06Å; Y145-L166 HydrophobicContact CE2-CD2 3.85Å; Y145-L166 HydrophobicContact CG-CD2 3.61Å; V155-L166 HydrophobicContact CB-CD1 4.19Å; V155-L166 HydrophobicContact CG1-CD1 4.46Å; F157-L166 HydrophobicContact CE1-CD1 4.38Å; L166-W178 HydrophobicContact CB-CB 4.2Å; L166-W178 HydrophobicContact CB-CG 4.32Å; L166-W178 HydrophobicContact CD2-CG 4.43Å; L166-W178 VanDerWaalsContact O-CD1 3.27Å; L166-W178 PolarHBondContact O-N 3Å
167L96.9Very high92.1Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-105138.8158.6-76.1169000108.6V155 A156 L158 I175 F176 L177 Y188 L198 V200 F206V155-L167 CarbonylContact C-O 3.51Å; V155-L167 VanDerWaalsContact CA-O 3.24Å; V155-L167 WeakPolarHBondContact CA-O 3.22Å; A156-L167 HydrophobicContact CB-CB 4.4Å; A156-L167 PolarHBondContact N-O 2.68Å; A156-L167 PolarHBondContact O-N 3.42Å; L158-L167 HydrophobicContact CB-CD1 3.79Å; L158-L167 HydrophobicContact CB-CG 4.1Å; L158-L167 HydrophobicContact CD2-CD1 4.12Å; L158-L167 HydrophobicContact CD2-CG 4.48Å; L158-L167 HydrophobicContact CG-CD1 4.41Å; L167-I175 HydrophobicContact CD2-CG2 4.28Å; L167-F176 CarbonylContact C-O 3.55Å; L167-F176 VanDerWaalsContact CA-O 3.27Å; L167-F176 WeakPolarHBondContact CA-O 3.2Å; L167-L177 HydrophobicContact CD2-CB 3.84Å; L167-L177 HydrophobicContact CD2-CD1 3.84Å; L167-L177 HydrophobicContact CD2-CG 4.44Å; L167-L177 HydrophobicContact CG-CD1 4.14Å; L167-Y188 HydrophobicContact CD2-CE2 4.11Å; L167-L198 HydrophobicContact CB-CD1 4.03Å; L167-V200 HydrophobicContact CD1-CG2 3.92Å; L167-F206 HydrophobicContact CD1-CB 4.2Å; L167-F206 HydrophobicContact CD1-CD1 3.91Å; L167-F206 HydrophobicContact CD1-CD2 4.26Å; L167-F206 HydrophobicContact CD1-CE1 4.34Å; L167-F206 HydrophobicContact CD1-CG 3.87Å; L167-F206 HydrophobicContact CD2-CE1 4.26Å; L167-F206 HydrophobicContact CD2-CZ 4.3Å
168S97.4Very high91.8Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-133.2145.6169.963.70000110.9H148 A154 I175 F176 W178H148-S168 PolarHBondContact CD2-OG 2.74Å; H148-S168 VanDerWaalsContact CD2-OG 3.25Å; H148-S168 PolarHBondContact NE2-O 3.39Å; H148-S168 PolarHBondContact NE2-OG 2.99Å; A154-S168 CarbonylContact O-C 3.5Å; A154-S168 WeakPolarHBondContact O-CA 3.38Å; S168-I175 CarbonylContact O-C 3.6Å; S168-I175 WeakPolarHBondContact O-CA 3.32Å; S168-I175 WeakPolarHBondContact O-CG2 3.29Å; S168-F176 PolarHBondContact N-O 3.16Å; S168-F176 PolarHBondContact O-N 3.02Å; S168-W178 PolarHBondContact OG-NE1 3.28Å
169A97.2Very high91.3Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-132143.3177.700000110.6V152 W153 A154 L174 I175 V195 L198V152-A169 CarbonylContact C-O 3.54Å; W153-A169 PolarHBondContact N-O 2.8Å; A154-A169 HydrophobicContact CB-CB 4.22Å; A154-A169 PolarHBondContact N-O 3.01Å; A154-A169 PolarHBondContact O-N 2.66Å; A169-L174 WeakPolarHBondContact CA-O 3.44Å; A169-I175 HydrophobicContact CB-CG1 3.9Å; A169-I175 HydrophobicContact CB-CG2 4.48Å; A169-V195 HydrophobicContact CB-CB 3.81Å; A169-V195 HydrophobicContact CB-CG1 3.57Å; A169-L198 HydrophobicContact CB-CD1 3.75Å; A169-L198 HydrophobicContact CB-CD2 4.18Å; A169-L198 HydrophobicContact CB-CG 3.84Å
170S92.5Very high90.6Very high0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5165.9-163.4171.60000114.6H148 G150 T151 D172 K173 L174 V195H148-S170 VanDerWaalsContact CE1-CB 3.49Å; H148-S170 WeakPolarHBondContact CE1-CB 3.4Å; H148-S170 VanDerWaalsContact CG-CB 3.41Å; H148-S170 WeakPolarHBondContact ND1-CB 3.21Å; G150-S170 VanDerWaalsContact C-OG 3.24Å; G150-S170 PolarHBondContact O-OG 3.23Å; T151-S170 CarbonylContact O-C 3.54Å; T151-S170 WeakPolarHBondContact O-CA 3.32Å; T151-S170 VanDerWaalsContact O-CB 3.3Å; T151-S170 WeakPolarHBondContact O-CB 3.36Å; T151-S170 PolarHBondContact O-OG 3.49Å; S170-D172 VanDerWaalsContact CB-OD1 3.23Å; S170-D172 WeakPolarHBondContact CB-OD1 3.19Å; S170-D172 PolarHBondContact O-N 2.81Å; S170-D172 PolarHBondContact OG-N 3.39Å; S170-D172 PolarHBondContact OG-OD1 2.98Å; S170-K173 PolarHBondContact O-N 3.48Å; S170-K173 VanDerWaalsContact O-N 3.16Å; S170-L174 PolarHBondContact N-O 2.75Å; S170-L174 VanDerWaalsContact N-O 3.15Å; S170-V195 PolarHBondContact O-N 3.45Å
171A91.9Very high90.1Very high14 Ų1438.4 Ų38.412%0.11621%0.209CC..THydrogen-bonded Turntrans-57.3-22.7166.800000113T151 K173T151-A171 PolarHBondContact O-N 3.37Å; A171-K173 PolarHBondContact O-N 2.95Å; A171-K173 VanDerWaalsContact O-N 3.13Å
172D83.5Confident89.7Confident27 Ų2733.5 Ų33.514%0.14419%0.189CC..THydrogen-bonded Turntrans-746.5174.969.612.5000114.4H148 S149 S170 L174H148-D172 WeakPolarHBondContact CA-OD2 3.32Å; H148-D172 WeakPolarHBondContact CB-OD2 3.15Å; H148-D172 IonicContact CE1-OD1 2.84Å; H148-D172 IonicContact CG-OD2 3.87Å; H148-D172 VanDerWaalsContact ND1-CG 3.35Å; H148-D172 IonicContact ND1-OD1 2.86Å; H148-D172 PolarHBondContact ND1-OD1 2.67Å; H148-D172 VanDerWaalsContact ND1-OD1 3.15Å; H148-D172 IonicContact ND1-OD2 3.19Å; H148-D172 PolarHBondContact ND1-OD2 2.77Å; S149-D172 PolarHBondContact N-OD2 2.63Å; S149-D172 WeakPolarHBondContact OG-CB 3.49Å; S170-D172 VanDerWaalsContact CB-OD1 3.23Å; S170-D172 WeakPolarHBondContact CB-OD1 3.19Å; S170-D172 PolarHBondContact O-N 2.81Å; S170-D172 PolarHBondContact OG-N 3.39Å; S170-D172 PolarHBondContact OG-OD1 2.98Å; D172-L174 PolarHBondContact O-N 3.29Å; D172-L174 VanDerWaalsContact OD1-CB 3.3Å; D172-L174 WeakPolarHBondContact OD1-CB 3.4Å; D172-L174 PolarHBondContact OD1-N 2.81Å
173K91.5Very high89Confident90 Ų9033.8 Ų33.839%0.39118%0.18SC..SBendtrans73.41.2176.8-41.9171.5-178.2-162.60113.8S170 A171 T192S170-K173 PolarHBondContact O-N 3.48Å; S170-K173 VanDerWaalsContact O-N 3.16Å; A171-K173 PolarHBondContact O-N 2.95Å; A171-K173 VanDerWaalsContact O-N 3.13Å; K173-T192 WeakPolarHBondContact CD-O 3.28Å; K173-T192 VanDerWaalsContact CE-O 3.31Å; K173-T192 WeakPolarHBondContact CE-O 3.23Å; K173-T192 PolarHBondContact NZ-O 2.97Å
174L89.1Confident88.5Confident37 Ų3730.5 Ų30.519%0.19417%0.169CC..  trans-98.8155.7-178.6-57.1177.3000111.2H148 A169 S170 D172 F176 H189H148-L174 PolarHBondContact CE1-O 2.72Å; A169-L174 WeakPolarHBondContact CA-O 3.44Å; S170-L174 PolarHBondContact N-O 2.75Å; S170-L174 VanDerWaalsContact N-O 3.15Å; D172-L174 PolarHBondContact O-N 3.29Å; D172-L174 VanDerWaalsContact OD1-CB 3.3Å; D172-L174 WeakPolarHBondContact OD1-CB 3.4Å; D172-L174 PolarHBondContact OD1-N 2.81Å; L174-F176 HydrophobicContact CB-CE1 4.1Å; L174-F176 HydrophobicContact CB-CZ 4.41Å; L174-F176 HydrophobicContact CD1-CE1 3.87Å; L174-F176 HydrophobicContact CD1-CZ 3.83Å; L174-H189 WeakPolarHBondContact CD2-CE1 3.32Å; L174-H189 WeakPolarHBondContact CD2-ND1 3.21Å
175I95.4Very high88Confident1 Ų131.4 Ų31.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-119.2131.2164.8-52.8167.1000106.5L167 S168 A169 S187 Y188 V195 L198 F206 W218L167-I175 HydrophobicContact CD2-CG2 4.28Å; S168-I175 CarbonylContact O-C 3.6Å; S168-I175 WeakPolarHBondContact O-CA 3.32Å; S168-I175 WeakPolarHBondContact O-CG2 3.29Å; A169-I175 HydrophobicContact CB-CG1 3.9Å; A169-I175 HydrophobicContact CB-CG2 4.48Å; I175-S187 WeakPolarHBondContact O-CA 3.41Å; I175-Y188 HydrophobicContact CB-CD2 3.95Å; I175-Y188 HydrophobicContact CB-CG 4.49Å; I175-Y188 HydrophobicContact CG2-CD2 3.92Å; I175-Y188 PolarHBondContact N-O 2.76Å; I175-Y188 WeakPolarHBondContact O-CD2 3.48Å; I175-Y188 PolarHBondContact O-N 2.85Å; I175-V195 HydrophobicContact CD1-CG1 4.1Å; I175-V195 HydrophobicContact CG1-CB 4.49Å; I175-V195 HydrophobicContact CG1-CG1 4.06Å; I175-V195 HydrophobicContact CG1-CG2 4.26Å; I175-L198 HydrophobicContact CD1-CD2 4.14Å; I175-L198 HydrophobicContact CG2-CD2 4.09Å; I175-F206 HydrophobicContact CD1-CE2 4.05Å; I175-F206 HydrophobicContact CG2-CE2 4.09Å; I175-F206 HydrophobicContact CG2-CZ 4.38Å; I175-W218 HydrophobicContact CD1-CZ2 4.31Å
176F91.2Very high87.7Confident20 Ų2034.7 Ų34.79%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-109135.9172.8-66.9-29.6000110.8H148 L167 S168 L174 W178 P184 R186 S187H148-F176 AromaticContact CD2-CD2 3.91Å; H148-F176 AromaticContact CE1-CD2 3.5Å; H148-F176 AromaticContact CE1-CE2 3.8Å; H148-F176 AromaticContact CE1-CG 3.91Å; H148-F176 AromaticContact ND1-CD2 3.78Å; H148-F176 AromaticContact ND1-CE2 3.64Å; H148-F176 AromaticContact NE2-CD2 3.59Å; L167-F176 CarbonylContact C-O 3.55Å; L167-F176 VanDerWaalsContact CA-O 3.27Å; L167-F176 WeakPolarHBondContact CA-O 3.2Å; S168-F176 PolarHBondContact N-O 3.16Å; S168-F176 PolarHBondContact O-N 3.02Å; L174-F176 HydrophobicContact CB-CE1 4.1Å; L174-F176 HydrophobicContact CB-CZ 4.41Å; L174-F176 HydrophobicContact CD1-CE1 3.87Å; L174-F176 HydrophobicContact CD1-CZ 3.83Å; F176-W178 HydrophobicContact CB-CD2 4.45Å; F176-W178 HydrophobicContact CB-CZ2 4.05Å; F176-W178 AromaticContact CD2-CH2 3.98Å; F176-W178 HydrophobicContact CD2-CH2 3.98Å; F176-W178 AromaticContact CD2-CZ2 3.63Å; F176-W178 HydrophobicContact CD2-CZ2 3.63Å; F176-W178 HydrophobicContact CG-CZ2 4.32Å; F176-P184 HydrophobicContact CG-CB 4.43Å; F176-R186 WeakPolarHBondContact CA-O 3.49Å; F176-S187 VanDerWaalsContact CE1-CB 3.48Å
177L91.4Very high87.2Confident0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-96.7123.3159175.264.8000107L158 F160 R165 L167 L185 R186 Y188L158-L177 HydrophobicContact CD2-CD1 4.08Å; F160-L177 HydrophobicContact CB-CD2 4.31Å; F160-L177 HydrophobicContact CD1-CD2 3.83Å; F160-L177 HydrophobicContact CD2-CD2 4.22Å; F160-L177 HydrophobicContact CE1-CD2 4.19Å; F160-L177 HydrophobicContact CG-CD2 3.85Å; R165-L177 HydrophobicContact CB-CD1 3.78Å; L167-L177 HydrophobicContact CD2-CB 3.84Å; L167-L177 HydrophobicContact CD2-CD1 3.84Å; L167-L177 HydrophobicContact CD2-CG 4.44Å; L167-L177 HydrophobicContact CG-CD1 4.14Å; L177-L185 HydrophobicContact CD2-CD2 4.11Å; L177-L185 HydrophobicContact CG-CD2 4.43Å; L177-L185 WeakPolarHBondContact O-CA 3.44Å; L177-L185 WeakPolarHBondContact O-CB 3.27Å; L177-L185 PolarHBondContact O-N 2.9Å; L177-R186 HydrophobicContact CB-CB 4.28Å; L177-R186 PolarHBondContact N-O 2.85Å; L177-R186 PolarHBondContact O-N 2.87Å; L177-R186 VanDerWaalsContact O-N 3.13Å; L177-Y188 HydrophobicContact CB-CE2 3.87Å
178W88Confident86.7Confident1 Ų135.6 Ų35.60%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-92.5133.3-176-60.391.2000111.5Y145 R165 L166 S168 F176 C182 P184Y145-W178 HydrophobicContact CD1-CB 3.64Å; Y145-W178 AromaticContact CD1-CD2 3.5Å; Y145-W178 HydrophobicContact CD1-CD2 3.5Å; Y145-W178 VanDerWaalsContact CD1-CD2 3.5Å; Y145-W178 AromaticContact CD1-CE3 3.71Å; Y145-W178 HydrophobicContact CD1-CE3 3.71Å; Y145-W178 AromaticContact CD1-CG 3.45Å; Y145-W178 HydrophobicContact CD1-CG 3.45Å; Y145-W178 VanDerWaalsContact CD1-CG 3.45Å; Y145-W178 HydrophobicContact CD1-CZ3 4.49Å; Y145-W178 HydrophobicContact CE1-CB 3.68Å; Y145-W178 HydrophobicContact CE1-CD2 4.44Å; Y145-W178 AromaticContact CE1-CG 4Å; Y145-W178 HydrophobicContact CE1-CG 4Å; Y145-W178 HydrophobicContact CG-CD2 4.18Å; Y145-W178 HydrophobicContact CG-CE3 4.42Å; Y145-W178 HydrophobicContact CG-CG 4.34Å; R165-W178 WeakPolarHBondContact CB-O 3.28Å; R165-W178 WeakPolarHBondContact CD-O 3.32Å; L166-W178 HydrophobicContact CB-CB 4.2Å; L166-W178 HydrophobicContact CB-CG 4.32Å; L166-W178 HydrophobicContact CD2-CG 4.43Å; L166-W178 VanDerWaalsContact O-CD1 3.27Å; L166-W178 PolarHBondContact O-N 3Å; S168-W178 PolarHBondContact OG-NE1 3.28Å; F176-W178 HydrophobicContact CB-CD2 4.45Å; F176-W178 HydrophobicContact CB-CZ2 4.05Å; F176-W178 AromaticContact CD2-CH2 3.98Å; F176-W178 HydrophobicContact CD2-CH2 3.98Å; F176-W178 AromaticContact CD2-CZ2 3.63Å; F176-W178 HydrophobicContact CD2-CZ2 3.63Å; F176-W178 HydrophobicContact CG-CZ2 4.32Å; W178-C182 WeakPolarHBondContact CZ3-O 3.29Å; W178-P184 HydrophobicContact CE3-CB 4.42Å; W178-P184 HydrophobicContact CE3-CG 3.97Å; W178-P184 HydrophobicContact CH2-CG 4.02Å; W178-P184 HydrophobicContact CZ3-CB 4.41Å; W178-P184 HydrophobicContact CZ3-CG 3.52Å
179G83.6Confident86.3Confident14 Ų1440 Ų4014%0.14421%0.213CC..  trans-84.8-157175.800000112.5R165 C183R165-G179 VanDerWaalsContact NH1-CA 3.35Å; G179-C183 WeakPolarHBondContact CA-O 3.06Å; G179-C183 PolarHBondContact N-O 2.85Å
180D79.5Confident85.5Confident86 Ų8641.5 Ų41.546%0.4623%0.228SC..G310 helixtrans-71.7158.7172.5-57-13000108.9K163 R165 C182 C183K163-D180 IonicContact NZ-OD1 3.73Å; K163-D180 PolarHBondContact NZ-OD1 2.96Å; K163-D180 IonicContact NZ-OD2 2.59Å; K163-D180 PolarHBondContact NZ-OD2 2.89Å; R165-D180 IonicContact CZ-OD1 3.91Å; R165-D180 IonicContact NH1-OD1 3.44Å; R165-D180 PolarHBondContact NH1-OD1 3.23Å; R165-D180 IonicContact NH2-OD1 3.73Å; D180-C182 PolarHBondContact O-N 2.99Å; D180-C182 VanDerWaalsContact O-N 3.09Å; D180-C183 PolarHBondContact O-N 3.34Å
181D77.5Confident85.3Confident154 Ų15442 Ų4282%0.82423%0.231SC*.G310 helixtrans54.828.2179.5-53.3-41.6000115.9C183D181-C183 PolarHBondContact O-N 2.79Å
182C78.9Confident85.2Confident27 Ų2746 Ų4618%0.18225%0.254CS..G310 helixtrans59.225.4179.8-490000114E144 Y145 W178 D180E144-C182 WeakPolarHBondContact O-CB 3.29Å; Y145-C182 HydrophobicContact CD1-CB 3.75Å; Y145-C182 HydrophobicContact CE1-CB 3.97Å; Y145-C182 HydrophobicContact CG-CB 4.19Å; W178-C182 WeakPolarHBondContact CZ3-O 3.29Å; D180-C182 PolarHBondContact O-N 2.99Å; D180-C182 VanDerWaalsContact O-N 3.09Å
183C72.3Confident85.6Confident65 Ų6547.2 Ų47.244%0.43926%0.26SS..  trans-90.5141.5174.6-73.10000110.9G179 D180 D181 L185G179-C183 WeakPolarHBondContact CA-O 3.06Å; G179-C183 PolarHBondContact N-O 2.85Å; D180-C183 PolarHBondContact O-N 3.34Å; D181-C183 PolarHBondContact O-N 2.79Å; C183-L185 PolarHBondContact O-N 2.81Å
184P80.3Confident85.6Confident33 Ų3343.8 Ų43.821%0.21425%0.247CC..EExtended strand (participates in β ladder)trans-61.1122.4172.4-19.431.3000110.3F176 W178F176-P184 HydrophobicContact CG-CB 4.43Å; W178-P184 HydrophobicContact CE3-CB 4.42Å; W178-P184 HydrophobicContact CE3-CG 3.97Å; W178-P184 HydrophobicContact CH2-CG 4.02Å; W178-P184 HydrophobicContact CZ3-CB 4.41Å; W178-P184 HydrophobicContact CZ3-CG 3.52Å
185L81.4Confident85.9Confident69 Ų6942 Ų4236%0.36124%0.238SC..EExtended strand (participates in β ladder)trans-81.7-39.4171.8-177.563.3000110.8F160 L177 C183F160-L185 HydrophobicContact CD1-CD2 3.8Å; F160-L185 HydrophobicContact CE1-CD2 3.77Å; L177-L185 HydrophobicContact CD2-CD2 4.11Å; L177-L185 HydrophobicContact CG-CD2 4.43Å; L177-L185 WeakPolarHBondContact O-CA 3.44Å; L177-L185 WeakPolarHBondContact O-CB 3.27Å; L177-L185 PolarHBondContact O-N 2.9Å; C183-L185 PolarHBondContact O-N 2.81Å
186R86Confident86Confident87 Ų8742.7 Ų42.733%0.32824%0.24SC..EExtended strand (participates in β ladder)trans-146.3153.8178.1-64.1-178.7-176.2-1065.8111.4F176 L177 Y188 A220 D221F176-R186 WeakPolarHBondContact CA-O 3.49Å; L177-R186 HydrophobicContact CB-CB 4.28Å; L177-R186 PolarHBondContact N-O 2.85Å; L177-R186 PolarHBondContact O-N 2.87Å; L177-R186 VanDerWaalsContact O-N 3.13Å; R186-Y188 HydrophobicContact CB-CE2 4.45Å; R186-A220 WeakPolarHBondContact CD-O 3.48Å; R186-A220 PolarHBondContact NE-O 2.92Å; R186-D221 PolarHBondContact NH1-O 3.32Å
187S85.7Confident86.3Confident21 Ų2142 Ų4215%0.14724%0.24CC..EExtended strand (participates in β ladder)trans-119.9133.2167.260.80000110.6I175 F176 H189I175-S187 WeakPolarHBondContact O-CA 3.41Å; F176-S187 VanDerWaalsContact CE1-CB 3.48Å; S187-H189 PolarHBondContact OG-NE2 2.94Å; S187-H189 VanDerWaalsContact OG-NE2 3.07Å
188Y87.4Confident86.6Confident1 Ų143 Ų430%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-104.6126.9177.1-51.8-91.7000109.5L167 I175 L177 R186 F206 W218 A220 Y222L167-Y188 HydrophobicContact CD2-CE2 4.11Å; I175-Y188 HydrophobicContact CB-CD2 3.95Å; I175-Y188 HydrophobicContact CB-CG 4.49Å; I175-Y188 HydrophobicContact CG2-CD2 3.92Å; I175-Y188 PolarHBondContact N-O 2.76Å; I175-Y188 WeakPolarHBondContact O-CD2 3.48Å; I175-Y188 PolarHBondContact O-N 2.85Å; L177-Y188 HydrophobicContact CB-CE2 3.87Å; R186-Y188 HydrophobicContact CB-CE2 4.45Å; Y188-F206 HydrophobicContact CD1-CZ 4.03Å; Y188-F206 AromaticContact CD2-CZ 3.79Å; Y188-F206 HydrophobicContact CD2-CZ 3.79Å; Y188-F206 HydrophobicContact CE1-CE1 4Å; Y188-F206 AromaticContact CE1-CZ 3.91Å; Y188-F206 HydrophobicContact CE1-CZ 3.91Å; Y188-F206 HydrophobicContact CE2-CE1 4.04Å; Y188-F206 AromaticContact CE2-CZ 3.67Å; Y188-F206 HydrophobicContact CE2-CZ 3.67Å; Y188-F206 AromaticContact CG-CZ 3.97Å; Y188-F206 HydrophobicContact CG-CZ 3.97Å; Y188-F206 AromaticContact CZ-CE1 3.72Å; Y188-F206 AromaticContact CZ-CZ 3.74Å; Y188-W218 HydrophobicContact CD1-CD2 4.39Å; Y188-W218 AromaticContact CD1-CE3 3.88Å; Y188-W218 HydrophobicContact CD1-CE3 3.88Å; Y188-W218 HydrophobicContact CG-CE3 4.26Å; Y188-A220 VanDerWaalsContact OH-CA 3.28Å; Y188-A220 WeakPolarHBondContact OH-CA 3.11Å; Y188-A220 PolarHBondContact OH-O 3.33Å; Y188-A220 VanDerWaalsContact OH-O 3.07Å; Y188-Y222 WeakPolarHBondContact CE1-O 3.24Å
189H88Confident86.9Confident94 Ų9445.4 Ų45.444%0.43525%0.254SS..  trans-115.5139-176-66.7-103000109.5L174 S187 W218L174-H189 WeakPolarHBondContact CD2-CE1 3.32Å; L174-H189 WeakPolarHBondContact CD2-ND1 3.21Å; S187-H189 PolarHBondContact OG-NE2 2.94Å; S187-H189 VanDerWaalsContact OG-NE2 3.07Å; H189-W218 VanDerWaalsContact O-CH2 3.3Å; H189-W218 WeakPolarHBondContact O-CH2 3.48Å
190G81.3Confident87.5Confident30 Ų3046.4 Ų46.431%0.30926%0.257SS..  trans155.9-29172.100000114.7R216G190-R216 PolarHBondContact O-NE 2.92Å; G190-R216 PolarHBondContact O-NH2 3.3Å
191H87.4Confident88Confident11 Ų1143 Ų435%0.05124%0.24CC..  trans-68.5137169.3-81-57.5000110.3V195 S208 S210 D212 T214H191-V195 HydrophobicContact CB-CG2 3.76Å; H191-S208 PolarHBondContact CD2-OG 2.89Å; H191-S208 VanDerWaalsContact CD2-OG 3.32Å; H191-S208 PolarHBondContact NE2-OG 3.24Å; H191-S210 VanDerWaalsContact CE1-CB 3.4Å; H191-S210 WeakPolarHBondContact CE1-CB 3.22Å; H191-S210 WeakPolarHBondContact ND1-CB 3.44Å; H191-D212 VanDerWaalsContact CA-OD2 3.24Å; H191-D212 WeakPolarHBondContact CA-OD2 3.31Å; H191-D212 IonicContact CE1-OD1 3.41Å; H191-D212 IonicContact CE1-OD2 3.17Å; H191-D212 IonicContact CG-OD2 2.71Å; H191-D212 IonicContact ND1-OD1 2.63Å; H191-D212 PolarHBondContact ND1-OD1 2.95Å; H191-D212 IonicContact ND1-OD2 2.75Å; H191-D212 PolarHBondContact ND1-OD2 3.24Å; H191-T214 PolarHBondContact CE1-O 3.29Å; H191-T214 PolarHBondContact CE1-OG1 3.03Å; H191-T214 PolarHBondContact ND1-OG1 3.08Å
192T89.5Confident88.4Confident98 Ų9837.5 Ų37.560%0.60121%0.213SC*.SBendtrans-96.5-3.9-177.257.70000113K173 D212K173-T192 WeakPolarHBondContact CD-O 3.28Å; K173-T192 VanDerWaalsContact CE-O 3.31Å; K173-T192 WeakPolarHBondContact CE-O 3.23Å; K173-T192 PolarHBondContact NZ-O 2.97Å; T192-D212 PolarHBondContact N-OD2 3.07Å; T192-D212 VanDerWaalsContact OG1-CB 3.29Å; T192-D212 WeakPolarHBondContact OG1-CB 3.29Å
193D91.6Very high88.6Confident53 Ų5339.4 Ų39.428%0.28323%0.227SC..SBendtrans-146.2178177.9-150.4-29.9000110.4V195 S210 N211 D212D193-V195 PolarHBondContact O-N 3.14Å; D193-S210 PolarHBondContact O-OG 2.9Å; D193-N211 HydrophobicContact CB-CB 3.81Å; D193-D212 HydrophobicContact CB-CB 4.05Å
194C92.5Very high89.2Confident17 Ų1740.5 Ų40.512%0.11523%0.226CC..  trans-46.7131.2-175.4-57.50000112.2S210 N211C194-S210 CarbonylContact O-C 3.48Å; C194-S210 VanDerWaalsContact O-CA 3.23Å; C194-S210 WeakPolarHBondContact O-CA 3.27Å; C194-S210 WeakPolarHBondContact O-CB 3.08Å; C194-S210 PolarHBondContact O-OG 3.16Å; C194-N211 HydrophobicContact CB-CB 4.28Å; C194-N211 PolarHBondContact O-N 2.84Å
195V96.3Very high89.7Confident0 Ų041.7 Ų41.70%023%0.228CC..EExtended strand (participates in β ladder)trans-90.9117.8176.1-171.60000108.7W153 A169 S170 I175 H191 D193 C209W153-V195 VanDerWaalsContact CB-O 3.31Å; W153-V195 WeakPolarHBondContact CB-O 3.47Å; A169-V195 HydrophobicContact CB-CB 3.81Å; A169-V195 HydrophobicContact CB-CG1 3.57Å; S170-V195 PolarHBondContact O-N 3.45Å; I175-V195 HydrophobicContact CD1-CG1 4.1Å; I175-V195 HydrophobicContact CG1-CB 4.49Å; I175-V195 HydrophobicContact CG1-CG1 4.06Å; I175-V195 HydrophobicContact CG1-CG2 4.26Å; H191-V195 HydrophobicContact CB-CG2 3.76Å; D193-V195 PolarHBondContact O-N 3.14Å; V195-C209 CarbonylContact C-O 3.56Å
196R96.7Very high90.4Very high15 Ų1538.4 Ų38.46%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-101.1-28-167.3-59.9-63.2-76.6-104.515.2114.5C209 N211 I236 F237 D475 F477R196-C209 PolarHBondContact N-O 2.94Å; R196-N211 WeakPolarHBondContact CD-OD1 3.49Å; R196-N211 WeakPolarHBondContact CG-OD1 3.16Å; R196-N211 PolarHBondContact NH1-ND2 2.86Å; R196-N211 PolarHBondContact NH1-OD1 2.81Å; R196-I236 VanDerWaalsContact CB-O 3.29Å; R196-I236 WeakPolarHBondContact CB-O 3.44Å; R196-F237 VanDerWaalsContact CZ-CD1 3.41Å; R196-F237 VanDerWaalsContact NH1-CE1 3.3Å; R196-F237 VanDerWaalsContact NH2-CE1 3.27Å; R196-D475 IonicContact CZ-OD2 2.63Å; R196-D475 IonicContact NH1-OD2 2.77Å; R196-D475 PolarHBondContact NH1-OD2 3.09Å; R196-D475 VanDerWaalsContact NH1-OD2 3.15Å; R196-D475 IonicContact NH2-OD1 3.26Å; R196-D475 IonicContact NH2-OD2 2.95Å; R196-F477 VanDerWaalsContact NH2-CE2 3.33Å
197G96.5Very high90.9Very high7 Ų734.3 Ų34.37%0.07220%0.196CC..EExtended strand (participates in β ladder)trans-140.4150.3-175.700000112.1S208 C209G197-S208 VanDerWaalsContact O-CA 3.23Å; G197-S208 WeakPolarHBondContact O-CA 3.28Å; G197-C209 VanDerWaalsContact CA-SG 3.52Å; G197-C209 PolarHBondContact N-O 3.43Å; G197-C209 PolarHBondContact N-SG 2.7Å; G197-C209 PolarHBondContact O-N 3.32Å; G197-C209 VanDerWaalsContact O-N 3.09Å
198L97.7Very high91.5Very high21 Ų2133.3 Ų33.311%0.1119%0.189CC..EExtended strand (participates in β ladder)trans-130.3143.4172.9-74.4171.4000108.9A154 A156 L167 A169 I175 F206 Y207A154-L198 HydrophobicContact CB-CB 4.08Å; A154-L198 HydrophobicContact CB-CD1 4.04Å; A154-L198 HydrophobicContact CB-CG 3.88Å; A156-L198 HydrophobicContact CB-CB 4.19Å; L167-L198 HydrophobicContact CB-CD1 4.03Å; A169-L198 HydrophobicContact CB-CD1 3.75Å; A169-L198 HydrophobicContact CB-CD2 4.18Å; A169-L198 HydrophobicContact CB-CG 3.84Å; I175-L198 HydrophobicContact CD1-CD2 4.14Å; I175-L198 HydrophobicContact CG2-CD2 4.09Å; L198-F206 HydrophobicContact CD2-CD2 3.92Å; L198-F206 HydrophobicContact CD2-CE2 4.15Å; L198-Y207 CarbonylContact C-O 3.58Å; L198-Y207 WeakPolarHBondContact CA-O 3.31Å
199Y96.1Very high92Very high51 Ų5133.3 Ų33.320%0.219%0.188CC..EExtended strand (participates in β ladder)trans-142.2119.6169.7-176.1-80.8000110.3F206 Y207 S241 R242Y199-F206 CarbonylContact O-C 3.58Å; Y199-F206 WeakPolarHBondContact O-CA 3.1Å; Y199-F206 WeakPolarHBondContact O-CB 3.29Å; Y199-Y207 HydrophobicContact CD1-CD2 4.23Å; Y199-Y207 PolarHBondContact N-O 3.08Å; Y199-Y207 PolarHBondContact O-N 2.87Å; Y199-S241 VanDerWaalsContact CE2-O 3.25Å; Y199-S241 WeakPolarHBondContact CE2-O 3.33Å; Y199-S241 VanDerWaalsContact CZ-C 3.42Å; Y199-S241 PolarHBondContact OH-O 3.47Å; Y199-R242 WeakPolarHBondContact OH-CA 3.39Å; Y199-R242 PolarHBondContact OH-N 2.85Å
200V94.7Very high92.3Very high34 Ų3428.8 Ų28.821%0.20617%0.168CC..EExtended strand (participates in β ladder)trans-85124.5177.1174.90000109.3A156 F157 L158 L167 S202 F206A156-V200 HydrophobicContact CB-CG2 3.88Å; F157-V200 WeakPolarHBondContact O-CG2 3.49Å; L158-V200 HydrophobicContact CB-CG2 4.37Å; L158-V200 HydrophobicContact CD1-CG1 3.55Å; L158-V200 HydrophobicContact CD1-CG2 4.26Å; L167-V200 HydrophobicContact CD1-CG2 3.92Å; V200-S202 VanDerWaalsContact CG1-O 3.27Å; V200-S202 WeakPolarHBondContact CG1-O 3.46Å; V200-F206 HydrophobicContact CG2-CB 4.07Å
201T90.4Very high93Very high16 Ų1628 Ų2810%0.09816%0.157CC..EExtended strand (participates in β ladder)trans-107.3-14.5-177.4-169.40000114Q205 Y207T201-Q205 HydrophobicContact CG2-CB 3.49Å; T201-Q205 VanDerWaalsContact CG2-CB 3.49Å; T201-Q205 WeakPolarHBondContact CG2-O 3.33Å; T201-Q205 PolarHBondContact N-O 3.25Å; T201-Y207 HydrophobicContact CG2-CD2 4.45Å; T201-Y207 HydrophobicContact CG2-CE2 3.92Å
202S86.4Confident93.1Very high38 Ų3829.1 Ų29.127%0.26616%0.163SC..EExtended strand (participates in β ladder)trans-164.2178.6173.471.80000109.4L158 V200 Q204 Q205L158-S202 VanDerWaalsContact CD1-O 3.31Å; L158-S202 WeakPolarHBondContact CD1-O 3.26Å; V200-S202 VanDerWaalsContact CG1-O 3.27Å; V200-S202 WeakPolarHBondContact CG1-O 3.46Å; S202-Q204 PolarHBondContact O-N 2.8Å; S202-Q204 PolarHBondContact OG-N 3.28Å; S202-Q205 PolarHBondContact N-O 2.8Å; S202-Q205 PolarHBondContact O-N 2.77Å; S202-Q205 WeakPolarHBondContact OG-CB 3.33Å; S202-Q205 PolarHBondContact OG-N 2.85Å
203S81.8Confident93.2Very high67 Ų6725 Ų2547%0.46914%0.139SC..THydrogen-bonded Turntrans-56.8-21.7175.854.30000114.4L158 K159L158-S203 WeakPolarHBondContact CD1-O 3.33Å; K159-S203 CarbonylContact C-O 3.58Å; K159-S203 CarbonylContact O-C 3.56Å; K159-S203 WeakPolarHBondContact O-CB 3.48Å
204Q85.4Confident93.3Very high88 Ų8823.4 Ų23.441%0.41113%0.131SC..THydrogen-bonded Turntrans-125.6-0.5-177.7-60.9-173.6-22.500114.3S202 Q219 A220S202-Q204 PolarHBondContact O-N 2.8Å; S202-Q204 PolarHBondContact OG-N 3.28Å; Q204-Q219 VanDerWaalsContact CB-NE2 3.25Å; Q204-Q219 CarbonylContact O-C 3.58Å; Q204-Q219 WeakPolarHBondContact O-CA 3.38Å; Q204-A220 PolarHBondContact O-N 2.79Å
205Q91.8Very high93.5Very high57 Ų5722.6 Ų22.627%0.26613%0.126SC..EExtended strand (participates in β ladder)trans-129.2140.6-175.8-67.9-179.6-12.900112.2T201 S202 W218T201-Q205 HydrophobicContact CG2-CB 3.49Å; T201-Q205 VanDerWaalsContact CG2-CB 3.49Å; T201-Q205 WeakPolarHBondContact CG2-O 3.33Å; T201-Q205 PolarHBondContact N-O 3.25Å; S202-Q205 PolarHBondContact N-O 2.8Å; S202-Q205 PolarHBondContact O-N 2.77Å; S202-Q205 WeakPolarHBondContact OG-CB 3.33Å; S202-Q205 PolarHBondContact OG-N 2.85Å; Q205-W218 VanDerWaalsContact CA-O 3.32Å; Q205-W218 WeakPolarHBondContact CA-O 3.48Å
206F95.3Very high93.5Very high0 Ų024.7 Ų24.70%013%0.134CC..EExtended strand (participates in β ladder)trans-145.4156.9174.265.7-86.4000110.7L167 I175 Y188 L198 Y199 V200 W218L167-F206 HydrophobicContact CD1-CB 4.2Å; L167-F206 HydrophobicContact CD1-CD1 3.91Å; L167-F206 HydrophobicContact CD1-CD2 4.26Å; L167-F206 HydrophobicContact CD1-CE1 4.34Å; L167-F206 HydrophobicContact CD1-CG 3.87Å; L167-F206 HydrophobicContact CD2-CE1 4.26Å; L167-F206 HydrophobicContact CD2-CZ 4.3Å; I175-F206 HydrophobicContact CD1-CE2 4.05Å; I175-F206 HydrophobicContact CG2-CE2 4.09Å; I175-F206 HydrophobicContact CG2-CZ 4.38Å; Y188-F206 HydrophobicContact CD1-CZ 4.03Å; Y188-F206 AromaticContact CD2-CZ 3.79Å; Y188-F206 HydrophobicContact CD2-CZ 3.79Å; Y188-F206 HydrophobicContact CE1-CE1 4Å; Y188-F206 AromaticContact CE1-CZ 3.91Å; Y188-F206 HydrophobicContact CE1-CZ 3.91Å; Y188-F206 HydrophobicContact CE2-CE1 4.04Å; Y188-F206 AromaticContact CE2-CZ 3.67Å; Y188-F206 HydrophobicContact CE2-CZ 3.67Å; Y188-F206 AromaticContact CG-CZ 3.97Å; Y188-F206 HydrophobicContact CG-CZ 3.97Å; Y188-F206 AromaticContact CZ-CE1 3.72Å; Y188-F206 AromaticContact CZ-CZ 3.74Å; L198-F206 HydrophobicContact CD2-CD2 3.92Å; L198-F206 HydrophobicContact CD2-CE2 4.15Å; Y199-F206 CarbonylContact O-C 3.58Å; Y199-F206 WeakPolarHBondContact O-CA 3.1Å; Y199-F206 WeakPolarHBondContact O-CB 3.29Å; V200-F206 HydrophobicContact CG2-CB 4.07Å; F206-W218 HydrophobicContact CD1-CB 3.96Å; F206-W218 HydrophobicContact CD2-CB 4.07Å; F206-W218 AromaticContact CD2-CD1 3.6Å; F206-W218 HydrophobicContact CD2-CG 4.1Å; F206-W218 HydrophobicContact CE1-CB 3.49Å; F206-W218 VanDerWaalsContact CE1-CB 3.49Å; F206-W218 HydrophobicContact CE1-CG 4.22Å; F206-W218 HydrophobicContact CE2-CB 3.62Å; F206-W218 AromaticContact CE2-CD1 3.18Å; F206-W218 HydrophobicContact CE2-CD2 4.37Å; F206-W218 AromaticContact CE2-CG 3.45Å; F206-W218 HydrophobicContact CE2-CG 3.45Å; F206-W218 VanDerWaalsContact CE2-CG 3.45Å; F206-W218 AromaticContact CE2-NE1 3.95Å; F206-W218 HydrophobicContact CG-CB 4.22Å; F206-W218 HydrophobicContact CZ-CB 3.3Å; F206-W218 AromaticContact CZ-CD1 3.78Å; F206-W218 HydrophobicContact CZ-CD2 4.35Å; F206-W218 AromaticContact CZ-CG 3.52Å; F206-W218 HydrophobicContact CZ-CG 3.52Å; F206-W218 PolarHBondContact N-O 3.37Å; F206-W218 PolarHBondContact O-N 3.14Å
207Y96.5Very high93.4Very high2 Ų224.6 Ų24.61%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-104.9152.5170.5-61.3-82.9000110.4L198 Y199 T201 I215 R216 M217 Y229 I239 F248 K262L198-Y207 CarbonylContact C-O 3.58Å; L198-Y207 WeakPolarHBondContact CA-O 3.31Å; Y199-Y207 HydrophobicContact CD1-CD2 4.23Å; Y199-Y207 PolarHBondContact N-O 3.08Å; Y199-Y207 PolarHBondContact O-N 2.87Å; T201-Y207 HydrophobicContact CG2-CD2 4.45Å; T201-Y207 HydrophobicContact CG2-CE2 3.92Å; Y207-I215 HydrophobicContact CD1-CG2 4.39Å; Y207-R216 CarbonylContact C-O 3.6Å; Y207-R216 WeakPolarHBondContact CA-O 3.31Å; Y207-M217 HydrophobicContact CD1-CB 3.85Å; Y207-M217 HydrophobicContact CD1-CG 4.29Å; Y207-M217 HydrophobicContact CE1-CB 3.73Å; Y207-M217 HydrophobicContact CE1-CE 3.56Å; Y207-M217 HydrophobicContact CE1-CG 3.93Å; Y207-M217 VanDerWaalsContact CZ-CE 3.47Å; Y207-M217 WeakPolarHBondContact OH-CE 3.49Å; Y207-Y229 HydrophobicContact CD1-CE2 4.28Å; Y207-Y229 AromaticContact CE1-CE2 3.89Å; Y207-Y229 HydrophobicContact CE1-CE2 3.89Å; Y207-I239 VanDerWaalsContact CB-CD1 3.49Å; Y207-I239 HydrophobicContact CG-CD1 4.05Å; Y207-F248 HydrophobicContact CE1-CD1 4.35Å; Y207-F248 AromaticContact CE1-CE1 3.89Å; Y207-F248 HydrophobicContact CE1-CE1 3.89Å; Y207-F248 HydrophobicContact CE1-CZ 4.28Å; Y207-K262 WeakPolarHBondContact OH-CG 3.32Å
208S97.6Very high93.2Very high0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-131.1150.1165.8620000111H191 G197 I215 R216 W218H191-S208 PolarHBondContact CD2-OG 2.89Å; H191-S208 VanDerWaalsContact CD2-OG 3.32Å; H191-S208 PolarHBondContact NE2-OG 3.24Å; G197-S208 VanDerWaalsContact O-CA 3.23Å; G197-S208 WeakPolarHBondContact O-CA 3.28Å; S208-I215 CarbonylContact O-C 3.47Å; S208-I215 WeakPolarHBondContact O-CA 3.41Å; S208-I215 VanDerWaalsContact O-CG2 3.28Å; S208-I215 WeakPolarHBondContact O-CG2 3.42Å; S208-R216 PolarHBondContact N-O 3.37Å; S208-R216 PolarHBondContact O-N 2.98Å; S208-W218 PolarHBondContact OG-NE1 2.78Å
209C97.7Very high92.9Very high0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-125.8151.1171.565.90000110.8V195 R196 G197 I215 I236V195-C209 CarbonylContact C-O 3.56Å; R196-C209 PolarHBondContact N-O 2.94Å; G197-C209 VanDerWaalsContact CA-SG 3.52Å; G197-C209 PolarHBondContact N-O 3.43Å; G197-C209 PolarHBondContact N-SG 2.7Å; G197-C209 PolarHBondContact O-N 3.32Å; G197-C209 VanDerWaalsContact O-N 3.09Å; C209-I215 HydrophobicContact CB-CG1 3.94Å; C209-I236 HydrophobicContact CB-CB 3.86Å; C209-I236 HydrophobicContact CB-CG2 3.53Å
210S95.1Very high92.5Very high0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-141.6163.2-168171.70000113.2H191 D193 C194 D212 G213 T214 I236H191-S210 VanDerWaalsContact CE1-CB 3.4Å; H191-S210 WeakPolarHBondContact CE1-CB 3.22Å; H191-S210 WeakPolarHBondContact ND1-CB 3.44Å; D193-S210 PolarHBondContact O-OG 2.9Å; C194-S210 CarbonylContact O-C 3.48Å; C194-S210 VanDerWaalsContact O-CA 3.23Å; C194-S210 WeakPolarHBondContact O-CA 3.27Å; C194-S210 WeakPolarHBondContact O-CB 3.08Å; C194-S210 PolarHBondContact O-OG 3.16Å; S210-D212 WeakPolarHBondContact CB-OD1 3.27Å; S210-D212 PolarHBondContact O-N 3.03Å; S210-D212 VanDerWaalsContact OG-CG 3.31Å; S210-D212 PolarHBondContact OG-N 2.79Å; S210-D212 PolarHBondContact OG-OD1 3.12Å; S210-G213 PolarHBondContact O-N 2.92Å; S210-T214 PolarHBondContact N-O 3.2Å; S210-I236 PolarHBondContact O-N 3.01Å
211N95.6Very high92Very high14 Ų1422.6 Ų22.68%0.07512%0.124CC..THydrogen-bonded Turntrans-61.2-14.7165.3-75.510.5000113D193 C194 R196 G213 F235D193-N211 HydrophobicContact CB-CB 3.81Å; C194-N211 HydrophobicContact CB-CB 4.28Å; C194-N211 PolarHBondContact O-N 2.84Å; R196-N211 WeakPolarHBondContact CD-OD1 3.49Å; R196-N211 WeakPolarHBondContact CG-OD1 3.16Å; R196-N211 PolarHBondContact NH1-ND2 2.86Å; R196-N211 PolarHBondContact NH1-OD1 2.81Å; N211-G213 PolarHBondContact O-N 2.83Å; N211-F235 VanDerWaalsContact CA-CD1 3.49Å; N211-F235 HydrophobicContact CB-CB 4.46Å; N211-F235 HydrophobicContact CB-CD1 3.53Å; N211-F235 HydrophobicContact CB-CD2 4.42Å; N211-F235 HydrophobicContact CB-CE1 3.74Å; N211-F235 HydrophobicContact CB-CG 3.89Å; N211-F235 HydrophobicContact CB-CZ 4.28Å; N211-F235 WeakPolarHBondContact O-CD1 3.41Å; N211-F235 WeakPolarHBondContact O-CE1 3.44Å
212D90.9Very high91.3Very high34 Ų3428.5 Ų28.518%0.18215%0.145CC..THydrogen-bonded Turntrans-742.9174.569.714.5000114.2H191 T192 D193 S210 T214H191-D212 VanDerWaalsContact CA-OD2 3.24Å; H191-D212 WeakPolarHBondContact CA-OD2 3.31Å; H191-D212 IonicContact CE1-OD1 3.41Å; H191-D212 IonicContact CE1-OD2 3.17Å; H191-D212 IonicContact CG-OD2 2.71Å; H191-D212 IonicContact ND1-OD1 2.63Å; H191-D212 PolarHBondContact ND1-OD1 2.95Å; H191-D212 IonicContact ND1-OD2 2.75Å; H191-D212 PolarHBondContact ND1-OD2 3.24Å; T192-D212 PolarHBondContact N-OD2 3.07Å; T192-D212 VanDerWaalsContact OG1-CB 3.29Å; T192-D212 WeakPolarHBondContact OG1-CB 3.29Å; D193-D212 HydrophobicContact CB-CB 4.05Å; S210-D212 WeakPolarHBondContact CB-OD1 3.27Å; S210-D212 PolarHBondContact O-N 3.03Å; S210-D212 VanDerWaalsContact OG-CG 3.31Å; S210-D212 PolarHBondContact OG-N 2.79Å; S210-D212 PolarHBondContact OG-OD1 3.12Å; D212-T214 VanDerWaalsContact CG-OG1 3.29Å; D212-T214 PolarHBondContact O-N 2.62Å; D212-T214 WeakPolarHBondContact OD1-CA 3.43Å; D212-T214 VanDerWaalsContact OD1-CB 3.3Å; D212-T214 WeakPolarHBondContact OD1-CB 3.41Å; D212-T214 PolarHBondContact OD1-N 3.1Å; D212-T214 PolarHBondContact OD1-OG1 2.89Å; D212-T214 PolarHBondContact OD2-OG1 3.44Å
213G90.7Very high90.3Very high10 Ų1029.4 Ų29.410%0.10316%0.155CC..SBendtrans76.29.7179.900000113.8S210 N211S210-G213 PolarHBondContact O-N 2.92Å; N211-G213 PolarHBondContact O-N 2.83Å
214T94.2Very high89.8Confident20 Ų2029.8 Ų29.812%0.12316%0.158CC..EExtended strand (participates in β ladder)trans-116.7154.9-178.977.80000113.1H191 S210 D212 T228 T230H191-T214 PolarHBondContact CE1-O 3.29Å; H191-T214 PolarHBondContact CE1-OG1 3.03Å; H191-T214 PolarHBondContact ND1-OG1 3.08Å; S210-T214 PolarHBondContact N-O 3.2Å; D212-T214 VanDerWaalsContact CG-OG1 3.29Å; D212-T214 PolarHBondContact O-N 2.62Å; D212-T214 WeakPolarHBondContact OD1-CA 3.43Å; D212-T214 VanDerWaalsContact OD1-CB 3.3Å; D212-T214 WeakPolarHBondContact OD1-CB 3.41Å; D212-T214 PolarHBondContact OD1-N 3.1Å; D212-T214 PolarHBondContact OD1-OG1 2.89Å; D212-T214 PolarHBondContact OD2-OG1 3.44Å; T214-T228 HydrophobicContact CG2-CG2 4.24Å; T214-T230 HydrophobicContact CG2-CG2 4.18Å
215I97.1Very high89.5Confident0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-114.4136.7166.9-55.7170000107.1Y207 S208 C209 T228 Y229 I236 I239 F248 S250 W260Y207-I215 HydrophobicContact CD1-CG2 4.39Å; S208-I215 CarbonylContact O-C 3.47Å; S208-I215 WeakPolarHBondContact O-CA 3.41Å; S208-I215 VanDerWaalsContact O-CG2 3.28Å; S208-I215 WeakPolarHBondContact O-CG2 3.42Å; C209-I215 HydrophobicContact CB-CG1 3.94Å; I215-T228 CarbonylContact O-C 3.45Å; I215-T228 WeakPolarHBondContact O-CA 3.3Å; I215-Y229 HydrophobicContact CB-CD2 4.29Å; I215-Y229 HydrophobicContact CG2-CD2 4.22Å; I215-Y229 PolarHBondContact N-O 3.26Å; I215-Y229 PolarHBondContact O-N 2.57Å; I215-I236 HydrophobicContact CD1-CD1 4.18Å; I215-I236 HydrophobicContact CG1-CD1 3.58Å; I215-I239 HydrophobicContact CD1-CD1 4.41Å; I215-I239 HydrophobicContact CG2-CD1 3.52Å; I215-F248 HydrophobicContact CD1-CE2 3.86Å; I215-F248 HydrophobicContact CG2-CE2 4.06Å; I215-F248 HydrophobicContact CG2-CZ 4.3Å; I215-S250 VanDerWaalsContact CD1-CB 3.45Å; I215-S250 WeakPolarHBondContact CD1-OG 3.29Å; I215-W260 HydrophobicContact CD1-CZ2 4.5Å
216R95Very high89.2Confident44 Ų4428.2 Ų28.217%0.16616%0.156CC..EExtended strand (participates in β ladder)trans-119.7138.8178.7-69178.8177.9-95.31110.3G190 Y207 S208 W218 S225 R227 T228G190-R216 PolarHBondContact O-NE 2.92Å; G190-R216 PolarHBondContact O-NH2 3.3Å; Y207-R216 CarbonylContact C-O 3.6Å; Y207-R216 WeakPolarHBondContact CA-O 3.31Å; S208-R216 PolarHBondContact N-O 3.37Å; S208-R216 PolarHBondContact O-N 2.98Å; R216-W218 HydrophobicContact CB-CZ2 3.74Å; R216-W218 VanDerWaalsContact CD-CZ2 3.45Å; R216-W218 HydrophobicContact CG-CZ2 4.23Å; R216-S225 PolarHBondContact NH1-OG 3Å; R216-R227 WeakPolarHBondContact CA-O 3.41Å; R216-T228 HydrophobicContact CG-CG2 4.21Å; R216-T228 PolarHBondContact NH1-OG1 3.45Å
217M94.7Very high88.9Confident13 Ų1331.8 Ų31.86%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-97.4132.2167.7179.2-168.3-93.500108.4Y207 S225 L226 R227 Y229Y207-M217 HydrophobicContact CD1-CB 3.85Å; Y207-M217 HydrophobicContact CD1-CG 4.29Å; Y207-M217 HydrophobicContact CE1-CB 3.73Å; Y207-M217 HydrophobicContact CE1-CE 3.56Å; Y207-M217 HydrophobicContact CE1-CG 3.93Å; Y207-M217 VanDerWaalsContact CZ-CE 3.47Å; Y207-M217 WeakPolarHBondContact OH-CE 3.49Å; M217-S225 CarbonylContact O-C 3.54Å; M217-S225 VanDerWaalsContact O-CA 3.28Å; M217-S225 WeakPolarHBondContact O-CA 3.34Å; M217-S225 WeakPolarHBondContact O-CB 3.29Å; M217-L226 HydrophobicContact CG-CB 4.49Å; M217-L226 PolarHBondContact O-N 3.2Å; M217-L226 HydrophobicContact SD-CB 4.33Å; M217-L226 HydrophobicContact SD-CD1 4.22Å; M217-R227 HydrophobicContact CB-CB 4.12Å; M217-R227 PolarHBondContact N-O 3.49Å; M217-R227 HydrophobicContact SD-CG 4.3Å; M217-Y229 HydrophobicContact CB-CE2 4.27Å
218W93.5Very high88.7Confident1 Ų134 Ų340%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-119.5149-179.7-53.690.7000110.3I175 Y188 H189 Q205 F206 S208 R216 A223 S225I175-W218 HydrophobicContact CD1-CZ2 4.31Å; Y188-W218 HydrophobicContact CD1-CD2 4.39Å; Y188-W218 AromaticContact CD1-CE3 3.88Å; Y188-W218 HydrophobicContact CD1-CE3 3.88Å; Y188-W218 HydrophobicContact CG-CE3 4.26Å; H189-W218 VanDerWaalsContact O-CH2 3.3Å; H189-W218 WeakPolarHBondContact O-CH2 3.48Å; Q205-W218 VanDerWaalsContact CA-O 3.32Å; Q205-W218 WeakPolarHBondContact CA-O 3.48Å; F206-W218 HydrophobicContact CD1-CB 3.96Å; F206-W218 HydrophobicContact CD2-CB 4.07Å; F206-W218 AromaticContact CD2-CD1 3.6Å; F206-W218 HydrophobicContact CD2-CG 4.1Å; F206-W218 HydrophobicContact CE1-CB 3.49Å; F206-W218 VanDerWaalsContact CE1-CB 3.49Å; F206-W218 HydrophobicContact CE1-CG 4.22Å; F206-W218 HydrophobicContact CE2-CB 3.62Å; F206-W218 AromaticContact CE2-CD1 3.18Å; F206-W218 HydrophobicContact CE2-CD2 4.37Å; F206-W218 AromaticContact CE2-CG 3.45Å; F206-W218 HydrophobicContact CE2-CG 3.45Å; F206-W218 VanDerWaalsContact CE2-CG 3.45Å; F206-W218 AromaticContact CE2-NE1 3.95Å; F206-W218 HydrophobicContact CG-CB 4.22Å; F206-W218 HydrophobicContact CZ-CB 3.3Å; F206-W218 AromaticContact CZ-CD1 3.78Å; F206-W218 HydrophobicContact CZ-CD2 4.35Å; F206-W218 AromaticContact CZ-CG 3.52Å; F206-W218 HydrophobicContact CZ-CG 3.52Å; F206-W218 PolarHBondContact N-O 3.37Å; F206-W218 PolarHBondContact O-N 3.14Å; S208-W218 PolarHBondContact OG-NE1 2.78Å; R216-W218 HydrophobicContact CB-CZ2 3.74Å; R216-W218 VanDerWaalsContact CD-CZ2 3.45Å; R216-W218 HydrophobicContact CG-CZ2 4.23Å; W218-A223 WeakPolarHBondContact CZ3-O 3.21Å; W218-S225 VanDerWaalsContact CE3-CA 3.47Å; W218-S225 VanDerWaalsContact CE3-N 3.35Å
219Q90.3Very high88.5Confident22 Ų2234.1 Ų34.110%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-107.5127.2163.9-178.879.323.900106.8Q204 D221 Y222 L226Q204-Q219 VanDerWaalsContact CB-NE2 3.25Å; Q204-Q219 CarbonylContact O-C 3.58Å; Q204-Q219 WeakPolarHBondContact O-CA 3.38Å; Q219-D221 HydrophobicContact CG-CB 4.4Å; Q219-D221 PolarHBondContact NE2-OD2 3.1Å; Q219-D221 PolarHBondContact O-N 2.86Å; Q219-D221 VanDerWaalsContact O-N 3.09Å; Q219-Y222 HydrophobicContact CB-CD2 3.76Å; Q219-Y222 HydrophobicContact CB-CE2 4.45Å; Q219-Y222 HydrophobicContact CG-CD2 3.52Å; Q219-Y222 HydrophobicContact CG-CE2 3.79Å; Q219-Y222 PolarHBondContact O-N 3.13Å; Q219-L226 HydrophobicContact CB-CD1 3.81Å; Q219-L226 HydrophobicContact CB-CD2 4.28Å; Q219-L226 HydrophobicContact CB-CG 3.96Å
220A88.1Confident88.1Confident0 Ų039 Ų390%021%0.213CC..THydrogen-bonded Turntrans-61.1-25.6-172.100000113.7L158 F160 R186 Y188 Q204 Y222L158-A220 HydrophobicContact CD2-CB 3.57Å; F160-A220 HydrophobicContact CD2-CB 3.52Å; F160-A220 HydrophobicContact CE2-CB 3.65Å; R186-A220 WeakPolarHBondContact CD-O 3.48Å; R186-A220 PolarHBondContact NE-O 2.92Å; Y188-A220 VanDerWaalsContact OH-CA 3.28Å; Y188-A220 WeakPolarHBondContact OH-CA 3.11Å; Y188-A220 PolarHBondContact OH-O 3.33Å; Y188-A220 VanDerWaalsContact OH-O 3.07Å; Q204-A220 PolarHBondContact O-N 2.79Å; A220-Y222 VanDerWaalsContact C-N 3.32Å
221D83.3Confident87.6Confident49 Ų4940.2 Ų40.226%0.26223%0.226SC..THydrogen-bonded Turntrans-73.9-20.6177.8-60-57.4000113.8F160 R186 Q219F160-D221 WeakPolarHBondContact CE2-OD1 3.03Å; F160-D221 WeakPolarHBondContact CZ-OD1 3.39Å; R186-D221 PolarHBondContact NH1-O 3.32Å; Q219-D221 HydrophobicContact CG-CB 4.4Å; Q219-D221 PolarHBondContact NE2-OD2 3.1Å; Q219-D221 PolarHBondContact O-N 2.86Å; Q219-D221 VanDerWaalsContact O-N 3.09Å
222Y76.2Confident87.2Confident140 Ų14040.2 Ų40.255%0.54923%0.226SC..SBendtrans-119.8139-174.2-53-71.1000110.7Y188 Q219 A220 S224Y188-Y222 WeakPolarHBondContact CE1-O 3.24Å; Q219-Y222 HydrophobicContact CB-CD2 3.76Å; Q219-Y222 HydrophobicContact CB-CE2 4.45Å; Q219-Y222 HydrophobicContact CG-CD2 3.52Å; Q219-Y222 HydrophobicContact CG-CE2 3.79Å; Q219-Y222 PolarHBondContact O-N 3.13Å; A220-Y222 VanDerWaalsContact C-N 3.32Å; Y222-S224 PolarHBondContact O-N 3.38Å
223A66.5Low86.9Confident56 Ų5642.8 Ų42.846%0.46324%0.237SC..SBendtrans-74.8-11.4179.500000113.6W218W218-A223 WeakPolarHBondContact CZ3-O 3.21Å
224S70.4Confident86.9Confident76 Ų7646.9 Ų46.953%0.53125%0.253SS..SBendtrans-100.1149.5-17955.30000112.3Y222Y222-S224 PolarHBondContact O-N 3.38Å
225S80Confident86.9Confident28 Ų2847.9 Ų47.920%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-73.2133.6175.458.90000110.4R216 M217 W218R216-S225 PolarHBondContact NH1-OG 3Å; M217-S225 CarbonylContact O-C 3.54Å; M217-S225 VanDerWaalsContact O-CA 3.28Å; M217-S225 WeakPolarHBondContact O-CA 3.34Å; M217-S225 WeakPolarHBondContact O-CB 3.29Å; W218-S225 VanDerWaalsContact CE3-CA 3.47Å; W218-S225 VanDerWaalsContact CE3-N 3.35Å
226L84.9Confident86.8Confident84 Ų8448 Ų4844%0.4426%0.256SS..EExtended strand (participates in β ladder)trans-67.5-38.9173.9-68.2-177.6000112M217 Q219M217-L226 HydrophobicContact CG-CB 4.49Å; M217-L226 PolarHBondContact O-N 3.2Å; M217-L226 HydrophobicContact SD-CB 4.33Å; M217-L226 HydrophobicContact SD-CD1 4.22Å; Q219-L226 HydrophobicContact CB-CD1 3.81Å; Q219-L226 HydrophobicContact CB-CD2 4.28Å; Q219-L226 HydrophobicContact CB-CG 3.96Å
227R89.6Confident86.9Confident74 Ų7446.6 Ų46.628%0.27925%0.251SS..EExtended strand (participates in β ladder)trans-146.6151.3-174.4-56-169.9-171.8-167.7-1.9111R216 M217 Y229 K262 E263 N265R216-R227 WeakPolarHBondContact CA-O 3.41Å; M217-R227 HydrophobicContact CB-CB 4.12Å; M217-R227 PolarHBondContact N-O 3.49Å; M217-R227 HydrophobicContact SD-CG 4.3Å; R227-Y229 HydrophobicContact CB-CE2 4.22Å; R227-K262 PolarHBondContact NH1-O 3.31Å; R227-E263 PolarHBondContact NH1-O 2.89Å; R227-E263 IonicContact NH2-OE2 3.08Å; R227-N265 WeakPolarHBondContact CD-OD1 2.76Å
228T91.8Very high87Confident50 Ų5047 Ų4731%0.30726%0.256SS..EExtended strand (participates in β ladder)trans-128.5125.6174.2-53.10000109T214 I215 R216 T230T214-T228 HydrophobicContact CG2-CG2 4.24Å; I215-T228 CarbonylContact O-C 3.45Å; I215-T228 WeakPolarHBondContact O-CA 3.3Å; R216-T228 HydrophobicContact CG-CG2 4.21Å; R216-T228 PolarHBondContact NH1-OG1 3.45Å; T228-T230 HydrophobicContact CG2-CG2 4.15Å
229Y92.6Very high87.2Confident2 Ų247.6 Ų47.61%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-100.3126176.4-52.9-110.2000107.7Y207 I215 M217 R227 F248 W260 K262 N265Y207-Y229 HydrophobicContact CD1-CE2 4.28Å; Y207-Y229 AromaticContact CE1-CE2 3.89Å; Y207-Y229 HydrophobicContact CE1-CE2 3.89Å; I215-Y229 HydrophobicContact CB-CD2 4.29Å; I215-Y229 HydrophobicContact CG2-CD2 4.22Å; I215-Y229 PolarHBondContact N-O 3.26Å; I215-Y229 PolarHBondContact O-N 2.57Å; M217-Y229 HydrophobicContact CB-CE2 4.27Å; R227-Y229 HydrophobicContact CB-CE2 4.22Å; Y229-F248 HydrophobicContact CD1-CE1 4.07Å; Y229-F248 AromaticContact CD1-CZ 3.62Å; Y229-F248 HydrophobicContact CD1-CZ 3.62Å; Y229-F248 AromaticContact CD2-CZ 3.99Å; Y229-F248 HydrophobicContact CD2-CZ 3.99Å; Y229-F248 AromaticContact CE1-CE1 3.44Å; Y229-F248 HydrophobicContact CE1-CE1 3.44Å; Y229-F248 VanDerWaalsContact CE1-CE1 3.44Å; Y229-F248 AromaticContact CE1-CZ 3.48Å; Y229-F248 HydrophobicContact CE1-CZ 3.48Å; Y229-F248 VanDerWaalsContact CE1-CZ 3.48Å; Y229-F248 HydrophobicContact CE2-CE1 4.17Å; Y229-F248 AromaticContact CE2-CZ 3.93Å; Y229-F248 HydrophobicContact CE2-CZ 3.93Å; Y229-F248 AromaticContact CG-CZ 3.89Å; Y229-F248 HydrophobicContact CG-CZ 3.89Å; Y229-F248 AromaticContact CZ-CE1 3.54Å; Y229-F248 AromaticContact CZ-CZ 3.69Å; Y229-W260 HydrophobicContact CD1-CB 4.17Å; Y229-W260 HydrophobicContact CD1-CD2 4.24Å; Y229-W260 AromaticContact CD1-CE3 3.93Å; Y229-W260 HydrophobicContact CD1-CE3 3.93Å; Y229-W260 HydrophobicContact CD1-CG 4.37Å; Y229-W260 HydrophobicContact CE1-CB 4.31Å; Y229-K262 PolarHBondContact OH-O 2.91Å; Y229-N265 HydrophobicContact CD1-CB 3.91Å; Y229-N265 VanDerWaalsContact CE1-CA 3.46Å; Y229-N265 HydrophobicContact CE1-CB 3.94Å; Y229-N265 WeakPolarHBondContact CE1-OD1 3.42Å; Y229-N265 PolarHBondContact OH-OD1 2.97Å
230T90.1Very high87.5Confident101 Ų10147.1 Ų47.162%0.6226%0.258SS*.EExtended strand (participates in β ladder)trans-123.3143.3-176.955.40000109T214 T228 W260T214-T230 HydrophobicContact CG2-CG2 4.18Å; T228-T230 HydrophobicContact CG2-CG2 4.15Å; T230-W260 WeakPolarHBondContact O-CH2 3.23Å
231G83.7Confident87.8Confident27 Ų2747.3 Ų47.328%0.27826%0.259SS..  trans155.6-28.4176.900000114.3R258G231-R258 VanDerWaalsContact O-CZ 3.23Å; G231-R258 PolarHBondContact O-NE 3.1Å; G231-R258 PolarHBondContact O-NH2 3.35Å
232H87.4Confident88.1Confident13 Ų1349.4 Ų49.46%0.0626%0.263CS..  trans-66.6143.4168.3-81.3-62.2000110.5I236 S250 S252 D254 T256 W260H232-I236 HydrophobicContact CB-CD1 3.89Å; H232-I236 HydrophobicContact CB-CG1 3.81Å; H232-S250 PolarHBondContact CD2-OG 3.49Å; H232-S250 PolarHBondContact NE2-OG 3.47Å; H232-S252 VanDerWaalsContact CE1-CB 3.43Å; H232-S252 WeakPolarHBondContact CE1-CB 3.46Å; H232-S252 WeakPolarHBondContact ND1-CB 3.47Å; H232-D254 VanDerWaalsContact CA-OD2 3.23Å; H232-D254 WeakPolarHBondContact CA-OD2 3.25Å; H232-D254 IonicContact CE1-OD1 3.73Å; H232-D254 IonicContact CE1-OD2 2.79Å; H232-D254 IonicContact CG-OD2 2.66Å; H232-D254 IonicContact ND1-OD1 3.22Å; H232-D254 PolarHBondContact ND1-OD1 3.08Å; H232-D254 IonicContact ND1-OD2 2.81Å; H232-D254 PolarHBondContact ND1-OD2 3.5Å; H232-T256 PolarHBondContact CE1-OG1 2.57Å; H232-T256 VanDerWaalsContact CE1-OG1 3.25Å; H232-T256 PolarHBondContact ND1-OG1 3.15Å; H232-W260 AromaticContact CD2-CZ2 3.99Å
233E85.2Confident88.3Confident88 Ų8849.5 Ų49.541%0.41127%0.269SS..SBendtrans-99.3-17-173.4-60.2-178.7-141.400112.8D254 R354E233-D254 HydrophobicContact CB-CB 4.08Å; E233-D254 PolarHBondContact N-OD2 2.88Å; E233-R354 IonicContact OE1-CZ 3.16Å; E233-R354 IonicContact OE1-NE 2.79Å; E233-R354 PolarHBondContact OE1-NE 2.82Å; E233-R354 IonicContact OE1-NH1 3.01Å; E233-R354 PolarHBondContact OE1-NH1 2.83Å; E233-R354 VanDerWaalsContact OE1-NH1 3.08Å; E233-R354 IonicContact OE1-NH2 2.62Å; E233-R354 PolarHBondContact OE1-NH2 2.92Å; E233-R354 IonicContact OE2-CZ 2.83Å; E233-R354 VanDerWaalsContact OE2-CZ 3.23Å; E233-R354 IonicContact OE2-NH1 3.54Å; E233-R354 PolarHBondContact OE2-NH1 2.83Å; E233-R354 VanDerWaalsContact OE2-NH1 3.12Å; E233-R354 IonicContact OE2-NH2 3.54Å; E233-R354 PolarHBondContact OE2-NH2 3.07Å
234H89.6Confident89.1Confident97 Ų9752.5 Ų52.545%0.44928%0.282SS..SBendtrans-139.1-168.7-179.8-67.2-56.5000110.4I236 S252 E253 D254H234-I236 PolarHBondContact O-N 2.84Å; H234-S252 PolarHBondContact O-OG 3.19Å; H234-E253 HydrophobicContact CB-CB 3.79Å; H234-D254 HydrophobicContact CB-CB 4.16Å
235F94.1Very high90.1Very high41 Ų4150.5 Ų50.518%0.1826%0.264CS..  trans-59138.2-172.2-59.1-13.3000111.7N211 F237 S252 E253N211-F235 VanDerWaalsContact CA-CD1 3.49Å; N211-F235 HydrophobicContact CB-CB 4.46Å; N211-F235 HydrophobicContact CB-CD1 3.53Å; N211-F235 HydrophobicContact CB-CD2 4.42Å; N211-F235 HydrophobicContact CB-CE1 3.74Å; N211-F235 HydrophobicContact CB-CG 3.89Å; N211-F235 HydrophobicContact CB-CZ 4.28Å; N211-F235 WeakPolarHBondContact O-CD1 3.41Å; N211-F235 WeakPolarHBondContact O-CE1 3.44Å; F235-F237 HydrophobicContact CB-CE1 4.1Å; F235-F237 HydrophobicContact CB-CE2 4.1Å; F235-F237 HydrophobicContact CB-CZ 3.71Å; F235-F237 HydrophobicContact CD2-CZ 4.21Å; F235-F237 HydrophobicContact CG-CZ 4.49Å; F235-S252 CarbonylContact O-C 3.59Å; F235-S252 WeakPolarHBondContact O-CA 3.34Å; F235-S252 VanDerWaalsContact O-CB 3.3Å; F235-S252 WeakPolarHBondContact O-CB 3.24Å; F235-S252 PolarHBondContact O-OG 3.47Å; F235-E253 HydrophobicContact CB-CB 4.43Å; F235-E253 WeakPolarHBondContact CD2-OE2 3.35Å; F235-E253 WeakPolarHBondContact CG-OE2 3.3Å; F235-E253 PolarHBondContact O-N 2.73Å
236I96.7Very high90.6Very high1 Ų153.2 Ų53.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-103.9116.8175.8-48.9174.8000107.3R196 C209 S210 I215 H232 H234 G251R196-I236 VanDerWaalsContact CB-O 3.29Å; R196-I236 WeakPolarHBondContact CB-O 3.44Å; C209-I236 HydrophobicContact CB-CB 3.86Å; C209-I236 HydrophobicContact CB-CG2 3.53Å; S210-I236 PolarHBondContact O-N 3.01Å; I215-I236 HydrophobicContact CD1-CD1 4.18Å; I215-I236 HydrophobicContact CG1-CD1 3.58Å; H232-I236 HydrophobicContact CB-CD1 3.89Å; H232-I236 HydrophobicContact CB-CG1 3.81Å; H234-I236 PolarHBondContact O-N 2.84Å; I236-G251 WeakPolarHBondContact CG2-O 3.37Å
237F96.5Very high91.1Very high16 Ų1650.7 Ų50.77%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-95.5-26.3-173.9-62.1-73.8000113.3R196 F235 G251 E253 T277 W279 F477R196-F237 VanDerWaalsContact CZ-CD1 3.41Å; R196-F237 VanDerWaalsContact NH1-CE1 3.3Å; R196-F237 VanDerWaalsContact NH2-CE1 3.27Å; F235-F237 HydrophobicContact CB-CE1 4.1Å; F235-F237 HydrophobicContact CB-CE2 4.1Å; F235-F237 HydrophobicContact CB-CZ 3.71Å; F235-F237 HydrophobicContact CD2-CZ 4.21Å; F235-F237 HydrophobicContact CG-CZ 4.49Å; F237-G251 PolarHBondContact N-O 3.15Å; F237-E253 HydrophobicContact CE2-CB 3.65Å; F237-E253 HydrophobicContact CE2-CG 4.11Å; F237-E253 HydrophobicContact CZ-CB 4.2Å; F237-E253 HydrophobicContact CZ-CG 4.37Å; F237-T277 HydrophobicContact CD2-CG2 3.5Å; F237-T277 HydrophobicContact CE2-CG2 3.22Å; F237-T277 HydrophobicContact CZ-CG2 4.13Å; F237-W279 HydrophobicContact CD1-CE3 4.2Å; F237-W279 AromaticContact CD1-CZ3 3.95Å; F237-W279 HydrophobicContact CD1-CZ3 3.95Å; F237-W279 HydrophobicContact CD2-CE3 4.13Å; F237-W279 HydrophobicContact CD2-CZ3 4.08Å; F237-W279 HydrophobicContact CE1-CE3 4.39Å; F237-W279 AromaticContact CE1-CZ3 3.69Å; F237-W279 HydrophobicContact CE1-CZ3 3.69Å; F237-W279 HydrophobicContact CE2-CE3 4.33Å; F237-W279 HydrophobicContact CE2-CH2 4.48Å; F237-W279 AromaticContact CE2-CZ3 3.83Å; F237-W279 HydrophobicContact CE2-CZ3 3.83Å; F237-W279 HydrophobicContact CG-CE3 4.06Å; F237-W279 HydrophobicContact CG-CZ3 4.14Å; F237-W279 HydrophobicContact CZ-CE3 4.47Å; F237-W279 HydrophobicContact CZ-CH2 4.28Å; F237-W279 AromaticContact CZ-CZ3 3.64Å; F237-W279 HydrophobicContact CZ-CZ3 3.64Å; F237-F477 HydrophobicContact CD1-CE2 4.32Å
238S96.7Very high91.4Very high22 Ų2247.1 Ų47.115%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-146.8147.6-171.3-173.50000111.8S250 G251 W279 V281S238-S250 VanDerWaalsContact O-CA 3.29Å; S238-S250 WeakPolarHBondContact O-CA 3.23Å; S238-G251 PolarHBondContact O-N 2.77Å; S238-W279 WeakPolarHBondContact CB-O 3.5Å; S238-V281 PolarHBondContact OG-N 3.22Å
239I97.4Very high91.6Very high13 Ų1344.8 Ų44.87%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-138.3137.7176-179.3159.3000108.4Y207 I215 F248 A249Y207-I239 VanDerWaalsContact CB-CD1 3.49Å; Y207-I239 HydrophobicContact CG-CD1 4.05Å; I215-I239 HydrophobicContact CD1-CD1 4.41Å; I215-I239 HydrophobicContact CG2-CD1 3.52Å; I239-F248 HydrophobicContact CD1-CD2 3.76Å; I239-F248 HydrophobicContact CD1-CE2 3.84Å; I239-F248 HydrophobicContact CG1-CD2 4.03Å; I239-A249 WeakPolarHBondContact CA-O 3.2Å
240S96.8Very high91.9Very high12 Ų1244.7 Ų44.78%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-145.7145.4178.6-172.40000111.2F248 A249 V281 V282 I283S240-F248 WeakPolarHBondContact O-CA 3.47Å; S240-F248 WeakPolarHBondContact O-CB 3.43Å; S240-A249 PolarHBondContact N-O 2.93Å; S240-A249 PolarHBondContact O-N 3.29Å; S240-V281 VanDerWaalsContact CB-O 3.25Å; S240-V281 WeakPolarHBondContact CB-O 3.43Å; S240-V282 WeakPolarHBondContact OG-CA 3.24Å; S240-I283 WeakPolarHBondContact O-CD1 3.34Å; S240-I283 PolarHBondContact OG-N 2.95Å
241S94.2Very high92.2Very high4 Ų439.9 Ų39.93%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-152.1177.8-177.51700000108.8Y199 K262Y199-S241 VanDerWaalsContact CE2-O 3.25Å; Y199-S241 WeakPolarHBondContact CE2-O 3.33Å; Y199-S241 VanDerWaalsContact CZ-C 3.42Å; Y199-S241 PolarHBondContact OH-O 3.47Å; S241-K262 WeakPolarHBondContact OG-CE 3.47Å; S241-K262 PolarHBondContact OG-NZ 3.25Å; S241-K262 VanDerWaalsContact OG-NZ 3.1Å
242R89.7Confident92.7Very high92 Ų9238.6 Ų38.635%0.34720%0.195SC..  trans-136.9151.3159.7-56.7-171.776.4-152.45.4108.6Y199 T244 L245 K262 I283 S285Y199-R242 WeakPolarHBondContact OH-CA 3.39Å; Y199-R242 PolarHBondContact OH-N 2.85Å; R242-T244 VanDerWaalsContact C-N 3.28Å; R242-T244 PolarHBondContact O-N 2.79Å; R242-L245 HydrophobicContact CB-CD1 3.9Å; R242-L245 HydrophobicContact CB-CG 4.09Å; R242-L245 HydrophobicContact CG-CD1 4.08Å; R242-L245 PolarHBondContact O-N 3.05Å; R242-K262 PolarHBondContact O-NZ 3.32Å; R242-I283 HydrophobicContact CG-CB 4.48Å; R242-I283 HydrophobicContact CG-CG2 4.36Å; R242-S285 PolarHBondContact NH1-O 2.93Å
243E80.3Confident93Very high143 Ų14338.3 Ų38.367%0.66819%0.194SC*.THydrogen-bonded Turntrans-58.3-40.7-177.1-64.1-167.6157.800112.4L245E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.4Å
244T84.2Confident93.1Very high119 Ų11934.3 Ų34.373%0.7318%0.176SC*.THydrogen-bonded Turntrans-75.7-10-176.355.70000114.8R242R242-T244 VanDerWaalsContact C-N 3.28Å; R242-T244 PolarHBondContact O-N 2.79Å
245L90Very high93.1Very high33 Ų3330.4 Ų30.417%0.17316%0.158CC..  trans-94.7139.9-176.4-64176.1000111.3R242 E243 Y247 K262 I283R242-L245 HydrophobicContact CB-CD1 3.9Å; R242-L245 HydrophobicContact CB-CG 4.09Å; R242-L245 HydrophobicContact CG-CD1 4.08Å; R242-L245 PolarHBondContact O-N 3.05Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.4Å; L245-Y247 HydrophobicContact CB-CD1 4.46Å; L245-Y247 HydrophobicContact CB-CE1 4.29Å; L245-Y247 HydrophobicContact CD1-CE2 4.11Å; L245-Y247 HydrophobicContact CD2-CE1 4.13Å; L245-Y247 PolarHBondContact O-N 3.4Å; L245-K262 WeakPolarHBondContact O-CD 3.31Å; L245-K262 WeakPolarHBondContact O-CE 3.26Å; L245-K262 PolarHBondContact O-NZ 3.37Å; L245-I283 HydrophobicContact CD1-CG2 3.57Å
246P91.8Very high93.1Very high85 Ų8528.8 Ų28.855%0.55215%0.151SC*.SBendtrans-77.72.9176.831.8-33.6000113.2K262P246-K262 PolarHBondContact O-N 2.94Å
247Y94Very high93.1Very high31 Ų3128.7 Ų28.712%0.12215%0.15CC..EExtended strand (participates in β ladder)trans-136.3166.2-177.161.6-93.9000112.4F2 L245 V259 W260 K262 I283F2-Y247 HydrophobicContact CE2-CE2 4.18Å; F2-Y247 AromaticContact CZ-CE2 3.87Å; F2-Y247 HydrophobicContact CZ-CE2 3.87Å; F2-Y247 AromaticContact CZ-CZ 3.83Å; L245-Y247 HydrophobicContact CB-CD1 4.46Å; L245-Y247 HydrophobicContact CB-CE1 4.29Å; L245-Y247 HydrophobicContact CD1-CE2 4.11Å; L245-Y247 HydrophobicContact CD2-CE1 4.13Å; L245-Y247 PolarHBondContact O-N 3.4Å; Y247-V259 HydrophobicContact CD2-CG1 3.69Å; Y247-V259 HydrophobicContact CE2-CG1 4.48Å; Y247-V259 HydrophobicContact CG-CG1 3.97Å; Y247-W260 CarbonylContact C-O 3.51Å; Y247-W260 WeakPolarHBondContact CA-O 3.48Å; Y247-W260 WeakPolarHBondContact CB-O 3.4Å; Y247-K262 WeakPolarHBondContact O-CE 3.23Å; Y247-I283 HydrophobicContact CD2-CD1 4.15Å; Y247-I283 HydrophobicContact CE2-CD1 3.98Å
248F96.1Very high93.1Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-136.1167.6168.665.6-89.3000110.2Y207 I215 Y229 I239 S240 V259 W260 K262Y207-F248 HydrophobicContact CE1-CD1 4.35Å; Y207-F248 AromaticContact CE1-CE1 3.89Å; Y207-F248 HydrophobicContact CE1-CE1 3.89Å; Y207-F248 HydrophobicContact CE1-CZ 4.28Å; I215-F248 HydrophobicContact CD1-CE2 3.86Å; I215-F248 HydrophobicContact CG2-CE2 4.06Å; I215-F248 HydrophobicContact CG2-CZ 4.3Å; Y229-F248 HydrophobicContact CD1-CE1 4.07Å; Y229-F248 AromaticContact CD1-CZ 3.62Å; Y229-F248 HydrophobicContact CD1-CZ 3.62Å; Y229-F248 AromaticContact CD2-CZ 3.99Å; Y229-F248 HydrophobicContact CD2-CZ 3.99Å; Y229-F248 AromaticContact CE1-CE1 3.44Å; Y229-F248 HydrophobicContact CE1-CE1 3.44Å; Y229-F248 VanDerWaalsContact CE1-CE1 3.44Å; Y229-F248 AromaticContact CE1-CZ 3.48Å; Y229-F248 HydrophobicContact CE1-CZ 3.48Å; Y229-F248 VanDerWaalsContact CE1-CZ 3.48Å; Y229-F248 HydrophobicContact CE2-CE1 4.17Å; Y229-F248 AromaticContact CE2-CZ 3.93Å; Y229-F248 HydrophobicContact CE2-CZ 3.93Å; Y229-F248 AromaticContact CG-CZ 3.89Å; Y229-F248 HydrophobicContact CG-CZ 3.89Å; Y229-F248 AromaticContact CZ-CE1 3.54Å; Y229-F248 AromaticContact CZ-CZ 3.69Å; I239-F248 HydrophobicContact CD1-CD2 3.76Å; I239-F248 HydrophobicContact CD1-CE2 3.84Å; I239-F248 HydrophobicContact CG1-CD2 4.03Å; S240-F248 WeakPolarHBondContact O-CA 3.47Å; S240-F248 WeakPolarHBondContact O-CB 3.43Å; F248-V259 CarbonylContact O-C 3.57Å; F248-V259 WeakPolarHBondContact O-CA 3.32Å; F248-W260 HydrophobicContact CD1-CB 3.96Å; F248-W260 HydrophobicContact CD2-CB 4.15Å; F248-W260 AromaticContact CD2-CD1 3.69Å; F248-W260 HydrophobicContact CD2-CG 4.21Å; F248-W260 HydrophobicContact CE1-CB 3.54Å; F248-W260 HydrophobicContact CE1-CG 4.29Å; F248-W260 HydrophobicContact CE2-CB 3.72Å; F248-W260 AromaticContact CE2-CD1 3.28Å; F248-W260 AromaticContact CE2-CG 3.6Å; F248-W260 HydrophobicContact CE2-CG 3.6Å; F248-W260 HydrophobicContact CG-CB 4.26Å; F248-W260 HydrophobicContact CZ-CB 3.41Å; F248-W260 VanDerWaalsContact CZ-CB 3.41Å; F248-W260 AromaticContact CZ-CD1 3.85Å; F248-W260 AromaticContact CZ-CG 3.66Å; F248-W260 HydrophobicContact CZ-CG 3.66Å; F248-W260 PolarHBondContact N-O 2.92Å; F248-W260 PolarHBondContact O-N 2.57Å; F248-K262 HydrophobicContact CD1-CG 3.88Å; F248-K262 HydrophobicContact CE1-CG 4.49Å
249A97.5Very high93.1Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-124.8149.6-18000000111.4I239 S240 V257 R258 V281 I283 I289I239-A249 WeakPolarHBondContact CA-O 3.2Å; S240-A249 PolarHBondContact N-O 2.93Å; S240-A249 PolarHBondContact O-N 3.29Å; A249-V257 HydrophobicContact CB-CG1 4.44Å; A249-R258 CarbonylContact C-O 3.54Å; A249-R258 VanDerWaalsContact CA-O 3.23Å; A249-R258 WeakPolarHBondContact CA-O 3.47Å; A249-V281 HydrophobicContact CB-CG2 3.97Å; A249-I283 HydrophobicContact CB-CD1 3.99Å; A249-I283 HydrophobicContact CB-CG1 4.17Å; A249-I289 HydrophobicContact CB-CD1 4.07Å; A249-I289 HydrophobicContact CB-CG2 4.37Å
250S97.6Very high92.9Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-134.5144.6175.1560000111.6I215 H232 S238 V257 R258 W260I215-S250 VanDerWaalsContact CD1-CB 3.45Å; I215-S250 WeakPolarHBondContact CD1-OG 3.29Å; H232-S250 PolarHBondContact CD2-OG 3.49Å; H232-S250 PolarHBondContact NE2-OG 3.47Å; S238-S250 VanDerWaalsContact O-CA 3.29Å; S238-S250 WeakPolarHBondContact O-CA 3.23Å; S250-V257 CarbonylContact O-C 3.49Å; S250-V257 WeakPolarHBondContact O-CA 3.16Å; S250-V257 WeakPolarHBondContact O-CG1 3.5Å; S250-R258 PolarHBondContact N-O 3.36Å; S250-R258 PolarHBondContact O-N 3.47Å; S250-W260 PolarHBondContact OG-NE1 3.26Å
251G96.7Very high92.7Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-115.3140.4175.800000112I236 F237 S238I236-G251 WeakPolarHBondContact CG2-O 3.37Å; F237-G251 PolarHBondContact N-O 3.15Å; S238-G251 PolarHBondContact O-N 2.77Å
252S94.6Very high92.6Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-137163.6-170.9177.60000113.8H232 H234 F235 D254 T256 V278H232-S252 VanDerWaalsContact CE1-CB 3.43Å; H232-S252 WeakPolarHBondContact CE1-CB 3.46Å; H232-S252 WeakPolarHBondContact ND1-CB 3.47Å; H234-S252 PolarHBondContact O-OG 3.19Å; F235-S252 CarbonylContact O-C 3.59Å; F235-S252 WeakPolarHBondContact O-CA 3.34Å; F235-S252 VanDerWaalsContact O-CB 3.3Å; F235-S252 WeakPolarHBondContact O-CB 3.24Å; F235-S252 PolarHBondContact O-OG 3.47Å; S252-D254 VanDerWaalsContact CB-OD1 3.28Å; S252-D254 WeakPolarHBondContact CB-OD1 3.18Å; S252-D254 PolarHBondContact O-N 2.97Å; S252-D254 VanDerWaalsContact OG-CG 3.29Å; S252-D254 PolarHBondContact OG-N 2.77Å; S252-D254 VanDerWaalsContact OG-N 3.17Å; S252-D254 PolarHBondContact OG-OD1 3.12Å; S252-T256 PolarHBondContact N-O 2.83Å; S252-V278 PolarHBondContact O-N 3.25Å
253E92.3Very high92.4Very high8 Ų832 Ų324%0.03717%0.165CC..THydrogen-bonded Turntrans-65.5-14.5165.9-149.1-179.1155.900113.1H234 F235 F237 H255 T277 S473H234-E253 HydrophobicContact CB-CB 3.79Å; F235-E253 HydrophobicContact CB-CB 4.43Å; F235-E253 WeakPolarHBondContact CD2-OE2 3.35Å; F235-E253 WeakPolarHBondContact CG-OE2 3.3Å; F235-E253 PolarHBondContact O-N 2.73Å; F237-E253 HydrophobicContact CE2-CB 3.65Å; F237-E253 HydrophobicContact CE2-CG 4.11Å; F237-E253 HydrophobicContact CZ-CB 4.2Å; F237-E253 HydrophobicContact CZ-CG 4.37Å; E253-H255 PolarHBondContact O-N 3.41Å; E253-H255 VanDerWaalsContact O-N 3.09Å; E253-T277 HydrophobicContact CG-CG2 4.46Å; E253-S473 PolarHBondContact OE1-OG 2.63Å
254D87.8Confident92.5Very high4 Ų428.1 Ų28.12%0.02115%0.151CC..THydrogen-bonded Turntrans-77.815.1179.270.59.4000114.3H232 E233 H234 S252 T256 R272H232-D254 VanDerWaalsContact CA-OD2 3.23Å; H232-D254 WeakPolarHBondContact CA-OD2 3.25Å; H232-D254 IonicContact CE1-OD1 3.73Å; H232-D254 IonicContact CE1-OD2 2.79Å; H232-D254 IonicContact CG-OD2 2.66Å; H232-D254 IonicContact ND1-OD1 3.22Å; H232-D254 PolarHBondContact ND1-OD1 3.08Å; H232-D254 IonicContact ND1-OD2 2.81Å; H232-D254 PolarHBondContact ND1-OD2 3.5Å; E233-D254 HydrophobicContact CB-CB 4.08Å; E233-D254 PolarHBondContact N-OD2 2.88Å; H234-D254 HydrophobicContact CB-CB 4.16Å; S252-D254 VanDerWaalsContact CB-OD1 3.28Å; S252-D254 WeakPolarHBondContact CB-OD1 3.18Å; S252-D254 PolarHBondContact O-N 2.97Å; S252-D254 VanDerWaalsContact OG-CG 3.29Å; S252-D254 PolarHBondContact OG-N 2.77Å; S252-D254 VanDerWaalsContact OG-N 3.17Å; S252-D254 PolarHBondContact OG-OD1 3.12Å; D254-T256 VanDerWaalsContact CG-OG1 3.29Å; D254-T256 PolarHBondContact O-N 2.71Å; D254-T256 WeakPolarHBondContact OD1-CA 3.44Å; D254-T256 VanDerWaalsContact OD1-CB 3.27Å; D254-T256 WeakPolarHBondContact OD1-CB 3.5Å; D254-T256 PolarHBondContact OD1-N 3.34Å; D254-T256 PolarHBondContact OD1-OG1 3.43Å; D254-T256 PolarHBondContact OD2-OG1 3.45Å; D254-R272 PolarHBondContact O-NH1 2.89Å; D254-R272 VanDerWaalsContact O-NH1 3.09Å
255H90.1Very high92.3Very high15 Ų1525 Ų257%0.06913%0.13CC..SBendtrans67.311.1-176.2-37-71.4000114.4E253 R272 L273 C275 Q276 F324E253-H255 PolarHBondContact O-N 3.41Å; E253-H255 VanDerWaalsContact O-N 3.09Å; H255-R272 HydrophobicContact CB-CG 4.5Å; H255-R272 PolarHBondContact CD2-NH2 3.5Å; H255-L273 PolarHBondContact O-N 2.84Å; H255-C275 PolarHBondContact ND1-O 3.11Å; H255-Q276 PolarHBondContact CE1-O 2.86Å; H255-Q276 VanDerWaalsContact CE1-O 3.32Å; H255-Q276 PolarHBondContact CE1-OE1 2.79Å; H255-Q276 WeakPolarHBondContact ND1-CA 3.41Å; H255-Q276 PolarHBondContact ND1-O 3.43Å; H255-F324 HydrophobicContact CB-CE1 4.48Å
256T94Very high92.2Very high6 Ų629.8 Ų29.84%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-115.9153.1-176.177.20000114H232 S252 D254 T270 F271 R272H232-T256 PolarHBondContact CE1-OG1 2.57Å; H232-T256 VanDerWaalsContact CE1-OG1 3.25Å; H232-T256 PolarHBondContact ND1-OG1 3.15Å; S252-T256 PolarHBondContact N-O 2.83Å; D254-T256 VanDerWaalsContact CG-OG1 3.29Å; D254-T256 PolarHBondContact O-N 2.71Å; D254-T256 WeakPolarHBondContact OD1-CA 3.44Å; D254-T256 VanDerWaalsContact OD1-CB 3.27Å; D254-T256 WeakPolarHBondContact OD1-CB 3.5Å; D254-T256 PolarHBondContact OD1-N 3.34Å; D254-T256 PolarHBondContact OD1-OG1 3.43Å; D254-T256 PolarHBondContact OD2-OG1 3.45Å; T256-T270 HydrophobicContact CG2-CG2 3.83Å; T256-F271 CarbonylContact C-O 3.56Å; T256-F271 WeakPolarHBondContact CA-O 3.27Å; T256-F271 WeakPolarHBondContact CB-O 3.28Å; T256-R272 HydrophobicContact CG2-CG 4.5Å
257V97Very high92.2Very high0 Ų027.2 Ų27.20%013%0.133CC..EExtended strand (participates in β ladder)trans-115.2128158.7168.50000107.7A249 S250 F271 L273 V278 V281 I289A249-V257 HydrophobicContact CB-CG1 4.44Å; S250-V257 CarbonylContact O-C 3.49Å; S250-V257 WeakPolarHBondContact O-CA 3.16Å; S250-V257 WeakPolarHBondContact O-CG1 3.5Å; V257-F271 HydrophobicContact CB-CB 4.39Å; V257-F271 HydrophobicContact CB-CD2 3.73Å; V257-F271 HydrophobicContact CG1-CD2 3.6Å; V257-F271 HydrophobicContact CG1-CE2 4Å; V257-F271 PolarHBondContact N-O 3.33Å; V257-F271 WeakPolarHBondContact O-CD2 3.27Å; V257-F271 PolarHBondContact O-N 2.92Å; V257-L273 HydrophobicContact CB-CD1 4.15Å; V257-L273 HydrophobicContact CG2-CD1 3.66Å; V257-V278 HydrophobicContact CG2-CB 4.24Å; V257-V278 HydrophobicContact CG2-CG1 3.69Å; V257-V278 HydrophobicContact CG2-CG2 4.04Å; V257-V281 HydrophobicContact CG1-CG2 4.23Å; V257-I289 HydrophobicContact CG1-CG2 4.49Å
258R96Very high92.1Very high8 Ų828.7 Ų28.73%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-109.7138.5179.7-70.4178.9179.8-90.10.7110.2G231 A249 S250 W260 Q269 T270 D355G231-R258 VanDerWaalsContact O-CZ 3.23Å; G231-R258 PolarHBondContact O-NE 3.1Å; G231-R258 PolarHBondContact O-NH2 3.35Å; A249-R258 CarbonylContact C-O 3.54Å; A249-R258 VanDerWaalsContact CA-O 3.23Å; A249-R258 WeakPolarHBondContact CA-O 3.47Å; S250-R258 PolarHBondContact N-O 3.36Å; S250-R258 PolarHBondContact O-N 3.47Å; R258-W260 HydrophobicContact CB-CD2 4.46Å; R258-W260 HydrophobicContact CB-CZ2 3.65Å; R258-W260 HydrophobicContact CG-CZ2 4.12Å; R258-Q269 WeakPolarHBondContact CA-O 3.18Å; R258-T270 HydrophobicContact CG-CG2 3.98Å; R258-T270 PolarHBondContact NH1-OG1 3.06Å; R258-T270 VanDerWaalsContact NH1-OG1 3.11Å; R258-D355 PolarHBondContact NH1-O 3.03Å
259V96.5Very high92Very high3 Ų329.4 Ų29.42%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-105.2125.7172.6-177.30000108.2F2 Y247 F248 C267 L268 Q269 F271 I289F2-V259 HydrophobicContact CD2-CG2 4.4Å; F2-V259 HydrophobicContact CE2-CG1 4.43Å; F2-V259 HydrophobicContact CE2-CG2 4.47Å; Y247-V259 HydrophobicContact CD2-CG1 3.69Å; Y247-V259 HydrophobicContact CE2-CG1 4.48Å; Y247-V259 HydrophobicContact CG-CG1 3.97Å; F248-V259 CarbonylContact O-C 3.57Å; F248-V259 WeakPolarHBondContact O-CA 3.32Å; V259-C267 CarbonylContact O-C 3.51Å; V259-L268 HydrophobicContact CG1-CD1 4.46Å; V259-L268 PolarHBondContact O-N 3.09Å; V259-Q269 HydrophobicContact CB-CB 4.42Å; V259-Q269 PolarHBondContact N-O 2.94Å; V259-Q269 PolarHBondContact O-N 3.42Å; V259-F271 HydrophobicContact CG2-CE2 3.46Å; V259-F271 VanDerWaalsContact CG2-CE2 3.46Å; V259-F271 HydrophobicContact CG2-CZ 3.62Å; V259-I289 HydrophobicContact CG2-CD1 3.73Å
260W94.7Very high91.8Very high4 Ų430.4 Ų30.42%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-118.6137.4-171.1-54.591.2000111.1I215 Y229 T230 H232 Y247 F248 S250 R258 K266 C267I215-W260 HydrophobicContact CD1-CZ2 4.5Å; Y229-W260 HydrophobicContact CD1-CB 4.17Å; Y229-W260 HydrophobicContact CD1-CD2 4.24Å; Y229-W260 AromaticContact CD1-CE3 3.93Å; Y229-W260 HydrophobicContact CD1-CE3 3.93Å; Y229-W260 HydrophobicContact CD1-CG 4.37Å; Y229-W260 HydrophobicContact CE1-CB 4.31Å; T230-W260 WeakPolarHBondContact O-CH2 3.23Å; H232-W260 AromaticContact CD2-CZ2 3.99Å; Y247-W260 CarbonylContact C-O 3.51Å; Y247-W260 WeakPolarHBondContact CA-O 3.48Å; Y247-W260 WeakPolarHBondContact CB-O 3.4Å; F248-W260 HydrophobicContact CD1-CB 3.96Å; F248-W260 HydrophobicContact CD2-CB 4.15Å; F248-W260 AromaticContact CD2-CD1 3.69Å; F248-W260 HydrophobicContact CD2-CG 4.21Å; F248-W260 HydrophobicContact CE1-CB 3.54Å; F248-W260 HydrophobicContact CE1-CG 4.29Å; F248-W260 HydrophobicContact CE2-CB 3.72Å; F248-W260 AromaticContact CE2-CD1 3.28Å; F248-W260 AromaticContact CE2-CG 3.6Å; F248-W260 HydrophobicContact CE2-CG 3.6Å; F248-W260 HydrophobicContact CG-CB 4.26Å; F248-W260 HydrophobicContact CZ-CB 3.41Å; F248-W260 VanDerWaalsContact CZ-CB 3.41Å; F248-W260 AromaticContact CZ-CD1 3.85Å; F248-W260 AromaticContact CZ-CG 3.66Å; F248-W260 HydrophobicContact CZ-CG 3.66Å; F248-W260 PolarHBondContact N-O 2.92Å; F248-W260 PolarHBondContact O-N 2.57Å; S250-W260 PolarHBondContact OG-NE1 3.26Å; R258-W260 HydrophobicContact CB-CD2 4.46Å; R258-W260 HydrophobicContact CB-CZ2 3.65Å; R258-W260 HydrophobicContact CG-CZ2 4.12Å; W260-K266 WeakPolarHBondContact CA-O 3.22Å; W260-C267 HydrophobicContact CD2-CB 4.5Å; W260-C267 HydrophobicContact CE3-CB 3.78Å; W260-C267 HydrophobicContact CH2-CB 4.26Å; W260-C267 HydrophobicContact CZ3-CB 3.65Å
261E92.3Very high91.4Very high60 Ų6030.9 Ų30.928%0.2815%0.154SC..EExtended strand (participates in β ladder)trans-77.8124169.7-170.8171.4-133.600110E263 T264 N265 K266 L268E261-E263 PolarHBondContact O-N 3.2Å; E261-T264 VanDerWaalsContact OE2-CB 3.32Å; E261-T264 WeakPolarHBondContact OE2-CB 3.46Å; E261-T264 WeakPolarHBondContact OE2-CG2 2.95Å; E261-T264 PolarHBondContact OE2-OG1 2.81Å; E261-N265 PolarHBondContact O-N 3.13Å; E261-K266 PolarHBondContact N-O 3.02Å; E261-L268 HydrophobicContact CB-CD1 3.95Å; E261-L268 HydrophobicContact CB-CD2 3.93Å; E261-L268 HydrophobicContact CB-CG 3.86Å
262K90.6Very high91.1Very high17 Ų1733.6 Ų33.67%0.07416%0.164CC..THydrogen-bonded Turntrans-60.4-35.8-178.7-67.9-180179.4174.10112.2Y207 R227 Y229 S241 R242 L245 P246 Y247 F248Y207-K262 WeakPolarHBondContact OH-CG 3.32Å; R227-K262 PolarHBondContact NH1-O 3.31Å; Y229-K262 PolarHBondContact OH-O 2.91Å; S241-K262 WeakPolarHBondContact OG-CE 3.47Å; S241-K262 PolarHBondContact OG-NZ 3.25Å; S241-K262 VanDerWaalsContact OG-NZ 3.1Å; R242-K262 PolarHBondContact O-NZ 3.32Å; L245-K262 WeakPolarHBondContact O-CD 3.31Å; L245-K262 WeakPolarHBondContact O-CE 3.26Å; L245-K262 PolarHBondContact O-NZ 3.37Å; P246-K262 PolarHBondContact O-N 2.94Å; Y247-K262 WeakPolarHBondContact O-CE 3.23Å; F248-K262 HydrophobicContact CD1-CG 3.88Å; F248-K262 HydrophobicContact CE1-CG 4.49Å
263E86.6Confident90.9Very high137 Ų13733.6 Ų33.664%0.6416%0.164SC*.THydrogen-bonded Turntrans-88-19.2-170.1-69.2-56.2154.600115.5R227 E261R227-E263 PolarHBondContact NH1-O 2.89Å; R227-E263 IonicContact NH2-OE2 3.08Å; E261-E263 PolarHBondContact O-N 3.2Å
264T82.4Confident90.6Very high61 Ų6133.8 Ų33.837%0.37417%0.166SC..THydrogen-bonded Turntrans-124.5-0.8-175.672.10000114.6E261 K266E261-T264 VanDerWaalsContact OE2-CB 3.32Å; E261-T264 WeakPolarHBondContact OE2-CB 3.46Å; E261-T264 WeakPolarHBondContact OE2-CG2 2.95Å; E261-T264 PolarHBondContact OE2-OG1 2.81Å; T264-K266 PolarHBondContact O-N 2.95Å; T264-K266 VanDerWaalsContact O-N 3.15Å; T264-K266 WeakPolarHBondContact OG1-CB 3.32Å; T264-K266 WeakPolarHBondContact OG1-CD 3.35Å; T264-K266 VanDerWaalsContact OG1-CG 3.24Å; T264-K266 WeakPolarHBondContact OG1-CG 3.14Å; T264-K266 PolarHBondContact OG1-N 3.17Å
265N80.1Confident90.5Very high52 Ų5233.7 Ų33.728%0.27817%0.166SC..  trans58.913.3-171.5-52.5-23.6000114.9R227 Y229 E261R227-N265 WeakPolarHBondContact CD-OD1 2.76Å; Y229-N265 HydrophobicContact CD1-CB 3.91Å; Y229-N265 VanDerWaalsContact CE1-CA 3.46Å; Y229-N265 HydrophobicContact CE1-CB 3.94Å; Y229-N265 WeakPolarHBondContact CE1-OD1 3.42Å; Y229-N265 PolarHBondContact OH-OD1 2.97Å; E261-N265 PolarHBondContact O-N 3.13Å
266K87.6Confident90.2Very high135 Ų13536.9 Ų36.959%0.58718%0.181SC*.  trans-80.4137.5179.6-68.6177.5-177.2174.80110.6W260 E261 T264 L268W260-K266 WeakPolarHBondContact CA-O 3.22Å; E261-K266 PolarHBondContact N-O 3.02Å; T264-K266 PolarHBondContact O-N 2.95Å; T264-K266 VanDerWaalsContact O-N 3.15Å; T264-K266 WeakPolarHBondContact OG1-CB 3.32Å; T264-K266 WeakPolarHBondContact OG1-CD 3.35Å; T264-K266 VanDerWaalsContact OG1-CG 3.24Å; T264-K266 WeakPolarHBondContact OG1-CG 3.14Å; T264-K266 PolarHBondContact OG1-N 3.17Å; K266-L268 PolarHBondContact O-N 3.17Å
267C91.6Very high90Very high30 Ų3036.8 Ų36.820%0.20318%0.18CC..EExtended strand (participates in β ladder)trans-70.9113.1161.9-172.80000107.7V259 W260 T270V259-C267 CarbonylContact O-C 3.51Å; W260-C267 HydrophobicContact CD2-CB 4.5Å; W260-C267 HydrophobicContact CE3-CB 3.78Å; W260-C267 HydrophobicContact CH2-CB 4.26Å; W260-C267 HydrophobicContact CZ3-CB 3.65Å; C267-T270 PolarHBondContact SG-OG1 2.92Å; C267-T270 VanDerWaalsContact SG-OG1 3.41Å
268L92.3Very high89.9Confident62 Ų6236.8 Ų36.833%0.32518%0.18SC..EExtended strand (participates in β ladder)trans-74.9-41.8176.8-66.4176.3000110.9V259 E261 K266V259-L268 HydrophobicContact CG1-CD1 4.46Å; V259-L268 PolarHBondContact O-N 3.09Å; E261-L268 HydrophobicContact CB-CD1 3.95Å; E261-L268 HydrophobicContact CB-CD2 3.93Å; E261-L268 HydrophobicContact CB-CG 3.86Å; K266-L268 PolarHBondContact O-N 3.17Å
269Q93.4Very high89.9Confident16 Ų1636.9 Ų36.98%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-154.5142.1-177.4-173.41740.900111.5M1 F2 R258 V259 F271M1-Q269 HydrophobicContact CE-CG 3.82Å; M1-Q269 HydrophobicContact CG-CG 4.36Å; F2-Q269 PolarHBondContact O-NE2 3.16Å; R258-Q269 WeakPolarHBondContact CA-O 3.18Å; V259-Q269 HydrophobicContact CB-CB 4.42Å; V259-Q269 PolarHBondContact N-O 2.94Å; V259-Q269 PolarHBondContact O-N 3.42Å; Q269-F271 HydrophobicContact CG-CD1 4.22Å; Q269-F271 HydrophobicContact CG-CE1 3.8Å; Q269-F271 HydrophobicContact CG-CZ 4.34Å
270T93.7Very high89.9Confident20 Ų2037 Ų3712%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-114.5119.5171.7-51.40000110.2T256 R258 C267 D355T256-T270 HydrophobicContact CG2-CG2 3.83Å; R258-T270 HydrophobicContact CG-CG2 3.98Å; R258-T270 PolarHBondContact NH1-OG1 3.06Å; R258-T270 VanDerWaalsContact NH1-OG1 3.11Å; C267-T270 PolarHBondContact SG-OG1 2.92Å; C267-T270 VanDerWaalsContact SG-OG1 3.41Å; T270-D355 VanDerWaalsContact CB-OD2 3.31Å; T270-D355 WeakPolarHBondContact CB-OD2 3.43Å; T270-D355 PolarHBondContact N-OD2 3.31Å; T270-D355 PolarHBondContact OG1-O 3.3Å; T270-D355 PolarHBondContact OG1-OD2 3.3Å
271F89.4Confident90.1Very high11 Ų1137.1 Ų37.15%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-90.6130.9167.4-44-59.2000108.8F2 T256 V257 V259 Q269 I289 F301F2-F271 HydrophobicContact CB-CE1 3.33Å; F2-F271 HydrophobicContact CB-CE2 4.48Å; F2-F271 HydrophobicContact CB-CZ 3.26Å; F2-F271 AromaticContact CD2-CZ 3.98Å; F2-F271 HydrophobicContact CD2-CZ 3.98Å; F2-F271 HydrophobicContact CG-CE1 4.31Å; F2-F271 AromaticContact CG-CZ 3.75Å; F2-F271 HydrophobicContact CG-CZ 3.75Å; T256-F271 CarbonylContact C-O 3.56Å; T256-F271 WeakPolarHBondContact CA-O 3.27Å; T256-F271 WeakPolarHBondContact CB-O 3.28Å; V257-F271 HydrophobicContact CB-CB 4.39Å; V257-F271 HydrophobicContact CB-CD2 3.73Å; V257-F271 HydrophobicContact CG1-CD2 3.6Å; V257-F271 HydrophobicContact CG1-CE2 4Å; V257-F271 PolarHBondContact N-O 3.33Å; V257-F271 WeakPolarHBondContact O-CD2 3.27Å; V257-F271 PolarHBondContact O-N 2.92Å; V259-F271 HydrophobicContact CG2-CE2 3.46Å; V259-F271 VanDerWaalsContact CG2-CE2 3.46Å; V259-F271 HydrophobicContact CG2-CZ 3.62Å; Q269-F271 HydrophobicContact CG-CD1 4.22Å; Q269-F271 HydrophobicContact CG-CE1 3.8Å; Q269-F271 HydrophobicContact CG-CZ 4.34Å; F271-I289 HydrophobicContact CE2-CD1 4.06Å; F271-I289 HydrophobicContact CZ-CD1 4.42Å; F271-F301 HydrophobicContact CD1-CD1 4.29Å
272R90.2Very high90.3Very high56 Ų5635 Ų3521%0.21118%0.175CC..EExtended strand (participates in β ladder)trans-96.4146.1163.2-162.7154.5177.790.7-0108.6D254 H255 T256 Y317 L321 E325D254-R272 PolarHBondContact O-NH1 2.89Å; D254-R272 VanDerWaalsContact O-NH1 3.09Å; H255-R272 HydrophobicContact CB-CG 4.5Å; H255-R272 PolarHBondContact CD2-NH2 3.5Å; T256-R272 HydrophobicContact CG2-CG 4.5Å; R272-Y317 PolarHBondContact O-OH 3.28Å; R272-L321 VanDerWaalsContact C-CD1 3.45Å; R272-L321 HydrophobicContact CB-CD1 4.12Å; R272-L321 WeakPolarHBondContact O-CD1 2.94Å; R272-E325 WeakPolarHBondContact CD-OE1 3.3Å; R272-E325 IonicContact NE-OE1 3.41Å
273L90.1Very high90.6Very high0 Ų034.5 Ų34.50%017%0.173CC..  trans-128.9143.2-177.8-61.3125.4000108.9H255 V257 C275 V278 R299 F301H255-L273 PolarHBondContact O-N 2.84Å; V257-L273 HydrophobicContact CB-CD1 4.15Å; V257-L273 HydrophobicContact CG2-CD1 3.66Å; L273-C275 PolarHBondContact O-N 2.88Å; L273-V278 HydrophobicContact CD1-CG2 3.52Å; L273-R299 HydrophobicContact CD2-CB 4.01Å; L273-R299 VanDerWaalsContact CD2-CD 3.44Å; L273-R299 HydrophobicContact CD2-CG 4.32Å; L273-F301 HydrophobicContact CD2-CE2 3.66Å; L273-F301 HydrophobicContact CD2-CZ 3.64Å; L273-F301 HydrophobicContact CG-CZ 4.49Å
274P86.5Confident90.9Very high13 Ų1328 Ų288%0.08414%0.143CC..SBendtrans-81.155.3179.634.7-35000111.4Y317 V320 F324P274-Y317 HydrophobicContact CG-CE2 4.35Å; P274-V320 HydrophobicContact CB-CG1 4.13Å; P274-V320 HydrophobicContact CG-CG1 4Å; P274-F324 HydrophobicContact CB-CB 3.65Å; P274-F324 HydrophobicContact CB-CD1 4.2Å; P274-F324 HydrophobicContact CB-CD2 4.14Å; P274-F324 HydrophobicContact CB-CG 3.74Å
275C85.7Confident91.3Very high2 Ų227.7 Ų27.71%0.01414%0.143CC..SBendtrans-138.2158.2177.162.60000109.9H255 L273 C293 D295 F324H255-C275 PolarHBondContact ND1-O 3.11Å; L273-C275 PolarHBondContact O-N 2.88Å; C275-C293 HydrophobicContact CB-CB 3.87Å; C275-D295 HydrophobicContact CB-CB 4.12Å; C275-F324 WeakPolarHBondContact O-CZ 3.2Å
276Q83.4Confident91.8Very high81 Ų8127.5 Ų27.538%0.37914%0.142SC..SBendtrans-68-44.8175.5-176.56233.700110.9H255 S294H255-Q276 PolarHBondContact CE1-O 2.86Å; H255-Q276 VanDerWaalsContact CE1-O 3.32Å; H255-Q276 PolarHBondContact CE1-OE1 2.79Å; H255-Q276 WeakPolarHBondContact ND1-CA 3.41Å; H255-Q276 PolarHBondContact ND1-O 3.43Å; Q276-S294 PolarHBondContact N-OG 3.48Å; Q276-S294 VanDerWaalsContact N-OG 3.12Å
277T90.4Very high92Very high4 Ų421.5 Ų21.53%0.02512%0.119CC..  trans-138.8142.3-173.1-55.70000111.7F237 E253 W279 S294F237-T277 HydrophobicContact CD2-CG2 3.5Å; F237-T277 HydrophobicContact CE2-CG2 3.22Å; F237-T277 HydrophobicContact CZ-CG2 4.13Å; E253-T277 HydrophobicContact CG-CG2 4.46Å; T277-W279 HydrophobicContact CG2-CD2 3.72Å; T277-W279 HydrophobicContact CG2-CE3 3.63Å; T277-W279 HydrophobicContact CG2-CG 4.41Å; T277-W279 HydrophobicContact CG2-CH2 3.53Å; T277-W279 HydrophobicContact CG2-CZ2 3.72Å; T277-W279 HydrophobicContact CG2-CZ3 3.54Å; T277-S294 PolarHBondContact N-OG 3.2Å; T277-S294 VanDerWaalsContact N-OG 3.07Å; T277-S294 PolarHBondContact O-N 3.06Å
278V95.3Very high92.2Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-99.7101.9165.5-171.50000108.6S252 V257 L273 C291S252-V278 PolarHBondContact O-N 3.25Å; V257-V278 HydrophobicContact CG2-CB 4.24Å; V257-V278 HydrophobicContact CG2-CG1 3.69Å; V257-V278 HydrophobicContact CG2-CG2 4.04Å; L273-V278 HydrophobicContact CD1-CG2 3.52Å; V278-C291 HydrophobicContact CG1-CB 4.09Å
279W95.8Very high92.4Very high10 Ų1017.1 Ų17.14%0.0389%0.094CC..EExtended strand (participates in β ladder)trans-73.2-40.9-175.5-65.7119.1000112.8D14 R16 F237 S238 T277 A292 P476 F477D14-W279 PolarHBondContact OD2-NE1 3.14Å; R16-W279 VanDerWaalsContact O-CB 3.31Å; R16-W279 WeakPolarHBondContact O-CB 3.3Å; F237-W279 HydrophobicContact CD1-CE3 4.2Å; F237-W279 AromaticContact CD1-CZ3 3.95Å; F237-W279 HydrophobicContact CD1-CZ3 3.95Å; F237-W279 HydrophobicContact CD2-CE3 4.13Å; F237-W279 HydrophobicContact CD2-CZ3 4.08Å; F237-W279 HydrophobicContact CE1-CE3 4.39Å; F237-W279 AromaticContact CE1-CZ3 3.69Å; F237-W279 HydrophobicContact CE1-CZ3 3.69Å; F237-W279 HydrophobicContact CE2-CE3 4.33Å; F237-W279 HydrophobicContact CE2-CH2 4.48Å; F237-W279 AromaticContact CE2-CZ3 3.83Å; F237-W279 HydrophobicContact CE2-CZ3 3.83Å; F237-W279 HydrophobicContact CG-CE3 4.06Å; F237-W279 HydrophobicContact CG-CZ3 4.14Å; F237-W279 HydrophobicContact CZ-CE3 4.47Å; F237-W279 HydrophobicContact CZ-CH2 4.28Å; F237-W279 AromaticContact CZ-CZ3 3.64Å; F237-W279 HydrophobicContact CZ-CZ3 3.64Å; S238-W279 WeakPolarHBondContact CB-O 3.5Å; T277-W279 HydrophobicContact CG2-CD2 3.72Å; T277-W279 HydrophobicContact CG2-CE3 3.63Å; T277-W279 HydrophobicContact CG2-CG 4.41Å; T277-W279 HydrophobicContact CG2-CH2 3.53Å; T277-W279 HydrophobicContact CG2-CZ2 3.72Å; T277-W279 HydrophobicContact CG2-CZ3 3.54Å; W279-A292 PolarHBondContact N-O 3.27Å; W279-P476 HydrophobicContact CH2-CB 4.08Å; W279-P476 HydrophobicContact CH2-CG 3.41Å; W279-P476 VanDerWaalsContact CH2-CG 3.41Å; W279-P476 HydrophobicContact CZ2-CB 4.11Å; W279-P476 HydrophobicContact CZ2-CG 3.56Å; W279-F477 HydrophobicContact CE3-CD2 4.35Å; W279-F477 AromaticContact CE3-CE2 3.48Å; W279-F477 HydrophobicContact CE3-CE2 3.48Å; W279-F477 VanDerWaalsContact CE3-CE2 3.48Å; W279-F477 HydrophobicContact CE3-CZ 4.18Å; W279-F477 HydrophobicContact CH2-CE2 4.39Å; W279-F477 AromaticContact CZ3-CD2 3.83Å; W279-F477 HydrophobicContact CZ3-CD2 3.83Å; W279-F477 AromaticContact CZ3-CE2 3.4Å; W279-F477 HydrophobicContact CZ3-CE2 3.4Å; W279-F477 VanDerWaalsContact CZ3-CE2 3.4Å; W279-F477 HydrophobicContact CZ3-CZ 4.47Å
280G96.2Very high92.6Very high6 Ų616.4 Ų16.46%0.0629%0.09CC..EExtended strand (participates in β ladder)trans-138.7141.8-174.400000111.7C291 A292G280-C291 CarbonylContact O-C 3.52Å; G280-C291 WeakPolarHBondContact O-CA 3.4Å; G280-A292 PolarHBondContact N-O 2.8Å; G280-A292 PolarHBondContact O-N 2.89Å
281V97.7Very high92.8Very high6 Ų615.4 Ų15.44%0.0368%0.084CC..EExtended strand (participates in β ladder)trans-12813917066.10000109.2S238 S240 A249 V257 I289 A290S238-V281 PolarHBondContact OG-N 3.22Å; S240-V281 VanDerWaalsContact CB-O 3.25Å; S240-V281 WeakPolarHBondContact CB-O 3.43Å; A249-V281 HydrophobicContact CB-CG2 3.97Å; V257-V281 HydrophobicContact CG1-CG2 4.23Å; V281-I289 HydrophobicContact CG2-CG2 3.47Å; V281-I289 VanDerWaalsContact CG2-CG2 3.47Å; V281-A290 WeakPolarHBondContact CA-O 3.44Å
282V97Very high93.1Very high16 Ų1614.9 Ų14.910%0.0978%0.082CC..EExtended strand (participates in β ladder)trans-134.9128.4173.564.20000110.5I18 Q20 L29 S240 I289 A290I18-V282 HydrophobicContact CD1-CG1 4.29Å; I18-V282 HydrophobicContact CG1-CG1 4.04Å; I18-V282 HydrophobicContact CG2-CB 4.47Å; I18-V282 HydrophobicContact CG2-CG1 4.04Å; Q20-V282 HydrophobicContact CB-CG2 4.49Å; L29-V282 HydrophobicContact CD2-CG1 3.91Å; S240-V282 WeakPolarHBondContact OG-CA 3.24Å; V282-I289 WeakPolarHBondContact O-CA 3.39Å; V282-A290 HydrophobicContact CG1-CB 3.84Å; V282-A290 PolarHBondContact N-O 3.16Å; V282-A290 PolarHBondContact O-N 2.87Å
283I96.2Very high93.3Very high7 Ų712.2 Ų12.24%0.0367%0.072CC..EExtended strand (participates in β ladder)trans-87.6113.5168.6-51.9-166.4000108.4S240 R242 L245 Y247 A249 I289S240-I283 WeakPolarHBondContact O-CD1 3.34Å; S240-I283 PolarHBondContact OG-N 2.95Å; R242-I283 HydrophobicContact CG-CB 4.48Å; R242-I283 HydrophobicContact CG-CG2 4.36Å; L245-I283 HydrophobicContact CD1-CG2 3.57Å; Y247-I283 HydrophobicContact CD2-CD1 4.15Å; Y247-I283 HydrophobicContact CE2-CD1 3.98Å; A249-I283 HydrophobicContact CB-CD1 3.99Å; A249-I283 HydrophobicContact CB-CG1 4.17Å; I283-I289 HydrophobicContact CG1-CG1 4.29Å
284M94.3Very high93.4Very high0 Ų013.2 Ų13.20%08%0.079CC..  trans-77.2169.1-176.9-64.1-167.6-63.100112.5Q20 L27 L29 F52 N286 G287 D288 I300Q20-M284 VanDerWaalsContact OE1-CA 3.29Å; L27-M284 HydrophobicContact CD2-CB 4.31Å; L27-M284 HydrophobicContact CD2-CE 4.12Å; L27-M284 HydrophobicContact CD2-SD 3.94Å; L27-M284 HydrophobicContact CG-SD 4.32Å; L29-M284 HydrophobicContact CD1-SD 3.65Å; L29-M284 HydrophobicContact CD2-CG 3.97Å; L29-M284 HydrophobicContact CD2-SD 3.51Å; L29-M284 VanDerWaalsContact CD2-SD 3.51Å; L29-M284 HydrophobicContact CG-SD 3.59Å; L29-M284 VanDerWaalsContact CG-SD 3.59Å; F52-M284 HydrophobicContact CE2-CE 3.94Å; F52-M284 HydrophobicContact CE2-SD 4.39Å; F52-M284 HydrophobicContact CZ-CE 3.87Å; F52-M284 HydrophobicContact CZ-SD 3.78Å; M284-N286 WeakPolarHBondContact CB-OD1 3.11Å; M284-N286 PolarHBondContact O-N 3.15Å; M284-G287 PolarHBondContact O-N 2.95Å; M284-D288 HydrophobicContact CE-CB 3.46Å; M284-D288 VanDerWaalsContact CE-CB 3.46Å; M284-D288 PolarHBondContact N-O 2.86Å; M284-I300 HydrophobicContact CE-CG2 3.89Å
285S91.4Very high93.3Very high55 Ų5515.2 Ų15.239%0.3859%0.089SC..THydrogen-bonded Turntrans-66.3-27.9-174.2640000113.4L27 R242 G287L27-S285 WeakPolarHBondContact CD1-OG 3.43Å; R242-S285 PolarHBondContact NH1-O 2.93Å; S285-G287 VanDerWaalsContact C-N 3.28Å
286N90.5Very high93.5Very high47 Ų4715.8 Ų15.825%0.2519%0.094SC..THydrogen-bonded Turntrans-81.7-1174.571.9-7.3000113.9R5 L27 M284 D288 R307R5-N286 PolarHBondContact NH1-ND2 3.37Å; L27-N286 HydrophobicContact CD2-CB 4.18Å; L27-N286 WeakPolarHBondContact CD2-ND2 3.43Å; M284-N286 WeakPolarHBondContact CB-OD1 3.11Å; M284-N286 PolarHBondContact O-N 3.15Å; N286-D288 PolarHBondContact ND2-OD2 3.26Å; N286-D288 VanDerWaalsContact OD1-CB 3.31Å; N286-D288 WeakPolarHBondContact OD1-CB 3.03Å; N286-D288 PolarHBondContact OD1-N 2.77Å; N286-R307 PolarHBondContact O-NH2 3.02Å
287G91.6Very high93.8Very high10 Ų1012.8 Ų12.810%0.1038%0.081CC..SBendtrans87.5-1.8-179.900000115.4F2 M284 S285F2-G287 VanDerWaalsContact CE1-O 3.32Å; F2-G287 WeakPolarHBondContact CE1-O 3.44Å; M284-G287 PolarHBondContact O-N 2.95Å; S285-G287 VanDerWaalsContact C-N 3.28Å
288D94.9Very high94Very high0 Ų012.7 Ų12.70%08%0.08CC..  trans-74.9155.9174.7-63.4-7.4000110.7R5 M284 N286 I300 F301 S302 R307R5-D288 WeakPolarHBondContact CD-OD2 3.38Å; R5-D288 IonicContact CZ-OD2 2.85Å; R5-D288 IonicContact NE-OD2 3.29Å; R5-D288 IonicContact NH1-OD2 3.93Å; R5-D288 PolarHBondContact NH1-OD2 2.73Å; M284-D288 HydrophobicContact CE-CB 3.46Å; M284-D288 VanDerWaalsContact CE-CB 3.46Å; M284-D288 PolarHBondContact N-O 2.86Å; N286-D288 PolarHBondContact ND2-OD2 3.26Å; N286-D288 VanDerWaalsContact OD1-CB 3.31Å; N286-D288 WeakPolarHBondContact OD1-CB 3.03Å; N286-D288 PolarHBondContact OD1-N 2.77Å; D288-I300 HydrophobicContact CB-CG2 4.15Å; D288-F301 CarbonylContact C-O 3.49Å; D288-F301 VanDerWaalsContact CA-O 3.27Å; D288-F301 WeakPolarHBondContact CA-O 3.41Å; D288-F301 VanDerWaalsContact CB-O 3.29Å; D288-F301 WeakPolarHBondContact CB-O 3.44Å; D288-S302 WeakPolarHBondContact OD1-CB 3.21Å; D288-S302 PolarHBondContact OD1-OG 2.97Å; D288-R307 IonicContact OD1-CZ 2.77Å; D288-R307 IonicContact OD1-NE 3.54Å; D288-R307 PolarHBondContact OD1-NE 3.06Å; D288-R307 VanDerWaalsContact OD1-NE 3.13Å; D288-R307 IonicContact OD1-NH2 2.91Å; D288-R307 PolarHBondContact OD1-NH2 2.95Å; D288-R307 IonicContact OD2-NE 3.23Å; D288-R307 PolarHBondContact OD2-NE 3.03Å
289I97.2Very high94Very high0 Ų013.6 Ų13.60%08%0.083CC..EExtended strand (participates in β ladder)trans-111.9122.6-179.5-58.4173.9000108.8F2 A249 V257 V259 F271 V281 V282 I283 I300 F301F2-I289 HydrophobicContact CD1-CD1 4.15Å; F2-I289 HydrophobicContact CD1-CG1 4.35Å; F2-I289 HydrophobicContact CD2-CD1 4.41Å; F2-I289 HydrophobicContact CE1-CD1 3.79Å; F2-I289 HydrophobicContact CE1-CG1 3.82Å; F2-I289 HydrophobicContact CE2-CD1 4.07Å; F2-I289 HydrophobicContact CG-CD1 4.45Å; F2-I289 HydrophobicContact CZ-CD1 3.75Å; F2-I289 HydrophobicContact CZ-CG1 4.11Å; A249-I289 HydrophobicContact CB-CD1 4.07Å; A249-I289 HydrophobicContact CB-CG2 4.37Å; V257-I289 HydrophobicContact CG1-CG2 4.49Å; V259-I289 HydrophobicContact CG2-CD1 3.73Å; F271-I289 HydrophobicContact CE2-CD1 4.06Å; F271-I289 HydrophobicContact CZ-CD1 4.42Å; V281-I289 HydrophobicContact CG2-CG2 3.47Å; V281-I289 VanDerWaalsContact CG2-CG2 3.47Å; V282-I289 WeakPolarHBondContact O-CA 3.39Å; I283-I289 HydrophobicContact CG1-CG1 4.29Å; I289-I300 CarbonylContact O-C 3.52Å; I289-I300 WeakPolarHBondContact O-CA 3.09Å; I289-F301 PolarHBondContact N-O 2.84Å; I289-F301 PolarHBondContact O-N 3Å
290A97.5Very high94Very high0 Ų013.1 Ų13.10%08%0.082CC..EExtended strand (participates in β ladder)trans-108.9137.7174.900000111.3I18 L29 V281 V282 R299 I300I18-A290 HydrophobicContact CD1-CB 3.8Å; L29-A290 HydrophobicContact CD1-CB 3.82Å; L29-A290 HydrophobicContact CD2-CB 4.21Å; V281-A290 WeakPolarHBondContact CA-O 3.44Å; V282-A290 HydrophobicContact CG1-CB 3.84Å; V282-A290 PolarHBondContact N-O 3.16Å; V282-A290 PolarHBondContact O-N 2.87Å; A290-R299 CarbonylContact C-O 3.57Å; A290-R299 WeakPolarHBondContact CA-O 3.43Å; A290-I300 HydrophobicContact CB-CG1 4.02Å
291C97.5Very high94Very high0 Ų013.1 Ų13.10%08%0.08CC..EExtended strand (participates in β ladder)trans-125.3124.2-171.1-510000110.7V278 G280 I298 R299V278-C291 HydrophobicContact CG1-CB 4.09Å; G280-C291 CarbonylContact O-C 3.52Å; G280-C291 WeakPolarHBondContact O-CA 3.4Å; C291-I298 VanDerWaalsContact O-CA 3.27Å; C291-I298 WeakPolarHBondContact O-CA 3.39Å; C291-R299 PolarHBondContact N-O 3.31Å; C291-R299 PolarHBondContact O-N 3.37Å
292A96.6Very high93.9Very high0 Ų012.8 Ų12.80%08%0.078CC..EExtended strand (participates in β ladder)trans-88.8117.5172.900000110V15 I18 W279 G280V15-A292 HydrophobicContact CB-CB 4.03Å; V15-A292 HydrophobicContact CG1-CB 3.75Å; V15-A292 CarbonylContact O-C 3.59Å; V15-A292 WeakPolarHBondContact O-CB 3.4Å; I18-A292 HydrophobicContact CB-CB 3.96Å; I18-A292 HydrophobicContact CG2-CB 3.77Å; W279-A292 PolarHBondContact N-O 3.27Å; G280-A292 PolarHBondContact N-O 2.8Å; G280-A292 PolarHBondContact O-N 2.89Å
293C93.1Very high93.7Very high0 Ų014.6 Ų14.60%09%0.091CC..EExtended strand (participates in β ladder)trans-112.4153.8-169.1-56.70000112V15 C275 D295 T297V15-C293 PolarHBondContact N-O 3.44Å; V15-C293 VanDerWaalsContact N-O 3.08Å; C275-C293 HydrophobicContact CB-CB 3.87Å; C293-D295 WeakPolarHBondContact CB-OD1 3.39Å; C293-D295 PolarHBondContact O-N 3.44Å; C293-T297 VanDerWaalsContact CB-O 3.29Å; C293-T297 WeakPolarHBondContact CB-O 3.25Å; C293-T297 PolarHBondContact N-O 3.24Å; C293-T297 VanDerWaalsContact N-O 3.1Å
294S92.4Very high93.5Very high20 Ų2016 Ų1614%0.1410%0.101CC..THydrogen-bonded Turntrans-67.3-13.4177.569.40000114.4D14 Q276 T277 A296D14-S294 VanDerWaalsContact CG-O 3.27Å; D14-S294 VanDerWaalsContact OD2-CA 3.29Å; D14-S294 WeakPolarHBondContact OD2-CA 3.47Å; D14-S294 WeakPolarHBondContact OD2-CB 3.37Å; Q276-S294 PolarHBondContact N-OG 3.48Å; Q276-S294 VanDerWaalsContact N-OG 3.12Å; T277-S294 PolarHBondContact N-OG 3.2Å; T277-S294 VanDerWaalsContact N-OG 3.07Å; T277-S294 PolarHBondContact O-N 3.06Å; S294-A296 VanDerWaalsContact C-N 3.26Å; S294-A296 PolarHBondContact O-N 2.71Å
295D84.8Confident93.4Very high55 Ų5521.9 Ų21.929%0.29413%0.133SC..THydrogen-bonded Turntrans-91.925-178.868.2-15.8000113.1C275 C293 T297 R299C275-D295 HydrophobicContact CB-CB 4.12Å; C293-D295 WeakPolarHBondContact CB-OD1 3.39Å; C293-D295 PolarHBondContact O-N 3.44Å; D295-T297 VanDerWaalsContact CG-OG1 3.3Å; D295-T297 PolarHBondContact O-N 3.09Å; D295-T297 PolarHBondContact OD1-N 3.06Å; D295-T297 PolarHBondContact OD1-OG1 2.84Å; D295-T297 PolarHBondContact OD2-OG1 3.27Å; D295-R299 IonicContact OD1-NH1 2.8Å; D295-R299 PolarHBondContact OD1-NH1 2.76Å; D295-R299 VanDerWaalsContact OD1-NH1 3.16Å; D295-R299 IonicContact OD2-CZ 3.32Å; D295-R299 IonicContact OD2-NH1 3.08Å; D295-R299 PolarHBondContact OD2-NH1 3.38Å; D295-R299 IonicContact OD2-NH2 3.77Å; D295-R299 PolarHBondContact OD2-NH2 2.78Å
296A88.7Confident93.2Very high15 Ų1527.6 Ų27.612%0.12415%0.154CC..SBendtrans62.715.2-176.900000115.7H11 S13 S294H11-A296 HydrophobicContact CB-CB 4.41Å; H11-A296 WeakPolarHBondContact O-CB 3.23Å; S13-A296 WeakPolarHBondContact O-CA 3.08Å; S13-A296 WeakPolarHBondContact O-CB 3.29Å; S294-A296 VanDerWaalsContact C-N 3.26Å; S294-A296 PolarHBondContact O-N 2.71Å
297T90Very high93.3Very high18 Ų1828.7 Ų28.711%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-114.9153.9179.873.40000113.3L8 V9 C293 D295 R299L8-T297 WeakPolarHBondContact O-CA 3.35Å; V9-T297 HydrophobicContact CG2-CG2 4.13Å; C293-T297 VanDerWaalsContact CB-O 3.29Å; C293-T297 WeakPolarHBondContact CB-O 3.25Å; C293-T297 PolarHBondContact N-O 3.24Å; C293-T297 VanDerWaalsContact N-O 3.1Å; D295-T297 VanDerWaalsContact CG-OG1 3.3Å; D295-T297 PolarHBondContact O-N 3.09Å; D295-T297 PolarHBondContact OD1-N 3.06Å; D295-T297 PolarHBondContact OD1-OG1 2.84Å; D295-T297 PolarHBondContact OD2-OG1 3.27Å; T297-R299 PolarHBondContact OG1-NH1 2.99Å; T297-R299 PolarHBondContact OG1-NH2 2.75Å
298I95.1Very high93.3Very high1 Ų130 Ų301%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-109.9133.5167.7-58.8163.2000107.9H7 L8 V15 I18 S31 W41 C291 I300H7-I298 CarbonylContact C-O 3.45Å; H7-I298 WeakPolarHBondContact CA-O 2.92Å; L8-I298 HydrophobicContact CB-CB 4.13Å; L8-I298 HydrophobicContact CD1-CB 4.39Å; L8-I298 HydrophobicContact CD1-CG2 4.3Å; L8-I298 HydrophobicContact CG-CB 4.48Å; L8-I298 PolarHBondContact N-O 3.41Å; L8-I298 PolarHBondContact O-N 3.23Å; V15-I298 HydrophobicContact CB-CG1 4.5Å; V15-I298 HydrophobicContact CG1-CD1 4.28Å; V15-I298 HydrophobicContact CG1-CG1 3.98Å; V15-I298 HydrophobicContact CG2-CG1 4.25Å; I18-I298 HydrophobicContact CD1-CD1 4.32Å; I18-I298 HydrophobicContact CD1-CG1 4.42Å; I18-I298 HydrophobicContact CD1-CG2 3.56Å; S31-I298 VanDerWaalsContact CB-CD1 3.5Å; S31-I298 WeakPolarHBondContact OG-CD1 3.17Å; W41-I298 HydrophobicContact CZ2-CD1 4Å; C291-I298 VanDerWaalsContact O-CA 3.27Å; C291-I298 WeakPolarHBondContact O-CA 3.39Å; I298-I300 HydrophobicContact CG2-CG1 4.47Å
299R95.2Very high93Very high19 Ų1930.8 Ų30.87%0.07216%0.164CC..EExtended strand (participates in β ladder)trans-118.9131.8177.9-67.4177.217791.75.2110I4 H7 L273 A290 C291 D295 T297 F301I4-R299 HydrophobicContact CD1-CB 4.14Å; H7-R299 HydrophobicContact CB-CG 4.39Å; L273-R299 HydrophobicContact CD2-CB 4.01Å; L273-R299 VanDerWaalsContact CD2-CD 3.44Å; L273-R299 HydrophobicContact CD2-CG 4.32Å; A290-R299 CarbonylContact C-O 3.57Å; A290-R299 WeakPolarHBondContact CA-O 3.43Å; C291-R299 PolarHBondContact N-O 3.31Å; C291-R299 PolarHBondContact O-N 3.37Å; D295-R299 IonicContact OD1-NH1 2.8Å; D295-R299 PolarHBondContact OD1-NH1 2.76Å; D295-R299 VanDerWaalsContact OD1-NH1 3.16Å; D295-R299 IonicContact OD2-CZ 3.32Å; D295-R299 IonicContact OD2-NH1 3.08Å; D295-R299 PolarHBondContact OD2-NH1 3.38Å; D295-R299 IonicContact OD2-NH2 3.77Å; D295-R299 PolarHBondContact OD2-NH2 2.78Å; T297-R299 PolarHBondContact OG1-NH1 2.99Å; T297-R299 PolarHBondContact OG1-NH2 2.75Å; R299-F301 HydrophobicContact CB-CE2 3.8Å; R299-F301 HydrophobicContact CB-CZ 4.3Å
300I96.6Very high92.5Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-114.8131-178.4-54.4177.9000108.6R5 Q6 L8 L29 F52 M284 D288 I289 A290 I298R5-I300 WeakPolarHBondContact CA-O 3.49Å; R5-I300 HydrophobicContact CB-CG2 4.27Å; R5-I300 WeakPolarHBondContact CB-O 3.2Å; R5-I300 HydrophobicContact CG-CG2 4.31Å; R5-I300 PolarHBondContact N-O 2.83Å; Q6-I300 PolarHBondContact N-O 2.95Å; Q6-I300 PolarHBondContact O-N 3.43Å; L8-I300 HydrophobicContact CD1-CD1 3.96Å; L8-I300 HydrophobicContact CG-CD1 4.38Å; L29-I300 HydrophobicContact CD1-CD1 3.74Å; L29-I300 HydrophobicContact CD1-CG1 4.39Å; F52-I300 HydrophobicContact CB-CD1 4.42Å; F52-I300 HydrophobicContact CD2-CD1 3.42Å; F52-I300 VanDerWaalsContact CD2-CD1 3.42Å; F52-I300 HydrophobicContact CE2-CD1 3.77Å; F52-I300 HydrophobicContact CG-CD1 3.99Å; M284-I300 HydrophobicContact CE-CG2 3.89Å; D288-I300 HydrophobicContact CB-CG2 4.15Å; I289-I300 CarbonylContact O-C 3.52Å; I289-I300 WeakPolarHBondContact O-CA 3.09Å; A290-I300 HydrophobicContact CB-CG1 4.02Å; I298-I300 HydrophobicContact CG2-CG1 4.47Å
301F96.2Very high92.1Very high6 Ų640 Ų403%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-117.7138.8178.5-61.9-95.9000110.5F2 E3 I4 F271 L273 D288 I289 R299 Y317F2-F301 HydrophobicContact CB-CB 4.33Å; F2-F301 HydrophobicContact CD1-CB 4.38Å; E3-F301 CarbonylContact O-C 3.47Å; E3-F301 WeakPolarHBondContact O-CA 3.08Å; I4-F301 HydrophobicContact CB-CD1 4.34Å; I4-F301 HydrophobicContact CB-CE1 4.15Å; I4-F301 HydrophobicContact CD1-CD1 4.35Å; I4-F301 HydrophobicContact CD1-CE1 3.9Å; I4-F301 HydrophobicContact CD1-CE2 4.26Å; I4-F301 HydrophobicContact CD1-CZ 3.84Å; F271-F301 HydrophobicContact CD1-CD1 4.29Å; L273-F301 HydrophobicContact CD2-CE2 3.66Å; L273-F301 HydrophobicContact CD2-CZ 3.64Å; L273-F301 HydrophobicContact CG-CZ 4.49Å; D288-F301 CarbonylContact C-O 3.49Å; D288-F301 VanDerWaalsContact CA-O 3.27Å; D288-F301 WeakPolarHBondContact CA-O 3.41Å; D288-F301 VanDerWaalsContact CB-O 3.29Å; D288-F301 WeakPolarHBondContact CB-O 3.44Å; I289-F301 PolarHBondContact N-O 2.84Å; I289-F301 PolarHBondContact O-N 3Å; R299-F301 HydrophobicContact CB-CE2 3.8Å; R299-F301 HydrophobicContact CB-CZ 4.3Å; F301-Y317 HydrophobicContact CE1-CE1 4.5Å
302S95Very high91.5Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-125.9142.6177.7-167.10000111.5F2 E3 D288 C304 R307F2-S302 WeakPolarHBondContact CA-O 3.13Å; E3-S302 PolarHBondContact N-O 2.91Å; E3-S302 PolarHBondContact O-N 3.4Å; D288-S302 WeakPolarHBondContact OD1-CB 3.21Å; D288-S302 PolarHBondContact OD1-OG 2.97Å; S302-C304 PolarHBondContact OG-N 3.01Å; S302-C304 VanDerWaalsContact OG-N 3.15Å; S302-R307 PolarHBondContact OG-NE 3.26Å
303S93.6Very high90.9Very high53 Ų5352.5 Ų52.537%0.37127%0.273SS..SBendtrans-90.1-10.1168.155.20000112.7
304C92.3Very high90.6Very high37 Ų3753.6 Ų53.625%0.2528%0.279CS..SBendtrans-88.9118.8179.8-179.50000110.3S302 E306 R307 K308S302-C304 PolarHBondContact OG-N 3.01Å; S302-C304 VanDerWaalsContact OG-N 3.15Å; C304-E306 PolarHBondContact O-N 3.49Å; C304-E306 VanDerWaalsContact O-N 3.14Å; C304-R307 VanDerWaalsContact CB-CZ 3.45Å; C304-R307 PolarHBondContact O-N 3.2Å; C304-R307 PolarHBondContact SG-NH1 3.05Å; C304-K308 PolarHBondContact O-N 3.07Å
305D90.2Very high90.2Very high123 Ų12355.1 Ų55.166%0.65829%0.29SS*.THydrogen-bonded Turntrans-57.6-31.7-174.3-65.7-36.6000113.6R307 K308D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 PolarHBondContact O-N 2.73Å; D305-K308 PolarHBondContact O-N 3.36Å; D305-K308 VanDerWaalsContact OD1-CE 3.22Å; D305-K308 WeakPolarHBondContact OD1-CE 3.33Å; D305-K308 IonicContact OD1-NZ 2.85Å; D305-K308 PolarHBondContact OD1-NZ 2.85Å
306E89Confident89.9Confident176 Ų17654.8 Ų54.882%0.82230%0.295SS*.THydrogen-bonded Turntrans-69-22.3178.1-61.6178.417800113.7C304C304-E306 PolarHBondContact O-N 3.49Å; C304-E306 VanDerWaalsContact O-N 3.14Å
307R91.2Very high89.7Confident70 Ų7055.5 Ų55.526%0.26429%0.294SS..THydrogen-bonded Turntrans-104.2-10.5-178.7-63.6-164.5-61.4-86.95.2113.2R5 N286 D288 S302 C304 D305R5-R307 WeakPolarHBondContact CB-O 3.46Å; R5-R307 WeakPolarHBondContact CG-O 3.19Å; N286-R307 PolarHBondContact O-NH2 3.02Å; D288-R307 IonicContact OD1-CZ 2.77Å; D288-R307 IonicContact OD1-NE 3.54Å; D288-R307 PolarHBondContact OD1-NE 3.06Å; D288-R307 VanDerWaalsContact OD1-NE 3.13Å; D288-R307 IonicContact OD1-NH2 2.91Å; D288-R307 PolarHBondContact OD1-NH2 2.95Å; D288-R307 IonicContact OD2-NE 3.23Å; D288-R307 PolarHBondContact OD2-NE 3.03Å; S302-R307 PolarHBondContact OG-NE 3.26Å; C304-R307 VanDerWaalsContact CB-CZ 3.45Å; C304-R307 PolarHBondContact O-N 3.2Å; C304-R307 PolarHBondContact SG-NH1 3.05Å; D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 PolarHBondContact O-N 2.73Å
308K91.6Very high89.4Confident38 Ų3858.7 Ų58.717%0.16531%0.308CS..SBendtrans-61149.9173.9-68.9179-178.8177.90109.8E3 C304 D305E3-K308 HydrophobicContact CB-CD 3.97Å; E3-K308 HydrophobicContact CB-CG 4.16Å; E3-K308 HydrophobicContact CG-CD 4.4Å; E3-K308 IonicContact OE1-NZ 3.54Å; E3-K308 PolarHBondContact OE1-NZ 3.39Å; E3-K308 IonicContact OE2-NZ 2.79Å; C304-K308 PolarHBondContact O-N 3.07Å; D305-K308 PolarHBondContact O-N 3.36Å; D305-K308 VanDerWaalsContact OD1-CE 3.22Å; D305-K308 WeakPolarHBondContact OD1-CE 3.33Å; D305-K308 IonicContact OD1-NZ 2.85Å; D305-K308 PolarHBondContact OD1-NZ 2.85Å
309A88.5Confident88.5Confident16 Ų1663.3 Ų63.313%0.13233%0.33CS..PPolyproline II helixtrans-63155.3175.200000110.5I4 K313 I314I4-A309 HydrophobicContact CG2-CB 4.46Å; I4-A309 VanDerWaalsContact O-CB 3.24Å; I4-A309 WeakPolarHBondContact O-CB 3.43Å; I4-A309 PolarHBondContact O-N 2.92Å; A309-K313 HydrophobicContact CB-CB 3.91Å; A309-K313 HydrophobicContact CB-CD 4.49Å; A309-I314 HydrophobicContact CB-CG1 3.95Å; A309-I314 WeakPolarHBondContact O-CD1 3.45Å
310I88.4Confident87.7Confident96 Ų9666.3 Ų66.349%0.49235%0.35SS..PPolyproline II helixtrans-59.2149.2171.759.6176.6000110.7E312 K313 I314I310-E312 PolarHBondContact O-N 3.1Å; I310-K313 HydrophobicContact CD1-CG 4.31Å; I310-K313 HydrophobicContact CG1-CB 4.11Å; I310-K313 HydrophobicContact CG1-CD 4.11Å; I310-K313 HydrophobicContact CG1-CG 3.84Å; I310-K313 PolarHBondContact O-N 2.94Å; I310-I314 PolarHBondContact O-N 3.04Å; I310-I314 VanDerWaalsContact O-N 3.14Å
311P88.1Confident87Confident98 Ų9867 Ų6764%0.63635%0.354SS*.Hα-helixtrans-52.5-33.6-174.5-29.236.2000114.6K313 I314 S315P311-K313 PolarHBondContact O-N 2.82Å; P311-I314 PolarHBondContact O-N 3.35Å; P311-S315 WeakPolarHBondContact O-CB 3.35Å; P311-S315 PolarHBondContact O-N 3.03Å
312E85.6Confident86Confident130 Ų13066.8 Ų66.861%0.60735%0.352SS*.Hα-helixtrans-64.6-39.6177.6-60.178.6-171.300112.1I310 A316I310-E312 PolarHBondContact O-N 3.1Å; E312-A316 WeakPolarHBondContact O-CB 3.08Å; E312-A316 PolarHBondContact O-N 2.9Å
313K84.2Confident85Confident131 Ų13168.2 Ų68.257%0.5737%0.365SS*.Hα-helixtrans-72.6-37177-75.6-173.4179.6-179.10111.7A309 I310 P311 A316 Y317A309-K313 HydrophobicContact CB-CB 3.91Å; A309-K313 HydrophobicContact CB-CD 4.49Å; I310-K313 HydrophobicContact CD1-CG 4.31Å; I310-K313 HydrophobicContact CG1-CB 4.11Å; I310-K313 HydrophobicContact CG1-CD 4.11Å; I310-K313 HydrophobicContact CG1-CG 3.84Å; I310-K313 PolarHBondContact O-N 2.94Å; P311-K313 PolarHBondContact O-N 2.82Å; K313-A316 PolarHBondContact O-N 2.8Å; K313-Y317 WeakPolarHBondContact O-CB 3.49Å; K313-Y317 PolarHBondContact O-N 2.89Å
314I86.6Confident84.2Confident24 Ų2467.6 Ų67.612%0.12336%0.355CS..Hα-helixtrans-61.6-51174-62.3177.2000109.3I4 A309 I310 P311 A316 Y317 E318I4-I314 HydrophobicContact CG2-CB 4.44Å; I4-I314 HydrophobicContact CG2-CG1 3.96Å; A309-I314 HydrophobicContact CB-CG1 3.95Å; A309-I314 WeakPolarHBondContact O-CD1 3.45Å; I310-I314 PolarHBondContact O-N 3.04Å; I310-I314 VanDerWaalsContact O-N 3.14Å; P311-I314 PolarHBondContact O-N 3.35Å; I314-A316 VanDerWaalsContact C-N 3.3Å; I314-A316 PolarHBondContact O-N 2.92Å; I314-Y317 WeakPolarHBondContact O-CB 3.23Å; I314-Y317 PolarHBondContact O-N 3.2Å; I314-E318 HydrophobicContact CG2-CG 4.45Å; I314-E318 WeakPolarHBondContact O-CG 3.38Å; I314-E318 PolarHBondContact O-N 2.83Å
315S83.4Confident83.3Confident52 Ų5266 Ų6636%0.36434%0.344SS..Hα-helixtrans-61.6-37178.9-1710000112.8P311 E318 Q319P311-S315 WeakPolarHBondContact O-CB 3.35Å; P311-S315 PolarHBondContact O-N 3.03Å; S315-E318 PolarHBondContact O-N 2.78Å; S315-Q319 VanDerWaalsContact O-CG 3.29Å; S315-Q319 WeakPolarHBondContact O-CG 3.37Å; S315-Q319 PolarHBondContact O-N 3.48Å
316A77.9Confident82.3Confident48 Ų4860.3 Ų60.340%0.39731%0.314SS..Hα-helixtrans-65-40.8173.900000112.3E312 K313 I314 Q319 V320E312-A316 WeakPolarHBondContact O-CB 3.08Å; E312-A316 PolarHBondContact O-N 2.9Å; K313-A316 PolarHBondContact O-N 2.8Å; I314-A316 VanDerWaalsContact C-N 3.3Å; I314-A316 PolarHBondContact O-N 2.92Å; A316-Q319 PolarHBondContact O-N 3.09Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 2.97Å; A316-V320 VanDerWaalsContact O-N 3.16Å
317Y85.2Confident81.3Confident30 Ų3054.2 Ų54.212%0.11829%0.29CS..Hα-helixtrans-64.2-43.7175.5176.7-101.3000111.8I4 R272 P274 F301 K313 I314 Q319 V320 L321I4-Y317 HydrophobicContact CB-CD1 4.2Å; I4-Y317 HydrophobicContact CB-CG 4.43Å; I4-Y317 HydrophobicContact CD1-CE2 4.39Å; I4-Y317 HydrophobicContact CG1-CD2 4.43Å; I4-Y317 HydrophobicContact CG1-CG 4.34Å; I4-Y317 HydrophobicContact CG2-CD1 4.06Å; I4-Y317 HydrophobicContact CG2-CG 4.18Å; R272-Y317 PolarHBondContact O-OH 3.28Å; P274-Y317 HydrophobicContact CG-CE2 4.35Å; F301-Y317 HydrophobicContact CE1-CE1 4.5Å; K313-Y317 WeakPolarHBondContact O-CB 3.49Å; K313-Y317 PolarHBondContact O-N 2.89Å; I314-Y317 WeakPolarHBondContact O-CB 3.23Å; I314-Y317 PolarHBondContact O-N 3.2Å; Y317-Q319 VanDerWaalsContact C-N 3.3Å; Y317-Q319 PolarHBondContact O-N 3Å; Y317-V320 PolarHBondContact O-N 3.47Å; Y317-L321 HydrophobicContact CE1-CD1 4.12Å; Y317-L321 WeakPolarHBondContact O-CB 2.99Å; Y317-L321 PolarHBondContact O-N 2.99Å
318E84.1Confident80.2Confident85 Ų8551.9 Ų51.940%0.39728%0.283SS..Hα-helixtrans-58.4-40.3175-72.6173.7168.800112I314 S315 L321 A322I314-E318 HydrophobicContact CG2-CG 4.45Å; I314-E318 WeakPolarHBondContact O-CG 3.38Å; I314-E318 PolarHBondContact O-N 2.83Å; S315-E318 PolarHBondContact O-N 2.78Å; E318-L321 PolarHBondContact O-N 3.48Å; E318-A322 WeakPolarHBondContact O-CB 3.45Å; E318-A322 PolarHBondContact O-N 3.1Å
319Q76.6Confident78.9Confident98 Ų9851.5 Ų51.546%0.45828%0.282SS..Hα-helixtrans-64-41.6174.9-71.8169.435.100112.9S315 A316 Y317 L321 A322 A323S315-Q319 VanDerWaalsContact O-CG 3.29Å; S315-Q319 WeakPolarHBondContact O-CG 3.37Å; S315-Q319 PolarHBondContact O-N 3.48Å; A316-Q319 PolarHBondContact O-N 3.09Å; Y317-Q319 VanDerWaalsContact C-N 3.3Å; Y317-Q319 PolarHBondContact O-N 3Å; Q319-L321 VanDerWaalsContact C-N 3.32Å; Q319-A322 PolarHBondContact O-N 3.43Å; Q319-A323 WeakPolarHBondContact O-CB 3.17Å; Q319-A323 PolarHBondContact O-N 2.88Å
320V78.1Confident77.3Confident82 Ų8252.5 Ų52.550%0.49729%0.29SS..Hα-helixtrans-63.6-42.1175.51730000110.4P274 A316 Y317 A323 F324P274-V320 HydrophobicContact CB-CG1 4.13Å; P274-V320 HydrophobicContact CG-CG1 4Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 2.97Å; A316-V320 VanDerWaalsContact O-N 3.16Å; Y317-V320 PolarHBondContact O-N 3.47Å; V320-A323 PolarHBondContact O-N 3.15Å; V320-F324 PolarHBondContact O-N 2.86Å
321L81.7Confident75.6Confident15 Ų1549 Ų498%0.07927%0.272CS..Hα-helixtrans-65.3-44.9178.4-169.8135.5000111.9R272 Y317 E318 Q319 A323 F324 E325 V383R272-L321 VanDerWaalsContact C-CD1 3.45Å; R272-L321 HydrophobicContact CB-CD1 4.12Å; R272-L321 WeakPolarHBondContact O-CD1 2.94Å; Y317-L321 HydrophobicContact CE1-CD1 4.12Å; Y317-L321 WeakPolarHBondContact O-CB 2.99Å; Y317-L321 PolarHBondContact O-N 2.99Å; E318-L321 PolarHBondContact O-N 3.48Å; Q319-L321 VanDerWaalsContact C-N 3.32Å; L321-A323 VanDerWaalsContact C-N 3.29Å; L321-A323 PolarHBondContact O-N 2.63Å; L321-F324 PolarHBondContact O-N 3.38Å; L321-E325 HydrophobicContact CD2-CG 4.3Å; L321-E325 VanDerWaalsContact CD2-OE1 3.24Å; L321-E325 WeakPolarHBondContact CD2-OE1 3.28Å; L321-E325 WeakPolarHBondContact O-CG 3.47Å; L321-E325 PolarHBondContact O-N 2.97Å; L321-V383 HydrophobicContact CD2-CG1 3.28Å
322A75.9Confident73.6Confident0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-59.7-39.8173.900000111.9E318 Q319 L326 V383E318-A322 WeakPolarHBondContact O-CB 3.45Å; E318-A322 PolarHBondContact O-N 3.1Å; Q319-A322 PolarHBondContact O-N 3.43Å; A322-L326 WeakPolarHBondContact O-CB 3.24Å; A322-L326 WeakPolarHBondContact O-CD1 3.32Å; A322-L326 VanDerWaalsContact O-CG 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 3.02Å; A322-V383 HydrophobicContact CB-CG1 4.22Å
323A72.4Confident71.8Confident31 Ų3147.7 Ų47.726%0.25626%0.257SS..Hα-helixtrans-66.7-38.6176.300000112.6Q319 V320 L321 L326 S327Q319-A323 WeakPolarHBondContact O-CB 3.17Å; Q319-A323 PolarHBondContact O-N 2.88Å; V320-A323 PolarHBondContact O-N 3.15Å; L321-A323 VanDerWaalsContact C-N 3.29Å; L321-A323 PolarHBondContact O-N 2.63Å; A323-L326 WeakPolarHBondContact O-CB 3.29Å; A323-L326 PolarHBondContact O-N 2.67Å; A323-S327 PolarHBondContact O-N 3.33Å; A323-S327 VanDerWaalsContact O-N 3.11Å
324F76.8Confident69.7Low39 Ų3946.1 Ų46.117%0.17126%0.259CS..Hα-helixtrans-67.1-43.6175178.6-97.7000112.1H255 P274 C275 V320 L321 L326 S327 M328H255-F324 HydrophobicContact CB-CE1 4.48Å; P274-F324 HydrophobicContact CB-CB 3.65Å; P274-F324 HydrophobicContact CB-CD1 4.2Å; P274-F324 HydrophobicContact CB-CD2 4.14Å; P274-F324 HydrophobicContact CB-CG 3.74Å; C275-F324 WeakPolarHBondContact O-CZ 3.2Å; V320-F324 PolarHBondContact O-N 2.86Å; L321-F324 PolarHBondContact O-N 3.38Å; F324-L326 VanDerWaalsContact C-N 3.27Å; F324-L326 PolarHBondContact O-N 3.2Å; F324-S327 PolarHBondContact O-N 3.48Å; F324-S327 PolarHBondContact O-OG 3.15Å; F324-M328 HydrophobicContact CD1-CG 4.27Å; F324-M328 HydrophobicContact CE1-CG 3.87Å; F324-M328 HydrophobicContact CZ-CG 4.01Å; F324-M328 HydrophobicContact CZ-SD 4.2Å; F324-M328 WeakPolarHBondContact O-CG 3.4Å; F324-M328 PolarHBondContact O-N 3.39Å
325E74.5Confident67.1Low3 Ų347.6 Ų47.61%0.01428%0.281CS..Hα-helixtrans-60.9-39.3176-73.8-179.9172.200112R272 L321 M328 Q329 T358R272-E325 WeakPolarHBondContact CD-OE1 3.3Å; R272-E325 IonicContact NE-OE1 3.41Å; L321-E325 HydrophobicContact CD2-CG 4.3Å; L321-E325 VanDerWaalsContact CD2-OE1 3.24Å; L321-E325 WeakPolarHBondContact CD2-OE1 3.28Å; L321-E325 WeakPolarHBondContact O-CG 3.47Å; L321-E325 PolarHBondContact O-N 2.97Å; E325-M328 PolarHBondContact O-N 3.04Å; E325-Q329 WeakPolarHBondContact O-CG 3.16Å; E325-Q329 PolarHBondContact O-N 2.88Å; E325-T358 WeakPolarHBondContact OE1-CG2 3.2Å
326L69Low64.9Low4 Ų453.1 Ų53.12%0.02131%0.306CS..Hα-helixtrans-61.2-46.2173.7-80.9162.8000112.8A322 A323 F324 M328 Q329 A330 L360 A386 I391A322-L326 WeakPolarHBondContact O-CB 3.24Å; A322-L326 WeakPolarHBondContact O-CD1 3.32Å; A322-L326 VanDerWaalsContact O-CG 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 3.02Å; A323-L326 WeakPolarHBondContact O-CB 3.29Å; A323-L326 PolarHBondContact O-N 2.67Å; F324-L326 VanDerWaalsContact C-N 3.27Å; F324-L326 PolarHBondContact O-N 3.2Å; L326-M328 PolarHBondContact O-N 3.42Å; L326-Q329 PolarHBondContact O-N 2.84Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 2.84Å; L326-L360 HydrophobicContact CD2-CD1 3.64Å; L326-L360 HydrophobicContact CD2-CD2 3.72Å; L326-L360 HydrophobicContact CD2-CG 4.38Å; L326-L360 HydrophobicContact CG-CD1 4.25Å; L326-A386 HydrophobicContact CD1-CB 3.21Å; L326-A386 HydrophobicContact CD2-CB 3.42Å; L326-A386 VanDerWaalsContact CD2-CB 3.42Å; L326-A386 HydrophobicContact CG-CB 3.65Å; L326-I391 HydrophobicContact CD2-CD1 3.8Å; L326-I391 HydrophobicContact CD2-CG1 3.88Å
327S68Low62.9Low48 Ų4853.3 Ų53.334%0.33630%0.304SS..Hα-helixtrans-63.4-36.2178.358.10000111.4A323 F324 A330 N331A323-S327 PolarHBondContact O-N 3.33Å; A323-S327 VanDerWaalsContact O-N 3.11Å; F324-S327 PolarHBondContact O-N 3.48Å; F324-S327 PolarHBondContact O-OG 3.15Å; S327-A330 PolarHBondContact O-N 3.22Å; S327-N331 PolarHBondContact O-N 3.32Å; S327-N331 VanDerWaalsContact O-N 3.15Å; S327-N331 PolarHBondContact O-ND2 2.84Å
328M67.7Low60.8Low21 Ų2156.3 Ų56.310%0.10333%0.326CS..Hα-helixtrans-66-47.8176.5-72.9-50.5-40.600112.2F324 E325 L326 A330 N331 D332 T471F324-M328 HydrophobicContact CD1-CG 4.27Å; F324-M328 HydrophobicContact CE1-CG 3.87Å; F324-M328 HydrophobicContact CZ-CG 4.01Å; F324-M328 HydrophobicContact CZ-SD 4.2Å; F324-M328 WeakPolarHBondContact O-CG 3.4Å; F324-M328 PolarHBondContact O-N 3.39Å; E325-M328 PolarHBondContact O-N 3.04Å; L326-M328 PolarHBondContact O-N 3.42Å; M328-A330 VanDerWaalsContact C-N 3.31Å; M328-A330 PolarHBondContact O-N 2.99Å; M328-N331 WeakPolarHBondContact O-CB 3.36Å; M328-N331 PolarHBondContact O-N 3.25Å; M328-N331 VanDerWaalsContact O-N 3.13Å; M328-D332 PolarHBondContact O-N 2.91Å; M328-T471 HydrophobicContact CE-CG2 3.52Å
329Q63.7Low59Low31 Ų3155.8 Ų55.815%0.14532%0.321CS..Hα-helixtrans-68.4-31.1178.4-69.1-167.82000113.1E325 L326 N331 D332 R333 L360E325-Q329 WeakPolarHBondContact O-CG 3.16Å; E325-Q329 PolarHBondContact O-N 2.88Å; L326-Q329 PolarHBondContact O-N 2.84Å; Q329-N331 VanDerWaalsContact C-N 3.26Å; Q329-N331 PolarHBondContact O-N 2.51Å; Q329-D332 PolarHBondContact O-N 3.03Å; Q329-R333 VanDerWaalsContact O-CB 3.31Å; Q329-R333 WeakPolarHBondContact O-CB 3.23Å; Q329-R333 VanDerWaalsContact O-CG 3.29Å; Q329-R333 WeakPolarHBondContact O-CG 3.34Å; Q329-R333 PolarHBondContact O-N 3.46Å; Q329-L360 HydrophobicContact CB-CD1 4.25Å; Q329-L360 HydrophobicContact CG-CD1 4.16Å
330A54.9Low57.7Low37 Ų3755.1 Ų55.131%0.30633%0.327SS..Hα-helixtrans-63.7-35.3172.900000111.4L326 S327 M328 T334L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 2.84Å; S327-A330 PolarHBondContact O-N 3.22Å; M328-A330 VanDerWaalsContact C-N 3.31Å; M328-A330 PolarHBondContact O-N 2.99Å; A330-T334 WeakPolarHBondContact O-CG2 3.46Å
331N53.3Low56.8Low22 Ų2255.9 Ų55.912%0.11833%0.328CS..Hα-helixtrans-72.3-42174.8-74.7-28.8000112.4S327 M328 Q329 R333 T334 K394 F469S327-N331 PolarHBondContact O-N 3.32Å; S327-N331 VanDerWaalsContact O-N 3.15Å; S327-N331 PolarHBondContact O-ND2 2.84Å; M328-N331 WeakPolarHBondContact O-CB 3.36Å; M328-N331 PolarHBondContact O-N 3.25Å; M328-N331 VanDerWaalsContact O-N 3.13Å; Q329-N331 VanDerWaalsContact C-N 3.26Å; Q329-N331 PolarHBondContact O-N 2.51Å; N331-R333 VanDerWaalsContact C-N 3.32Å; N331-R333 PolarHBondContact O-N 3.06Å; N331-T334 WeakPolarHBondContact O-CG2 3.2Å; N331-T334 PolarHBondContact O-N 3.17Å; N331-T334 PolarHBondContact O-OG1 3.32Å; N331-K394 PolarHBondContact OD1-NZ 3.06Å; N331-K394 VanDerWaalsContact OD1-NZ 3.11Å; N331-F469 PolarHBondContact ND2-O 3.4Å; N331-F469 PolarHBondContact OD1-O 2.88Å
332D46.4Very low55.8Low114 Ų11456.1 Ų56.161%0.6133%0.33SS*.Hα-helixtrans-68.8-29.4178.3-68.8-22.2000113M328 Q329 T334M328-D332 PolarHBondContact O-N 2.91Å; Q329-D332 PolarHBondContact O-N 3.03Å; D332-T334 VanDerWaalsContact C-N 3.28Å; D332-T334 PolarHBondContact O-N 2.84Å
333R46.7Very low55.2Low86 Ų8657.8 Ų57.833%0.32534%0.341SS..THydrogen-bonded Turntrans-86.39.4179.8-69.6-175.4-171.2-162.57.8114.7Q329 N331 G335Q329-R333 VanDerWaalsContact O-CB 3.31Å; Q329-R333 WeakPolarHBondContact O-CB 3.23Å; Q329-R333 VanDerWaalsContact O-CG 3.29Å; Q329-R333 WeakPolarHBondContact O-CG 3.34Å; Q329-R333 PolarHBondContact O-N 3.46Å; N331-R333 VanDerWaalsContact C-N 3.32Å; N331-R333 PolarHBondContact O-N 3.06Å; R333-G335 CarbonylContact O-C 3.57Å; R333-G335 PolarHBondContact O-N 3.27Å
334T40.4Very low54.6Low98 Ų9860.3 Ų60.360%0.60135%0.353SS*.THydrogen-bonded Turntrans-63-0.9175.249.70000114.3A330 N331 D332A330-T334 WeakPolarHBondContact O-CG2 3.46Å; N331-T334 WeakPolarHBondContact O-CG2 3.2Å; N331-T334 PolarHBondContact O-N 3.17Å; N331-T334 PolarHBondContact O-OG1 3.32Å; D332-T334 VanDerWaalsContact C-N 3.28Å; D332-T334 PolarHBondContact O-N 2.84Å
335G33.8Very low54.3Low56 Ų5661.8 Ų61.858%0.57737%0.365SS*.THydrogen-bonded Turntrans-93.891158.100000113.3R333 S337R333-G335 CarbonylContact O-C 3.57Å; R333-G335 PolarHBondContact O-N 3.27Å; G335-S337 VanDerWaalsContact C-N 3.32Å; G335-S337 PolarHBondContact O-N 2.93Å
336N35.2Very low54.1Low167 Ų16766.8 Ų66.889%0.89339%0.392SS*.THydrogen-bonded Turntrans586.4155.7-74.7-13.9000121.3
337S37.7Very low54.2Low53 Ų5368.9 Ų68.937%0.37140%0.402SS..  trans-86.2123.2-178.231.40000112.2G335G335-S337 VanDerWaalsContact C-N 3.32Å; G335-S337 PolarHBondContact O-N 2.93Å
338T40.3Very low54.4Low92 Ų9268.3 Ų68.356%0.56440%0.395SS*.  trans-84.5155.1-178.1-54.70000109.2S340 D341T338-S340 VanDerWaalsContact CB-OG 3.32Å; T338-S340 WeakPolarHBondContact CB-OG 3.3Å; T338-S340 PolarHBondContact O-N 3.48Å; T338-D341 PolarHBondContact N-OD2 3.39Å; T338-D341 WeakPolarHBondContact O-CB 3.14Å; T338-D341 PolarHBondContact O-N 2.7Å
339Y46.5Very low54.8Low74 Ų7473.9 Ų73.929%0.2943%0.425SS..THydrogen-bonded Turntrans-52.7-15.2175.2-146.5-91.5000114D341 L368 E388 I391Y339-D341 VanDerWaalsContact C-N 3.34Å; Y339-L368 HydrophobicContact CE1-CD1 3.64Å; Y339-L368 HydrophobicContact CE2-CD1 3.83Å; Y339-L368 WeakPolarHBondContact OH-CD1 3.31Å; Y339-E388 WeakPolarHBondContact OH-CG 3.41Å; Y339-E388 PolarHBondContact OH-OE1 2.9Å; Y339-I391 HydrophobicContact CD2-CG2 3.97Å; Y339-I391 HydrophobicContact CE2-CB 4.33Å; Y339-I391 HydrophobicContact CE2-CD1 4.22Å; Y339-I391 HydrophobicContact CE2-CG2 3.6Å
340S49Very low55.4Low85 Ų8581 Ų8159%0.59445%0.451SS*.THydrogen-bonded Turntrans-71.2-21.8172.148.50000114.5T338 L342T338-S340 VanDerWaalsContact CB-OG 3.32Å; T338-S340 WeakPolarHBondContact CB-OG 3.3Å; T338-S340 PolarHBondContact O-N 3.48Å; S340-L342 VanDerWaalsContact C-N 3.34Å
341D59.6Low56.5Low97 Ų9783.9 Ų83.952%0.51947%0.467SS..SBendtrans-93.41.4-167.9-51.2-20.6000112.2T338 Y339T338-D341 PolarHBondContact N-OD2 3.39Å; T338-D341 WeakPolarHBondContact O-CB 3.14Å; T338-D341 PolarHBondContact O-N 2.7Å; Y339-D341 VanDerWaalsContact C-N 3.34Å
342L60.1Low57.4Low21 Ų2183.5 Ų83.511%0.1147%0.467CS..SBendtrans-69.9132.3175.2-81.1158.3000110.8S340 L360 L368S340-L342 VanDerWaalsContact C-N 3.34Å; L342-L360 HydrophobicContact CD2-CB 4.15Å; L342-L368 HydrophobicContact CD1-CD1 4.26Å; L342-L368 HydrophobicContact CD1-CD2 3.57Å; L342-L368 HydrophobicContact CD1-CG 4.13Å; L342-L368 HydrophobicContact CD2-CD2 4.23Å
343P63.3Low58.7Low35 Ų3583 Ų8323%0.22747%0.473CS..PPolyproline II helixtrans-59.7145.2177.32.8-1.2000112I347 M359 L361P343-I347 HydrophobicContact CB-CB 4.12Å; P343-I347 HydrophobicContact CB-CD1 3.75Å; P343-I347 HydrophobicContact CB-CG2 3.93Å; P343-I347 HydrophobicContact CG-CD1 4.11Å; P343-I347 HydrophobicContact CG-CG2 4.49Å; P343-M359 HydrophobicContact CG-SD 4Å; P343-L361 HydrophobicContact CB-CD2 3.85Å; P343-L361 HydrophobicContact CG-CD2 4.07Å; P343-L361 VanDerWaalsContact O-CD2 3.3Å; P343-L361 WeakPolarHBondContact O-CD2 3.13Å
344T61Low59.9Low84 Ų8484 Ų8452%0.51548%0.477SS..BIsolated β-bridgetrans-77.1164170.750.10000110.9D346 I347T344-D346 PolarHBondContact O-N 3.27Å; T344-D346 PolarHBondContact OG1-OD2 3.31Å; T344-I347 PolarHBondContact O-N 2.88Å; T344-I347 VanDerWaalsContact O-N 3.07Å
345V69.5Low61.5Low69 Ų6980 Ų8042%0.41845%0.452SS..G310 helixtrans-48.9-25.3-179.7-175.20000113I347 L348 R362V345-I347 PolarHBondContact O-N 3.15Å; V345-I347 VanDerWaalsContact O-N 3.13Å; V345-L348 HydrophobicContact CG1-CD1 4.2Å; V345-L348 WeakPolarHBondContact O-CB 3.41Å; V345-L348 PolarHBondContact O-N 3Å; V345-L348 VanDerWaalsContact O-N 3.09Å; V345-R362 WeakPolarHBondContact CG2-O 3.4Å
346D69.8Low63.3Low109 Ų10978.3 Ų78.358%0.58343%0.434SS*.G310 helixtrans-56.5-27.2178.1-52-56.5000114.2T344 L348 N349T344-D346 PolarHBondContact O-N 3.27Å; T344-D346 PolarHBondContact OG1-OD2 3.31Å; D346-L348 PolarHBondContact O-N 3.01Å; D346-N349 WeakPolarHBondContact O-CB 3.4Å; D346-N349 PolarHBondContact O-N 3Å; D346-N349 PolarHBondContact O-ND2 2.79Å
347I71.2Confident65Low48 Ų4872.5 Ų72.525%0.24640%0.401CS..G310 helixtrans-68.9-23.3-179.8-148.4163.2000112.4P343 T344 V345 N349 R350 M359 L361P343-I347 HydrophobicContact CB-CB 4.12Å; P343-I347 HydrophobicContact CB-CD1 3.75Å; P343-I347 HydrophobicContact CB-CG2 3.93Å; P343-I347 HydrophobicContact CG-CD1 4.11Å; P343-I347 HydrophobicContact CG-CG2 4.49Å; T344-I347 PolarHBondContact O-N 2.88Å; T344-I347 VanDerWaalsContact O-N 3.07Å; V345-I347 PolarHBondContact O-N 3.15Å; V345-I347 VanDerWaalsContact O-N 3.13Å; I347-N349 PolarHBondContact O-N 2.91Å; I347-R350 WeakPolarHBondContact O-CB 3.3Å; I347-R350 PolarHBondContact O-N 3.14Å; I347-M359 HydrophobicContact CD1-CE 4.4Å; I347-M359 HydrophobicContact CG2-CG 4.14Å; I347-M359 HydrophobicContact CG2-SD 4.46Å; I347-L361 HydrophobicContact CG2-CD1 4.31Å; I347-L361 HydrophobicContact CG2-CD2 3.38Å; I347-L361 HydrophobicContact CG2-CG 4.44Å
348L73.1Confident66.4Low35 Ų3571.8 Ų71.818%0.18340%0.395CS..G310 helixtrans-65.3-15.5175.7-65178.9000112.9V345 D346 R350 L361 F371 W380V345-L348 HydrophobicContact CG1-CD1 4.2Å; V345-L348 WeakPolarHBondContact O-CB 3.41Å; V345-L348 PolarHBondContact O-N 3Å; V345-L348 VanDerWaalsContact O-N 3.09Å; D346-L348 PolarHBondContact O-N 3.01Å; L348-R350 PolarHBondContact O-N 2.88Å; L348-L361 HydrophobicContact CD1-CD1 3.43Å; L348-L361 VanDerWaalsContact CD1-CD1 3.43Å; L348-L361 HydrophobicContact CD2-CD1 3.19Å; L348-L361 HydrophobicContact CG-CD1 3.15Å; L348-F371 HydrophobicContact CD1-CD1 4.02Å; L348-F371 HydrophobicContact CD1-CD2 4.36Å; L348-F371 HydrophobicContact CD1-CE1 3.71Å; L348-F371 HydrophobicContact CD1-CE2 4.07Å; L348-F371 HydrophobicContact CD1-CG 4.34Å; L348-F371 HydrophobicContact CD1-CZ 3.75Å; L348-F371 HydrophobicContact CD2-CB 4.15Å; L348-F371 HydrophobicContact CD2-CD1 4.1Å; L348-F371 HydrophobicContact CD2-CD2 4.37Å; L348-F371 HydrophobicContact CD2-CG 3.96Å; L348-W380 HydrophobicContact CD2-CB 3.57Å; L348-W380 HydrophobicContact CD2-CD2 3.78Å; L348-W380 HydrophobicContact CD2-CE3 4.39Å; L348-W380 HydrophobicContact CD2-CG 3.39Å; L348-W380 VanDerWaalsContact O-CD1 3.28Å
349N74.6Confident67.9Low138 Ų13869.1 Ų69.174%0.73838%0.376SS*.G310 helixtrans-73.3-14172.5-62.3-40.6000112.3D346 I347D346-N349 WeakPolarHBondContact O-CB 3.4Å; D346-N349 PolarHBondContact O-N 3Å; D346-N349 PolarHBondContact O-ND2 2.79Å; I347-N349 PolarHBondContact O-N 2.91Å
350R77.2Confident69Low182 Ų18265.8 Ų65.869%0.68736%0.364SS*.SBendtrans-91128.9172.8-62.4-176.2-177.8-178.81.1109.2I347 L348 W380I347-R350 WeakPolarHBondContact O-CB 3.3Å; I347-R350 PolarHBondContact O-N 3.14Å; L348-R350 PolarHBondContact O-N 2.88Å; R350-W380 PolarHBondContact O-NE1 3.38Å
351P77.8Confident70Confident97 Ų9761.8 Ų61.863%0.6334%0.336SS*.PPolyproline II helixtrans-62.5145.117426.6-32.9000110.3W373P351-W373 HydrophobicContact CB-CH2 3.38Å; P351-W373 HydrophobicContact CB-CZ2 3.53Å; P351-W373 HydrophobicContact CB-CZ3 4.15Å
352G71.6Confident70.3Confident13 Ų1360.8 Ų60.813%0.13433%0.325CS..PPolyproline II helixtrans-62.8153.5171.700000111.6W373G352-W373 VanDerWaalsContact N-CE2 3.31Å; G352-W373 VanDerWaalsContact N-CE3 3.3Å
353S74.3Confident70.5Confident103 Ų10361.7 Ų61.772%0.7233%0.33SS*.SBendtrans-78.1-22.9178.856.80000113.1Q357S353-Q357 PolarHBondContact OG-OE1 2.86Å
354R71.5Confident70.6Confident108 Ų10865 Ų6541%0.40835%0.354SS..SBendtrans-154.3149.9-177.259.9-174.6175.7-171.1-0.4111.6E233 G356 Q357 W373E233-R354 IonicContact OE1-CZ 3.16Å; E233-R354 IonicContact OE1-NE 2.79Å; E233-R354 PolarHBondContact OE1-NE 2.82Å; E233-R354 IonicContact OE1-NH1 3.01Å; E233-R354 PolarHBondContact OE1-NH1 2.83Å; E233-R354 VanDerWaalsContact OE1-NH1 3.08Å; E233-R354 IonicContact OE1-NH2 2.62Å; E233-R354 PolarHBondContact OE1-NH2 2.92Å; E233-R354 IonicContact OE2-CZ 2.83Å; E233-R354 VanDerWaalsContact OE2-CZ 3.23Å; E233-R354 IonicContact OE2-NH1 3.54Å; E233-R354 PolarHBondContact OE2-NH1 2.83Å; E233-R354 VanDerWaalsContact OE2-NH1 3.12Å; E233-R354 IonicContact OE2-NH2 3.54Å; E233-R354 PolarHBondContact OE2-NH2 3.07Å; R354-G356 PolarHBondContact O-N 2.9Å; R354-Q357 HydrophobicContact CG-CB 4.12Å; R354-Q357 WeakPolarHBondContact O-CB 3.3Å; R354-Q357 PolarHBondContact O-N 3.17Å; R354-W373 VanDerWaalsContact O-CD1 3.26Å
355D74.3Confident70.8Confident15 Ų1569.2 Ų69.28%0.0836%0.36CS..THydrogen-bonded Turntrans-59.3133.4174.6-164.162.5000111.4R258 T270 S375R258-D355 PolarHBondContact NH1-O 3.03Å; T270-D355 VanDerWaalsContact CB-OD2 3.31Å; T270-D355 WeakPolarHBondContact CB-OD2 3.43Å; T270-D355 PolarHBondContact N-OD2 3.31Å; T270-D355 PolarHBondContact OG1-O 3.3Å; T270-D355 PolarHBondContact OG1-OD2 3.3Å; D355-S375 WeakPolarHBondContact CA-OG 3.16Å; D355-S375 WeakPolarHBondContact CB-OG 3.4Å; D355-S375 PolarHBondContact N-OG 3.43Å; D355-S375 PolarHBondContact OD1-N 2.61Å; D355-S375 PolarHBondContact OD1-OG 3.45Å
356G71.4Confident70.3Confident20 Ų2074.3 Ų74.321%0.20637%0.372CS..THydrogen-bonded Turntrans82.12.4-176.600000115.4R354 T358 W373R354-G356 PolarHBondContact O-N 2.9Å; G356-T358 PolarHBondContact O-N 2.8Å; G356-W373 PolarHBondContact N-O 2.81Å
357Q71.3Confident70.1Confident44 Ų4475.1 Ų75.121%0.20637%0.367CS..  trans-55.7131.5174.1-177.7-175.5-1.300110.3S353 R354 S372 W373 W380S353-Q357 PolarHBondContact OG-OE1 2.86Å; R354-Q357 HydrophobicContact CG-CB 4.12Å; R354-Q357 WeakPolarHBondContact O-CB 3.3Å; R354-Q357 PolarHBondContact O-N 3.17Å; Q357-S372 CarbonylContact O-C 3.53Å; Q357-S372 VanDerWaalsContact O-CA 3.28Å; Q357-S372 WeakPolarHBondContact O-CA 3.35Å; Q357-W373 HydrophobicContact CB-CB 4.09Å; Q357-W373 PolarHBondContact O-N 3.1Å; Q357-W380 HydrophobicContact CB-CH2 4.26Å; Q357-W380 HydrophobicContact CG-CH2 3.88Å; Q357-W380 HydrophobicContact CG-CZ3 4.47Å; Q357-W380 WeakPolarHBondContact O-CZ3 3.26Å
358T68.1Low69.8Low38 Ų3873 Ų7323%0.23336%0.356CS..EExtended strand (participates in β ladder)trans-101.4149.6178.357.90000112E325 G356 F371E325-T358 WeakPolarHBondContact OE1-CG2 3.2Å; G356-T358 PolarHBondContact O-N 2.8Å; T358-F371 CarbonylContact C-O 3.58Å; T358-F371 VanDerWaalsContact CA-O 3.28Å; T358-F371 WeakPolarHBondContact CA-O 3.44Å
359M70.3Confident69.5Low36 Ų3673.5 Ų73.518%0.17736%0.357CS..EExtended strand (participates in β ladder)trans-145.6135.4177.2-170.270.668.100109.7P343 I347 L361 F371 W380P343-M359 HydrophobicContact CG-SD 4Å; I347-M359 HydrophobicContact CD1-CE 4.4Å; I347-M359 HydrophobicContact CG2-CG 4.14Å; I347-M359 HydrophobicContact CG2-SD 4.46Å; M359-L361 HydrophobicContact CG-CD1 4.4Å; M359-L361 HydrophobicContact CG-CD2 3.88Å; M359-L361 HydrophobicContact CG-CG 4Å; M359-F371 PolarHBondContact N-O 3.05Å; M359-F371 PolarHBondContact O-N 3.15Å; M359-W380 HydrophobicContact CB-CE3 4.24Å; M359-W380 HydrophobicContact CB-CH2 3.86Å; M359-W380 HydrophobicContact CB-CZ3 3.6Å; M359-W380 HydrophobicContact CE-CH2 4.2Å
360L69.1Low69.3Low4 Ų467 Ų672%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-106.1127.6174.1-104.5150.5000110.1L326 Q329 L342 L368 A370 A386L326-L360 HydrophobicContact CD2-CD1 3.64Å; L326-L360 HydrophobicContact CD2-CD2 3.72Å; L326-L360 HydrophobicContact CD2-CG 4.38Å; L326-L360 HydrophobicContact CG-CD1 4.25Å; Q329-L360 HydrophobicContact CB-CD1 4.25Å; Q329-L360 HydrophobicContact CG-CD1 4.16Å; L342-L360 HydrophobicContact CD2-CB 4.15Å; L360-L368 HydrophobicContact CB-CD2 4.49Å; L360-L368 HydrophobicContact CD2-CB 3.9Å; L360-L368 HydrophobicContact CD2-CD2 3.44Å; L360-L368 VanDerWaalsContact CD2-CD2 3.44Å; L360-L368 HydrophobicContact CD2-CG 4.21Å; L360-L368 HydrophobicContact CG-CD2 4.48Å; L360-A370 HydrophobicContact CD2-CB 4.36Å; L360-A370 HydrophobicContact CG-CB 4.24Å; L360-A386 HydrophobicContact CD2-CB 3.84Å
361L70.1Confident69.2Low2 Ų259.5 Ų59.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-129.9150.1-172.1-62.8171.6000111.3P343 I347 L348 M359 L368 Q369 F371P343-L361 HydrophobicContact CB-CD2 3.85Å; P343-L361 HydrophobicContact CG-CD2 4.07Å; P343-L361 VanDerWaalsContact O-CD2 3.3Å; P343-L361 WeakPolarHBondContact O-CD2 3.13Å; I347-L361 HydrophobicContact CG2-CD1 4.31Å; I347-L361 HydrophobicContact CG2-CD2 3.38Å; I347-L361 HydrophobicContact CG2-CG 4.44Å; L348-L361 HydrophobicContact CD1-CD1 3.43Å; L348-L361 VanDerWaalsContact CD1-CD1 3.43Å; L348-L361 HydrophobicContact CD2-CD1 3.19Å; L348-L361 HydrophobicContact CG-CD1 3.15Å; M359-L361 HydrophobicContact CG-CD1 4.4Å; M359-L361 HydrophobicContact CG-CD2 3.88Å; M359-L361 HydrophobicContact CG-CG 4Å; L361-L368 CarbonylContact O-C 3.52Å; L361-L368 VanDerWaalsContact O-CA 3.3Å; L361-L368 WeakPolarHBondContact O-CA 3.5Å; L361-Q369 PolarHBondContact N-O 2.86Å; L361-Q369 PolarHBondContact O-N 3.31Å; L361-F371 HydrophobicContact CB-CD2 4.32Å; L361-F371 HydrophobicContact CB-CE2 4.22Å; L361-F371 HydrophobicContact CD1-CD2 3.66Å; L361-F371 HydrophobicContact CD1-CE2 3.87Å; L361-F371 HydrophobicContact CD1-CG 4.32Å; L361-F371 HydrophobicContact CG-CD2 4.25Å
362R66.1Low69Low75 Ų7556.4 Ų56.428%0.28328%0.276SS..EExtended strand (participates in β ladder)trans-94.5115.4171.5-162.7175.8-167.7179.64.9109.2V345 R366V345-R362 WeakPolarHBondContact CG2-O 3.4Å; R362-R366 PolarHBondContact NE-O 3.29Å
363D65.3Low69.4Low41 Ų4157 Ų5722%0.21927%0.274CS..  trans-66157.5170177.821.1000110R365 R366 R367D363-R365 PolarHBondContact O-N 2.82Å; D363-R366 WeakPolarHBondContact O-CA 3.38Å; D363-R366 PolarHBondContact O-N 3.31Å; D363-R367 PolarHBondContact N-O 2.78Å
364S64.1Low69.6Low104 Ų10452.3 Ų52.373%0.72724%0.241SC*.THydrogen-bonded Turntrans-42.2-30.6169.9610000114.2R366S364-R366 VanDerWaalsContact C-N 3.29Å; S364-R366 PolarHBondContact O-N 3.42Å
365R65.7Low69.9Low173 Ų17349.5 Ų49.565%0.65324%0.238SC*.THydrogen-bonded Turntrans-87.515.7176.8-60-172.4179.3-170-1.5114.4D363 R367D363-R365 PolarHBondContact O-N 2.82Å; R365-R367 HydrophobicContact CB-CG 4.47Å; R365-R367 VanDerWaalsContact NH1-NH2 3.18Å; R365-R367 PolarHBondContact O-N 3.29Å; R365-R367 VanDerWaalsContact O-N 3.14Å
366R58.9Low69.8Low175 Ų17555.1 Ų55.166%0.6626%0.264SS*.SBendtrans628.9-176.9-66.6-175.3170.7-167.51.4116.1R362 D363 S364R362-R366 PolarHBondContact NE-O 3.29Å; D363-R366 WeakPolarHBondContact O-CA 3.38Å; D363-R366 PolarHBondContact O-N 3.31Å; S364-R366 VanDerWaalsContact C-N 3.29Å; S364-R366 PolarHBondContact O-N 3.42Å
367R65.4Low70.2Confident126 Ų12658 Ų5848%0.47527%0.272SS..  trans-80.1140.6174.9-60.5179.4-133.8-179.3-8.4109.7D363 R365D363-R367 PolarHBondContact N-O 2.78Å; R365-R367 HydrophobicContact CB-CG 4.47Å; R365-R367 VanDerWaalsContact NH1-NH2 3.18Å; R365-R367 PolarHBondContact O-N 3.29Å; R365-R367 VanDerWaalsContact O-N 3.14Å
368L65Low70.7Confident4 Ų466 Ų662%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-76.1144.2166.3-8391.8000110.2Y339 L342 L360 L361 A386 I391Y339-L368 HydrophobicContact CE1-CD1 3.64Å; Y339-L368 HydrophobicContact CE2-CD1 3.83Å; Y339-L368 WeakPolarHBondContact OH-CD1 3.31Å; L342-L368 HydrophobicContact CD1-CD1 4.26Å; L342-L368 HydrophobicContact CD1-CD2 3.57Å; L342-L368 HydrophobicContact CD1-CG 4.13Å; L342-L368 HydrophobicContact CD2-CD2 4.23Å; L360-L368 HydrophobicContact CB-CD2 4.49Å; L360-L368 HydrophobicContact CD2-CB 3.9Å; L360-L368 HydrophobicContact CD2-CD2 3.44Å; L360-L368 VanDerWaalsContact CD2-CD2 3.44Å; L360-L368 HydrophobicContact CD2-CG 4.21Å; L360-L368 HydrophobicContact CG-CD2 4.48Å; L361-L368 CarbonylContact O-C 3.52Å; L361-L368 VanDerWaalsContact O-CA 3.3Å; L361-L368 WeakPolarHBondContact O-CA 3.5Å; L368-A386 HydrophobicContact CB-CB 3.39Å; L368-A386 WeakPolarHBondContact O-CB 3.38Å; L368-A386 PolarHBondContact O-N 2.94Å; L368-I391 HydrophobicContact CB-CD1 4.25Å; L368-I391 HydrophobicContact CD1-CD1 3.57Å; L368-I391 HydrophobicContact CD2-CD1 3.51Å; L368-I391 HydrophobicContact CG-CD1 3.96Å
369Q67.1Low71.4Confident45 Ų4570.3 Ų70.321%0.2131%0.312CS..EExtended strand (participates in β ladder)trans-134.6137.7169.3-67.6-174.817.700108.3L361 F371 C382 G384L361-Q369 PolarHBondContact N-O 2.86Å; L361-Q369 PolarHBondContact O-N 3.31Å; Q369-F371 HydrophobicContact CB-CD2 4.3Å; Q369-F371 HydrophobicContact CB-CE2 3.64Å; Q369-F371 HydrophobicContact CB-CZ 4.35Å; Q369-C382 PolarHBondContact OE1-SG 2.73Å; Q369-C382 VanDerWaalsContact OE1-SG 3.36Å; Q369-G384 WeakPolarHBondContact CA-O 3.4Å
370A70.4Confident71.9Confident1 Ų169.7 Ų69.71%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-92139.5172.300000109.6L360 V383 G384L360-A370 HydrophobicContact CD2-CB 4.36Å; L360-A370 HydrophobicContact CG-CB 4.24Å; A370-V383 HydrophobicContact CB-CB 4.23Å; A370-V383 PolarHBondContact O-N 2.89Å; A370-G384 PolarHBondContact N-O 3.29Å
371F74.9Confident72.2Confident26 Ų2671 Ų7111%0.11432%0.315CS..EExtended strand (participates in β ladder)trans-127.4142.5177.1-70.9-100000110.1L348 T358 M359 L361 Q369 W380 N381 C382L348-F371 HydrophobicContact CD1-CD1 4.02Å; L348-F371 HydrophobicContact CD1-CD2 4.36Å; L348-F371 HydrophobicContact CD1-CE1 3.71Å; L348-F371 HydrophobicContact CD1-CE2 4.07Å; L348-F371 HydrophobicContact CD1-CG 4.34Å; L348-F371 HydrophobicContact CD1-CZ 3.75Å; L348-F371 HydrophobicContact CD2-CB 4.15Å; L348-F371 HydrophobicContact CD2-CD1 4.1Å; L348-F371 HydrophobicContact CD2-CD2 4.37Å; L348-F371 HydrophobicContact CD2-CG 3.96Å; T358-F371 CarbonylContact C-O 3.58Å; T358-F371 VanDerWaalsContact CA-O 3.28Å; T358-F371 WeakPolarHBondContact CA-O 3.44Å; M359-F371 PolarHBondContact N-O 3.05Å; M359-F371 PolarHBondContact O-N 3.15Å; L361-F371 HydrophobicContact CB-CD2 4.32Å; L361-F371 HydrophobicContact CB-CE2 4.22Å; L361-F371 HydrophobicContact CD1-CD2 3.66Å; L361-F371 HydrophobicContact CD1-CE2 3.87Å; L361-F371 HydrophobicContact CD1-CG 4.32Å; L361-F371 HydrophobicContact CG-CD2 4.25Å; Q369-F371 HydrophobicContact CB-CD2 4.3Å; Q369-F371 HydrophobicContact CB-CE2 3.64Å; Q369-F371 HydrophobicContact CB-CZ 4.35Å; F371-W380 HydrophobicContact CB-CB 4.24Å; F371-W380 HydrophobicContact CB-CE3 3.89Å; F371-W380 HydrophobicContact CD1-CB 4.04Å; F371-N381 CarbonylContact C-O 3.59Å; F371-N381 WeakPolarHBondContact CA-O 3.47Å; F371-C382 HydrophobicContact CD1-CB 3.98Å; F371-C382 HydrophobicContact CE1-CB 3.62Å; F371-C382 HydrophobicContact CZ-CB 4.09Å
372S74.2Confident72.5Confident32 Ų3273.9 Ų73.922%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-117.5141.2171.466.50000110.7Q357 W380 N381Q357-S372 CarbonylContact O-C 3.53Å; Q357-S372 VanDerWaalsContact O-CA 3.28Å; Q357-S372 WeakPolarHBondContact O-CA 3.35Å; S372-W380 CarbonylContact O-C 3.57Å; S372-W380 WeakPolarHBondContact O-CA 3.45Å; S372-N381 PolarHBondContact N-O 2.79Å; S372-N381 PolarHBondContact O-N 2.87Å
373W80.7Confident72.5Confident24 Ų2470.9 Ų70.99%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-82.7123.9179.2178.4-106000111.1P351 G352 R354 G356 Q357 S375 R378 W380P351-W373 HydrophobicContact CB-CH2 3.38Å; P351-W373 HydrophobicContact CB-CZ2 3.53Å; P351-W373 HydrophobicContact CB-CZ3 4.15Å; G352-W373 VanDerWaalsContact N-CE2 3.31Å; G352-W373 VanDerWaalsContact N-CE3 3.3Å; R354-W373 VanDerWaalsContact O-CD1 3.26Å; G356-W373 PolarHBondContact N-O 2.81Å; Q357-W373 HydrophobicContact CB-CB 4.09Å; Q357-W373 PolarHBondContact O-N 3.1Å; W373-S375 PolarHBondContact NE1-OG 2.76Å; W373-R378 HydrophobicContact CH2-CB 4.45Å; W373-R378 WeakPolarHBondContact CH2-O 3.43Å; W373-W380 HydrophobicContact CB-CD2 4.24Å; W373-W380 HydrophobicContact CB-CE3 3.98Å; W373-W380 HydrophobicContact CB-CH2 4.11Å; W373-W380 HydrophobicContact CB-CZ2 4.35Å; W373-W380 HydrophobicContact CB-CZ3 3.93Å; W373-W380 AromaticContact CE3-CD1 3.53Å; W373-W380 AromaticContact CE3-CD2 3.85Å; W373-W380 HydrophobicContact CE3-CD2 3.85Å; W373-W380 AromaticContact CE3-CE2 3.7Å; W373-W380 AromaticContact CE3-CG 3.75Å; W373-W380 HydrophobicContact CE3-CG 3.75Å; W373-W380 HydrophobicContact CE3-CZ2 4.4Å; W373-W380 AromaticContact CE3-NE1 3.48Å; W373-W380 AromaticContact CZ3-CD1 3.66Å; W373-W380 HydrophobicContact CZ3-CG 4.25Å; W373-W380 AromaticContact CZ3-NE1 3.75Å
374S78Confident72.4Confident5 Ų569.5 Ų69.54%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-98.7115.7166.6174.40000109.6E376 E377 R378 R379S374-E376 VanDerWaalsContact C-N 3.31Å; S374-E377 PolarHBondContact OG-N 3.36Å; S374-E377 VanDerWaalsContact OG-N 3.15Å; S374-R378 WeakPolarHBondContact O-CA 3.14Å; S374-R378 PolarHBondContact O-N 2.86Å; S374-R379 PolarHBondContact N-O 2.78Å; S374-R379 PolarHBondContact O-N 3.04Å
375S77.7Confident72.1Confident50 Ų5068.3 Ų68.335%0.3531%0.31SS..THydrogen-bonded Turntrans-71.9-28.8176.4-62.60000112.3D355 W373D355-S375 WeakPolarHBondContact CA-OG 3.16Å; D355-S375 WeakPolarHBondContact CB-OG 3.4Å; D355-S375 PolarHBondContact N-OG 3.43Å; D355-S375 PolarHBondContact OD1-N 2.61Å; D355-S375 PolarHBondContact OD1-OG 3.45Å; W373-S375 PolarHBondContact NE1-OG 2.76Å
376E72.2Confident71.4Confident132 Ų13260.4 Ų60.462%0.61728%0.282SS*.THydrogen-bonded Turntrans-68.4-49.5175.9-171.9177-170.600110.8S374 R378S374-E376 VanDerWaalsContact C-N 3.31Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.32Å
377E80.3Confident71Confident82 Ų8256.4 Ų56.438%0.38327%0.272SS..THydrogen-bonded Turntrans-83.9-8.1-179.2-59.4-177.5147.100113.3S374 R379 N381S374-E377 PolarHBondContact OG-N 3.36Å; S374-E377 VanDerWaalsContact OG-N 3.15Å; E377-R379 HydrophobicContact CB-CG 3.81Å; E377-R379 PolarHBondContact O-N 3.49Å; E377-R379 IonicContact OE1-NH2 2.77Å; E377-R379 PolarHBondContact OE1-NH2 3.45Å; E377-R379 IonicContact OE2-CZ 2.73Å; E377-R379 IonicContact OE2-NE 3.92Å; E377-R379 PolarHBondContact OE2-NE 2.89Å; E377-R379 IonicContact OE2-NH2 3.08Å; E377-R379 PolarHBondContact OE2-NH2 3.36Å; E377-N381 PolarHBondContact OE2-ND2 3.26Å; E377-N381 PolarHBondContact OE2-OD1 2.98Å
378R80.7Confident69.9Low210 Ų21055.5 Ų55.579%0.79227%0.273SS*.THydrogen-bonded Turntrans49.440.3-175.3-63-176.5172.8-174.2-2113.2W373 S374 E376W373-R378 HydrophobicContact CH2-CB 4.45Å; W373-R378 WeakPolarHBondContact CH2-O 3.43Å; S374-R378 WeakPolarHBondContact O-CA 3.14Å; S374-R378 PolarHBondContact O-N 2.86Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.32Å
379R84.4Confident68.6Low129 Ų12963.3 Ų63.349%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-145.7159.2179.671.4-174.8-178.5104.1-0.2111S374 E377 N381S374-R379 PolarHBondContact N-O 2.78Å; S374-R379 PolarHBondContact O-N 3.04Å; E377-R379 HydrophobicContact CB-CG 3.81Å; E377-R379 PolarHBondContact O-N 3.49Å; E377-R379 IonicContact OE1-NH2 2.77Å; E377-R379 PolarHBondContact OE1-NH2 3.45Å; E377-R379 IonicContact OE2-CZ 2.73Å; E377-R379 IonicContact OE2-NE 3.92Å; E377-R379 PolarHBondContact OE2-NE 2.89Å; E377-R379 IonicContact OE2-NH2 3.08Å; E377-R379 PolarHBondContact OE2-NH2 3.36Å; R379-N381 WeakPolarHBondContact CG-OD1 2.73Å; R379-N381 PolarHBondContact NE-OD1 2.7Å; R379-N381 VanDerWaalsContact NE-OD1 3.16Å; R379-N381 PolarHBondContact NH1-OD1 3.32Å; R379-N381 PolarHBondContact NH2-OD1 3.36Å; R379-N381 VanDerWaalsContact NH2-OD1 3.15Å
380W79.2Confident67.1Low24 Ų2462.3 Ų62.39%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-82.6126168-68.995.8000109.8L348 R350 Q357 M359 F371 S372 W373L348-W380 HydrophobicContact CD2-CB 3.57Å; L348-W380 HydrophobicContact CD2-CD2 3.78Å; L348-W380 HydrophobicContact CD2-CE3 4.39Å; L348-W380 HydrophobicContact CD2-CG 3.39Å; L348-W380 VanDerWaalsContact O-CD1 3.28Å; R350-W380 PolarHBondContact O-NE1 3.38Å; Q357-W380 HydrophobicContact CB-CH2 4.26Å; Q357-W380 HydrophobicContact CG-CH2 3.88Å; Q357-W380 HydrophobicContact CG-CZ3 4.47Å; Q357-W380 WeakPolarHBondContact O-CZ3 3.26Å; M359-W380 HydrophobicContact CB-CE3 4.24Å; M359-W380 HydrophobicContact CB-CH2 3.86Å; M359-W380 HydrophobicContact CB-CZ3 3.6Å; M359-W380 HydrophobicContact CE-CH2 4.2Å; F371-W380 HydrophobicContact CB-CB 4.24Å; F371-W380 HydrophobicContact CB-CE3 3.89Å; F371-W380 HydrophobicContact CD1-CB 4.04Å; S372-W380 CarbonylContact O-C 3.57Å; S372-W380 WeakPolarHBondContact O-CA 3.45Å; W373-W380 HydrophobicContact CB-CD2 4.24Å; W373-W380 HydrophobicContact CB-CE3 3.98Å; W373-W380 HydrophobicContact CB-CH2 4.11Å; W373-W380 HydrophobicContact CB-CZ2 4.35Å; W373-W380 HydrophobicContact CB-CZ3 3.93Å; W373-W380 AromaticContact CE3-CD1 3.53Å; W373-W380 AromaticContact CE3-CD2 3.85Å; W373-W380 HydrophobicContact CE3-CD2 3.85Å; W373-W380 AromaticContact CE3-CE2 3.7Å; W373-W380 AromaticContact CE3-CG 3.75Å; W373-W380 HydrophobicContact CE3-CG 3.75Å; W373-W380 HydrophobicContact CE3-CZ2 4.4Å; W373-W380 AromaticContact CE3-NE1 3.48Å; W373-W380 AromaticContact CZ3-CD1 3.66Å; W373-W380 HydrophobicContact CZ3-CG 4.25Å; W373-W380 AromaticContact CZ3-NE1 3.75Å
381N76Confident65.5Low30 Ų3065 Ų6516%0.1632%0.319CS..EExtended strand (participates in β ladder)trans-96.6126.3176.6-69.5-19.7000109.1F371 S372 E377 R379 V383F371-N381 CarbonylContact C-O 3.59Å; F371-N381 WeakPolarHBondContact CA-O 3.47Å; S372-N381 PolarHBondContact N-O 2.79Å; S372-N381 PolarHBondContact O-N 2.87Å; E377-N381 PolarHBondContact OE2-ND2 3.26Å; E377-N381 PolarHBondContact OE2-OD1 2.98Å; R379-N381 WeakPolarHBondContact CG-OD1 2.73Å; R379-N381 PolarHBondContact NE-OD1 2.7Å; R379-N381 VanDerWaalsContact NE-OD1 3.16Å; R379-N381 PolarHBondContact NH1-OD1 3.32Å; R379-N381 PolarHBondContact NH2-OD1 3.36Å; R379-N381 VanDerWaalsContact NH2-OD1 3.15Å; N381-V383 PolarHBondContact O-N 2.81Å
382C75.7Confident63.4Low63 Ų6367.3 Ų67.343%0.42634%0.343SS..EExtended strand (participates in β ladder)trans-70.5117175.7-174.50000108.5Q369 F371 G384Q369-C382 PolarHBondContact OE1-SG 2.73Å; Q369-C382 VanDerWaalsContact OE1-SG 3.36Å; F371-C382 HydrophobicContact CD1-CB 3.98Å; F371-C382 HydrophobicContact CE1-CB 3.62Å; F371-C382 HydrophobicContact CZ-CB 4.09Å; C382-G384 VanDerWaalsContact C-N 3.34Å
383V66.7Low61.4Low13 Ų1372 Ų728%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-81-22.2-179.9-176.80000110.7L321 A322 A370 N381L321-V383 HydrophobicContact CD2-CG1 3.28Å; A322-V383 HydrophobicContact CB-CG1 4.22Å; A370-V383 HydrophobicContact CB-CB 4.23Å; A370-V383 PolarHBondContact O-N 2.89Å; N381-V383 PolarHBondContact O-N 2.81Å
384G62.9Low59.1Low11 Ų1175.7 Ų75.711%0.11338%0.381CS..EExtended strand (participates in β ladder)trans145.5172.9172.500000114Q369 A370 C382 A386Q369-G384 WeakPolarHBondContact CA-O 3.4Å; A370-G384 PolarHBondContact N-O 3.29Å; C382-G384 VanDerWaalsContact C-N 3.34Å; G384-A386 PolarHBondContact O-N 2.75Å
385P58.2Low57Low79 Ų7984.6 Ų84.651%0.51342%0.419SS..EExtended strand (participates in β ladder)trans-65.6129.9173.128.2-32.1000109.6I387P385-I387 PolarHBondContact O-N 3.09Å
386A51.8Low55.5Low8 Ų884.2 Ų84.27%0.06642%0.415CS..EExtended strand (participates in β ladder)trans-79.6115.1173.600000109.2L326 L360 L368 G384 E388L326-A386 HydrophobicContact CD1-CB 3.21Å; L326-A386 HydrophobicContact CD2-CB 3.42Å; L326-A386 VanDerWaalsContact CD2-CB 3.42Å; L326-A386 HydrophobicContact CG-CB 3.65Å; L360-A386 HydrophobicContact CD2-CB 3.84Å; L368-A386 HydrophobicContact CB-CB 3.39Å; L368-A386 WeakPolarHBondContact O-CB 3.38Å; L368-A386 PolarHBondContact O-N 2.94Å; G384-A386 PolarHBondContact O-N 2.75Å; A386-E388 PolarHBondContact O-N 3.4Å; A386-E388 VanDerWaalsContact O-N 3.1Å
387I50.1Low54.5Low90 Ų9086.2 Ų86.246%0.46242%0.424SS..  trans-66111.9-179.5-56.5176.6000108P385 K389 S390P385-I387 PolarHBondContact O-N 3.09Å; I387-K389 HydrophobicContact CG2-CB 3.96Å; I387-K389 HydrophobicContact CG2-CG 4.48Å; I387-K389 PolarHBondContact O-N 3.28Å; I387-S390 PolarHBondContact O-N 2.9Å; I387-S390 PolarHBondContact O-OG 3.4Å
388E42.8Very low53.7Low107 Ų10786.9 Ų86.950%0.543%0.426SS..Hα-helixtrans-54.5-22.1179.9-89.1-177.4159.200113.7Y339 A386 S390 I391 A392Y339-E388 WeakPolarHBondContact OH-CG 3.41Å; Y339-E388 PolarHBondContact OH-OE1 2.9Å; A386-E388 PolarHBondContact O-N 3.4Å; A386-E388 VanDerWaalsContact O-N 3.1Å; E388-S390 VanDerWaalsContact C-N 3.29Å; E388-S390 PolarHBondContact O-N 3.04Å; E388-I391 PolarHBondContact O-N 2.81Å; E388-I391 VanDerWaalsContact O-N 3.14Å; E388-A392 PolarHBondContact O-N 3.21Å; E388-A392 VanDerWaalsContact O-N 3.08Å
389K37.5Very low53.4Low168 Ų16879.8 Ų79.873%0.7341%0.406SS*.Hα-helixtrans-63.7-29177.1-72.2-173.5173.4-177.20113.5I387 L393I387-K389 HydrophobicContact CG2-CB 3.96Å; I387-K389 HydrophobicContact CG2-CG 4.48Å; I387-K389 PolarHBondContact O-N 3.28Å; K389-L393 WeakPolarHBondContact O-CD1 3.28Å; K389-L393 WeakPolarHBondContact O-CG 3.43Å
390S35.6Very low53.2Low25 Ų2578.6 Ų78.618%0.17541%0.413CS..Hα-helixtrans-80.2-18.8174.848.10000113.6I387 E388I387-S390 PolarHBondContact O-N 2.9Å; I387-S390 PolarHBondContact O-OG 3.4Å; E388-S390 VanDerWaalsContact C-N 3.29Å; E388-S390 PolarHBondContact O-N 3.04Å
391I36.5Very low53.4Low57 Ų5779 Ų7929%0.29242%0.415SS..Hα-helixtrans-85.8-19.3172.6-50.8166.7000111L326 Y339 L368 E388 L393L326-I391 HydrophobicContact CD2-CD1 3.8Å; L326-I391 HydrophobicContact CD2-CG1 3.88Å; Y339-I391 HydrophobicContact CD2-CG2 3.97Å; Y339-I391 HydrophobicContact CE2-CB 4.33Å; Y339-I391 HydrophobicContact CE2-CD1 4.22Å; Y339-I391 HydrophobicContact CE2-CG2 3.6Å; L368-I391 HydrophobicContact CB-CD1 4.25Å; L368-I391 HydrophobicContact CD1-CD1 3.57Å; L368-I391 HydrophobicContact CD2-CD1 3.51Å; L368-I391 HydrophobicContact CG-CD1 3.96Å; E388-I391 PolarHBondContact O-N 2.81Å; E388-I391 VanDerWaalsContact O-N 3.14Å; I391-L393 VanDerWaalsContact C-N 3.32Å
392A30.9Very low53.7Low74 Ų7484.2 Ų84.261%0.61244%0.438SS*.SBendtrans-83.9-2.1170.400000113.9E388 K394E388-A392 PolarHBondContact O-N 3.21Å; E388-A392 VanDerWaalsContact O-N 3.08Å; A392-K394 PolarHBondContact O-N 2.86Å
393L31.5Very low53.8Low130 Ų13084.7 Ų84.768%0.68145%0.454SS*.THydrogen-bonded Turntrans-91.765.1-179-88.5156.3000111.6K389 I391K389-L393 WeakPolarHBondContact O-CD1 3.28Å; K389-L393 WeakPolarHBondContact O-CG 3.43Å; I391-L393 VanDerWaalsContact C-N 3.32Å
394K33.2Very low54.5Low103 Ų10390.8 Ų90.845%0.44848%0.479SS..THydrogen-bonded Turntrans-177.652.6149-99.9174.9-168.91720108.1N331 A392 T396N331-K394 PolarHBondContact OD1-NZ 3.06Å; N331-K394 VanDerWaalsContact OD1-NZ 3.11Å; A392-K394 PolarHBondContact O-N 2.86Å; K394-T396 PolarHBondContact O-N 3.5Å; K394-T396 VanDerWaalsContact O-N 3.14Å
395K34Very low55.4Low191 Ų19196.3 Ų96.383%0.8350%0.502SS*.  trans-70.590.2133.5-91.7-174.9172.9-174.50103.8E397K395-E397 PolarHBondContact O-N 3.41Å
396T44.6Very low56.6Low43 Ų4394.7 Ų94.726%0.26449%0.486SS..  trans-46.2112.7138.323.40000102.8K394 K398 F427K394-T396 PolarHBondContact O-N 3.5Å; K394-T396 VanDerWaalsContact O-N 3.14Å; T396-K398 PolarHBondContact O-N 3.44Å; T396-F427 HydrophobicContact CG2-CE2 4.41Å
397E50.9Low57.9Low173 Ų17395.8 Ų95.881%0.80849%0.491SS*.  trans-58.491.8174.6-83.3-170.6152.800105.2K395 T399K395-E397 PolarHBondContact O-N 3.41Å; E397-T399 PolarHBondContact O-N 3Å
398K65.4Low59.5Low97 Ų9792 Ų9242%0.42247%0.472SS..PPolyproline II helixtrans-59.4120.4178.6-74.8-159.9176.1-1690104.9T396 V400 E405 Y406 D407T396-K398 PolarHBondContact O-N 3.44Å; K398-V400 PolarHBondContact O-N 2.74Å; K398-E405 HydrophobicContact CB-CB 4.03Å; K398-E405 HydrophobicContact CB-CG 4.46Å; K398-E405 HydrophobicContact CD-CB 3.82Å; K398-Y406 CarbonylContact C-O 3.59Å; K398-Y406 WeakPolarHBondContact CA-O 3.21Å; K398-Y406 WeakPolarHBondContact CB-O 3.49Å; K398-D407 WeakPolarHBondContact CE-OD1 3.3Å
399T73.4Confident61.7Low61 Ų6188.6 Ų88.637%0.37446%0.458SS..EExtended strand (participates in β ladder)trans-80.4120.5-178.180000106.4E397 Y401 Y406 V409E397-T399 PolarHBondContact O-N 3Å; T399-Y401 PolarHBondContact O-N 3.02Å; T399-Y406 PolarHBondContact N-O 3.06Å; T399-Y406 PolarHBondContact O-N 3.45Å; T399-V409 PolarHBondContact OG1-N 3.3Å
400V81Confident64Low103 Ų10381.4 Ų81.462%0.62443%0.427SS*.EExtended strand (participates in β ladder)trans-76.7118175.9-179.80000108K398 K404 E405K398-V400 PolarHBondContact O-N 2.74Å; V400-K404 WeakPolarHBondContact CA-O 3.45Å; V400-E405 HydrophobicContact CG2-CG 4.19Å
401Y82.1Confident66.5Low34 Ų3485.2 Ų85.213%0.13344%0.442CS..EExtended strand (participates in β ladder)trans-129.7124.4175.6179.7-100.8000109.4T399 G403 K404 Y406 V409 K422 P424 K441T399-Y401 PolarHBondContact O-N 3.02Å; Y401-G403 PolarHBondContact O-N 3.39Å; Y401-G403 VanDerWaalsContact O-N 3.16Å; Y401-K404 PolarHBondContact N-O 3.03Å; Y401-K404 PolarHBondContact O-N 3.15Å; Y401-K404 VanDerWaalsContact O-O 3.14Å; Y401-Y406 HydrophobicContact CD1-CE2 4.32Å; Y401-V409 HydrophobicContact CD2-CG1 4.32Å; Y401-V409 HydrophobicContact CG-CG2 4.44Å; Y401-K422 HydrophobicContact CD2-CB 4.04Å; Y401-K422 HydrophobicContact CD2-CD 4.16Å; Y401-K422 HydrophobicContact CE2-CB 3.41Å; Y401-K422 VanDerWaalsContact CE2-CB 3.41Å; Y401-K422 HydrophobicContact CE2-CD 3.97Å; Y401-K422 HydrophobicContact CE2-CG 4.25Å; Y401-K422 PolarHBondContact OH-O 3.49Å; Y401-P424 HydrophobicContact CD1-CB 3.77Å; Y401-P424 HydrophobicContact CD1-CG 3.57Å; Y401-P424 HydrophobicContact CE1-CB 4.41Å; Y401-P424 HydrophobicContact CE1-CG 3.77Å; Y401-P424 HydrophobicContact CG-CB 4.35Å; Y401-K441 PolarHBondContact OH-NZ 2.86Å; Y401-K441 VanDerWaalsContact OH-NZ 3.11Å
402E82.6Confident68.7Low139 Ų13983.1 Ų83.165%0.6543%0.432SS*.THydrogen-bonded Turntrans50.137.3-175.9-65.7-177.117100114.6K404 K441E402-K404 VanDerWaalsContact C-N 3.28Å; E402-K404 PolarHBondContact O-N 3.11Å; E402-K441 WeakPolarHBondContact OE1-CE 3.33Å; E402-K441 IonicContact OE1-NZ 2.68Å; E402-K441 PolarHBondContact OE1-NZ 2.85Å; E402-K441 IonicContact OE2-NZ 2.76Å; E402-K441 PolarHBondContact OE2-NZ 3.36Å
403G78.4Confident71Confident73 Ų7384.5 Ų84.575%0.75343%0.429SS*.THydrogen-bonded Turntrans78.15.2177.700000115.2Y401Y401-G403 PolarHBondContact O-N 3.39Å; Y401-G403 VanDerWaalsContact O-N 3.16Å
404K81.3Confident73Confident141 Ų14179.3 Ų79.361%0.61340%0.402SS*.EExtended strand (participates in β ladder)trans-113.1147.8170.8-65.4-177.6-178.3178.60110.4V400 Y401 E402 Y406V400-K404 WeakPolarHBondContact CA-O 3.45Å; Y401-K404 PolarHBondContact N-O 3.03Å; Y401-K404 PolarHBondContact O-N 3.15Å; Y401-K404 VanDerWaalsContact O-O 3.14Å; E402-K404 VanDerWaalsContact C-N 3.28Å; E402-K404 PolarHBondContact O-N 3.11Å; K404-Y406 HydrophobicContact CB-CD2 4.37Å; K404-Y406 HydrophobicContact CB-CE2 3.66Å
405E82.2Confident74.7Confident126 Ų12676.3 Ų76.359%0.58940%0.397SS*.EExtended strand (participates in β ladder)trans-88.6128.9176.9-69.5-176.4173.900110.2K398 V400K398-E405 HydrophobicContact CB-CB 4.03Å; K398-E405 HydrophobicContact CB-CG 4.46Å; K398-E405 HydrophobicContact CD-CB 3.82Å; V400-E405 HydrophobicContact CG2-CG 4.19Å
406Y83.7Confident75.9Confident45 Ų4575.3 Ų75.318%0.17640%0.4CS..EExtended strand (participates in β ladder)trans-124.6153.2176.4-65.5-88.3000111.2K398 T399 Y401 K404 C408 P424 N426K398-Y406 CarbonylContact C-O 3.59Å; K398-Y406 WeakPolarHBondContact CA-O 3.21Å; K398-Y406 WeakPolarHBondContact CB-O 3.49Å; T399-Y406 PolarHBondContact N-O 3.06Å; T399-Y406 PolarHBondContact O-N 3.45Å; Y401-Y406 HydrophobicContact CD1-CE2 4.32Å; K404-Y406 HydrophobicContact CB-CD2 4.37Å; K404-Y406 HydrophobicContact CB-CE2 3.66Å; Y406-C408 VanDerWaalsContact C-N 3.33Å; Y406-P424 HydrophobicContact CD1-CB 3.57Å; Y406-P424 HydrophobicContact CD1-CG 4.45Å; Y406-P424 HydrophobicContact CD2-CB 3.43Å; Y406-P424 VanDerWaalsContact CD2-CB 3.43Å; Y406-P424 HydrophobicContact CD2-CG 4.42Å; Y406-P424 HydrophobicContact CE1-CB 3.65Å; Y406-P424 HydrophobicContact CE1-CG 4.05Å; Y406-P424 HydrophobicContact CE2-CB 3.52Å; Y406-P424 HydrophobicContact CE2-CG 4.02Å; Y406-P424 HydrophobicContact CG-CB 3.44Å; Y406-P424 VanDerWaalsContact CG-CB 3.44Å; Y406-N426 VanDerWaalsContact CA-OD1 3.3Å; Y406-N426 WeakPolarHBondContact CA-OD1 3.46Å
407D77.9Confident77Confident31 Ų3180.7 Ų80.717%0.16643%0.428CS..SBendtrans-68-34.8179.3-65.3-36000112.5K398 Y425 N426 F427K398-D407 WeakPolarHBondContact CE-OD1 3.3Å; D407-Y425 PolarHBondContact N-O 3.47Å; D407-N426 PolarHBondContact N-OD1 2.86Å; D407-N426 WeakPolarHBondContact OD2-CA 3.48Å; D407-F427 HydrophobicContact CB-CD2 3.49Å; D407-F427 VanDerWaalsContact CB-CD2 3.49Å; D407-F427 HydrophobicContact CB-CE2 3.69Å; D407-F427 HydrophobicContact CB-CG 4.34Å; D407-F427 PolarHBondContact OD2-N 3.14Å
408C83.4Confident77.8Confident11 Ų1177.6 Ų77.67%0.07441%0.413CS..EExtended strand (participates in β ladder)trans-149.1155.4170.853.10000111.4Y406 F410 Y425Y406-C408 VanDerWaalsContact C-N 3.33Å; C408-F410 HydrophobicContact CB-CE1 4.24Å; C408-F410 HydrophobicContact CB-CZ 4.26Å; C408-F410 VanDerWaalsContact SG-CE2 3.57Å; C408-F410 WeakPolarHBondContact SG-CZ 3.27Å; C408-Y425 PolarHBondContact N-O 2.91Å; C408-Y425 PolarHBondContact O-N 3.34Å
409V88.5Confident78.1Confident35 Ų3578 Ų7821%0.21243%0.425CS..EExtended strand (participates in β ladder)trans-125.4107.2171.9178.60000106.8T399 Y401 K422 L423 P424T399-V409 PolarHBondContact OG1-N 3.3Å; Y401-V409 HydrophobicContact CD2-CG1 4.32Å; Y401-V409 HydrophobicContact CG-CG2 4.44Å; V409-K422 HydrophobicContact CG1-CB 3.71Å; V409-K422 HydrophobicContact CG1-CD 4.15Å; V409-K422 HydrophobicContact CG1-CG 4.1Å; V409-L423 CarbonylContact C-O 3.38Å; V409-L423 WeakPolarHBondContact CA-O 3.2Å; V409-P424 HydrophobicContact CG2-CB 4.24Å
410F87.8Confident78.4Confident17 Ų1780.4 Ų80.48%0.07543%0.432CS..EExtended strand (participates in β ladder)trans-82.8145178.3-53.2-65.5000110.6C408 K422 L423 Y425 F455 V456 V463C408-F410 HydrophobicContact CB-CE1 4.24Å; C408-F410 HydrophobicContact CB-CZ 4.26Å; C408-F410 VanDerWaalsContact SG-CE2 3.57Å; C408-F410 WeakPolarHBondContact SG-CZ 3.27Å; F410-K422 CarbonylContact O-C 3.55Å; F410-K422 WeakPolarHBondContact O-CA 3.49Å; F410-L423 HydrophobicContact CD2-CD2 4.18Å; F410-L423 PolarHBondContact N-O 3.48Å; F410-L423 PolarHBondContact O-N 2.8Å; F410-Y425 AromaticContact CE2-CD1 3.93Å; F410-Y425 HydrophobicContact CE2-CD1 3.93Å; F410-Y425 HydrophobicContact CE2-CG 4.06Å; F410-Y425 HydrophobicContact CZ-CD1 4.41Å; F410-F455 HydrophobicContact CB-CE1 3.71Å; F410-F455 HydrophobicContact CB-CZ 4.42Å; F410-F455 HydrophobicContact CG-CE1 4.28Å; F410-V456 HydrophobicContact CD2-CG2 4.48Å; F410-V456 HydrophobicContact CE2-CG1 4.37Å; F410-V463 HydrophobicContact CE1-CG2 3.98Å
411E86.9Confident78.7Confident106 Ų10677 Ų7750%0.49541%0.411SS..EExtended strand (participates in β ladder)trans-98.7121.1172.3-67.6-171163.300108.6H420 K422E411-H420 HydrophobicContact CB-CB 4.27Å; E411-K422 HydrophobicContact CG-CG 4.31Å; E411-K422 WeakPolarHBondContact OE1-CE 3.35Å; E411-K422 IonicContact OE1-NZ 2.73Å
412I82.7Confident79.1Confident13 Ų1379.7 Ų79.77%0.06742%0.423CS..EExtended strand (participates in β ladder)trans-113.3125.5-175.4-60.1-177.6000109.8L421 L423 F438 V452 F455I412-L421 PolarHBondContact N-O 3.42Å; I412-L421 PolarHBondContact O-N 3.14Å; I412-L423 HydrophobicContact CD1-CB 3.64Å; I412-L423 HydrophobicContact CD1-CD1 3.44Å; I412-L423 VanDerWaalsContact CD1-CD1 3.44Å; I412-L423 HydrophobicContact CD1-CG 4.14Å; I412-L423 HydrophobicContact CG1-CB 4.27Å; I412-F438 HydrophobicContact CB-CZ 4.06Å; I412-F438 HydrophobicContact CD1-CD1 4.49Å; I412-F438 HydrophobicContact CD1-CE1 4.04Å; I412-F438 HydrophobicContact CD1-CE2 4.39Å; I412-F438 HydrophobicContact CD1-CZ 3.98Å; I412-F438 HydrophobicContact CG1-CZ 4.47Å; I412-F438 HydrophobicContact CG2-CE1 4.39Å; I412-F438 HydrophobicContact CG2-CZ 4.35Å; I412-V452 HydrophobicContact CD1-CG1 3.93Å; I412-F455 HydrophobicContact CD1-CD1 3.92Å; I412-F455 HydrophobicContact CD1-CE1 4.11Å; I412-F455 HydrophobicContact CG1-CD1 3.82Å; I412-F455 HydrophobicContact CG1-CE1 3.54Å; I412-F455 HydrophobicContact CG1-CZ 4.37Å
413D80.3Confident79.4Confident103 Ų10373.1 Ų73.155%0.55139%0.392SS*.  trans-87.7112171.4-70.5-32.6000110.9H420D413-H420 IonicContact OD1-CE1 3.78Å; D413-H420 PolarHBondContact OD1-CE1 3.18Å; D413-H420 IonicContact OD1-CG 2.56Å; D413-H420 IonicContact OD1-ND1 3.7Å; D413-H420 PolarHBondContact OD1-ND1 3.31Å; D413-H420 IonicContact OD2-CE1 3.54Å; D413-H420 IonicContact OD2-ND1 3.11Å
414V72.5Confident80Confident21 Ų2170.7 Ų70.713%0.12736%0.363CS..SBendtrans-87.1-33.5178.2-178.30000111.6L421 L444 Y448V414-L421 HydrophobicContact CG2-CD1 3.65Å; V414-L421 HydrophobicContact CG2-CG 4.38Å; V414-L444 HydrophobicContact CG1-CD1 4.43Å; V414-L444 HydrophobicContact CG1-CD2 3.7Å; V414-L444 HydrophobicContact CG2-CD1 3.81Å; V414-L444 HydrophobicContact CG2-CD2 4.15Å; V414-Y448 HydrophobicContact CG1-CE1 3.91Å; V414-Y448 PolarHBondContact O-OH 2.87Å
415A70.1Confident80.3Confident40 Ų4064.6 Ų64.633%0.33134%0.336SS..SBendtrans-157.2148.2177.700000109.4D417 Q418A415-D417 PolarHBondContact O-N 3.06Å; A415-Q418 HydrophobicContact CB-CB 4.49Å; A415-Q418 HydrophobicContact CB-CG 4.34Å; A415-Q418 PolarHBondContact O-N 2.76Å
416D57.6Low80.5Confident169 Ų16960.4 Ų60.490%0.90432%0.318SS*.THydrogen-bonded Turntrans-54.7-21.1-177.4-66.6-23.7000113.9
417D69Low80.3Confident157 Ų15762.1 Ų62.184%0.8433%0.326SS*.THydrogen-bonded Turntrans-105.8-0.7-174.6-43.3-32.4000113.9A415A415-D417 PolarHBondContact O-N 3.06Å
418Q67.4Low80.2Confident108 Ų10864.4 Ų64.451%0.50536%0.357SS..SBendtrans-107.9146.4-176.4-72.7-168.6700112.1A415A415-Q418 HydrophobicContact CB-CB 4.49Å; A415-Q418 HydrophobicContact CB-CG 4.34Å; A415-Q418 PolarHBondContact O-N 2.76Å
419P71.1Confident80.1Confident104 Ų10467.4 Ų67.468%0.67537%0.373SS*.PPolyproline II helixtrans-62.2140.7177.324.3-31.7000111.3L421P419-L421 PolarHBondContact O-N 2.78Å
420H80.3Confident80Confident112 Ų11269.5 Ų69.552%0.51938%0.383SS..PPolyproline II helixtrans-47.4123.2173.9-52.9-74000110.9E411 D413E411-H420 HydrophobicContact CB-CB 4.27Å; D413-H420 IonicContact OD1-CE1 3.78Å; D413-H420 PolarHBondContact OD1-CE1 3.18Å; D413-H420 IonicContact OD1-CG 2.56Å; D413-H420 IonicContact OD1-ND1 3.7Å; D413-H420 PolarHBondContact OD1-ND1 3.31Å; D413-H420 IonicContact OD2-CE1 3.54Å; D413-H420 IonicContact OD2-ND1 3.11Å
421L87.5Confident80Confident32 Ų3269.9 Ų69.917%0.16839%0.387CS..EExtended strand (participates in β ladder)trans-93.1136.7176.1-64.8-178.8000109.5I412 V414 P419 F438 H442 L444I412-L421 PolarHBondContact N-O 3.42Å; I412-L421 PolarHBondContact O-N 3.14Å; V414-L421 HydrophobicContact CG2-CD1 3.65Å; V414-L421 HydrophobicContact CG2-CG 4.38Å; P419-L421 PolarHBondContact O-N 2.78Å; L421-F438 HydrophobicContact CB-CE2 3.85Å; L421-F438 HydrophobicContact CB-CZ 3.61Å; L421-F438 HydrophobicContact CD1-CZ 4.06Å; L421-H442 HydrophobicContact CD1-CB 3.84Å; L421-L444 HydrophobicContact CD1-CD1 4.33Å
422K90Very high80.1Confident90 Ų9069.8 Ų69.839%0.39138%0.382SS..EExtended strand (participates in β ladder)trans-92.9120.1-176.5-71.2-171.9178.1-163.30111.1Y401 V409 F410 E411 P424Y401-K422 HydrophobicContact CD2-CB 4.04Å; Y401-K422 HydrophobicContact CD2-CD 4.16Å; Y401-K422 HydrophobicContact CE2-CB 3.41Å; Y401-K422 VanDerWaalsContact CE2-CB 3.41Å; Y401-K422 HydrophobicContact CE2-CD 3.97Å; Y401-K422 HydrophobicContact CE2-CG 4.25Å; Y401-K422 PolarHBondContact OH-O 3.49Å; V409-K422 HydrophobicContact CG1-CB 3.71Å; V409-K422 HydrophobicContact CG1-CD 4.15Å; V409-K422 HydrophobicContact CG1-CG 4.1Å; F410-K422 CarbonylContact O-C 3.55Å; F410-K422 WeakPolarHBondContact O-CA 3.49Å; E411-K422 HydrophobicContact CG-CG 4.31Å; E411-K422 WeakPolarHBondContact OE1-CE 3.35Å; E411-K422 IonicContact OE1-NZ 2.73Å; K422-P424 WeakPolarHBondContact O-CD 3.41Å
423L89.8Confident80.4Confident1 Ų172.7 Ų72.71%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-105.4106.2175.3-172.2156.4000109.5V409 F410 I412 C434 F438 V452 V456V409-L423 CarbonylContact C-O 3.38Å; V409-L423 WeakPolarHBondContact CA-O 3.2Å; F410-L423 HydrophobicContact CD2-CD2 4.18Å; F410-L423 PolarHBondContact N-O 3.48Å; F410-L423 PolarHBondContact O-N 2.8Å; I412-L423 HydrophobicContact CD1-CB 3.64Å; I412-L423 HydrophobicContact CD1-CD1 3.44Å; I412-L423 VanDerWaalsContact CD1-CD1 3.44Å; I412-L423 HydrophobicContact CD1-CG 4.14Å; I412-L423 HydrophobicContact CG1-CB 4.27Å; L423-C434 WeakPolarHBondContact CD2-SG 3.24Å; L423-F438 HydrophobicContact CB-CD2 3.65Å; L423-F438 HydrophobicContact CB-CE2 3.84Å; L423-F438 HydrophobicContact CB-CG 4.32Å; L423-F438 HydrophobicContact CD1-CB 3.63Å; L423-F438 HydrophobicContact CD1-CD1 4.05Å; L423-F438 HydrophobicContact CD1-CD2 3.81Å; L423-F438 HydrophobicContact CD1-CE2 4.46Å; L423-F438 HydrophobicContact CD1-CG 3.57Å; L423-F438 HydrophobicContact CG-CB 4.11Å; L423-F438 HydrophobicContact CG-CD2 3.81Å; L423-F438 HydrophobicContact CG-CE2 4.47Å; L423-F438 HydrophobicContact CG-CG 4.06Å; L423-V452 HydrophobicContact CD1-CG1 3.47Å; L423-V452 VanDerWaalsContact CD1-CG1 3.47Å; L423-V456 HydrophobicContact CD1-CG2 3.86Å; L423-V456 HydrophobicContact CD2-CG2 3.76Å
424P89.9Confident80.8Confident22 Ų2268.4 Ų68.414%0.14338%0.379CS..EExtended strand (participates in β ladder)trans-78.4134.4174.833.6-36.6000111.7Y401 Y406 V409 K422 C434Y401-P424 HydrophobicContact CD1-CB 3.77Å; Y401-P424 HydrophobicContact CD1-CG 3.57Å; Y401-P424 HydrophobicContact CE1-CB 4.41Å; Y401-P424 HydrophobicContact CE1-CG 3.77Å; Y401-P424 HydrophobicContact CG-CB 4.35Å; Y406-P424 HydrophobicContact CD1-CB 3.57Å; Y406-P424 HydrophobicContact CD1-CG 4.45Å; Y406-P424 HydrophobicContact CD2-CB 3.43Å; Y406-P424 VanDerWaalsContact CD2-CB 3.43Å; Y406-P424 HydrophobicContact CD2-CG 4.42Å; Y406-P424 HydrophobicContact CE1-CB 3.65Å; Y406-P424 HydrophobicContact CE1-CG 4.05Å; Y406-P424 HydrophobicContact CE2-CB 3.52Å; Y406-P424 HydrophobicContact CE2-CG 4.02Å; Y406-P424 HydrophobicContact CG-CB 3.44Å; Y406-P424 VanDerWaalsContact CG-CB 3.44Å; V409-P424 HydrophobicContact CG2-CB 4.24Å; K422-P424 WeakPolarHBondContact O-CD 3.41Å; P424-C434 PolarHBondContact O-SG 3.27Å; P424-C434 VanDerWaalsContact O-SG 3.4Å
425Y88Confident81.7Confident13 Ų1367.4 Ų67.45%0.05137%0.373CS..EExtended strand (participates in β ladder)trans-140.7142.2-176.6-179.5-104.2000111.6D407 C408 F410 F427 D429 C434 V456D407-Y425 PolarHBondContact N-O 3.47Å; C408-Y425 PolarHBondContact N-O 2.91Å; C408-Y425 PolarHBondContact O-N 3.34Å; F410-Y425 AromaticContact CE2-CD1 3.93Å; F410-Y425 HydrophobicContact CE2-CD1 3.93Å; F410-Y425 HydrophobicContact CE2-CG 4.06Å; F410-Y425 HydrophobicContact CZ-CD1 4.41Å; Y425-F427 HydrophobicContact CE1-CD1 4.41Å; Y425-D429 HydrophobicContact CD2-CB 4.39Å; Y425-D429 HydrophobicContact CE2-CB 4.06Å; Y425-D429 WeakPolarHBondContact CE2-O 3.43Å; Y425-D429 PolarHBondContact OH-O 3.37Å; Y425-D429 VanDerWaalsContact OH-O 3.06Å; Y425-C434 HydrophobicContact CD2-CB 4.07Å; Y425-C434 HydrophobicContact CE2-CB 4.48Å; Y425-V456 HydrophobicContact CD1-CG1 4.3Å; Y425-V456 HydrophobicContact CD2-CG1 3.59Å; Y425-V456 HydrophobicContact CE1-CG1 4.23Å; Y425-V456 HydrophobicContact CE2-CG1 3.51Å; Y425-V456 HydrophobicContact CG-CG1 3.99Å
426N85.4Confident82.7Confident38 Ų3871 Ų7120%0.20338%0.382CS..  trans-109.9143.8169.7-54.4-65000110.4Y406 D407 G428 D429Y406-N426 VanDerWaalsContact CA-OD1 3.3Å; Y406-N426 WeakPolarHBondContact CA-OD1 3.46Å; D407-N426 PolarHBondContact N-OD1 2.86Å; D407-N426 WeakPolarHBondContact OD2-CA 3.48Å; N426-G428 PolarHBondContact O-N 2.89Å; N426-G428 VanDerWaalsContact O-N 3.15Å; N426-D429 WeakPolarHBondContact CB-OD2 3.15Å; N426-D429 PolarHBondContact ND2-OD2 3.48Å; N426-D429 WeakPolarHBondContact O-CB 3.2Å; N426-D429 PolarHBondContact O-N 2.98Å; N426-D429 VanDerWaalsContact O-N 3.11Å
427F79.8Confident84.3Confident81 Ų8169 Ų6936%0.35537%0.368SS..THydrogen-bonded Turntrans-64.6117.7175.9-64.3-64.7000109.8T396 D407 Y425 V463T396-F427 HydrophobicContact CG2-CE2 4.41Å; D407-F427 HydrophobicContact CB-CD2 3.49Å; D407-F427 VanDerWaalsContact CB-CD2 3.49Å; D407-F427 HydrophobicContact CB-CE2 3.69Å; D407-F427 HydrophobicContact CB-CG 4.34Å; D407-F427 PolarHBondContact OD2-N 3.14Å; Y425-F427 HydrophobicContact CE1-CD1 4.41Å; F427-V463 HydrophobicContact CZ-CB 4.28Å; F427-V463 HydrophobicContact CZ-CG1 3.84Å
428G76Confident85.4Confident79 Ų7962 Ų6281%0.81433%0.33SS*.THydrogen-bonded Turntrans107-13-177.400000114.5N426N426-G428 PolarHBondContact O-N 2.89Å; N426-G428 VanDerWaalsContact O-N 3.15Å
429D81.6Confident86.5Confident75 Ų7557.4 Ų57.440%0.40131%0.309SS..SBendtrans-67.1143.7168.3-74-19.3000109.6Y425 N426 P431Y425-D429 HydrophobicContact CD2-CB 4.39Å; Y425-D429 HydrophobicContact CE2-CB 4.06Å; Y425-D429 WeakPolarHBondContact CE2-O 3.43Å; Y425-D429 PolarHBondContact OH-O 3.37Å; Y425-D429 VanDerWaalsContact OH-O 3.06Å; N426-D429 WeakPolarHBondContact CB-OD2 3.15Å; N426-D429 PolarHBondContact ND2-OD2 3.48Å; N426-D429 WeakPolarHBondContact O-CB 3.2Å; N426-D429 PolarHBondContact O-N 2.98Å; N426-D429 VanDerWaalsContact O-N 3.11Å; D429-P431 VanDerWaalsContact O-CD 3.28Å; D429-P431 WeakPolarHBondContact O-CD 3.23Å
430D85.7Confident87.4Confident78 Ų7857.4 Ų57.442%0.41731%0.307SS..  trans-64.9118.9176.216946000110.5W432 T433 C434D430-W432 PolarHBondContact O-N 2.88Å; D430-W432 PolarHBondContact OD1-N 2.82Å; D430-T433 PolarHBondContact O-N 3.2Å; D430-T433 WeakPolarHBondContact OD2-CB 3.49Å; D430-T433 PolarHBondContact OD2-N 3.29Å; D430-T433 PolarHBondContact OD2-OG1 2.9Å; D430-C434 PolarHBondContact O-N 2.75Å
431P87.4Confident87.8Confident25 Ų2556.4 Ų56.416%0.16230%0.301CS..Hα-helixtrans-55.8-35.7-178.2-26.935000113.2D429 C434 A435 V456 V457D429-P431 VanDerWaalsContact O-CD 3.28Å; D429-P431 WeakPolarHBondContact O-CD 3.23Å; P431-C434 PolarHBondContact O-N 2.84Å; P431-A435 WeakPolarHBondContact O-CB 3.16Å; P431-A435 PolarHBondContact O-N 2.76Å; P431-V456 HydrophobicContact CB-CB 4.41Å; P431-V456 HydrophobicContact CB-CG1 3.98Å; P431-V457 HydrophobicContact CB-CG2 3.83Å; P431-V457 HydrophobicContact CG-CG2 3.81Å
432W90.9Very high87.9Confident105 Ų10557.3 Ų57.340%0.39830%0.304SS..Hα-helixtrans-69.2-44.3179.9-70.3113.8000112.4D430 C434 A435 Q436 L449 E450 A453D430-W432 PolarHBondContact O-N 2.88Å; D430-W432 PolarHBondContact OD1-N 2.82Å; W432-C434 VanDerWaalsContact C-N 3.31Å; W432-C434 PolarHBondContact O-N 3.38Å; W432-A435 PolarHBondContact O-N 3.1Å; W432-Q436 WeakPolarHBondContact O-CB 3.05Å; W432-Q436 PolarHBondContact O-N 3.27Å; W432-L449 HydrophobicContact CE3-CD2 4.4Å; W432-L449 HydrophobicContact CE3-CG 4.04Å; W432-L449 HydrophobicContact CZ3-CG 4.08Å; W432-L449 WeakPolarHBondContact CZ3-O 3.48Å; W432-E450 HydrophobicContact CH2-CB 4.29Å; W432-E450 HydrophobicContact CH2-CG 3.75Å; W432-E450 HydrophobicContact CZ3-CB 4.5Å; W432-E450 HydrophobicContact CZ3-CG 4.17Å; W432-A453 HydrophobicContact CD2-CB 3.56Å; W432-A453 HydrophobicContact CE3-CB 3.14Å; W432-A453 HydrophobicContact CG-CB 4.45Å; W432-A453 HydrophobicContact CH2-CB 3.42Å; W432-A453 VanDerWaalsContact CH2-CB 3.42Å; W432-A453 HydrophobicContact CZ2-CB 3.81Å; W432-A453 HydrophobicContact CZ3-CB 3.09Å
433T88.8Confident87.8Confident73 Ų7362.2 Ų62.245%0.44833%0.326SS..Hα-helixtrans-61.3-41.5174.3-59.80000111.2D430 Q436 Q437D430-T433 PolarHBondContact O-N 3.2Å; D430-T433 WeakPolarHBondContact OD2-CB 3.49Å; D430-T433 PolarHBondContact OD2-N 3.29Å; D430-T433 PolarHBondContact OD2-OG1 2.9Å; T433-Q436 PolarHBondContact O-N 3.15Å; T433-Q437 WeakPolarHBondContact O-CG 3.18Å; T433-Q437 PolarHBondContact O-N 2.96Å
434C88.4Confident87.6Confident14 Ų1463.2 Ų63.210%0.09533%0.331CS..Hα-helixtrans-64.1-46.5176.6-168.10000111.9L423 P424 Y425 D430 P431 W432 Q436 Q437 F438L423-C434 WeakPolarHBondContact CD2-SG 3.24Å; P424-C434 PolarHBondContact O-SG 3.27Å; P424-C434 VanDerWaalsContact O-SG 3.4Å; Y425-C434 HydrophobicContact CD2-CB 4.07Å; Y425-C434 HydrophobicContact CE2-CB 4.48Å; D430-C434 PolarHBondContact O-N 2.75Å; P431-C434 PolarHBondContact O-N 2.84Å; W432-C434 VanDerWaalsContact C-N 3.31Å; W432-C434 PolarHBondContact O-N 3.38Å; C434-Q436 VanDerWaalsContact C-N 3.31Å; C434-Q436 PolarHBondContact O-N 3.46Å; C434-Q437 PolarHBondContact O-N 3.16Å; C434-F438 WeakPolarHBondContact O-CB 3.34Å; C434-F438 PolarHBondContact O-N 3.41Å
435A91.4Very high87.4Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-58.6-42175.400000112P431 W432 F438 I439 L449 V452 A453P431-A435 WeakPolarHBondContact O-CB 3.16Å; P431-A435 PolarHBondContact O-N 2.76Å; W432-A435 PolarHBondContact O-N 3.1Å; A435-F438 PolarHBondContact O-N 2.76Å; A435-I439 VanDerWaalsContact O-CG1 3.32Å; A435-I439 WeakPolarHBondContact O-CG1 3.35Å; A435-I439 PolarHBondContact O-N 2.84Å; A435-L449 HydrophobicContact CB-CD1 4.2Å; A435-V452 HydrophobicContact CB-CB 4.01Å; A435-V452 HydrophobicContact CB-CG1 3.65Å; A435-A453 HydrophobicContact CB-CB 3.88Å
436Q91.8Very high87.3Confident114 Ų11469.8 Ų69.853%0.53338%0.375SS..Hα-helixtrans-68.2-38.7179-167.3143.414.600112.7W432 T433 C434 T440 L449W432-Q436 WeakPolarHBondContact O-CB 3.05Å; W432-Q436 PolarHBondContact O-N 3.27Å; T433-Q436 PolarHBondContact O-N 3.15Å; C434-Q436 VanDerWaalsContact C-N 3.31Å; C434-Q436 PolarHBondContact O-N 3.46Å; Q436-T440 WeakPolarHBondContact O-CB 3.23Å; Q436-T440 PolarHBondContact O-N 3.43Å; Q436-T440 PolarHBondContact O-OG1 3.15Å; Q436-L449 HydrophobicContact CB-CD1 3.8Å; Q436-L449 HydrophobicContact CG-CD1 4.31Å
437Q90.3Very high87.4Confident128 Ų12873.3 Ų73.360%0.59840%0.398SS*.Hα-helixtrans-64-42.3173-72.7178.514.400111.5T433 C434 T440 K441T433-Q437 WeakPolarHBondContact O-CG 3.18Å; T433-Q437 PolarHBondContact O-N 2.96Å; C434-Q437 PolarHBondContact O-N 3.16Å; Q437-T440 PolarHBondContact O-N 3.13Å; Q437-K441 VanDerWaalsContact O-CB 3.24Å; Q437-K441 WeakPolarHBondContact O-CB 3.17Å; Q437-K441 PolarHBondContact O-N 2.83Å
438F91.7Very high87.7Confident9 Ų972.7 Ų72.74%0.03939%0.394CS..Hα-helixtrans-61-47.7176176.1-98.7000112I412 L421 L423 C434 A435 T440 K441 H442 L444 V452I412-F438 HydrophobicContact CB-CZ 4.06Å; I412-F438 HydrophobicContact CD1-CD1 4.49Å; I412-F438 HydrophobicContact CD1-CE1 4.04Å; I412-F438 HydrophobicContact CD1-CE2 4.39Å; I412-F438 HydrophobicContact CD1-CZ 3.98Å; I412-F438 HydrophobicContact CG1-CZ 4.47Å; I412-F438 HydrophobicContact CG2-CE1 4.39Å; I412-F438 HydrophobicContact CG2-CZ 4.35Å; L421-F438 HydrophobicContact CB-CE2 3.85Å; L421-F438 HydrophobicContact CB-CZ 3.61Å; L421-F438 HydrophobicContact CD1-CZ 4.06Å; L423-F438 HydrophobicContact CB-CD2 3.65Å; L423-F438 HydrophobicContact CB-CE2 3.84Å; L423-F438 HydrophobicContact CB-CG 4.32Å; L423-F438 HydrophobicContact CD1-CB 3.63Å; L423-F438 HydrophobicContact CD1-CD1 4.05Å; L423-F438 HydrophobicContact CD1-CD2 3.81Å; L423-F438 HydrophobicContact CD1-CE2 4.46Å; L423-F438 HydrophobicContact CD1-CG 3.57Å; L423-F438 HydrophobicContact CG-CB 4.11Å; L423-F438 HydrophobicContact CG-CD2 3.81Å; L423-F438 HydrophobicContact CG-CE2 4.47Å; L423-F438 HydrophobicContact CG-CG 4.06Å; C434-F438 WeakPolarHBondContact O-CB 3.34Å; C434-F438 PolarHBondContact O-N 3.41Å; A435-F438 PolarHBondContact O-N 2.76Å; F438-T440 VanDerWaalsContact C-N 3.34Å; F438-T440 PolarHBondContact O-N 3.4Å; F438-K441 PolarHBondContact O-N 3.18Å; F438-H442 AromaticContact CD2-CD2 3.39Å; F438-H442 WeakPolarHBondContact CD2-CD2 3.24Å; F438-H442 AromaticContact CD2-NE2 3.81Å; F438-H442 AromaticContact CE2-CD2 3.32Å; F438-H442 WeakPolarHBondContact CE2-CD2 3.43Å; F438-H442 AromaticContact CE2-NE2 3.62Å; F438-H442 AromaticContact CZ-CD2 3.93Å; F438-H442 PolarHBondContact O-CD2 3.37Å; F438-H442 PolarHBondContact O-N 2.76Å; F438-L444 HydrophobicContact CD1-CD1 4.12Å; F438-L444 HydrophobicContact CE1-CD1 3.55Å; F438-L444 HydrophobicContact CZ-CD1 4.33Å; F438-V452 HydrophobicContact CD1-CG1 3.91Å; F438-V452 HydrophobicContact CD1-CG2 4.18Å; F438-V452 HydrophobicContact CE1-CG1 4.46Å; F438-V452 HydrophobicContact CE1-CG2 4.2Å
439I90.3Very high88.2Confident13 Ų1371.3 Ų71.37%0.06737%0.368CS..Hα-helixtrans-61.3-43.7177.6-72.7174.9000111.2A435 K443 L444 L449A435-I439 VanDerWaalsContact O-CG1 3.32Å; A435-I439 WeakPolarHBondContact O-CG1 3.35Å; A435-I439 PolarHBondContact O-N 2.84Å; I439-K443 WeakPolarHBondContact O-CA 3.33Å; I439-K443 PolarHBondContact O-N 3.25Å; I439-L444 HydrophobicContact CB-CB 4.48Å; I439-L444 HydrophobicContact CG1-CB 4.33Å; I439-L444 HydrophobicContact CG2-CB 4.17Å; I439-L444 VanDerWaalsContact CG2-O 3.24Å; I439-L444 WeakPolarHBondContact CG2-O 3.41Å; I439-L444 PolarHBondContact O-N 2.87Å; I439-L449 HydrophobicContact CD1-CB 3.83Å; I439-L449 HydrophobicContact CD1-CD1 3.93Å; I439-L449 VanDerWaalsContact CD1-N 3.26Å
440T89.7Confident88.4Confident104 Ų10474.4 Ų74.464%0.63838%0.38SS*.Hα-helixtrans-65.3-42.6178.5-550000111.2Q436 Q437 F438 K443Q436-T440 WeakPolarHBondContact O-CB 3.23Å; Q436-T440 PolarHBondContact O-N 3.43Å; Q436-T440 PolarHBondContact O-OG1 3.15Å; Q437-T440 PolarHBondContact O-N 3.13Å; F438-T440 VanDerWaalsContact C-N 3.34Å; F438-T440 PolarHBondContact O-N 3.4Å; T440-K443 PolarHBondContact O-N 3.38Å
441K90.5Very high88.5Confident91 Ų9178 Ų7840%0.39639%0.391SS..Hα-helixtrans-65.3-44.7-179.9-177.8180175.5-172.80112.1Y401 E402 Q437 F438Y401-K441 PolarHBondContact OH-NZ 2.86Å; Y401-K441 VanDerWaalsContact OH-NZ 3.11Å; E402-K441 WeakPolarHBondContact OE1-CE 3.33Å; E402-K441 IonicContact OE1-NZ 2.68Å; E402-K441 PolarHBondContact OE1-NZ 2.85Å; E402-K441 IonicContact OE2-NZ 2.76Å; E402-K441 PolarHBondContact OE2-NZ 3.36Å; Q437-K441 VanDerWaalsContact O-CB 3.24Å; Q437-K441 WeakPolarHBondContact O-CB 3.17Å; Q437-K441 PolarHBondContact O-N 2.83Å; F438-K441 PolarHBondContact O-N 3.18Å
442H88.9Confident88.6Confident50 Ų5077 Ų7723%0.23139%0.385CS..Hα-helixtrans-91.54-178.1-67-73.1000113.8L421 F438 L444L421-H442 HydrophobicContact CD1-CB 3.84Å; F438-H442 AromaticContact CD2-CD2 3.39Å; F438-H442 WeakPolarHBondContact CD2-CD2 3.24Å; F438-H442 AromaticContact CD2-NE2 3.81Å; F438-H442 AromaticContact CE2-CD2 3.32Å; F438-H442 WeakPolarHBondContact CE2-CD2 3.43Å; F438-H442 AromaticContact CE2-NE2 3.62Å; F438-H442 AromaticContact CZ-CD2 3.93Å; F438-H442 PolarHBondContact O-CD2 3.37Å; F438-H442 PolarHBondContact O-N 2.76Å; H442-L444 HydrophobicContact CB-CD1 4.26Å; H442-L444 HydrophobicContact CB-CG 3.96Å; H442-L444 PolarHBondContact O-N 2.76Å
443K87.5Confident88.5Confident194 Ų19472 Ų7284%0.84337%0.366SS*.THydrogen-bonded Turntrans52.839.3-179.1-58.4-178.7-179.9178.90112.9I439 T440I439-K443 WeakPolarHBondContact O-CA 3.33Å; I439-K443 PolarHBondContact O-N 3.25Å; T440-K443 PolarHBondContact O-N 3.38Å
444L86.1Confident88.4Confident22 Ų2273 Ų7312%0.11537%0.369CS..  trans-78.1153.6177.7-61.6177.7000110.5V414 L421 F438 I439 H442V414-L444 HydrophobicContact CG1-CD1 4.43Å; V414-L444 HydrophobicContact CG1-CD2 3.7Å; V414-L444 HydrophobicContact CG2-CD1 3.81Å; V414-L444 HydrophobicContact CG2-CD2 4.15Å; L421-L444 HydrophobicContact CD1-CD1 4.33Å; F438-L444 HydrophobicContact CD1-CD1 4.12Å; F438-L444 HydrophobicContact CE1-CD1 3.55Å; F438-L444 HydrophobicContact CZ-CD1 4.33Å; I439-L444 HydrophobicContact CB-CB 4.48Å; I439-L444 HydrophobicContact CG1-CB 4.33Å; I439-L444 HydrophobicContact CG2-CB 4.17Å; I439-L444 VanDerWaalsContact CG2-O 3.24Å; I439-L444 WeakPolarHBondContact CG2-O 3.41Å; I439-L444 PolarHBondContact O-N 2.87Å; H442-L444 HydrophobicContact CB-CD1 4.26Å; H442-L444 HydrophobicContact CB-CG 3.96Å; H442-L444 PolarHBondContact O-N 2.76Å
445P84.8Confident88.4Confident65 Ų6575.8 Ų75.842%0.42238%0.379SS..  trans-58.9142.1171.8-23.633.5000111.5T447 Y448P445-T447 PolarHBondContact O-N 2.99Å; P445-Y448 HydrophobicContact CB-CD2 4.13Å; P445-Y448 HydrophobicContact CB-CE2 4.34Å; P445-Y448 HydrophobicContact CG-CD2 4.21Å; P445-Y448 HydrophobicContact CG-CE2 4.03Å; P445-Y448 WeakPolarHBondContact O-CD2 2.99Å; P445-Y448 PolarHBondContact O-N 2.82Å; P445-Y448 VanDerWaalsContact O-N 3.09Å
446P86.1Confident88.2Confident107 Ų10775.8 Ų75.870%0.69538%0.379SS*.G310 helixtrans-62-1317922.4-31.6000113.8Y448 L449P446-Y448 PolarHBondContact O-N 2.88Å; P446-L449 WeakPolarHBondContact O-CB 3.06Å; P446-L449 PolarHBondContact O-N 3.09Å
447T86.8Confident87.8Confident112 Ų11273.9 Ų73.969%0.68738%0.375SS*.G310 helixtrans-63.6-16.1172.655.60000113.9P445 L449P445-T447 PolarHBondContact O-N 2.99Å; T447-L449 VanDerWaalsContact C-N 3.34Å
448Y86.3Confident87.4Confident68 Ų6872.6 Ų72.627%0.26737%0.369SS..G310 helixtrans-83.8-5.8176.4-74.4-92.1000113.5V414 P445 P446 E450 K451 V452V414-Y448 HydrophobicContact CG1-CE1 3.91Å; V414-Y448 PolarHBondContact O-OH 2.87Å; P445-Y448 HydrophobicContact CB-CD2 4.13Å; P445-Y448 HydrophobicContact CB-CE2 4.34Å; P445-Y448 HydrophobicContact CG-CD2 4.21Å; P445-Y448 HydrophobicContact CG-CE2 4.03Å; P445-Y448 WeakPolarHBondContact O-CD2 2.99Å; P445-Y448 PolarHBondContact O-N 2.82Å; P445-Y448 VanDerWaalsContact O-N 3.09Å; P446-Y448 PolarHBondContact O-N 2.88Å; Y448-E450 PolarHBondContact O-N 2.9Å; Y448-K451 PolarHBondContact O-N 3.4Å; Y448-V452 WeakPolarHBondContact O-CB 3.43Å; Y448-V452 VanDerWaalsContact O-CG2 3.31Å; Y448-V452 WeakPolarHBondContact O-CG2 3.47Å; Y448-V452 PolarHBondContact O-N 2.82Å
449L87.8Confident86.9Confident51 Ų5173 Ų7327%0.26737%0.373SS..Hα-helixtrans-56.8-51.7-173-171.276.1000112W432 A435 Q436 I439 P446 T447 V452 A453W432-L449 HydrophobicContact CE3-CD2 4.4Å; W432-L449 HydrophobicContact CE3-CG 4.04Å; W432-L449 HydrophobicContact CZ3-CG 4.08Å; W432-L449 WeakPolarHBondContact CZ3-O 3.48Å; A435-L449 HydrophobicContact CB-CD1 4.2Å; Q436-L449 HydrophobicContact CB-CD1 3.8Å; Q436-L449 HydrophobicContact CG-CD1 4.31Å; I439-L449 HydrophobicContact CD1-CB 3.83Å; I439-L449 HydrophobicContact CD1-CD1 3.93Å; I439-L449 VanDerWaalsContact CD1-N 3.26Å; P446-L449 WeakPolarHBondContact O-CB 3.06Å; P446-L449 PolarHBondContact O-N 3.09Å; T447-L449 VanDerWaalsContact C-N 3.34Å; L449-V452 PolarHBondContact O-N 3.28Å; L449-A453 WeakPolarHBondContact O-CB 3.5Å; L449-A453 PolarHBondContact O-N 2.91Å
450E85.3Confident86.3Confident140 Ų14073.2 Ų73.265%0.65438%0.376SS*.Hα-helixtrans-58.1-53.4177.3-99.5173.517000112.1W432 Y448 V452 A453 D454W432-E450 HydrophobicContact CH2-CB 4.29Å; W432-E450 HydrophobicContact CH2-CG 3.75Å; W432-E450 HydrophobicContact CZ3-CB 4.5Å; W432-E450 HydrophobicContact CZ3-CG 4.17Å; Y448-E450 PolarHBondContact O-N 2.9Å; E450-V452 VanDerWaalsContact C-N 3.32Å; E450-V452 PolarHBondContact O-N 2.81Å; E450-A453 PolarHBondContact O-N 2.95Å; E450-D454 WeakPolarHBondContact O-CB 3.33Å; E450-D454 PolarHBondContact O-N 2.73Å
451K87.7Confident85.5Confident152 Ų15270.4 Ų70.466%0.66136%0.363SS*.Hα-helixtrans-58.2-41.6-178.8-70.8-172.9176.7-175.20113.2Y448 F455Y448-K451 PolarHBondContact O-N 3.4Å; K451-F455 VanDerWaalsContact O-CB 3.25Å; K451-F455 WeakPolarHBondContact O-CB 3.32Å; K451-F455 PolarHBondContact O-N 3.34Å; K451-F455 VanDerWaalsContact O-N 3.08Å
452V89.1Confident84.5Confident5 Ų573.4 Ų73.43%0.0337%0.372CS..Hα-helixtrans-71-41.4-179.2173.60000110.8I412 L423 A435 F438 Y448 L449 E450 F455 V456I412-V452 HydrophobicContact CD1-CG1 3.93Å; L423-V452 HydrophobicContact CD1-CG1 3.47Å; L423-V452 VanDerWaalsContact CD1-CG1 3.47Å; A435-V452 HydrophobicContact CB-CB 4.01Å; A435-V452 HydrophobicContact CB-CG1 3.65Å; F438-V452 HydrophobicContact CD1-CG1 3.91Å; F438-V452 HydrophobicContact CD1-CG2 4.18Å; F438-V452 HydrophobicContact CE1-CG1 4.46Å; F438-V452 HydrophobicContact CE1-CG2 4.2Å; Y448-V452 WeakPolarHBondContact O-CB 3.43Å; Y448-V452 VanDerWaalsContact O-CG2 3.31Å; Y448-V452 WeakPolarHBondContact O-CG2 3.47Å; Y448-V452 PolarHBondContact O-N 2.82Å; L449-V452 PolarHBondContact O-N 3.28Å; E450-V452 VanDerWaalsContact C-N 3.32Å; E450-V452 PolarHBondContact O-N 2.81Å; V452-F455 PolarHBondContact O-N 2.92Å; V452-V456 VanDerWaalsContact O-CG2 3.31Å; V452-V456 WeakPolarHBondContact O-CG2 3.13Å; V452-V456 PolarHBondContact O-N 2.77Å
453A88.6Confident83.3Confident0 Ų073 Ų730%037%0.373CS..Hα-helixtrans-69.9-42.2179.200000112.4W432 A435 L449 E450 F455 V456 V457W432-A453 HydrophobicContact CD2-CB 3.56Å; W432-A453 HydrophobicContact CE3-CB 3.14Å; W432-A453 HydrophobicContact CG-CB 4.45Å; W432-A453 HydrophobicContact CH2-CB 3.42Å; W432-A453 VanDerWaalsContact CH2-CB 3.42Å; W432-A453 HydrophobicContact CZ2-CB 3.81Å; W432-A453 HydrophobicContact CZ3-CB 3.09Å; A435-A453 HydrophobicContact CB-CB 3.88Å; L449-A453 WeakPolarHBondContact O-CB 3.5Å; L449-A453 PolarHBondContact O-N 2.91Å; E450-A453 PolarHBondContact O-N 2.95Å; A453-F455 VanDerWaalsContact C-N 3.27Å; A453-F455 PolarHBondContact O-N 3.26Å; A453-V456 PolarHBondContact O-N 2.91Å; A453-V456 VanDerWaalsContact O-N 3.12Å; A453-V457 WeakPolarHBondContact O-CG2 3.44Å; A453-V457 PolarHBondContact O-N 2.82Å
454D86.9Confident81.8Confident95 Ų9565.5 Ų65.551%0.50835%0.347SS..Hα-helixtrans-58.8-42.4173.7-71.7-20.4000110.7E450 V456 V457 E458E450-D454 WeakPolarHBondContact O-CB 3.33Å; E450-D454 PolarHBondContact O-N 2.73Å; D454-V456 PolarHBondContact O-N 2.99Å; D454-V457 PolarHBondContact O-N 3.5Å; D454-E458 WeakPolarHBondContact O-CB 3.44Å; D454-E458 PolarHBondContact O-N 3.04Å
455F89.4Confident79.8Confident72 Ų7270.5 Ų70.532%0.31637%0.374SS..Hα-helixtrans-62.8-40.1174.9177.6-95.4000112.7F410 I412 K451 V452 A453 S459F410-F455 HydrophobicContact CB-CE1 3.71Å; F410-F455 HydrophobicContact CB-CZ 4.42Å; F410-F455 HydrophobicContact CG-CE1 4.28Å; I412-F455 HydrophobicContact CD1-CD1 3.92Å; I412-F455 HydrophobicContact CD1-CE1 4.11Å; I412-F455 HydrophobicContact CG1-CD1 3.82Å; I412-F455 HydrophobicContact CG1-CE1 3.54Å; I412-F455 HydrophobicContact CG1-CZ 4.37Å; K451-F455 VanDerWaalsContact O-CB 3.25Å; K451-F455 WeakPolarHBondContact O-CB 3.32Å; K451-F455 PolarHBondContact O-N 3.34Å; K451-F455 VanDerWaalsContact O-N 3.08Å; V452-F455 PolarHBondContact O-N 2.92Å; A453-F455 VanDerWaalsContact C-N 3.27Å; A453-F455 PolarHBondContact O-N 3.26Å; F455-S459 WeakPolarHBondContact CZ-OG 3.29Å; F455-S459 WeakPolarHBondContact O-CB 3.47Å; F455-S459 PolarHBondContact O-N 3.16Å; F455-S459 PolarHBondContact O-OG 3.05Å
456V85.9Confident77.7Confident0 Ų075.1 Ų75.10%039%0.39CS..Hα-helixtrans-64.7-42174.8170.30000110.7F410 L423 Y425 P431 V452 A453 D454 S460F410-V456 HydrophobicContact CD2-CG2 4.48Å; F410-V456 HydrophobicContact CE2-CG1 4.37Å; L423-V456 HydrophobicContact CD1-CG2 3.86Å; L423-V456 HydrophobicContact CD2-CG2 3.76Å; Y425-V456 HydrophobicContact CD1-CG1 4.3Å; Y425-V456 HydrophobicContact CD2-CG1 3.59Å; Y425-V456 HydrophobicContact CE1-CG1 4.23Å; Y425-V456 HydrophobicContact CE2-CG1 3.51Å; Y425-V456 HydrophobicContact CG-CG1 3.99Å; P431-V456 HydrophobicContact CB-CB 4.41Å; P431-V456 HydrophobicContact CB-CG1 3.98Å; V452-V456 VanDerWaalsContact O-CG2 3.31Å; V452-V456 WeakPolarHBondContact O-CG2 3.13Å; V452-V456 PolarHBondContact O-N 2.77Å; A453-V456 PolarHBondContact O-N 2.91Å; A453-V456 VanDerWaalsContact O-N 3.12Å; D454-V456 PolarHBondContact O-N 2.99Å; V456-S460 WeakPolarHBondContact O-CB 3.36Å; V456-S460 PolarHBondContact O-N 2.81Å; V456-S460 PolarHBondContact O-OG 3.49Å
457V84Confident75.3Confident73 Ų7374.4 Ų74.444%0.44238%0.381SS..Hα-helixtrans-63.8-49.2177173.10000110.9P431 A453 D454 S460 A461P431-V457 HydrophobicContact CB-CG2 3.83Å; P431-V457 HydrophobicContact CG-CG2 3.81Å; A453-V457 WeakPolarHBondContact O-CG2 3.44Å; A453-V457 PolarHBondContact O-N 2.82Å; D454-V457 PolarHBondContact O-N 3.5Å; V457-S460 PolarHBondContact O-OG 3.16Å; V457-S460 VanDerWaalsContact O-OG 3.08Å; V457-A461 VanDerWaalsContact O-CB 3.32Å; V457-A461 WeakPolarHBondContact O-CB 3.49Å; V457-A461 PolarHBondContact O-N 3.43Å
458E82.3Confident72.5Confident102 Ų10271.6 Ų71.648%0.47737%0.366SS..Hα-helixtrans-65.4-44.2-179.9-165.1-173.3164.400111.8D454 A461 R462D454-E458 WeakPolarHBondContact O-CB 3.44Å; D454-E458 PolarHBondContact O-N 3.04Å; E458-A461 PolarHBondContact O-N 3.36Å; E458-R462 WeakPolarHBondContact O-CG 3.28Å; E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 IonicContact OE1-CZ 3.57Å; E458-R462 IonicContact OE1-NE 3.62Å; E458-R462 IonicContact OE1-NH2 3.5Å; E458-R462 PolarHBondContact OE1-NH2 2.79Å
459S81.9Confident69.6Low18 Ų1877.9 Ų77.913%0.12639%0.394CS..Hα-helixtrans-70.9-40.1-178.8-590000111.8F455 A461 R462 V463F455-S459 WeakPolarHBondContact CZ-OG 3.29Å; F455-S459 WeakPolarHBondContact O-CB 3.47Å; F455-S459 PolarHBondContact O-N 3.16Å; F455-S459 PolarHBondContact O-OG 3.05Å; S459-A461 VanDerWaalsContact C-N 3.35Å; S459-R462 PolarHBondContact O-N 2.66Å; S459-V463 WeakPolarHBondContact O-CG2 3.35Å; S459-V463 PolarHBondContact O-N 2.81Å
460S77.4Confident66.7Low16 Ų1677.2 Ų77.211%0.11240%0.396CS..Hα-helixtrans-65.4-37.7174.763.30000111.9V456 V457 V463 A464V456-S460 WeakPolarHBondContact O-CB 3.36Å; V456-S460 PolarHBondContact O-N 2.81Å; V456-S460 PolarHBondContact O-OG 3.49Å; V457-S460 PolarHBondContact O-OG 3.16Å; V457-S460 VanDerWaalsContact O-OG 3.08Å; S460-V463 PolarHBondContact O-N 2.84Å; S460-A464 WeakPolarHBondContact O-CB 3.31Å; S460-A464 PolarHBondContact O-N 3.3Å
461A71.9Confident63.9Low46 Ų4673.9 Ų73.938%0.3839%0.386SS..Hα-helixtrans-64.5-40.8172.500000112.3V457 E458 S459 A464 N465V457-A461 VanDerWaalsContact O-CB 3.32Å; V457-A461 WeakPolarHBondContact O-CB 3.49Å; V457-A461 PolarHBondContact O-N 3.43Å; E458-A461 PolarHBondContact O-N 3.36Å; S459-A461 VanDerWaalsContact C-N 3.35Å; A461-A464 PolarHBondContact O-N 3.21Å; A461-N465 VanDerWaalsContact O-CB 3.32Å; A461-N465 WeakPolarHBondContact O-CB 3.4Å; A461-N465 VanDerWaalsContact O-CG 3.26Å; A461-N465 PolarHBondContact O-N 3.33Å; A461-N465 PolarHBondContact O-ND2 2.85Å
462R69.5Low61Low154 Ų15471.9 Ų71.958%0.58139%0.386SS*.Hα-helixtrans-63.7-45.4174.6-76.7-175.7-167.7-166.46.6112.3E458 S459 N465 Q466E458-R462 WeakPolarHBondContact O-CG 3.28Å; E458-R462 PolarHBondContact O-N 2.89Å; E458-R462 IonicContact OE1-CZ 3.57Å; E458-R462 IonicContact OE1-NE 3.62Å; E458-R462 IonicContact OE1-NH2 3.5Å; E458-R462 PolarHBondContact OE1-NH2 2.79Å; S459-R462 PolarHBondContact O-N 2.66Å; R462-N465 PolarHBondContact O-N 2.77Å; R462-Q466 WeakPolarHBondContact O-CG 3.22Å; R462-Q466 PolarHBondContact O-N 3.09Å
463V64.3Low58.1Low40 Ų4075.2 Ų75.224%0.24241%0.41CS..Hα-helixtrans-69.7-36.1179.1-178.80000111F410 F427 S459 S460 Q466 N467F410-V463 HydrophobicContact CE1-CG2 3.98Å; F427-V463 HydrophobicContact CZ-CB 4.28Å; F427-V463 HydrophobicContact CZ-CG1 3.84Å; S459-V463 WeakPolarHBondContact O-CG2 3.35Å; S459-V463 PolarHBondContact O-N 2.81Å; S460-V463 PolarHBondContact O-N 2.84Å; V463-Q466 PolarHBondContact O-N 2.77Å; V463-N467 PolarHBondContact O-N 3Å
464A55.6Low55.3Low38 Ų3879.7 Ų79.731%0.31443%0.433SS..Hα-helixtrans-60.2-51171.800000110.3S460 A461 Q466 N467 S468S460-A464 WeakPolarHBondContact O-CB 3.31Å; S460-A464 PolarHBondContact O-N 3.3Å; A461-A464 PolarHBondContact O-N 3.21Å; A464-Q466 VanDerWaalsContact C-N 3.27Å; A464-Q466 PolarHBondContact O-N 3.4Å; A464-N467 CarbonylContact O-C 3.53Å; A464-N467 PolarHBondContact O-N 3.19Å; A464-S468 WeakPolarHBondContact O-CB 3.42Å; A464-S468 PolarHBondContact O-N 3.42Å; A464-S468 PolarHBondContact O-OG 3.33Å
465N44.3Very low52.8Low126 Ų12676.4 Ų76.467%0.67442%0.415SS*.Hα-helixtrans-62.6-28.5179.8-76.4-14.8000114A461 R462 N467 S468A461-N465 VanDerWaalsContact O-CB 3.32Å; A461-N465 WeakPolarHBondContact O-CB 3.4Å; A461-N465 VanDerWaalsContact O-CG 3.26Å; A461-N465 PolarHBondContact O-N 3.33Å; A461-N465 PolarHBondContact O-ND2 2.85Å; R462-N465 PolarHBondContact O-N 2.77Å; N465-N467 VanDerWaalsContact C-N 3.34Å; N465-S468 WeakPolarHBondContact CA-OG 3.32Å
466Q41.7Very low50.3Low162 Ų16275.4 Ų75.476%0.75742%0.416SS*.Hα-helixtrans-75.8-21.6173.8-73.5-177.9400113.2R462 V463 A464R462-Q466 WeakPolarHBondContact O-CG 3.22Å; R462-Q466 PolarHBondContact O-N 3.09Å; V463-Q466 PolarHBondContact O-N 2.77Å; A464-Q466 VanDerWaalsContact C-N 3.27Å; A464-Q466 PolarHBondContact O-N 3.4Å
467N34.4Very low48.3Very low93 Ų9376.4 Ų76.450%0.49742%0.42SS..Hα-helixtrans-114.4-0-177.3-76-28.1000114.3V463 A464 N465V463-N467 PolarHBondContact O-N 3Å; A464-N467 CarbonylContact O-C 3.53Å; A464-N467 PolarHBondContact O-N 3.19Å; N465-N467 VanDerWaalsContact C-N 3.34Å
468S29.3Very low46.4Very low53 Ų5375.5 Ų75.537%0.37142%0.415SS..  trans-106.581.3-175.663.70000112.1A464 N465 A470A464-S468 WeakPolarHBondContact O-CB 3.42Å; A464-S468 PolarHBondContact O-N 3.42Å; A464-S468 PolarHBondContact O-OG 3.33Å; N465-S468 WeakPolarHBondContact CA-OG 3.32Å; S468-A470 PolarHBondContact O-N 3.4Å
469F23.9Very low44Very low199 Ų19972.5 Ų72.587%0.87341%0.411SS*.  trans-81.481.4136.3-89.4-89.8000106.1N331N331-F469 PolarHBondContact ND2-O 3.4Å; N331-F469 PolarHBondContact OD1-O 2.88Å
470A27.6Very low41.5Very low37 Ų3777.5 Ų77.531%0.30645%0.446SS..  trans-150.3102.117800000110.4S468 T472S468-A470 PolarHBondContact O-N 3.4Å; A470-T472 PolarHBondContact O-N 3.06Å
471T26.1Very low39.3Very low71 Ų7180 Ų8044%0.43646%0.464SS..  trans34.580.213952.60000117.1M328M328-T471 HydrophobicContact CE-CG2 3.52Å
472T26.3Very low37.3Very low109 Ų10987.7 Ų87.767%0.66948%0.483SS*.  trans-125123.4143.447.90000107A470 I474A470-T472 PolarHBondContact O-N 3.06Å; T472-I474 WeakPolarHBondContact O-CG1 3.4Å; T472-I474 PolarHBondContact O-N 2.95Å
473S28.8Very low35.3Very low76 Ų7687.2 Ų87.253%0.53149%0.487SS..  trans-61.8102.9176.6170.40000108.4E253E253-S473 PolarHBondContact OE1-OG 2.63Å
474I30.3Very low33.6Very low94 Ų9490.7 Ų90.748%0.48250%0.503SS..  trans-112.6110.7177.8-67166.1000105.5T472 P476T472-I474 WeakPolarHBondContact O-CG1 3.4Å; T472-I474 PolarHBondContact O-N 2.95Å; I474-P476 WeakPolarHBondContact O-CD 3.3Å; I474-P476 WeakPolarHBondContact O-CG 3.44Å
475D35.1Very low32.2Very low26 Ų2693.7 Ų93.714%0.13953%0.528CS..  trans-66.5111.2169.2-170.5-26.4000108.2R196 F477 V478 G479R196-D475 IonicContact CZ-OD2 2.63Å; R196-D475 IonicContact NH1-OD2 2.77Å; R196-D475 PolarHBondContact NH1-OD2 3.09Å; R196-D475 VanDerWaalsContact NH1-OD2 3.15Å; R196-D475 IonicContact NH2-OD1 3.26Å; R196-D475 IonicContact NH2-OD2 2.95Å; D475-F477 PolarHBondContact O-N 3.26Å; D475-F477 WeakPolarHBondContact OD1-CA 3.39Å; D475-F477 VanDerWaalsContact OD1-CB 3.31Å; D475-F477 WeakPolarHBondContact OD1-CB 3.4Å; D475-F477 PolarHBondContact OD1-N 3.33Å; D475-V478 HydrophobicContact CB-CB 4.49Å; D475-V478 HydrophobicContact CB-CG2 4.36Å; D475-V478 PolarHBondContact O-N 2.68Å; D475-G479 PolarHBondContact O-N 2.96Å
476P36.5Very low31.5Very low50 Ų5091.5 Ų91.533%0.32553%0.528SS..THydrogen-bonded Turntrans-75.5-1.4-178-16.837.2000112.5R16 W279 I474R16-P476 PolarHBondContact NH2-O 3.14Å; W279-P476 HydrophobicContact CH2-CB 4.08Å; W279-P476 HydrophobicContact CH2-CG 3.41Å; W279-P476 VanDerWaalsContact CH2-CG 3.41Å; W279-P476 HydrophobicContact CZ2-CB 4.11Å; W279-P476 HydrophobicContact CZ2-CG 3.56Å; I474-P476 WeakPolarHBondContact O-CD 3.3Å; I474-P476 WeakPolarHBondContact O-CG 3.44Å
477F43.3Very low30.8Very low22 Ų2286.3 Ų86.310%0.09652%0.517CS..THydrogen-bonded Turntrans-91.4-5.7164.2-64.9-89.2000112.6R16 W129 W153 R196 F237 W279 D475R16-F477 VanDerWaalsContact NH1-CD2 3.34Å; W129-F477 WeakPolarHBondContact CH2-O 3.27Å; W129-F477 HydrophobicContact CZ2-CB 4.35Å; W129-F477 WeakPolarHBondContact CZ2-O 3.37Å; W153-F477 HydrophobicContact CH2-CB 3.74Å; W153-F477 HydrophobicContact CH2-CD1 4.37Å; W153-F477 HydrophobicContact CH2-CG 4.29Å; W153-F477 HydrophobicContact CZ3-CB 4.08Å; W153-F477 AromaticContact CZ3-CD1 3.87Å; W153-F477 HydrophobicContact CZ3-CD1 3.87Å; W153-F477 HydrophobicContact CZ3-CE1 4.46Å; W153-F477 HydrophobicContact CZ3-CG 4.11Å; R196-F477 VanDerWaalsContact NH2-CE2 3.33Å; F237-F477 HydrophobicContact CD1-CE2 4.32Å; W279-F477 HydrophobicContact CE3-CD2 4.35Å; W279-F477 AromaticContact CE3-CE2 3.48Å; W279-F477 HydrophobicContact CE3-CE2 3.48Å; W279-F477 VanDerWaalsContact CE3-CE2 3.48Å; W279-F477 HydrophobicContact CE3-CZ 4.18Å; W279-F477 HydrophobicContact CH2-CE2 4.39Å; W279-F477 AromaticContact CZ3-CD2 3.83Å; W279-F477 HydrophobicContact CZ3-CD2 3.83Å; W279-F477 AromaticContact CZ3-CE2 3.4Å; W279-F477 HydrophobicContact CZ3-CE2 3.4Å; W279-F477 VanDerWaalsContact CZ3-CE2 3.4Å; W279-F477 HydrophobicContact CZ3-CZ 4.47Å; D475-F477 PolarHBondContact O-N 3.26Å; D475-F477 WeakPolarHBondContact OD1-CA 3.39Å; D475-F477 VanDerWaalsContact OD1-CB 3.31Å; D475-F477 WeakPolarHBondContact OD1-CB 3.4Å; D475-F477 PolarHBondContact OD1-N 3.33Å
478V43.5Very low30.5Very low54 Ų5487.2 Ų87.233%0.32753%0.526SS..THydrogen-bonded Turntrans-136.1-14.5-176.7-157.40000114.4D475 S481D475-V478 HydrophobicContact CB-CB 4.49Å; D475-V478 HydrophobicContact CB-CG2 4.36Å; D475-V478 PolarHBondContact O-N 2.68Å; V478-S481 WeakPolarHBondContact CG1-O 3.34Å
479G33.2Very low30.3Very low39 Ų3990.5 Ų90.540%0.40255%0.548SS..SBendtrans54.798.6173.400000113.6D475 S481D475-G479 PolarHBondContact O-N 2.96Å; G479-S481 PolarHBondContact O-N 3.36Å; G479-S481 PolarHBondContact O-OG 2.9Å
480S28.2Very low30.6Very low122 Ų12289 Ų8985%0.85355%0.549SS*.SBendtrans54.6-1.117768.50000118.5
481S30.7Very low30.6Very low69 Ų6994.8 Ų94.848%0.48358%0.575SS.*  trans-119.499.1-170.7-44.70000111.3V478 G479 Q483V478-S481 WeakPolarHBondContact CG1-O 3.34Å; G479-S481 PolarHBondContact O-N 3.36Å; G479-S481 PolarHBondContact O-OG 2.9Å; S481-Q483 PolarHBondContact O-N 3.26Å
482R30.7Very low30.9Very low207 Ų20796.7 Ų96.778%0.78159%0.591SS**  trans-66.4117.5164.4-83.1-174.6-178.6-154.7-1.6108.7I484R482-I484 HydrophobicContact CB-CD1 4.47Å; R482-I484 HydrophobicContact CB-CG1 4.24Å; R482-I484 PolarHBondContact O-N 3.43Å
483Q27.4Very low31Very low144 Ų14498.5 Ų98.567%0.67360%0.596SS**  trans-75.380.1156.3-87.1-172.3-22.200108.5S481S481-Q483 PolarHBondContact O-N 3.26Å
484I29.5Very low31Very low114 Ų114103.9 Ų103.959%0.58561%0.61SS**  trans-78.4123.8152.8-65165.9000104.6R482 A486R482-I484 HydrophobicContact CB-CD1 4.47Å; R482-I484 HydrophobicContact CB-CG1 4.24Å; R482-I484 PolarHBondContact O-N 3.43Å; I484-A486 VanDerWaalsContact C-N 3.25Å; I484-A486 PolarHBondContact O-N 3.36Å
485A25.9Very low31.1Very low101 Ų101105.3 Ų105.384%0.83563%0.629SS**  trans-5995.9164.900000107.6
486A29.4Very low30.6Very low80 Ų80114.2 Ų114.266%0.66167%0.666SS**  trans-99.2116.8-178.700000109I484I484-A486 VanDerWaalsContact C-N 3.25Å; I484-A486 PolarHBondContact O-N 3.36Å
487G27.7Very low30.4Very low52 Ų52117.2 Ų117.254%0.53669%0.689SS.*  trans-69141.7158.600000110.7
488T26.5Very low29.7Very low113 Ų113124.4 Ų124.469%0.69373%0.728SS**  trans35.1112.9152.260.80000119.2
489C26.7Very low29.2Very low121 Ų121127 Ų12782%0.81874%0.744SS**  177125.7107.451.10000114.4
490D29.6Very low29.1Very low168 Ų168130.4 Ų130.490%0.89876%0.761SS**  trans56.5131.1139-70.5-13000125.6
491D26.2Very low29.3Very low158 Ų158128.7 Ų128.785%0.84574%0.743SS**  trans-47.9143.3167.4-90-42.5000116.3
492S33.7Very low29.4Very low111 Ų111130.8 Ų130.878%0.77676%0.755SS**  -176.6113.4120.141.50000114.1
493N28.1Very low29.6Very low147 Ų147130 Ų13079%0.78676%0.757SS**  trans36.4106.9130.4-92.9-24.6000120.1
494K29.5Very low30.3Very low190 Ų190127 Ų12783%0.82675%0.748SS**  149.3139108.3-87.9172.1-179.6177.50115.2
495S30.9Very low30.6Very low124 Ų124124.1 Ų124.187%0.86775%0.747SS**  trans93.8126.5146.176.30000120
496K26.1Very low31.1Very low212 Ų212125.7 Ų125.792%0.92275%0.752SS**  trans-75.8135.6178.5-67.6167.7168.7178.20110.8
497S31.6Very low31.5Very low114 Ų114125.8 Ų125.880%0.79775%0.753SS**  trans-157.8133.7139.953.10000110.2
498D29Very low31.7Very low172 Ų172131.7 Ų131.792%0.9276%0.759SS**  trans-68.8123-179.2-85.7-44.7000111.2
499V32.9Very low32.1Very low110 Ų110135.5 Ų135.567%0.66776%0.762SS**  trans-136.8116.4160.8-1750000108.5R508V499-R508 PolarHBondContact O-NH2 2.94Å
500S31.4Very low32.5Very low109 Ų109134.5 Ų134.576%0.76275%0.747SS**  trans-82.5130.617657.20000111.2
501D32.9Very low32.3Very low87 Ų87131.9 Ų131.947%0.46574%0.74SS.*  trans-84.4126.9173174.14.9000111F503 T504D501-F503 VanDerWaalsContact C-N 3.35Å; D501-F503 PolarHBondContact O-N 3.13Å; D501-F503 PolarHBondContact OD1-N 3.22Å; D501-T504 PolarHBondContact OD2-OG1 3.45Å
502P32.3Very low32.5Very low113 Ų113128.1 Ų128.173%0.73473%0.726SS**THydrogen-bonded Turntrans-74.5-7.5-176.8-10.126.5000116.5
503F34.6Very low32.3Very low190 Ų190131.2 Ų131.283%0.83372%0.722SS**THydrogen-bonded Turntrans-114.3-7.9-174.1-69.9-84000114.8D501D501-F503 VanDerWaalsContact C-N 3.35Å; D501-F503 PolarHBondContact O-N 3.13Å; D501-F503 PolarHBondContact OD1-N 3.22Å
504T41.8Very low32.4Very low80 Ų80128.9 Ų128.949%0.49172%0.717SS.*THydrogen-bonded Turntrans-138.612.7-176.262.90000115.3D501 A507D501-T504 PolarHBondContact OD2-OG1 3.45Å; T504-A507 PolarHBondContact O-N 2.82Å
505G35.8Very low32.3Very low54 Ų54124.6 Ų124.656%0.55771%0.711SS**THydrogen-bonded Turntrans22.399.817100000116.6A507G505-A507 PolarHBondContact O-N 3.47Å
506S36.6Very low32.1Very low135 Ų135125.6 Ų125.694%0.94471%0.706SS**THydrogen-bonded Turntrans56.1-5.4174.959.80000119.1R508S506-R508 VanDerWaalsContact C-N 3.27Å; S506-R508 PolarHBondContact O-N 3.07Å
507A37Very low32.3Very low81 Ų81125.6 Ų125.667%0.66971%0.707SS**  trans-86.649.8-177.300000113.9T504 G505 Y509T504-A507 PolarHBondContact O-N 2.82Å; G505-A507 PolarHBondContact O-N 3.47Å; A507-Y509 PolarHBondContact O-N 2.87Å
508R32.1Very low32.1Very low177 Ų177130 Ų13067%0.66871%0.711SS**  trans-77.3110.5174.7-156.7-174.8-70179.1-1.2108.9V499 S506 I510V499-R508 PolarHBondContact O-NH2 2.94Å; S506-R508 VanDerWaalsContact C-N 3.27Å; S506-R508 PolarHBondContact O-N 3.07Å; R508-I510 VanDerWaalsContact C-N 3.35Å; R508-I510 HydrophobicContact CG-CG1 4.17Å; R508-I510 PolarHBondContact O-N 3.17Å
509Y35.5Very low32.2Very low193 Ų193127.8 Ų127.876%0.75770%0.704SS**  trans-74.990172-166.8-97.2000109.6A507 P511A507-Y509 PolarHBondContact O-N 2.87Å; Y509-P511 HydrophobicContact CE1-CB 4.45Å
510I34.2Very low32.6Very low99 Ų99125.4 Ų125.451%0.50869%0.691SS.*  trans-92.2123.3163.9-57.2168.4000105.7R508 S512R508-I510 VanDerWaalsContact C-N 3.35Å; R508-I510 HydrophobicContact CG-CG1 4.17Å; R508-I510 PolarHBondContact O-N 3.17Å; I510-S512 PolarHBondContact O-N 3Å
511P26.6Very low32.9Very low114 Ų114128 Ų12874%0.7469%0.693SS**  trans-72.782.3169.929.8-29000108Y509Y509-P511 HydrophobicContact CE1-CB 4.45Å
512S30Very low34Very low79 Ų79129.3 Ų129.355%0.55270%0.695SS**  trans-128.4121.7175.354.60000110.8I510 S514I510-S512 PolarHBondContact O-N 3Å; S512-S514 PolarHBondContact O-N 2.83Å
513Y29.8Very low35.4Very low176 Ų176126.3 Ų126.369%0.6967%0.672SS**  trans-51.6112.1168-76.1-100.3000111.9C530Y513-C530 HydrophobicContact CE1-CB 4.02Å; Y513-C530 WeakPolarHBondContact OH-CA 3.44Å; Y513-C530 WeakPolarHBondContact OH-CB 3.45Å; Y513-C530 PolarHBondContact OH-N 2.94Å; Y513-C530 PolarHBondContact OH-SG 2.86Å; Y513-C530 VanDerWaalsContact OH-SG 3.33Å
514S29.6Very low36.8Very low98 Ų98119.2 Ų119.269%0.68565%0.645SS**  trans-172.3101.2150.661.60000109.6S512S512-S514 PolarHBondContact O-N 2.83Å
515S27.6Very low38.5Very low99 Ų99117 Ų11769%0.69263%0.629SS**  62.988.7107.969.70000114.9
516D27.4Very low40.1Very low145 Ų145115.5 Ų115.578%0.77561%0.607SS**  159103.2127.9-82.6-21.1000108.9
517F30.2Very low41.5Very low213 Ų213109.4 Ų109.493%0.93456%0.564SS**  trans173.6107.2142.7-94.5-68.9000108.5
518K27.8Very low42.9Very low205 Ų205109.9 Ų109.989%0.89155%0.549SS*.  trans-79.8114.7175.4-73175.6174.9176.50109.2
519V29.5Very low44.4Very low126 Ų126103.1 Ų103.176%0.76453%0.534SS*.  178117.2114.9176.90000106.5
520P41.1Very low45.4Very low60 Ų6096.5 Ų96.539%0.3952%0.515SS..  trans-124.7139.8142.5318.9000110.3F522P520-F522 HydrophobicContact CB-CD2 4.12Å; P520-F522 HydrophobicContact CB-CE2 4.08Å; P520-F522 VanDerWaalsContact CD-CE2 3.45Å; P520-F522 HydrophobicContact CG-CD2 3.97Å; P520-F522 HydrophobicContact CG-CE2 3.44Å; P520-F522 VanDerWaalsContact CG-CE2 3.44Å; P520-F522 HydrophobicContact CG-CZ 3.91Å; P520-F522 VanDerWaalsContact O-CD2 3.29Å; P520-F522 WeakPolarHBondContact O-CD2 3.08Å; P520-F522 PolarHBondContact O-N 2.84Å
521M38.3Very low46.5Very low164 Ų16493.4 Ų93.481%0.80851%0.508SS*.  trans-67.486.4163.9-159.1174.986.100106.7D523M521-D523 PolarHBondContact O-N 2.87Å
522F55.9Low48.6Very low115 Ų11588.6 Ų88.650%0.50448%0.476SS..  trans-67.8126.4-179.1-86.5-86.8000109.4P520 P524 R528P520-F522 HydrophobicContact CB-CD2 4.12Å; P520-F522 HydrophobicContact CB-CE2 4.08Å; P520-F522 VanDerWaalsContact CD-CE2 3.45Å; P520-F522 HydrophobicContact CG-CD2 3.97Å; P520-F522 HydrophobicContact CG-CE2 3.44Å; P520-F522 VanDerWaalsContact CG-CE2 3.44Å; P520-F522 HydrophobicContact CG-CZ 3.91Å; P520-F522 VanDerWaalsContact O-CD2 3.29Å; P520-F522 WeakPolarHBondContact O-CD2 3.08Å; P520-F522 PolarHBondContact O-N 2.84Å; F522-P524 WeakPolarHBondContact O-CD 3.12Å; F522-R528 HydrophobicContact CE1-CB 4.34Å
523D62.8Low50.6Low49 Ų4985.6 Ų85.626%0.26245%0.454SS..  trans-55110157.7174.3-1.8000106.9I146 M521 F525 K526I146-D523 HydrophobicContact CD1-CB 4Å; M521-D523 PolarHBondContact O-N 2.87Å; D523-F525 PolarHBondContact O-N 3.37Å; D523-F525 VanDerWaalsContact O-N 3.14Å; D523-F525 WeakPolarHBondContact OD1-CB 3.44Å; D523-F525 PolarHBondContact OD1-N 3.42Å; D523-K526 HydrophobicContact CB-CB 4.32Å; D523-K526 CarbonylContact O-C 3.49Å; D523-K526 PolarHBondContact O-N 3.47Å; D523-K526 WeakPolarHBondContact OD2-CD 3.28Å; D523-K526 WeakPolarHBondContact OD2-CG 3.29Å
524P64Low52.8Low41 Ų4177.6 Ų77.627%0.26642%0.424SS..THydrogen-bonded Turntrans-62.5-25-174.226.1-33.5000111.2F522 T803 M804 A807F522-P524 WeakPolarHBondContact O-CD 3.12Å; P524-T803 HydrophobicContact CB-CG2 3.99Å; P524-M804 WeakPolarHBondContact O-CG 2.99Å; P524-A807 HydrophobicContact CB-CB 3.53Å; P524-A807 HydrophobicContact CG-CB 3.35Å
525F76Confident55.2Low35 Ų3579.1 Ų79.115%0.15442%0.415CS..THydrogen-bonded Turntrans-83.3-14.4179.2-58.4-68.6000113.5D523 P527 G764 Y766 V769 M804 A807 V808D523-F525 PolarHBondContact O-N 3.37Å; D523-F525 VanDerWaalsContact O-N 3.14Å; D523-F525 WeakPolarHBondContact OD1-CB 3.44Å; D523-F525 PolarHBondContact OD1-N 3.42Å; F525-P527 WeakPolarHBondContact O-CD 3.43Å; F525-G764 WeakPolarHBondContact O-CA 3.25Å; F525-G764 PolarHBondContact O-N 3.38Å; F525-Y766 AromaticContact CE1-CD2 3.99Å; F525-Y766 HydrophobicContact CE1-CD2 3.99Å; F525-Y766 HydrophobicContact CE2-CD2 4.11Å; F525-Y766 AromaticContact CZ-CD2 3.61Å; F525-Y766 HydrophobicContact CZ-CD2 3.61Å; F525-Y766 HydrophobicContact CZ-CE2 4.03Å; F525-V769 HydrophobicContact CD1-CB 4.22Å; F525-V769 HydrophobicContact CD1-CG1 4.28Å; F525-V769 HydrophobicContact CD1-CG2 3.75Å; F525-V769 HydrophobicContact CE1-CB 4.14Å; F525-V769 HydrophobicContact CE1-CG1 4.02Å; F525-V769 HydrophobicContact CE1-CG2 4.19Å; F525-M804 WeakPolarHBondContact O-CE 3.33Å; F525-A807 HydrophobicContact CE1-CB 4.07Å; F525-A807 HydrophobicContact CE2-CB 4.09Å; F525-A807 HydrophobicContact CZ-CB 3.66Å; F525-A807 WeakPolarHBondContact CZ-O 3.39Å; F525-V808 HydrophobicContact CE1-CG2 3.69Å; F525-V808 HydrophobicContact CZ-CG2 4.06Å
526K69.5Low57.9Low22 Ų2279.3 Ų79.310%0.09641%0.405CS..SBendtrans-122.259.7176.5-66.7179.2-174.7164.60111.5I146 D523 R528 W763I146-K526 HydrophobicContact CB-CD 4.05Å; I146-K526 HydrophobicContact CG2-CB 4.49Å; I146-K526 HydrophobicContact CG2-CD 3.83Å; I146-K526 PolarHBondContact O-NZ 3.03Å; D523-K526 HydrophobicContact CB-CB 4.32Å; D523-K526 CarbonylContact O-C 3.49Å; D523-K526 PolarHBondContact O-N 3.47Å; D523-K526 WeakPolarHBondContact OD2-CD 3.28Å; D523-K526 WeakPolarHBondContact OD2-CG 3.29Å; K526-R528 PolarHBondContact O-N 3.5Å; K526-W763 HydrophobicContact CB-CZ2 4.18Å; K526-W763 HydrophobicContact CG-CZ2 4.32Å
527P67Low61Low6 Ų674.2 Ų74.24%0.03938%0.375CS..  trans-59.8139.7177.227.5-34.5000110.4F525 I759 W763 K800 M804F525-P527 WeakPolarHBondContact O-CD 3.43Å; P527-I759 HydrophobicContact CB-CD1 4.49Å; P527-I759 HydrophobicContact CG-CD1 3.71Å; P527-I759 HydrophobicContact CG-CG1 4.12Å; P527-W763 PolarHBondContact O-NE1 2.99Å; P527-K800 HydrophobicContact CB-CB 3.8Å; P527-K800 HydrophobicContact CB-CD 3.89Å; P527-K800 HydrophobicContact CB-CG 3.81Å; P527-K800 HydrophobicContact CG-CB 4.22Å; P527-M804 HydrophobicContact CG-CE 4.47Å; P527-M804 HydrophobicContact CG-CG 4.4Å; P527-M804 HydrophobicContact CG-SD 3.82Å
528R65.2Low64Low91 Ų9166.8 Ų66.834%0.34334%0.341SS..  trans-110.2146.8177.2-59-173.6-178.8-167.41.5110.2D130 F522 K526 K800D130-R528 PolarHBondContact O-NH1 2.86Å; F522-R528 HydrophobicContact CE1-CB 4.34Å; K526-R528 PolarHBondContact O-N 3.5Å; R528-K800 WeakPolarHBondContact O-CE 3.44Å; R528-K800 PolarHBondContact O-NZ 3.15Å
529G63.7Low67.2Low36 Ų3660.1 Ų60.137%0.37132%0.318SS..BIsolated β-bridgetrans162-173.6173.800000112.4G531 M532G529-G531 PolarHBondContact O-N 2.76Å; G529-M532 PolarHBondContact O-N 3.47Å
530C57.2Low70.3Confident53 Ų5355.3 Ų55.336%0.35829%0.287SS..THydrogen-bonded Turntrans-56.4120.8-179-161.10000111.2Y513 M532Y513-C530 HydrophobicContact CE1-CB 4.02Å; Y513-C530 WeakPolarHBondContact OH-CA 3.44Å; Y513-C530 WeakPolarHBondContact OH-CB 3.45Å; Y513-C530 PolarHBondContact OH-N 2.94Å; Y513-C530 PolarHBondContact OH-SG 2.86Å; Y513-C530 VanDerWaalsContact OH-SG 3.33Å; C530-M532 VanDerWaalsContact C-N 3.34Å; C530-M532 PolarHBondContact O-N 3.41Å
531G58.3Low72.5Confident34 Ų3457.8 Ų57.835%0.35130%0.296SS..THydrogen-bonded Turntrans68.324.2176.900000115.6G529 P533G529-G531 PolarHBondContact O-N 2.76Å; G531-P533 CarbonylContact O-C 3.59Å
532M70.8Confident74.7Confident13 Ų1353.7 Ų53.76%0.06428%0.284CS..BIsolated β-bridgetrans-126.1125.6177.9-75.3176.4-88.700113.4G529 C530 I759 L797 K800G529-M532 PolarHBondContact O-N 3.47Å; C530-M532 VanDerWaalsContact C-N 3.34Å; C530-M532 PolarHBondContact O-N 3.41Å; M532-I759 HydrophobicContact CG-CD1 4.1Å; M532-I759 HydrophobicContact CG-CG1 4.48Å; M532-I759 HydrophobicContact CG-CG2 3.86Å; M532-I759 HydrophobicContact SD-CD1 3.32Å; M532-I759 WeakPolarHBondContact SD-CD1 2.79Å; M532-I759 HydrophobicContact SD-CG1 4.28Å; M532-I759 HydrophobicContact SD-CG2 4.46Å; M532-L797 HydrophobicContact CE-CD2 3.56Å; M532-L797 HydrophobicContact CE-CG 4.01Å; M532-L797 HydrophobicContact CG-CD2 3.35Å; M532-L797 HydrophobicContact SD-CD2 3.27Å; M532-L797 WeakPolarHBondContact SD-CD2 3.41Å; M532-L797 HydrophobicContact SD-CG 4.25Å; M532-K800 HydrophobicContact CE-CD 3.6Å; M532-K800 HydrophobicContact SD-CD 3.65Å
533P71.8Confident76.1Confident16 Ų1650.5 Ų50.510%0.10427%0.274CS..SBendcis-65.6171-18.530.2-33.5000110.8G531 R535 T760 W763G531-P533 CarbonylContact O-C 3.59Å; P533-R535 PolarHBondContact O-N 3.34Å; P533-T760 HydrophobicContact CB-CG2 4.08Å; P533-W763 HydrophobicContact CB-CB 4.24Å; P533-W763 HydrophobicContact CB-CD2 4.21Å; P533-W763 HydrophobicContact CB-CG 3.99Å; P533-W763 HydrophobicContact CG-CD2 3.85Å; P533-W763 HydrophobicContact CG-CE3 4.13Å; P533-W763 HydrophobicContact CG-CG 4.16Å; P533-W763 HydrophobicContact CG-CZ2 4.44Å
534T75.5Confident77.1Confident9 Ų953.5 Ų53.56%0.05529%0.29CS..  trans-61.3131.7168.5-49.60000108.7Y538 Y709 T760T534-Y538 HydrophobicContact CG2-CE2 4.13Å; T534-Y709 WeakPolarHBondContact O-CD2 3.4Å; T534-T760 PolarHBondContact N-OG1 3.21Å; T534-T760 PolarHBondContact OG1-OG1 2.93Å
535R79.5Confident78.1Confident130 Ų13052.3 Ų52.349%0.49128%0.283SS..  trans-125.72.9-175.1-69.8-179.7-178.8-174.9-1.6114.4P533 Y709P533-R535 PolarHBondContact O-N 3.34Å; R535-Y709 WeakPolarHBondContact O-CE1 3.48Å; R535-Y709 VanDerWaalsContact O-CZ 3.25Å; R535-Y709 PolarHBondContact O-OH 2.96Å
536E85.2Confident78.4Confident103 Ų10357.4 Ų57.448%0.48131%0.308SS..SBendtrans-135.4149.2-177.8-64.5-174.5167.800109.8
537Y92.5Very high79.1Confident37 Ų3757.8 Ų57.815%0.14532%0.317CS..  trans-85.1128.2174-63.9-72000110.1F665 R671 N706 Y709 L710Y537-F665 HydrophobicContact CD1-CB 3.55Å; Y537-F665 HydrophobicContact CD1-CD1 4.11Å; Y537-F665 HydrophobicContact CD1-CG 4.12Å; Y537-F665 HydrophobicContact CE1-CB 3.91Å; Y537-F665 AromaticContact CE1-CD1 3.81Å; Y537-F665 HydrophobicContact CE1-CD1 3.81Å; Y537-F665 HydrophobicContact CE1-CG 4.25Å; Y537-F665 HydrophobicContact CG-CB 4.01Å; Y537-R671 VanDerWaalsContact CE2-CZ 3.5Å; Y537-N706 WeakPolarHBondContact CA-OD1 3.45Å; Y537-N706 HydrophobicContact CD1-CB 3.89Å; Y537-Y709 AromaticContact CD1-CD1 3.71Å; Y537-Y709 HydrophobicContact CD1-CD1 3.71Å; Y537-Y709 HydrophobicContact CD1-CE1 4.35Å; Y537-Y709 HydrophobicContact CD2-CD1 4.11Å; Y537-Y709 AromaticContact CD2-CE1 3.91Å; Y537-Y709 HydrophobicContact CD2-CE1 3.91Å; Y537-Y709 AromaticContact CE1-CD1 3.43Å; Y537-Y709 HydrophobicContact CE1-CD1 3.43Å; Y537-Y709 VanDerWaalsContact CE1-CD1 3.43Å; Y537-Y709 HydrophobicContact CE1-CE1 4.02Å; Y537-Y709 HydrophobicContact CE1-CG 4.32Å; Y537-Y709 AromaticContact CE2-CD1 3.83Å; Y537-Y709 HydrophobicContact CE2-CD1 3.83Å; Y537-Y709 AromaticContact CE2-CE1 3.51Å; Y537-Y709 HydrophobicContact CE2-CE1 3.51Å; Y537-Y709 HydrophobicContact CG-CD1 4.06Å; Y537-Y709 HydrophobicContact CG-CE1 4.31Å; Y537-Y709 AromaticContact CZ-CD1 3.48Å; Y537-Y709 VanDerWaalsContact CZ-CD1 3.48Å; Y537-Y709 AromaticContact CZ-CE1 3.58Å; Y537-L710 HydrophobicContact CE1-CB 4.38Å
538Y93.3Very high80.1Confident58 Ų5857.8 Ų57.823%0.22732%0.317CS..  trans-69.3132.6170.7-67.8-79.9000110.5T534 A705 N706 R753 Q756T534-Y538 HydrophobicContact CG2-CE2 4.13Å; Y538-A705 HydrophobicContact CD2-CB 3.65Å; Y538-A705 HydrophobicContact CE2-CB 3.54Å; Y538-N706 PolarHBondContact N-OD1 3.33Å; Y538-N706 PolarHBondContact O-ND2 3.19Å; Y538-R753 VanDerWaalsContact CE1-NE 3.3Å; Y538-R753 VanDerWaalsContact CE1-NH2 3.33Å; Y538-R753 HydrophobicContact CE2-CG 4.16Å; Y538-Q756 PolarHBondContact OH-OE1 2.69Å; Y538-Q756 VanDerWaalsContact OH-OE1 3.12Å
539T94.9Very high81Confident65 Ų6553.9 Ų53.940%0.39930%0.303SS..  trans-129.3159.5-178.862.40000111.8L615 N663 V666T539-L615 HydrophobicContact CG2-CD2 4.16Å; T539-N663 WeakPolarHBondContact CA-OD1 3.38Å; T539-V666 HydrophobicContact CG2-CG2 3.43Å; T539-V666 VanDerWaalsContact CG2-CG2 3.43Å
540F93.1Very high82.2Confident25 Ų2554.6 Ų54.611%0.1131%0.306CS..  trans-129.593.2179.3-65.1-85.6000110.5R611 R659 N663 V698 A699 S702F540-R611 PolarHBondContact O-NH1 3.5Å; F540-R659 HydrophobicContact CB-CB 4.03Å; F540-R659 HydrophobicContact CB-CG 3.98Å; F540-R659 HydrophobicContact CD1-CG 3.82Å; F540-R659 HydrophobicContact CD2-CB 3.91Å; F540-R659 HydrophobicContact CD2-CG 3.69Å; F540-R659 HydrophobicContact CE1-CG 4.19Å; F540-R659 HydrophobicContact CE2-CG 4.07Å; F540-R659 HydrophobicContact CG-CB 3.98Å; F540-R659 HydrophobicContact CG-CG 3.55Å; F540-R659 HydrophobicContact CZ-CG 4.3Å; F540-N663 PolarHBondContact N-OD1 2.92Å; F540-N663 PolarHBondContact O-ND2 3.44Å; F540-V698 HydrophobicContact CE1-CG1 4.2Å; F540-V698 HydrophobicContact CZ-CG1 4.21Å; F540-A699 HydrophobicContact CE2-CB 4.43Å; F540-A699 HydrophobicContact CZ-CB 4.19Å; F540-S702 WeakPolarHBondContact CZ-OG 3.17Å
541N89.2Confident83.8Confident111 Ų11157.1 Ų57.159%0.59431%0.311SS*.  trans-99.2-20.2-177.859.63.5000114.3V543 L615N541-V543 PolarHBondContact O-N 3.47Å; N541-L615 HydrophobicContact CB-CD1 3.87Å
542S83.9Confident85.4Confident78 Ų7855.8 Ų55.855%0.54530%0.296SS..  trans-70.1131.8-175.758.70000112.5R611S542-R611 VanDerWaalsContact O-CZ 3.27Å; S542-R611 PolarHBondContact O-NH1 3.28Å; S542-R611 PolarHBondContact O-NH2 3.21Å
543V84.6Confident86.5Confident49 Ų4959.2 Ų59.230%0.29731%0.31SS..  trans-148.5149.4-179.568.20000112.1N541 A545 L548 L612N541-V543 PolarHBondContact O-N 3.47Å; V543-A545 PolarHBondContact O-N 2.93Å; V543-L548 HydrophobicContact CG2-CB 4.48Å; V543-L548 HydrophobicContact CG2-CD2 3.91Å; V543-L612 HydrophobicContact CB-CD1 4.02Å; V543-L612 HydrophobicContact CB-CD2 4.33Å; V543-L612 HydrophobicContact CG1-CD1 3.75Å; V543-L612 HydrophobicContact CG1-CD2 4.37Å; V543-L612 HydrophobicContact CG2-CD1 4.07Å
544N84.5Confident87.5Confident111 Ų11162.9 Ų62.959%0.59433%0.332SS*.  trans-90.389.4162.7178-5.5000108.8E546 G547 L548N544-E546 VanDerWaalsContact C-N 3.33Å; N544-E546 PolarHBondContact O-N 2.63Å; N544-E546 PolarHBondContact OD1-N 3.32Å; N544-G547 PolarHBondContact O-N 2.86Å; N544-G547 PolarHBondContact OD1-N 3.21Å; N544-L548 VanDerWaalsContact O-CB 3.32Å; N544-L548 WeakPolarHBondContact O-CB 3.38Å; N544-L548 PolarHBondContact O-N 3.34Å
545A84.1Confident88.4Confident16 Ų1664.5 Ų64.513%0.13234%0.339CS..Hα-helixtrans-58.8-40.5-17500000113V543 L548 T549 A577 R578V543-A545 PolarHBondContact O-N 2.93Å; A545-L548 PolarHBondContact O-N 3.4Å; A545-T549 WeakPolarHBondContact O-CB 3.37Å; A545-T549 WeakPolarHBondContact O-CG2 3.34Å; A545-T549 PolarHBondContact O-N 3.11Å; A545-T549 PolarHBondContact O-OG1 3.4Å; A545-A577 HydrophobicContact CB-CB 4.38Å; A545-A577 WeakPolarHBondContact CB-O 3.49Å; A545-R578 HydrophobicContact CB-CG 3.87Å
546E82.4Confident89.1Confident143 Ų14359 Ų5967%0.66832%0.319SS*.Hα-helixtrans-65.6-46.7179.5-64.6-178174.900111.8N544 T549 A550N544-E546 VanDerWaalsContact C-N 3.33Å; N544-E546 PolarHBondContact O-N 2.63Å; N544-E546 PolarHBondContact OD1-N 3.32Å; E546-T549 PolarHBondContact O-N 3.29Å; E546-T549 PolarHBondContact O-OG1 3.23Å; E546-T549 VanDerWaalsContact O-OG1 3.11Å; E546-A550 VanDerWaalsContact O-CB 3.31Å; E546-A550 WeakPolarHBondContact O-CB 3.43Å; E546-A550 PolarHBondContact O-N 3.45Å
547G84.7Confident89.5Confident29 Ų2960 Ų6030%0.29933%0.332SS..Hα-helixtrans-66.3-37.8178.300000113N544 K551N544-G547 PolarHBondContact O-N 2.86Å; N544-G547 PolarHBondContact OD1-N 3.21Å; G547-K551 WeakPolarHBondContact O-CG 3.48Å; G547-K551 PolarHBondContact O-N 3.23Å
548L87.1Confident89.5Confident7 Ų761.3 Ų61.34%0.03735%0.35CS..Hα-helixtrans-61.1-53175.9177.163.6000111.1V543 N544 A545 K551 L552 A577 P605 D608 C609 L612V543-L548 HydrophobicContact CG2-CB 4.48Å; V543-L548 HydrophobicContact CG2-CD2 3.91Å; N544-L548 VanDerWaalsContact O-CB 3.32Å; N544-L548 WeakPolarHBondContact O-CB 3.38Å; N544-L548 PolarHBondContact O-N 3.34Å; A545-L548 PolarHBondContact O-N 3.4Å; L548-K551 PolarHBondContact O-N 3.34Å; L548-L552 HydrophobicContact CG-CD1 4.42Å; L548-L552 PolarHBondContact O-N 3.35Å; L548-A577 HydrophobicContact CD2-CB 3.97Å; L548-P605 HydrophobicContact CD1-CB 3.73Å; L548-P605 WeakPolarHBondContact CD1-O 3.5Å; L548-D608 HydrophobicContact CD1-CB 3.83Å; L548-C609 HydrophobicContact CD2-CB 4.14Å; L548-L612 HydrophobicContact CD2-CD1 4.46Å
549T85.1Confident89.5Confident8 Ų859.1 Ų59.15%0.04934%0.342CS..Hα-helixtrans-70.3-36.7-173.654.10000112.2A545 E546 K551 L552 K553 E574 A577A545-T549 WeakPolarHBondContact O-CB 3.37Å; A545-T549 WeakPolarHBondContact O-CG2 3.34Å; A545-T549 PolarHBondContact O-N 3.11Å; A545-T549 PolarHBondContact O-OG1 3.4Å; E546-T549 PolarHBondContact O-N 3.29Å; E546-T549 PolarHBondContact O-OG1 3.23Å; E546-T549 VanDerWaalsContact O-OG1 3.11Å; T549-K551 VanDerWaalsContact C-N 3.34Å; T549-K551 PolarHBondContact O-N 3.24Å; T549-L552 PolarHBondContact O-N 3.28Å; T549-K553 WeakPolarHBondContact O-CG 3.48Å; T549-K553 PolarHBondContact O-N 3.06Å; T549-K553 VanDerWaalsContact O-N 3.12Å; T549-E574 VanDerWaalsContact CG2-CA 3.48Å; T549-E574 HydrophobicContact CG2-CB 3.58Å; T549-E574 HydrophobicContact CG2-CG 3.72Å; T549-A577 HydrophobicContact CG2-CB 4.26Å
550A89.2Confident89.3Confident52 Ų5260.3 Ų60.343%0.4335%0.347SS..Hα-helixtrans-59.1-44.5171.700000111.9E546 K553 V554E546-A550 VanDerWaalsContact O-CB 3.31Å; E546-A550 WeakPolarHBondContact O-CB 3.43Å; E546-A550 PolarHBondContact O-N 3.45Å; A550-K553 PolarHBondContact O-N 2.86Å; A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.18Å; A550-V554 PolarHBondContact O-N 3.02Å; A550-V554 VanDerWaalsContact O-N 3.09Å
551K91.4Very high89.1Confident106 Ų10664 Ų6446%0.46138%0.375SS..Hα-helixtrans-68-42.1178.5-74.9-176179.4-179.10112.9G547 L548 T549 K553 V554 F555 P605G547-K551 WeakPolarHBondContact O-CG 3.48Å; G547-K551 PolarHBondContact O-N 3.23Å; L548-K551 PolarHBondContact O-N 3.34Å; T549-K551 VanDerWaalsContact C-N 3.34Å; T549-K551 PolarHBondContact O-N 3.24Å; K551-K553 VanDerWaalsContact C-N 3.29Å; K551-K553 PolarHBondContact O-N 3.34Å; K551-V554 PolarHBondContact O-N 3.46Å; K551-F555 HydrophobicContact CB-CE2 4.48Å; K551-F555 WeakPolarHBondContact O-CB 3.14Å; K551-F555 WeakPolarHBondContact O-CG 3.35Å; K551-F555 PolarHBondContact O-N 3.5Å; K551-P605 HydrophobicContact CB-CB 4.05Å; K551-P605 HydrophobicContact CB-CG 4.12Å
552L91.5Very high89.2Confident6 Ų667.5 Ų67.53%0.03139%0.385CS..Hα-helixtrans-56.4-45.2175.5-74.7175.4000111.3L548 T549 F555 N556 L570 P605 V606 C609L548-L552 HydrophobicContact CG-CD1 4.42Å; L548-L552 PolarHBondContact O-N 3.35Å; T549-L552 PolarHBondContact O-N 3.28Å; L552-F555 PolarHBondContact O-N 3.01Å; L552-N556 VanDerWaalsContact O-CB 3.27Å; L552-N556 WeakPolarHBondContact O-CB 3.33Å; L552-N556 PolarHBondContact O-N 3.04Å; L552-L570 HydrophobicContact CB-CD2 4.09Å; L552-P605 HydrophobicContact CD2-CB 3.84Å; L552-P605 HydrophobicContact CD2-CG 4.12Å; L552-P605 HydrophobicContact CG-CB 4Å; L552-V606 HydrophobicContact CD2-CG2 4.01Å; L552-C609 HydrophobicContact CD1-CB 4.37Å
553K92.3Very high89.6Confident85 Ų8566.8 Ų66.837%0.3738%0.375SS..Hα-helixtrans-62.6-46.7177.1-71.6173.8-178.5174.70112.2T549 A550 K551 F555 N556 V557 L570 E574T549-K553 WeakPolarHBondContact O-CG 3.48Å; T549-K553 PolarHBondContact O-N 3.06Å; T549-K553 VanDerWaalsContact O-N 3.12Å; A550-K553 PolarHBondContact O-N 2.86Å; K551-K553 VanDerWaalsContact C-N 3.29Å; K551-K553 PolarHBondContact O-N 3.34Å; K553-F555 PolarHBondContact O-N 3.36Å; K553-N556 PolarHBondContact O-N 3.09Å; K553-V557 WeakPolarHBondContact O-CG2 3.41Å; K553-V557 PolarHBondContact O-N 3.33Å; K553-L570 HydrophobicContact CG-CD1 4.37Å; K553-E574 WeakPolarHBondContact CE-OE2 3.43Å; K553-E574 VanDerWaalsContact NZ-CD 3.3Å; K553-E574 IonicContact NZ-OE1 3.47Å; K553-E574 PolarHBondContact NZ-OE1 3.08Å; K553-E574 IonicContact NZ-OE2 2.86Å; K553-E574 PolarHBondContact NZ-OE2 3.17Å
554V93.6Very high89.9Confident92 Ų9266 Ų6656%0.55837%0.374SS*.Hα-helixtrans-61.4-45.1178.9171.10000111.1A550 K551 V557 A558A550-V554 VanDerWaalsContact O-CG2 3.32Å; A550-V554 WeakPolarHBondContact O-CG2 3.18Å; A550-V554 PolarHBondContact O-N 3.02Å; A550-V554 VanDerWaalsContact O-N 3.09Å; K551-V554 PolarHBondContact O-N 3.46Å; V554-V557 PolarHBondContact O-N 2.56Å; V554-A558 PolarHBondContact O-N 3.47Å; V554-A558 VanDerWaalsContact O-N 3.15Å
555F93.9Very high90.3Very high44 Ų4461.1 Ų61.119%0.19335%0.347CS..Hα-helixtrans-73.8-31.5-178.6-65.2-14.2000113K551 L552 K553 V557 A558 V559 W598 F602 P605K551-F555 HydrophobicContact CB-CE2 4.48Å; K551-F555 WeakPolarHBondContact O-CB 3.14Å; K551-F555 WeakPolarHBondContact O-CG 3.35Å; K551-F555 PolarHBondContact O-N 3.5Å; L552-F555 PolarHBondContact O-N 3.01Å; K553-F555 PolarHBondContact O-N 3.36Å; F555-V557 PolarHBondContact O-N 2.78Å; F555-A558 PolarHBondContact O-N 2.96Å; F555-V559 WeakPolarHBondContact O-CB 3.41Å; F555-V559 PolarHBondContact O-N 3.21Å; F555-W598 HydrophobicContact CB-CE3 4.19Å; F555-W598 HydrophobicContact CB-CH2 4.41Å; F555-W598 HydrophobicContact CB-CZ3 3.61Å; F555-F602 HydrophobicContact CB-CB 4.1Å; F555-F602 HydrophobicContact CB-CD1 4.26Å; F555-F602 HydrophobicContact CB-CG 4.11Å; F555-F602 AromaticContact CD1-CD1 3.71Å; F555-F602 HydrophobicContact CD1-CD1 3.71Å; F555-F602 HydrophobicContact CD1-CE1 4.08Å; F555-F602 HydrophobicContact CD1-CG 4.42Å; F555-F602 HydrophobicContact CD2-CB 3.77Å; F555-F602 AromaticContact CD2-CD1 3.93Å; F555-F602 HydrophobicContact CD2-CD1 3.93Å; F555-F602 HydrophobicContact CD2-CG 4.16Å; F555-F602 AromaticContact CE1-CD1 3.96Å; F555-F602 HydrophobicContact CE1-CD1 3.96Å; F555-F602 HydrophobicContact CE1-CE1 4.28Å; F555-F602 HydrophobicContact CE2-CB 4.4Å; F555-F602 HydrophobicContact CE2-CD1 4.16Å; F555-F602 HydrophobicContact CG-CB 4.04Å; F555-F602 AromaticContact CG-CD1 3.71Å; F555-F602 HydrophobicContact CG-CD1 3.71Å; F555-F602 HydrophobicContact CG-CE1 4.47Å; F555-F602 HydrophobicContact CG-CG 4Å; F555-F602 HydrophobicContact CZ-CD1 4.17Å; F555-P605 HydrophobicContact CD2-CG 3.57Å; F555-P605 HydrophobicContact CE2-CG 3.71Å
556N94.1Very high90.7Very high15 Ų1566 Ų668%0.0837%0.368CS..Hα-helixtrans-62.3-29.7172.9-164.656.9000112.7L552 K553 A564 I565 L570 W598L552-N556 VanDerWaalsContact O-CB 3.27Å; L552-N556 WeakPolarHBondContact O-CB 3.33Å; L552-N556 PolarHBondContact O-N 3.04Å; K553-N556 PolarHBondContact O-N 3.09Å; N556-A564 WeakPolarHBondContact OD1-CA 3.14Å; N556-I565 PolarHBondContact ND2-O 3.27Å; N556-I565 VanDerWaalsContact OD1-CG1 3.29Å; N556-I565 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I565 PolarHBondContact OD1-N 3.47Å; N556-L570 HydrophobicContact CB-CD1 3.91Å; N556-L570 WeakPolarHBondContact ND2-CD1 3.44Å; N556-W598 HydrophobicContact CB-CH2 3.75Å; N556-W598 HydrophobicContact CB-CZ2 4.12Å; N556-W598 VanDerWaalsContact OD1-CZ2 3.3Å; N556-W598 WeakPolarHBondContact OD1-CZ2 3.32Å
557V94Very high91Very high124 Ų12464 Ų6475%0.75237%0.367SS*.Hα-helixtrans-80.9-30.1174.4177.20000111.6K553 V554 F555K553-V557 WeakPolarHBondContact O-CG2 3.41Å; K553-V557 PolarHBondContact O-N 3.33Å; V554-V557 PolarHBondContact O-N 2.56Å; F555-V557 PolarHBondContact O-N 2.78Å
558A93Very high91.3Very high63 Ų6365.3 Ų65.352%0.52138%0.375SS..Hα-helixtrans-84.3-25.6-176.600000114.2V554 F555 F602V554-A558 PolarHBondContact O-N 3.47Å; V554-A558 VanDerWaalsContact O-N 3.15Å; F555-A558 PolarHBondContact O-N 2.96Å; A558-F602 HydrophobicContact CB-CZ 4.18Å
559V93.3Very high91.4Very high12 Ų1266.3 Ų66.37%0.07338%0.379CS..SBendtrans-71.8158.3179.275.80000111.4F555 S561 L563 A564 W598 F602F555-V559 WeakPolarHBondContact O-CB 3.41Å; F555-V559 PolarHBondContact O-N 3.21Å; V559-S561 PolarHBondContact O-N 2.99Å; V559-L563 HydrophobicContact CG1-CB 4.39Å; V559-L563 HydrophobicContact CG2-CB 3.81Å; V559-L563 HydrophobicContact CG2-CD1 3.99Å; V559-A564 HydrophobicContact CG1-CB 4.08Å; V559-W598 HydrophobicContact CG1-CZ2 4.12Å; V559-W598 HydrophobicContact CG2-CB 4.5Å; V559-W598 HydrophobicContact CG2-CD2 4.36Å; V559-W598 HydrophobicContact CG2-CG 4.02Å; V559-F602 HydrophobicContact CB-CD2 4.37Å; V559-F602 HydrophobicContact CB-CE2 4.47Å; V559-F602 HydrophobicContact CG2-CD2 4.44Å
560D90.6Very high91.6Very high91 Ų9166.7 Ų66.749%0.48738%0.381SS..  trans-51132.2171.6-172.7-51.7000110K562 L563 A564D560-K562 PolarHBondContact O-N 3.17Å; D560-K562 WeakPolarHBondContact OD1-CB 3.15Å; D560-K562 WeakPolarHBondContact OD1-CG 3.31Å; D560-K562 PolarHBondContact OD1-N 2.72Å; D560-L563 WeakPolarHBondContact O-CA 3.37Å; D560-L563 PolarHBondContact O-N 2.99Å; D560-A564 PolarHBondContact O-N 3.45Å
561S89.5Confident91.5Very high102 Ų10267.6 Ų67.671%0.71338%0.381SS*.THydrogen-bonded Turntrans-48-27.4178.559.10000115V559 L563V559-S561 PolarHBondContact O-N 2.99Å; S561-L563 VanDerWaalsContact C-N 3.31Å
562K91.1Very high91.3Very high185 Ų18564.8 Ų64.880%0.80437%0.371SS*.THydrogen-bonded Turntrans-72.2-22.2176.3-65.6177.3-178.2175.10113.8D560D560-K562 PolarHBondContact O-N 3.17Å; D560-K562 WeakPolarHBondContact OD1-CB 3.15Å; D560-K562 WeakPolarHBondContact OD1-CG 3.31Å; D560-K562 PolarHBondContact OD1-N 2.72Å
563L91.1Very high91.1Very high63 Ų6364.6 Ų64.633%0.3337%0.37SS..THydrogen-bonded Turntrans-104-11.9179.5-63.2177.1000112.6V559 D560 S561 W598V559-L563 HydrophobicContact CG1-CB 4.39Å; V559-L563 HydrophobicContact CG2-CB 3.81Å; V559-L563 HydrophobicContact CG2-CD1 3.99Å; D560-L563 WeakPolarHBondContact O-CA 3.37Å; D560-L563 PolarHBondContact O-N 2.99Å; S561-L563 VanDerWaalsContact C-N 3.31Å; L563-W598 PolarHBondContact O-NE1 2.95Å
564A92.2Very high90.7Very high33 Ų3361.5 Ų61.527%0.27336%0.357SS..PPolyproline II helixtrans-64.4142.5176.500000111.1N556 V559 D560N556-A564 WeakPolarHBondContact OD1-CA 3.14Å; V559-A564 HydrophobicContact CG1-CB 4.08Å; D560-A564 PolarHBondContact O-N 3.45Å
565I92.2Very high90.4Very high7 Ų759.3 Ų59.34%0.03634%0.342CS..PPolyproline II helixtrans-100.5157.1177.361.5162.2000111.3N556 L570 L573 C595N556-I565 PolarHBondContact ND2-O 3.27Å; N556-I565 VanDerWaalsContact OD1-CG1 3.29Å; N556-I565 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I565 PolarHBondContact OD1-N 3.47Å; I565-L570 HydrophobicContact CD1-CD2 3.67Å; I565-L570 HydrophobicContact CD1-CG 3.82Å; I565-L570 HydrophobicContact CG1-CD2 4.15Å; I565-L570 HydrophobicContact CG1-CG 4.03Å; I565-L573 HydrophobicContact CD1-CD1 4.31Å; I565-C595 VanDerWaalsContact CG2-SG 3.58Å
566E91.7Very high90Very high119 Ų11958.5 Ų58.556%0.55634%0.338SS*.PPolyproline II helixtrans-63.6139.2-178.5-66.1-171.4176.600111.8A568 H569 L570E566-A568 PolarHBondContact O-N 3.41Å; E566-A568 VanDerWaalsContact O-N 3.11Å; E566-H569 PolarHBondContact O-N 3.22Å; E566-H569 IonicContact OE2-CE1 2.71Å; E566-L570 PolarHBondContact O-N 3.03Å
567P89.5Confident89.5Confident100 Ų10057.9 Ų57.965%0.64934%0.336SS*.Hα-helixtrans-55.7-30.5179.3-27.735.1000114.3H569 L570 V571P567-H569 PolarHBondContact O-N 3Å; P567-L570 WeakPolarHBondContact O-CB 3.32Å; P567-L570 PolarHBondContact O-N 3.06Å; P567-V571 WeakPolarHBondContact O-CG2 3.43Å; P567-V571 PolarHBondContact O-N 3.11Å
568A90.1Very high89Confident58 Ų5857.3 Ų57.348%0.47932%0.32SS..Hα-helixtrans-62.6-41.2177.100000112.1E566 V571 I572E566-A568 PolarHBondContact O-N 3.41Å; E566-A568 VanDerWaalsContact O-N 3.11Å; A568-V571 WeakPolarHBondContact O-CB 3.39Å; A568-V571 PolarHBondContact O-N 2.77Å; A568-I572 PolarHBondContact O-N 3.5Å
569H90.4Very high88Confident27 Ų2761 Ų6113%0.12533%0.331CS..Hα-helixtrans-72.1-31.2179.3-55.2155.9000111.8E566 P567 V571 I572 L573 S591E566-H569 PolarHBondContact O-N 3.22Å; E566-H569 IonicContact OE2-CE1 2.71Å; P567-H569 PolarHBondContact O-N 3Å; H569-V571 VanDerWaalsContact C-N 3.3Å; H569-V571 PolarHBondContact O-N 3.43Å; H569-I572 PolarHBondContact O-N 3.02Å; H569-L573 WeakPolarHBondContact O-CG 3.12Å; H569-L573 PolarHBondContact O-N 2.87Å; H569-S591 PolarHBondContact ND1-OG 3.21Å
570L88Confident86.5Confident17 Ų1763.2 Ų63.29%0.08934%0.344CS..Hα-helixtrans-61.4-37.8170.7-77172.6000112.3L552 K553 N556 I565 E566 P567 E574L552-L570 HydrophobicContact CB-CD2 4.09Å; K553-L570 HydrophobicContact CG-CD1 4.37Å; N556-L570 HydrophobicContact CB-CD1 3.91Å; N556-L570 WeakPolarHBondContact ND2-CD1 3.44Å; I565-L570 HydrophobicContact CD1-CD2 3.67Å; I565-L570 HydrophobicContact CD1-CG 3.82Å; I565-L570 HydrophobicContact CG1-CD2 4.15Å; I565-L570 HydrophobicContact CG1-CG 4.03Å; E566-L570 PolarHBondContact O-N 3.03Å; P567-L570 WeakPolarHBondContact O-CB 3.32Å; P567-L570 PolarHBondContact O-N 3.06Å; L570-E574 VanDerWaalsContact O-CB 3.29Å; L570-E574 WeakPolarHBondContact O-CB 3.4Å; L570-E574 PolarHBondContact O-N 3Å
571V87.8Confident85.2Confident70 Ų7067 Ų6742%0.42437%0.365SS..Hα-helixtrans-66.9-41.1176.7175.10000110.9P567 A568 H569 E574 N575P567-V571 WeakPolarHBondContact O-CG2 3.43Å; P567-V571 PolarHBondContact O-N 3.11Å; A568-V571 WeakPolarHBondContact O-CB 3.39Å; A568-V571 PolarHBondContact O-N 2.77Å; H569-V571 VanDerWaalsContact C-N 3.3Å; H569-V571 PolarHBondContact O-N 3.43Å; V571-E574 WeakPolarHBondContact O-CB 3.43Å; V571-E574 PolarHBondContact O-N 3.46Å; V571-N575 PolarHBondContact O-N 2.78Å
572I87.5Confident84Confident48 Ų4866.1 Ų66.125%0.24635%0.352CS..Hα-helixtrans-62.6-46.8176.5-62.7170.1000110.7A568 H569 E574 N575 F576 T585 A588A568-I572 PolarHBondContact O-N 3.5Å; H569-I572 PolarHBondContact O-N 3.02Å; I572-E574 VanDerWaalsContact C-N 3.25Å; I572-E574 PolarHBondContact O-N 3.5Å; I572-N575 PolarHBondContact O-N 3.11Å; I572-F576 WeakPolarHBondContact O-CB 3.36Å; I572-F576 PolarHBondContact O-N 3.28Å; I572-T585 HydrophobicContact CD1-CG2 4.32Å; I572-A588 HydrophobicContact CB-CB 4.1Å; I572-A588 HydrophobicContact CD1-CB 4.43Å; I572-A588 HydrophobicContact CG2-CB 3.64Å
573L86.6Confident83.4Confident2 Ų262.8 Ų62.81%0.0135%0.347CS..Hα-helixtrans-63.1-33176.5-66.8175.4000112.1I565 H569 A577 I584 A588 L592I565-L573 HydrophobicContact CD1-CD1 4.31Å; H569-L573 WeakPolarHBondContact O-CG 3.12Å; H569-L573 PolarHBondContact O-N 2.87Å; L573-A577 WeakPolarHBondContact O-CB 3.32Å; L573-A577 PolarHBondContact O-N 3.22Å; L573-I584 HydrophobicContact CD2-CD1 4.24Å; L573-A588 HydrophobicContact CD2-CB 4.44Å; L573-L592 HydrophobicContact CD1-CB 4.37Å; L573-L592 HydrophobicContact CD1-CD1 4.3Å; L573-L592 HydrophobicContact CD2-CB 4.3Å; L573-L592 HydrophobicContact CD2-CD2 4.31Å
574E85.1Confident83.1Confident19 Ų1960.1 Ų60.19%0.08933%0.333CS..Hα-helixtrans-69.2-45.3175.7166.4177-162.100113.1T549 K553 L570 V571 I572 A577 R578T549-E574 VanDerWaalsContact CG2-CA 3.48Å; T549-E574 HydrophobicContact CG2-CB 3.58Å; T549-E574 HydrophobicContact CG2-CG 3.72Å; K553-E574 WeakPolarHBondContact CE-OE2 3.43Å; K553-E574 VanDerWaalsContact NZ-CD 3.3Å; K553-E574 IonicContact NZ-OE1 3.47Å; K553-E574 PolarHBondContact NZ-OE1 3.08Å; K553-E574 IonicContact NZ-OE2 2.86Å; K553-E574 PolarHBondContact NZ-OE2 3.17Å; L570-E574 VanDerWaalsContact O-CB 3.29Å; L570-E574 WeakPolarHBondContact O-CB 3.4Å; L570-E574 PolarHBondContact O-N 3Å; V571-E574 WeakPolarHBondContact O-CB 3.43Å; V571-E574 PolarHBondContact O-N 3.46Å; I572-E574 VanDerWaalsContact C-N 3.25Å; I572-E574 PolarHBondContact O-N 3.5Å; E574-A577 PolarHBondContact O-N 3.37Å; E574-R578 VanDerWaalsContact CG-NH1 3.29Å; E574-R578 WeakPolarHBondContact O-CG 3.32Å; E574-R578 PolarHBondContact O-N 3.01Å; E574-R578 IonicContact OE1-CZ 2.84Å; E574-R578 IonicContact OE1-NH1 3.34Å; E574-R578 PolarHBondContact OE1-NH1 3.38Å; E574-R578 IonicContact OE1-NH2 3.18Å; E574-R578 PolarHBondContact OE1-NH2 3.11Å
575N86Confident83.1Confident47 Ų4760.5 Ų60.525%0.25133%0.332SS..Hα-helixtrans-61.1-49174.6-74.72.8000110.2V571 I572 A577 R578 T580 D582V571-N575 PolarHBondContact O-N 2.78Å; I572-N575 PolarHBondContact O-N 3.11Å; N575-A577 VanDerWaalsContact C-N 3.34Å; N575-A577 PolarHBondContact O-N 3.14Å; N575-R578 WeakPolarHBondContact O-CA 3.41Å; N575-R578 WeakPolarHBondContact O-CB 3.49Å; N575-R578 PolarHBondContact O-N 3.39Å; N575-T580 WeakPolarHBondContact CB-OG1 3.48Å; N575-T580 PolarHBondContact O-N 3.07Å; N575-T580 PolarHBondContact O-OG1 2.74Å; N575-D582 HydrophobicContact CB-CB 4.47Å; N575-D582 WeakPolarHBondContact CB-OD2 3.05Å; N575-D582 PolarHBondContact ND2-OD2 3.18Å
576F86.7Confident83Confident26 Ų2664.2 Ų64.211%0.11435%0.352CS..Hα-helixtrans-55.7-46.5177.3-179.5-99.3000112.4I572 R578 N579 I584 L612 V613 T616I572-F576 WeakPolarHBondContact O-CB 3.36Å; I572-F576 PolarHBondContact O-N 3.28Å; F576-R578 PolarHBondContact O-N 2.81Å; F576-R578 VanDerWaalsContact O-N 3.17Å; F576-N579 PolarHBondContact O-N 2.78Å; F576-N579 VanDerWaalsContact O-N 3.1Å; F576-I584 HydrophobicContact CD1-CD1 4.27Å; F576-I584 HydrophobicContact CD2-CB 4.06Å; F576-I584 HydrophobicContact CD2-CD1 4.43Å; F576-I584 HydrophobicContact CE2-CB 4.36Å; F576-I584 HydrophobicContact CG-CD1 4.23Å; F576-L612 HydrophobicContact CE1-CB 3.88Å; F576-V613 HydrophobicContact CD1-CG2 3.98Å; F576-V613 HydrophobicContact CE1-CB 4.28Å; F576-V613 HydrophobicContact CE1-CG2 3.53Å; F576-V613 HydrophobicContact CZ-CG2 4.21Å; F576-T616 HydrophobicContact CE2-CG2 3.74Å; F576-T616 HydrophobicContact CZ-CG2 3.69Å
577A83.3Confident83Confident3 Ų363.8 Ų63.83%0.02535%0.35CS..Hα-helixtrans-63.6-20.8178.100000114A545 L548 T549 L573 E574 N575 N579 L612A545-A577 HydrophobicContact CB-CB 4.38Å; A545-A577 WeakPolarHBondContact CB-O 3.49Å; L548-A577 HydrophobicContact CD2-CB 3.97Å; T549-A577 HydrophobicContact CG2-CB 4.26Å; L573-A577 WeakPolarHBondContact O-CB 3.32Å; L573-A577 PolarHBondContact O-N 3.22Å; E574-A577 PolarHBondContact O-N 3.37Å; N575-A577 VanDerWaalsContact C-N 3.34Å; N575-A577 PolarHBondContact O-N 3.14Å; A577-N579 VanDerWaalsContact C-N 3.33Å; A577-L612 HydrophobicContact CB-CD1 4.46Å
578R82.5Confident83.1Confident111 Ų11159 Ų5942%0.41932%0.319SS..THydrogen-bonded Turntrans-86.64.5176.8-74-178.1178.3130.68.2113.9A545 E574 N575 F576 T580A545-R578 HydrophobicContact CB-CG 3.87Å; E574-R578 VanDerWaalsContact CG-NH1 3.29Å; E574-R578 WeakPolarHBondContact O-CG 3.32Å; E574-R578 PolarHBondContact O-N 3.01Å; E574-R578 IonicContact OE1-CZ 2.84Å; E574-R578 IonicContact OE1-NH1 3.34Å; E574-R578 PolarHBondContact OE1-NH1 3.38Å; E574-R578 IonicContact OE1-NH2 3.18Å; E574-R578 PolarHBondContact OE1-NH2 3.11Å; N575-R578 WeakPolarHBondContact O-CA 3.41Å; N575-R578 WeakPolarHBondContact O-CB 3.49Å; N575-R578 PolarHBondContact O-N 3.39Å; F576-R578 PolarHBondContact O-N 2.81Å; F576-R578 VanDerWaalsContact O-N 3.17Å; R578-T580 HydrophobicContact CB-CG2 4.29Å; R578-T580 PolarHBondContact O-N 3.13Å
579N72.8Confident83.3Confident142 Ų14256.3 Ų56.376%0.75930%0.296SS*.THydrogen-bonded Turntrans54.338.9-171.6-74.6-11.1000112.6F576 A577F576-N579 PolarHBondContact O-N 2.78Å; F576-N579 VanDerWaalsContact O-N 3.1Å; A577-N579 VanDerWaalsContact C-N 3.33Å
580T61Low83.4Confident57 Ų5758.1 Ų58.135%0.3531%0.307SS..  trans-71.5147.1163.355.50000108.5N575 R578 D582N575-T580 WeakPolarHBondContact CB-OG1 3.48Å; N575-T580 PolarHBondContact O-N 3.07Å; N575-T580 PolarHBondContact O-OG1 2.74Å; R578-T580 HydrophobicContact CB-CG2 4.29Å; R578-T580 PolarHBondContact O-N 3.13Å; T580-D582 PolarHBondContact O-N 3.02Å
581D63.4Low83.6Confident171 Ų17157.3 Ų57.391%0.91430%0.303SS*.SBendtrans-60.49.1175.6-64.4-42.4000114.4V583D581-V583 PolarHBondContact O-N 3.33Å
582D65.7Low83.9Confident84 Ų8454 Ų5445%0.44928%0.283SS..PPolyproline II helixtrans-67.1126.6177-78.6-15000111.1N575 T580N575-D582 HydrophobicContact CB-CB 4.47Å; N575-D582 WeakPolarHBondContact CB-OD2 3.05Å; N575-D582 PolarHBondContact ND2-OD2 3.18Å; T580-D582 PolarHBondContact O-N 3.02Å
583V77.3Confident84.2Confident115 Ų11554.3 Ų54.370%0.69728%0.281SS*.PPolyproline II helixtrans-76.1127.3176.1-177.60000109.7D581 T585D581-V583 PolarHBondContact O-N 3.33Å; V583-T585 PolarHBondContact O-N 2.96Å
584I86.2Confident84.4Confident6 Ų658.8 Ų58.83%0.03130%0.297CS..PPolyproline II helixtrans-64.5128.6174.8-165.3162.2000111.2L573 F576 A588 L589 V613 K618L573-I584 HydrophobicContact CD2-CD1 4.24Å; F576-I584 HydrophobicContact CD1-CD1 4.27Å; F576-I584 HydrophobicContact CD2-CB 4.06Å; F576-I584 HydrophobicContact CD2-CD1 4.43Å; F576-I584 HydrophobicContact CE2-CB 4.36Å; F576-I584 HydrophobicContact CG-CD1 4.23Å; I584-A588 HydrophobicContact CG1-CB 4.27Å; I584-L589 HydrophobicContact CD1-CD2 3.56Å; I584-L589 HydrophobicContact CD1-CG 4.22Å; I584-L589 HydrophobicContact CG1-CD2 3.96Å; I584-L589 HydrophobicContact CG1-CG 4.08Å; I584-L589 HydrophobicContact CG2-CD1 4.49Å; I584-L589 HydrophobicContact CG2-CD2 4.39Å; I584-V613 HydrophobicContact CD1-CB 4.35Å; I584-V613 HydrophobicContact CD1-CG1 4.03Å; I584-V613 HydrophobicContact CD1-CG2 3.44Å; I584-V613 VanDerWaalsContact CD1-CG2 3.44Å; I584-K618 HydrophobicContact CG2-CD 4.39Å; I584-K618 WeakPolarHBondContact O-CD 3.36Å; I584-K618 WeakPolarHBondContact O-CE 3.43Å; I584-K618 PolarHBondContact O-NZ 3.34Å
585T90.9Very high84.9Confident42 Ų4258 Ų5826%0.25829%0.294SS..PPolyproline II helixtrans-88.8159.4-17770.60000112.2I572 V583 E587 A588 L589I572-T585 HydrophobicContact CD1-CG2 4.32Å; V583-T585 PolarHBondContact O-N 2.96Å; T585-E587 VanDerWaalsContact C-N 3.27Å; T585-E587 VanDerWaalsContact CB-OE2 3.28Å; T585-E587 WeakPolarHBondContact CB-OE2 3.44Å; T585-E587 PolarHBondContact O-N 2.96Å; T585-E587 PolarHBondContact OG1-OE2 2.78Å; T585-A588 PolarHBondContact O-N 2.87Å; T585-A588 WeakPolarHBondContact OG1-CB 3.37Å; T585-A588 PolarHBondContact OG1-N 2.94Å; T585-L589 WeakPolarHBondContact O-CG 3.14Å; T585-L589 PolarHBondContact O-N 2.75Å
586D91.3Very high85.2Confident85 Ų8555.9 Ų55.946%0.45528%0.282SS..Hα-helixtrans-66.6-33-179.2-66.8-1.5000111.1L589 D590 K618D586-L589 PolarHBondContact O-N 2.71Å; D586-D590 PolarHBondContact O-N 2.91Å; D586-K618 WeakPolarHBondContact OD1-CE 3.21Å; D586-K618 IonicContact OD1-NZ 3.12Å; D586-K618 PolarHBondContact OD1-NZ 3.43Å
587E91.2Very high85.5Confident110 Ų11058.4 Ų58.451%0.51430%0.302SS..Hα-helixtrans-68.2-34.8176.3-56.478-170.500112.2T585 S591T585-E587 VanDerWaalsContact C-N 3.27Å; T585-E587 VanDerWaalsContact CB-OE2 3.28Å; T585-E587 WeakPolarHBondContact CB-OE2 3.44Å; T585-E587 PolarHBondContact O-N 2.96Å; T585-E587 PolarHBondContact OG1-OE2 2.78Å; E587-S591 WeakPolarHBondContact O-CB 3.41Å; E587-S591 PolarHBondContact O-N 2.71Å; E587-S591 PolarHBondContact O-OG 2.98Å
588A92.1Very high86Confident0 Ų058.7 Ų58.70%030%0.303CS..Hα-helixtrans-70.4-39.217400000111.1I572 L573 I584 T585 S591 L592I572-A588 HydrophobicContact CB-CB 4.1Å; I572-A588 HydrophobicContact CD1-CB 4.43Å; I572-A588 HydrophobicContact CG2-CB 3.64Å; L573-A588 HydrophobicContact CD2-CB 4.44Å; I584-A588 HydrophobicContact CG1-CB 4.27Å; T585-A588 PolarHBondContact O-N 2.87Å; T585-A588 WeakPolarHBondContact OG1-CB 3.37Å; T585-A588 PolarHBondContact OG1-N 2.94Å; A588-S591 PolarHBondContact O-N 3.21Å; A588-L592 WeakPolarHBondContact O-CB 3.35Å; A588-L592 PolarHBondContact O-N 3.28Å
589L93.2Very high86.4Confident0 Ų055.7 Ų55.70%030%0.298CS..Hα-helixtrans-64.2-43.9174.2-67172.3000111.9I584 T585 D586 S591 L592 R593 V613 K618 Y622 F623I584-L589 HydrophobicContact CD1-CD2 3.56Å; I584-L589 HydrophobicContact CD1-CG 4.22Å; I584-L589 HydrophobicContact CG1-CD2 3.96Å; I584-L589 HydrophobicContact CG1-CG 4.08Å; I584-L589 HydrophobicContact CG2-CD1 4.49Å; I584-L589 HydrophobicContact CG2-CD2 4.39Å; T585-L589 WeakPolarHBondContact O-CG 3.14Å; T585-L589 PolarHBondContact O-N 2.75Å; D586-L589 PolarHBondContact O-N 2.71Å; L589-S591 VanDerWaalsContact C-N 3.33Å; L589-S591 PolarHBondContact O-N 2.73Å; L589-L592 PolarHBondContact O-N 3.42Å; L589-R593 WeakPolarHBondContact O-CB 3.27Å; L589-R593 PolarHBondContact O-N 3.22Å; L589-V613 HydrophobicContact CD2-CG1 3.33Å; L589-K618 HydrophobicContact CD1-CG 4.37Å; L589-Y622 HydrophobicContact CB-CD1 3.78Å; L589-Y622 HydrophobicContact CB-CD2 4.06Å; L589-Y622 HydrophobicContact CB-CE1 3.78Å; L589-Y622 HydrophobicContact CB-CE2 4.06Å; L589-Y622 HydrophobicContact CB-CG 3.93Å; L589-Y622 HydrophobicContact CD1-CD1 4.36Å; L589-Y622 HydrophobicContact CD1-CD2 3.98Å; L589-Y622 HydrophobicContact CD1-CG 3.78Å; L589-Y622 HydrophobicContact CG-CD1 4.5Å; L589-Y622 HydrophobicContact CG-CG 4.37Å; L589-F623 HydrophobicContact CD2-CE2 4.1Å
590D92.4Very high87.1Confident65 Ų6552 Ų5235%0.34828%0.276SS..Hα-helixtrans-61-42.7174.2178.178.2000111.8D586 R593 R594 Y622D586-D590 PolarHBondContact O-N 2.91Å; D590-R593 PolarHBondContact O-N 2.83Å; D590-R594 PolarHBondContact O-N 3.09Å; D590-R594 IonicContact OD2-CZ 2.67Å; D590-R594 IonicContact OD2-NE 3.76Å; D590-R594 PolarHBondContact OD2-NE 2.93Å; D590-R594 IonicContact OD2-NH2 3.2Å; D590-R594 PolarHBondContact OD2-NH2 3.03Å; D590-Y622 WeakPolarHBondContact CA-OH 3.44Å; D590-Y622 WeakPolarHBondContact CB-OH 3.36Å; D590-Y622 PolarHBondContact N-OH 2.92Å
591S93.1Very high88.4Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-63.1-44.3176.1-61.20000112H569 E587 A588 L589 R593 R594 C595H569-S591 PolarHBondContact ND1-OG 3.21Å; E587-S591 WeakPolarHBondContact O-CB 3.41Å; E587-S591 PolarHBondContact O-N 2.71Å; E587-S591 PolarHBondContact O-OG 2.98Å; A588-S591 PolarHBondContact O-N 3.21Å; L589-S591 VanDerWaalsContact C-N 3.33Å; L589-S591 PolarHBondContact O-N 2.73Å; S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 3.18Å; S591-R594 PolarHBondContact O-N 3.47Å; S591-R594 PolarHBondContact OG-NH2 3.05Å; S591-C595 PolarHBondContact O-N 3.41Å; S591-C595 PolarHBondContact O-SG 2.74Å; S591-C595 VanDerWaalsContact O-SG 3.33Å
592L94Very high89.8Confident1 Ų147.8 Ų47.81%0.00525%0.246CC..Hα-helixtrans-62-39.7175.7-176.563000111.5L573 A588 L589 C595 L596 V606 C609 L610 V613 F623L573-L592 HydrophobicContact CD1-CB 4.37Å; L573-L592 HydrophobicContact CD1-CD1 4.3Å; L573-L592 HydrophobicContact CD2-CB 4.3Å; L573-L592 HydrophobicContact CD2-CD2 4.31Å; A588-L592 WeakPolarHBondContact O-CB 3.35Å; A588-L592 PolarHBondContact O-N 3.28Å; L589-L592 PolarHBondContact O-N 3.42Å; L592-C595 WeakPolarHBondContact O-CB 2.93Å; L592-C595 PolarHBondContact O-N 3.17Å; L592-L596 PolarHBondContact O-N 2.63Å; L592-V606 HydrophobicContact CD1-CG1 3.95Å; L592-C609 HydrophobicContact CD1-CB 4.22Å; L592-L610 HydrophobicContact CD2-CB 4.33Å; L592-L610 HydrophobicContact CD2-CD1 4.29Å; L592-V613 HydrophobicContact CD2-CB 4.32Å; L592-V613 HydrophobicContact CD2-CG2 3.74Å; L592-F623 HydrophobicContact CD2-CE2 4.49Å; L592-F623 HydrophobicContact CD2-CZ 4.35Å; L592-F623 HydrophobicContact CG-CZ 4.46Å
593R93.2Very high91.1Very high54 Ų5443.9 Ų43.920%0.20423%0.226CC..Hα-helixtrans-62.9-41174.8-171.2170.6-173.2-155.92.2112L589 D590 S591 C595 L596 Y622 F623 H627L589-R593 WeakPolarHBondContact O-CB 3.27Å; L589-R593 PolarHBondContact O-N 3.22Å; D590-R593 PolarHBondContact O-N 2.83Å; S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 3.18Å; R593-C595 VanDerWaalsContact C-N 3.32Å; R593-C595 PolarHBondContact O-N 3.14Å; R593-L596 WeakPolarHBondContact O-CB 3.32Å; R593-L596 PolarHBondContact O-N 3.22Å; R593-L596 VanDerWaalsContact O-N 3.16Å; R593-Y622 HydrophobicContact CB-CE1 4.48Å; R593-F623 HydrophobicContact CB-CE1 3.88Å; R593-F623 HydrophobicContact CB-CZ 4.25Å; R593-F623 HydrophobicContact CG-CE1 4.05Å; R593-H627 VanDerWaalsContact NH1-CB 3.32Å; R593-H627 PolarHBondContact NH1-CD2 3.47Å; R593-H627 PolarHBondContact NH1-CE1 3.43Å; R593-H627 VanDerWaalsContact NH1-CE1 3.27Å; R593-H627 PolarHBondContact NH1-ND1 3.39Å; R593-H627 PolarHBondContact NH1-NE2 3.15Å
594R92Very high91.8Very high96 Ų9639.8 Ų39.836%0.36220%0.2SC..Hα-helixtrans-63.5-35.7173.5-75.7-175.1-80.1119.3-2.2112.7D590 S591 L596 C597D590-R594 PolarHBondContact O-N 3.09Å; D590-R594 IonicContact OD2-CZ 2.67Å; D590-R594 IonicContact OD2-NE 3.76Å; D590-R594 PolarHBondContact OD2-NE 2.93Å; D590-R594 IonicContact OD2-NH2 3.2Å; D590-R594 PolarHBondContact OD2-NH2 3.03Å; S591-R594 PolarHBondContact O-N 3.47Å; S591-R594 PolarHBondContact OG-NH2 3.05Å; R594-L596 PolarHBondContact O-N 3.12Å; R594-C597 WeakPolarHBondContact O-CB 3.17Å; R594-C597 PolarHBondContact O-N 2.99Å
595C94.1Very high92.1Very high2 Ų239.6 Ų39.61%0.01420%0.199CC..Hα-helixtrans-62.4-21.9174.7-69.20000113.4I565 S591 L592 R593 C597 W598 V606I565-C595 VanDerWaalsContact CG2-SG 3.58Å; S591-C595 PolarHBondContact O-N 3.41Å; S591-C595 PolarHBondContact O-SG 2.74Å; S591-C595 VanDerWaalsContact O-SG 3.33Å; L592-C595 WeakPolarHBondContact O-CB 2.93Å; L592-C595 PolarHBondContact O-N 3.17Å; R593-C595 VanDerWaalsContact C-N 3.32Å; R593-C595 PolarHBondContact O-N 3.14Å; C595-C597 PolarHBondContact O-N 2.92Å; C595-W598 HydrophobicContact CB-CD2 4.28Å; C595-W598 HydrophobicContact CB-CZ2 4.38Å; C595-W598 VanDerWaalsContact O-CB 3.27Å; C595-W598 WeakPolarHBondContact O-CB 2.98Å; C595-W598 VanDerWaalsContact O-CG 3.27Å; C595-W598 PolarHBondContact O-N 3.21Å; C595-W598 VanDerWaalsContact O-N 3.08Å; C595-W598 WeakPolarHBondContact SG-CZ2 3.5Å; C595-V606 HydrophobicContact CB-CB 4.3Å; C595-V606 HydrophobicContact CB-CG1 3.49Å; C595-V606 VanDerWaalsContact CB-CG1 3.49Å; C595-V606 HydrophobicContact CB-CG2 3.79Å
596L93.6Very high92.3Very high3 Ų337.6 Ų37.62%0.01619%0.186CC..THydrogen-bonded Turntrans-68.7-10.4173.9-62169.8000113.1L592 R593 R594 V606 V607 L610 F623 F632 Q635 F639L592-L596 PolarHBondContact O-N 2.63Å; R593-L596 WeakPolarHBondContact O-CB 3.32Å; R593-L596 PolarHBondContact O-N 3.22Å; R593-L596 VanDerWaalsContact O-N 3.16Å; R594-L596 PolarHBondContact O-N 3.12Å; L596-V606 HydrophobicContact CD2-CG1 3.76Å; L596-V606 HydrophobicContact CG-CG1 4.23Å; L596-V607 HydrophobicContact CD2-CG2 4.2Å; L596-L610 HydrophobicContact CD1-CD2 4.25Å; L596-L610 HydrophobicContact CD2-CD2 3.99Å; L596-F623 HydrophobicContact CD1-CE1 4.21Å; L596-F632 HydrophobicContact CD1-CD2 4.2Å; L596-F632 HydrophobicContact CD1-CE2 3.85Å; L596-Q635 PolarHBondContact O-NE2 2.85Å; L596-Q635 VanDerWaalsContact O-NE2 3.1Å; L596-F639 HydrophobicContact CD2-CE2 4.39Å
597C92.7Very high92.4Very high79 Ų7933.5 Ų33.553%0.53417%0.165SC..THydrogen-bonded Turntrans-933.9172.6-59.60000113R594 C595R594-C597 WeakPolarHBondContact O-CB 3.17Å; R594-C597 PolarHBondContact O-N 2.99Å; C595-C597 PolarHBondContact O-N 2.92Å
598W94Very high92.5Very high9 Ų929.4 Ų29.43%0.03415%0.146CC..SBendtrans-66.8156.6173.9-71.86.5000111.4F555 N556 V559 L563 C595 F602 L603 V606F555-W598 HydrophobicContact CB-CE3 4.19Å; F555-W598 HydrophobicContact CB-CH2 4.41Å; F555-W598 HydrophobicContact CB-CZ3 3.61Å; N556-W598 HydrophobicContact CB-CH2 3.75Å; N556-W598 HydrophobicContact CB-CZ2 4.12Å; N556-W598 VanDerWaalsContact OD1-CZ2 3.3Å; N556-W598 WeakPolarHBondContact OD1-CZ2 3.32Å; V559-W598 HydrophobicContact CG1-CZ2 4.12Å; V559-W598 HydrophobicContact CG2-CB 4.5Å; V559-W598 HydrophobicContact CG2-CD2 4.36Å; V559-W598 HydrophobicContact CG2-CG 4.02Å; L563-W598 PolarHBondContact O-NE1 2.95Å; C595-W598 HydrophobicContact CB-CD2 4.28Å; C595-W598 HydrophobicContact CB-CZ2 4.38Å; C595-W598 VanDerWaalsContact O-CB 3.27Å; C595-W598 WeakPolarHBondContact O-CB 2.98Å; C595-W598 VanDerWaalsContact O-CG 3.27Å; C595-W598 PolarHBondContact O-N 3.21Å; C595-W598 VanDerWaalsContact O-N 3.08Å; C595-W598 WeakPolarHBondContact SG-CZ2 3.5Å; W598-F602 HydrophobicContact CB-CB 4.29Å; W598-F602 HydrophobicContact CE3-CB 3.85Å; W598-L603 HydrophobicContact CB-CD2 4.26Å; W598-V606 HydrophobicContact CD2-CG2 4.44Å; W598-V606 HydrophobicContact CE3-CG2 3.8Å; W598-V606 HydrophobicContact CZ3-CG2 4.06Å
599P90.9Very high92.5Very high48 Ų4829.4 Ų29.431%0.31215%0.146SC..  trans-50.2146.7170.1-2734.3000112.7E601 F602P599-E601 HydrophobicContact CB-CG 4.13Å; P599-E601 VanDerWaalsContact CB-OE2 3.31Å; P599-E601 WeakPolarHBondContact CB-OE2 3.22Å; P599-E601 PolarHBondContact O-N 3.39Å; P599-E601 VanDerWaalsContact O-N 3.11Å; P599-F602 HydrophobicContact CB-CD2 4.18Å; P599-F602 HydrophobicContact CB-CE2 4.43Å; P599-F602 HydrophobicContact CG-CD2 4.1Å; P599-F602 HydrophobicContact CG-CE2 4.2Å; P599-F602 PolarHBondContact O-N 3.33Å
600E87.8Confident92.6Very high65 Ų6529.4 Ų29.430%0.30415%0.146SC..G310 helixtrans-53.4-38.6-172.4-171.6-178.9153.200112.3F602 L603 Q641 L653E600-F602 PolarHBondContact O-N 2.97Å; E600-F602 VanDerWaalsContact O-N 3.08Å; E600-L603 PolarHBondContact O-N 3.48Å; E600-L603 VanDerWaalsContact O-N 3.13Å; E600-Q641 PolarHBondContact OE1-NE2 3Å; E600-Q641 PolarHBondContact OE2-NE2 3.31Å; E600-L653 HydrophobicContact CG-CD2 3.83Å
601E88.3Confident92.7Very high103 Ų10326.5 Ų26.548%0.48113%0.13SC..G310 helixtrans-59.5-19.5178.359.1-95.4-139.700114.7P599 H649P599-E601 HydrophobicContact CB-CG 4.13Å; P599-E601 VanDerWaalsContact CB-OE2 3.31Å; P599-E601 WeakPolarHBondContact CB-OE2 3.22Å; P599-E601 PolarHBondContact O-N 3.39Å; P599-E601 VanDerWaalsContact O-N 3.11Å; E601-H649 WeakPolarHBondContact CA-NE2 3.49Å; E601-H649 PolarHBondContact O-CE1 3.31Å; E601-H649 VanDerWaalsContact O-CE1 3.3Å; E601-H649 PolarHBondContact O-NE2 3.04Å
602F92.5Very high92.6Very high36 Ų3627 Ų2716%0.15813%0.133CC..G310 helixtrans-107.1-5.7-179-54.8-30.3000113.6F555 A558 V559 W598 P599 E600 L604 P605F555-F602 HydrophobicContact CB-CB 4.1Å; F555-F602 HydrophobicContact CB-CD1 4.26Å; F555-F602 HydrophobicContact CB-CG 4.11Å; F555-F602 AromaticContact CD1-CD1 3.71Å; F555-F602 HydrophobicContact CD1-CD1 3.71Å; F555-F602 HydrophobicContact CD1-CE1 4.08Å; F555-F602 HydrophobicContact CD1-CG 4.42Å; F555-F602 HydrophobicContact CD2-CB 3.77Å; F555-F602 AromaticContact CD2-CD1 3.93Å; F555-F602 HydrophobicContact CD2-CD1 3.93Å; F555-F602 HydrophobicContact CD2-CG 4.16Å; F555-F602 AromaticContact CE1-CD1 3.96Å; F555-F602 HydrophobicContact CE1-CD1 3.96Å; F555-F602 HydrophobicContact CE1-CE1 4.28Å; F555-F602 HydrophobicContact CE2-CB 4.4Å; F555-F602 HydrophobicContact CE2-CD1 4.16Å; F555-F602 HydrophobicContact CG-CB 4.04Å; F555-F602 AromaticContact CG-CD1 3.71Å; F555-F602 HydrophobicContact CG-CD1 3.71Å; F555-F602 HydrophobicContact CG-CE1 4.47Å; F555-F602 HydrophobicContact CG-CG 4Å; F555-F602 HydrophobicContact CZ-CD1 4.17Å; A558-F602 HydrophobicContact CB-CZ 4.18Å; V559-F602 HydrophobicContact CB-CD2 4.37Å; V559-F602 HydrophobicContact CB-CE2 4.47Å; V559-F602 HydrophobicContact CG2-CD2 4.44Å; W598-F602 HydrophobicContact CB-CB 4.29Å; W598-F602 HydrophobicContact CE3-CB 3.85Å; P599-F602 HydrophobicContact CB-CD2 4.18Å; P599-F602 HydrophobicContact CB-CE2 4.43Å; P599-F602 HydrophobicContact CG-CD2 4.1Å; P599-F602 HydrophobicContact CG-CE2 4.2Å; P599-F602 PolarHBondContact O-N 3.33Å; E600-F602 PolarHBondContact O-N 2.97Å; E600-F602 VanDerWaalsContact O-N 3.08Å; F602-L604 PolarHBondContact O-N 3.32Å; F602-P605 WeakPolarHBondContact O-CD 3.39Å; F602-P605 WeakPolarHBondContact O-CG 3.2Å
603L92.7Very high92.6Very high3 Ų327 Ų272%0.01613%0.133CC..Hα-helixtrans-73.6-26.3-172.7-72.7178.7000114.2W598 E600 V606 V607 F639 L653W598-L603 HydrophobicContact CB-CD2 4.26Å; E600-L603 PolarHBondContact O-N 3.48Å; E600-L603 VanDerWaalsContact O-N 3.13Å; L603-V606 WeakPolarHBondContact O-CA 3.49Å; L603-V606 WeakPolarHBondContact O-CB 3.4Å; L603-V606 PolarHBondContact O-N 3.13Å; L603-V607 PolarHBondContact O-N 2.73Å; L603-F639 HydrophobicContact CD1-CD1 3.64Å; L603-F639 HydrophobicContact CD1-CD2 4.26Å; L603-F639 HydrophobicContact CD1-CE1 3.35Å; L603-F639 HydrophobicContact CD1-CE2 3.99Å; L603-F639 HydrophobicContact CD1-CG 4.11Å; L603-F639 HydrophobicContact CD1-CZ 3.53Å; L603-F639 HydrophobicContact CD2-CZ 4.36Å; L603-L653 HydrophobicContact CB-CD1 3.96Å; L603-L653 HydrophobicContact CB-CD2 4.4Å
604L92.2Very high92.7Very high29 Ų2924.4 Ų24.415%0.15212%0.123CC..Hα-helixtrans-51-55-175.3-175160.9000113.5F602 V606 V607 D608 M652F602-L604 PolarHBondContact O-N 3.32Å; L604-V606 VanDerWaalsContact C-N 3.28Å; L604-V606 PolarHBondContact O-N 3.26Å; L604-V607 PolarHBondContact O-N 3.01Å; L604-D608 VanDerWaalsContact O-CB 3.32Å; L604-D608 WeakPolarHBondContact O-CB 3.48Å; L604-D608 PolarHBondContact O-N 2.89Å; L604-M652 HydrophobicContact CD1-CB 3.46Å; L604-M652 VanDerWaalsContact CD1-CB 3.46Å; L604-M652 HydrophobicContact CD1-CG 4.43Å
605P92.5Very high92.7Very high1 Ų121.9 Ų21.91%0.00612%0.117CC..Hα-helixtrans-67.7-26.4177.128.5-37.5000113.2L548 K551 L552 F555 F602 C609L548-P605 HydrophobicContact CD1-CB 3.73Å; L548-P605 WeakPolarHBondContact CD1-O 3.5Å; K551-P605 HydrophobicContact CB-CB 4.05Å; K551-P605 HydrophobicContact CB-CG 4.12Å; L552-P605 HydrophobicContact CD2-CB 3.84Å; L552-P605 HydrophobicContact CD2-CG 4.12Å; L552-P605 HydrophobicContact CG-CB 4Å; F555-P605 HydrophobicContact CD2-CG 3.57Å; F555-P605 HydrophobicContact CE2-CG 3.71Å; F602-P605 WeakPolarHBondContact O-CD 3.39Å; F602-P605 WeakPolarHBondContact O-CG 3.2Å; P605-C609 WeakPolarHBondContact O-CB 3.38Å; P605-C609 PolarHBondContact O-N 2.88Å
606V94.2Very high92.7Very high0 Ų023.7 Ų23.70%013%0.128CC..Hα-helixtrans-65.9-50.3176.5-178.50000110.1L552 L592 C595 L596 W598 L603 L604 D608 C609 L610L552-V606 HydrophobicContact CD2-CG2 4.01Å; L592-V606 HydrophobicContact CD1-CG1 3.95Å; C595-V606 HydrophobicContact CB-CB 4.3Å; C595-V606 HydrophobicContact CB-CG1 3.49Å; C595-V606 VanDerWaalsContact CB-CG1 3.49Å; C595-V606 HydrophobicContact CB-CG2 3.79Å; L596-V606 HydrophobicContact CD2-CG1 3.76Å; L596-V606 HydrophobicContact CG-CG1 4.23Å; W598-V606 HydrophobicContact CD2-CG2 4.44Å; W598-V606 HydrophobicContact CE3-CG2 3.8Å; W598-V606 HydrophobicContact CZ3-CG2 4.06Å; L603-V606 WeakPolarHBondContact O-CA 3.49Å; L603-V606 WeakPolarHBondContact O-CB 3.4Å; L603-V606 PolarHBondContact O-N 3.13Å; L604-V606 VanDerWaalsContact C-N 3.28Å; L604-V606 PolarHBondContact O-N 3.26Å; V606-D608 VanDerWaalsContact C-N 3.34Å; V606-D608 PolarHBondContact O-N 3.31Å; V606-C609 PolarHBondContact O-N 3.11Å; V606-L610 WeakPolarHBondContact O-CB 3.29Å; V606-L610 PolarHBondContact O-N 3.47Å
607V94.1Very high92.6Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-69.4-33.7179.8-178.40000111.4L596 L603 L604 C609 L610 R611 F639 L653 V656 V657 A660L596-V607 HydrophobicContact CD2-CG2 4.2Å; L603-V607 PolarHBondContact O-N 2.73Å; L604-V607 PolarHBondContact O-N 3.01Å; V607-C609 VanDerWaalsContact C-N 3.31Å; V607-C609 PolarHBondContact O-N 3.42Å; V607-L610 PolarHBondContact O-N 3.38Å; V607-R611 PolarHBondContact O-N 2.79Å; V607-F639 HydrophobicContact CG2-CD2 4.38Å; V607-L653 HydrophobicContact CB-CD1 4.48Å; V607-L653 HydrophobicContact CG2-CD1 4.11Å; V607-V656 HydrophobicContact CB-CB 4.48Å; V607-V656 HydrophobicContact CB-CG2 3.85Å; V607-V656 HydrophobicContact CG1-CB 4.1Å; V607-V656 HydrophobicContact CG1-CG2 3.78Å; V607-V657 HydrophobicContact CG1-CB 4.49Å; V607-V657 HydrophobicContact CG1-CG2 3.89Å; V607-V657 HydrophobicContact CG2-CG2 4.49Å; V607-A660 HydrophobicContact CG1-CB 4.35Å
608D92.6Very high92.6Very high24 Ų2429.6 Ų29.613%0.12815%0.146CC..Hα-helixtrans-66.8-32.1175.6-161.127.2000112.2L548 L604 V606 R611 V656L548-D608 HydrophobicContact CD1-CB 3.83Å; L604-D608 VanDerWaalsContact O-CB 3.32Å; L604-D608 WeakPolarHBondContact O-CB 3.48Å; L604-D608 PolarHBondContact O-N 2.89Å; V606-D608 VanDerWaalsContact C-N 3.34Å; V606-D608 PolarHBondContact O-N 3.31Å; D608-R611 WeakPolarHBondContact O-CG 3.43Å; D608-R611 IonicContact OD1-CZ 3.35Å; D608-R611 IonicContact OD1-NE 2.81Å; D608-R611 PolarHBondContact OD1-NE 2.98Å; D608-R611 IonicContact OD1-NH2 3.41Å; D608-R611 PolarHBondContact OD1-NH2 3.34Å; D608-V656 HydrophobicContact CB-CB 4.46Å; D608-V656 HydrophobicContact CB-CG1 4Å
609C93.2Very high92.5Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-72.7-46.5169.5-173.40000111.5L548 L552 L592 P605 V606 V607 R611 L612 V613L548-C609 HydrophobicContact CD2-CB 4.14Å; L552-C609 HydrophobicContact CD1-CB 4.37Å; L592-C609 HydrophobicContact CD1-CB 4.22Å; P605-C609 WeakPolarHBondContact O-CB 3.38Å; P605-C609 PolarHBondContact O-N 2.88Å; V606-C609 PolarHBondContact O-N 3.11Å; V607-C609 VanDerWaalsContact C-N 3.31Å; V607-C609 PolarHBondContact O-N 3.42Å; C609-R611 VanDerWaalsContact C-N 3.31Å; C609-R611 PolarHBondContact O-N 2.92Å; C609-L612 WeakPolarHBondContact O-CB 3.29Å; C609-L612 PolarHBondContact O-N 3.29Å; C609-V613 PolarHBondContact O-N 2.89Å
610L94.6Very high92.7Very high0 Ų026.9 Ų26.90%013%0.13CC..Hα-helixtrans-53.3-44.3178.2175.166.1000112.7L592 L596 V606 V607 L612 V613 L614 F623 F632 L636L592-L610 HydrophobicContact CD2-CB 4.33Å; L592-L610 HydrophobicContact CD2-CD1 4.29Å; L596-L610 HydrophobicContact CD1-CD2 4.25Å; L596-L610 HydrophobicContact CD2-CD2 3.99Å; V606-L610 WeakPolarHBondContact O-CB 3.29Å; V606-L610 PolarHBondContact O-N 3.47Å; V607-L610 PolarHBondContact O-N 3.38Å; L610-L612 PolarHBondContact O-N 3.38Å; L610-L612 VanDerWaalsContact O-N 3.17Å; L610-V613 WeakPolarHBondContact O-CB 3.46Å; L610-V613 PolarHBondContact O-N 2.86Å; L610-V613 VanDerWaalsContact O-N 3.08Å; L610-L614 HydrophobicContact CD1-CD2 4.4Å; L610-L614 HydrophobicContact CD1-CG 4.25Å; L610-L614 HydrophobicContact CG-CD1 4.28Å; L610-L614 HydrophobicContact CG-CG 4.39Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 3.39Å; L610-F623 HydrophobicContact CD1-CD1 4.21Å; L610-F623 HydrophobicContact CD1-CD2 3.84Å; L610-F623 HydrophobicContact CD1-CE1 3.86Å; L610-F623 HydrophobicContact CD1-CE2 3.48Å; L610-F623 VanDerWaalsContact CD1-CE2 3.48Å; L610-F623 HydrophobicContact CD1-CG 4.22Å; L610-F623 HydrophobicContact CD1-CZ 3.5Å; L610-F632 HydrophobicContact CD1-CE2 4.28Å; L610-F632 HydrophobicContact CD1-CZ 4.02Å; L610-F632 HydrophobicContact CD2-CE2 3.74Å; L610-F632 HydrophobicContact CD2-CZ 3.74Å; L610-F632 HydrophobicContact CG-CZ 4.29Å; L610-L636 HydrophobicContact CD2-CD2 3.85Å
611R93.8Very high92.9Very high3 Ų326.2 Ų26.21%0.01113%0.128CC..Hα-helixtrans-60-29.4179.365.8158178.4124.90.9113.2F540 S542 V607 D608 C609 A660 N663F540-R611 PolarHBondContact O-NH1 3.5Å; S542-R611 VanDerWaalsContact O-CZ 3.27Å; S542-R611 PolarHBondContact O-NH1 3.28Å; S542-R611 PolarHBondContact O-NH2 3.21Å; V607-R611 PolarHBondContact O-N 2.79Å; D608-R611 WeakPolarHBondContact O-CG 3.43Å; D608-R611 IonicContact OD1-CZ 3.35Å; D608-R611 IonicContact OD1-NE 2.81Å; D608-R611 PolarHBondContact OD1-NE 2.98Å; D608-R611 IonicContact OD1-NH2 3.41Å; D608-R611 PolarHBondContact OD1-NH2 3.34Å; C609-R611 VanDerWaalsContact C-N 3.31Å; C609-R611 PolarHBondContact O-N 2.92Å; R611-A660 HydrophobicContact CB-CB 3.83Å; R611-N663 PolarHBondContact O-ND2 2.89Å
612L92.4Very high93.2Very high12 Ų1222.2 Ų22.26%0.06311%0.109CC..Hα-helixtrans-75-40.7176.7-59.1174.5000110.5V543 L548 F576 A577 C609 L610 L614 L615V543-L612 HydrophobicContact CB-CD1 4.02Å; V543-L612 HydrophobicContact CB-CD2 4.33Å; V543-L612 HydrophobicContact CG1-CD1 3.75Å; V543-L612 HydrophobicContact CG1-CD2 4.37Å; V543-L612 HydrophobicContact CG2-CD1 4.07Å; L548-L612 HydrophobicContact CD2-CD1 4.46Å; F576-L612 HydrophobicContact CE1-CB 3.88Å; A577-L612 HydrophobicContact CB-CD1 4.46Å; C609-L612 WeakPolarHBondContact O-CB 3.29Å; C609-L612 PolarHBondContact O-N 3.29Å; L610-L612 PolarHBondContact O-N 3.38Å; L610-L612 VanDerWaalsContact O-N 3.17Å; L612-L614 VanDerWaalsContact C-N 3.27Å; L612-L614 PolarHBondContact O-N 3.12Å; L612-L615 VanDerWaalsContact O-CB 3.32Å; L612-L615 WeakPolarHBondContact O-CB 3.44Å; L612-L615 PolarHBondContact O-N 2.94Å; L612-L615 VanDerWaalsContact O-N 3.11Å
613V93.5Very high93.3Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-59.4-40.2176.5172.20000111.2F576 I584 L589 L592 C609 L610 L615 T616 F623F576-V613 HydrophobicContact CD1-CG2 3.98Å; F576-V613 HydrophobicContact CE1-CB 4.28Å; F576-V613 HydrophobicContact CE1-CG2 3.53Å; F576-V613 HydrophobicContact CZ-CG2 4.21Å; I584-V613 HydrophobicContact CD1-CB 4.35Å; I584-V613 HydrophobicContact CD1-CG1 4.03Å; I584-V613 HydrophobicContact CD1-CG2 3.44Å; I584-V613 VanDerWaalsContact CD1-CG2 3.44Å; L589-V613 HydrophobicContact CD2-CG1 3.33Å; L592-V613 HydrophobicContact CD2-CB 4.32Å; L592-V613 HydrophobicContact CD2-CG2 3.74Å; C609-V613 PolarHBondContact O-N 2.89Å; L610-V613 WeakPolarHBondContact O-CB 3.46Å; L610-V613 PolarHBondContact O-N 2.86Å; L610-V613 VanDerWaalsContact O-N 3.08Å; V613-L615 PolarHBondContact O-N 3.32Å; V613-L615 VanDerWaalsContact O-N 3.17Å; V613-T616 PolarHBondContact O-N 3.44Å; V613-T616 PolarHBondContact O-OG1 3.49Å; V613-F623 HydrophobicContact CG1-CD2 4.5Å; V613-F623 HydrophobicContact CG1-CE2 4.09Å
614L94.5Very high93.3Very high0 Ų020.7 Ų20.70%010%0.102CC..THydrogen-bonded Turntrans-65.3-14.9178.5-65.8179.6000114.4L610 L612 T616 N620 F623 F624 F632 A660 N663L610-L614 HydrophobicContact CD1-CD2 4.4Å; L610-L614 HydrophobicContact CD1-CG 4.25Å; L610-L614 HydrophobicContact CG-CD1 4.28Å; L610-L614 HydrophobicContact CG-CG 4.39Å; L610-L614 WeakPolarHBondContact O-CG 3.36Å; L610-L614 PolarHBondContact O-N 3.39Å; L612-L614 VanDerWaalsContact C-N 3.27Å; L612-L614 PolarHBondContact O-N 3.12Å; L614-T616 VanDerWaalsContact C-N 3.28Å; L614-N620 PolarHBondContact O-ND2 3.26Å; L614-F623 HydrophobicContact CD2-CB 4.12Å; L614-F623 HydrophobicContact CD2-CD2 4.1Å; L614-F623 HydrophobicContact CD2-CG 4.36Å; L614-F624 HydrophobicContact CD2-CD2 4.38Å; L614-F624 HydrophobicContact CD2-CE2 3.82Å; L614-F632 HydrophobicContact CD1-CZ 4.44Å; L614-A660 HydrophobicContact CD1-CB 4.15Å; L614-N663 HydrophobicContact CB-CB 4.26Å
615L93.1Very high93Very high43 Ų4327.9 Ų27.923%0.22513%0.129CC..THydrogen-bonded Turntrans-75.6-17.3171.7-65.2171.5000112.6T539 N541 L612 V613 N663 V666 H667T539-L615 HydrophobicContact CG2-CD2 4.16Å; N541-L615 HydrophobicContact CB-CD1 3.87Å; L612-L615 VanDerWaalsContact O-CB 3.32Å; L612-L615 WeakPolarHBondContact O-CB 3.44Å; L612-L615 PolarHBondContact O-N 2.94Å; L612-L615 VanDerWaalsContact O-N 3.11Å; V613-L615 PolarHBondContact O-N 3.32Å; V613-L615 VanDerWaalsContact O-N 3.17Å; L615-N663 HydrophobicContact CD2-CB 3.8Å; L615-N663 VanDerWaalsContact CD2-CG 3.46Å; L615-N663 HydrophobicContact CG-CB 4.22Å; L615-V666 HydrophobicContact CD2-CG2 3.76Å; L615-H667 PolarHBondContact O-NE2 2.9Å
616T92.9Very high92.2Very high40 Ų4032.5 Ų32.525%0.24515%0.153CC..SBendtrans-92.9144.617768.90000110.7F576 V613 L614 K618 G619 N620 H667F576-T616 HydrophobicContact CE2-CG2 3.74Å; F576-T616 HydrophobicContact CZ-CG2 3.69Å; V613-T616 PolarHBondContact O-N 3.44Å; V613-T616 PolarHBondContact O-OG1 3.49Å; L614-T616 VanDerWaalsContact C-N 3.28Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.36Å; T616-G619 PolarHBondContact O-N 2.89Å; T616-G619 PolarHBondContact OG1-N 3.06Å; T616-G619 VanDerWaalsContact OG1-N 3.09Å; T616-N620 VanDerWaalsContact O-CB 3.32Å; T616-N620 WeakPolarHBondContact O-CB 3.37Å; T616-N620 PolarHBondContact O-N 3.09Å; T616-H667 VanDerWaalsContact C-CD2 3.42Å; T616-H667 VanDerWaalsContact C-NE2 3.28Å; T616-H667 PolarHBondContact O-CD2 3.46Å
617E92.6Very high91.2Very high128 Ų12835.1 Ų35.160%0.59817%0.165SC*.Hα-helixtrans-58.5-49.6179.2-175.6175.6-164.100110.3G619 N620 D621 H667E617-G619 PolarHBondContact O-N 2.75Å; E617-N620 PolarHBondContact O-N 2.79Å; E617-D621 WeakPolarHBondContact O-CB 3.27Å; E617-D621 PolarHBondContact O-N 2.89Å; E617-H667 PolarHBondContact N-CD2 2.88Å; E617-H667 PolarHBondContact N-NE2 3.46Å; E617-H667 VanDerWaalsContact N-NE2 3.13Å
618K92.4Very high90.7Very high77 Ų7738.1 Ų38.134%0.33519%0.185SC..Hα-helixtrans-57-45.8178-172.7177.2-178.1-170.40113.5I584 D586 L589 T616 Y622I584-K618 HydrophobicContact CG2-CD 4.39Å; I584-K618 WeakPolarHBondContact O-CD 3.36Å; I584-K618 WeakPolarHBondContact O-CE 3.43Å; I584-K618 PolarHBondContact O-NZ 3.34Å; D586-K618 WeakPolarHBondContact OD1-CE 3.21Å; D586-K618 IonicContact OD1-NZ 3.12Å; D586-K618 PolarHBondContact OD1-NZ 3.43Å; L589-K618 HydrophobicContact CD1-CG 4.37Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.36Å; K618-Y622 WeakPolarHBondContact O-CB 3.3Å; K618-Y622 PolarHBondContact O-N 2.94Å
619G92.6Very high90.4Very high0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-66.1-43.5178.500000112.1T616 E617 Y622 F623T616-G619 PolarHBondContact O-N 2.89Å; T616-G619 PolarHBondContact OG1-N 3.06Å; T616-G619 VanDerWaalsContact OG1-N 3.09Å; E617-G619 PolarHBondContact O-N 2.75Å; G619-Y622 PolarHBondContact O-N 3.06Å; G619-F623 VanDerWaalsContact O-CD2 3.3Å; G619-F623 WeakPolarHBondContact O-CD2 3.45Å; G619-F623 PolarHBondContact O-N 3.28Å
620N94Very high90.2Very high0 Ų040.7 Ų40.70%020%0.199CC..Hα-helixtrans-62.6-49.2178.3-157.3-68.2000111.2L614 T616 E617 Y622 F623 F624 S664 H667 S669 G670L614-N620 PolarHBondContact O-ND2 3.26Å; T616-N620 VanDerWaalsContact O-CB 3.32Å; T616-N620 WeakPolarHBondContact O-CB 3.37Å; T616-N620 PolarHBondContact O-N 3.09Å; E617-N620 PolarHBondContact O-N 2.79Å; N620-Y622 VanDerWaalsContact C-N 3.31Å; N620-Y622 PolarHBondContact O-N 3.31Å; N620-F623 PolarHBondContact O-N 3.49Å; N620-F624 WeakPolarHBondContact O-CB 3.34Å; N620-F624 WeakPolarHBondContact O-CD2 3.4Å; N620-F624 PolarHBondContact O-N 2.97Å; N620-F624 WeakPolarHBondContact OD1-CD2 3.45Å; N620-S664 PolarHBondContact ND2-O 3.01Å; N620-H667 HydrophobicContact CB-CB 3.88Å; N620-S669 PolarHBondContact OD1-OG 2.77Å; N620-G670 WeakPolarHBondContact OD1-CA 3.33Å; N620-G670 PolarHBondContact OD1-N 3.18Å
621D93.1Very high90Very high52 Ų5246.5 Ų46.528%0.27823%0.226SC..Hα-helixtrans-59.4-40.2176.5-72.6-7.9000112.3E617 F623 Y625 N626 S669E617-D621 WeakPolarHBondContact O-CB 3.27Å; E617-D621 PolarHBondContact O-N 2.89Å; D621-F623 PolarHBondContact O-N 2.99Å; D621-Y625 WeakPolarHBondContact O-CA 3.35Å; D621-Y625 VanDerWaalsContact O-CB 3.29Å; D621-Y625 WeakPolarHBondContact O-CB 3.44Å; D621-Y625 PolarHBondContact O-N 3.28Å; D621-N626 PolarHBondContact O-N 2.97Å; D621-S669 WeakPolarHBondContact CA-OG 3.32Å; D621-S669 PolarHBondContact N-OG 3.24Å; D621-S669 WeakPolarHBondContact OD1-CB 3.49Å; D621-S669 PolarHBondContact OD1-OG 3.41Å
622Y94.1Very high89.9Confident18 Ų1846.5 Ų46.57%0.07123%0.226CC..Hα-helixtrans-61-48178.3-179.7-88.7000112.5L589 D590 R593 K618 G619 N620 H627L589-Y622 HydrophobicContact CB-CD1 3.78Å; L589-Y622 HydrophobicContact CB-CD2 4.06Å; L589-Y622 HydrophobicContact CB-CE1 3.78Å; L589-Y622 HydrophobicContact CB-CE2 4.06Å; L589-Y622 HydrophobicContact CB-CG 3.93Å; L589-Y622 HydrophobicContact CD1-CD1 4.36Å; L589-Y622 HydrophobicContact CD1-CD2 3.98Å; L589-Y622 HydrophobicContact CD1-CG 3.78Å; L589-Y622 HydrophobicContact CG-CD1 4.5Å; L589-Y622 HydrophobicContact CG-CG 4.37Å; D590-Y622 WeakPolarHBondContact CA-OH 3.44Å; D590-Y622 WeakPolarHBondContact CB-OH 3.36Å; D590-Y622 PolarHBondContact N-OH 2.92Å; R593-Y622 HydrophobicContact CB-CE1 4.48Å; K618-Y622 WeakPolarHBondContact O-CB 3.3Å; K618-Y622 PolarHBondContact O-N 2.94Å; G619-Y622 PolarHBondContact O-N 3.06Å; N620-Y622 VanDerWaalsContact C-N 3.31Å; N620-Y622 PolarHBondContact O-N 3.31Å; Y622-H627 AromaticContact CD1-CD2 4Å; Y622-H627 AromaticContact CE1-CD2 3.57Å; Y622-H627 AromaticContact CE1-NE2 3.79Å; Y622-H627 AromaticContact CE2-CD2 3.86Å; Y622-H627 AromaticContact CE2-NE2 3.49Å; Y622-H627 WeakPolarHBondContact CE2-NE2 3.16Å; Y622-H627 AromaticContact CZ-CD2 3.48Å; Y622-H627 VanDerWaalsContact CZ-CD2 3.48Å; Y622-H627 AromaticContact CZ-NE2 3.19Å; Y622-H627 PolarHBondContact O-CD2 3.02Å; Y622-H627 VanDerWaalsContact O-CD2 3.3Å; Y622-H627 PolarHBondContact OH-NE2 3.47Å; Y622-H627 VanDerWaalsContact OH-NE2 3.11Å
623F94.2Very high89.8Confident0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-78.9-28.7-175.9-78.6-79.1000113.6L589 L592 R593 L596 L610 V613 L614 G619 N620 D621 F632L589-F623 HydrophobicContact CD2-CE2 4.1Å; L592-F623 HydrophobicContact CD2-CE2 4.49Å; L592-F623 HydrophobicContact CD2-CZ 4.35Å; L592-F623 HydrophobicContact CG-CZ 4.46Å; R593-F623 HydrophobicContact CB-CE1 3.88Å; R593-F623 HydrophobicContact CB-CZ 4.25Å; R593-F623 HydrophobicContact CG-CE1 4.05Å; L596-F623 HydrophobicContact CD1-CE1 4.21Å; L610-F623 HydrophobicContact CD1-CD1 4.21Å; L610-F623 HydrophobicContact CD1-CD2 3.84Å; L610-F623 HydrophobicContact CD1-CE1 3.86Å; L610-F623 HydrophobicContact CD1-CE2 3.48Å; L610-F623 VanDerWaalsContact CD1-CE2 3.48Å; L610-F623 HydrophobicContact CD1-CG 4.22Å; L610-F623 HydrophobicContact CD1-CZ 3.5Å; V613-F623 HydrophobicContact CG1-CD2 4.5Å; V613-F623 HydrophobicContact CG1-CE2 4.09Å; L614-F623 HydrophobicContact CD2-CB 4.12Å; L614-F623 HydrophobicContact CD2-CD2 4.1Å; L614-F623 HydrophobicContact CD2-CG 4.36Å; G619-F623 VanDerWaalsContact O-CD2 3.3Å; G619-F623 WeakPolarHBondContact O-CD2 3.45Å; G619-F623 PolarHBondContact O-N 3.28Å; N620-F623 PolarHBondContact O-N 3.49Å; D621-F623 PolarHBondContact O-N 2.99Å; F623-F632 HydrophobicContact CB-CD1 3.99Å; F623-F632 HydrophobicContact CB-CE1 3.77Å; F623-F632 HydrophobicContact CB-CG 4.44Å; F623-F632 HydrophobicContact CB-CZ 4.04Å; F623-F632 HydrophobicContact CD1-CD1 4.48Å; F623-F632 AromaticContact CD1-CD2 3.75Å; F623-F632 HydrophobicContact CD1-CD2 3.75Å; F623-F632 HydrophobicContact CD1-CE1 4.28Å; F623-F632 AromaticContact CD1-CE2 3.51Å; F623-F632 HydrophobicContact CD1-CE2 3.51Å; F623-F632 HydrophobicContact CD1-CG 4.22Å; F623-F632 AromaticContact CD1-CZ 3.78Å; F623-F632 HydrophobicContact CD1-CZ 3.78Å; F623-F632 HydrophobicContact CE1-CD2 4.4Å; F623-F632 HydrophobicContact CE1-CE2 4.01Å; F623-F632 HydrophobicContact CG-CE1 4.25Å; F623-F632 HydrophobicContact CG-CE2 4.21Å; F623-F632 AromaticContact CG-CZ 4Å; F623-F632 HydrophobicContact CG-CZ 4Å
624F92.6Very high89.6Confident8 Ų850.6 Ų50.64%0.03525%0.248CC..Hα-helixtrans-105.7-34-174.1-71.1-69.5000115.2L614 N620 F632 L633 S664 G670 V673 M674L614-F624 HydrophobicContact CD2-CD2 4.38Å; L614-F624 HydrophobicContact CD2-CE2 3.82Å; N620-F624 WeakPolarHBondContact O-CB 3.34Å; N620-F624 WeakPolarHBondContact O-CD2 3.4Å; N620-F624 PolarHBondContact O-N 2.97Å; N620-F624 WeakPolarHBondContact OD1-CD2 3.45Å; F624-F632 HydrophobicContact CD1-CD1 4.3Å; F624-F632 AromaticContact CE1-CD1 3.84Å; F624-F632 HydrophobicContact CE1-CD1 3.84Å; F624-F632 AromaticContact CE1-CE1 3.98Å; F624-F632 HydrophobicContact CE1-CE1 3.98Å; F624-F632 HydrophobicContact CE2-CE1 4.08Å; F624-F632 HydrophobicContact CZ-CD1 4Å; F624-F632 AromaticContact CZ-CE1 3.64Å; F624-F632 HydrophobicContact CZ-CE1 3.64Å; F624-L633 HydrophobicContact CE1-CD1 4.25Å; F624-L633 HydrophobicContact CE1-CD2 3.69Å; F624-L633 HydrophobicContact CE1-CG 3.84Å; F624-L633 HydrophobicContact CZ-CD2 4.07Å; F624-S664 VanDerWaalsContact CZ-OG 3.28Å; F624-S664 WeakPolarHBondContact CZ-OG 3.36Å; F624-G670 VanDerWaalsContact CD2-CA 3.48Å; F624-V673 HydrophobicContact CB-CG2 3.95Å; F624-V673 HydrophobicContact CD1-CB 3.73Å; F624-V673 HydrophobicContact CD1-CG1 3.98Å; F624-V673 HydrophobicContact CD1-CG2 3.86Å; F624-V673 HydrophobicContact CE1-CB 4.35Å; F624-V673 HydrophobicContact CE1-CG1 4.37Å; F624-V673 HydrophobicContact CG-CG2 4.36Å; F624-M674 HydrophobicContact CZ-CE 4.35Å
625Y86.2Confident89.4Confident180 Ų18052.8 Ų52.871%0.70626%0.258SS*.THydrogen-bonded Turntrans-103.1-52-175.6-178.3-99.4000112.7D621 H627D621-Y625 WeakPolarHBondContact O-CA 3.35Å; D621-Y625 VanDerWaalsContact O-CB 3.29Å; D621-Y625 WeakPolarHBondContact O-CB 3.44Å; D621-Y625 PolarHBondContact O-N 3.28Å; Y625-H627 PolarHBondContact O-N 2.96Å
626N74.7Confident89.3Confident98 Ų9850.8 Ų50.852%0.52425%0.248SC..THydrogen-bonded Turntrans-71.1-20.1-176.3-67.9-17.4000113.3D621D621-N626 PolarHBondContact O-N 2.97Å
627H74.4Confident89Confident55 Ų5549.9 Ų49.926%0.25524%0.243SC..THydrogen-bonded Turntrans-129.7159.3-179.9-69.9-54.2000110.4R593 Y622 Y625 G629R593-H627 VanDerWaalsContact NH1-CB 3.32Å; R593-H627 PolarHBondContact NH1-CD2 3.47Å; R593-H627 PolarHBondContact NH1-CE1 3.43Å; R593-H627 VanDerWaalsContact NH1-CE1 3.27Å; R593-H627 PolarHBondContact NH1-ND1 3.39Å; R593-H627 PolarHBondContact NH1-NE2 3.15Å; Y622-H627 AromaticContact CD1-CD2 4Å; Y622-H627 AromaticContact CE1-CD2 3.57Å; Y622-H627 AromaticContact CE1-NE2 3.79Å; Y622-H627 AromaticContact CE2-CD2 3.86Å; Y622-H627 AromaticContact CE2-NE2 3.49Å; Y622-H627 WeakPolarHBondContact CE2-NE2 3.16Å; Y622-H627 AromaticContact CZ-CD2 3.48Å; Y622-H627 VanDerWaalsContact CZ-CD2 3.48Å; Y622-H627 AromaticContact CZ-NE2 3.19Å; Y622-H627 PolarHBondContact O-CD2 3.02Å; Y622-H627 VanDerWaalsContact O-CD2 3.3Å; Y622-H627 PolarHBondContact OH-NE2 3.47Å; Y622-H627 VanDerWaalsContact OH-NE2 3.11Å; Y625-H627 PolarHBondContact O-N 2.96Å; H627-G629 VanDerWaalsContact C-N 3.35Å; H627-G629 PolarHBondContact O-N 2.84Å
628P84.4Confident88.8Confident63 Ų6347.1 Ų47.141%0.40924%0.238SC..THydrogen-bonded Turntrans-6094.1-178.2-22.833.7000111.4M630 E631 F632P628-M630 PolarHBondContact O-N 3.33Å; P628-E631 HydrophobicContact CB-CB 4.03Å; P628-E631 VanDerWaalsContact CB-CD 3.45Å; P628-E631 HydrophobicContact CB-CG 3.71Å; P628-E631 WeakPolarHBondContact O-CB 3.44Å; P628-E631 PolarHBondContact O-N 2.91Å; P628-F632 PolarHBondContact O-N 3.4Å; P628-F632 VanDerWaalsContact O-N 3.17Å
629G85.7Confident88.6Confident6 Ų644.5 Ų44.56%0.06223%0.226CC..Hα-helixtrans-59.2-34.2-172.500000112.9H627 F632 L633H627-G629 VanDerWaalsContact C-N 3.35Å; H627-G629 PolarHBondContact O-N 2.84Å; G629-F632 WeakPolarHBondContact O-CB 3.19Å; G629-F632 PolarHBondContact O-N 3.19Å; G629-L633 WeakPolarHBondContact O-CG 3.47Å; G629-L633 PolarHBondContact O-N 3.12Å
630M88.2Confident88.1Confident72 Ų7244.6 Ų44.636%0.35523%0.227SC..Hα-helixtrans-66.8-34.8174.8-72.1-57.7-62.100113.2P628 L633 N634 V673P628-M630 PolarHBondContact O-N 3.33Å; M630-L633 PolarHBondContact O-N 3.39Å; M630-L633 HydrophobicContact SD-CD1 4.37Å; M630-N634 WeakPolarHBondContact O-CB 3.38Å; M630-N634 PolarHBondContact O-N 3.34Å; M630-N634 PolarHBondContact O-ND2 2.88Å; M630-N634 VanDerWaalsContact O-ND2 3.11Å; M630-V673 HydrophobicContact CG-CG1 4.14Å; M630-V673 HydrophobicContact SD-CG1 3.69Å
631E90.4Very high87Confident122 Ų12249.1 Ų49.157%0.5725%0.248SC*.Hα-helixtrans-67.4-41.7174.8-64.8177-175.600110.6P628 N634 Q635P628-E631 HydrophobicContact CB-CB 4.03Å; P628-E631 VanDerWaalsContact CB-CD 3.45Å; P628-E631 HydrophobicContact CB-CG 3.71Å; P628-E631 WeakPolarHBondContact O-CB 3.44Å; P628-E631 PolarHBondContact O-N 2.91Å; E631-N634 PolarHBondContact O-N 3.11Å; E631-Q635 PolarHBondContact O-N 3.36Å
632F92.2Very high85.4Confident2 Ų248 Ų481%0.00924%0.242CC..Hα-helixtrans-61.2-44.7174.5168-115.2000112L596 L610 L614 F623 F624 P628 G629 Q635 L636L596-F632 HydrophobicContact CD1-CD2 4.2Å; L596-F632 HydrophobicContact CD1-CE2 3.85Å; L610-F632 HydrophobicContact CD1-CE2 4.28Å; L610-F632 HydrophobicContact CD1-CZ 4.02Å; L610-F632 HydrophobicContact CD2-CE2 3.74Å; L610-F632 HydrophobicContact CD2-CZ 3.74Å; L610-F632 HydrophobicContact CG-CZ 4.29Å; L614-F632 HydrophobicContact CD1-CZ 4.44Å; F623-F632 HydrophobicContact CB-CD1 3.99Å; F623-F632 HydrophobicContact CB-CE1 3.77Å; F623-F632 HydrophobicContact CB-CG 4.44Å; F623-F632 HydrophobicContact CB-CZ 4.04Å; F623-F632 HydrophobicContact CD1-CD1 4.48Å; F623-F632 AromaticContact CD1-CD2 3.75Å; F623-F632 HydrophobicContact CD1-CD2 3.75Å; F623-F632 HydrophobicContact CD1-CE1 4.28Å; F623-F632 AromaticContact CD1-CE2 3.51Å; F623-F632 HydrophobicContact CD1-CE2 3.51Å; F623-F632 HydrophobicContact CD1-CG 4.22Å; F623-F632 AromaticContact CD1-CZ 3.78Å; F623-F632 HydrophobicContact CD1-CZ 3.78Å; F623-F632 HydrophobicContact CE1-CD2 4.4Å; F623-F632 HydrophobicContact CE1-CE2 4.01Å; F623-F632 HydrophobicContact CG-CE1 4.25Å; F623-F632 HydrophobicContact CG-CE2 4.21Å; F623-F632 AromaticContact CG-CZ 4Å; F623-F632 HydrophobicContact CG-CZ 4Å; F624-F632 HydrophobicContact CD1-CD1 4.3Å; F624-F632 AromaticContact CE1-CD1 3.84Å; F624-F632 HydrophobicContact CE1-CD1 3.84Å; F624-F632 AromaticContact CE1-CE1 3.98Å; F624-F632 HydrophobicContact CE1-CE1 3.98Å; F624-F632 HydrophobicContact CE2-CE1 4.08Å; F624-F632 HydrophobicContact CZ-CD1 4Å; F624-F632 AromaticContact CZ-CE1 3.64Å; F624-F632 HydrophobicContact CZ-CE1 3.64Å; P628-F632 PolarHBondContact O-N 3.4Å; P628-F632 VanDerWaalsContact O-N 3.17Å; G629-F632 WeakPolarHBondContact O-CB 3.19Å; G629-F632 PolarHBondContact O-N 3.19Å; F632-Q635 WeakPolarHBondContact O-CB 3.35Å; F632-Q635 PolarHBondContact O-N 3.02Å; F632-L636 HydrophobicContact CD2-CG 4.42Å; F632-L636 HydrophobicContact CE1-CD1 3.82Å; F632-L636 HydrophobicContact CE2-CD1 3.95Å; F632-L636 HydrophobicContact CE2-CD2 4.29Å; F632-L636 HydrophobicContact CE2-CG 3.98Å; F632-L636 HydrophobicContact CZ-CD1 3.53Å; F632-L636 HydrophobicContact CZ-CG 4.1Å; F632-L636 PolarHBondContact O-N 2.88Å
633L91.1Very high83.7Confident0 Ų053.6 Ų53.60%027%0.274CS..Hα-helixtrans-63.1-42174.5-74.8-174.1000112.6F624 G629 M630 Q635 L636 C637 L661 V673 M674 C677 F681F624-L633 HydrophobicContact CE1-CD1 4.25Å; F624-L633 HydrophobicContact CE1-CD2 3.69Å; F624-L633 HydrophobicContact CE1-CG 3.84Å; F624-L633 HydrophobicContact CZ-CD2 4.07Å; G629-L633 WeakPolarHBondContact O-CG 3.47Å; G629-L633 PolarHBondContact O-N 3.12Å; M630-L633 PolarHBondContact O-N 3.39Å; M630-L633 HydrophobicContact SD-CD1 4.37Å; L633-Q635 VanDerWaalsContact C-N 3.28Å; L633-Q635 PolarHBondContact O-N 2.99Å; L633-L636 PolarHBondContact O-N 2.93Å; L633-C637 WeakPolarHBondContact O-CB 3.31Å; L633-C637 PolarHBondContact O-N 3.01Å; L633-L661 HydrophobicContact CD2-CD2 3.83Å; L633-V673 HydrophobicContact CD1-CG1 3.58Å; L633-V673 HydrophobicContact CG-CG1 4.28Å; L633-M674 HydrophobicContact CD1-CE 4.38Å; L633-M674 HydrophobicContact CD1-SD 3.98Å; L633-M674 HydrophobicContact CD2-CE 3.61Å; L633-M674 HydrophobicContact CD2-SD 4.24Å; L633-C677 VanDerWaalsContact CD1-SG 3.51Å; L633-F681 HydrophobicContact CB-CE2 4.19Å; L633-F681 HydrophobicContact CD1-CE2 4.47Å
634N88.2Confident82Confident98 Ų9856.2 Ų56.252%0.52430%0.301SS..Hα-helixtrans-61.3-38.8175.6-74.3-30.8000111.5M630 E631 C637 S638M630-N634 WeakPolarHBondContact O-CB 3.38Å; M630-N634 PolarHBondContact O-N 3.34Å; M630-N634 PolarHBondContact O-ND2 2.88Å; M630-N634 VanDerWaalsContact O-ND2 3.11Å; E631-N634 PolarHBondContact O-N 3.11Å; N634-C637 PolarHBondContact O-N 2.97Å; N634-S638 PolarHBondContact O-N 3.49Å
635Q91.1Very high80.2Confident47 Ų4766.2 Ų66.222%0.2234%0.344CS..Hα-helixtrans-62.8-48.7173.5-173.5177.518.300111.2L596 E631 F632 L633 C637 S638 F639L596-Q635 PolarHBondContact O-NE2 2.85Å; L596-Q635 VanDerWaalsContact O-NE2 3.1Å; E631-Q635 PolarHBondContact O-N 3.36Å; F632-Q635 WeakPolarHBondContact O-CB 3.35Å; F632-Q635 PolarHBondContact O-N 3.02Å; L633-Q635 VanDerWaalsContact C-N 3.28Å; L633-Q635 PolarHBondContact O-N 2.99Å; Q635-C637 VanDerWaalsContact C-N 3.33Å; Q635-C637 PolarHBondContact O-N 3.24Å; Q635-S638 WeakPolarHBondContact O-CB 3.37Å; Q635-S638 PolarHBondContact O-N 3.02Å; Q635-S638 VanDerWaalsContact O-N 3.16Å; Q635-S638 PolarHBondContact O-OG 3.45Å; Q635-F639 HydrophobicContact CG-CE2 4.18Å; Q635-F639 HydrophobicContact CG-CZ 3.78Å
636L91.2Very high78.9Confident1 Ų160.4 Ų60.41%0.00532%0.321CS..Hα-helixtrans-59.8-42.1175.9-72.3-176.2000112.5L610 F632 L633 S638 F639 V657 L661L610-L636 HydrophobicContact CD2-CD2 3.85Å; F632-L636 HydrophobicContact CD2-CG 4.42Å; F632-L636 HydrophobicContact CE1-CD1 3.82Å; F632-L636 HydrophobicContact CE2-CD1 3.95Å; F632-L636 HydrophobicContact CE2-CD2 4.29Å; F632-L636 HydrophobicContact CE2-CG 3.98Å; F632-L636 HydrophobicContact CZ-CD1 3.53Å; F632-L636 HydrophobicContact CZ-CG 4.1Å; F632-L636 PolarHBondContact O-N 2.88Å; L633-L636 PolarHBondContact O-N 2.93Å; L636-S638 VanDerWaalsContact C-N 3.28Å; L636-S638 PolarHBondContact O-N 3.25Å; L636-F639 HydrophobicContact CD2-CD2 4.26Å; L636-F639 HydrophobicContact CD2-CE2 4.34Å; L636-F639 WeakPolarHBondContact O-CB 3.32Å; L636-F639 PolarHBondContact O-N 3.06Å; L636-F639 VanDerWaalsContact O-N 3.15Å; L636-V657 HydrophobicContact CB-CG1 4.37Å; L636-V657 WeakPolarHBondContact O-CG1 3.3Å; L636-L661 HydrophobicContact CD1-CD2 4.25Å
637C86.2Confident78Confident21 Ų2163.3 Ų63.314%0.14233%0.332CS..Hα-helixtrans-62.7-33.8176.5-87.10000113.2L633 N634 Q635 F639 M640 F681L633-C637 WeakPolarHBondContact O-CB 3.31Å; L633-C637 PolarHBondContact O-N 3.01Å; N634-C637 PolarHBondContact O-N 2.97Å; Q635-C637 VanDerWaalsContact C-N 3.33Å; Q635-C637 PolarHBondContact O-N 3.24Å; C637-F639 PolarHBondContact O-N 3.4Å; C637-M640 WeakPolarHBondContact O-CB 3.32Å; C637-M640 PolarHBondContact O-N 2.92Å; C637-F681 WeakPolarHBondContact SG-CD2 3.43Å; C637-F681 WeakPolarHBondContact SG-CE2 3.5Å
638S87.6Confident77.2Confident70 Ų7063.1 Ų63.149%0.4934%0.344SS..Hα-helixtrans-59.9-28.4176.580.50000112.5N634 Q635 L636 M640N634-S638 PolarHBondContact O-N 3.49Å; Q635-S638 WeakPolarHBondContact O-CB 3.37Å; Q635-S638 PolarHBondContact O-N 3.02Å; Q635-S638 VanDerWaalsContact O-N 3.16Å; Q635-S638 PolarHBondContact O-OG 3.45Å; L636-S638 VanDerWaalsContact C-N 3.28Å; L636-S638 PolarHBondContact O-N 3.25Å; S638-M640 VanDerWaalsContact C-N 3.34Å
639F87.8Confident76.1Confident22 Ų2263.8 Ų63.810%0.09634%0.342CS..THydrogen-bonded Turntrans-79.2-12.9178.2-53.4-30.2000113.9L596 L603 V607 Q635 L636 C637 L653 V657L596-F639 HydrophobicContact CD2-CE2 4.39Å; L603-F639 HydrophobicContact CD1-CD1 3.64Å; L603-F639 HydrophobicContact CD1-CD2 4.26Å; L603-F639 HydrophobicContact CD1-CE1 3.35Å; L603-F639 HydrophobicContact CD1-CE2 3.99Å; L603-F639 HydrophobicContact CD1-CG 4.11Å; L603-F639 HydrophobicContact CD1-CZ 3.53Å; L603-F639 HydrophobicContact CD2-CZ 4.36Å; V607-F639 HydrophobicContact CG2-CD2 4.38Å; Q635-F639 HydrophobicContact CG-CE2 4.18Å; Q635-F639 HydrophobicContact CG-CZ 3.78Å; L636-F639 HydrophobicContact CD2-CD2 4.26Å; L636-F639 HydrophobicContact CD2-CE2 4.34Å; L636-F639 WeakPolarHBondContact O-CB 3.32Å; L636-F639 PolarHBondContact O-N 3.06Å; L636-F639 VanDerWaalsContact O-N 3.15Å; C637-F639 PolarHBondContact O-N 3.4Å; F639-L653 HydrophobicContact CB-CD2 4.25Å; F639-L653 HydrophobicContact CB-CG 4.44Å; F639-V657 HydrophobicContact CB-CG2 3.87Å; F639-V657 HydrophobicContact CD2-CG2 4.36Å
640M82.8Confident75.7Confident2 Ų263.9 Ų63.91%0.0134%0.342CS..THydrogen-bonded Turntrans-74.5-26.2-176.3-66.5179.756.800113.3C637 S638 T642 R646 L654 V657 L658 L661 V685C637-M640 WeakPolarHBondContact O-CB 3.32Å; C637-M640 PolarHBondContact O-N 2.92Å; S638-M640 VanDerWaalsContact C-N 3.34Å; M640-T642 HydrophobicContact CB-CG2 4.21Å; M640-T642 HydrophobicContact CE-CG2 4.28Å; M640-T642 PolarHBondContact O-N 3.11Å; M640-T642 VanDerWaalsContact O-N 3.11Å; M640-R646 PolarHBondContact O-NH2 2.9Å; M640-L654 HydrophobicContact CB-CD1 3.88Å; M640-L654 HydrophobicContact CE-CD1 4.1Å; M640-L654 HydrophobicContact CG-CD1 4Å; M640-V657 HydrophobicContact CG-CB 4.46Å; M640-V657 HydrophobicContact CG-CG1 3.61Å; M640-V657 HydrophobicContact SD-CG1 4.27Å; M640-L658 HydrophobicContact CE-CD2 3.65Å; M640-L658 HydrophobicContact CE-CG 4.5Å; M640-L658 HydrophobicContact SD-CD2 4.5Å; M640-L661 HydrophobicContact SD-CD1 4.03Å; M640-V685 HydrophobicContact CE-CG2 4.17Å
641Q71.1Confident75.4Confident95 Ų9561.6 Ų61.644%0.44433%0.331SS..  trans29.164.1-179.4-64.9-176.412.900114.1E600 N643 R646E600-Q641 PolarHBondContact OE1-NE2 3Å; E600-Q641 PolarHBondContact OE2-NE2 3.31Å; Q641-N643 VanDerWaalsContact C-N 3.34Å; Q641-N643 PolarHBondContact O-N 2.93Å; Q641-R646 PolarHBondContact O-NE 3.24Å; Q641-R646 PolarHBondContact O-NH2 3.41Å
642T59.9Low75.3Confident27 Ų2760.1 Ų60.117%0.16633%0.325CS..THydrogen-bonded Turntrans-78.9-13.5-172.849.20000114.9M640 R646 E687M640-T642 HydrophobicContact CB-CG2 4.21Å; M640-T642 HydrophobicContact CE-CG2 4.28Å; M640-T642 PolarHBondContact O-N 3.11Å; M640-T642 VanDerWaalsContact O-N 3.11Å; T642-R646 VanDerWaalsContact CA-NH2 3.3Å; T642-R646 VanDerWaalsContact CG2-NH2 3.29Å; T642-E687 HydrophobicContact CG2-CB 4.39Å
643N58.2Low75.3Confident136 Ų13660 Ų6073%0.72733%0.325SS*.THydrogen-bonded Turntrans-108.328.3-166.4-62.5-10.4000114.2Q641Q641-N643 VanDerWaalsContact C-N 3.34Å; Q641-N643 PolarHBondContact O-N 2.93Å
644G57.6Low75.3Confident55 Ų5560 Ų6057%0.56733%0.325SS*.SBendtrans-151.4167.1-177.100000115.3R646G644-R646 PolarHBondContact O-N 3.47Å
645K55Low75.5Confident218 Ų21855.7 Ų55.795%0.94830%0.302SS*.  trans-64.599.7173.2-73.6-175.3179.3-1790109.5
646R58.1Low75.6Confident59 Ų5953.9 Ų53.922%0.22329%0.294CS..  trans-74.6140.9-179.7-69.2-171.2-172.5146.7-8.8112.3M640 Q641 T642 G644 D651M640-R646 PolarHBondContact O-NH2 2.9Å; Q641-R646 PolarHBondContact O-NE 3.24Å; Q641-R646 PolarHBondContact O-NH2 3.41Å; T642-R646 VanDerWaalsContact CA-NH2 3.3Å; T642-R646 VanDerWaalsContact CG2-NH2 3.29Å; G644-R646 PolarHBondContact O-N 3.47Å; R646-D651 WeakPolarHBondContact CB-OD1 3.47Å; R646-D651 VanDerWaalsContact CD-OD1 3.25Å; R646-D651 WeakPolarHBondContact CD-OD1 3.22Å
647Q57Low75.8Confident159 Ų15953.8 Ų53.874%0.74329%0.293SS*.  trans-84.4155.6164.7-62.6-178.22.400109.4H649 S650 D651Q647-H649 PolarHBondContact O-N 3.47Å; Q647-S650 VanDerWaalsContact O-CB 3.31Å; Q647-S650 WeakPolarHBondContact O-CB 3.34Å; Q647-S650 PolarHBondContact O-N 2.86Å; Q647-D651 PolarHBondContact O-N 2.84Å
648G58.4Low76.2Confident51 Ų5152.8 Ų52.853%0.52629%0.287SS..Hα-helixtrans-58.4-22.2-173.500000116K693G648-K693 PolarHBondContact O-NZ 3.27Å
649H60.1Low76.6Confident76 Ų7652.1 Ų52.135%0.35227%0.273SS..Hα-helixtrans-68.7-45.6171.5-176.879.5000112.1E601 Q647 D651 M652 L653E601-H649 WeakPolarHBondContact CA-NE2 3.49Å; E601-H649 PolarHBondContact O-CE1 3.31Å; E601-H649 VanDerWaalsContact O-CE1 3.3Å; E601-H649 PolarHBondContact O-NE2 3.04Å; Q647-H649 PolarHBondContact O-N 3.47Å; H649-D651 PolarHBondContact O-N 3.43Å; H649-M652 PolarHBondContact O-N 2.7Å; H649-M652 VanDerWaalsContact O-N 3.17Å; H649-L653 PolarHBondContact O-N 3.22Å
650S77.1Confident77Confident9 Ų951.1 Ų51.16%0.06327%0.269CS..Hα-helixtrans-59.6-34.6177.6-179.50000111.7Q647 M652 L653 L654Q647-S650 VanDerWaalsContact O-CB 3.31Å; Q647-S650 WeakPolarHBondContact O-CB 3.34Å; Q647-S650 PolarHBondContact O-N 2.86Å; S650-M652 PolarHBondContact O-N 3.39Å; S650-L653 PolarHBondContact O-N 3.35Å; S650-L654 PolarHBondContact O-N 3.31Å
651D81.8Confident77.7Confident23 Ų2351 Ų5112%0.12327%0.268CS..Hα-helixtrans-65.8-38177.2-70.7-20.6000113.6R646 Q647 H649 V655 K693R646-D651 WeakPolarHBondContact CB-OD1 3.47Å; R646-D651 VanDerWaalsContact CD-OD1 3.25Å; R646-D651 WeakPolarHBondContact CD-OD1 3.22Å; Q647-D651 PolarHBondContact O-N 2.84Å; H649-D651 PolarHBondContact O-N 3.43Å; D651-V655 WeakPolarHBondContact O-CG2 3.49Å; D651-V655 PolarHBondContact O-N 3.5Å; D651-K693 HydrophobicContact CB-CD 3.93Å
652M89Confident78.9Confident92 Ų9246.5 Ų46.545%0.45325%0.247SC..Hα-helixtrans-74.1-35.6177.6-71-55-158.100111.6L604 H649 S650 L654 V655 V656 K693L604-M652 HydrophobicContact CD1-CB 3.46Å; L604-M652 VanDerWaalsContact CD1-CB 3.46Å; L604-M652 HydrophobicContact CD1-CG 4.43Å; H649-M652 PolarHBondContact O-N 2.7Å; H649-M652 VanDerWaalsContact O-N 3.17Å; S650-M652 PolarHBondContact O-N 3.39Å; M652-L654 VanDerWaalsContact C-N 3.33Å; M652-V655 WeakPolarHBondContact O-CB 3.46Å; M652-V655 PolarHBondContact O-N 3.34Å; M652-V656 PolarHBondContact O-N 2.99Å; M652-K693 VanDerWaalsContact CG-NZ 3.32Å; M652-K693 HydrophobicContact SD-CD 4.18Å; M652-K693 PolarHBondContact SD-NZ 2.97Å
653L91.1Very high80.6Confident0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-60.5-44.7173.1-177.259.5000110.6E600 L603 V607 F639 H649 S650 V655 V656 V657E600-L653 HydrophobicContact CG-CD2 3.83Å; L603-L653 HydrophobicContact CB-CD1 3.96Å; L603-L653 HydrophobicContact CB-CD2 4.4Å; V607-L653 HydrophobicContact CB-CD1 4.48Å; V607-L653 HydrophobicContact CG2-CD1 4.11Å; F639-L653 HydrophobicContact CB-CD2 4.25Å; F639-L653 HydrophobicContact CB-CG 4.44Å; H649-L653 PolarHBondContact O-N 3.22Å; S650-L653 PolarHBondContact O-N 3.35Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 3.24Å; L653-V656 HydrophobicContact CD1-CG2 4.15Å; L653-V656 WeakPolarHBondContact O-CG2 3.4Å; L653-V656 PolarHBondContact O-N 3.46Å; L653-V657 HydrophobicContact CD1-CG2 4.26Å; L653-V657 HydrophobicContact CG-CG2 4.38Å; L653-V657 VanDerWaalsContact O-CG2 3.27Å; L653-V657 WeakPolarHBondContact O-CG2 3.46Å; L653-V657 PolarHBondContact O-N 2.92Å
654L91.9Very high82.4Confident0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-53.3-47.5173.6176.270.8000111.7M640 S650 M652 V656 V657 L658 A688 A691 A696M640-L654 HydrophobicContact CB-CD1 3.88Å; M640-L654 HydrophobicContact CE-CD1 4.1Å; M640-L654 HydrophobicContact CG-CD1 4Å; S650-L654 PolarHBondContact O-N 3.31Å; M652-L654 VanDerWaalsContact C-N 3.33Å; L654-V656 PolarHBondContact O-N 2.72Å; L654-V657 PolarHBondContact O-N 3.47Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 3.97Å; L654-L658 HydrophobicContact CD2-CD1 4.05Å; L654-L658 HydrophobicContact CG-CD1 3.69Å; L654-L658 HydrophobicContact CG-CG 4.23Å; L654-L658 WeakPolarHBondContact O-CG 3.27Å; L654-L658 PolarHBondContact O-N 3.26Å; L654-A688 HydrophobicContact CD1-CB 4.3Å; L654-A688 HydrophobicContact CD2-CB 4.05Å; L654-A691 HydrophobicContact CD2-CB 4.13Å; L654-A696 HydrophobicContact CD2-CB 3.91Å
655V93Very high84.3Confident6 Ų636.1 Ų36.14%0.03618%0.178CC..Hα-helixtrans-56.9-49.5-178.4174.70000110.8D651 M652 L653 L658 R659 S695 A696D651-V655 WeakPolarHBondContact O-CG2 3.49Å; D651-V655 PolarHBondContact O-N 3.5Å; M652-V655 WeakPolarHBondContact O-CB 3.46Å; M652-V655 PolarHBondContact O-N 3.34Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 3.24Å; V655-L658 PolarHBondContact O-N 2.94Å; V655-R659 VanDerWaalsContact O-CG 3.27Å; V655-R659 WeakPolarHBondContact O-CG 3.33Å; V655-R659 PolarHBondContact O-N 2.95Å; V655-S695 WeakPolarHBondContact CG2-OG 3.32Å; V655-A696 HydrophobicContact CG2-CB 3.74Å
656V93.4Very high86.1Confident9 Ų927.5 Ų27.56%0.05514%0.144CC..Hα-helixtrans-70.6-33.5-176.9-64.70000112.2V607 D608 M652 L653 L654 R659 A660V607-V656 HydrophobicContact CB-CB 4.48Å; V607-V656 HydrophobicContact CB-CG2 3.85Å; V607-V656 HydrophobicContact CG1-CB 4.1Å; V607-V656 HydrophobicContact CG1-CG2 3.78Å; D608-V656 HydrophobicContact CB-CB 4.46Å; D608-V656 HydrophobicContact CB-CG1 4Å; M652-V656 PolarHBondContact O-N 2.99Å; L653-V656 HydrophobicContact CD1-CG2 4.15Å; L653-V656 WeakPolarHBondContact O-CG2 3.4Å; L653-V656 PolarHBondContact O-N 3.46Å; L654-V656 PolarHBondContact O-N 2.72Å; V656-R659 PolarHBondContact O-N 2.95Å; V656-A660 WeakPolarHBondContact O-CB 3.44Å; V656-A660 PolarHBondContact O-N 3.28Å
657V95.1Very high87.9Confident0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-62.6-49173.1173.20000110.7V607 L636 F639 M640 L653 L654 R659 A660 L661V607-V657 HydrophobicContact CG1-CB 4.49Å; V607-V657 HydrophobicContact CG1-CG2 3.89Å; V607-V657 HydrophobicContact CG2-CG2 4.49Å; L636-V657 HydrophobicContact CB-CG1 4.37Å; L636-V657 WeakPolarHBondContact O-CG1 3.3Å; F639-V657 HydrophobicContact CB-CG2 3.87Å; F639-V657 HydrophobicContact CD2-CG2 4.36Å; M640-V657 HydrophobicContact CG-CB 4.46Å; M640-V657 HydrophobicContact CG-CG1 3.61Å; M640-V657 HydrophobicContact SD-CG1 4.27Å; L653-V657 HydrophobicContact CD1-CG2 4.26Å; L653-V657 HydrophobicContact CG-CG2 4.38Å; L653-V657 VanDerWaalsContact O-CG2 3.27Å; L653-V657 WeakPolarHBondContact O-CG2 3.46Å; L653-V657 PolarHBondContact O-N 2.92Å; L654-V657 PolarHBondContact O-N 3.47Å; V657-R659 VanDerWaalsContact C-N 3.29Å; V657-R659 PolarHBondContact O-N 3.45Å; V657-A660 WeakPolarHBondContact O-CB 3.38Å; V657-A660 PolarHBondContact O-N 3.38Å; V657-A660 VanDerWaalsContact O-N 3.12Å; V657-L661 WeakPolarHBondContact O-CG 3.35Å; V657-L661 PolarHBondContact O-N 3.12Å
658L95.2Very high89.6Confident0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-62.9-35.4178-70.1168.8000112.7M640 L654 V655 L661 S662 V685 A688 A696 A699 A700M640-L658 HydrophobicContact CE-CD2 3.65Å; M640-L658 HydrophobicContact CE-CG 4.5Å; M640-L658 HydrophobicContact SD-CD2 4.5Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 3.97Å; L654-L658 HydrophobicContact CD2-CD1 4.05Å; L654-L658 HydrophobicContact CG-CD1 3.69Å; L654-L658 HydrophobicContact CG-CG 4.23Å; L654-L658 WeakPolarHBondContact O-CG 3.27Å; L654-L658 PolarHBondContact O-N 3.26Å; V655-L658 PolarHBondContact O-N 2.94Å; L658-L661 HydrophobicContact CD2-CD1 4.43Å; L658-L661 PolarHBondContact O-N 3.27Å; L658-S662 PolarHBondContact O-N 2.86Å; L658-S662 PolarHBondContact O-OG 3.33Å; L658-V685 HydrophobicContact CD2-CG1 4.11Å; L658-A688 HydrophobicContact CD1-CB 3.83Å; L658-A688 HydrophobicContact CD2-CB 4.23Å; L658-A696 HydrophobicContact CD1-CB 4.43Å; L658-A696 WeakPolarHBondContact CD1-O 3.09Å; L658-A699 HydrophobicContact CB-CB 3.49Å; L658-A699 VanDerWaalsContact CB-CB 3.49Å; L658-A699 HydrophobicContact CD1-CB 4.29Å; L658-A700 HydrophobicContact CD1-CB 4.02Å; L658-A700 HydrophobicContact CD2-CB 4.34Å
659R95.6Very high91.3Very high56 Ų5622.1 Ų22.121%0.21111%0.108CC..Hα-helixtrans-66.9-40.7172.8-71.8179.5173.8178.8-3111.9F540 V655 V656 V657 L661 S662 N663 A699F540-R659 HydrophobicContact CB-CB 4.03Å; F540-R659 HydrophobicContact CB-CG 3.98Å; F540-R659 HydrophobicContact CD1-CG 3.82Å; F540-R659 HydrophobicContact CD2-CB 3.91Å; F540-R659 HydrophobicContact CD2-CG 3.69Å; F540-R659 HydrophobicContact CE1-CG 4.19Å; F540-R659 HydrophobicContact CE2-CG 4.07Å; F540-R659 HydrophobicContact CG-CB 3.98Å; F540-R659 HydrophobicContact CG-CG 3.55Å; F540-R659 HydrophobicContact CZ-CG 4.3Å; V655-R659 VanDerWaalsContact O-CG 3.27Å; V655-R659 WeakPolarHBondContact O-CG 3.33Å; V655-R659 PolarHBondContact O-N 2.95Å; V656-R659 PolarHBondContact O-N 2.95Å; V657-R659 VanDerWaalsContact C-N 3.29Å; V657-R659 PolarHBondContact O-N 3.45Å; R659-L661 VanDerWaalsContact C-N 3.35Å; R659-S662 PolarHBondContact O-N 3.27Å; R659-N663 PolarHBondContact O-N 3.04Å; R659-A699 HydrophobicContact CG-CB 3.87Å
660A96Very high92.9Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-59.3-47.3173.400000110.6V607 R611 L614 V656 V657 S662 N663 S664V607-A660 HydrophobicContact CG1-CB 4.35Å; R611-A660 HydrophobicContact CB-CB 3.83Å; L614-A660 HydrophobicContact CD1-CB 4.15Å; V656-A660 WeakPolarHBondContact O-CB 3.44Å; V656-A660 PolarHBondContact O-N 3.28Å; V657-A660 WeakPolarHBondContact O-CB 3.38Å; V657-A660 PolarHBondContact O-N 3.38Å; V657-A660 VanDerWaalsContact O-N 3.12Å; A660-S662 VanDerWaalsContact C-N 3.29Å; A660-S662 PolarHBondContact O-N 3.15Å; A660-N663 PolarHBondContact O-N 3.16Å; A660-N663 VanDerWaalsContact O-N 3.15Å; A660-S664 PolarHBondContact O-N 3.24Å; A660-S664 PolarHBondContact O-OG 3.31Å
661L96.1Very high93.8Very high0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-57.4-40.5175.4-65.1178.6000112.3L633 L636 M640 V657 L658 R659 S664 F665 M674 F681 V685L633-L661 HydrophobicContact CD2-CD2 3.83Å; L636-L661 HydrophobicContact CD1-CD2 4.25Å; M640-L661 HydrophobicContact SD-CD1 4.03Å; V657-L661 WeakPolarHBondContact O-CG 3.35Å; V657-L661 PolarHBondContact O-N 3.12Å; L658-L661 HydrophobicContact CD2-CD1 4.43Å; L658-L661 PolarHBondContact O-N 3.27Å; R659-L661 VanDerWaalsContact C-N 3.35Å; L661-S664 WeakPolarHBondContact O-CB 3.42Å; L661-S664 PolarHBondContact O-N 3.4Å; L661-S664 PolarHBondContact O-OG 3.49Å; L661-F665 WeakPolarHBondContact O-CD2 3.2Å; L661-F665 WeakPolarHBondContact O-CE2 3.31Å; L661-M674 HydrophobicContact CB-CE 4.34Å; L661-M674 HydrophobicContact CD2-CE 3.78Å; L661-F681 HydrophobicContact CD1-CZ 4.36Å; L661-F681 HydrophobicContact CD2-CZ 4.04Å; L661-V685 HydrophobicContact CD1-CG2 4.1Å
662S96.4Very high94.3Very high0 Ų023.8 Ų23.80%011%0.114CC..Hα-helixtrans-65.2-43.2176.9-60.10000111.9L658 R659 A660 S664 F665 A699 A703 N706L658-S662 PolarHBondContact O-N 2.86Å; L658-S662 PolarHBondContact O-OG 3.33Å; R659-S662 PolarHBondContact O-N 3.27Å; A660-S662 VanDerWaalsContact C-N 3.29Å; A660-S662 PolarHBondContact O-N 3.15Å; S662-S664 VanDerWaalsContact C-N 3.28Å; S662-S664 PolarHBondContact O-N 3.04Å; S662-F665 WeakPolarHBondContact O-CD2 3.28Å; S662-F665 PolarHBondContact O-N 2.61Å; S662-A699 PolarHBondContact OG-O 3.27Å; S662-A703 PolarHBondContact OG-N 2.99Å; S662-N706 PolarHBondContact O-ND2 3.1Å
663N96.7Very high94.5Very high0 Ų020.1 Ų20.10%010%0.097CC..Hα-helixtrans-69.6-23.6179.6-70.7-0.2000113.1T539 F540 R611 L614 L615 R659 A660 F665 V666T539-N663 WeakPolarHBondContact CA-OD1 3.38Å; F540-N663 PolarHBondContact N-OD1 2.92Å; F540-N663 PolarHBondContact O-ND2 3.44Å; R611-N663 PolarHBondContact O-ND2 2.89Å; L614-N663 HydrophobicContact CB-CB 4.26Å; L615-N663 HydrophobicContact CD2-CB 3.8Å; L615-N663 VanDerWaalsContact CD2-CG 3.46Å; L615-N663 HydrophobicContact CG-CB 4.22Å; R659-N663 PolarHBondContact O-N 3.04Å; A660-N663 PolarHBondContact O-N 3.16Å; A660-N663 VanDerWaalsContact O-N 3.15Å; N663-F665 PolarHBondContact O-N 3.48Å; N663-F665 VanDerWaalsContact O-N 3.11Å; N663-V666 WeakPolarHBondContact O-CG2 3.47Å; N663-V666 PolarHBondContact O-N 2.83Å; N663-V666 VanDerWaalsContact O-N 3.14Å
664S96.3Very high94.7Very high0 Ų020.1 Ų20.10%010%0.097CC..G310 helixtrans-56.3-26.5175.3-54.50000113.7N620 F624 A660 L661 S662 V666 G670 M674N620-S664 PolarHBondContact ND2-O 3.01Å; F624-S664 VanDerWaalsContact CZ-OG 3.28Å; F624-S664 WeakPolarHBondContact CZ-OG 3.36Å; A660-S664 PolarHBondContact O-N 3.24Å; A660-S664 PolarHBondContact O-OG 3.31Å; L661-S664 WeakPolarHBondContact O-CB 3.42Å; L661-S664 PolarHBondContact O-N 3.4Å; L661-S664 PolarHBondContact O-OG 3.49Å; S662-S664 VanDerWaalsContact C-N 3.28Å; S662-S664 PolarHBondContact O-N 3.04Å; S664-V666 VanDerWaalsContact C-N 3.28Å; S664-V666 PolarHBondContact O-N 2.94Å; S664-G670 WeakPolarHBondContact O-CA 3.43Å; S664-M674 WeakPolarHBondContact OG-CE 3.37Å
665F96.5Very high94.8Very high0 Ų021.2 Ų21.20%010%0.101CC..G310 helixtrans-76.2-9.3-178.6-70.3-96.6000114.4Y537 L661 S662 N663 H667 R671 M674 W682 N706 V707 L710Y537-F665 HydrophobicContact CD1-CB 3.55Å; Y537-F665 HydrophobicContact CD1-CD1 4.11Å; Y537-F665 HydrophobicContact CD1-CG 4.12Å; Y537-F665 HydrophobicContact CE1-CB 3.91Å; Y537-F665 AromaticContact CE1-CD1 3.81Å; Y537-F665 HydrophobicContact CE1-CD1 3.81Å; Y537-F665 HydrophobicContact CE1-CG 4.25Å; Y537-F665 HydrophobicContact CG-CB 4.01Å; L661-F665 WeakPolarHBondContact O-CD2 3.2Å; L661-F665 WeakPolarHBondContact O-CE2 3.31Å; S662-F665 WeakPolarHBondContact O-CD2 3.28Å; S662-F665 PolarHBondContact O-N 2.61Å; N663-F665 PolarHBondContact O-N 3.48Å; N663-F665 VanDerWaalsContact O-N 3.11Å; F665-H667 VanDerWaalsContact C-N 3.33Å; F665-H667 PolarHBondContact O-N 3.03Å; F665-R671 WeakPolarHBondContact O-CG 3.44Å; F665-R671 PolarHBondContact O-NE 3.32Å; F665-M674 HydrophobicContact CD2-CG 4.47Å; F665-M674 HydrophobicContact CE1-CB 3.87Å; F665-M674 HydrophobicContact CE1-CG 4.16Å; F665-M674 HydrophobicContact CE2-CE 4.33Å; F665-M674 HydrophobicContact CE2-CG 3.97Å; F665-M674 HydrophobicContact CE2-SD 4.2Å; F665-M674 HydrophobicContact CZ-CB 3.84Å; F665-M674 HydrophobicContact CZ-CG 3.8Å; F665-M674 HydrophobicContact CZ-SD 4.21Å; F665-W682 HydrophobicContact CE2-CH2 4.33Å; F665-W682 AromaticContact CZ-CH2 3.77Å; F665-W682 HydrophobicContact CZ-CH2 3.77Å; F665-W682 HydrophobicContact CZ-CZ2 4.36Å; F665-N706 HydrophobicContact CB-CB 4.2Å; F665-N706 HydrophobicContact CD1-CB 3.88Å; F665-N706 HydrophobicContact CD2-CB 3.59Å; F665-N706 HydrophobicContact CE1-CB 4.09Å; F665-N706 HydrophobicContact CE2-CB 3.82Å; F665-N706 HydrophobicContact CG-CB 3.62Å; F665-N706 HydrophobicContact CZ-CB 4.06Å; F665-V707 HydrophobicContact CE1-CB 4.09Å; F665-V707 HydrophobicContact CZ-CB 3.87Å; F665-L710 HydrophobicContact CD1-CB 4.28Å; F665-L710 HydrophobicContact CD1-CD2 4.13Å; F665-L710 HydrophobicContact CE1-CB 4.06Å; F665-L710 HydrophobicContact CE1-CD2 3.69Å
666V94.3Very high94.7Very high38 Ų3825.9 Ų25.923%0.2313%0.126CC..G310 helixtrans-62.9-40.8-173.8175.60000111.7T539 L615 N663 S664 R671T539-V666 HydrophobicContact CG2-CG2 3.43Å; T539-V666 VanDerWaalsContact CG2-CG2 3.43Å; L615-V666 HydrophobicContact CD2-CG2 3.76Å; N663-V666 WeakPolarHBondContact O-CG2 3.47Å; N663-V666 PolarHBondContact O-N 2.83Å; N663-V666 VanDerWaalsContact O-N 3.14Å; S664-V666 VanDerWaalsContact C-N 3.28Å; S664-V666 PolarHBondContact O-N 2.94Å; V666-R671 PolarHBondContact O-NH2 3.43Å
667H95Very high94.7Very high42 Ų4225.6 Ų25.619%0.19412%0.124CC..SBendtrans-113.8161.9-177.4-62.2-69.7000112.4L615 T616 E617 N620 F665 S669 R671L615-H667 PolarHBondContact O-NE2 2.9Å; T616-H667 VanDerWaalsContact C-CD2 3.42Å; T616-H667 VanDerWaalsContact C-NE2 3.28Å; T616-H667 PolarHBondContact O-CD2 3.46Å; E617-H667 PolarHBondContact N-CD2 2.88Å; E617-H667 PolarHBondContact N-NE2 3.46Å; E617-H667 VanDerWaalsContact N-NE2 3.13Å; N620-H667 HydrophobicContact CB-CB 3.88Å; F665-H667 VanDerWaalsContact C-N 3.33Å; F665-H667 PolarHBondContact O-N 3.03Å; H667-S669 PolarHBondContact O-N 3.42Å; H667-R671 WeakPolarHBondContact O-CG 3.47Å; H667-R671 PolarHBondContact O-N 2.97Å
668Q92.7Very high94.5Very high104 Ų10428.9 Ų28.949%0.48614%0.141SC..Hα-helixtrans-65.1-40.7-170.3-171.160.537.800113.2G670 R671 D672Q668-G670 VanDerWaalsContact C-N 3.35Å; Q668-G670 PolarHBondContact O-N 3.44Å; Q668-R671 WeakPolarHBondContact O-CB 3.25Å; Q668-R671 PolarHBondContact O-N 3.28Å; Q668-D672 PolarHBondContact NE2-OD1 2.91Å; Q668-D672 VanDerWaalsContact O-CG 3.29Å; Q668-D672 PolarHBondContact O-N 3.14Å
669S93.2Very high94.2Very high9 Ų932.2 Ų32.26%0.06316%0.157CC..Hα-helixtrans-56.4-45.6-179.9460000112.8N620 D621 H667 D672 V673N620-S669 PolarHBondContact OD1-OG 2.77Å; D621-S669 WeakPolarHBondContact CA-OG 3.32Å; D621-S669 PolarHBondContact N-OG 3.24Å; D621-S669 WeakPolarHBondContact OD1-CB 3.49Å; D621-S669 PolarHBondContact OD1-OG 3.41Å; H667-S669 PolarHBondContact O-N 3.42Å; S669-D672 PolarHBondContact O-N 3.12Å; S669-V673 PolarHBondContact O-N 3.11Å
670G94.9Very high94Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-67.7-36.5174.800000113.2N620 F624 S664 Q668 V673 M674N620-G670 WeakPolarHBondContact OD1-CA 3.33Å; N620-G670 PolarHBondContact OD1-N 3.18Å; F624-G670 VanDerWaalsContact CD2-CA 3.48Å; S664-G670 WeakPolarHBondContact O-CA 3.43Å; Q668-G670 VanDerWaalsContact C-N 3.35Å; Q668-G670 PolarHBondContact O-N 3.44Å; G670-V673 PolarHBondContact O-N 3.39Å; G670-M674 WeakPolarHBondContact O-CB 3.44Å; G670-M674 WeakPolarHBondContact O-CG 3.07Å; G670-M674 PolarHBondContact O-N 3.4Å
671R95.3Very high93.8Very high61 Ų6137 Ų3723%0.2318%0.179CC..Hα-helixtrans-62.8-42.2174-67175.8-153.8171.46.4111.9Y537 F665 V666 H667 Q668 V673 M674 Y675 L710Y537-R671 VanDerWaalsContact CE2-CZ 3.5Å; F665-R671 WeakPolarHBondContact O-CG 3.44Å; F665-R671 PolarHBondContact O-NE 3.32Å; V666-R671 PolarHBondContact O-NH2 3.43Å; H667-R671 WeakPolarHBondContact O-CG 3.47Å; H667-R671 PolarHBondContact O-N 2.97Å; Q668-R671 WeakPolarHBondContact O-CB 3.25Å; Q668-R671 PolarHBondContact O-N 3.28Å; R671-V673 VanDerWaalsContact C-N 3.31Å; R671-V673 PolarHBondContact O-N 2.99Å; R671-M674 PolarHBondContact O-N 3.09Å; R671-Y675 VanDerWaalsContact O-CB 3.31Å; R671-Y675 WeakPolarHBondContact O-CB 3.49Å; R671-Y675 PolarHBondContact O-N 3.44Å; R671-L710 HydrophobicContact CB-CD1 3.83Å; R671-L710 HydrophobicContact CB-CD2 4.43Å; R671-L710 HydrophobicContact CG-CD1 4.11Å
672D92.7Very high93.7Very high82 Ų8237.1 Ų37.144%0.43918%0.18SC..Hα-helixtrans-59.9-43.5179.9-67.3-19.1000110.9Q668 S669 L676Q668-D672 PolarHBondContact NE2-OD1 2.91Å; Q668-D672 VanDerWaalsContact O-CG 3.29Å; Q668-D672 PolarHBondContact O-N 3.14Å; S669-D672 PolarHBondContact O-N 3.12Å; D672-L676 WeakPolarHBondContact O-CG 3.34Å
673V93.6Very high93.5Very high15 Ų1538 Ų389%0.09119%0.188CC..Hα-helixtrans-73.2-42.3177.8-175.80000111.8F624 M630 L633 S669 G670 R671 Y675 L676F624-V673 HydrophobicContact CB-CG2 3.95Å; F624-V673 HydrophobicContact CD1-CB 3.73Å; F624-V673 HydrophobicContact CD1-CG1 3.98Å; F624-V673 HydrophobicContact CD1-CG2 3.86Å; F624-V673 HydrophobicContact CE1-CB 4.35Å; F624-V673 HydrophobicContact CE1-CG1 4.37Å; F624-V673 HydrophobicContact CG-CG2 4.36Å; M630-V673 HydrophobicContact CG-CG1 4.14Å; M630-V673 HydrophobicContact SD-CG1 3.69Å; L633-V673 HydrophobicContact CD1-CG1 3.58Å; L633-V673 HydrophobicContact CG-CG1 4.28Å; S669-V673 PolarHBondContact O-N 3.11Å; G670-V673 PolarHBondContact O-N 3.39Å; R671-V673 VanDerWaalsContact C-N 3.31Å; R671-V673 PolarHBondContact O-N 2.99Å; V673-Y675 PolarHBondContact O-N 2.87Å; V673-L676 PolarHBondContact O-N 3.49Å; V673-L676 VanDerWaalsContact O-N 3.1Å
674M94.8Very high93.3Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-61-34175.9-72.8-64.3-177.700112.2F624 L633 L661 S664 F665 G670 R671 L676 C677 F681 W682 L710F624-M674 HydrophobicContact CZ-CE 4.35Å; L633-M674 HydrophobicContact CD1-CE 4.38Å; L633-M674 HydrophobicContact CD1-SD 3.98Å; L633-M674 HydrophobicContact CD2-CE 3.61Å; L633-M674 HydrophobicContact CD2-SD 4.24Å; L661-M674 HydrophobicContact CB-CE 4.34Å; L661-M674 HydrophobicContact CD2-CE 3.78Å; S664-M674 WeakPolarHBondContact OG-CE 3.37Å; F665-M674 HydrophobicContact CD2-CG 4.47Å; F665-M674 HydrophobicContact CE1-CB 3.87Å; F665-M674 HydrophobicContact CE1-CG 4.16Å; F665-M674 HydrophobicContact CE2-CE 4.33Å; F665-M674 HydrophobicContact CE2-CG 3.97Å; F665-M674 HydrophobicContact CE2-SD 4.2Å; F665-M674 HydrophobicContact CZ-CB 3.84Å; F665-M674 HydrophobicContact CZ-CG 3.8Å; F665-M674 HydrophobicContact CZ-SD 4.21Å; G670-M674 WeakPolarHBondContact O-CB 3.44Å; G670-M674 WeakPolarHBondContact O-CG 3.07Å; G670-M674 PolarHBondContact O-N 3.4Å; R671-M674 PolarHBondContact O-N 3.09Å; M674-L676 PolarHBondContact O-N 3.36Å; M674-C677 WeakPolarHBondContact O-CB 3.48Å; M674-C677 PolarHBondContact O-N 3.46Å; M674-F681 HydrophobicContact SD-CE1 4.48Å; M674-F681 HydrophobicContact SD-CZ 4.41Å; M674-W682 HydrophobicContact SD-CH2 4.17Å; M674-W682 HydrophobicContact SD-CZ2 4.38Å; M674-L710 HydrophobicContact CB-CD2 4.15Å
675Y93.8Very high93.1Very high24 Ų2441 Ų419%0.09420%0.203CC..Hα-helixtrans-62.2-32.3176.6-172.7-111.2000112.3R671 V673 C677 L710 Y711 Q714 E719 R723R671-Y675 VanDerWaalsContact O-CB 3.31Å; R671-Y675 WeakPolarHBondContact O-CB 3.49Å; R671-Y675 PolarHBondContact O-N 3.44Å; V673-Y675 PolarHBondContact O-N 2.87Å; Y675-C677 VanDerWaalsContact C-N 3.33Å; Y675-L710 HydrophobicContact CD2-CD2 4.46Å; Y675-L710 HydrophobicContact CD2-CG 4.4Å; Y675-Y711 AromaticContact CD2-CD1 3.68Å; Y675-Y711 HydrophobicContact CD2-CD1 3.68Å; Y675-Y711 AromaticContact CD2-CE1 3.66Å; Y675-Y711 HydrophobicContact CD2-CE1 3.66Å; Y675-Y711 AromaticContact CE2-CD1 3.75Å; Y675-Y711 HydrophobicContact CE2-CD1 3.75Å; Y675-Y711 AromaticContact CE2-CE1 3.98Å; Y675-Y711 HydrophobicContact CE2-CE1 3.98Å; Y675-Q714 HydrophobicContact CD2-CG 4.06Å; Y675-Q714 HydrophobicContact CE2-CG 3.39Å; Y675-E719 WeakPolarHBondContact CE1-OE1 3.43Å; Y675-E719 WeakPolarHBondContact OH-CG 3.46Å; Y675-R723 VanDerWaalsContact CE2-CD 3.44Å; Y675-R723 VanDerWaalsContact CZ-CD 3.47Å; Y675-R723 PolarHBondContact O-NE 3.23Å; Y675-R723 PolarHBondContact O-NH1 2.95Å
676L91.9Very high93Very high104 Ų10441 Ų4155%0.54520%0.203SC..Hα-helixtrans-79.9-11.9-179.4-62.6173.6000113.8D672 V673 M674D672-L676 WeakPolarHBondContact O-CG 3.34Å; V673-L676 PolarHBondContact O-N 3.49Å; V673-L676 VanDerWaalsContact O-N 3.1Å; M674-L676 PolarHBondContact O-N 3.36Å
677C92.7Very high92.9Very high2 Ų240.5 Ų40.51%0.01420%0.199CC..  trans-63.5140.7-179.2-690000112L633 M674 Y675 F681 W682L633-C677 VanDerWaalsContact CD1-SG 3.51Å; M674-C677 WeakPolarHBondContact O-CB 3.48Å; M674-C677 PolarHBondContact O-N 3.46Å; Y675-C677 VanDerWaalsContact C-N 3.33Å; C677-F681 HydrophobicContact CB-CB 4.19Å; C677-F681 HydrophobicContact CB-CD1 3.79Å; C677-F681 HydrophobicContact CB-CE1 4.33Å; C677-F681 HydrophobicContact CB-CG 3.96Å; C677-W682 HydrophobicContact CB-CZ2 4.23Å
678D90.8Very high92.7Very high70 Ų7038.6 Ų38.637%0.37419%0.19SC..  trans-87.7174.2-177.773.74000112.8K680 F681 W682D678-K680 PolarHBondContact O-N 3.07Å; D678-K680 WeakPolarHBondContact OD1-CB 3.38Å; D678-K680 PolarHBondContact OD1-N 3.09Å; D678-F681 WeakPolarHBondContact O-CB 2.93Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 PolarHBondContact OD1-N 3.44Å; D678-W682 PolarHBondContact O-N 2.91Å
679E89.1Confident92.7Very high69 Ų6933.6 Ų33.632%0.32217%0.167SC..Hα-helixtrans-61.3-26.1178.162-84-175.600113.7W682 A683 R726 V730E679-W682 PolarHBondContact O-N 3.16Å; E679-A683 VanDerWaalsContact O-CB 3.29Å; E679-A683 WeakPolarHBondContact O-CB 3.38Å; E679-A683 PolarHBondContact O-N 3.01Å; E679-R726 HydrophobicContact CB-CB 4.37Å; E679-R726 IonicContact OE2-NH1 2.78Å; E679-R726 PolarHBondContact OE2-NH1 3.22Å; E679-V730 HydrophobicContact CB-CG2 3.92Å
680K90.3Very high92.6Very high144 Ų14437 Ų3763%0.62618%0.18SC*.Hα-helixtrans-72.7-41.3179.4-64.5176.1-177.8168.80111.2D678 W682 A683 N684D678-K680 PolarHBondContact O-N 3.07Å; D678-K680 WeakPolarHBondContact OD1-CB 3.38Å; D678-K680 PolarHBondContact OD1-N 3.09Å; K680-W682 VanDerWaalsContact C-N 3.34Å; K680-A683 PolarHBondContact O-N 3.29Å; K680-N684 PolarHBondContact O-N 3.5Å
681F92.9Very high92.3Very high13 Ų1337.4 Ų37.46%0.05718%0.183CC..Hα-helixtrans-55.9-51.7172.3178.6-84.9000110.3L633 C637 L661 M674 C677 D678 A683 N684 V685L633-F681 HydrophobicContact CB-CE2 4.19Å; L633-F681 HydrophobicContact CD1-CE2 4.47Å; C637-F681 WeakPolarHBondContact SG-CD2 3.43Å; C637-F681 WeakPolarHBondContact SG-CE2 3.5Å; L661-F681 HydrophobicContact CD1-CZ 4.36Å; L661-F681 HydrophobicContact CD2-CZ 4.04Å; M674-F681 HydrophobicContact SD-CE1 4.48Å; M674-F681 HydrophobicContact SD-CZ 4.41Å; C677-F681 HydrophobicContact CB-CB 4.19Å; C677-F681 HydrophobicContact CB-CD1 3.79Å; C677-F681 HydrophobicContact CB-CE1 4.33Å; C677-F681 HydrophobicContact CB-CG 3.96Å; D678-F681 WeakPolarHBondContact O-CB 2.93Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 PolarHBondContact OD1-N 3.44Å; F681-A683 VanDerWaalsContact C-N 3.32Å; F681-A683 PolarHBondContact O-N 3.33Å; F681-N684 WeakPolarHBondContact O-CB 3.34Å; F681-N684 PolarHBondContact O-N 2.9Å; F681-V685 HydrophobicContact CD1-CG2 4.39Å; F681-V685 HydrophobicContact CE1-CG2 4.06Å; F681-V685 PolarHBondContact O-N 3.24Å
682W94.2Very high91.7Very high2 Ų240.2 Ų40.21%0.00821%0.208CC..Hα-helixtrans-68.4-29.4-179.6-66.5114.6000113.2F665 M674 C677 D678 E679 K680 N684 V685 C686 V707 Y711 L727F665-W682 HydrophobicContact CE2-CH2 4.33Å; F665-W682 AromaticContact CZ-CH2 3.77Å; F665-W682 HydrophobicContact CZ-CH2 3.77Å; F665-W682 HydrophobicContact CZ-CZ2 4.36Å; M674-W682 HydrophobicContact SD-CH2 4.17Å; M674-W682 HydrophobicContact SD-CZ2 4.38Å; C677-W682 HydrophobicContact CB-CZ2 4.23Å; D678-W682 PolarHBondContact O-N 2.91Å; E679-W682 PolarHBondContact O-N 3.16Å; K680-W682 VanDerWaalsContact C-N 3.34Å; W682-N684 VanDerWaalsContact C-N 3.31Å; W682-N684 PolarHBondContact O-N 3.38Å; W682-V685 HydrophobicContact CE3-CB 4.16Å; W682-V685 HydrophobicContact CE3-CG1 4.43Å; W682-V685 HydrophobicContact CE3-CG2 4.1Å; W682-V685 HydrophobicContact CZ3-CG1 4.46Å; W682-V685 HydrophobicContact CZ3-CG2 4.24Å; W682-V685 PolarHBondContact O-N 3.35Å; W682-C686 WeakPolarHBondContact O-CB 3.31Å; W682-C686 PolarHBondContact O-N 3.28Å; W682-C686 PolarHBondContact O-SG 3.27Å; W682-V707 HydrophobicContact CD2-CG1 4.1Å; W682-V707 HydrophobicContact CD2-CG2 4.31Å; W682-V707 HydrophobicContact CE3-CB 4.42Å; W682-V707 HydrophobicContact CE3-CG1 3.82Å; W682-V707 HydrophobicContact CH2-CB 3.64Å; W682-V707 HydrophobicContact CH2-CG1 3.92Å; W682-V707 HydrophobicContact CH2-CG2 4Å; W682-V707 HydrophobicContact CZ2-CB 3.69Å; W682-V707 HydrophobicContact CZ2-CG1 4.14Å; W682-V707 HydrophobicContact CZ2-CG2 3.47Å; W682-V707 VanDerWaalsContact CZ2-CG2 3.47Å; W682-V707 HydrophobicContact CZ3-CB 4Å; W682-V707 HydrophobicContact CZ3-CG1 3.72Å; W682-Y711 PolarHBondContact NE1-OH 2.82Å; W682-L727 HydrophobicContact CB-CD1 3.69Å; W682-L727 HydrophobicContact CD2-CD1 4.44Å; W682-L727 HydrophobicContact CG-CD1 3.89Å
683A92.9Very high91.5Very high20 Ų2039 Ų3917%0.16520%0.198CC..Hα-helixtrans-62.2-38.2172.500000112.2E679 K680 F681 C686 E687 V730E679-A683 VanDerWaalsContact O-CB 3.29Å; E679-A683 WeakPolarHBondContact O-CB 3.38Å; E679-A683 PolarHBondContact O-N 3.01Å; K680-A683 PolarHBondContact O-N 3.29Å; F681-A683 VanDerWaalsContact C-N 3.32Å; F681-A683 PolarHBondContact O-N 3.33Å; A683-C686 PolarHBondContact O-N 3.4Å; A683-E687 WeakPolarHBondContact O-CB 3.49Å; A683-E687 PolarHBondContact O-N 2.92Å; A683-V730 VanDerWaalsContact CA-CG1 3.41Å; A683-V730 HydrophobicContact CB-CG1 3.66Å
684N90.8Very high91.4Very high61 Ų6140.9 Ų40.933%0.32621%0.21SC..Hα-helixtrans-66.8-40.2174.3-68.9-25.5000111.7K680 F681 W682 E687 A688K680-N684 PolarHBondContact O-N 3.5Å; F681-N684 WeakPolarHBondContact O-CB 3.34Å; F681-N684 PolarHBondContact O-N 2.9Å; W682-N684 VanDerWaalsContact C-N 3.31Å; W682-N684 PolarHBondContact O-N 3.38Å; N684-E687 PolarHBondContact O-N 2.96Å; N684-A688 PolarHBondContact O-N 3.21Å
685V93.7Very high91.2Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-64.7-42.8174.7-178.90000111.3M640 L658 L661 F681 W682 E687 A688 A703 I704M640-V685 HydrophobicContact CE-CG2 4.17Å; L658-V685 HydrophobicContact CD2-CG1 4.11Å; L661-V685 HydrophobicContact CD1-CG2 4.1Å; F681-V685 HydrophobicContact CD1-CG2 4.39Å; F681-V685 HydrophobicContact CE1-CG2 4.06Å; F681-V685 PolarHBondContact O-N 3.24Å; W682-V685 HydrophobicContact CE3-CB 4.16Å; W682-V685 HydrophobicContact CE3-CG1 4.43Å; W682-V685 HydrophobicContact CE3-CG2 4.1Å; W682-V685 HydrophobicContact CZ3-CG1 4.46Å; W682-V685 HydrophobicContact CZ3-CG2 4.24Å; W682-V685 PolarHBondContact O-N 3.35Å; V685-E687 VanDerWaalsContact C-N 3.34Å; V685-E687 PolarHBondContact O-N 3.02Å; V685-A688 WeakPolarHBondContact O-CB 3.35Å; V685-A688 PolarHBondContact O-N 3.38Å; V685-A703 HydrophobicContact CG1-CB 4.06Å; V685-I704 HydrophobicContact CG1-CG1 4.18Å
686C93.6Very high91.1Very high0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-65.4-35.7176.4-66.70000112.3W682 A683 A688 L689 V730 K734W682-C686 WeakPolarHBondContact O-CB 3.31Å; W682-C686 PolarHBondContact O-N 3.28Å; W682-C686 PolarHBondContact O-SG 3.27Å; A683-C686 PolarHBondContact O-N 3.4Å; C686-A688 PolarHBondContact O-N 3.43Å; C686-L689 VanDerWaalsContact O-CB 3.26Å; C686-L689 WeakPolarHBondContact O-CB 3.48Å; C686-L689 WeakPolarHBondContact O-CG 3.49Å; C686-L689 PolarHBondContact O-N 3.45Å; C686-V730 HydrophobicContact CB-CG1 4.36Å; C686-K734 HydrophobicContact CB-CB 4.08Å; C686-K734 HydrophobicContact CB-CG 3.83Å
687E91.7Very high91.1Very high29 Ų2937 Ų3714%0.13619%0.194CC..Hα-helixtrans-59.9-30.3175.3-164.568.4-150.100111.7T642 A683 N684 V685 L689 K690 K734T642-E687 HydrophobicContact CG2-CB 4.39Å; A683-E687 WeakPolarHBondContact O-CB 3.49Å; A683-E687 PolarHBondContact O-N 2.92Å; N684-E687 PolarHBondContact O-N 2.96Å; V685-E687 VanDerWaalsContact C-N 3.34Å; V685-E687 PolarHBondContact O-N 3.02Å; E687-L689 PolarHBondContact O-N 2.91Å; E687-L689 VanDerWaalsContact O-N 3.14Å; E687-K690 WeakPolarHBondContact O-CB 3.42Å; E687-K690 PolarHBondContact O-N 3.14Å; E687-K690 VanDerWaalsContact OE1-CD 3.26Å; E687-K690 WeakPolarHBondContact OE1-CD 3.39Å; E687-K690 WeakPolarHBondContact OE1-CE 3.3Å; E687-K690 IonicContact OE1-NZ 2.72Å; E687-K690 PolarHBondContact OE1-NZ 2.69Å; E687-K690 IonicContact OE2-NZ 3.67Å; E687-K734 VanDerWaalsContact OE2-CD 3.29Å; E687-K734 WeakPolarHBondContact OE2-CD 3.48Å; E687-K734 VanDerWaalsContact OE2-CE 3.26Å; E687-K734 WeakPolarHBondContact OE2-CE 3.37Å; E687-K734 IonicContact OE2-NZ 3.9Å; E687-K734 PolarHBondContact OE2-NZ 2.94Å
688A91.4Very high91.2Very high1 Ų138.8 Ų38.81%0.00821%0.205CC..G310 helixtrans-66.8-11.5177.400000114.1L654 L658 N684 V685 C686 K690 A691 A700L654-A688 HydrophobicContact CD1-CB 4.3Å; L654-A688 HydrophobicContact CD2-CB 4.05Å; L658-A688 HydrophobicContact CD1-CB 3.83Å; L658-A688 HydrophobicContact CD2-CB 4.23Å; N684-A688 PolarHBondContact O-N 3.21Å; V685-A688 WeakPolarHBondContact O-CB 3.35Å; V685-A688 PolarHBondContact O-N 3.38Å; C686-A688 PolarHBondContact O-N 3.43Å; A688-K690 PolarHBondContact O-N 3.44Å; A688-A691 WeakPolarHBondContact O-CB 3.27Å; A688-A691 PolarHBondContact O-N 2.84Å; A688-A691 VanDerWaalsContact O-N 3.09Å; A688-A700 HydrophobicContact CB-CB 4.03Å
689L92.2Very high91.3Very high0 Ų035.5 Ų35.50%019%0.188CC..G310 helixtrans-63.6-21.5168.6-66.4173000112.6C686 E687 A691 A700 I704 L731 L735 I738 F746 I754C686-L689 VanDerWaalsContact O-CB 3.26Å; C686-L689 WeakPolarHBondContact O-CB 3.48Å; C686-L689 WeakPolarHBondContact O-CG 3.49Å; C686-L689 PolarHBondContact O-N 3.45Å; E687-L689 PolarHBondContact O-N 2.91Å; E687-L689 VanDerWaalsContact O-N 3.14Å; L689-A691 PolarHBondContact O-N 3.02Å; L689-A700 HydrophobicContact CD2-CB 3.97Å; L689-A700 HydrophobicContact CG-CB 4.38Å; L689-I704 HydrophobicContact CD1-CD1 3.82Å; L689-I704 HydrophobicContact CD2-CD1 4.31Å; L689-I704 HydrophobicContact CG-CD1 4.12Å; L689-L731 HydrophobicContact CD1-CD1 4.29Å; L689-L735 HydrophobicContact CD1-CD2 4.19Å; L689-I738 HydrophobicContact CB-CD1 3.78Å; L689-F746 HydrophobicContact CB-CE1 4.19Å; L689-F746 HydrophobicContact CB-CZ 4.23Å; L689-F746 WeakPolarHBondContact O-CE1 3.46Å; L689-I754 HydrophobicContact CD1-CD1 4.39Å; L689-I754 HydrophobicContact CD2-CD1 4.27Å
690K90.6Very high91.6Very high81 Ų8132.2 Ų32.235%0.35217%0.172SC..G310 helixtrans-78.3-3.8173-70.8176.6-167.5168.20114.2E687 A688 T692 I738 V744E687-K690 WeakPolarHBondContact O-CB 3.42Å; E687-K690 PolarHBondContact O-N 3.14Å; E687-K690 VanDerWaalsContact OE1-CD 3.26Å; E687-K690 WeakPolarHBondContact OE1-CD 3.39Å; E687-K690 WeakPolarHBondContact OE1-CE 3.3Å; E687-K690 IonicContact OE1-NZ 2.72Å; E687-K690 PolarHBondContact OE1-NZ 2.69Å; E687-K690 IonicContact OE2-NZ 3.67Å; A688-K690 PolarHBondContact O-N 3.44Å; K690-T692 PolarHBondContact O-N 2.86Å; K690-I738 HydrophobicContact CD-CG1 4.06Å; K690-I738 VanDerWaalsContact CE-CG1 3.45Å; K690-I738 HydrophobicContact CG-CD1 3.79Å; K690-I738 HydrophobicContact CG-CG1 3.46Å; K690-I738 VanDerWaalsContact CG-CG1 3.46Å; K690-V744 HydrophobicContact CB-CG2 4.43Å; K690-V744 HydrophobicContact CG-CG2 4.41Å
691A88.6Confident91.9Very high8 Ų825.4 Ų25.47%0.06614%0.143CC..  trans-58.9142-177.500000111.1L654 A688 L689 K693 A696 Q697L654-A691 HydrophobicContact CD2-CB 4.13Å; A688-A691 WeakPolarHBondContact O-CB 3.27Å; A688-A691 PolarHBondContact O-N 2.84Å; A688-A691 VanDerWaalsContact O-N 3.09Å; L689-A691 PolarHBondContact O-N 3.02Å; A691-K693 VanDerWaalsContact C-N 3.27Å; A691-K693 PolarHBondContact O-N 3.34Å; A691-A696 HydrophobicContact CB-CB 3.58Å; A691-Q697 PolarHBondContact O-NE2 3.22Å
692T84Confident92Very high120 Ų12024.9 Ų24.974%0.73614%0.141SC*.SBendtrans-67.9-27.9178.953.80000112.5K690K690-T692 PolarHBondContact O-N 2.86Å
693K87.9Confident92.1Very high55 Ų5524.8 Ų24.824%0.23914%0.14CC..SBendtrans-86.9122.5177.4-69.4-172.3-175.8165.30111.1G648 D651 M652 A691 S695 A696 Q697G648-K693 PolarHBondContact O-NZ 3.27Å; D651-K693 HydrophobicContact CB-CD 3.93Å; M652-K693 VanDerWaalsContact CG-NZ 3.32Å; M652-K693 HydrophobicContact SD-CD 4.18Å; M652-K693 PolarHBondContact SD-NZ 2.97Å; A691-K693 VanDerWaalsContact C-N 3.27Å; A691-K693 PolarHBondContact O-N 3.34Å; K693-S695 PolarHBondContact O-N 2.8Å; K693-S695 VanDerWaalsContact O-N 3.16Å; K693-A696 HydrophobicContact CB-CB 4.45Å; K693-A696 WeakPolarHBondContact O-CB 3.41Å; K693-A696 PolarHBondContact O-N 2.89Å; K693-Q697 PolarHBondContact O-N 3.47Å
694T90.8Very high92.3Very high55 Ų5523.9 Ų23.934%0.33713%0.133SC..Hα-helixtrans-51.3-38.8172-47.40000112.8A696 Q697 V698 D747 I750T694-A696 VanDerWaalsContact C-N 3.25Å; T694-A696 PolarHBondContact O-N 3.3Å; T694-Q697 WeakPolarHBondContact O-CB 3.39Å; T694-Q697 PolarHBondContact O-N 3.12Å; T694-Q697 VanDerWaalsContact O-N 3.12Å; T694-V698 HydrophobicContact CG2-CG2 4.34Å; T694-V698 WeakPolarHBondContact O-CG2 3.49Å; T694-V698 PolarHBondContact O-N 3.28Å; T694-D747 HydrophobicContact CG2-CB 4.29Å; T694-D747 WeakPolarHBondContact CG2-OD2 3.28Å; T694-I750 HydrophobicContact CG2-CD1 3.88Å
695S91Very high92.5Very high40 Ų4021 Ų2128%0.2812%0.117SC..Hα-helixtrans-61.7-31.9179.155.10000113.5V655 K693 A699V655-S695 WeakPolarHBondContact CG2-OG 3.32Å; K693-S695 PolarHBondContact O-N 2.8Å; K693-S695 VanDerWaalsContact O-N 3.16Å; S695-A699 WeakPolarHBondContact O-CB 3.34Å; S695-A699 PolarHBondContact O-N 3.2Å; S695-A699 VanDerWaalsContact O-N 3.15Å
696A91.7Very high92.6Very high1 Ų121 Ų211%0.00812%0.117CC..Hα-helixtrans-73.2-41.7174.900000110.6L654 V655 L658 A691 K693 T694 V698 A699 A700L654-A696 HydrophobicContact CD2-CB 3.91Å; V655-A696 HydrophobicContact CG2-CB 3.74Å; L658-A696 HydrophobicContact CD1-CB 4.43Å; L658-A696 WeakPolarHBondContact CD1-O 3.09Å; A691-A696 HydrophobicContact CB-CB 3.58Å; K693-A696 HydrophobicContact CB-CB 4.45Å; K693-A696 WeakPolarHBondContact O-CB 3.41Å; K693-A696 PolarHBondContact O-N 2.89Å; T694-A696 VanDerWaalsContact C-N 3.25Å; T694-A696 PolarHBondContact O-N 3.3Å; A696-V698 PolarHBondContact O-N 3.21Å; A696-A699 PolarHBondContact O-N 3.44Å; A696-A700 WeakPolarHBondContact O-CB 3.38Å; A696-A700 PolarHBondContact O-N 3.15Å
697Q93.1Very high92.8Very high6 Ų621 Ų213%0.02812%0.117CC..Hα-helixtrans-62.7-40.1175.6-57.1174-15.100112A691 K693 T694 S701 I750A691-Q697 PolarHBondContact O-NE2 3.22Å; K693-Q697 PolarHBondContact O-N 3.47Å; T694-Q697 WeakPolarHBondContact O-CB 3.39Å; T694-Q697 PolarHBondContact O-N 3.12Å; T694-Q697 VanDerWaalsContact O-N 3.12Å; Q697-S701 WeakPolarHBondContact O-CB 3.43Å; Q697-S701 PolarHBondContact O-N 2.98Å; Q697-S701 PolarHBondContact O-OG 3.32Å; Q697-I750 HydrophobicContact CB-CD1 3.56Å; Q697-I750 HydrophobicContact CB-CG1 4.44Å; Q697-I750 VanDerWaalsContact OE1-CD1 3.26Å
698V93.6Very high92.9Very high40 Ų4019.6 Ų19.624%0.24211%0.111CC..Hα-helixtrans-62.9-45174.1172.30000111F540 T694 A696 S701 S702 I750F540-V698 HydrophobicContact CE1-CG1 4.2Å; F540-V698 HydrophobicContact CZ-CG1 4.21Å; T694-V698 HydrophobicContact CG2-CG2 4.34Å; T694-V698 WeakPolarHBondContact O-CG2 3.49Å; T694-V698 PolarHBondContact O-N 3.28Å; A696-V698 PolarHBondContact O-N 3.21Å; V698-S701 WeakPolarHBondContact CA-OG 3.32Å; V698-S701 PolarHBondContact O-OG 2.93Å; V698-S702 WeakPolarHBondContact O-CB 3.2Å; V698-S702 PolarHBondContact O-N 3.16Å; V698-S702 PolarHBondContact O-OG 3.21Å; V698-I750 HydrophobicContact CG2-CD1 3.97Å; V698-I750 HydrophobicContact CG2-CG1 3.75Å
699A94.4Very high93.1Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-67.1-41.5178.600000112.2F540 L658 R659 S662 S695 A696 S702 A703F540-A699 HydrophobicContact CE2-CB 4.43Å; F540-A699 HydrophobicContact CZ-CB 4.19Å; L658-A699 HydrophobicContact CB-CB 3.49Å; L658-A699 VanDerWaalsContact CB-CB 3.49Å; L658-A699 HydrophobicContact CD1-CB 4.29Å; R659-A699 HydrophobicContact CG-CB 3.87Å; S662-A699 PolarHBondContact OG-O 3.27Å; S695-A699 WeakPolarHBondContact O-CB 3.34Å; S695-A699 PolarHBondContact O-N 3.2Å; S695-A699 VanDerWaalsContact O-N 3.15Å; A696-A699 PolarHBondContact O-N 3.44Å; A699-S702 PolarHBondContact O-N 3.33Å; A699-A703 PolarHBondContact O-N 2.73Å
700A95.2Very high93.2Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-61.8-50.6174.900000111.8L658 A688 L689 A696 S702 A703 I704L658-A700 HydrophobicContact CD1-CB 4.02Å; L658-A700 HydrophobicContact CD2-CB 4.34Å; A688-A700 HydrophobicContact CB-CB 4.03Å; L689-A700 HydrophobicContact CD2-CB 3.97Å; L689-A700 HydrophobicContact CG-CB 4.38Å; A696-A700 WeakPolarHBondContact O-CB 3.38Å; A696-A700 PolarHBondContact O-N 3.15Å; A700-S702 PolarHBondContact O-N 3.07Å; A700-A703 PolarHBondContact O-N 3.41Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 3.44Å
701S95.4Very high93.3Very high1 Ų118.8 Ų18.81%0.00711%0.106CC..Hα-helixtrans-62.5-30.5177.356.70000113Q697 V698 A705 R753Q697-S701 WeakPolarHBondContact O-CB 3.43Å; Q697-S701 PolarHBondContact O-N 2.98Å; Q697-S701 PolarHBondContact O-OG 3.32Å; V698-S701 WeakPolarHBondContact CA-OG 3.32Å; V698-S701 PolarHBondContact O-OG 2.93Å; S701-A705 WeakPolarHBondContact O-CB 3.21Å; S701-A705 PolarHBondContact O-N 3.13Å; S701-R753 VanDerWaalsContact C-CD 3.47Å; S701-R753 WeakPolarHBondContact O-CD 3.39Å
702S95.7Very high93.3Very high2 Ų220.3 Ų20.31%0.01412%0.118CC..Hα-helixtrans-69.7-45.1173.9-59.20000112.4F540 V698 A699 A700 I704 A705 N706F540-S702 WeakPolarHBondContact CZ-OG 3.17Å; V698-S702 WeakPolarHBondContact O-CB 3.2Å; V698-S702 PolarHBondContact O-N 3.16Å; V698-S702 PolarHBondContact O-OG 3.21Å; A699-S702 PolarHBondContact O-N 3.33Å; A700-S702 PolarHBondContact O-N 3.07Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.28Å; S702-A705 PolarHBondContact O-N 2.89Å; S702-N706 WeakPolarHBondContact O-CB 3.42Å; S702-N706 VanDerWaalsContact O-CG 3.25Å; S702-N706 PolarHBondContact O-N 3.08Å; S702-N706 PolarHBondContact O-OD1 3.24Å
703A96.2Very high93.4Very high0 Ų017.2 Ų17.20%010%0.102CC..Hα-helixtrans-62.1-41.6174.900000111.6S662 V685 A699 A700 N706 V707S662-A703 PolarHBondContact OG-N 2.99Å; V685-A703 HydrophobicContact CG1-CB 4.06Å; A699-A703 PolarHBondContact O-N 2.73Å; A700-A703 PolarHBondContact O-N 3.41Å; A703-N706 PolarHBondContact O-N 3.41Å; A703-V707 PolarHBondContact O-N 2.81Å
704I96.6Very high93.4Very high2 Ų217 Ų171%0.0110%0.102CC..Hα-helixtrans-61.1-50.5175-66.3163.2000109.9V685 L689 A700 S702 N706 V707 T708 L731 A757V685-I704 HydrophobicContact CG1-CG1 4.18Å; L689-I704 HydrophobicContact CD1-CD1 3.82Å; L689-I704 HydrophobicContact CD2-CD1 4.31Å; L689-I704 HydrophobicContact CG-CD1 4.12Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 3.44Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.28Å; I704-N706 VanDerWaalsContact C-N 3.29Å; I704-N706 PolarHBondContact O-N 2.9Å; I704-V707 WeakPolarHBondContact O-CG1 3.27Å; I704-V707 PolarHBondContact O-N 3.5Å; I704-T708 HydrophobicContact CG2-CG2 4.34Å; I704-T708 VanDerWaalsContact O-CG2 3.3Å; I704-T708 WeakPolarHBondContact O-CG2 3.44Å; I704-T708 PolarHBondContact O-N 3.25Å; I704-T708 PolarHBondContact O-OG1 3.25Å; I704-L731 HydrophobicContact CD1-CD1 4.29Å; I704-L731 HydrophobicContact CG2-CD1 4.38Å; I704-L731 HydrophobicContact CG2-CD2 4.08Å; I704-A757 HydrophobicContact CG2-CB 4.1Å
705A95.4Very high92.4Very high0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-58-41.8177.600000112.3Y538 S701 S702 V707 T708 Y709 R753Y538-A705 HydrophobicContact CD2-CB 3.65Å; Y538-A705 HydrophobicContact CE2-CB 3.54Å; S701-A705 WeakPolarHBondContact O-CB 3.21Å; S701-A705 PolarHBondContact O-N 3.13Å; S702-A705 PolarHBondContact O-N 2.89Å; A705-V707 PolarHBondContact O-N 3.41Å; A705-T708 WeakPolarHBondContact CA-OG1 3.33Å; A705-T708 PolarHBondContact O-N 2.96Å; A705-T708 PolarHBondContact O-OG1 3.31Å; A705-Y709 PolarHBondContact O-N 3.47Å; A705-R753 HydrophobicContact CB-CG 3.93Å
706N96.7Very high91.8Very high0 Ų021 Ų210%012%0.121CC..Hα-helixtrans-61.6-44.5177.6-72.22.3000112.7Y537 Y538 S662 F665 S702 A703 I704 Y709 L710Y537-N706 WeakPolarHBondContact CA-OD1 3.45Å; Y537-N706 HydrophobicContact CD1-CB 3.89Å; Y538-N706 PolarHBondContact N-OD1 3.33Å; Y538-N706 PolarHBondContact O-ND2 3.19Å; S662-N706 PolarHBondContact O-ND2 3.1Å; F665-N706 HydrophobicContact CB-CB 4.2Å; F665-N706 HydrophobicContact CD1-CB 3.88Å; F665-N706 HydrophobicContact CD2-CB 3.59Å; F665-N706 HydrophobicContact CE1-CB 4.09Å; F665-N706 HydrophobicContact CE2-CB 3.82Å; F665-N706 HydrophobicContact CG-CB 3.62Å; F665-N706 HydrophobicContact CZ-CB 4.06Å; S702-N706 WeakPolarHBondContact O-CB 3.42Å; S702-N706 VanDerWaalsContact O-CG 3.25Å; S702-N706 PolarHBondContact O-N 3.08Å; S702-N706 PolarHBondContact O-OD1 3.24Å; A703-N706 PolarHBondContact O-N 3.41Å; I704-N706 VanDerWaalsContact C-N 3.29Å; I704-N706 PolarHBondContact O-N 2.9Å; N706-Y709 PolarHBondContact O-N 3.48Å; N706-L710 WeakPolarHBondContact O-CB 3.34Å; N706-L710 PolarHBondContact O-N 3.35Å
707V96.2Very high91.2Very high0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-68.6-36.6175.963.40000112.1F665 W682 A703 I704 A705 Y709 L710 Y711 L727F665-V707 HydrophobicContact CE1-CB 4.09Å; F665-V707 HydrophobicContact CZ-CB 3.87Å; W682-V707 HydrophobicContact CD2-CG1 4.1Å; W682-V707 HydrophobicContact CD2-CG2 4.31Å; W682-V707 HydrophobicContact CE3-CB 4.42Å; W682-V707 HydrophobicContact CE3-CG1 3.82Å; W682-V707 HydrophobicContact CH2-CB 3.64Å; W682-V707 HydrophobicContact CH2-CG1 3.92Å; W682-V707 HydrophobicContact CH2-CG2 4Å; W682-V707 HydrophobicContact CZ2-CB 3.69Å; W682-V707 HydrophobicContact CZ2-CG1 4.14Å; W682-V707 HydrophobicContact CZ2-CG2 3.47Å; W682-V707 VanDerWaalsContact CZ2-CG2 3.47Å; W682-V707 HydrophobicContact CZ3-CB 4Å; W682-V707 HydrophobicContact CZ3-CG1 3.72Å; A703-V707 PolarHBondContact O-N 2.81Å; I704-V707 WeakPolarHBondContact O-CG1 3.27Å; I704-V707 PolarHBondContact O-N 3.5Å; A705-V707 PolarHBondContact O-N 3.41Å; V707-Y709 VanDerWaalsContact C-N 3.29Å; V707-Y709 PolarHBondContact O-N 3.43Å; V707-L710 PolarHBondContact O-N 3.43Å; V707-Y711 HydrophobicContact CG2-CD1 4.11Å; V707-Y711 HydrophobicContact CG2-CD2 4.07Å; V707-Y711 HydrophobicContact CG2-CE1 3.67Å; V707-Y711 HydrophobicContact CG2-CE2 3.62Å; V707-Y711 HydrophobicContact CG2-CG 4.3Å; V707-Y711 PolarHBondContact O-N 3.19Å; V707-L727 HydrophobicContact CB-CD2 4.41Å; V707-L727 HydrophobicContact CG1-CD2 3.58Å; V707-L727 HydrophobicContact CG2-CD2 4.06Å
708T95.2Very high90.6Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-62.3-40175.8620000111.7I704 A705 A712 L727 A757 L761I704-T708 HydrophobicContact CG2-CG2 4.34Å; I704-T708 VanDerWaalsContact O-CG2 3.3Å; I704-T708 WeakPolarHBondContact O-CG2 3.44Å; I704-T708 PolarHBondContact O-N 3.25Å; I704-T708 PolarHBondContact O-OG1 3.25Å; A705-T708 WeakPolarHBondContact CA-OG1 3.33Å; A705-T708 PolarHBondContact O-N 2.96Å; A705-T708 PolarHBondContact O-OG1 3.31Å; T708-A712 WeakPolarHBondContact O-CB 3.27Å; T708-A712 PolarHBondContact O-N 3.3Å; T708-L727 HydrophobicContact CG2-CD2 3.98Å; T708-A757 HydrophobicContact CG2-CB 3.85Å; T708-L761 HydrophobicContact CG2-CD1 3.66Å; T708-L761 HydrophobicContact CG2-CD2 3.77Å; T708-L761 HydrophobicContact CG2-CG 3.48Å; T708-L761 VanDerWaalsContact CG2-CG 3.48Å
709Y94.1Very high90.2Very high56 Ų5634.4 Ų34.422%0.2219%0.185CC..Hα-helixtrans-66.6-45.6174.1176.2-135.4000111.5T534 R535 Y537 A705 N706 V707 Y711 A712 S713T534-Y709 WeakPolarHBondContact O-CD2 3.4Å; R535-Y709 WeakPolarHBondContact O-CE1 3.48Å; R535-Y709 VanDerWaalsContact O-CZ 3.25Å; R535-Y709 PolarHBondContact O-OH 2.96Å; Y537-Y709 AromaticContact CD1-CD1 3.71Å; Y537-Y709 HydrophobicContact CD1-CD1 3.71Å; Y537-Y709 HydrophobicContact CD1-CE1 4.35Å; Y537-Y709 HydrophobicContact CD2-CD1 4.11Å; Y537-Y709 AromaticContact CD2-CE1 3.91Å; Y537-Y709 HydrophobicContact CD2-CE1 3.91Å; Y537-Y709 AromaticContact CE1-CD1 3.43Å; Y537-Y709 HydrophobicContact CE1-CD1 3.43Å; Y537-Y709 VanDerWaalsContact CE1-CD1 3.43Å; Y537-Y709 HydrophobicContact CE1-CE1 4.02Å; Y537-Y709 HydrophobicContact CE1-CG 4.32Å; Y537-Y709 AromaticContact CE2-CD1 3.83Å; Y537-Y709 HydrophobicContact CE2-CD1 3.83Å; Y537-Y709 AromaticContact CE2-CE1 3.51Å; Y537-Y709 HydrophobicContact CE2-CE1 3.51Å; Y537-Y709 HydrophobicContact CG-CD1 4.06Å; Y537-Y709 HydrophobicContact CG-CE1 4.31Å; Y537-Y709 AromaticContact CZ-CD1 3.48Å; Y537-Y709 VanDerWaalsContact CZ-CD1 3.48Å; Y537-Y709 AromaticContact CZ-CE1 3.58Å; A705-Y709 PolarHBondContact O-N 3.47Å; N706-Y709 PolarHBondContact O-N 3.48Å; V707-Y709 VanDerWaalsContact C-N 3.29Å; V707-Y709 PolarHBondContact O-N 3.43Å; Y709-Y711 VanDerWaalsContact C-N 3.3Å; Y709-Y711 PolarHBondContact O-N 2.81Å; Y709-A712 PolarHBondContact O-N 3.41Å; Y709-A712 VanDerWaalsContact O-N 3.11Å; Y709-S713 WeakPolarHBondContact O-CB 3.43Å; Y709-S713 PolarHBondContact O-N 3Å; Y709-S713 PolarHBondContact O-OG 2.79Å
710L94.5Very high89.9Confident4 Ų434.5 Ų34.52%0.02119%0.185CC..Hα-helixtrans-55-44.8176.7177.263.3000111.9Y537 F665 R671 M674 Y675 N706 V707 S713 Q714Y537-L710 HydrophobicContact CE1-CB 4.38Å; F665-L710 HydrophobicContact CD1-CB 4.28Å; F665-L710 HydrophobicContact CD1-CD2 4.13Å; F665-L710 HydrophobicContact CE1-CB 4.06Å; F665-L710 HydrophobicContact CE1-CD2 3.69Å; R671-L710 HydrophobicContact CB-CD1 3.83Å; R671-L710 HydrophobicContact CB-CD2 4.43Å; R671-L710 HydrophobicContact CG-CD1 4.11Å; M674-L710 HydrophobicContact CB-CD2 4.15Å; Y675-L710 HydrophobicContact CD2-CD2 4.46Å; Y675-L710 HydrophobicContact CD2-CG 4.4Å; N706-L710 WeakPolarHBondContact O-CB 3.34Å; N706-L710 PolarHBondContact O-N 3.35Å; V707-L710 PolarHBondContact O-N 3.43Å; L710-S713 PolarHBondContact O-N 3.33Å; L710-S713 PolarHBondContact O-OG 2.95Å; L710-Q714 WeakPolarHBondContact O-CG 3.26Å; L710-Q714 PolarHBondContact O-NE2 3.21Å
711Y94Very high89.6Confident5 Ų535.7 Ų35.72%0.0219%0.192CC..Hα-helixtrans-70.1-37.9177.8-67.3-10.9000112.3Y675 W682 V707 Y709 S713 Q714 R723 L727Y675-Y711 AromaticContact CD2-CD1 3.68Å; Y675-Y711 HydrophobicContact CD2-CD1 3.68Å; Y675-Y711 AromaticContact CD2-CE1 3.66Å; Y675-Y711 HydrophobicContact CD2-CE1 3.66Å; Y675-Y711 AromaticContact CE2-CD1 3.75Å; Y675-Y711 HydrophobicContact CE2-CD1 3.75Å; Y675-Y711 AromaticContact CE2-CE1 3.98Å; Y675-Y711 HydrophobicContact CE2-CE1 3.98Å; W682-Y711 PolarHBondContact NE1-OH 2.82Å; V707-Y711 HydrophobicContact CG2-CD1 4.11Å; V707-Y711 HydrophobicContact CG2-CD2 4.07Å; V707-Y711 HydrophobicContact CG2-CE1 3.67Å; V707-Y711 HydrophobicContact CG2-CE2 3.62Å; V707-Y711 HydrophobicContact CG2-CG 4.3Å; V707-Y711 PolarHBondContact O-N 3.19Å; Y709-Y711 VanDerWaalsContact C-N 3.3Å; Y709-Y711 PolarHBondContact O-N 2.81Å; Y711-S713 VanDerWaalsContact C-N 3.27Å; Y711-S713 PolarHBondContact O-N 2.9Å; Y711-Q714 PolarHBondContact O-N 3.38Å; Y711-R723 HydrophobicContact CD1-CB 4.39Å; Y711-R723 HydrophobicContact CD2-CB 4.02Å; Y711-R723 HydrophobicContact CE1-CB 4.21Å; Y711-R723 HydrophobicContact CE2-CB 3.82Å; Y711-R723 HydrophobicContact CG-CB 4.31Å; Y711-L727 HydrophobicContact CD2-CB 4.42Å; Y711-L727 HydrophobicContact CD2-CD2 3.82Å; Y711-L727 HydrophobicContact CE2-CB 3.98Å; Y711-L727 HydrophobicContact CE2-CD2 3.65Å; Y711-L727 HydrophobicContact CE2-CG 4.43Å
712A88.2Confident89.5Confident39 Ų3938.9 Ų38.932%0.32221%0.209SC..Hα-helixtrans-67.5-26.7176.200000113T708 Y709 T760T708-A712 WeakPolarHBondContact O-CB 3.27Å; T708-A712 PolarHBondContact O-N 3.3Å; Y709-A712 PolarHBondContact O-N 3.41Å; Y709-A712 VanDerWaalsContact O-N 3.11Å; A712-T760 HydrophobicContact CB-CG2 3.85Å
713S86.7Confident89.4Confident55 Ų5540.8 Ų40.839%0.38522%0.216SC..THydrogen-bonded Turntrans-86.7-1.6-179.964.30000115.1Y709 L710 Y711Y709-S713 WeakPolarHBondContact O-CB 3.43Å; Y709-S713 PolarHBondContact O-N 3Å; Y709-S713 PolarHBondContact O-OG 2.79Å; L710-S713 PolarHBondContact O-N 3.33Å; L710-S713 PolarHBondContact O-OG 2.95Å; Y711-S713 VanDerWaalsContact C-N 3.27Å; Y711-S713 PolarHBondContact O-N 2.9Å
714Q86.2Confident89.3Confident51 Ų5141.4 Ų41.424%0.23822%0.219CC..  trans-73.7143.8-175.9-67-52.8-4500113.4Y675 L710 Y711 A720Y675-Q714 HydrophobicContact CD2-CG 4.06Å; Y675-Q714 HydrophobicContact CE2-CG 3.39Å; L710-Q714 WeakPolarHBondContact O-CG 3.26Å; L710-Q714 PolarHBondContact O-NE2 3.21Å; Y711-Q714 PolarHBondContact O-N 3.38Å; Q714-A720 HydrophobicContact CB-CB 3.74Å; Q714-A720 HydrophobicContact CG-CB 4.32Å
715V70.6Confident89.2Confident93 Ų9342.6 Ų42.656%0.56423%0.226SC*.SBendtrans-76.5-35.9178.4-173.50000111.8H717V715-H717 PolarHBondContact O-N 3.23Å; V715-H717 VanDerWaalsContact O-N 3.11Å
716N78.7Confident89.2Confident85 Ų8547.8 Ų47.846%0.45525%0.246SC..  trans-8289.6179.2-175.1-1.1000110.5L718 E719 A720N716-L718 VanDerWaalsContact C-N 3.29Å; N716-L718 PolarHBondContact O-N 3.46Å; N716-L718 PolarHBondContact OD1-N 3.17Å; N716-E719 HydrophobicContact CB-CB 4.49Å; N716-E719 PolarHBondContact O-N 3.29Å; N716-A720 WeakPolarHBondContact O-CB 3.49Å; N716-A720 PolarHBondContact O-N 3.24Å
717H77.9Confident89.2Confident111 Ų11147.9 Ų47.951%0.51425%0.246SC..Hα-helixtrans-54.1-40.8-177.4-70.9-67.6000113.2V715 A720 T721V715-H717 PolarHBondContact O-N 3.23Å; V715-H717 VanDerWaalsContact O-N 3.11Å; H717-A720 PolarHBondContact O-N 3.42Å; H717-T721 VanDerWaalsContact O-CB 3.27Å; H717-T721 WeakPolarHBondContact O-CB 3.42Å; H717-T721 PolarHBondContact O-N 3.3Å; H717-T721 PolarHBondContact O-OG1 3.26Å
718L80.5Confident89.2Confident148 Ų14847.9 Ų47.978%0.77525%0.246SC*.Hα-helixtrans-65.9-48.3-175.8-170.872.5000112.5N716 D722N716-L718 VanDerWaalsContact C-N 3.29Å; N716-L718 PolarHBondContact O-N 3.46Å; N716-L718 PolarHBondContact OD1-N 3.17Å; L718-D722 PolarHBondContact O-N 3.47Å; L718-D722 VanDerWaalsContact O-N 3.17Å
719E85.7Confident89.2Confident71 Ų7148.2 Ų48.233%0.33225%0.25SC..Hα-helixtrans-69-38.4177.7-170.5-177170.400111.2Y675 N716 D722 R723Y675-E719 WeakPolarHBondContact CE1-OE1 3.43Å; Y675-E719 WeakPolarHBondContact OH-CG 3.46Å; N716-E719 HydrophobicContact CB-CB 4.49Å; N716-E719 PolarHBondContact O-N 3.29Å; E719-D722 PolarHBondContact O-N 3.24Å; E719-R723 WeakPolarHBondContact O-CG 3.38Å; E719-R723 PolarHBondContact O-N 3.26Å; E719-R723 IonicContact OE1-CZ 3.78Å; E719-R723 IonicContact OE1-NE 3.15Å; E719-R723 PolarHBondContact OE1-NE 3.5Å; E719-R723 IonicContact OE1-NH2 2.84Å; E719-R723 PolarHBondContact OE1-NH2 3.28Å
720A88.2Confident89.3Confident2 Ų246.3 Ų46.32%0.01724%0.244CC..Hα-helixtrans-61.5-45.4175.600000111.8Q714 N716 H717 R723 K724Q714-A720 HydrophobicContact CB-CB 3.74Å; Q714-A720 HydrophobicContact CG-CB 4.32Å; N716-A720 WeakPolarHBondContact O-CB 3.49Å; N716-A720 PolarHBondContact O-N 3.24Å; H717-A720 PolarHBondContact O-N 3.42Å; A720-R723 PolarHBondContact O-N 2.84Å; A720-K724 WeakPolarHBondContact O-CB 3.5Å; A720-K724 WeakPolarHBondContact O-CG 3.36Å; A720-K724 PolarHBondContact O-N 2.95Å
721T89.5Confident89.3Confident24 Ų2446.1 Ų46.115%0.14724%0.243CC..Hα-helixtrans-61.6-45.2177.7-65.30000111.3H717 R723 K724 V725 D765 D767 V768H717-T721 VanDerWaalsContact O-CB 3.27Å; H717-T721 WeakPolarHBondContact O-CB 3.42Å; H717-T721 PolarHBondContact O-N 3.3Å; H717-T721 PolarHBondContact O-OG1 3.26Å; T721-R723 PolarHBondContact O-N 3.02Å; T721-K724 PolarHBondContact O-N 2.84Å; T721-V725 WeakPolarHBondContact O-CB 3.34Å; T721-V725 WeakPolarHBondContact O-CG2 3.46Å; T721-V725 PolarHBondContact O-N 3.4Å; T721-D765 PolarHBondContact OG1-OD2 3.43Å; T721-D767 HydrophobicContact CG2-CB 4.01Å; T721-V768 HydrophobicContact CG2-CG2 4.15Å
722D92.2Very high89.4Confident68 Ų6846 Ų4636%0.36424%0.243SC..Hα-helixtrans-58-46.6174.817657000111.8L718 E719 V725 R726L718-D722 PolarHBondContact O-N 3.47Å; L718-D722 VanDerWaalsContact O-N 3.17Å; E719-D722 PolarHBondContact O-N 3.24Å; D722-V725 PolarHBondContact O-N 3.3Å; D722-R726 WeakPolarHBondContact O-CG 3.39Å; D722-R726 PolarHBondContact O-N 2.98Å; D722-R726 IonicContact OD1-CZ 3.54Å; D722-R726 IonicContact OD1-NE 3.36Å; D722-R726 PolarHBondContact OD1-NE 3.41Å; D722-R726 VanDerWaalsContact OD1-NE 3.12Å; D722-R726 IonicContact OD1-NH2 3.85Å; D722-R726 PolarHBondContact OD1-NH2 3.41Å; D722-R726 IonicContact OD2-CZ 3.41Å; D722-R726 IonicContact OD2-NE 2.74Å; D722-R726 PolarHBondContact OD2-NE 2.89Å; D722-R726 VanDerWaalsContact OD2-NE 3.08Å; D722-R726 IonicContact OD2-NH2 3.12Å; D722-R726 PolarHBondContact OD2-NH2 3.26Å
723R93.8Very high89.7Confident43 Ų4350.2 Ų50.216%0.16226%0.256CS..Hα-helixtrans-65.5-40177.5-69.4179.9-174.6-76.4-2.3112.8Y675 Y711 E719 A720 T721 R726 L727Y675-R723 VanDerWaalsContact CE2-CD 3.44Å; Y675-R723 VanDerWaalsContact CZ-CD 3.47Å; Y675-R723 PolarHBondContact O-NE 3.23Å; Y675-R723 PolarHBondContact O-NH1 2.95Å; Y711-R723 HydrophobicContact CD1-CB 4.39Å; Y711-R723 HydrophobicContact CD2-CB 4.02Å; Y711-R723 HydrophobicContact CE1-CB 4.21Å; Y711-R723 HydrophobicContact CE2-CB 3.82Å; Y711-R723 HydrophobicContact CG-CB 4.31Å; E719-R723 WeakPolarHBondContact O-CG 3.38Å; E719-R723 PolarHBondContact O-N 3.26Å; E719-R723 IonicContact OE1-CZ 3.78Å; E719-R723 IonicContact OE1-NE 3.15Å; E719-R723 PolarHBondContact OE1-NE 3.5Å; E719-R723 IonicContact OE1-NH2 2.84Å; E719-R723 PolarHBondContact OE1-NH2 3.28Å; A720-R723 PolarHBondContact O-N 2.84Å; T721-R723 PolarHBondContact O-N 3.02Å; R723-R726 PolarHBondContact O-N 3.38Å; R723-L727 WeakPolarHBondContact O-CB 3.36Å; R723-L727 PolarHBondContact O-N 2.86Å
724K94.4Very high90.1Very high13 Ų1349.7 Ų49.76%0.05725%0.246CC..Hα-helixtrans-60.2-46.7174.3-74171.8-179.6-1750111.1A720 T721 L727 L728 L761 D765 V768A720-K724 WeakPolarHBondContact O-CB 3.5Å; A720-K724 WeakPolarHBondContact O-CG 3.36Å; A720-K724 PolarHBondContact O-N 2.95Å; T721-K724 PolarHBondContact O-N 2.84Å; K724-L727 PolarHBondContact O-N 3.45Å; K724-L728 WeakPolarHBondContact O-CB 3.1Å; K724-L728 PolarHBondContact O-N 3.01Å; K724-L761 HydrophobicContact CB-CD2 4.03Å; K724-L761 HydrophobicContact CG-CD2 3.88Å; K724-D765 IonicContact NZ-OD2 3.9Å; K724-D765 PolarHBondContact NZ-OD2 3.41Å; K724-V768 HydrophobicContact CB-CG1 4.5Å; K724-V768 HydrophobicContact CB-CG2 3.68Å; K724-V768 HydrophobicContact CD-CG2 4.02Å
725V94.9Very high90.4Very high27 Ų2747.2 Ų47.216%0.16424%0.235CC..Hα-helixtrans-58.5-49.4177.8163.40000110.8T721 D722 L728 G729 V768 Y771T721-V725 WeakPolarHBondContact O-CB 3.34Å; T721-V725 WeakPolarHBondContact O-CG2 3.46Å; T721-V725 PolarHBondContact O-N 3.4Å; D722-V725 PolarHBondContact O-N 3.3Å; V725-L728 PolarHBondContact O-N 3.18Å; V725-G729 PolarHBondContact O-N 3.14Å; V725-V768 HydrophobicContact CG2-CG2 3.94Å; V725-Y771 HydrophobicContact CB-CD1 4.39Å; V725-Y771 HydrophobicContact CG1-CD1 3.73Å; V725-Y771 HydrophobicContact CG1-CD2 3.76Å; V725-Y771 HydrophobicContact CG1-CE1 3.7Å; V725-Y771 HydrophobicContact CG1-CE2 3.73Å; V725-Y771 HydrophobicContact CG1-CG 3.72Å; V725-Y771 HydrophobicContact CG2-CG 4.34Å; V725-Y771 VanDerWaalsContact O-CE1 3.24Å; V725-Y771 WeakPolarHBondContact O-CE1 3.41Å
726R94.8Very high91.5Very high109 Ų10944.2 Ų44.241%0.41122%0.217SC..Hα-helixtrans-61.8-47.3179.3-67.7177.9-164.3-159.611.6112.4E679 D722 R723 G729 V730E679-R726 HydrophobicContact CB-CB 4.37Å; E679-R726 IonicContact OE2-NH1 2.78Å; E679-R726 PolarHBondContact OE2-NH1 3.22Å; D722-R726 WeakPolarHBondContact O-CG 3.39Å; D722-R726 PolarHBondContact O-N 2.98Å; D722-R726 IonicContact OD1-CZ 3.54Å; D722-R726 IonicContact OD1-NE 3.36Å; D722-R726 PolarHBondContact OD1-NE 3.41Å; D722-R726 VanDerWaalsContact OD1-NE 3.12Å; D722-R726 IonicContact OD1-NH2 3.85Å; D722-R726 PolarHBondContact OD1-NH2 3.41Å; D722-R726 IonicContact OD2-CZ 3.41Å; D722-R726 IonicContact OD2-NE 2.74Å; D722-R726 PolarHBondContact OD2-NE 2.89Å; D722-R726 VanDerWaalsContact OD2-NE 3.08Å; D722-R726 IonicContact OD2-NH2 3.12Å; D722-R726 PolarHBondContact OD2-NH2 3.26Å; R723-R726 PolarHBondContact O-N 3.38Å; R726-G729 PolarHBondContact O-N 3.26Å; R726-V730 WeakPolarHBondContact O-CG2 3.4Å; R726-V730 PolarHBondContact O-N 2.93Å; R726-V730 VanDerWaalsContact O-N 3.15Å
727L96.2Very high92.1Very high2 Ų241.5 Ų41.51%0.0121%0.209CC..Hα-helixtrans-65-41.4178.7177.960.7000111.9W682 V707 T708 Y711 R723 K724 V730 L731 L761W682-L727 HydrophobicContact CB-CD1 3.69Å; W682-L727 HydrophobicContact CD2-CD1 4.44Å; W682-L727 HydrophobicContact CG-CD1 3.89Å; V707-L727 HydrophobicContact CB-CD2 4.41Å; V707-L727 HydrophobicContact CG1-CD2 3.58Å; V707-L727 HydrophobicContact CG2-CD2 4.06Å; T708-L727 HydrophobicContact CG2-CD2 3.98Å; Y711-L727 HydrophobicContact CD2-CB 4.42Å; Y711-L727 HydrophobicContact CD2-CD2 3.82Å; Y711-L727 HydrophobicContact CE2-CB 3.98Å; Y711-L727 HydrophobicContact CE2-CD2 3.65Å; Y711-L727 HydrophobicContact CE2-CG 4.43Å; R723-L727 WeakPolarHBondContact O-CB 3.36Å; R723-L727 PolarHBondContact O-N 2.86Å; K724-L727 PolarHBondContact O-N 3.45Å; L727-V730 PolarHBondContact O-N 3.43Å; L727-L731 WeakPolarHBondContact O-CB 3.42Å; L727-L731 PolarHBondContact O-N 2.89Å; L727-L761 HydrophobicContact CD2-CD1 4.46Å; L727-L761 HydrophobicContact CD2-CD2 4.14Å; L727-L761 HydrophobicContact CG-CD1 4.35Å
728L96.3Very high92.8Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-60-46175.9-179.969.9000111K724 V725 V730 L731 V732 L758 L761 V768 Y771 A772K724-L728 WeakPolarHBondContact O-CB 3.1Å; K724-L728 PolarHBondContact O-N 3.01Å; V725-L728 PolarHBondContact O-N 3.18Å; L728-V730 PolarHBondContact O-N 2.89Å; L728-L731 PolarHBondContact O-N 3.06Å; L728-V732 HydrophobicContact CD1-CG2 4.08Å; L728-V732 HydrophobicContact CG-CG2 4.33Å; L728-V732 WeakPolarHBondContact O-CB 3.48Å; L728-V732 VanDerWaalsContact O-CG2 3.27Å; L728-V732 WeakPolarHBondContact O-CG2 3.34Å; L728-V732 PolarHBondContact O-N 3.28Å; L728-L758 HydrophobicContact CD1-CD2 3.79Å; L728-L761 HydrophobicContact CB-CD1 4.12Å; L728-L761 HydrophobicContact CD1-CD1 4.13Å; L728-V768 HydrophobicContact CD2-CG1 3.62Å; L728-Y771 HydrophobicContact CD2-CD1 4.08Å; L728-A772 HydrophobicContact CD2-CB 3.6Å
729G96.1Very high93.2Very high7 Ų731 Ų317%0.07216%0.155CC..Hα-helixtrans-57.1-49.3177.600000112.1V725 R726 L731 V732 E733V725-G729 PolarHBondContact O-N 3.14Å; R726-G729 PolarHBondContact O-N 3.26Å; G729-L731 PolarHBondContact O-N 3.36Å; G729-V732 PolarHBondContact O-N 2.95Å; G729-E733 WeakPolarHBondContact O-CB 3.36Å; G729-E733 PolarHBondContact O-N 3.18Å
730V95.5Very high93.5Very high15 Ų1533.9 Ų33.99%0.09117%0.169CC..Hα-helixtrans-59.9-46.9176.4170.60000111.8E679 A683 C686 R726 L727 L728 E733 K734E679-V730 HydrophobicContact CB-CG2 3.92Å; A683-V730 VanDerWaalsContact CA-CG1 3.41Å; A683-V730 HydrophobicContact CB-CG1 3.66Å; C686-V730 HydrophobicContact CB-CG1 4.36Å; R726-V730 WeakPolarHBondContact O-CG2 3.4Å; R726-V730 PolarHBondContact O-N 2.93Å; R726-V730 VanDerWaalsContact O-N 3.15Å; L727-V730 PolarHBondContact O-N 3.43Å; L728-V730 PolarHBondContact O-N 2.89Å; V730-E733 PolarHBondContact O-N 3.49Å; V730-K734 HydrophobicContact CG1-CG 4.43Å; V730-K734 WeakPolarHBondContact O-CB 3.33Å; V730-K734 VanDerWaalsContact O-CG 3.28Å; V730-K734 WeakPolarHBondContact O-CG 3.41Å; V730-K734 PolarHBondContact O-N 3.47Å
731L95.7Very high93.5Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..Hα-helixtrans-64.1-43.8-177.7-178.258.4000111.4L689 I704 L727 L728 G729 K734 L735 L758L689-L731 HydrophobicContact CD1-CD1 4.29Å; I704-L731 HydrophobicContact CD1-CD1 4.29Å; I704-L731 HydrophobicContact CG2-CD1 4.38Å; I704-L731 HydrophobicContact CG2-CD2 4.08Å; L727-L731 WeakPolarHBondContact O-CB 3.42Å; L727-L731 PolarHBondContact O-N 2.89Å; L728-L731 PolarHBondContact O-N 3.06Å; G729-L731 PolarHBondContact O-N 3.36Å; L731-K734 PolarHBondContact O-N 3Å; L731-L735 HydrophobicContact CD1-CD1 3.9Å; L731-L735 HydrophobicContact CD1-CG 4.09Å; L731-L735 HydrophobicContact CG-CD1 3.88Å; L731-L735 HydrophobicContact CG-CG 4.47Å; L731-L735 WeakPolarHBondContact O-CB 3.37Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.26Å; L731-L735 PolarHBondContact O-N 3.43Å; L731-L758 HydrophobicContact CD2-CD2 3.73Å; L731-L758 HydrophobicContact CD2-CG 4.15Å; L731-L758 HydrophobicContact CG-CD2 4.24Å
732V95.4Very high93.2Very high2 Ų238.3 Ų38.31%0.01221%0.214CC..Hα-helixtrans-65-44.6178.1172.70000111.4L728 G729 K734 L735 T736 L758 M775 L777 V780L728-V732 HydrophobicContact CD1-CG2 4.08Å; L728-V732 HydrophobicContact CG-CG2 4.33Å; L728-V732 WeakPolarHBondContact O-CB 3.48Å; L728-V732 VanDerWaalsContact O-CG2 3.27Å; L728-V732 WeakPolarHBondContact O-CG2 3.34Å; L728-V732 PolarHBondContact O-N 3.28Å; G729-V732 PolarHBondContact O-N 2.95Å; V732-K734 PolarHBondContact O-N 3.3Å; V732-L735 PolarHBondContact O-N 2.85Å; V732-T736 VanDerWaalsContact O-CB 3.31Å; V732-T736 WeakPolarHBondContact O-CB 3.44Å; V732-T736 PolarHBondContact O-N 3.22Å; V732-T736 PolarHBondContact O-OG1 2.95Å; V732-L758 HydrophobicContact CG2-CD2 4.41Å; V732-M775 HydrophobicContact CG1-CB 4.14Å; V732-M775 WeakPolarHBondContact CG1-O 3.47Å; V732-L777 HydrophobicContact CG2-CD1 3.71Å; V732-V780 HydrophobicContact CG1-CG2 4.06Å
733E94.9Very high92.5Very high128 Ų12842 Ų4260%0.59823%0.234SC*.Hα-helixtrans-57.7-49.5175.7-174.2-164.4143.500111.2G729 V730 T736 G737G729-E733 WeakPolarHBondContact O-CB 3.36Å; G729-E733 PolarHBondContact O-N 3.18Å; V730-E733 PolarHBondContact O-N 3.49Å; E733-T736 PolarHBondContact O-N 3.17Å; E733-G737 PolarHBondContact O-N 3.18Å; E733-G737 VanDerWaalsContact O-N 3.08Å
734K93.6Very high91.8Very high43 Ų4341.7 Ų41.719%0.18724%0.237CC..Hα-helixtrans-66.3-44.3-178.4-66.5-58.6-176.7179.70112.3C686 E687 V730 L731 V732 T736 G737 I738C686-K734 HydrophobicContact CB-CB 4.08Å; C686-K734 HydrophobicContact CB-CG 3.83Å; E687-K734 VanDerWaalsContact OE2-CD 3.29Å; E687-K734 WeakPolarHBondContact OE2-CD 3.48Å; E687-K734 VanDerWaalsContact OE2-CE 3.26Å; E687-K734 WeakPolarHBondContact OE2-CE 3.37Å; E687-K734 IonicContact OE2-NZ 3.9Å; E687-K734 PolarHBondContact OE2-NZ 2.94Å; V730-K734 HydrophobicContact CG1-CG 4.43Å; V730-K734 WeakPolarHBondContact O-CB 3.33Å; V730-K734 VanDerWaalsContact O-CG 3.28Å; V730-K734 WeakPolarHBondContact O-CG 3.41Å; V730-K734 PolarHBondContact O-N 3.47Å; L731-K734 PolarHBondContact O-N 3Å; V732-K734 PolarHBondContact O-N 3.3Å; K734-T736 VanDerWaalsContact C-N 3.32Å; K734-T736 PolarHBondContact O-N 2.8Å; K734-G737 PolarHBondContact O-N 3.1Å; K734-I738 WeakPolarHBondContact O-CG1 3.41Å; K734-I738 PolarHBondContact O-N 3.26Å
735L93.7Very high91.3Very high0 Ų048 Ų480%027%0.271CS..Hα-helixtrans-62.2-40.7176.3-72.7171.8000111.8L689 L731 V732 I738 F739 I754 L758 V780L689-L735 HydrophobicContact CD1-CD2 4.19Å; L731-L735 HydrophobicContact CD1-CD1 3.9Å; L731-L735 HydrophobicContact CD1-CG 4.09Å; L731-L735 HydrophobicContact CG-CD1 3.88Å; L731-L735 HydrophobicContact CG-CG 4.47Å; L731-L735 WeakPolarHBondContact O-CB 3.37Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.26Å; L731-L735 PolarHBondContact O-N 3.43Å; V732-L735 PolarHBondContact O-N 2.85Å; L735-I738 WeakPolarHBondContact O-CB 3.48Å; L735-I738 PolarHBondContact O-N 2.93Å; L735-F739 HydrophobicContact CB-CD2 4.39Å; L735-F739 HydrophobicContact CB-CE2 4.1Å; L735-F739 HydrophobicContact CD2-CE2 4.34Å; L735-F739 WeakPolarHBondContact O-CD2 3.42Å; L735-F739 WeakPolarHBondContact O-CG 3.44Å; L735-F739 PolarHBondContact O-N 3.03Å; L735-I754 HydrophobicContact CD1-CG2 3.66Å; L735-I754 HydrophobicContact CD2-CD1 4.17Å; L735-I754 HydrophobicContact CD2-CG2 4.16Å; L735-L758 HydrophobicContact CD1-CD1 4.32Å; L735-V780 HydrophobicContact CB-CG1 4.05Å; L735-V780 HydrophobicContact CB-CG2 4.25Å; L735-V780 HydrophobicContact CD1-CG1 3.88Å
736T93.5Very high90.8Very high30 Ų3047.3 Ų47.318%0.18427%0.266CS..Hα-helixtrans-58.1-51.7176.2-59.70000110.5V732 E733 K734 I738 F739 E740 Y779 V780V732-T736 VanDerWaalsContact O-CB 3.31Å; V732-T736 WeakPolarHBondContact O-CB 3.44Å; V732-T736 PolarHBondContact O-N 3.22Å; V732-T736 PolarHBondContact O-OG1 2.95Å; E733-T736 PolarHBondContact O-N 3.17Å; K734-T736 VanDerWaalsContact C-N 3.32Å; K734-T736 PolarHBondContact O-N 2.8Å; T736-I738 VanDerWaalsContact C-N 3.28Å; T736-I738 PolarHBondContact O-N 3.4Å; T736-F739 PolarHBondContact O-N 3.47Å; T736-E740 HydrophobicContact CG2-CG 4.41Å; T736-E740 WeakPolarHBondContact O-CG 3.05Å; T736-E740 PolarHBondContact O-N 2.91Å; T736-Y779 HydrophobicContact CG2-CD1 3.96Å; T736-Y779 HydrophobicContact CG2-CE1 3.84Å; T736-V780 WeakPolarHBondContact OG1-CG2 3.39Å
737G91.9Very high90.4Very high27 Ų2746.1 Ų46.128%0.27827%0.268SS..Hα-helixtrans-62.4-31.7177.400000114.1E733 K734 A741E733-G737 PolarHBondContact O-N 3.18Å; E733-G737 VanDerWaalsContact O-N 3.08Å; K734-G737 PolarHBondContact O-N 3.1Å; G737-A741 WeakPolarHBondContact O-CB 3.43Å; G737-A741 PolarHBondContact O-N 2.96Å
738I91.1Very high89.8Confident3 Ų348 Ų482%0.01528%0.283CS..Hα-helixtrans-66.3-47.8174.1-68.1169.6000110.9L689 K690 K734 L735 T736 A741 G742 V744 F746L689-I738 HydrophobicContact CB-CD1 3.78Å; K690-I738 HydrophobicContact CD-CG1 4.06Å; K690-I738 VanDerWaalsContact CE-CG1 3.45Å; K690-I738 HydrophobicContact CG-CD1 3.79Å; K690-I738 HydrophobicContact CG-CG1 3.46Å; K690-I738 VanDerWaalsContact CG-CG1 3.46Å; K734-I738 WeakPolarHBondContact O-CG1 3.41Å; K734-I738 PolarHBondContact O-N 3.26Å; L735-I738 WeakPolarHBondContact O-CB 3.48Å; L735-I738 PolarHBondContact O-N 2.93Å; T736-I738 VanDerWaalsContact C-N 3.28Å; T736-I738 PolarHBondContact O-N 3.4Å; I738-A741 PolarHBondContact O-N 3.35Å; I738-G742 PolarHBondContact O-N 3.32Å; I738-V744 HydrophobicContact CG2-CB 3.81Å; I738-V744 HydrophobicContact CG2-CG1 4.33Å; I738-V744 HydrophobicContact CG2-CG2 4.05Å; I738-F746 HydrophobicContact CD1-CZ 4.14Å; I738-F746 HydrophobicContact CG2-CE2 3.71Å; I738-F746 HydrophobicContact CG2-CZ 3.86Å
739F90.8Very high89.3Confident35 Ų3550.6 Ų50.615%0.15431%0.305CS..Hα-helixtrans-71.8-30.2-178-67-50.2000113.3L735 T736 F746 V780 K783 L784L735-F739 HydrophobicContact CB-CD2 4.39Å; L735-F739 HydrophobicContact CB-CE2 4.1Å; L735-F739 HydrophobicContact CD2-CE2 4.34Å; L735-F739 WeakPolarHBondContact O-CD2 3.42Å; L735-F739 WeakPolarHBondContact O-CG 3.44Å; L735-F739 PolarHBondContact O-N 3.03Å; T736-F739 PolarHBondContact O-N 3.47Å; F739-F746 HydrophobicContact CE1-CD2 4.11Å; F739-F746 HydrophobicContact CE1-CE2 4.02Å; F739-F746 HydrophobicContact CZ-CD2 4.47Å; F739-F746 HydrophobicContact CZ-CE2 4.23Å; F739-V780 HydrophobicContact CE2-CG1 4.17Å; F739-K783 HydrophobicContact CB-CB 4.03Å; F739-K783 HydrophobicContact CB-CD 4.36Å; F739-K783 HydrophobicContact CB-CG 3.84Å; F739-K783 HydrophobicContact CD1-CB 3.96Å; F739-K783 HydrophobicContact CD2-CB 3.61Å; F739-K783 HydrophobicContact CD2-CG 4.17Å; F739-K783 HydrophobicContact CE1-CB 4.34Å; F739-K783 HydrophobicContact CE2-CB 4.02Å; F739-K783 HydrophobicContact CG-CB 3.6Å; F739-K783 HydrophobicContact CG-CG 3.99Å; F739-K783 HydrophobicContact CZ-CB 4.38Å; F739-L784 HydrophobicContact CE2-CD2 4.22Å; F739-L784 HydrophobicContact CE2-CG 4.28Å; F739-L784 HydrophobicContact CZ-CD2 3.7Å; F739-L784 HydrophobicContact CZ-CG 4.17Å
740E90.9Very high89Confident132 Ų13250.3 Ų50.362%0.61730%0.302SS*.Hα-helixtrans-70.1-37.8173.8-73.8-179.7164.400112.7T736 G742 Y779T736-E740 HydrophobicContact CG2-CG 4.41Å; T736-E740 WeakPolarHBondContact O-CG 3.05Å; T736-E740 PolarHBondContact O-N 2.91Å; E740-G742 VanDerWaalsContact C-N 3.34Å; E740-Y779 HydrophobicContact CG-CE1 4.43Å; E740-Y779 WeakPolarHBondContact CG-OH 3.35Å
741A88.9Confident88.7Confident58 Ų5849.9 Ų49.948%0.47930%0.299SS..Hα-helixtrans-67.3-35.4177.200000112.2G737 I738 D743G737-A741 WeakPolarHBondContact O-CB 3.43Å; G737-A741 PolarHBondContact O-N 2.96Å; I738-A741 PolarHBondContact O-N 3.35Å; A741-D743 PolarHBondContact O-N 3.11Å
742G82.2Confident88.3Confident62 Ų6251.9 Ų51.964%0.63931%0.309SS*.  trans73.15.4177.500000115.2I738 E740I738-G742 PolarHBondContact O-N 3.32Å; E740-G742 VanDerWaalsContact C-N 3.34Å
743D78.1Confident88.1Confident146 Ų14653.6 Ų53.678%0.78132%0.316SS*.  trans-91.5-8.6-172.5-67-35.2000114.4A741A741-D743 PolarHBondContact O-N 3.11Å
744V79.4Confident88Confident36 Ų3647.6 Ų47.622%0.21829%0.288CS..  trans-114.4119.9-173.8-175.40000110K690 I738 F746K690-V744 HydrophobicContact CB-CG2 4.43Å; K690-V744 HydrophobicContact CG-CG2 4.41Å; I738-V744 HydrophobicContact CG2-CB 3.81Å; I738-V744 HydrophobicContact CG2-CG1 4.33Å; I738-V744 HydrophobicContact CG2-CG2 4.05Å; V744-F746 HydrophobicContact CG1-CD1 4.32Å; V744-F746 HydrophobicContact CG1-CE1 4Å; V744-F746 HydrophobicContact CG1-CE2 4.38Å; V744-F746 HydrophobicContact CG1-CZ 4.04Å
745N82.8Confident87.9Confident144 Ų14445.7 Ų45.777%0.7728%0.279SS*.PPolyproline II helixtrans-98.9121.6171.9-165.26.2000109.6
746F85.8Confident87.7Confident14 Ų1446.6 Ų46.66%0.06128%0.284CS..PPolyproline II helixtrans-95.4134.5179.1-70.6-64.9000111.3L689 I738 F739 V744 I750 L751 I754L689-F746 HydrophobicContact CB-CE1 4.19Å; L689-F746 HydrophobicContact CB-CZ 4.23Å; L689-F746 WeakPolarHBondContact O-CE1 3.46Å; I738-F746 HydrophobicContact CD1-CZ 4.14Å; I738-F746 HydrophobicContact CG2-CE2 3.71Å; I738-F746 HydrophobicContact CG2-CZ 3.86Å; F739-F746 HydrophobicContact CE1-CD2 4.11Å; F739-F746 HydrophobicContact CE1-CE2 4.02Å; F739-F746 HydrophobicContact CZ-CD2 4.47Å; F739-F746 HydrophobicContact CZ-CE2 4.23Å; V744-F746 HydrophobicContact CG1-CD1 4.32Å; V744-F746 HydrophobicContact CG1-CE1 4Å; V744-F746 HydrophobicContact CG1-CE2 4.38Å; V744-F746 HydrophobicContact CG1-CZ 4.04Å; F746-I750 HydrophobicContact CD1-CB 4.44Å; F746-I750 HydrophobicContact CD1-CG2 3.71Å; F746-I750 HydrophobicContact CE1-CG2 4.24Å; F746-I750 HydrophobicContact CG-CG2 4.42Å; F746-L751 HydrophobicContact CB-CD1 4.32Å; F746-L751 HydrophobicContact CB-CD2 3.69Å; F746-L751 HydrophobicContact CB-CG 3.69Å; F746-L751 HydrophobicContact CD2-CD2 3.94Å; F746-L751 HydrophobicContact CG-CD2 4.11Å; F746-I754 HydrophobicContact CE1-CD1 4.46Å
747D85.6Confident87.8Confident84 Ų8445.2 Ų45.245%0.44928%0.275SS..PPolyproline II helixtrans-65.1154.6168.9-754.2000111.6T694 A749 I750 L751T694-D747 HydrophobicContact CG2-CB 4.29Å; T694-D747 WeakPolarHBondContact CG2-OD2 3.28Å; D747-A749 VanDerWaalsContact C-N 3.29Å; D747-A749 PolarHBondContact O-N 2.93Å; D747-I750 HydrophobicContact CB-CD1 4.01Å; D747-I750 HydrophobicContact CB-CG1 4.42Å; D747-I750 WeakPolarHBondContact O-CB 3.43Å; D747-I750 PolarHBondContact O-N 3.08Å; D747-L751 PolarHBondContact O-N 2.64Å; D747-L751 VanDerWaalsContact O-N 3.14Å
748A83.4Confident87.9Confident40 Ų4043.9 Ų43.933%0.33126%0.262SS..Hα-helixtrans-50.4-45.8179.900000113.4I750 L751 L752 K794A748-I750 VanDerWaalsContact C-N 3.29Å; A748-I750 PolarHBondContact O-N 3.11Å; A748-L751 PolarHBondContact O-N 3.16Å; A748-L752 PolarHBondContact O-N 2.83Å; A748-L752 VanDerWaalsContact O-N 3.09Å; A748-K794 VanDerWaalsContact C-NZ 3.27Å; A748-K794 WeakPolarHBondContact O-CE 3.47Å; A748-K794 PolarHBondContact O-NZ 2.89Å
749A85.2Confident87.9Confident56 Ų5643.8 Ų43.846%0.46326%0.261SS..Hα-helixtrans-66.8-29.4-178.800000113.2D747 R753D747-A749 VanDerWaalsContact C-N 3.29Å; D747-A749 PolarHBondContact O-N 2.93Å; A749-R753 WeakPolarHBondContact O-CB 3.49Å; A749-R753 PolarHBondContact O-N 2.9Å; A749-R753 VanDerWaalsContact O-N 3.17Å; A749-R753 PolarHBondContact O-NH1 3.3Å
750I90.5Very high88Confident0 Ų042.1 Ų42.10%025%0.254CS..Hα-helixtrans-74.4-46.2178.8-61.2162.6000109.5T694 Q697 V698 F746 D747 A748 L752 R753 I754T694-I750 HydrophobicContact CG2-CD1 3.88Å; Q697-I750 HydrophobicContact CB-CD1 3.56Å; Q697-I750 HydrophobicContact CB-CG1 4.44Å; Q697-I750 VanDerWaalsContact OE1-CD1 3.26Å; V698-I750 HydrophobicContact CG2-CD1 3.97Å; V698-I750 HydrophobicContact CG2-CG1 3.75Å; F746-I750 HydrophobicContact CD1-CB 4.44Å; F746-I750 HydrophobicContact CD1-CG2 3.71Å; F746-I750 HydrophobicContact CE1-CG2 4.24Å; F746-I750 HydrophobicContact CG-CG2 4.42Å; D747-I750 HydrophobicContact CB-CD1 4.01Å; D747-I750 HydrophobicContact CB-CG1 4.42Å; D747-I750 WeakPolarHBondContact O-CB 3.43Å; D747-I750 PolarHBondContact O-N 3.08Å; A748-I750 VanDerWaalsContact C-N 3.29Å; A748-I750 PolarHBondContact O-N 3.11Å; I750-L752 VanDerWaalsContact C-N 3.31Å; I750-L752 PolarHBondContact O-N 3.44Å; I750-R753 PolarHBondContact O-N 2.84Å; I750-I754 HydrophobicContact CG2-CD1 3.76Å; I750-I754 HydrophobicContact CG2-CG1 4.37Å; I750-I754 WeakPolarHBondContact O-CG1 3.45Å; I750-I754 PolarHBondContact O-N 3.23Å
751L89.3Confident88.1Confident6 Ų635.8 Ų35.83%0.03122%0.224CC..Hα-helixtrans-56.8-46175.5-68.8172.4000111.3F746 D747 A748 R753 I754 S755 L784 A787F746-L751 HydrophobicContact CB-CD1 4.32Å; F746-L751 HydrophobicContact CB-CD2 3.69Å; F746-L751 HydrophobicContact CB-CG 3.69Å; F746-L751 HydrophobicContact CD2-CD2 3.94Å; F746-L751 HydrophobicContact CG-CD2 4.11Å; D747-L751 PolarHBondContact O-N 2.64Å; D747-L751 VanDerWaalsContact O-N 3.14Å; A748-L751 PolarHBondContact O-N 3.16Å; L751-R753 VanDerWaalsContact C-N 3.35Å; L751-R753 PolarHBondContact O-N 3.18Å; L751-I754 PolarHBondContact O-N 3.05Å; L751-S755 PolarHBondContact O-N 3.2Å; L751-S755 PolarHBondContact O-OG 3.41Å; L751-S755 VanDerWaalsContact O-OG 3.07Å; L751-L784 HydrophobicContact CD2-CD2 3.58Å; L751-A787 HydrophobicContact CD1-CB 3.73Å; L751-A787 HydrophobicContact CD2-CB 4.35Å
752L88Confident88.2Confident43 Ų4333 Ų3323%0.22520%0.202CC..Hα-helixtrans-57.9-47.6176.718062000111.5A748 I750 I754 S755 Q756 K794 L797A748-L752 PolarHBondContact O-N 2.83Å; A748-L752 VanDerWaalsContact O-N 3.09Å; I750-L752 VanDerWaalsContact C-N 3.31Å; I750-L752 PolarHBondContact O-N 3.44Å; L752-I754 PolarHBondContact O-N 3.15Å; L752-S755 WeakPolarHBondContact O-CB 3.34Å; L752-S755 PolarHBondContact O-N 3.5Å; L752-Q756 WeakPolarHBondContact O-CG 3.33Å; L752-Q756 PolarHBondContact O-N 3.31Å; L752-K794 HydrophobicContact CB-CG 4.4Å; L752-K794 HydrophobicContact CD1-CG 3.97Å; L752-L797 HydrophobicContact CD1-CD1 3.31Å
753R90.8Very high88.6Confident39 Ų3932.7 Ų32.715%0.14718%0.181CC..Hα-helixtrans-65.9-38.4-178.6-170.4173.6-72.799.30.2112.5Y538 S701 A705 A749 I750 L751 Q756 A757Y538-R753 VanDerWaalsContact CE1-NE 3.3Å; Y538-R753 VanDerWaalsContact CE1-NH2 3.33Å; Y538-R753 HydrophobicContact CE2-CG 4.16Å; S701-R753 VanDerWaalsContact C-CD 3.47Å; S701-R753 WeakPolarHBondContact O-CD 3.39Å; A705-R753 HydrophobicContact CB-CG 3.93Å; A749-R753 WeakPolarHBondContact O-CB 3.49Å; A749-R753 PolarHBondContact O-N 2.9Å; A749-R753 VanDerWaalsContact O-N 3.17Å; A749-R753 PolarHBondContact O-NH1 3.3Å; I750-R753 PolarHBondContact O-N 2.84Å; L751-R753 VanDerWaalsContact C-N 3.35Å; L751-R753 PolarHBondContact O-N 3.18Å; R753-Q756 PolarHBondContact O-N 3.47Å; R753-A757 WeakPolarHBondContact O-CB 3.42Å; R753-A757 PolarHBondContact O-N 3.39Å
754I92.6Very high88.7Confident2 Ų227.4 Ų27.41%0.0116%0.161CC..Hα-helixtrans-63.5-44.9173.1-68.1166.3000110.3L689 L735 F746 I750 L751 L752 Q756 A757 L758L689-I754 HydrophobicContact CD1-CD1 4.39Å; L689-I754 HydrophobicContact CD2-CD1 4.27Å; L735-I754 HydrophobicContact CD1-CG2 3.66Å; L735-I754 HydrophobicContact CD2-CD1 4.17Å; L735-I754 HydrophobicContact CD2-CG2 4.16Å; F746-I754 HydrophobicContact CE1-CD1 4.46Å; I750-I754 HydrophobicContact CG2-CD1 3.76Å; I750-I754 HydrophobicContact CG2-CG1 4.37Å; I750-I754 WeakPolarHBondContact O-CG1 3.45Å; I750-I754 PolarHBondContact O-N 3.23Å; L751-I754 PolarHBondContact O-N 3.05Å; L752-I754 PolarHBondContact O-N 3.15Å; I754-Q756 VanDerWaalsContact C-N 3.33Å; I754-Q756 PolarHBondContact O-N 3.17Å; I754-A757 PolarHBondContact O-N 3.25Å; I754-L758 HydrophobicContact CG2-CD1 4.15Å; I754-L758 WeakPolarHBondContact O-CG 3.4Å; I754-L758 PolarHBondContact O-N 3.25Å
755S91.4Very high89Confident2 Ų226.3 Ų26.31%0.01415%0.154CC..Hα-helixtrans-61.2-41.6176.1-61.30000112.2L751 L752 L758 I759L751-S755 PolarHBondContact O-N 3.2Å; L751-S755 PolarHBondContact O-OG 3.41Å; L751-S755 VanDerWaalsContact O-OG 3.07Å; L752-S755 WeakPolarHBondContact O-CB 3.34Å; L752-S755 PolarHBondContact O-N 3.5Å; S755-L758 PolarHBondContact O-N 3.33Å; S755-I759 WeakPolarHBondContact O-CG2 3.36Å; S755-I759 PolarHBondContact O-N 3.45Å
756Q90.6Very high89.2Confident20 Ų2024.7 Ų24.79%0.09314%0.138CC..Hα-helixtrans-63-41.5174.6-75.2173.5-27.400112.2Y538 L752 R753 I754 I759 T760 L797Y538-Q756 PolarHBondContact OH-OE1 2.69Å; Y538-Q756 VanDerWaalsContact OH-OE1 3.12Å; L752-Q756 WeakPolarHBondContact O-CG 3.33Å; L752-Q756 PolarHBondContact O-N 3.31Å; R753-Q756 PolarHBondContact O-N 3.47Å; I754-Q756 VanDerWaalsContact C-N 3.33Å; I754-Q756 PolarHBondContact O-N 3.17Å; Q756-I759 VanDerWaalsContact O-CG2 3.28Å; Q756-I759 WeakPolarHBondContact O-CG2 3.31Å; Q756-T760 WeakPolarHBondContact O-CB 3.24Å; Q756-T760 PolarHBondContact O-N 3.07Å; Q756-T760 PolarHBondContact O-OG1 3.35Å; Q756-L797 HydrophobicContact CG-CD1 4.2Å; Q756-L797 HydrophobicContact CG-CD2 4.48Å
757A93.8Very high89.2Confident0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-63-46176.100000111.7I704 T708 R753 I754 T760 L761I704-A757 HydrophobicContact CG2-CB 4.1Å; T708-A757 HydrophobicContact CG2-CB 3.85Å; R753-A757 WeakPolarHBondContact O-CB 3.42Å; R753-A757 PolarHBondContact O-N 3.39Å; I754-A757 PolarHBondContact O-N 3.25Å; A757-T760 PolarHBondContact O-N 3.42Å; A757-L761 WeakPolarHBondContact O-CG 3.15Å; A757-L761 PolarHBondContact O-N 3.04Å
758L94.7Very high89.6Confident0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-59.9-50.5177.7-73.6168.7000112.1L728 L731 V732 L735 I754 S755 T760 L761 M762 L777 V780 L784 M801L728-L758 HydrophobicContact CD1-CD2 3.79Å; L731-L758 HydrophobicContact CD2-CD2 3.73Å; L731-L758 HydrophobicContact CD2-CG 4.15Å; L731-L758 HydrophobicContact CG-CD2 4.24Å; V732-L758 HydrophobicContact CG2-CD2 4.41Å; L735-L758 HydrophobicContact CD1-CD1 4.32Å; I754-L758 HydrophobicContact CG2-CD1 4.15Å; I754-L758 WeakPolarHBondContact O-CG 3.4Å; I754-L758 PolarHBondContact O-N 3.25Å; S755-L758 PolarHBondContact O-N 3.33Å; L758-T760 VanDerWaalsContact C-N 3.31Å; L758-T760 PolarHBondContact O-N 2.71Å; L758-L761 PolarHBondContact O-N 3.44Å; L758-M762 PolarHBondContact O-N 2.99Å; L758-L777 HydrophobicContact CD1-CD1 4.25Å; L758-L777 HydrophobicContact CD2-CD1 4.04Å; L758-V780 HydrophobicContact CD1-CG1 4.46Å; L758-L784 HydrophobicContact CD1-CD1 3.96Å; L758-M801 HydrophobicContact CB-SD 3.76Å
759I91.6Very high89.9Confident0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-66.7-34.4179.4-166.5153.8000111.8P527 M532 S755 Q756 L761 M762 W763 L797 K800 M801 M804P527-I759 HydrophobicContact CB-CD1 4.49Å; P527-I759 HydrophobicContact CG-CD1 3.71Å; P527-I759 HydrophobicContact CG-CG1 4.12Å; M532-I759 HydrophobicContact CG-CD1 4.1Å; M532-I759 HydrophobicContact CG-CG1 4.48Å; M532-I759 HydrophobicContact CG-CG2 3.86Å; M532-I759 HydrophobicContact SD-CD1 3.32Å; M532-I759 WeakPolarHBondContact SD-CD1 2.79Å; M532-I759 HydrophobicContact SD-CG1 4.28Å; M532-I759 HydrophobicContact SD-CG2 4.46Å; S755-I759 WeakPolarHBondContact O-CG2 3.36Å; S755-I759 PolarHBondContact O-N 3.45Å; Q756-I759 VanDerWaalsContact O-CG2 3.28Å; Q756-I759 WeakPolarHBondContact O-CG2 3.31Å; I759-L761 PolarHBondContact O-N 3.17Å; I759-M762 PolarHBondContact O-N 3.27Å; I759-W763 VanDerWaalsContact O-CB 3.31Å; I759-W763 WeakPolarHBondContact O-CB 3.46Å; I759-W763 PolarHBondContact O-N 2.91Å; I759-L797 HydrophobicContact CD1-CD2 4.39Å; I759-L797 HydrophobicContact CG2-CD2 3.95Å; I759-K800 HydrophobicContact CD1-CB 3.92Å; I759-M801 HydrophobicContact CB-CG 3.85Å; I759-M801 HydrophobicContact CB-SD 3.85Å; I759-M801 HydrophobicContact CD1-CG 3.76Å; I759-M801 HydrophobicContact CG1-CG 3.98Å; I759-M804 HydrophobicContact CD1-SD 4.29Å; I759-M804 HydrophobicContact CG1-SD 4.04Å
760T91.6Very high90.2Very high0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-63.9-39176.6-59.70000111.7P533 T534 A712 Q756 A757 L758 W763P533-T760 HydrophobicContact CB-CG2 4.08Å; T534-T760 PolarHBondContact N-OG1 3.21Å; T534-T760 PolarHBondContact OG1-OG1 2.93Å; A712-T760 HydrophobicContact CB-CG2 3.85Å; Q756-T760 WeakPolarHBondContact O-CB 3.24Å; Q756-T760 PolarHBondContact O-N 3.07Å; Q756-T760 PolarHBondContact O-OG1 3.35Å; A757-T760 PolarHBondContact O-N 3.42Å; L758-T760 VanDerWaalsContact C-N 3.31Å; L758-T760 PolarHBondContact O-N 2.71Å; T760-W763 PolarHBondContact O-N 3.08Å
761L93.7Very high90.3Very high0 Ų028.3 Ų28.30%014%0.135CC..Hα-helixtrans-62.6-43.2174.4-75.3171.2000112.2T708 K724 L727 L728 A757 L758 I759 W763T708-L761 HydrophobicContact CG2-CD1 3.66Å; T708-L761 HydrophobicContact CG2-CD2 3.77Å; T708-L761 HydrophobicContact CG2-CG 3.48Å; T708-L761 VanDerWaalsContact CG2-CG 3.48Å; K724-L761 HydrophobicContact CB-CD2 4.03Å; K724-L761 HydrophobicContact CG-CD2 3.88Å; L727-L761 HydrophobicContact CD2-CD1 4.46Å; L727-L761 HydrophobicContact CD2-CD2 4.14Å; L727-L761 HydrophobicContact CG-CD1 4.35Å; L728-L761 HydrophobicContact CB-CD1 4.12Å; L728-L761 HydrophobicContact CD1-CD1 4.13Å; A757-L761 WeakPolarHBondContact O-CG 3.15Å; A757-L761 PolarHBondContact O-N 3.04Å; L758-L761 PolarHBondContact O-N 3.44Å; I759-L761 PolarHBondContact O-N 3.17Å; L761-W763 VanDerWaalsContact C-N 3.34Å
762M92.3Very high90.5Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-79.7-16.3-177.9-64.2-175.2-64.800113.5L758 I759 G764 D765 V768 V769 A772 L777 M801 M804L758-M762 PolarHBondContact O-N 2.99Å; I759-M762 PolarHBondContact O-N 3.27Å; M762-G764 PolarHBondContact O-N 2.71Å; M762-G764 VanDerWaalsContact O-N 3.11Å; M762-D765 PolarHBondContact O-N 3.36Å; M762-D765 VanDerWaalsContact O-N 3.12Å; M762-V768 HydrophobicContact CG-CG1 4.12Å; M762-V769 HydrophobicContact CB-CG2 3.94Å; M762-V769 HydrophobicContact CG-CG2 4.48Å; M762-A772 HydrophobicContact CG-CB 4.45Å; M762-A772 HydrophobicContact SD-CB 3.8Å; M762-L777 HydrophobicContact CE-CD2 3.79Å; M762-L777 HydrophobicContact SD-CD2 3.46Å; M762-L777 WeakPolarHBondContact SD-CD2 3.5Å; M762-M801 HydrophobicContact CE-CB 3.88Å; M762-M801 HydrophobicContact CE-CG 3.42Å; M762-M801 VanDerWaalsContact CE-CG 3.42Å; M762-M801 HydrophobicContact CE-SD 3.46Å; M762-M801 WeakPolarHBondContact CE-SD 3.29Å; M762-M804 HydrophobicContact CB-CE 3.45Å; M762-M804 VanDerWaalsContact CB-CE 3.45Å; M762-M804 HydrophobicContact CB-SD 4.32Å; M762-M804 HydrophobicContact CE-SD 4.33Å; M762-M804 VanDerWaalsContact O-CE 3.25Å; M762-M804 WeakPolarHBondContact O-CE 3.33Å
763W89Confident90.7Very high55 Ų5528.3 Ų28.321%0.20813%0.133CC..THydrogen-bonded Turntrans-62.1114.9-168-165.687.1000112K526 P527 P533 I759 T760 L761 D765K526-W763 HydrophobicContact CB-CZ2 4.18Å; K526-W763 HydrophobicContact CG-CZ2 4.32Å; P527-W763 PolarHBondContact O-NE1 2.99Å; P533-W763 HydrophobicContact CB-CB 4.24Å; P533-W763 HydrophobicContact CB-CD2 4.21Å; P533-W763 HydrophobicContact CB-CG 3.99Å; P533-W763 HydrophobicContact CG-CD2 3.85Å; P533-W763 HydrophobicContact CG-CE3 4.13Å; P533-W763 HydrophobicContact CG-CG 4.16Å; P533-W763 HydrophobicContact CG-CZ2 4.44Å; I759-W763 VanDerWaalsContact O-CB 3.31Å; I759-W763 WeakPolarHBondContact O-CB 3.46Å; I759-W763 PolarHBondContact O-N 2.91Å; T760-W763 PolarHBondContact O-N 3.08Å; L761-W763 VanDerWaalsContact C-N 3.34Å; W763-D765 VanDerWaalsContact C-N 3.26Å; W763-D765 PolarHBondContact O-N 3.29Å
764G80.7Confident90.8Very high35 Ų3531.5 Ų31.536%0.36116%0.157SC..THydrogen-bonded Turntrans70.612.4179.500000115.3F525 M762F525-G764 WeakPolarHBondContact O-CA 3.25Å; F525-G764 PolarHBondContact O-N 3.38Å; M762-G764 PolarHBondContact O-N 2.71Å; M762-G764 VanDerWaalsContact O-N 3.11Å
765D84.9Confident90.8Very high13 Ų1335.1 Ų35.17%0.0718%0.175CC..  trans-123.495.1-171.9-164.3-34.5000111.4T721 K724 M762 W763 D767 V768 V769T721-D765 PolarHBondContact OG1-OD2 3.43Å; K724-D765 IonicContact NZ-OD2 3.9Å; K724-D765 PolarHBondContact NZ-OD2 3.41Å; M762-D765 PolarHBondContact O-N 3.36Å; M762-D765 VanDerWaalsContact O-N 3.12Å; W763-D765 VanDerWaalsContact C-N 3.26Å; W763-D765 PolarHBondContact O-N 3.29Å; D765-D767 VanDerWaalsContact C-N 3.33Å; D765-D767 PolarHBondContact O-N 3.17Å; D765-D767 PolarHBondContact OD1-N 3.18Å; D765-V768 HydrophobicContact CB-CB 4.03Å; D765-V768 HydrophobicContact CB-CG2 3.94Å; D765-V768 PolarHBondContact O-N 3.11Å; D765-V768 WeakPolarHBondContact OD1-CG2 3.26Å; D765-V768 PolarHBondContact OD1-N 3.48Å; D765-V768 WeakPolarHBondContact OD2-CG2 3.41Å; D765-V769 WeakPolarHBondContact O-CG2 3.23Å; D765-V769 PolarHBondContact O-N 3.44Å
766Y86.9Confident90.8Very high109 Ų10939.3 Ų39.343%0.42720%0.197SC..Hα-helixtrans-58-41.5-176.5175.5-95.6000112.9F525 V768 V769 K770 V808F525-Y766 AromaticContact CE1-CD2 3.99Å; F525-Y766 HydrophobicContact CE1-CD2 3.99Å; F525-Y766 HydrophobicContact CE2-CD2 4.11Å; F525-Y766 AromaticContact CZ-CD2 3.61Å; F525-Y766 HydrophobicContact CZ-CD2 3.61Å; F525-Y766 HydrophobicContact CZ-CE2 4.03Å; Y766-V768 PolarHBondContact O-N 3.42Å; Y766-V769 PolarHBondContact O-N 3.23Å; Y766-K770 HydrophobicContact CE1-CD 4.13Å; Y766-K770 WeakPolarHBondContact O-CB 3.43Å; Y766-K770 PolarHBondContact O-N 3.39Å; Y766-V808 HydrophobicContact CE2-CG1 4.19Å; Y766-V808 HydrophobicContact CE2-CG2 4.25Å
767D87.4Confident91Very high97 Ų9738.4 Ų38.452%0.51919%0.192SC..Hα-helixtrans-67.3-38.6-178.4-71.8-41.8000111.3T721 D765 K770 Y771T721-D767 HydrophobicContact CG2-CB 4.01Å; D765-D767 VanDerWaalsContact C-N 3.33Å; D765-D767 PolarHBondContact O-N 3.17Å; D765-D767 PolarHBondContact OD1-N 3.18Å; D767-K770 PolarHBondContact O-N 3.45Å; D767-Y771 WeakPolarHBondContact O-CB 3.27Å; D767-Y771 PolarHBondContact O-N 2.84Å
768V92.7Very high90.9Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-65.4-42.5173.3179.90000111T721 K724 V725 L728 M762 D765 Y766 Y771 A772T721-V768 HydrophobicContact CG2-CG2 4.15Å; K724-V768 HydrophobicContact CB-CG1 4.5Å; K724-V768 HydrophobicContact CB-CG2 3.68Å; K724-V768 HydrophobicContact CD-CG2 4.02Å; V725-V768 HydrophobicContact CG2-CG2 3.94Å; L728-V768 HydrophobicContact CD2-CG1 3.62Å; M762-V768 HydrophobicContact CG-CG1 4.12Å; D765-V768 HydrophobicContact CB-CB 4.03Å; D765-V768 HydrophobicContact CB-CG2 3.94Å; D765-V768 PolarHBondContact O-N 3.11Å; D765-V768 WeakPolarHBondContact OD1-CG2 3.26Å; D765-V768 PolarHBondContact OD1-N 3.48Å; D765-V768 WeakPolarHBondContact OD2-CG2 3.41Å; Y766-V768 PolarHBondContact O-N 3.42Å; V768-Y771 PolarHBondContact O-N 2.84Å; V768-A772 WeakPolarHBondContact O-CB 3.17Å; V768-A772 PolarHBondContact O-N 3.14Å
769V90.9Very high90.9Very high0 Ų045.8 Ų45.80%023%0.225CC..Hα-helixtrans-64.8-42.2178.2-172.40000111F525 M762 D765 Y766 Y771 A772 K773 M804 L805 V808F525-V769 HydrophobicContact CD1-CB 4.22Å; F525-V769 HydrophobicContact CD1-CG1 4.28Å; F525-V769 HydrophobicContact CD1-CG2 3.75Å; F525-V769 HydrophobicContact CE1-CB 4.14Å; F525-V769 HydrophobicContact CE1-CG1 4.02Å; F525-V769 HydrophobicContact CE1-CG2 4.19Å; M762-V769 HydrophobicContact CB-CG2 3.94Å; M762-V769 HydrophobicContact CG-CG2 4.48Å; D765-V769 WeakPolarHBondContact O-CG2 3.23Å; D765-V769 PolarHBondContact O-N 3.44Å; Y766-V769 PolarHBondContact O-N 3.23Å; V769-Y771 VanDerWaalsContact C-N 3.35Å; V769-Y771 PolarHBondContact O-N 3.4Å; V769-A772 VanDerWaalsContact O-CB 3.31Å; V769-A772 WeakPolarHBondContact O-CB 3.42Å; V769-A772 PolarHBondContact O-N 3.06Å; V769-K773 PolarHBondContact O-N 3.23Å; V769-K773 VanDerWaalsContact O-N 3.08Å; V769-M804 HydrophobicContact CG1-CB 3.94Å; V769-M804 WeakPolarHBondContact CG1-O 3.39Å; V769-M804 HydrophobicContact CG2-CE 4.03Å; V769-L805 HydrophobicContact CG1-CD2 4.12Å; V769-V808 HydrophobicContact CB-CG2 4.01Å; V769-V808 HydrophobicContact CG1-CG2 3.53Å
770K90.1Very high90.9Very high106 Ų10645.8 Ų45.846%0.46123%0.225SC..Hα-helixtrans-61-44.9175.2-176.9178.7179-177.40111.5Y766 D767 K773 T774 V808Y766-K770 HydrophobicContact CE1-CD 4.13Å; Y766-K770 WeakPolarHBondContact O-CB 3.43Å; Y766-K770 PolarHBondContact O-N 3.39Å; D767-K770 PolarHBondContact O-N 3.45Å; K770-K773 WeakPolarHBondContact O-CB 3.36Å; K770-K773 PolarHBondContact O-N 3.03Å; K770-T774 PolarHBondContact O-N 3.39Å; K770-V808 HydrophobicContact CB-CG1 3.9Å; K770-V808 HydrophobicContact CG-CG1 3.98Å
771Y93.5Very high91Very high67 Ų6745.8 Ų45.826%0.26323%0.225SC..Hα-helixtrans-63.3-42.7174.6-177-98.4000112.2V725 L728 D767 V768 V769 K773 T774 M775V725-Y771 HydrophobicContact CB-CD1 4.39Å; V725-Y771 HydrophobicContact CG1-CD1 3.73Å; V725-Y771 HydrophobicContact CG1-CD2 3.76Å; V725-Y771 HydrophobicContact CG1-CE1 3.7Å; V725-Y771 HydrophobicContact CG1-CE2 3.73Å; V725-Y771 HydrophobicContact CG1-CG 3.72Å; V725-Y771 HydrophobicContact CG2-CG 4.34Å; V725-Y771 VanDerWaalsContact O-CE1 3.24Å; V725-Y771 WeakPolarHBondContact O-CE1 3.41Å; L728-Y771 HydrophobicContact CD2-CD1 4.08Å; D767-Y771 WeakPolarHBondContact O-CB 3.27Å; D767-Y771 PolarHBondContact O-N 2.84Å; V768-Y771 PolarHBondContact O-N 2.84Å; V769-Y771 VanDerWaalsContact C-N 3.35Å; V769-Y771 PolarHBondContact O-N 3.4Å; Y771-K773 PolarHBondContact O-N 2.92Å; Y771-T774 WeakPolarHBondContact CA-OG1 3.35Å; Y771-T774 PolarHBondContact O-N 3.44Å; Y771-T774 PolarHBondContact O-OG1 2.95Å; Y771-M775 HydrophobicContact CD1-CG 4.16Å; Y771-M775 HydrophobicContact CE1-CE 4.14Å; Y771-M775 HydrophobicContact CE1-CG 3.69Å; Y771-M775 HydrophobicContact CE2-CE 4.08Å; Y771-M775 HydrophobicContact CE2-CG 4.48Å; Y771-M775 VanDerWaalsContact CZ-CE 3.48Å; Y771-M775 PolarHBondContact O-N 2.89Å; Y771-M775 WeakPolarHBondContact OH-CE 3.37Å
772A93.9Very high90.8Very high0 Ų048 Ų480%024%0.24CC..Hα-helixtrans-53.5-42.317600000112.1L728 M762 V768 V769 M775 N776 L777 L805L728-A772 HydrophobicContact CD2-CB 3.6Å; M762-A772 HydrophobicContact CG-CB 4.45Å; M762-A772 HydrophobicContact SD-CB 3.8Å; V768-A772 WeakPolarHBondContact O-CB 3.17Å; V768-A772 PolarHBondContact O-N 3.14Å; V769-A772 VanDerWaalsContact O-CB 3.31Å; V769-A772 WeakPolarHBondContact O-CB 3.42Å; V769-A772 PolarHBondContact O-N 3.06Å; A772-M775 PolarHBondContact O-N 3.3Å; A772-N776 PolarHBondContact O-N 3.09Å; A772-L777 HydrophobicContact CB-CB 4.2Å; A772-L777 HydrophobicContact CB-CD2 3.77Å; A772-L777 VanDerWaalsContact O-CB 3.23Å; A772-L777 WeakPolarHBondContact O-CB 3.2Å; A772-L777 PolarHBondContact O-N 3.46Å; A772-L777 VanDerWaalsContact O-N 3.11Å; A772-L805 HydrophobicContact CB-CD2 3.87Å
773K91.7Very high90.7Very high50 Ų5051.3 Ų51.322%0.21726%0.255CS..Hα-helixtrans-63-44.7175.6-164.2172.1-165.6160.20112.3V769 K770 Y771 M775 N776 L805 D809V769-K773 PolarHBondContact O-N 3.23Å; V769-K773 VanDerWaalsContact O-N 3.08Å; K770-K773 WeakPolarHBondContact O-CB 3.36Å; K770-K773 PolarHBondContact O-N 3.03Å; Y771-K773 PolarHBondContact O-N 2.92Å; K773-M775 PolarHBondContact O-N 3.46Å; K773-N776 PolarHBondContact O-N 2.94Å; K773-L805 HydrophobicContact CB-CD2 4.03Å; K773-L805 PolarHBondContact NZ-O 3.44Å; K773-D809 IonicContact NZ-OD1 3.89Å; K773-D809 PolarHBondContact NZ-OD1 3.45Å; K773-D809 IonicContact NZ-OD2 3.94Å; K773-D809 PolarHBondContact NZ-OD2 2.9Å
774T93.3Very high90.7Very high105 Ų10548.8 Ų48.864%0.64425%0.245SC*.Hα-helixtrans-63.6-28.5177.162.10000113.4K770 Y771 N776K770-T774 PolarHBondContact O-N 3.39Å; Y771-T774 WeakPolarHBondContact CA-OG1 3.35Å; Y771-T774 PolarHBondContact O-N 3.44Å; Y771-T774 PolarHBondContact O-OG1 2.95Å; T774-N776 PolarHBondContact O-N 3.48Å
775M92.6Very high90.9Very high79 Ų7951.5 Ų51.539%0.38925%0.247SC..THydrogen-bonded Turntrans-83.79.3175.5-75.8-62.6-173.100114V732 Y771 A772 K773 L777V732-M775 HydrophobicContact CG1-CB 4.14Å; V732-M775 WeakPolarHBondContact CG1-O 3.47Å; Y771-M775 HydrophobicContact CD1-CG 4.16Å; Y771-M775 HydrophobicContact CE1-CE 4.14Å; Y771-M775 HydrophobicContact CE1-CG 3.69Å; Y771-M775 HydrophobicContact CE2-CE 4.08Å; Y771-M775 HydrophobicContact CE2-CG 4.48Å; Y771-M775 VanDerWaalsContact CZ-CE 3.48Å; Y771-M775 PolarHBondContact O-N 2.89Å; Y771-M775 WeakPolarHBondContact OH-CE 3.37Å; A772-M775 PolarHBondContact O-N 3.3Å; K773-M775 PolarHBondContact O-N 3.46Å; M775-L777 VanDerWaalsContact C-N 3.29Å; M775-L777 PolarHBondContact O-N 2.81Å
776N91.3Very high90.9Very high90 Ų9057 Ų5748%0.48128%0.276SS..THydrogen-bonded Turntrans55.742.4-178.8-166.713.8000112.7A772 K773 T774 E778 Y779A772-N776 PolarHBondContact O-N 3.09Å; K773-N776 PolarHBondContact O-N 2.94Å; T774-N776 PolarHBondContact O-N 3.48Å; N776-E778 PolarHBondContact O-N 3.28Å; N776-Y779 WeakPolarHBondContact O-CB 3.48Å; N776-Y779 PolarHBondContact O-N 3.33Å; N776-Y779 PolarHBondContact OD1-N 2.92Å
777L94Very high90.4Very high0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-54.3-27.4174.6178.263.9000111.8V732 L758 M762 A772 M775 Y779 V780 L781 L805V732-L777 HydrophobicContact CG2-CD1 3.71Å; L758-L777 HydrophobicContact CD1-CD1 4.25Å; L758-L777 HydrophobicContact CD2-CD1 4.04Å; M762-L777 HydrophobicContact CE-CD2 3.79Å; M762-L777 HydrophobicContact SD-CD2 3.46Å; M762-L777 WeakPolarHBondContact SD-CD2 3.5Å; A772-L777 HydrophobicContact CB-CB 4.2Å; A772-L777 HydrophobicContact CB-CD2 3.77Å; A772-L777 VanDerWaalsContact O-CB 3.23Å; A772-L777 WeakPolarHBondContact O-CB 3.2Å; A772-L777 PolarHBondContact O-N 3.46Å; A772-L777 VanDerWaalsContact O-N 3.11Å; M775-L777 VanDerWaalsContact C-N 3.29Å; M775-L777 PolarHBondContact O-N 2.81Å; L777-Y779 VanDerWaalsContact C-N 3.26Å; L777-Y779 PolarHBondContact O-N 3.49Å; L777-V780 HydrophobicContact CD1-CB 4.17Å; L777-V780 HydrophobicContact CD1-CG1 4.32Å; L777-V780 PolarHBondContact O-N 3.49Å; L777-V780 VanDerWaalsContact O-N 3.07Å; L777-L781 HydrophobicContact CD1-CG 4.42Å; L777-L781 HydrophobicContact CD2-CD1 4.49Å; L777-L781 HydrophobicContact CG-CD1 4.2Å; L777-L781 HydrophobicContact CG-CG 4.06Å; L777-L781 WeakPolarHBondContact O-CG 3.23Å; L777-L781 PolarHBondContact O-N 3.35Å; L777-L805 HydrophobicContact CB-CD1 4.29Å; L777-L805 HydrophobicContact CD2-CD1 4.25Å; L777-L805 HydrophobicContact CD2-CD2 4.41Å; L777-L805 HydrophobicContact CG-CD1 4.31Å
778E92.7Very high89.4Confident96 Ų9649.9 Ų49.945%0.44925%0.254SS..Hα-helixtrans-53.8-39.3174.8-62.4-176.115800113.1N776 L781 S782 L805N776-E778 PolarHBondContact O-N 3.28Å; E778-L781 PolarHBondContact O-N 3.08Å; E778-S782 PolarHBondContact O-N 3.25Å; E778-L805 HydrophobicContact CG-CD1 3.8Å
779Y93.7Very high87.6Confident59 Ų5954.8 Ų54.823%0.23129%0.288CS..Hα-helixtrans-61.2-49.1174.3174.8-95.2000111.4T736 E740 N776 L777 L781 S782 K783T736-Y779 HydrophobicContact CG2-CD1 3.96Å; T736-Y779 HydrophobicContact CG2-CE1 3.84Å; E740-Y779 HydrophobicContact CG-CE1 4.43Å; E740-Y779 WeakPolarHBondContact CG-OH 3.35Å; N776-Y779 WeakPolarHBondContact O-CB 3.48Å; N776-Y779 PolarHBondContact O-N 3.33Å; N776-Y779 PolarHBondContact OD1-N 2.92Å; L777-Y779 VanDerWaalsContact C-N 3.26Å; L777-Y779 PolarHBondContact O-N 3.49Å; Y779-L781 VanDerWaalsContact C-N 3.34Å; Y779-L781 PolarHBondContact O-N 3.49Å; Y779-S782 WeakPolarHBondContact O-CB 3.4Å; Y779-S782 PolarHBondContact O-N 3.48Å; Y779-S782 PolarHBondContact O-OG 3.49Å; Y779-K783 HydrophobicContact CE1-CG 4.05Å; Y779-K783 HydrophobicContact CE2-CG 4.49Å; Y779-K783 PolarHBondContact O-N 3.44Å; Y779-K783 VanDerWaalsContact O-N 3.13Å; Y779-K783 WeakPolarHBondContact OH-CE 3.45Å
780V93Very high85.9Confident0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-61.5-43.6178.5171.90000110.8V732 L735 T736 F739 L758 L777 S782 K783 L784V732-V780 HydrophobicContact CG1-CG2 4.06Å; L735-V780 HydrophobicContact CB-CG1 4.05Å; L735-V780 HydrophobicContact CB-CG2 4.25Å; L735-V780 HydrophobicContact CD1-CG1 3.88Å; T736-V780 WeakPolarHBondContact OG1-CG2 3.39Å; F739-V780 HydrophobicContact CE2-CG1 4.17Å; L758-V780 HydrophobicContact CD1-CG1 4.46Å; L777-V780 HydrophobicContact CD1-CB 4.17Å; L777-V780 HydrophobicContact CD1-CG1 4.32Å; L777-V780 PolarHBondContact O-N 3.49Å; L777-V780 VanDerWaalsContact O-N 3.07Å; V780-S782 VanDerWaalsContact C-N 3.31Å; V780-S782 PolarHBondContact O-N 3.11Å; V780-K783 PolarHBondContact O-N 3.36Å; V780-L784 HydrophobicContact CG1-CD1 4.01Å; V780-L784 HydrophobicContact CG1-CG 4.37Å; V780-L784 WeakPolarHBondContact O-CG 3.46Å; V780-L784 PolarHBondContact O-N 3.23Å
781L92.3Very high84.6Confident1 Ų160.9 Ų60.91%0.00532%0.323CS..Hα-helixtrans-60.5-39.9176.1-67.2179.2000111.9L777 E778 Y779 K783 L784 K785 I798 M801 E802 L805L777-L781 HydrophobicContact CD1-CG 4.42Å; L777-L781 HydrophobicContact CD2-CD1 4.49Å; L777-L781 HydrophobicContact CG-CD1 4.2Å; L777-L781 HydrophobicContact CG-CG 4.06Å; L777-L781 WeakPolarHBondContact O-CG 3.23Å; L777-L781 PolarHBondContact O-N 3.35Å; E778-L781 PolarHBondContact O-N 3.08Å; Y779-L781 VanDerWaalsContact C-N 3.34Å; Y779-L781 PolarHBondContact O-N 3.49Å; L781-K783 PolarHBondContact O-N 3.3Å; L781-L784 HydrophobicContact CD2-CD1 4.46Å; L781-L784 PolarHBondContact O-N 2.96Å; L781-K785 WeakPolarHBondContact O-CB 3.06Å; L781-K785 PolarHBondContact O-N 3.07Å; L781-I798 HydrophobicContact CB-CG2 4.27Å; L781-I798 HydrophobicContact CD2-CG2 4.5Å; L781-M801 HydrophobicContact CD1-CB 3.84Å; L781-M801 HydrophobicContact CD2-CB 4.08Å; L781-M801 HydrophobicContact CD2-CE 3.63Å; L781-M801 HydrophobicContact CD2-SD 3.86Å; L781-E802 HydrophobicContact CD1-CG 4.24Å; L781-L805 HydrophobicContact CD1-CD1 3.66Å
782S90.9Very high82.9Confident46 Ų4665.8 Ų65.832%0.32235%0.346SS..Hα-helixtrans-61.6-42.317679.20000112.3E778 Y779 V780 K785 D786E778-S782 PolarHBondContact O-N 3.25Å; Y779-S782 WeakPolarHBondContact O-CB 3.4Å; Y779-S782 PolarHBondContact O-N 3.48Å; Y779-S782 PolarHBondContact O-OG 3.49Å; V780-S782 VanDerWaalsContact C-N 3.31Å; V780-S782 PolarHBondContact O-N 3.11Å; S782-K785 WeakPolarHBondContact O-CB 3.31Å; S782-K785 PolarHBondContact O-N 2.64Å; S782-D786 PolarHBondContact O-N 3.49Å
783K90.2Very high81.4Confident69 Ų6969.4 Ų69.430%0.337%0.365SS..Hα-helixtrans-69.8-39.1178-64.9-62.9-177.3-173.70112.8F739 Y779 V780 L781 K785 D786 A787F739-K783 HydrophobicContact CB-CB 4.03Å; F739-K783 HydrophobicContact CB-CD 4.36Å; F739-K783 HydrophobicContact CB-CG 3.84Å; F739-K783 HydrophobicContact CD1-CB 3.96Å; F739-K783 HydrophobicContact CD2-CB 3.61Å; F739-K783 HydrophobicContact CD2-CG 4.17Å; F739-K783 HydrophobicContact CE1-CB 4.34Å; F739-K783 HydrophobicContact CE2-CB 4.02Å; F739-K783 HydrophobicContact CG-CB 3.6Å; F739-K783 HydrophobicContact CG-CG 3.99Å; F739-K783 HydrophobicContact CZ-CB 4.38Å; Y779-K783 HydrophobicContact CE1-CG 4.05Å; Y779-K783 HydrophobicContact CE2-CG 4.49Å; Y779-K783 PolarHBondContact O-N 3.44Å; Y779-K783 VanDerWaalsContact O-N 3.13Å; Y779-K783 WeakPolarHBondContact OH-CE 3.45Å; V780-K783 PolarHBondContact O-N 3.36Å; L781-K783 PolarHBondContact O-N 3.3Å; K783-K785 VanDerWaalsContact C-N 3.26Å; K783-K785 PolarHBondContact O-N 3.18Å; K783-D786 PolarHBondContact O-N 2.94Å; K783-A787 PolarHBondContact O-N 3.06Å
784L87.4Confident80.4Confident3 Ų367.4 Ų67.42%0.01636%0.357CS..Hα-helixtrans-61.7-37.6172.7-71.2173.6000111.6F739 L751 L758 V780 L781 A787 S788 I798F739-L784 HydrophobicContact CE2-CD2 4.22Å; F739-L784 HydrophobicContact CE2-CG 4.28Å; F739-L784 HydrophobicContact CZ-CD2 3.7Å; F739-L784 HydrophobicContact CZ-CG 4.17Å; L751-L784 HydrophobicContact CD2-CD2 3.58Å; L758-L784 HydrophobicContact CD1-CD1 3.96Å; V780-L784 HydrophobicContact CG1-CD1 4.01Å; V780-L784 HydrophobicContact CG1-CG 4.37Å; V780-L784 WeakPolarHBondContact O-CG 3.46Å; V780-L784 PolarHBondContact O-N 3.23Å; L781-L784 HydrophobicContact CD2-CD1 4.46Å; L781-L784 PolarHBondContact O-N 2.96Å; L784-A787 PolarHBondContact O-N 2.71Å; L784-S788 PolarHBondContact O-N 2.59Å; L784-I798 HydrophobicContact CB-CD1 3.96Å
785K85.8Confident79.5Confident92 Ų9267.5 Ų67.540%0.435%0.348SS..Hα-helixtrans-66.4-45177-162.7176.2-164.81620111.4L781 S782 K783 A787 S788 I798 E802L781-K785 WeakPolarHBondContact O-CB 3.06Å; L781-K785 PolarHBondContact O-N 3.07Å; S782-K785 WeakPolarHBondContact O-CB 3.31Å; S782-K785 PolarHBondContact O-N 2.64Å; K783-K785 VanDerWaalsContact C-N 3.26Å; K783-K785 PolarHBondContact O-N 3.18Å; K785-A787 VanDerWaalsContact C-N 3.32Å; K785-A787 PolarHBondContact O-N 3.13Å; K785-S788 PolarHBondContact O-N 3.38Å; K785-S788 VanDerWaalsContact O-N 3.14Å; K785-S788 PolarHBondContact O-OG 3.41Å; K785-I798 HydrophobicContact CB-CD1 4.1Å; K785-I798 HydrophobicContact CB-CG2 4.43Å; K785-I798 HydrophobicContact CD-CG2 4.44Å; K785-E802 IonicContact NZ-OE1 3.82Å; K785-E802 PolarHBondContact NZ-OE1 3.28Å; K785-E802 IonicContact NZ-OE2 3.38Å; K785-E802 PolarHBondContact NZ-OE2 3.02Å
786D83.9Confident78.8Confident127 Ų12766.5 Ų66.568%0.67934%0.344SS*.Hα-helixtrans-62.2-37.7177-69.3-17.6000112.4S782 K783 S788S782-D786 PolarHBondContact O-N 3.49Å; K783-D786 PolarHBondContact O-N 2.94Å; D786-S788 VanDerWaalsContact C-N 3.26Å; D786-S788 PolarHBondContact O-N 3.02Å
787A78.1Confident78.4Confident49 Ų4962.3 Ų62.341%0.40532%0.322SS..Hα-helixtrans-73.4-15.6177.500000113.6L751 K783 L784 K785 S789L751-A787 HydrophobicContact CD1-CB 3.73Å; L751-A787 HydrophobicContact CD2-CB 4.35Å; K783-A787 PolarHBondContact O-N 3.06Å; L784-A787 PolarHBondContact O-N 2.71Å; K785-A787 VanDerWaalsContact C-N 3.32Å; K785-A787 PolarHBondContact O-N 3.13Å; A787-S789 PolarHBondContact O-N 2.9Å
788S65.4Low78Confident9 Ų962.3 Ų62.36%0.06332%0.322CS..  trans-86.892.8-175.771.30000112.6L784 K785 D786 N790L784-S788 PolarHBondContact O-N 2.59Å; K785-S788 PolarHBondContact O-N 3.38Å; K785-S788 VanDerWaalsContact O-N 3.14Å; K785-S788 PolarHBondContact O-OG 3.41Å; D786-S788 VanDerWaalsContact C-N 3.26Å; D786-S788 PolarHBondContact O-N 3.02Å; S788-N790 PolarHBondContact O-N 2.87Å
789S54.9Low77.7Confident103 Ų10359 Ų5972%0.7231%0.313SS*.  trans-78.4115.3168.750.40000110.7A787 E791A787-S789 PolarHBondContact O-N 2.9Å; S789-E791 VanDerWaalsContact C-N 3.28Å; S789-E791 PolarHBondContact O-N 3.19Å
790N55Low77.3Confident151 Ų15157.8 Ų57.881%0.80731%0.309SS*.SBendtrans52.61.8167.5-72.3-10000121.8S788 F792S788-N790 PolarHBondContact O-N 2.87Å; N790-F792 PolarHBondContact O-N 3.32Å
791E62.2Low77.2Confident82 Ų8257.8 Ų57.838%0.38331%0.309SS..  trans-79.9113.8175-79.6-177.6-163.300112.5S789 D793 K794S789-E791 VanDerWaalsContact C-N 3.28Å; S789-E791 PolarHBondContact O-N 3.19Å; E791-D793 PolarHBondContact O-N 3.07Å; E791-K794 HydrophobicContact CB-CD 4.09Å; E791-K794 HydrophobicContact CB-CG 4.33Å; E791-K794 PolarHBondContact O-N 3.44Å; E791-K794 IonicContact OE1-NZ 3.52Å; E791-K794 WeakPolarHBondContact OE2-CD 3.48Å; E791-K794 WeakPolarHBondContact OE2-CE 3.36Å; E791-K794 IonicContact OE2-NZ 3.17Å; E791-K794 PolarHBondContact OE2-NZ 3.47Å
792F58.2Low77.1Confident170 Ų17060.2 Ų60.275%0.74632%0.32SS*.Hα-helixtrans-55.6-45-177.7-176.5-96.8000112.7N790 K794 K795 D796N790-F792 PolarHBondContact O-N 3.32Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 3.41Å; F792-K795 PolarHBondContact O-N 2.91Å; F792-D796 PolarHBondContact O-N 2.85Å; F792-D796 VanDerWaalsContact O-N 3.13Å
793D63.6Low76.9Confident77 Ų7761.5 Ų61.541%0.41233%0.326SS..Hα-helixtrans-64-34.4-174.8-62.1-23.4000113E791 L797E791-D793 PolarHBondContact O-N 3.07Å; D793-L797 WeakPolarHBondContact O-CG 3.31Å; D793-L797 PolarHBondContact O-N 2.72Å
794K69.8Low76.9Confident8 Ų858.2 Ų58.24%0.03531%0.312CS..Hα-helixtrans-69.7-43.3177.6-70.4177.6179.3150.40112.5A748 L752 E791 F792 D796 L797 I798A748-K794 VanDerWaalsContact C-NZ 3.27Å; A748-K794 WeakPolarHBondContact O-CE 3.47Å; A748-K794 PolarHBondContact O-NZ 2.89Å; L752-K794 HydrophobicContact CB-CG 4.4Å; L752-K794 HydrophobicContact CD1-CG 3.97Å; E791-K794 HydrophobicContact CB-CD 4.09Å; E791-K794 HydrophobicContact CB-CG 4.33Å; E791-K794 PolarHBondContact O-N 3.44Å; E791-K794 IonicContact OE1-NZ 3.52Å; E791-K794 WeakPolarHBondContact OE2-CD 3.48Å; E791-K794 WeakPolarHBondContact OE2-CE 3.36Å; E791-K794 IonicContact OE2-NZ 3.17Å; E791-K794 PolarHBondContact OE2-NZ 3.47Å; F792-K794 VanDerWaalsContact C-N 3.32Å; F792-K794 PolarHBondContact O-N 3.41Å; K794-D796 PolarHBondContact O-N 3.12Å; K794-L797 PolarHBondContact O-N 3.01Å; K794-I798 VanDerWaalsContact O-CG1 3.31Å; K794-I798 WeakPolarHBondContact O-CG1 3.29Å; K794-I798 PolarHBondContact O-N 3.01Å
795K73.7Confident77Confident106 Ų10658.1 Ų58.146%0.46131%0.312SS..Hα-helixtrans-64.6-35.8178.7-72.1-175177.7178.90111F792 G799F792-K795 PolarHBondContact O-N 2.91Å; K795-G799 PolarHBondContact O-N 3.24Å
796D78.2Confident77.1Confident59 Ų5959.9 Ų59.932%0.31632%0.319SS..Hα-helixtrans-65-47.6173.8-179.257.8000112.1F792 K794 I798 G799 K800F792-D796 PolarHBondContact O-N 2.85Å; F792-D796 VanDerWaalsContact O-N 3.13Å; K794-D796 PolarHBondContact O-N 3.12Å; D796-I798 PolarHBondContact O-N 3.15Å; D796-G799 PolarHBondContact O-N 3.37Å; D796-K800 VanDerWaalsContact CG-NZ 3.34Å; D796-K800 WeakPolarHBondContact O-CG 3.26Å; D796-K800 PolarHBondContact O-N 2.99Å; D796-K800 VanDerWaalsContact OD1-CE 3.22Å; D796-K800 WeakPolarHBondContact OD1-CE 3.26Å; D796-K800 IonicContact OD1-NZ 3.87Å; D796-K800 PolarHBondContact OD1-NZ 3.37Å; D796-K800 WeakPolarHBondContact OD2-CE 3.44Å; D796-K800 IonicContact OD2-NZ 3.08Å; D796-K800 PolarHBondContact OD2-NZ 2.74Å
797L82.9Confident76.9Confident1 Ų155.4 Ų55.41%0.00530%0.3CS..Hα-helixtrans-55.9-50.9174.4-79.2161.9000112.7M532 L752 Q756 I759 D793 K794 G799 K800 M801M532-L797 HydrophobicContact CE-CD2 3.56Å; M532-L797 HydrophobicContact CE-CG 4.01Å; M532-L797 HydrophobicContact CG-CD2 3.35Å; M532-L797 HydrophobicContact SD-CD2 3.27Å; M532-L797 WeakPolarHBondContact SD-CD2 3.41Å; M532-L797 HydrophobicContact SD-CG 4.25Å; L752-L797 HydrophobicContact CD1-CD1 3.31Å; Q756-L797 HydrophobicContact CG-CD1 4.2Å; Q756-L797 HydrophobicContact CG-CD2 4.48Å; I759-L797 HydrophobicContact CD1-CD2 4.39Å; I759-L797 HydrophobicContact CG2-CD2 3.95Å; D793-L797 WeakPolarHBondContact O-CG 3.31Å; D793-L797 PolarHBondContact O-N 2.72Å; K794-L797 PolarHBondContact O-N 3.01Å; L797-G799 VanDerWaalsContact C-N 3.34Å; L797-G799 PolarHBondContact O-N 3.48Å; L797-K800 PolarHBondContact O-N 3.45Å; L797-M801 PolarHBondContact O-N 2.97Å; L797-M801 VanDerWaalsContact O-N 3.09Å
798I86.8Confident77Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..Hα-helixtrans-62.8-44-179.9-65.9168.7000110.2L781 L784 K785 K794 D796 K800 M801 E802L781-I798 HydrophobicContact CB-CG2 4.27Å; L781-I798 HydrophobicContact CD2-CG2 4.5Å; L784-I798 HydrophobicContact CB-CD1 3.96Å; K785-I798 HydrophobicContact CB-CD1 4.1Å; K785-I798 HydrophobicContact CB-CG2 4.43Å; K785-I798 HydrophobicContact CD-CG2 4.44Å; K794-I798 VanDerWaalsContact O-CG1 3.31Å; K794-I798 WeakPolarHBondContact O-CG1 3.29Å; K794-I798 PolarHBondContact O-N 3.01Å; D796-I798 PolarHBondContact O-N 3.15Å; I798-K800 VanDerWaalsContact C-N 3.31Å; I798-K800 PolarHBondContact O-N 3.02Å; I798-M801 HydrophobicContact CG1-CE 4.41Å; I798-M801 PolarHBondContact O-N 3.08Å; I798-E802 HydrophobicContact CG2-CG 4.4Å; I798-E802 WeakPolarHBondContact O-CG 3.46Å; I798-E802 PolarHBondContact O-N 2.72Å
799G85.8Confident77.3Confident25 Ų2562 Ų6226%0.25833%0.328SS..Hα-helixtrans-58.6-41176.600000112.8K795 D796 L797 E802 T803K795-G799 PolarHBondContact O-N 3.24Å; D796-G799 PolarHBondContact O-N 3.37Å; L797-G799 VanDerWaalsContact C-N 3.34Å; L797-G799 PolarHBondContact O-N 3.48Å; G799-E802 WeakPolarHBondContact O-CB 3.47Å; G799-E802 PolarHBondContact O-N 3.37Å; G799-T803 PolarHBondContact O-N 3.01Å; G799-T803 PolarHBondContact O-OG1 2.66Å
800K86Confident78.4Confident34 Ų3459.9 Ų59.915%0.14831%0.309CS..Hα-helixtrans-64.4-43.1176.2-76.2161.3176.8175.50112.5P527 R528 M532 I759 D796 L797 I798 T803 M804P527-K800 HydrophobicContact CB-CB 3.8Å; P527-K800 HydrophobicContact CB-CD 3.89Å; P527-K800 HydrophobicContact CB-CG 3.81Å; P527-K800 HydrophobicContact CG-CB 4.22Å; R528-K800 WeakPolarHBondContact O-CE 3.44Å; R528-K800 PolarHBondContact O-NZ 3.15Å; M532-K800 HydrophobicContact CE-CD 3.6Å; M532-K800 HydrophobicContact SD-CD 3.65Å; I759-K800 HydrophobicContact CD1-CB 3.92Å; D796-K800 VanDerWaalsContact CG-NZ 3.34Å; D796-K800 WeakPolarHBondContact O-CG 3.26Å; D796-K800 PolarHBondContact O-N 2.99Å; D796-K800 VanDerWaalsContact OD1-CE 3.22Å; D796-K800 WeakPolarHBondContact OD1-CE 3.26Å; D796-K800 IonicContact OD1-NZ 3.87Å; D796-K800 PolarHBondContact OD1-NZ 3.37Å; D796-K800 WeakPolarHBondContact OD2-CE 3.44Å; D796-K800 IonicContact OD2-NZ 3.08Å; D796-K800 PolarHBondContact OD2-NZ 2.74Å; L797-K800 PolarHBondContact O-N 3.45Å; I798-K800 VanDerWaalsContact C-N 3.31Å; I798-K800 PolarHBondContact O-N 3.02Å; K800-T803 WeakPolarHBondContact O-CB 3.4Å; K800-T803 PolarHBondContact O-N 3.21Å; K800-T803 VanDerWaalsContact O-N 3.16Å; K800-M804 WeakPolarHBondContact O-CG 3.33Å; K800-M804 PolarHBondContact O-N 3.29Å
801M90.5Very high79.7Confident0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-64.6-40.7174.3-66.7-172.8-85.800111.9L758 I759 M762 L781 L797 I798 T803 M804 L805L758-M801 HydrophobicContact CB-SD 3.76Å; I759-M801 HydrophobicContact CB-CG 3.85Å; I759-M801 HydrophobicContact CB-SD 3.85Å; I759-M801 HydrophobicContact CD1-CG 3.76Å; I759-M801 HydrophobicContact CG1-CG 3.98Å; M762-M801 HydrophobicContact CE-CB 3.88Å; M762-M801 HydrophobicContact CE-CG 3.42Å; M762-M801 VanDerWaalsContact CE-CG 3.42Å; M762-M801 HydrophobicContact CE-SD 3.46Å; M762-M801 WeakPolarHBondContact CE-SD 3.29Å; L781-M801 HydrophobicContact CD1-CB 3.84Å; L781-M801 HydrophobicContact CD2-CB 4.08Å; L781-M801 HydrophobicContact CD2-CE 3.63Å; L781-M801 HydrophobicContact CD2-SD 3.86Å; L797-M801 PolarHBondContact O-N 2.97Å; L797-M801 VanDerWaalsContact O-N 3.09Å; I798-M801 HydrophobicContact CG1-CE 4.41Å; I798-M801 PolarHBondContact O-N 3.08Å; M801-T803 VanDerWaalsContact C-N 3.26Å; M801-T803 PolarHBondContact O-N 2.93Å; M801-M804 WeakPolarHBondContact O-CB 3.48Å; M801-M804 PolarHBondContact O-N 3.3Å; M801-L805 WeakPolarHBondContact O-CG 3.31Å; M801-L805 PolarHBondContact O-N 3.47Å
802E90.3Very high80.6Confident53 Ų5353.6 Ų53.625%0.24828%0.277CS..Hα-helixtrans-59.7-37172-71.2174.8-177.200111.2L781 K785 I798 G799 K806L781-E802 HydrophobicContact CD1-CG 4.24Å; K785-E802 IonicContact NZ-OE1 3.82Å; K785-E802 PolarHBondContact NZ-OE1 3.28Å; K785-E802 IonicContact NZ-OE2 3.38Å; K785-E802 PolarHBondContact NZ-OE2 3.02Å; I798-E802 HydrophobicContact CG2-CG 4.4Å; I798-E802 WeakPolarHBondContact O-CG 3.46Å; I798-E802 PolarHBondContact O-N 2.72Å; G799-E802 WeakPolarHBondContact O-CB 3.47Å; G799-E802 PolarHBondContact O-N 3.37Å; E802-K806 VanDerWaalsContact O-CG 3.26Å; E802-K806 WeakPolarHBondContact O-CG 3.28Å; E802-K806 PolarHBondContact O-N 3.21Å
803T87Confident81.9Confident73 Ų7346.8 Ų46.845%0.44825%0.249SC..Hα-helixtrans-67.1-42.4173.9-56.10000112.3P524 G799 K800 M801 K806 A807P524-T803 HydrophobicContact CB-CG2 3.99Å; G799-T803 PolarHBondContact O-N 3.01Å; G799-T803 PolarHBondContact O-OG1 2.66Å; K800-T803 WeakPolarHBondContact O-CB 3.4Å; K800-T803 PolarHBondContact O-N 3.21Å; K800-T803 VanDerWaalsContact O-N 3.16Å; M801-T803 VanDerWaalsContact C-N 3.26Å; M801-T803 PolarHBondContact O-N 2.93Å; T803-K806 PolarHBondContact O-N 3.4Å; T803-A807 PolarHBondContact O-N 3.06Å
804M88.8Confident83.1Confident0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-57.7-49.3175.1-69168.391.200111.3P524 F525 P527 I759 M762 V769 K800 M801 K806 A807P524-M804 WeakPolarHBondContact O-CG 2.99Å; F525-M804 WeakPolarHBondContact O-CE 3.33Å; P527-M804 HydrophobicContact CG-CE 4.47Å; P527-M804 HydrophobicContact CG-CG 4.4Å; P527-M804 HydrophobicContact CG-SD 3.82Å; I759-M804 HydrophobicContact CD1-SD 4.29Å; I759-M804 HydrophobicContact CG1-SD 4.04Å; M762-M804 HydrophobicContact CB-CE 3.45Å; M762-M804 VanDerWaalsContact CB-CE 3.45Å; M762-M804 HydrophobicContact CB-SD 4.32Å; M762-M804 HydrophobicContact CE-SD 4.33Å; M762-M804 VanDerWaalsContact O-CE 3.25Å; M762-M804 WeakPolarHBondContact O-CE 3.33Å; V769-M804 HydrophobicContact CG1-CB 3.94Å; V769-M804 WeakPolarHBondContact CG1-O 3.39Å; V769-M804 HydrophobicContact CG2-CE 4.03Å; K800-M804 WeakPolarHBondContact O-CG 3.33Å; K800-M804 PolarHBondContact O-N 3.29Å; M801-M804 WeakPolarHBondContact O-CB 3.48Å; M801-M804 PolarHBondContact O-N 3.3Å; M804-K806 VanDerWaalsContact C-N 3.31Å; M804-K806 PolarHBondContact O-N 3.26Å; M804-A807 WeakPolarHBondContact O-CB 3.36Å; M804-A807 PolarHBondContact O-N 3.27Å; M804-A807 VanDerWaalsContact O-N 3.14Å
805L89.6Confident84Confident1 Ų147.3 Ų47.31%0.00525%0.253CS..Hα-helixtrans-64-36.1-178.7-67.3174.8000112.6V769 A772 K773 L777 E778 L781 M801V769-L805 HydrophobicContact CG1-CD2 4.12Å; A772-L805 HydrophobicContact CB-CD2 3.87Å; K773-L805 HydrophobicContact CB-CD2 4.03Å; K773-L805 PolarHBondContact NZ-O 3.44Å; L777-L805 HydrophobicContact CB-CD1 4.29Å; L777-L805 HydrophobicContact CD2-CD1 4.25Å; L777-L805 HydrophobicContact CD2-CD2 4.41Å; L777-L805 HydrophobicContact CG-CD1 4.31Å; E778-L805 HydrophobicContact CG-CD1 3.8Å; L781-L805 HydrophobicContact CD1-CD1 3.66Å; M801-L805 WeakPolarHBondContact O-CG 3.31Å; M801-L805 PolarHBondContact O-N 3.47Å
806K88.2Confident84.7Confident128 Ų12843.1 Ų43.156%0.55724%0.238SC*.Hα-helixtrans-69.8-30.7174.4-74.2172-174.8172.90112.9E802 T803 M804 V808 D809E802-K806 VanDerWaalsContact O-CG 3.26Å; E802-K806 WeakPolarHBondContact O-CG 3.28Å; E802-K806 PolarHBondContact O-N 3.21Å; T803-K806 PolarHBondContact O-N 3.4Å; M804-K806 VanDerWaalsContact C-N 3.31Å; M804-K806 PolarHBondContact O-N 3.26Å; K806-V808 PolarHBondContact O-N 3.18Å; K806-D809 WeakPolarHBondContact O-CB 3.44Å; K806-D809 PolarHBondContact O-N 2.93Å
807A80.3Confident85.2Confident34 Ų3441.9 Ų41.928%0.28123%0.232SC..THydrogen-bonded Turntrans-72.3-8.6179.400000114.1P524 F525 T803 M804P524-A807 HydrophobicContact CB-CB 3.53Å; P524-A807 HydrophobicContact CG-CB 3.35Å; F525-A807 HydrophobicContact CE1-CB 4.07Å; F525-A807 HydrophobicContact CE2-CB 4.09Å; F525-A807 HydrophobicContact CZ-CB 3.66Å; F525-A807 WeakPolarHBondContact CZ-O 3.39Å; T803-A807 PolarHBondContact O-N 3.06Å; M804-A807 WeakPolarHBondContact O-CB 3.36Å; M804-A807 PolarHBondContact O-N 3.27Å; M804-A807 VanDerWaalsContact O-N 3.14Å
808V80.4Confident85.4Confident25 Ų2545.3 Ų45.315%0.15225%0.251CS..THydrogen-bonded Turntrans-86.4-13.6172.6-174.90000112.2F525 Y766 V769 K770 K806F525-V808 HydrophobicContact CE1-CG2 3.69Å; F525-V808 HydrophobicContact CZ-CG2 4.06Å; Y766-V808 HydrophobicContact CE2-CG1 4.19Å; Y766-V808 HydrophobicContact CE2-CG2 4.25Å; V769-V808 HydrophobicContact CB-CG2 4.01Å; V769-V808 HydrophobicContact CG1-CG2 3.53Å; K770-V808 HydrophobicContact CB-CG1 3.9Å; K770-V808 HydrophobicContact CG-CG1 3.98Å; K806-V808 PolarHBondContact O-N 3.18Å
809D71.2Confident85.3Confident170 Ų17049.4 Ų49.491%0.90927%0.273SS*.  trans-74.20168.2-67.2-41.2000110.9K773 K806K773-D809 IonicContact NZ-OD1 3.89Å; K773-D809 PolarHBondContact NZ-OD1 3.45Å; K773-D809 IonicContact NZ-OD2 3.94Å; K773-D809 PolarHBondContact NZ-OD2 2.9Å; K806-D809 WeakPolarHBondContact O-CB 3.44Å; K806-D809 PolarHBondContact O-N 2.93Å

Retrieved 809 of 809 residues in 1242.9 ms (Link to these results)

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