A0A077ZE59_TRITR Loading...

Asparaginase 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 348 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
1M53Low84.7Confident198 Ų19851.9 Ų51.998%0.97529%0.293SS*.  01480-73.9178.9-179.500108.2
2A64.1Low85.8Confident80 Ų8047.6 Ų47.666%0.66127%0.269SS*.  trans-63.3138.3171.100000109.5Q190A2-Q190 PolarHBondContact O-NE2 3.36Å
3T71.1Confident86.6Confident105 Ų10543.9 Ų43.964%0.64425%0.248SC*.  trans-65.9133.5173.648.50000109.3N188T3-N188 WeakPolarHBondContact CA-O 3.29Å
4K77.3Confident87.3Confident58 Ų5840.8 Ų40.825%0.25223%0.23SC..  trans-113.1147.2174.4-69-173.7179.7164.60110I6 N188 Q190 Y297K4-I6 HydrophobicContact CB-CD1 4.26Å; K4-I6 HydrophobicContact CB-CG1 3.98Å; K4-I6 HydrophobicContact CB-CG2 4.01Å; K4-I6 PolarHBondContact O-N 3.48Å; K4-N188 PolarHBondContact N-O 2.82Å; K4-N188 VanDerWaalsContact N-O 3.17Å; K4-N188 WeakPolarHBondContact O-CA 3.36Å; K4-N188 WeakPolarHBondContact O-CB 3.17Å; K4-Q190 HydrophobicContact CD-CG 4.11Å; K4-Q190 VanDerWaalsContact CE-OE1 3.31Å; K4-Q190 HydrophobicContact CG-CG 4.46Å; K4-Y297 WeakPolarHBondContact CD-OH 3.25Å; K4-Y297 WeakPolarHBondContact CE-OH 3.38Å; K4-Y297 PolarHBondContact NZ-OH 3.23Å
5D85.5Confident87.7Confident111 Ų11138.2 Ų38.259%0.59422%0.216SC*.SBendtrans-80.248.5177.8-77.7-24.2000112.6K322D5-K322 HydrophobicContact CB-CD 4.08Å; D5-K322 WeakPolarHBondContact OD1-CE 3.27Å; D5-K322 IonicContact OD1-NZ 3.56Å; D5-K322 PolarHBondContact OD1-NZ 2.92Å
6I92.3Very high88Confident13 Ų1336.3 Ų36.37%0.06721%0.208CC..  trans-106.115.1-175.462.9171.4000113.1K4 F8 V186 Q190 I228 Y297 L304K4-I6 HydrophobicContact CB-CD1 4.26Å; K4-I6 HydrophobicContact CB-CG1 3.98Å; K4-I6 HydrophobicContact CB-CG2 4.01Å; K4-I6 PolarHBondContact O-N 3.48Å; I6-F8 PolarHBondContact O-N 3.36Å; I6-F8 VanDerWaalsContact O-N 3.11Å; I6-V186 HydrophobicContact CD1-CG1 3.78Å; I6-V186 HydrophobicContact CG1-CG1 4.09Å; I6-Q190 HydrophobicContact CD1-CB 4.45Å; I6-Q190 HydrophobicContact CD1-CG 3.71Å; I6-I228 HydrophobicContact CD1-CD1 3.84Å; I6-Y297 HydrophobicContact CD1-CD2 4.45Å; I6-Y297 HydrophobicContact CD1-CG 4.43Å; I6-Y297 HydrophobicContact CG2-CD2 4.17Å; I6-Y297 HydrophobicContact CG2-CE2 3.85Å; I6-L304 HydrophobicContact CB-CD1 4.33Å
7D96.1Very high88Confident4 Ų441.3 Ų41.32%0.02122%0.223CC..  trans-54.4122177.9-68.6-46.6000109.8L41 V186 D187 N188 W320 S321 K322D7-L41 HydrophobicContact CB-CB 4.16Å; D7-L41 HydrophobicContact CB-CD1 4.22Å; D7-V186 WeakPolarHBondContact CA-O 3.49Å; D7-D187 WeakPolarHBondContact OD1-CA 3.36Å; D7-N188 PolarHBondContact OD1-N 3.18Å; D7-W320 HydrophobicContact CB-CH2 4.36Å; D7-W320 HydrophobicContact CB-CZ3 3.93Å; D7-S321 WeakPolarHBondContact O-CA 3.46Å; D7-K322 HydrophobicContact CB-CB 4.26Å; D7-K322 PolarHBondContact O-N 3.44Å; D7-K322 IonicContact OD2-NZ 2.67Å
8F97.4Very high88.1Confident2 Ų239.6 Ų39.61%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-143.5140.9-173.8-179.4-89000110.1I6 A10 L41 I184 S185 V186 V295 L304 F306 F319 W320I6-F8 PolarHBondContact O-N 3.36Å; I6-F8 VanDerWaalsContact O-N 3.11Å; F8-A10 HydrophobicContact CE1-CB 3.6Å; F8-A10 HydrophobicContact CZ-CB 3.76Å; F8-L41 VanDerWaalsContact O-CD1 3.29Å; F8-L41 WeakPolarHBondContact O-CD1 3.3Å; F8-I184 HydrophobicContact CE1-CD1 4.41Å; F8-I184 HydrophobicContact CE1-CG1 4.44Å; F8-S185 CarbonylContact O-C 3.5Å; F8-S185 WeakPolarHBondContact O-CA 3.47Å; F8-S185 WeakPolarHBondContact O-CB 3.43Å; F8-V186 HydrophobicContact CB-CB 4.24Å; F8-V186 PolarHBondContact N-O 3.11Å; F8-V186 PolarHBondContact O-N 3.48Å; F8-V295 HydrophobicContact CD1-CB 4.01Å; F8-V295 HydrophobicContact CD1-CG1 4.36Å; F8-V295 HydrophobicContact CD1-CG2 3.7Å; F8-V295 HydrophobicContact CE1-CB 3.91Å; F8-V295 HydrophobicContact CE1-CG2 3.93Å; F8-V295 HydrophobicContact CG-CG2 4.16Å; F8-L304 HydrophobicContact CB-CD1 3.82Å; F8-L304 HydrophobicContact CB-CD2 4.35Å; F8-L304 HydrophobicContact CD2-CD2 3.55Å; F8-L304 HydrophobicContact CE2-CD2 3.99Å; F8-L304 HydrophobicContact CG-CD1 4.23Å; F8-L304 HydrophobicContact CG-CD2 3.92Å; F8-F306 AromaticContact CE1-CD2 3.91Å; F8-F306 HydrophobicContact CE1-CD2 3.91Å; F8-F306 HydrophobicContact CE1-CG 4.36Å; F8-F306 HydrophobicContact CE2-CB 3.81Å; F8-F306 HydrophobicContact CE2-CD2 4.48Å; F8-F306 HydrophobicContact CE2-CG 4.11Å; F8-F306 HydrophobicContact CZ-CB 3.55Å; F8-F306 HydrophobicContact CZ-CD1 4.2Å; F8-F306 AromaticContact CZ-CD2 3.42Å; F8-F306 HydrophobicContact CZ-CD2 3.42Å; F8-F306 VanDerWaalsContact CZ-CD2 3.42Å; F8-F306 HydrophobicContact CZ-CE2 4.17Å; F8-F306 AromaticContact CZ-CG 3.44Å; F8-F306 HydrophobicContact CZ-CG 3.44Å; F8-F306 VanDerWaalsContact CZ-CG 3.44Å; F8-F319 HydrophobicContact CE2-CB 4.08Å; F8-F319 AromaticContact CE2-CD2 3.83Å; F8-F319 HydrophobicContact CE2-CD2 3.83Å; F8-F319 HydrophobicContact CE2-CG 4.31Å; F8-F319 HydrophobicContact CZ-CB 3.79Å; F8-F319 HydrophobicContact CZ-CD2 4.36Å; F8-F319 HydrophobicContact CZ-CG 4.39Å; F8-W320 WeakPolarHBondContact CA-O 3.43Å
9V98.3Very high88.1Confident0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-141.6138.1166.856.70000110.1A38 L41 I184 S185 F319 W320V9-A38 HydrophobicContact CG1-CB 4Å; V9-L41 HydrophobicContact CB-CD1 4.14Å; V9-L41 HydrophobicContact CG1-CD1 4.38Å; V9-I184 CarbonylContact C-O 3.11Å; V9-I184 WeakPolarHBondContact CA-O 3.35Å; V9-S185 WeakPolarHBondContact CG2-OG 3.34Å; V9-F319 CarbonylContact O-C 3.56Å; V9-F319 WeakPolarHBondContact O-CA 3.26Å; V9-W320 HydrophobicContact CG1-CB 3.96Å; V9-W320 HydrophobicContact CG1-CE3 4.19Å; V9-W320 PolarHBondContact N-O 3.3Å; V9-W320 PolarHBondContact O-N 3.08Å
10A98.5Very high88Confident0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-133151.4166.900000111.3F8 S183 I184 I293 F306 C318 F319F8-A10 HydrophobicContact CE1-CB 3.6Å; F8-A10 HydrophobicContact CZ-CB 3.76Å; A10-S183 CarbonylContact O-C 3.49Å; A10-S183 VanDerWaalsContact O-CA 3.26Å; A10-S183 WeakPolarHBondContact O-CA 3.47Å; A10-S183 PolarHBondContact O-OG 3.07Å; A10-I184 HydrophobicContact CB-CD1 4.19Å; A10-I184 HydrophobicContact CB-CG1 3.85Å; A10-I184 PolarHBondContact N-O 2.61Å; A10-I184 PolarHBondContact O-N 2.78Å; A10-I293 HydrophobicContact CB-CD1 4.22Å; A10-F306 HydrophobicContact CB-CD2 4Å; A10-F306 HydrophobicContact CB-CE1 4.41Å; A10-F306 HydrophobicContact CB-CE2 3.36Å; A10-F306 HydrophobicContact CB-CZ 3.59Å; A10-C318 CarbonylContact C-O 3.51Å; A10-C318 VanDerWaalsContact CA-O 3.25Å; A10-C318 WeakPolarHBondContact CA-O 3.39Å; A10-F319 HydrophobicContact CB-CB 3.74Å
11V98.7Very high88Confident0 Ų052.4 Ų52.40%027%0.268CS..EExtended strand (participates in β ladder)trans-131.6153.1177.4-56.10000110.2C30 A33 C34 A54 L58 G182 V317 C318V11-C30 HydrophobicContact CG2-CB 3.97Å; V11-C30 WeakPolarHBondContact CG2-O 3.44Å; V11-A33 HydrophobicContact CG1-CB 4.27Å; V11-A33 HydrophobicContact CG2-CB 4.33Å; V11-C34 HydrophobicContact CG1-CB 4.41Å; V11-C34 HydrophobicContact CG2-CB 4.04Å; V11-A54 HydrophobicContact CG1-CB 3.77Å; V11-L58 HydrophobicContact CB-CD1 4.25Å; V11-G182 VanDerWaalsContact CA-O 3.27Å; V11-G182 WeakPolarHBondContact CA-O 3.48Å; V11-V317 WeakPolarHBondContact O-CA 3.31Å; V11-C318 HydrophobicContact CG2-CB 4Å; V11-C318 PolarHBondContact N-O 3.11Å; V11-C318 PolarHBondContact O-N 3.26Å
12H98Very high89.7Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-126.7149.6163.171.285.2000111.2G14 T180 V181 G182 S232 I293 F315 P316 V317H12-G14 WeakPolarHBondContact ND1-CA 3.11Å; H12-G14 PolarHBondContact ND1-N 3.34Å; H12-G14 VanDerWaalsContact ND1-N 3.15Å; H12-T180 PolarHBondContact CE1-O 2.99Å; H12-T180 PolarHBondContact ND1-O 3.27Å; H12-V181 VanDerWaalsContact CE1-C 3.49Å; H12-G182 PolarHBondContact CE1-N 2.71Å; H12-G182 VanDerWaalsContact CE1-N 3.34Å; H12-G182 PolarHBondContact N-O 3.03Å; H12-G182 WeakPolarHBondContact NE2-CA 3.26Å; H12-G182 PolarHBondContact NE2-N 2.67Å; H12-G182 PolarHBondContact O-N 3.34Å; H12-S232 PolarHBondContact NE2-OG 3.13Å; H12-I293 HydrophobicContact CB-CD1 4.33Å; H12-I293 HydrophobicContact CB-CG2 4.14Å; H12-F315 HydrophobicContact CB-CD2 4.28Å; H12-F315 HydrophobicContact CB-CE2 3.41Å; H12-F315 VanDerWaalsContact CB-CE2 3.41Å; H12-F315 HydrophobicContact CB-CZ 3.75Å; H12-F315 AromaticContact CG-CE2 3.66Å; H12-F315 AromaticContact CG-CZ 3.91Å; H12-F315 AromaticContact ND1-CE2 3.82Å; H12-P316 VanDerWaalsContact CA-O 3.3Å; H12-P316 WeakPolarHBondContact CA-O 3.26Å; H12-V317 HydrophobicContact CB-CG2 4.23Å
13A96.3Very high91.1Very high0 Ų041.4 Ų41.40%020%0.201CC..  trans-93.70.2169.600000113.4Y18 I26 C30 T64 D179 P316A13-Y18 PolarHBondContact O-OH 3.39Å; A13-I26 HydrophobicContact CB-CD1 3.44Å; A13-I26 VanDerWaalsContact CB-CD1 3.44Å; A13-I26 HydrophobicContact CB-CG1 3.31Å; A13-C30 VanDerWaalsContact CB-SG 3.59Å; A13-T64 HydrophobicContact CB-CG2 4.12Å; A13-D179 WeakPolarHBondContact O-CB 3.37Å; A13-P316 HydrophobicContact CB-CB 4.29Å; A13-P316 HydrophobicContact CB-CG 4.41Å; A13-P316 PolarHBondContact N-O 2.97Å
14G95.5Very high92.1Very high0 Ų044.9 Ų44.90%021%0.207CC..  trans108.7152.5176.400000113.6H12 Y18 D179 T180 S234 F315 P316H12-G14 WeakPolarHBondContact ND1-CA 3.11Å; H12-G14 PolarHBondContact ND1-N 3.34Å; H12-G14 VanDerWaalsContact ND1-N 3.15Å; G14-Y18 PolarHBondContact O-OH 2.67Å; G14-D179 VanDerWaalsContact CA-OD1 3.23Å; G14-D179 WeakPolarHBondContact CA-OD1 3.48Å; G14-T180 WeakPolarHBondContact CA-O 3.45Å; G14-T180 PolarHBondContact N-O 3.23Å; G14-S234 WeakPolarHBondContact CA-OG 3.36Å; G14-F315 VanDerWaalsContact C-CD2 3.45Å; G14-F315 WeakPolarHBondContact O-CD2 3.31Å; G14-P316 WeakPolarHBondContact O-CD 3.37Å
15A93.9Very high92.9Very high2 Ų243.3 Ų43.32%0.01721%0.208CC..SBendtrans-91.3109.4178.700000112D179 S234 H310 S312 F315A15-D179 WeakPolarHBondContact CA-OD1 3.44Å; A15-D179 VanDerWaalsContact N-CG 3.34Å; A15-D179 PolarHBondContact N-OD1 2.85Å; A15-S234 PolarHBondContact N-OG 3.2Å; A15-H310 HydrophobicContact CB-CB 3.98Å; A15-S312 VanDerWaalsContact C-CB 3.48Å; A15-S312 WeakPolarHBondContact CA-OG 3.41Å; A15-S312 WeakPolarHBondContact CB-OG 3.2Å; A15-F315 HydrophobicContact CB-CB 4.27Å; A15-F315 HydrophobicContact CB-CD2 3.68Å; A15-F315 HydrophobicContact CB-CE2 4.03Å; A15-F315 HydrophobicContact CB-CG 3.99Å
16G91.6Very high93.4Very high8 Ų838 Ų388%0.08218%0.18CC..BIsolated β-bridgetrans-166.8-145-176.100000113.9D179 S312 V314G16-D179 PolarHBondContact N-OD2 2.81Å; G16-S312 PolarHBondContact N-OG 3.2Å; G16-V314 PolarHBondContact N-O 3.18Å; G16-V314 PolarHBondContact O-N 2.97Å
17Y88.7Confident93.5Very high121 Ų12138.8 Ų38.848%0.47519%0.185SC..  trans-112.3130176.6177.7-95.1000111.2A313Y17-A313 HydrophobicContact CD2-CB 4.48Å
18Y89.8Confident93.5Very high10 Ų1046.3 Ų46.34%0.03922%0.217CC..  trans-127.3122.3179-66.9-99000109.5A13 G14 Q23 I26 D179 V314 P316A13-Y18 PolarHBondContact O-OH 3.39Å; G14-Y18 PolarHBondContact O-OH 2.67Å; Y18-Q23 PolarHBondContact O-NE2 3.08Å; Y18-I26 HydrophobicContact CD1-CB 4.12Å; Y18-I26 HydrophobicContact CD1-CG1 4.21Å; Y18-I26 HydrophobicContact CD1-CG2 3.89Å; Y18-I26 HydrophobicContact CE1-CB 4.02Å; Y18-I26 HydrophobicContact CE1-CD1 3.96Å; Y18-I26 HydrophobicContact CE1-CG1 3.6Å; Y18-I26 HydrophobicContact CE1-CG2 4.07Å; Y18-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y18-D179 PolarHBondContact OH-OD2 2.82Å; Y18-V314 HydrophobicContact CD2-CB 3.94Å; Y18-V314 HydrophobicContact CD2-CG1 3.9Å; Y18-V314 HydrophobicContact CG-CG1 4.49Å; Y18-P316 HydrophobicContact CD1-CG 4.46Å; Y18-P316 HydrophobicContact CD2-CG 4.09Å; Y18-P316 HydrophobicContact CE1-CG 4.07Å; Y18-P316 HydrophobicContact CE2-CG 3.68Å; Y18-P316 HydrophobicContact CG-CG 4.46Å
19S87.6Confident93.4Very high36 Ų3647.1 Ų47.125%0.25222%0.222SC..  trans-57.6151.1171.272.90000110.5R21 D22 Q23S19-R21 PolarHBondContact O-N 2.78Å; S19-D22 PolarHBondContact O-N 2.79Å; S19-D22 WeakPolarHBondContact OG-CB 3.47Å; S19-D22 PolarHBondContact OG-N 2.78Å; S19-D22 VanDerWaalsContact OG-N 3.13Å; S19-D22 PolarHBondContact OG-OD2 2.66Å; S19-Q23 WeakPolarHBondContact O-CG 3.39Å; S19-Q23 PolarHBondContact O-N 3.37Å
20N87.5Confident93.4Very high130 Ų13047.2 Ų47.270%0.69522%0.222SC*.Hα-helixtrans-54.3-31.5177.5-71.3-18.7000112.6Q23N20-Q23 PolarHBondContact OD1-NE2 3.24Å
21R86.7Confident93.4Very high222 Ų22251.8 Ų51.884%0.83824%0.242SC*.Hα-helixtrans-66.9-46.5173.9-176.7-179177.5179.41.4111.9S19S19-R21 PolarHBondContact O-N 2.78Å
22D89.7Confident93.3Very high28 Ų2858.1 Ų58.115%0.1527%0.269CS..Hα-helixtrans-72.3-30.9-178.6-68.1-38.1000112.4S19 K24 G25 I26 R155S19-D22 PolarHBondContact O-N 2.79Å; S19-D22 WeakPolarHBondContact OG-CB 3.47Å; S19-D22 PolarHBondContact OG-N 2.78Å; S19-D22 VanDerWaalsContact OG-N 3.13Å; S19-D22 PolarHBondContact OG-OD2 2.66Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.94Å; D22-G25 WeakPolarHBondContact O-CA 3.4Å; D22-G25 PolarHBondContact O-N 3.01Å; D22-I26 PolarHBondContact O-N 2.9Å; D22-R155 VanDerWaalsContact CG-NH1 3.28Å; D22-R155 IonicContact OD1-CZ 3.69Å; D22-R155 IonicContact OD1-NH1 3.46Å; D22-R155 PolarHBondContact OD1-NH1 2.8Å; D22-R155 IonicContact OD1-NH2 2.61Å; D22-R155 IonicContact OD2-CZ 2.63Å; D22-R155 IonicContact OD2-NH1 3.43Å; D22-R155 PolarHBondContact OD2-NH1 2.92Å; D22-R155 IonicContact OD2-NH2 3.17Å; D22-R155 PolarHBondContact OD2-NH2 2.87Å
23Q92.2Very high93.4Very high20 Ų2058.1 Ų58.19%0.09327%0.269CS..Hα-helixtrans-55.4-40.8180-75.2174.837.100112.5Y18 S19 N20 I26 V27 L331Y18-Q23 PolarHBondContact O-NE2 3.08Å; S19-Q23 WeakPolarHBondContact O-CG 3.39Å; S19-Q23 PolarHBondContact O-N 3.37Å; N20-Q23 PolarHBondContact OD1-NE2 3.24Å; Q23-I26 WeakPolarHBondContact O-CG2 3.34Å; Q23-V27 WeakPolarHBondContact O-CB 3.41Å; Q23-V27 WeakPolarHBondContact O-CG2 3.33Å; Q23-V27 PolarHBondContact O-N 2.98Å; Q23-V27 VanDerWaalsContact O-N 3.14Å; Q23-L331 HydrophobicContact CB-CD2 4.46Å; Q23-L331 HydrophobicContact CG-CD2 4.44Å
24K92.9Very high93.4Very high177 Ų17758.1 Ų58.177%0.7727%0.269SS*.Hα-helixtrans-65.7-40.4176.1-67.4-175.6-179.2-179.70112.1D22 K28D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.94Å; K24-K28 PolarHBondContact O-N 2.85Å
25G94.4Very high93.6Very high25 Ų2559.6 Ų59.626%0.25828%0.28SS..Hα-helixtrans-66.9-46.2179.100000112.4D22 K28 L29D22-G25 WeakPolarHBondContact O-CA 3.4Å; D22-G25 PolarHBondContact O-N 3.01Å; G25-K28 PolarHBondContact O-N 2.95Å; G25-L29 PolarHBondContact O-N 3.11Å
26I94.7Very high93.8Very high1 Ų161.3 Ų61.31%0.00529%0.288CS..Hα-helixtrans-66.5-39.9-178.3-155.671.4000111.7A13 Y18 D22 Q23 K28 L29 C30 L63 T64 P316A13-I26 HydrophobicContact CB-CD1 3.44Å; A13-I26 VanDerWaalsContact CB-CD1 3.44Å; A13-I26 HydrophobicContact CB-CG1 3.31Å; Y18-I26 HydrophobicContact CD1-CB 4.12Å; Y18-I26 HydrophobicContact CD1-CG1 4.21Å; Y18-I26 HydrophobicContact CD1-CG2 3.89Å; Y18-I26 HydrophobicContact CE1-CB 4.02Å; Y18-I26 HydrophobicContact CE1-CD1 3.96Å; Y18-I26 HydrophobicContact CE1-CG1 3.6Å; Y18-I26 HydrophobicContact CE1-CG2 4.07Å; D22-I26 PolarHBondContact O-N 2.9Å; Q23-I26 WeakPolarHBondContact O-CG2 3.34Å; I26-K28 PolarHBondContact O-N 3.01Å; I26-L29 HydrophobicContact CD1-CD2 3.96Å; I26-L29 WeakPolarHBondContact O-CB 3.37Å; I26-L29 PolarHBondContact O-N 2.9Å; I26-L29 VanDerWaalsContact O-N 3.15Å; I26-C30 PolarHBondContact O-N 3.33Å; I26-C30 PolarHBondContact O-SG 3.42Å; I26-C30 VanDerWaalsContact O-SG 3.38Å; I26-L63 HydrophobicContact CD1-CB 4.06Å; I26-T64 HydrophobicContact CD1-CG2 3.72Å; I26-P316 HydrophobicContact CG1-CB 4.24Å; I26-P316 HydrophobicContact CG1-CG 4.13Å; I26-P316 HydrophobicContact CG2-CB 3.84Å; I26-P316 HydrophobicContact CG2-CG 3.71Å
27V94.7Very high94.1Very high29 Ų2961 Ų6118%0.17629%0.285CS..Hα-helixtrans-62.9-42.4176.3168.60000111.3Q23 L29 K31 Q329 L331Q23-V27 WeakPolarHBondContact O-CB 3.41Å; Q23-V27 WeakPolarHBondContact O-CG2 3.33Å; Q23-V27 PolarHBondContact O-N 2.98Å; Q23-V27 VanDerWaalsContact O-N 3.14Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.17Å; V27-K31 PolarHBondContact O-N 3.3Å; V27-Q329 HydrophobicContact CG1-CB 4.28Å; V27-Q329 HydrophobicContact CG1-CG 3.94Å; V27-L331 HydrophobicContact CG2-CD1 4.1Å
28K96.1Very high94.5Very high162 Ų16255.5 Ų55.570%0.70426%0.264SS*.Hα-helixtrans-63.4-39.1174.8-174.3177.6179.6179.20111.5K24 G25 I26 K31 K32K24-K28 PolarHBondContact O-N 2.85Å; G25-K28 PolarHBondContact O-N 2.95Å; I26-K28 PolarHBondContact O-N 3.01Å; K28-K31 PolarHBondContact O-N 2.83Å; K28-K32 PolarHBondContact O-N 2.86Å
29L96.8Very high94.9Very high19 Ų1962.1 Ų62.110%0.09929%0.289CS..Hα-helixtrans-64-51.3176.9-179.568.7000111.7G25 I26 V27 K31 K32 A33 V57 L58 S61 L63 T64G25-L29 PolarHBondContact O-N 3.11Å; I26-L29 HydrophobicContact CD1-CD2 3.96Å; I26-L29 WeakPolarHBondContact O-CB 3.37Å; I26-L29 PolarHBondContact O-N 2.9Å; I26-L29 VanDerWaalsContact O-N 3.15Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.17Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 2.73Å; L29-K32 WeakPolarHBondContact O-CB 3.38Å; L29-K32 PolarHBondContact O-N 2.91Å; L29-A33 PolarHBondContact O-N 2.82Å; L29-V57 HydrophobicContact CD1-CG1 4.09Å; L29-L58 HydrophobicContact CD2-CD2 4.01Å; L29-L58 HydrophobicContact CG-CD2 3.94Å; L29-S61 VanDerWaalsContact CD2-CB 3.5Å; L29-S61 VanDerWaalsContact CD2-OG 3.28Å; L29-S61 WeakPolarHBondContact CD2-OG 3.34Å; L29-L63 HydrophobicContact CD2-CB 4.48Å; L29-T64 HydrophobicContact CD2-CG2 3.75Å
30C97.5Very high95.4Very high2 Ų263.1 Ų63.11%0.01429%0.29CS..Hα-helixtrans-57.3-41.3177-66.60000111.4V11 A13 I26 K32 A33 C34 C318V11-C30 HydrophobicContact CG2-CB 3.97Å; V11-C30 WeakPolarHBondContact CG2-O 3.44Å; A13-C30 VanDerWaalsContact CB-SG 3.59Å; I26-C30 PolarHBondContact O-N 3.33Å; I26-C30 PolarHBondContact O-SG 3.42Å; I26-C30 VanDerWaalsContact O-SG 3.38Å; C30-K32 VanDerWaalsContact C-N 3.33Å; C30-K32 PolarHBondContact O-N 2.98Å; C30-A33 PolarHBondContact O-N 2.88Å; C30-C34 VanDerWaalsContact O-CB 3.24Å; C30-C34 WeakPolarHBondContact O-CB 3.27Å; C30-C34 PolarHBondContact O-N 3.34Å; C30-C318 HydrophobicContact CB-CB 3.62Å
31K97.6Very high95.9Very high95 Ų9557 Ų5741%0.41326%0.258SS..Hα-helixtrans-59.1-44.5174.8-161.3-168.8-169.3168.40112V27 K28 L29 S35 T327V27-K31 PolarHBondContact O-N 3.3Å; K28-K31 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact C-N 3.26Å; L29-K31 PolarHBondContact O-N 2.73Å; K31-S35 VanDerWaalsContact O-CB 3.31Å; K31-S35 WeakPolarHBondContact O-CB 3.01Å; K31-S35 PolarHBondContact O-N 3.01Å; K31-S35 PolarHBondContact O-OG 3.32Å; K31-T327 WeakPolarHBondContact CE-OG1 3.45Å; K31-T327 VanDerWaalsContact CG-OG1 3.25Å; K31-T327 WeakPolarHBondContact CG-OG1 2.93Å
32K98.3Very high96.3Very high133 Ų13350.6 Ų50.658%0.57824%0.243SC*.Hα-helixtrans-63.5-49.7178.1-174.6-172.7173.4-170.50110.6K28 L29 C30 S35 I36 V57K28-K32 PolarHBondContact O-N 2.86Å; L29-K32 WeakPolarHBondContact O-CB 3.38Å; L29-K32 PolarHBondContact O-N 2.91Å; C30-K32 VanDerWaalsContact C-N 3.33Å; C30-K32 PolarHBondContact O-N 2.98Å; K32-S35 PolarHBondContact O-N 2.88Å; K32-I36 WeakPolarHBondContact O-CG1 3.39Å; K32-I36 PolarHBondContact O-N 3.02Å; K32-V57 HydrophobicContact CB-CG1 4.24Å; K32-V57 HydrophobicContact CD-CG1 3.85Å; K32-V57 HydrophobicContact CG-CG1 3.93Å
33A98.5Very high96.6Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-58.5-50.818000000111.7V11 L29 C30 S35 I36 G37 V57 L58V11-A33 HydrophobicContact CG1-CB 4.27Å; V11-A33 HydrophobicContact CG2-CB 4.33Å; L29-A33 PolarHBondContact O-N 2.82Å; C30-A33 PolarHBondContact O-N 2.88Å; A33-S35 VanDerWaalsContact C-N 3.34Å; A33-S35 PolarHBondContact O-N 2.88Å; A33-I36 PolarHBondContact O-N 3.45Å; A33-I36 VanDerWaalsContact O-N 3.12Å; A33-G37 PolarHBondContact O-N 2.92Å; A33-V57 HydrophobicContact CB-CB 3.91Å; A33-V57 HydrophobicContact CB-CG1 3.87Å; A33-L58 HydrophobicContact CB-CD1 4.4Å; A33-L58 HydrophobicContact CB-CD2 3.75Å; A33-L58 HydrophobicContact CB-CG 3.85Å
34C98Very high96.8Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-61-40.6177.4-173.80000112.2V11 C30 I36 G37 A38 C318 F319 W320 T327V11-C34 HydrophobicContact CG1-CB 4.41Å; V11-C34 HydrophobicContact CG2-CB 4.04Å; C30-C34 VanDerWaalsContact O-CB 3.24Å; C30-C34 WeakPolarHBondContact O-CB 3.27Å; C30-C34 PolarHBondContact O-N 3.34Å; C34-I36 VanDerWaalsContact C-N 3.3Å; C34-I36 PolarHBondContact O-N 2.73Å; C34-G37 PolarHBondContact O-N 3.29Å; C34-A38 WeakPolarHBondContact O-CB 3.31Å; C34-A38 PolarHBondContact O-N 3.15Å; C34-C318 HydrophobicContact CB-CB 4.14Å; C34-F319 WeakPolarHBondContact SG-CA 3.39Å; C34-W320 PolarHBondContact SG-N 3.16Å; C34-T327 HydrophobicContact CB-CG2 3.95Å
35S98Very high97Very high31 Ų3151.4 Ų51.422%0.21727%0.271CS..Hα-helixtrans-65.9-30.8176.5-560000113K31 K32 A33 R39 T327K31-S35 VanDerWaalsContact O-CB 3.31Å; K31-S35 WeakPolarHBondContact O-CB 3.01Å; K31-S35 PolarHBondContact O-N 3.01Å; K31-S35 PolarHBondContact O-OG 3.32Å; K32-S35 PolarHBondContact O-N 2.88Å; A33-S35 VanDerWaalsContact C-N 3.34Å; A33-S35 PolarHBondContact O-N 2.88Å; S35-R39 WeakPolarHBondContact O-CG 3.26Å; S35-R39 PolarHBondContact O-N 2.96Å; S35-T327 VanDerWaalsContact OG-CG2 3.31Å; S35-T327 WeakPolarHBondContact OG-CG2 3.33Å
36I98.6Very high97.2Very high39 Ų3952.9 Ų52.920%0.228%0.276CS..Hα-helixtrans-74.5-42.1176.1-70.3-64.8000110.8K32 A33 C34 R39 Q40 A53 V57K32-I36 WeakPolarHBondContact O-CG1 3.39Å; K32-I36 PolarHBondContact O-N 3.02Å; A33-I36 PolarHBondContact O-N 3.45Å; A33-I36 VanDerWaalsContact O-N 3.12Å; C34-I36 VanDerWaalsContact C-N 3.3Å; C34-I36 PolarHBondContact O-N 2.73Å; I36-R39 PolarHBondContact O-N 3.29Å; I36-Q40 PolarHBondContact O-N 2.81Å; I36-A53 HydrophobicContact CG2-CB 3.82Å; I36-V57 HydrophobicContact CB-CG2 4.07Å; I36-V57 HydrophobicContact CG1-CG2 3.95Å; I36-V57 HydrophobicContact CG2-CG2 4.11Å
37G98.5Very high97.4Very high0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-59.6-47.1172.200000111.9A33 C34 R39 Q40 L41 S50A33-G37 PolarHBondContact O-N 2.92Å; C34-G37 PolarHBondContact O-N 3.29Å; G37-R39 VanDerWaalsContact C-N 3.26Å; G37-R39 PolarHBondContact O-N 2.86Å; G37-Q40 WeakPolarHBondContact O-CA 3.49Å; G37-Q40 VanDerWaalsContact O-CB 3.3Å; G37-Q40 WeakPolarHBondContact O-CB 3.24Å; G37-Q40 PolarHBondContact O-N 3.01Å; G37-L41 PolarHBondContact O-N 3.36Å; G37-S50 WeakPolarHBondContact CA-OG 3.36Å; G37-S50 PolarHBondContact O-OG 3.28Å
38A97.6Very high97.5Very high6 Ų651.7 Ų51.75%0.0527%0.269CS..Hα-helixtrans-56.2-39.7177.700000112.4V9 C34 Q40 L41 T42 W320V9-A38 HydrophobicContact CG1-CB 4Å; C34-A38 WeakPolarHBondContact O-CB 3.31Å; C34-A38 PolarHBondContact O-N 3.15Å; A38-Q40 VanDerWaalsContact C-N 3.28Å; A38-Q40 PolarHBondContact O-N 2.87Å; A38-L41 PolarHBondContact O-N 3.5Å; A38-T42 WeakPolarHBondContact O-CG2 3.22Å; A38-T42 PolarHBondContact O-N 3.35Å; A38-T42 PolarHBondContact O-OG1 3.08Å; A38-W320 HydrophobicContact CB-CB 4.11Å; A38-W320 HydrophobicContact CB-CD2 3.4Å; A38-W320 HydrophobicContact CB-CE3 3.64Å; A38-W320 HydrophobicContact CB-CG 3.61Å; A38-W320 HydrophobicContact CB-CZ2 4.42Å; A38-W320 HydrophobicContact CB-CZ3 4.24Å
39R97.6Very high97.7Very high149 Ų14946 Ų4656%0.56225%0.246SC*.Hα-helixtrans-62.7-33.4175.9-75.8-179.9-135.7174.2-0.9113.1S35 I36 G37 T42 S43S35-R39 WeakPolarHBondContact O-CG 3.26Å; S35-R39 PolarHBondContact O-N 2.96Å; I36-R39 PolarHBondContact O-N 3.29Å; G37-R39 VanDerWaalsContact C-N 3.26Å; G37-R39 PolarHBondContact O-N 2.86Å; R39-T42 WeakPolarHBondContact CA-OG1 3.12Å; R39-T42 PolarHBondContact O-OG1 3.18Å; R39-T42 VanDerWaalsContact O-OG1 3.11Å; R39-S43 VanDerWaalsContact O-CB 3.32Å; R39-S43 WeakPolarHBondContact O-CB 3.46Å; R39-S43 PolarHBondContact O-N 3.32Å; R39-S43 VanDerWaalsContact O-N 3.12Å; R39-S43 PolarHBondContact O-OG 2.98Å
40Q98.2Very high97.8Very high58 Ų5845.1 Ų45.127%0.27124%0.242SC..Hα-helixtrans-63.2-51.5175.1-59.2-57-45.800109.7I36 G37 A38 T42 S43 G44 K45 A53I36-Q40 PolarHBondContact O-N 2.81Å; G37-Q40 WeakPolarHBondContact O-CA 3.49Å; G37-Q40 VanDerWaalsContact O-CB 3.3Å; G37-Q40 WeakPolarHBondContact O-CB 3.24Å; G37-Q40 PolarHBondContact O-N 3.01Å; A38-Q40 VanDerWaalsContact C-N 3.28Å; A38-Q40 PolarHBondContact O-N 2.87Å; Q40-T42 PolarHBondContact O-N 3.29Å; Q40-S43 CarbonylContact O-C 3.57Å; Q40-S43 WeakPolarHBondContact O-CA 3.33Å; Q40-S43 WeakPolarHBondContact O-CB 3.31Å; Q40-S43 PolarHBondContact O-N 2.9Å; Q40-G44 PolarHBondContact O-N 2.73Å; Q40-K45 HydrophobicContact CB-CB 4.06Å; Q40-K45 VanDerWaalsContact O-CB 3.28Å; Q40-K45 WeakPolarHBondContact O-CB 3.49Å; Q40-K45 PolarHBondContact O-N 2.9Å; Q40-A53 HydrophobicContact CG-CB 3.65Å
41L97.3Very high97.8Very high2 Ų245.1 Ų45.11%0.0124%0.241CC..Hα-helixtrans-58.7-48.5178.8-59.9176.5000111.8D7 F8 V9 G37 A38 S43 G44 D187 W320D7-L41 HydrophobicContact CB-CB 4.16Å; D7-L41 HydrophobicContact CB-CD1 4.22Å; F8-L41 VanDerWaalsContact O-CD1 3.29Å; F8-L41 WeakPolarHBondContact O-CD1 3.3Å; V9-L41 HydrophobicContact CB-CD1 4.14Å; V9-L41 HydrophobicContact CG1-CD1 4.38Å; G37-L41 PolarHBondContact O-N 3.36Å; A38-L41 PolarHBondContact O-N 3.5Å; L41-S43 PolarHBondContact O-N 3.2Å; L41-S43 VanDerWaalsContact O-N 3.11Å; L41-G44 PolarHBondContact O-N 2.88Å; L41-D187 HydrophobicContact CD2-CB 4.05Å; L41-W320 HydrophobicContact CD1-CZ3 4.3Å
42T95.2Very high97.9Very high87 Ų8741.3 Ų41.353%0.53423%0.226SC..Hα-helixtrans-64.8-19.5178.658.90000113.5A38 R39 Q40 G44 W320A38-T42 WeakPolarHBondContact O-CG2 3.22Å; A38-T42 PolarHBondContact O-N 3.35Å; A38-T42 PolarHBondContact O-OG1 3.08Å; R39-T42 WeakPolarHBondContact CA-OG1 3.12Å; R39-T42 PolarHBondContact O-OG1 3.18Å; R39-T42 VanDerWaalsContact O-OG1 3.11Å; Q40-T42 PolarHBondContact O-N 3.29Å; T42-G44 VanDerWaalsContact C-N 3.28Å; T42-W320 HydrophobicContact CG2-CH2 3.58Å; T42-W320 HydrophobicContact CG2-CZ2 3.76Å
43S96.2Very high97.9Very high87 Ų8735.9 Ų35.961%0.60821%0.206SC*.THydrogen-bonded Turntrans-89.38.2174.3-52.60000112.6R39 Q40 L41 K45R39-S43 VanDerWaalsContact O-CB 3.32Å; R39-S43 WeakPolarHBondContact O-CB 3.46Å; R39-S43 PolarHBondContact O-N 3.32Å; R39-S43 VanDerWaalsContact O-N 3.12Å; R39-S43 PolarHBondContact O-OG 2.98Å; Q40-S43 CarbonylContact O-C 3.57Å; Q40-S43 WeakPolarHBondContact O-CA 3.33Å; Q40-S43 WeakPolarHBondContact O-CB 3.31Å; Q40-S43 PolarHBondContact O-N 2.9Å; L41-S43 PolarHBondContact O-N 3.2Å; L41-S43 VanDerWaalsContact O-N 3.11Å; S43-K45 VanDerWaalsContact C-N 3.35Å
44G95.7Very high97.9Very high54 Ų5435.9 Ų35.956%0.55721%0.206SC*.THydrogen-bonded Turntrans7519.7-179.400000114.3Q40 L41 T42Q40-G44 PolarHBondContact O-N 2.73Å; L41-G44 PolarHBondContact O-N 2.88Å; T42-G44 VanDerWaalsContact C-N 3.28Å
45K97.9Very high98Very high101 Ų10135.9 Ų35.944%0.43921%0.206SC..  trans-83.1148.6175.3-62.8-65.4-172.8177.20110.8Q40 S43 D49Q40-K45 HydrophobicContact CB-CB 4.06Å; Q40-K45 VanDerWaalsContact O-CB 3.28Å; Q40-K45 WeakPolarHBondContact O-CB 3.49Å; Q40-K45 PolarHBondContact O-N 2.9Å; S43-K45 VanDerWaalsContact C-N 3.35Å; K45-D49 HydrophobicContact CB-CB 4.05Å
46P97.8Very high98Very high56 Ų5634.9 Ų34.936%0.36420%0.198SC..  trans-65.9159.6-178.528.7-36.4000112.2I48 D49 S50 D187P46-I48 HydrophobicContact CB-CG2 4.18Å; P46-I48 HydrophobicContact CG-CG2 3.96Å; P46-I48 PolarHBondContact O-N 2.93Å; P46-D49 HydrophobicContact CG-CB 4.36Å; P46-D49 PolarHBondContact O-N 3.18Å; P46-S50 PolarHBondContact O-N 3.11Å; P46-D187 WeakPolarHBondContact CA-OD2 3.36Å
47A98.5Very high98Very high1 Ų133.8 Ų33.81%0.00819%0.194CC..Hα-helixtrans-50.8-36.9-178.700000113.3D49 S50 C51 S185 D187 A193A47-D49 PolarHBondContact O-N 3.24Å; A47-S50 WeakPolarHBondContact O-CB 3.33Å; A47-S50 PolarHBondContact O-N 3.27Å; A47-C51 PolarHBondContact O-N 3.38Å; A47-S185 WeakPolarHBondContact O-CB 3.28Å; A47-D187 HydrophobicContact CB-CB 4.07Å; A47-D187 PolarHBondContact N-OD2 2.83Å; A47-A193 HydrophobicContact CB-CB 4Å
48I98.7Very high98Very high3 Ų333.8 Ų33.82%0.01519%0.194CC..Hα-helixtrans-64-37.5179.5-168161.7000113.3P46 S50 C51 V52 L84 D86 K109 L112 A193P46-I48 HydrophobicContact CB-CG2 4.18Å; P46-I48 HydrophobicContact CG-CG2 3.96Å; P46-I48 PolarHBondContact O-N 2.93Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-C51 PolarHBondContact O-N 3.45Å; I48-V52 VanDerWaalsContact O-CG2 3.28Å; I48-V52 WeakPolarHBondContact O-CG2 3.37Å; I48-V52 PolarHBondContact O-N 2.93Å; I48-L84 HydrophobicContact CD1-CD1 3.24Å; I48-L84 HydrophobicContact CG1-CD1 3.56Å; I48-D86 HydrophobicContact CD1-CB 3.73Å; I48-K109 HydrophobicContact CD1-CD 3.58Å; I48-K109 HydrophobicContact CG1-CD 3.73Å; I48-K109 VanDerWaalsContact CG1-CE 3.49Å; I48-L112 HydrophobicContact CD1-CD1 4.06Å; I48-L112 HydrophobicContact CD1-CD2 4.24Å; I48-A193 VanDerWaalsContact CA-CB 3.41Å; I48-A193 HydrophobicContact CB-CB 3.85Å; I48-A193 HydrophobicContact CG1-CB 4.35Å
49D98.7Very high98.1Very high44 Ų4433.5 Ų33.524%0.23519%0.191CC..Hα-helixtrans-70.4-35.8178.3-73.80.7000110.4K45 P46 A47 V52 A53K45-D49 HydrophobicContact CB-CB 4.05Å; P46-D49 HydrophobicContact CG-CB 4.36Å; P46-D49 PolarHBondContact O-N 3.18Å; A47-D49 PolarHBondContact O-N 3.24Å; D49-V52 PolarHBondContact O-N 3.35Å; D49-A53 VanDerWaalsContact O-CB 3.27Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 2.81Å
50S98.8Very high98.1Very high0 Ų029.6 Ų29.60%018%0.182CC..Hα-helixtrans-58.7-50.6170.9171.50000111.6G37 P46 A47 I48 V52 A53 A54 S185G37-S50 WeakPolarHBondContact CA-OG 3.36Å; G37-S50 PolarHBondContact O-OG 3.28Å; P46-S50 PolarHBondContact O-N 3.11Å; A47-S50 WeakPolarHBondContact O-CB 3.33Å; A47-S50 PolarHBondContact O-N 3.27Å; I48-S50 VanDerWaalsContact C-N 3.34Å; S50-V52 PolarHBondContact O-N 2.81Å; S50-A53 PolarHBondContact O-N 2.92Å; S50-A54 WeakPolarHBondContact O-CB 3.24Å; S50-A54 PolarHBondContact O-N 2.93Å; S50-S185 WeakPolarHBondContact CB-OG 3.39Å; S50-S185 PolarHBondContact OG-OG 3.39Å
51C98.8Very high98Very high1 Ų127.5 Ų27.51%0.00717%0.173CC..Hα-helixtrans-59.9-47177.7-75.90000112.2A47 I48 A53 A54 T55 I184 S185 A193A47-C51 PolarHBondContact O-N 3.38Å; I48-C51 PolarHBondContact O-N 3.45Å; C51-A53 PolarHBondContact O-N 2.88Å; C51-A54 PolarHBondContact O-N 2.99Å; C51-T55 WeakPolarHBondContact O-CB 3.41Å; C51-T55 PolarHBondContact O-N 3.45Å; C51-T55 PolarHBondContact O-OG1 2.82Å; C51-I184 VanDerWaalsContact SG-C 3.55Å; C51-S185 PolarHBondContact SG-N 3.22Å; C51-S185 VanDerWaalsContact SG-N 3.39Å; C51-S185 PolarHBondContact SG-OG 3.2Å; C51-A193 HydrophobicContact CB-CB 4.49Å; C51-A193 PolarHBondContact SG-O 3.11Å
52V98.9Very high97.9Very high16 Ų1629.7 Ų29.710%0.09719%0.188CC..Hα-helixtrans-60.6-47.6178.4171.20000110.8I48 D49 S50 A54 T55 V56 I105 R106 K109I48-V52 VanDerWaalsContact O-CG2 3.28Å; I48-V52 WeakPolarHBondContact O-CG2 3.37Å; I48-V52 PolarHBondContact O-N 2.93Å; D49-V52 PolarHBondContact O-N 3.35Å; S50-V52 PolarHBondContact O-N 2.81Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.11Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.3Å; V52-V56 PolarHBondContact O-N 2.84Å; V52-I105 HydrophobicContact CG1-CG2 4.39Å; V52-I105 HydrophobicContact CG2-CG1 4.39Å; V52-R106 HydrophobicContact CG1-CG 4.1Å; V52-K109 HydrophobicContact CG2-CB 3.8Å; V52-K109 HydrophobicContact CG2-CD 4.33Å; V52-K109 HydrophobicContact CG2-CG 3.98Å
53A98.9Very high97.9Very high18 Ų1828 Ų2815%0.14918%0.175CC..Hα-helixtrans-64.6-39.1-178.800000112.3I36 Q40 D49 S50 C51 V57I36-A53 HydrophobicContact CG2-CB 3.82Å; Q40-A53 HydrophobicContact CG-CB 3.65Å; D49-A53 VanDerWaalsContact O-CB 3.27Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 2.81Å; S50-A53 PolarHBondContact O-N 2.92Å; C51-A53 PolarHBondContact O-N 2.88Å; A53-V57 PolarHBondContact O-N 2.91Å
54A98.9Very high97.8Very high0 Ų024.2 Ų24.20%015%0.148CC..Hα-helixtrans-66.8-46.3175.300000111.9V11 S50 C51 V52 V56 V57 L58V11-A54 HydrophobicContact CG1-CB 3.77Å; S50-A54 WeakPolarHBondContact O-CB 3.24Å; S50-A54 PolarHBondContact O-N 2.93Å; C51-A54 PolarHBondContact O-N 2.99Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.11Å; A54-V56 PolarHBondContact O-N 3.04Å; A54-V57 WeakPolarHBondContact O-CB 3.43Å; A54-V57 PolarHBondContact O-N 3.33Å; A54-L58 PolarHBondContact O-N 2.96Å
55T98.9Very high97.8Very high0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-63.7-38.1178.6-60.60000112.2C51 V52 V57 L58 E59 I105 V181 S195C51-T55 WeakPolarHBondContact O-CB 3.41Å; C51-T55 PolarHBondContact O-N 3.45Å; C51-T55 PolarHBondContact O-OG1 2.82Å; V52-T55 PolarHBondContact O-N 2.87Å; T55-V57 VanDerWaalsContact C-N 3.28Å; T55-V57 PolarHBondContact O-N 2.97Å; T55-L58 CarbonylContact O-C 3.48Å; T55-L58 WeakPolarHBondContact O-CA 2.81Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.46Å; T55-E59 HydrophobicContact CG2-CG 4.11Å; T55-E59 WeakPolarHBondContact O-CG 3.43Å; T55-E59 PolarHBondContact O-N 2.86Å; T55-I105 HydrophobicContact CG2-CB 3.81Å; T55-I105 HydrophobicContact CG2-CD1 4.35Å; T55-I105 HydrophobicContact CG2-CG1 3.84Å; T55-I105 HydrophobicContact CG2-CG2 3.87Å; T55-V181 HydrophobicContact CG2-CG2 4.35Å; T55-S195 PolarHBondContact OG1-OG 3.08Å
56V98.9Very high97.8Very high10 Ų1017.3 Ų17.36%0.06110%0.103CC..Hα-helixtrans-56-42.8174.6165.30000111.7V52 A54 L58 E59 D60 N103 I105 R106V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.3Å; V52-V56 PolarHBondContact O-N 2.84Å; A54-V56 PolarHBondContact O-N 3.04Å; V56-L58 PolarHBondContact O-N 2.89Å; V56-E59 PolarHBondContact O-N 3.46Å; V56-D60 WeakPolarHBondContact O-CB 3.25Å; V56-D60 PolarHBondContact O-N 2.75Å; V56-N103 HydrophobicContact CG2-CB 4.18Å; V56-I105 HydrophobicContact CG2-CG2 3.76Å; V56-R106 HydrophobicContact CG2-CG 3.78Å
57V98.8Very high97.8Very high16 Ų1614.7 Ų14.710%0.0979%0.086CC..Hα-helixtrans-62-35177.9175.30000111.6L29 K32 A33 I36 A53 A54 T55L29-V57 HydrophobicContact CD1-CG1 4.09Å; K32-V57 HydrophobicContact CB-CG1 4.24Å; K32-V57 HydrophobicContact CD-CG1 3.85Å; K32-V57 HydrophobicContact CG-CG1 3.93Å; A33-V57 HydrophobicContact CB-CB 3.91Å; A33-V57 HydrophobicContact CB-CG1 3.87Å; I36-V57 HydrophobicContact CB-CG2 4.07Å; I36-V57 HydrophobicContact CG1-CG2 3.95Å; I36-V57 HydrophobicContact CG2-CG2 4.11Å; A53-V57 PolarHBondContact O-N 2.91Å; A54-V57 WeakPolarHBondContact O-CB 3.43Å; A54-V57 PolarHBondContact O-N 3.33Å; T55-V57 VanDerWaalsContact C-N 3.28Å; T55-V57 PolarHBondContact O-N 2.97Å
58L98.5Very high97.7Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-72.6-48.4176.6-58.4170.2000110.2V11 L29 A33 A54 T55 V56 D60 S61 T64 V181V11-L58 HydrophobicContact CB-CD1 4.25Å; L29-L58 HydrophobicContact CD2-CD2 4.01Å; L29-L58 HydrophobicContact CG-CD2 3.94Å; A33-L58 HydrophobicContact CB-CD1 4.4Å; A33-L58 HydrophobicContact CB-CD2 3.75Å; A33-L58 HydrophobicContact CB-CG 3.85Å; A54-L58 PolarHBondContact O-N 2.96Å; T55-L58 CarbonylContact O-C 3.48Å; T55-L58 WeakPolarHBondContact O-CA 2.81Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.46Å; V56-L58 PolarHBondContact O-N 2.89Å; L58-D60 PolarHBondContact O-N 3.49Å; L58-S61 WeakPolarHBondContact O-CB 3.31Å; L58-S61 PolarHBondContact O-N 3.11Å; L58-T64 PolarHBondContact O-OG1 2.94Å; L58-V181 HydrophobicContact CB-CB 3.96Å; L58-V181 HydrophobicContact CB-CG1 4.1Å; L58-V181 HydrophobicContact CB-CG2 3.78Å; L58-V181 HydrophobicContact CD1-CB 3.82Å; L58-V181 HydrophobicContact CD1-CG2 4.14Å; L58-V181 HydrophobicContact CG-CB 4.43Å
59E98.5Very high97.6Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-59.3-27.6177.4-72.6-179.5158.400114T55 V56 S61 A66 G67 F68 N103 I105 S197T55-E59 HydrophobicContact CG2-CG 4.11Å; T55-E59 WeakPolarHBondContact O-CG 3.43Å; T55-E59 PolarHBondContact O-N 2.86Å; V56-E59 PolarHBondContact O-N 3.46Å; E59-S61 VanDerWaalsContact C-N 3.25Å; E59-S61 PolarHBondContact O-N 2.78Å; E59-A66 WeakPolarHBondContact CA-O 3.45Å; E59-A66 HydrophobicContact CG-CB 4.36Å; E59-G67 CarbonylContact O-C 3.54Å; E59-F68 PolarHBondContact O-N 3.05Å; E59-N103 WeakPolarHBondContact OE2-CA 3.4Å; E59-N103 VanDerWaalsContact OE2-CB 3.27Å; E59-N103 WeakPolarHBondContact OE2-CB 3.2Å; E59-I105 WeakPolarHBondContact OE1-CB 3.35Å; E59-I105 PolarHBondContact OE1-N 3.19Å; E59-I105 VanDerWaalsContact OE1-N 3.11Å; E59-I105 WeakPolarHBondContact OE2-CG2 3.32Å; E59-S197 WeakPolarHBondContact OE1-CB 3.4Å; E59-S197 PolarHBondContact OE1-OG 3.3Å
60D98.5Very high97.5Very high68 Ų6815 Ų1536%0.3649%0.087SC..THydrogen-bonded Turntrans-78.7-7.6178.4-76.5-21.5000113.6V56 L58 K102 N103V56-D60 WeakPolarHBondContact O-CB 3.25Å; V56-D60 PolarHBondContact O-N 2.75Å; L58-D60 PolarHBondContact O-N 3.49Å; D60-K102 WeakPolarHBondContact OD1-CE 3.41Å; D60-K102 IonicContact OD1-NZ 2.73Å; D60-N103 PolarHBondContact OD1-ND2 2.85Å
61S96.6Very high97.3Very high13 Ų1315.8 Ų15.89%0.0919%0.091CC..  trans-102.1128.5-172.3178.70000112.8L29 L58 E59 L63 T64 F68L29-S61 VanDerWaalsContact CD2-CB 3.5Å; L29-S61 VanDerWaalsContact CD2-OG 3.28Å; L29-S61 WeakPolarHBondContact CD2-OG 3.34Å; L58-S61 WeakPolarHBondContact O-CB 3.31Å; L58-S61 PolarHBondContact O-N 3.11Å; E59-S61 VanDerWaalsContact C-N 3.25Å; E59-S61 PolarHBondContact O-N 2.78Å; S61-L63 PolarHBondContact O-N 2.92Å; S61-L63 WeakPolarHBondContact OG-CB 3.37Å; S61-L63 PolarHBondContact OG-N 3.01Å; S61-T64 PolarHBondContact O-N 2.99Å; S61-T64 PolarHBondContact O-OG1 3Å; S61-F68 CarbonylContact C-O 3.58Å
62P94.8Very high97.2Very high49 Ų4915.7 Ų15.732%0.3189%0.091SC..THydrogen-bonded Turntrans-73.92.6174.634.3-37.1000113.2T64 F68 R155P62-T64 VanDerWaalsContact C-N 3.34Å; P62-F68 HydrophobicContact CB-CD1 4.08Å; P62-F68 HydrophobicContact CB-CE1 3.7Å; P62-F68 HydrophobicContact CB-CZ 4.47Å; P62-F68 HydrophobicContact CG-CD1 4.45Å; P62-F68 HydrophobicContact CG-CE1 3.94Å; P62-R155 WeakPolarHBondContact O-CD 3.35Å
63L93.7Very high97.1Very high52 Ų5215 Ų1527%0.2729%0.086SC..THydrogen-bonded Turntrans-83-14.9175.6-62.1179.5000112.7I26 L29 S61I26-L63 HydrophobicContact CD1-CB 4.06Å; L29-L63 HydrophobicContact CD2-CB 4.48Å; S61-L63 PolarHBondContact O-N 2.92Å; S61-L63 WeakPolarHBondContact OG-CB 3.37Å; S61-L63 PolarHBondContact OG-N 3.01Å
64T95.1Very high96.9Very high6 Ų618.1 Ų18.14%0.03710%0.101CC..SBendtrans-114.1156.6-176.843.10000110.6A13 I26 L29 L58 S61 P62 A66 V181A13-T64 HydrophobicContact CB-CG2 4.12Å; I26-T64 HydrophobicContact CD1-CG2 3.72Å; L29-T64 HydrophobicContact CD2-CG2 3.75Å; L58-T64 PolarHBondContact O-OG1 2.94Å; S61-T64 PolarHBondContact O-N 2.99Å; S61-T64 PolarHBondContact O-OG1 3Å; P62-T64 VanDerWaalsContact C-N 3.34Å; T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.9Å; T64-V181 HydrophobicContact CG2-CG1 3.59Å
65N95.8Very high96.8Very high11 Ų1123.3 Ų23.36%0.05913%0.125CC..SBendtrans-9461.8172.2173.444.7000109.8S70 N71 D179 S198 G199 G200N65-S70 WeakPolarHBondContact OD1-CA 3.46Å; N65-N71 PolarHBondContact ND2-ND2 3.15Å; N65-N71 VanDerWaalsContact ND2-ND2 3.15Å; N65-N71 VanDerWaalsContact OD1-CB 3.29Å; N65-N71 WeakPolarHBondContact OD1-CB 3.13Å; N65-N71 VanDerWaalsContact OD1-CG 3.25Å; N65-N71 PolarHBondContact OD1-N 2.94Å; N65-N71 PolarHBondContact OD1-ND2 3.06Å; N65-D179 WeakPolarHBondContact CB-O 3.39Å; N65-S198 CarbonylContact O-C 3.59Å; N65-S198 WeakPolarHBondContact O-CA 3.29Å; N65-G199 PolarHBondContact O-N 2.9Å; N65-G199 WeakPolarHBondContact OD1-CA 3.44Å; N65-G200 PolarHBondContact ND2-O 3.06Å
66A97Very high96.7Very high0 Ų026.2 Ų26.20%014%0.138CC..SBendtrans-153.6137.8175.300000109.2E59 T64 F68 V181E59-A66 WeakPolarHBondContact CA-O 3.45Å; E59-A66 HydrophobicContact CG-CB 4.36Å; T64-A66 VanDerWaalsContact C-N 3.29Å; T64-A66 PolarHBondContact O-N 2.9Å; A66-F68 PolarHBondContact O-N 2.97Å; A66-V181 HydrophobicContact CB-CB 4.3Å; A66-V181 HydrophobicContact CB-CG1 3.92Å; A66-V181 HydrophobicContact CB-CG2 3.48Å; A66-V181 VanDerWaalsContact CB-CG2 3.48Å
67G97.7Very high96.6Very high0 Ų030 Ų300%015%0.154CC..SBendtrans59.8-127.1-177.700000112.7E59 G69 S70 M151E59-G67 CarbonylContact O-C 3.54Å; G67-G69 PolarHBondContact O-N 3.03Å; G67-S70 PolarHBondContact N-OG 3.43Å; G67-S70 VanDerWaalsContact N-OG 3.15Å; G67-S70 WeakPolarHBondContact O-CB 3.34Å; G67-S70 PolarHBondContact O-N 3.39Å; G67-S70 PolarHBondContact O-OG 2.89Å; G67-M151 VanDerWaalsContact C-CE 3.43Å
68F97.7Very high96.6Very high48 Ų4829.4 Ų29.421%0.21115%0.15CC..THydrogen-bonded Turntrans-66.7125.2-179.9170.6-114000111.7E59 S61 P62 A66 T150 M151E59-F68 PolarHBondContact O-N 3.05Å; S61-F68 CarbonylContact C-O 3.58Å; P62-F68 HydrophobicContact CB-CD1 4.08Å; P62-F68 HydrophobicContact CB-CE1 3.7Å; P62-F68 HydrophobicContact CB-CZ 4.47Å; P62-F68 HydrophobicContact CG-CD1 4.45Å; P62-F68 HydrophobicContact CG-CE1 3.94Å; A66-F68 PolarHBondContact O-N 2.97Å; F68-T150 WeakPolarHBondContact CD2-O 3.42Å; F68-T150 VanDerWaalsContact CE2-O 3.23Å; F68-T150 WeakPolarHBondContact CE2-O 3.19Å; F68-M151 WeakPolarHBondContact CD2-O 3.5Å
69G95.5Very high96.6Very high7 Ų730.6 Ų30.67%0.07216%0.156CC..THydrogen-bonded Turntrans84.313.2-177.200000114.4G67 M151 S153 S156G67-G69 PolarHBondContact O-N 3.03Å; G69-M151 PolarHBondContact N-O 2.94Å; G69-S153 WeakPolarHBondContact CA-OG 3.49Å; G69-S156 WeakPolarHBondContact O-CB 3.25Å
70S96.6Very high96.6Very high0 Ų030.7 Ų30.70%016%0.156CC..PPolyproline II helixtrans-51.7157167.6-70.50000113.2N65 G67 C80 S156 G199N65-S70 WeakPolarHBondContact OD1-CA 3.46Å; G67-S70 PolarHBondContact N-OG 3.43Å; G67-S70 VanDerWaalsContact N-OG 3.15Å; G67-S70 WeakPolarHBondContact O-CB 3.34Å; G67-S70 PolarHBondContact O-N 3.39Å; G67-S70 PolarHBondContact O-OG 2.89Å; S70-C80 PolarHBondContact OG-SG 2.8Å; S70-S156 VanDerWaalsContact O-CB 3.25Å; S70-S156 WeakPolarHBondContact O-CB 3.44Å; S70-G199 WeakPolarHBondContact OG-CA 3.42Å
71N95.3Very high96.6Very high16 Ų1627.4 Ų27.49%0.08614%0.139CC..PPolyproline II helixtrans-55143.1171-79.4-20.9000110.7N65 G200 L202N65-N71 PolarHBondContact ND2-ND2 3.15Å; N65-N71 VanDerWaalsContact ND2-ND2 3.15Å; N65-N71 VanDerWaalsContact OD1-CB 3.29Å; N65-N71 WeakPolarHBondContact OD1-CB 3.13Å; N65-N71 VanDerWaalsContact OD1-CG 3.25Å; N65-N71 PolarHBondContact OD1-N 2.94Å; N65-N71 PolarHBondContact OD1-ND2 3.06Å; N71-G200 PolarHBondContact ND2-O 2.89Å; N71-L202 HydrophobicContact CB-CB 4.39Å; N71-L202 HydrophobicContact CB-CD1 4.21Å
72L96.3Very high96.7Very high0 Ų026.8 Ų26.80%014%0.135CC..BIsolated β-bridgetrans-92.7138.5-178.9-51.8-175.8000110E76 K77 V78 I152 F160 L203L72-E76 HydrophobicContact CD1-CG 3.56Å; L72-K77 WeakPolarHBondContact CA-O 3.29Å; L72-V78 HydrophobicContact CD2-CG2 3.51Å; L72-I152 HydrophobicContact CD1-CG2 4.07Å; L72-I152 HydrophobicContact CD2-CG1 3.95Å; L72-I152 HydrophobicContact CD2-CG2 4.11Å; L72-F160 HydrophobicContact CB-CB 4.3Å; L72-F160 HydrophobicContact CB-CD2 3.61Å; L72-F160 HydrophobicContact CB-CE2 4.06Å; L72-F160 HydrophobicContact CB-CG 4.06Å; L72-F160 HydrophobicContact CD1-CB 3.83Å; L72-F160 HydrophobicContact CD1-CD1 4.36Å; L72-F160 HydrophobicContact CD1-CD2 4.4Å; L72-F160 HydrophobicContact CD1-CG 3.98Å; L72-F160 HydrophobicContact CG-CB 4.31Å; L72-F160 HydrophobicContact CG-CD2 4.48Å; L72-F160 HydrophobicContact CG-CG 4.48Å; L72-L203 PolarHBondContact O-N 3.2Å
73N96.4Very high96.9Very high0 Ų024.5 Ų24.50%012%0.119CC..  trans-75.3178.3170.670.215.8000110.8E75 E76 K77 E79 F160 K204N73-E75 PolarHBondContact O-N 2.87Å; N73-E75 VanDerWaalsContact O-N 3.08Å; N73-E75 WeakPolarHBondContact OD1-CA 3.36Å; N73-E75 WeakPolarHBondContact OD1-CB 3.35Å; N73-E75 PolarHBondContact OD1-N 2.77Å; N73-E76 PolarHBondContact O-N 2.95Å; N73-K77 VanDerWaalsContact CG-O 3.32Å; N73-K77 PolarHBondContact N-O 2.94Å; N73-K77 WeakPolarHBondContact OD1-CB 3.26Å; N73-K77 PolarHBondContact OD1-N 3.19Å; N73-K77 PolarHBondContact OD1-O 3.01Å; N73-E79 PolarHBondContact ND2-OE2 3.01Å; N73-F160 WeakPolarHBondContact O-CE2 3.39Å; N73-K204 CarbonylContact C-O 3.59Å; N73-K204 VanDerWaalsContact CA-O 3.25Å; N73-K204 WeakPolarHBondContact CA-O 3.26Å; N73-K204 HydrophobicContact CB-CG 3.71Å; N73-K204 WeakPolarHBondContact CB-O 3.21Å
74L95.3Very high97.1Very high85 Ų8522.1 Ų22.145%0.44511%0.107SC..THydrogen-bonded Turntrans-58.2-21.6-178.8-70.4170.7000114.3E76 L203 K204 E205L74-E76 VanDerWaalsContact C-N 3.31Å; L74-E76 PolarHBondContact O-N 3.34Å; L74-L203 HydrophobicContact CD2-CB 3.97Å; L74-K204 PolarHBondContact N-O 3.14Å; L74-E205 VanDerWaalsContact CD1-CD 3.49Å; L74-E205 HydrophobicContact CD1-CG 4.4Å; L74-E205 VanDerWaalsContact CD1-OE1 3.27Å; L74-E205 WeakPolarHBondContact CD1-OE1 3.49Å
75E96.7Very high97.3Very high108 Ų10821.8 Ų21.851%0.50511%0.105SC..THydrogen-bonded Turntrans-89.813.2175.7-62.3-176.4178.600113.6N73 K77 P206N73-E75 PolarHBondContact O-N 2.87Å; N73-E75 VanDerWaalsContact O-N 3.08Å; N73-E75 WeakPolarHBondContact OD1-CA 3.36Å; N73-E75 WeakPolarHBondContact OD1-CB 3.35Å; N73-E75 PolarHBondContact OD1-N 2.77Å; E75-K77 HydrophobicContact CB-CD 4.09Å; E75-K77 HydrophobicContact CB-CG 4.26Å; E75-K77 PolarHBondContact O-N 2.85Å; E75-K77 WeakPolarHBondContact OE2-CD 3.38Å; E75-K77 WeakPolarHBondContact OE2-CE 3.15Å; E75-K77 IonicContact OE2-NZ 3.63Å; E75-K77 PolarHBondContact OE2-NZ 3.38Å; E75-P206 HydrophobicContact CB-CG 4.43Å; E75-P206 HydrophobicContact CG-CG 3.68Å
76E96.6Very high97.4Very high61 Ų6121.7 Ų21.729%0.28510%0.104SC..SBendtrans58.827.5-173.2-159.3-178.6157.800112.8L72 N73 L74 I152 R157 F160L72-E76 HydrophobicContact CD1-CG 3.56Å; N73-E76 PolarHBondContact O-N 2.95Å; L74-E76 VanDerWaalsContact C-N 3.31Å; L74-E76 PolarHBondContact O-N 3.34Å; E76-I152 VanDerWaalsContact O-CD1 3.26Å; E76-I152 WeakPolarHBondContact O-CD1 3.24Å; E76-R157 WeakPolarHBondContact OE1-CG 3.38Å; E76-R157 IonicContact OE1-CZ 2.87Å; E76-R157 IonicContact OE1-NE 2.77Å; E76-R157 PolarHBondContact OE1-NE 2.99Å; E76-F160 HydrophobicContact CB-CD1 4.45Å; E76-F160 HydrophobicContact CB-CE1 3.77Å; E76-F160 HydrophobicContact CB-CZ 3.91Å; E76-F160 HydrophobicContact CG-CD1 3.84Å; E76-F160 HydrophobicContact CG-CE1 3.63Å; E76-F160 HydrophobicContact CG-CZ 4.2Å
77K98Very high97.5Very high91 Ų9122.1 Ų22.140%0.39611%0.107SC..  trans-107.5150.5-180-65.7171.1-171.5164.60112L72 N73 E75L72-K77 WeakPolarHBondContact CA-O 3.29Å; N73-K77 VanDerWaalsContact CG-O 3.32Å; N73-K77 PolarHBondContact N-O 2.94Å; N73-K77 WeakPolarHBondContact OD1-CB 3.26Å; N73-K77 PolarHBondContact OD1-N 3.19Å; N73-K77 PolarHBondContact OD1-O 3.01Å; E75-K77 HydrophobicContact CB-CD 4.09Å; E75-K77 HydrophobicContact CB-CG 4.26Å; E75-K77 PolarHBondContact O-N 2.85Å; E75-K77 WeakPolarHBondContact OE2-CD 3.38Å; E75-K77 WeakPolarHBondContact OE2-CE 3.15Å; E75-K77 IonicContact OE2-NZ 3.63Å; E75-K77 PolarHBondContact OE2-NZ 3.38Å
78V98Very high97.4Very high3 Ų324.5 Ų24.52%0.01812%0.124CC..BIsolated β-bridgetrans-84132.9167.8166.30000109.2L72 C80 R99 M151 I152L72-V78 HydrophobicContact CD2-CG2 3.51Å; V78-C80 WeakPolarHBondContact CG1-SG 3.34Å; V78-R99 WeakPolarHBondContact O-CA 3.41Å; V78-R99 VanDerWaalsContact O-CB 3.3Å; V78-R99 WeakPolarHBondContact O-CB 3.31Å; V78-M151 HydrophobicContact CB-CB 3.97Å; V78-M151 HydrophobicContact CG1-CB 3.99Å; V78-M151 HydrophobicContact CG1-CE 4.5Å; V78-M151 HydrophobicContact CG2-CB 4.19Å; V78-I152 HydrophobicContact CG2-CG1 4.06Å
79E98.3Very high97.2Very high25 Ų2525 Ų2512%0.11714%0.144CC..  trans-134122.7166.1-78.3178.2148.800107.9N73 V98 K204 P206 G207N73-E79 PolarHBondContact ND2-OE2 3.01Å; E79-V98 CarbonylContact C-O 3.57Å; E79-V98 WeakPolarHBondContact CA-O 3.36Å; E79-K204 PolarHBondContact O-NZ 3.44Å; E79-P206 WeakPolarHBondContact OE2-CA 3.45Å; E79-G207 VanDerWaalsContact CD-N 3.3Å; E79-G207 PolarHBondContact OE1-N 2.95Å; E79-G207 PolarHBondContact OE2-N 3.43Å
80C98.6Very high97.1Very high1 Ų129.9 Ų29.91%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-107.1149-176-60.10000111.6S70 V78 G96 A97 V98 P104S70-C80 PolarHBondContact OG-SG 2.8Å; V78-C80 WeakPolarHBondContact CG1-SG 3.34Å; C80-G96 CarbonylContact O-C 3.54Å; C80-A97 PolarHBondContact O-N 3.02Å; C80-A97 VanDerWaalsContact O-N 3.09Å; C80-V98 HydrophobicContact CB-CG2 4.2Å; C80-V98 PolarHBondContact N-O 2.97Å; C80-V98 WeakPolarHBondContact O-CG2 3.26Å; C80-V98 PolarHBondContact O-N 3.42Å; C80-V98 VanDerWaalsContact O-N 3.12Å; C80-P104 HydrophobicContact CB-CB 4.36Å; C80-P104 HydrophobicContact CB-CG 3.48Å; C80-P104 VanDerWaalsContact CB-CG 3.48Å
81D98.6Very high97.1Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-121.7133.2175.8-66.3-25.5000108V95 G96 A97 S197 S198 R208 G210 A212 T213D81-V95 CarbonylContact C-O 3.56Å; D81-V95 WeakPolarHBondContact CA-O 3.32Å; D81-G96 VanDerWaalsContact OD1-CA 3.3Å; D81-G96 WeakPolarHBondContact OD1-CA 3.33Å; D81-A97 PolarHBondContact OD1-N 3.04Å; D81-S197 CarbonylContact O-C 3.59Å; D81-S197 WeakPolarHBondContact O-CA 3.48Å; D81-S198 PolarHBondContact N-O 3.13Å; D81-S198 PolarHBondContact O-N 3.48Å; D81-R208 IonicContact OD2-NH1 3.25Å; D81-R208 PolarHBondContact OD2-NH1 3.12Å; D81-G210 PolarHBondContact OD2-N 3.45Å; D81-A212 HydrophobicContact CB-CB 4.07Å; D81-T213 HydrophobicContact CB-CG2 3.86Å
82A98.9Very high97.2Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-147.5149171.900000111.6G94 V95 P104 I105 C196 A212A82-G94 CarbonylContact O-C 3.38Å; A82-G94 WeakPolarHBondContact O-CA 3.25Å; A82-V95 HydrophobicContact CB-CG2 4.47Å; A82-V95 PolarHBondContact N-O 3.31Å; A82-V95 PolarHBondContact O-N 3.24Å; A82-P104 HydrophobicContact CB-CB 3.65Å; A82-I105 HydrophobicContact CB-CB 4.34Å; A82-I105 HydrophobicContact CB-CD1 4.19Å; A82-C196 CarbonylContact C-O 3.56Å; A82-C196 VanDerWaalsContact CA-O 3.3Å; A82-C196 WeakPolarHBondContact CA-O 3.13Å; A82-A212 CarbonylContact C-O 3.56Å
83G98.8Very high97.3Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-154.3164.5173.600000112A93 I105 S195 C196 A212G83-A93 CarbonylContact C-O 3.56Å; G83-A93 WeakPolarHBondContact CA-O 3.18Å; G83-I105 WeakPolarHBondContact O-CD1 3.49Å; G83-S195 WeakPolarHBondContact O-CA 3.38Å; G83-C196 PolarHBondContact N-O 3.09Å; G83-C196 PolarHBondContact O-N 2.93Å; G83-C196 VanDerWaalsContact O-O 3.14Å; G83-A212 WeakPolarHBondContact CA-O 3.47Å; G83-A212 PolarHBondContact N-O 3.06Å
84L98.9Very high97.4Very high2 Ų231.8 Ų31.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-151.7155.8177.658.2134.5000111.2I48 F92 A93 I105 A108 K109 L112 A194I48-L84 HydrophobicContact CD1-CD1 3.24Å; I48-L84 HydrophobicContact CG1-CD1 3.56Å; L84-F92 CarbonylContact O-C 3.48Å; L84-F92 VanDerWaalsContact O-CA 3.28Å; L84-F92 WeakPolarHBondContact O-CA 3.24Å; L84-F92 WeakPolarHBondContact O-CD2 3.3Å; L84-A93 PolarHBondContact N-O 3.43Å; L84-A93 PolarHBondContact O-N 3.47Å; L84-I105 HydrophobicContact CB-CD1 4.17Å; L84-I105 HydrophobicContact CD2-CD1 3.6Å; L84-I105 HydrophobicContact CD2-CG1 4.24Å; L84-A108 HydrophobicContact CD2-CB 3.42Å; L84-A108 VanDerWaalsContact CD2-CB 3.42Å; L84-K109 HydrophobicContact CD1-CB 4.38Å; L84-K109 HydrophobicContact CD1-CD 3.97Å; L84-K109 HydrophobicContact CD2-CB 4.26Å; L84-L112 HydrophobicContact CD1-CD1 3.97Å; L84-A194 CarbonylContact C-O 3.54Å; L84-A194 WeakPolarHBondContact CA-O 3.31Å; L84-A194 VanDerWaalsContact CB-O 3.29Å; L84-A194 WeakPolarHBondContact CB-O 3.42Å
85M98.7Very high97.6Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-125.6138.5173.9-166166.3179.600110M90 E91 F92 A193 A194 F215 W220 A221M85-M90 HydrophobicContact CE-CB 4.02Å; M85-E91 CarbonylContact C-O 3.59Å; M85-E91 VanDerWaalsContact CA-O 3.3Å; M85-E91 WeakPolarHBondContact CA-O 3.27Å; M85-E91 WeakPolarHBondContact CG-O 3.31Å; M85-F92 HydrophobicContact CB-CD2 4.3Å; M85-F92 HydrophobicContact CG-CB 4.42Å; M85-A193 CarbonylContact O-C 3.54Å; M85-A193 WeakPolarHBondContact O-CA 3.43Å; M85-A193 WeakPolarHBondContact O-CB 3.27Å; M85-A194 PolarHBondContact N-O 3.31Å; M85-A194 PolarHBondContact O-N 3.14Å; M85-F215 HydrophobicContact CE-CE2 4.01Å; M85-F215 HydrophobicContact CE-CZ 4.25Å; M85-F215 HydrophobicContact SD-CE2 4.31Å; M85-W220 HydrophobicContact CE-CD2 4.05Å; M85-W220 HydrophobicContact CE-CE3 4.05Å; M85-W220 HydrophobicContact CE-CH2 4.2Å; M85-W220 HydrophobicContact CE-CZ2 4.16Å; M85-W220 HydrophobicContact CE-CZ3 4.15Å; M85-W220 HydrophobicContact SD-CB 4.45Å; M85-W220 HydrophobicContact SD-CD2 3.78Å; M85-W220 HydrophobicContact SD-CE3 3.67Å; M85-W220 HydrophobicContact SD-CG 4.13Å; M85-W220 HydrophobicContact SD-CZ3 4.25Å; M85-A221 HydrophobicContact CB-CB 4.15Å; M85-A221 WeakPolarHBondContact CE-O 3.11Å; M85-A221 HydrophobicContact CG-CB 4.2Å; M85-A221 PolarHBondContact SD-N 3.33Å
86D98.5Very high97.7Very high8 Ų822.6 Ų22.64%0.04313%0.129CC..EExtended strand (participates in β ladder)trans-110.6126.5170.7-162.7-24.1000108.3I48 S88 M90 E91 L112 R116I48-D86 HydrophobicContact CD1-CB 3.73Å; D86-S88 PolarHBondContact O-N 3.02Å; D86-S88 WeakPolarHBondContact OD1-CB 3.26Å; D86-S88 PolarHBondContact OD1-N 2.78Å; D86-M90 CarbonylContact O-C 3.52Å; D86-M90 WeakPolarHBondContact O-CA 3.34Å; D86-M90 PolarHBondContact O-N 3.25Å; D86-E91 PolarHBondContact N-O 3.12Å; D86-E91 PolarHBondContact O-N 3.36Å; D86-L112 HydrophobicContact CB-CD1 4.36Å; D86-R116 IonicContact OD2-CZ 2.66Å; D86-R116 VanDerWaalsContact OD2-CZ 3.31Å; D86-R116 IonicContact OD2-NH1 3.89Å; D86-R116 PolarHBondContact OD2-NH1 2.87Å; D86-R116 IonicContact OD2-NH2 3.1Å; D86-R116 PolarHBondContact OD2-NH2 2.94Å
87S98.3Very high97.7Very high9 Ų920 Ų206%0.06312%0.118CC..THydrogen-bonded Turntrans-64.6-23.2175.874.90000111.6G89 M90 A192 A221S87-G89 PolarHBondContact O-N 2.91Å; S87-M90 PolarHBondContact O-N 2.79Å; S87-A192 VanDerWaalsContact CB-O 3.3Å; S87-A192 WeakPolarHBondContact CB-O 3.1Å; S87-A192 PolarHBondContact N-O 2.89Å; S87-A192 PolarHBondContact OG-N 3.2Å; S87-A192 PolarHBondContact OG-O 2.97Å; S87-A192 VanDerWaalsContact OG-O 3.14Å; S87-A221 WeakPolarHBondContact CA-O 3.45Å
88S96.2Very high97.8Very high50 Ų5015.8 Ų15.835%0.3510%0.1SC..G310 helixtrans-66.7102.2171.4-179.70000110.5D86 M90 R116D86-S88 PolarHBondContact O-N 3.02Å; D86-S88 WeakPolarHBondContact OD1-CB 3.26Å; D86-S88 PolarHBondContact OD1-N 2.78Å; S88-M90 VanDerWaalsContact C-N 3.3Å; S88-R116 PolarHBondContact O-NH2 2.86Å
89G91.9Very high97.8Very high60 Ų6020.9 Ų20.962%0.61912%0.118SC*.G310 helixtrans79.87.3-177.400000114.3S87 E91S87-G89 PolarHBondContact O-N 2.91Å; G89-E91 PolarHBondContact O-N 2.64Å
90M94.2Very high97.7Very high109 Ų10920.3 Ų20.354%0.53712%0.117SC..G310 helixtrans51.339.4-174-61.3-174-72.100112.6M85 D86 S87 S88 E222M85-M90 HydrophobicContact CE-CB 4.02Å; D86-M90 CarbonylContact O-C 3.52Å; D86-M90 WeakPolarHBondContact O-CA 3.34Å; D86-M90 PolarHBondContact O-N 3.25Å; S87-M90 PolarHBondContact O-N 2.79Å; S88-M90 VanDerWaalsContact C-N 3.3Å; M90-E222 HydrophobicContact SD-CG 4.37Å
91E95.9Very high97.7Very high51 Ų5120.4 Ų20.424%0.23812%0.118CC..EExtended strand (participates in β ladder)trans-84.8134.2-174.5-69.9-69142.700110.5M85 D86 G89 L112 R115M85-E91 CarbonylContact C-O 3.59Å; M85-E91 VanDerWaalsContact CA-O 3.3Å; M85-E91 WeakPolarHBondContact CA-O 3.27Å; M85-E91 WeakPolarHBondContact CG-O 3.31Å; D86-E91 PolarHBondContact N-O 3.12Å; D86-E91 PolarHBondContact O-N 3.36Å; G89-E91 PolarHBondContact O-N 2.64Å; E91-L112 HydrophobicContact CB-CD1 4.08Å; E91-L112 HydrophobicContact CB-CD2 4.29Å; E91-L112 HydrophobicContact CB-CG 4.13Å; E91-R115 IonicContact OE2-CZ 3.97Å; E91-R115 IonicContact OE2-NE 2.81Å; E91-R115 PolarHBondContact OE2-NE 2.97Å; E91-R115 IonicContact OE2-NH2 2.77Å; E91-R115 PolarHBondContact OE2-NH2 3.05Å
92F98.2Very high97.7Very high5 Ų522.4 Ų22.42%0.02213%0.127CC..EExtended strand (participates in β ladder)trans-125.2143.2176.4169-92.9000110.9L84 M85 R115 V128 T213 F215L84-F92 CarbonylContact O-C 3.48Å; L84-F92 VanDerWaalsContact O-CA 3.28Å; L84-F92 WeakPolarHBondContact O-CA 3.24Å; L84-F92 WeakPolarHBondContact O-CD2 3.3Å; M85-F92 HydrophobicContact CB-CD2 4.3Å; M85-F92 HydrophobicContact CG-CB 4.42Å; F92-R115 PolarHBondContact O-NH1 3.11Å; F92-V128 HydrophobicContact CE1-CG2 4.03Å; F92-T213 WeakPolarHBondContact CE1-O 3.39Å; F92-T213 WeakPolarHBondContact CZ-O 3.38Å; F92-F215 HydrophobicContact CB-CD2 3.47Å; F92-F215 VanDerWaalsContact CB-CD2 3.47Å; F92-F215 HydrophobicContact CB-CE2 3.79Å; F92-F215 HydrophobicContact CD1-CB 4.24Å; F92-F215 HydrophobicContact CD1-CD2 4.02Å; F92-F215 HydrophobicContact CD2-CD2 4.33Å; F92-F215 HydrophobicContact CE1-CB 4.46Å; F92-F215 AromaticContact CG-CD2 3.68Å; F92-F215 HydrophobicContact CG-CD2 3.68Å; F92-F215 HydrophobicContact CG-CE2 4.46Å
93A98.6Very high97.7Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-141.3152.6166.100000112.2G83 L84 A108 L111 L112 F127G83-A93 CarbonylContact C-O 3.56Å; G83-A93 WeakPolarHBondContact CA-O 3.18Å; L84-A93 PolarHBondContact N-O 3.43Å; L84-A93 PolarHBondContact O-N 3.47Å; A93-A108 VanDerWaalsContact CB-O 3.3Å; A93-A108 WeakPolarHBondContact CB-O 3.49Å; A93-L111 HydrophobicContact CB-CB 4.2Å; A93-L111 HydrophobicContact CB-CD2 4.28Å; A93-L111 HydrophobicContact CB-CG 4.16Å; A93-L112 HydrophobicContact CB-CB 3.7Å; A93-L112 HydrophobicContact CB-CD1 4.43Å; A93-L112 HydrophobicContact CB-CG 4.44Å; A93-F127 CarbonylContact C-O 3.41Å; A93-F127 VanDerWaalsContact CA-O 3.24Å; A93-F127 WeakPolarHBondContact CA-O 3.14Å
94G98.6Very high97.7Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-144.8155.4179.200000114.5A82 L111 F127 V128 L129A82-G94 CarbonylContact O-C 3.38Å; A82-G94 WeakPolarHBondContact O-CA 3.25Å; G94-L111 WeakPolarHBondContact O-CD2 3.25Å; G94-F127 PolarHBondContact N-O 2.89Å; G94-V128 WeakPolarHBondContact O-CA 3.18Å; G94-L129 PolarHBondContact O-N 3.25Å; G94-L129 VanDerWaalsContact O-N 3.17Å
95V98.8Very high97.7Very high0 Ų022.9 Ų22.90%013%0.129CC..EExtended strand (participates in β ladder)trans-130133.6168.7-64.20000110.3D81 A82 P104 V107 A108 L129 A134 T213D81-V95 CarbonylContact C-O 3.56Å; D81-V95 WeakPolarHBondContact CA-O 3.32Å; A82-V95 HydrophobicContact CB-CG2 4.47Å; A82-V95 PolarHBondContact N-O 3.31Å; A82-V95 PolarHBondContact O-N 3.24Å; V95-P104 HydrophobicContact CG2-CB 3.95Å; V95-P104 WeakPolarHBondContact CG2-O 3.37Å; V95-V107 HydrophobicContact CG1-CB 4.17Å; V95-V107 HydrophobicContact CG1-CG1 3.78Å; V95-V107 HydrophobicContact CG2-CB 4.38Å; V95-A108 HydrophobicContact CG2-CB 4.33Å; V95-L129 CarbonylContact C-O 3.5Å; V95-L129 VanDerWaalsContact CA-O 3.22Å; V95-L129 WeakPolarHBondContact CA-O 3.48Å; V95-A134 HydrophobicContact CB-CB 4.48Å; V95-T213 VanDerWaalsContact C-CG2 3.42Å; V95-T213 WeakPolarHBondContact O-CG2 3.46Å
96G98.5Very high97.7Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-127.4156.1-175.400000113.6C80 D81 V98 L129 V130 G131C80-G96 CarbonylContact O-C 3.54Å; D81-G96 VanDerWaalsContact OD1-CA 3.3Å; D81-G96 WeakPolarHBondContact OD1-CA 3.33Å; G96-V98 PolarHBondContact O-N 2.66Å; G96-V98 VanDerWaalsContact O-N 3.15Å; G96-L129 PolarHBondContact N-O 3.44Å; G96-V130 CarbonylContact O-C 3.56Å; G96-V130 WeakPolarHBondContact O-CA 3.21Å; G96-G131 PolarHBondContact O-N 3.07Å
97A98.2Very high97.7Very high7 Ų729 Ų296%0.05815%0.152CC..EExtended strand (participates in β ladder)trans49.538.5177.700000114.3C80 D81 V209C80-A97 PolarHBondContact O-N 3.02Å; C80-A97 VanDerWaalsContact O-N 3.09Å; D81-A97 PolarHBondContact OD1-N 3.04Å; A97-V209 HydrophobicContact CB-CG2 4.22Å
98V98.6Very high97.7Very high2 Ų228.6 Ų28.61%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-91.5135.2176.5-65.20000110.8E79 C80 G96 V101 P104 A134 E135E79-V98 CarbonylContact C-O 3.57Å; E79-V98 WeakPolarHBondContact CA-O 3.36Å; C80-V98 HydrophobicContact CB-CG2 4.2Å; C80-V98 PolarHBondContact N-O 2.97Å; C80-V98 WeakPolarHBondContact O-CG2 3.26Å; C80-V98 PolarHBondContact O-N 3.42Å; C80-V98 VanDerWaalsContact O-N 3.12Å; G96-V98 PolarHBondContact O-N 2.66Å; G96-V98 VanDerWaalsContact O-N 3.15Å; V98-V101 HydrophobicContact CB-CB 4.24Å; V98-V101 HydrophobicContact CB-CG2 3.96Å; V98-V101 HydrophobicContact CG1-CG2 4.3Å; V98-V101 HydrophobicContact CG2-CB 4.03Å; V98-V101 HydrophobicContact CG2-CG2 4.23Å; V98-P104 HydrophobicContact CG2-CB 4.04Å; V98-P104 HydrophobicContact CG2-CG 3.89Å; V98-A134 HydrophobicContact CG1-CB 3.54Å; V98-E135 HydrophobicContact CG1-CG 4.35Å
99R97.8Very high97.8Very high109 Ų10927.3 Ų27.341%0.41114%0.137SC..SBendtrans-112.8-25.7-172.755.5175.4179.8-155.80113.2V78 E135 P148V78-R99 WeakPolarHBondContact O-CA 3.41Å; V78-R99 VanDerWaalsContact O-CB 3.3Å; V78-R99 WeakPolarHBondContact O-CB 3.31Å; R99-E135 WeakPolarHBondContact CG-OE1 3.31Å; R99-E135 IonicContact CZ-OE2 3.07Å; R99-E135 PolarHBondContact N-OE1 3.49Å; R99-E135 IonicContact NE-OE1 3.71Å; R99-E135 IonicContact NE-OE2 3.08Å; R99-E135 PolarHBondContact NE-OE2 2.94Å; R99-E135 IonicContact NH2-OE2 3.82Å; R99-E135 PolarHBondContact NH2-OE2 2.9Å; R99-P148 HydrophobicContact CB-CB 4.37Å; R99-P148 HydrophobicContact CB-CG 4.44Å; R99-P148 HydrophobicContact CG-CG 4.18Å
100S97.5Very high98.1Very high13 Ų1327.3 Ų27.39%0.09112%0.121CC..SBendtrans-110.12.3-172.4-40.80000112.8E135 I145 V146 P148S100-E135 WeakPolarHBondContact CB-OE1 3.25Å; S100-E135 PolarHBondContact N-OE1 3.38Å; S100-E135 PolarHBondContact OG-OE1 3.12Å; S100-E135 PolarHBondContact OG-OE2 3.01Å; S100-I145 CarbonylContact O-C 3.56Å; S100-I145 VanDerWaalsContact O-CA 3.26Å; S100-I145 WeakPolarHBondContact O-CA 3.47Å; S100-V146 WeakPolarHBondContact CA-O 3.22Å; S100-V146 VanDerWaalsContact CB-O 3.31Å; S100-V146 WeakPolarHBondContact CB-O 3.3Å; S100-V146 PolarHBondContact O-N 3.17Å; S100-P148 WeakPolarHBondContact OG-CG 3.35Å
101V98.3Very high98.3Very high3 Ų322.5 Ų22.52%0.01810%0.097CC..BIsolated β-bridgetrans-94.7118.3-176.8177.70000109.5V98 N103 P104 V107 A138 I145 M151V98-V101 HydrophobicContact CB-CB 4.24Å; V98-V101 HydrophobicContact CB-CG2 3.96Å; V98-V101 HydrophobicContact CG1-CG2 4.3Å; V98-V101 HydrophobicContact CG2-CB 4.03Å; V98-V101 HydrophobicContact CG2-CG2 4.23Å; V101-N103 PolarHBondContact O-N 3.39Å; V101-P104 HydrophobicContact CG1-CG 4.47Å; V101-V107 HydrophobicContact CG1-CG2 3.46Å; V101-V107 VanDerWaalsContact CG1-CG2 3.46Å; V101-A138 HydrophobicContact CG2-CB 3.74Å; V101-I145 HydrophobicContact CG2-CD1 4.08Å; V101-M151 WeakPolarHBondContact O-CE 3.42Å
102K98.3Very high98.4Very high43 Ų4320.1 Ų20.119%0.1879%0.086CC..SBendtrans-60.3-44.9-177.6179.960.9-174.4174.30113D60 H144 V146 M151D60-K102 WeakPolarHBondContact OD1-CE 3.41Å; D60-K102 IonicContact OD1-NZ 2.73Å; K102-H144 HydrophobicContact CB-CB 4.17Å; K102-H144 WeakPolarHBondContact CB-O 3.22Å; K102-H144 PolarHBondContact N-O 3.29Å; K102-V146 HydrophobicContact CB-CG1 4.11Å; K102-V146 HydrophobicContact CD-CG1 4.45Å; K102-M151 HydrophobicContact CD-SD 4.29Å
103N98.7Very high98.2Very high11 Ų1122.1 Ų22.16%0.05910%0.097CC..  trans-130.587.6-179.6-58.4114.8000110.7V56 E59 D60 V101 I105 R106V56-N103 HydrophobicContact CG2-CB 4.18Å; E59-N103 WeakPolarHBondContact OE2-CA 3.4Å; E59-N103 VanDerWaalsContact OE2-CB 3.27Å; E59-N103 WeakPolarHBondContact OE2-CB 3.2Å; D60-N103 PolarHBondContact OD1-ND2 2.85Å; V101-N103 PolarHBondContact O-N 3.39Å; N103-I105 PolarHBondContact O-N 3.27Å; N103-R106 HydrophobicContact CB-CB 4.49Å; N103-R106 HydrophobicContact CB-CG 4.1Å; N103-R106 PolarHBondContact O-N 2.9Å; N103-R106 VanDerWaalsContact O-N 3.1Å
104P98.8Very high97.9Very high0 Ų023.9 Ų23.90%011%0.105CC..Hα-helixtrans-51.1-37.5-179.7-28.935.7000113.9C80 A82 V95 V98 V101 R106 V107 A108C80-P104 HydrophobicContact CB-CB 4.36Å; C80-P104 HydrophobicContact CB-CG 3.48Å; C80-P104 VanDerWaalsContact CB-CG 3.48Å; A82-P104 HydrophobicContact CB-CB 3.65Å; V95-P104 HydrophobicContact CG2-CB 3.95Å; V95-P104 WeakPolarHBondContact CG2-O 3.37Å; V98-P104 HydrophobicContact CG2-CB 4.04Å; V98-P104 HydrophobicContact CG2-CG 3.89Å; V101-P104 HydrophobicContact CG1-CG 4.47Å; P104-R106 PolarHBondContact O-N 3.36Å; P104-V107 PolarHBondContact O-N 2.89Å; P104-A108 PolarHBondContact O-N 3.34Å; P104-A108 VanDerWaalsContact O-N 3.08Å
105I98.9Very high97.5Very high0 Ų025.7 Ų25.70%011%0.112CC..Hα-helixtrans-60.2-31.7-179.8-16364.8000113.7V52 T55 V56 E59 A82 G83 L84 N103 V107 A108 K109V52-I105 HydrophobicContact CG1-CG2 4.39Å; V52-I105 HydrophobicContact CG2-CG1 4.39Å; T55-I105 HydrophobicContact CG2-CB 3.81Å; T55-I105 HydrophobicContact CG2-CD1 4.35Å; T55-I105 HydrophobicContact CG2-CG1 3.84Å; T55-I105 HydrophobicContact CG2-CG2 3.87Å; V56-I105 HydrophobicContact CG2-CG2 3.76Å; E59-I105 WeakPolarHBondContact OE1-CB 3.35Å; E59-I105 PolarHBondContact OE1-N 3.19Å; E59-I105 VanDerWaalsContact OE1-N 3.11Å; E59-I105 WeakPolarHBondContact OE2-CG2 3.32Å; A82-I105 HydrophobicContact CB-CB 4.34Å; A82-I105 HydrophobicContact CB-CD1 4.19Å; G83-I105 WeakPolarHBondContact O-CD1 3.49Å; L84-I105 HydrophobicContact CB-CD1 4.17Å; L84-I105 HydrophobicContact CD2-CD1 3.6Å; L84-I105 HydrophobicContact CD2-CG1 4.24Å; N103-I105 PolarHBondContact O-N 3.27Å; I105-V107 VanDerWaalsContact C-N 3.34Å; I105-A108 PolarHBondContact O-N 3Å; I105-K109 PolarHBondContact O-N 3.26Å
106R98.7Very high97.1Very high136 Ų13630.6 Ų30.651%0.51313%0.131SC..Hα-helixtrans-68.4-36.4177-70.4-176.1171.2174.9-2.7111.7V52 V56 N103 P104 K109 H110V52-R106 HydrophobicContact CG1-CG 4.1Å; V56-R106 HydrophobicContact CG2-CG 3.78Å; N103-R106 HydrophobicContact CB-CB 4.49Å; N103-R106 HydrophobicContact CB-CG 4.1Å; N103-R106 PolarHBondContact O-N 2.9Å; N103-R106 VanDerWaalsContact O-N 3.1Å; P104-R106 PolarHBondContact O-N 3.36Å; R106-K109 PolarHBondContact O-N 3.21Å; R106-H110 PolarHBondContact O-N 3.33Å
107V98.8Very high96.6Very high1 Ų135.8 Ų35.81%0.00615%0.153CC..Hα-helixtrans-70.1-42.3177.5-173.50000110V95 V101 P104 I105 K109 H110 L111 F137 A138 I141 A143V95-V107 HydrophobicContact CG1-CB 4.17Å; V95-V107 HydrophobicContact CG1-CG1 3.78Å; V95-V107 HydrophobicContact CG2-CB 4.38Å; V101-V107 HydrophobicContact CG1-CG2 3.46Å; V101-V107 VanDerWaalsContact CG1-CG2 3.46Å; P104-V107 PolarHBondContact O-N 2.89Å; I105-V107 VanDerWaalsContact C-N 3.34Å; V107-K109 VanDerWaalsContact C-N 3.31Å; V107-K109 PolarHBondContact O-N 3.14Å; V107-H110 PolarHBondContact O-N 3.19Å; V107-L111 PolarHBondContact O-N 3.3Å; V107-F137 HydrophobicContact CG1-CD1 3.65Å; V107-F137 HydrophobicContact CG1-CE1 3.93Å; V107-A138 HydrophobicContact CG1-CB 3.91Å; V107-A138 HydrophobicContact CG2-CB 3.79Å; V107-I141 HydrophobicContact CG1-CD1 4.16Å; V107-I141 HydrophobicContact CG2-CD1 4.48Å; V107-A143 HydrophobicContact CG2-CB 3.86Å
108A98.7Very high95.5Very high0 Ų041.4 Ų41.40%019%0.192CC..Hα-helixtrans-58.7-42.3172.600000111.6L84 A93 V95 P104 I105 H110 L111 L112L84-A108 HydrophobicContact CD2-CB 3.42Å; L84-A108 VanDerWaalsContact CD2-CB 3.42Å; A93-A108 VanDerWaalsContact CB-O 3.3Å; A93-A108 WeakPolarHBondContact CB-O 3.49Å; V95-A108 HydrophobicContact CG2-CB 4.33Å; P104-A108 PolarHBondContact O-N 3.34Å; P104-A108 VanDerWaalsContact O-N 3.08Å; I105-A108 PolarHBondContact O-N 3Å; A108-H110 PolarHBondContact O-N 2.92Å; A108-L111 WeakPolarHBondContact O-CB 3.31Å; A108-L111 PolarHBondContact O-N 3.4Å; A108-L112 PolarHBondContact O-N 3.03Å
109K98.6Very high94Very high23 Ų2345.7 Ų45.710%0.121%0.211CC..Hα-helixtrans-62.1-45177.2175.355.9165.775.40111.7I48 V52 L84 I105 R106 V107 L111 L112 D113I48-K109 HydrophobicContact CD1-CD 3.58Å; I48-K109 HydrophobicContact CG1-CD 3.73Å; I48-K109 VanDerWaalsContact CG1-CE 3.49Å; V52-K109 HydrophobicContact CG2-CB 3.8Å; V52-K109 HydrophobicContact CG2-CD 4.33Å; V52-K109 HydrophobicContact CG2-CG 3.98Å; L84-K109 HydrophobicContact CD1-CB 4.38Å; L84-K109 HydrophobicContact CD1-CD 3.97Å; L84-K109 HydrophobicContact CD2-CB 4.26Å; I105-K109 PolarHBondContact O-N 3.26Å; R106-K109 PolarHBondContact O-N 3.21Å; V107-K109 VanDerWaalsContact C-N 3.31Å; V107-K109 PolarHBondContact O-N 3.14Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.9Å; K109-L112 WeakPolarHBondContact O-CB 3.41Å; K109-L112 PolarHBondContact O-N 3.06Å; K109-L112 VanDerWaalsContact O-N 3.16Å; K109-D113 IonicContact NZ-OD1 2.74Å; K109-D113 PolarHBondContact NZ-OD1 3.07Å; K109-D113 IonicContact NZ-OD2 3.18Å; K109-D113 PolarHBondContact NZ-OD2 3.28Å; K109-D113 PolarHBondContact O-N 2.84Å
110H97.9Very high92.7Very high61 Ų6146.7 Ų46.728%0.28223%0.23SC..Hα-helixtrans-66-35.5178.9-158.196.8000112R106 V107 A108 L112 D113 E114 I141R106-H110 PolarHBondContact O-N 3.33Å; V107-H110 PolarHBondContact O-N 3.19Å; A108-H110 PolarHBondContact O-N 2.92Å; H110-L112 VanDerWaalsContact C-N 3.32Å; H110-L112 PolarHBondContact O-N 3.31Å; H110-D113 PolarHBondContact O-N 3.18Å; H110-E114 IonicContact NE2-OE1 3.97Å; H110-E114 WeakPolarHBondContact O-CG 3.37Å; H110-E114 PolarHBondContact O-N 3.38Å; H110-I141 HydrophobicContact CB-CD1 3.46Å; H110-I141 VanDerWaalsContact CB-CD1 3.46Å; H110-I141 WeakPolarHBondContact CD2-CG2 3.3Å; H110-I141 WeakPolarHBondContact NE2-CG2 3.49Å
111L97.7Very high91.8Very high8 Ų849.9 Ų49.94%0.04226%0.257CS..Hα-helixtrans-60.5-41.4172.218060.2000111.5A93 G94 V107 A108 K109 R115 F127 L129 F137A93-L111 HydrophobicContact CB-CB 4.2Å; A93-L111 HydrophobicContact CB-CD2 4.28Å; A93-L111 HydrophobicContact CB-CG 4.16Å; G94-L111 WeakPolarHBondContact O-CD2 3.25Å; V107-L111 PolarHBondContact O-N 3.3Å; A108-L111 WeakPolarHBondContact O-CB 3.31Å; A108-L111 PolarHBondContact O-N 3.4Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 2.9Å; L111-R115 WeakPolarHBondContact O-CG 3.39Å; L111-R115 PolarHBondContact O-N 2.87Å; L111-F127 WeakPolarHBondContact CD2-O 3.28Å; L111-L129 HydrophobicContact CD1-CD1 3.96Å; L111-L129 HydrophobicContact CD1-CG 4.33Å; L111-L129 HydrophobicContact CD2-CB 4.49Å; L111-L129 HydrophobicContact CD2-CD1 4.23Å; L111-L129 HydrophobicContact CD2-CG 3.99Å; L111-F137 HydrophobicContact CB-CE1 3.89Å; L111-F137 HydrophobicContact CB-CZ 4.12Å; L111-F137 HydrophobicContact CD1-CE1 4.38Å; L111-F137 HydrophobicContact CD1-CZ 4.13Å
112L97.3Very high91Very high0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-62.3-43.5173.6-167151.5000111.6I48 L84 D86 E91 A93 A108 K109 H110 R115 R116I48-L112 HydrophobicContact CD1-CD1 4.06Å; I48-L112 HydrophobicContact CD1-CD2 4.24Å; L84-L112 HydrophobicContact CD1-CD1 3.97Å; D86-L112 HydrophobicContact CB-CD1 4.36Å; E91-L112 HydrophobicContact CB-CD1 4.08Å; E91-L112 HydrophobicContact CB-CD2 4.29Å; E91-L112 HydrophobicContact CB-CG 4.13Å; A93-L112 HydrophobicContact CB-CB 3.7Å; A93-L112 HydrophobicContact CB-CD1 4.43Å; A93-L112 HydrophobicContact CB-CG 4.44Å; A108-L112 PolarHBondContact O-N 3.03Å; K109-L112 WeakPolarHBondContact O-CB 3.41Å; K109-L112 PolarHBondContact O-N 3.06Å; K109-L112 VanDerWaalsContact O-N 3.16Å; H110-L112 VanDerWaalsContact C-N 3.32Å; H110-L112 PolarHBondContact O-N 3.31Å; L112-R115 WeakPolarHBondContact O-CB 3.2Å; L112-R115 PolarHBondContact O-N 2.9Å; L112-R116 PolarHBondContact O-N 2.87Å
113D95.5Very high90.5Very high48 Ų4860.9 Ų60.926%0.25732%0.317SS..Hα-helixtrans-66.3-40.1179.2-67.5-28.3000112.9K109 H110 R115 R116K109-D113 IonicContact NZ-OD1 2.74Å; K109-D113 PolarHBondContact NZ-OD1 3.07Å; K109-D113 IonicContact NZ-OD2 3.18Å; K109-D113 PolarHBondContact NZ-OD2 3.28Å; K109-D113 PolarHBondContact O-N 2.84Å; H110-D113 PolarHBondContact O-N 3.18Å; D113-R115 PolarHBondContact O-N 3.05Å; D113-R116 PolarHBondContact O-N 3.24Å; D113-R116 VanDerWaalsContact O-N 3.07Å
114E92Very high89.9Confident37 Ų3766.6 Ų66.617%0.17335%0.352CS..Hα-helixtrans-60.2-31.5174.5-77.8-61.2123.500112.4H110 R116 K117 R125 F137H110-E114 IonicContact NE2-OE1 3.97Å; H110-E114 WeakPolarHBondContact O-CG 3.37Å; H110-E114 PolarHBondContact O-N 3.38Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-K117 VanDerWaalsContact OE1-CE 3.29Å; E114-K117 WeakPolarHBondContact OE1-CE 3.39Å; E114-K117 IonicContact OE1-NZ 3.06Å; E114-K117 PolarHBondContact OE1-NZ 2.87Å; E114-R125 WeakPolarHBondContact O-CD 3.4Å; E114-R125 PolarHBondContact O-NE 3.45Å; E114-F137 HydrophobicContact CG-CE2 4.3Å; E114-F137 HydrophobicContact CG-CZ 4.17Å
115R90.8Very high89.4Confident38 Ų3871.4 Ų71.414%0.14337%0.37CS..Hα-helixtrans-70.4-27.4175.2-71.5173.451-179.2-4.1114E91 F92 L111 L112 D113 K117 H119 R125 F127E91-R115 IonicContact OE2-CZ 3.97Å; E91-R115 IonicContact OE2-NE 2.81Å; E91-R115 PolarHBondContact OE2-NE 2.97Å; E91-R115 IonicContact OE2-NH2 2.77Å; E91-R115 PolarHBondContact OE2-NH2 3.05Å; F92-R115 PolarHBondContact O-NH1 3.11Å; L111-R115 WeakPolarHBondContact O-CG 3.39Å; L111-R115 PolarHBondContact O-N 2.87Å; L112-R115 WeakPolarHBondContact O-CB 3.2Å; L112-R115 PolarHBondContact O-N 2.9Å; D113-R115 PolarHBondContact O-N 3.05Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-H119 PolarHBondContact O-CE1 3.4Å; R115-R125 HydrophobicContact CG-CB 3.79Å; R115-F127 VanDerWaalsContact NH1-CB 3.28Å
116R89.8Confident89.2Confident103 Ų10374.7 Ų74.739%0.38939%0.391SS..Hα-helixtrans-77.9-14.4178.6-69.7175.2165.1170.5-6.5113.7D86 S88 L112 D113 E114D86-R116 IonicContact OD2-CZ 2.66Å; D86-R116 VanDerWaalsContact OD2-CZ 3.31Å; D86-R116 IonicContact OD2-NH1 3.89Å; D86-R116 PolarHBondContact OD2-NH1 2.87Å; D86-R116 IonicContact OD2-NH2 3.1Å; D86-R116 PolarHBondContact OD2-NH2 2.94Å; S88-R116 PolarHBondContact O-NH2 2.86Å; L112-R116 PolarHBondContact O-N 2.87Å; D113-R116 PolarHBondContact O-N 3.24Å; D113-R116 VanDerWaalsContact O-N 3.07Å; E114-R116 VanDerWaalsContact C-N 3.33Å
117K87.8Confident89Confident108 Ų10873.3 Ų73.347%0.4739%0.389SS..SBendtrans-77.2139.7-178.2-64.6179.6-179.5179.90111.9E114 R115 H119E114-K117 VanDerWaalsContact OE1-CE 3.29Å; E114-K117 WeakPolarHBondContact OE1-CE 3.39Å; E114-K117 IonicContact OE1-NZ 3.06Å; E114-K117 PolarHBondContact OE1-NZ 2.87Å; R115-K117 VanDerWaalsContact C-N 3.32Å; K117-H119 PolarHBondContact O-CE1 2.97Å; K117-H119 PolarHBondContact O-ND1 3.06Å
118S75Confident88.9Confident125 Ų12575.5 Ų75.587%0.87440%0.403SS*.PPolyproline II helixtrans-50.9137173.9-56.80000112.3
119H67.8Low88.9Confident92 Ų9277.3 Ų77.343%0.42641%0.412SS..PPolyproline II helixtrans-94.5150.4-162.8-55.5-31.4000114R115 K117R115-H119 PolarHBondContact O-CE1 3.4Å; K117-H119 PolarHBondContact O-CE1 2.97Å; K117-H119 PolarHBondContact O-ND1 3.06Å
120V70.4Confident88.9Confident131 Ų13179.7 Ų79.779%0.79443%0.428SS*.SBendtrans-83.1127.2158.8-178.40000107.5N122V120-N122 VanDerWaalsContact C-N 3.32Å; V120-N122 PolarHBondContact O-N 3.23Å
121A78.7Confident88.9Confident80 Ų8077.8 Ų77.866%0.66143%0.425SS*.THydrogen-bonded Turntrans58.626.2171.300000117.4L123A121-L123 PolarHBondContact O-N 3.39Å; A121-L123 VanDerWaalsContact O-N 3.11Å
122N80.7Confident88.9Confident151 Ų15181.6 Ų81.681%0.80745%0.446SS*.THydrogen-bonded Turntrans56.525174.3-60.4-29.5000115.8V120V120-N122 VanDerWaalsContact C-N 3.32Å; V120-N122 PolarHBondContact O-N 3.23Å
123L87.3Confident89Confident126 Ų12683.5 Ų83.566%0.6647%0.465SS*.PPolyproline II helixtrans-77.4141.8179.5-63.3177.9000112.4A121A121-L123 PolarHBondContact O-N 3.39Å; A121-L123 VanDerWaalsContact O-N 3.11Å
124V87.3Confident89.1Confident131 Ų13181.2 Ų81.279%0.79445%0.453SS*.PPolyproline II helixtrans-77.2124.4174.9-177.20000110.1F127V124-F127 HydrophobicContact CG1-CE1 4.45Å
125R87.9Confident89.4Confident101 Ų10179.9 Ų79.938%0.38145%0.447SS..PPolyproline II helixtrans-84.5145.7176.5-73.7-175-175.4-82.25.9111.7E114 R115E114-R125 WeakPolarHBondContact O-CD 3.4Å; E114-R125 PolarHBondContact O-NE 3.45Å; R115-R125 HydrophobicContact CG-CB 3.79Å
126P93.8Very high89.7Confident68 Ų6883.3 Ų83.344%0.44246%0.463SS..PPolyproline II helixtrans-69.7144.4-178.629.4-35.2000111.7L129P126-L129 HydrophobicContact CB-CD2 4.3Å; P126-L129 HydrophobicContact CG-CD2 3.78Å; P126-L129 HydrophobicContact CG-CG 4.48Å
127F94.8Very high90.1Very high107 Ų10779.4 Ų79.447%0.46945%0.449SS..SBendtrans-83.5-26.5176.4-35.6-35000111.5A93 G94 L111 R115 V124A93-F127 CarbonylContact C-O 3.41Å; A93-F127 VanDerWaalsContact CA-O 3.24Å; A93-F127 WeakPolarHBondContact CA-O 3.14Å; G94-F127 PolarHBondContact N-O 2.89Å; L111-F127 WeakPolarHBondContact CD2-O 3.28Å; R115-F127 VanDerWaalsContact NH1-CB 3.28Å; V124-F127 HydrophobicContact CG1-CE1 4.45Å
128V98.3Very high90.7Very high48 Ų4874.3 Ų74.329%0.29143%0.426SS..EExtended strand (participates in β ladder)trans-131.6133.5-175.2-177.10000109.5F92 G94 V130 T213F92-V128 HydrophobicContact CE1-CG2 4.03Å; G94-V128 WeakPolarHBondContact O-CA 3.18Å; V128-V130 HydrophobicContact CG1-CG1 3.94Å; V128-T213 WeakPolarHBondContact CG2-O 3.42Å
129L98.5Very high91.8Very high38 Ų3873.7 Ų73.720%0.19941%0.41CS..EExtended strand (participates in β ladder)trans-118.9144.6167.5-64.2176.7000108.9G94 V95 G96 L111 P126 A134 F137G94-L129 PolarHBondContact O-N 3.25Å; G94-L129 VanDerWaalsContact O-N 3.17Å; V95-L129 CarbonylContact C-O 3.5Å; V95-L129 VanDerWaalsContact CA-O 3.22Å; V95-L129 WeakPolarHBondContact CA-O 3.48Å; G96-L129 PolarHBondContact N-O 3.44Å; L111-L129 HydrophobicContact CD1-CD1 3.96Å; L111-L129 HydrophobicContact CD1-CG 4.33Å; L111-L129 HydrophobicContact CD2-CB 4.49Å; L111-L129 HydrophobicContact CD2-CD1 4.23Å; L111-L129 HydrophobicContact CD2-CG 3.99Å; P126-L129 HydrophobicContact CB-CD2 4.3Å; P126-L129 HydrophobicContact CG-CD2 3.78Å; P126-L129 HydrophobicContact CG-CG 4.48Å; L129-A134 HydrophobicContact CB-CB 3.86Å; L129-F137 HydrophobicContact CD1-CB 3.69Å; L129-F137 HydrophobicContact CD1-CD1 3.9Å; L129-F137 HydrophobicContact CD1-CD2 4.07Å; L129-F137 HydrophobicContact CD1-CG 3.61Å
130V98.6Very high93.2Very high73 Ų7378.9 Ų78.944%0.44243%0.425SS..EExtended strand (participates in β ladder)trans-134.8159.9179.5-57.40000112.4G96 V128 G133 A134 V209G96-V130 CarbonylContact O-C 3.56Å; G96-V130 WeakPolarHBondContact O-CA 3.21Å; V128-V130 HydrophobicContact CG1-CG1 3.94Å; V130-G133 PolarHBondContact O-N 3.14Å; V130-A134 PolarHBondContact O-N 2.84Å; V130-V209 HydrophobicContact CG1-CG2 4.07Å
131G97.5Very high94.4Very high21 Ų2174.6 Ų74.622%0.21640%0.398CS..Hα-helixtrans53.8-138.5172.400000113.1G96 G133 A134 E135G96-G131 PolarHBondContact O-N 3.07Å; G131-G133 VanDerWaalsContact C-N 3.26Å; G131-G133 PolarHBondContact O-N 2.88Å; G131-A134 WeakPolarHBondContact O-CB 3.49Å; G131-A134 PolarHBondContact O-N 2.81Å; G131-E135 WeakPolarHBondContact O-CG 3.46Å; G131-E135 PolarHBondContact O-N 3.26Å
132D97.5Very high95.4Very high88 Ų8873.9 Ų73.947%0.47140%0.399SS..Hα-helixtrans-57-36.6-177.7179.463.7000113.3A134 E135 K136D132-A134 VanDerWaalsContact C-N 3.34Å; D132-A134 PolarHBondContact O-N 2.98Å; D132-E135 PolarHBondContact O-N 3.23Å; D132-K136 WeakPolarHBondContact O-CB 3.37Å; D132-K136 WeakPolarHBondContact O-CG 3.43Å; D132-K136 PolarHBondContact O-N 3.25Å; D132-K136 WeakPolarHBondContact OD1-CE 3.24Å; D132-K136 IonicContact OD1-NZ 2.65Å; D132-K136 WeakPolarHBondContact OD2-CD 3.35Å; D132-K136 WeakPolarHBondContact OD2-CE 3.41Å; D132-K136 IonicContact OD2-NZ 2.78Å; D132-K136 PolarHBondContact OD2-NZ 3.21Å
133G98.1Very high96.2Very high40 Ų4067.9 Ų67.941%0.41237%0.37SS..Hα-helixtrans-62.7-40.6176.100000112.6V130 G131 F137V130-G133 PolarHBondContact O-N 3.14Å; G131-G133 VanDerWaalsContact C-N 3.26Å; G131-G133 PolarHBondContact O-N 2.88Å; G133-F137 WeakPolarHBondContact O-CB 3.39Å; G133-F137 PolarHBondContact O-N 2.7Å; G133-F137 VanDerWaalsContact O-N 3.09Å
134A98.4Very high96.6Very high0 Ų067.6 Ų67.60%037%0.365CS..Hα-helixtrans-69.3-38.9174.500000112.4V95 V98 L129 V130 G131 D132 F137 A138V95-A134 HydrophobicContact CB-CB 4.48Å; V98-A134 HydrophobicContact CG1-CB 3.54Å; L129-A134 HydrophobicContact CB-CB 3.86Å; V130-A134 PolarHBondContact O-N 2.84Å; G131-A134 WeakPolarHBondContact O-CB 3.49Å; G131-A134 PolarHBondContact O-N 2.81Å; D132-A134 VanDerWaalsContact C-N 3.34Å; D132-A134 PolarHBondContact O-N 2.98Å; A134-F137 PolarHBondContact O-N 2.99Å; A134-A138 WeakPolarHBondContact O-CB 3.01Å; A134-A138 PolarHBondContact O-N 3.18Å
135E98.3Very high97.2Very high9 Ų964 Ų644%0.04234%0.341CS..Hα-helixtrans-66.4-42.8177.6-59.7-153.8134.900111.9V98 R99 S100 G131 D132 F137 A138 Q139V98-E135 HydrophobicContact CG1-CG 4.35Å; R99-E135 WeakPolarHBondContact CG-OE1 3.31Å; R99-E135 IonicContact CZ-OE2 3.07Å; R99-E135 PolarHBondContact N-OE1 3.49Å; R99-E135 IonicContact NE-OE1 3.71Å; R99-E135 IonicContact NE-OE2 3.08Å; R99-E135 PolarHBondContact NE-OE2 2.94Å; R99-E135 IonicContact NH2-OE2 3.82Å; R99-E135 PolarHBondContact NH2-OE2 2.9Å; S100-E135 WeakPolarHBondContact CB-OE1 3.25Å; S100-E135 PolarHBondContact N-OE1 3.38Å; S100-E135 PolarHBondContact OG-OE1 3.12Å; S100-E135 PolarHBondContact OG-OE2 3.01Å; G131-E135 WeakPolarHBondContact O-CG 3.46Å; G131-E135 PolarHBondContact O-N 3.26Å; D132-E135 PolarHBondContact O-N 3.23Å; E135-F137 VanDerWaalsContact C-N 3.32Å; E135-F137 PolarHBondContact O-N 3.44Å; E135-A138 WeakPolarHBondContact O-CB 3.3Å; E135-A138 PolarHBondContact O-N 3.38Å; E135-Q139 WeakPolarHBondContact O-CG 3.27Å; E135-Q139 PolarHBondContact O-N 3.32Å
136K98.3Very high97.6Very high109 Ų10960.4 Ų60.447%0.47433%0.33SS..Hα-helixtrans-62.5-39.3174.2-75.8171.8175.2165.10112.1D132 R140D132-K136 WeakPolarHBondContact O-CB 3.37Å; D132-K136 WeakPolarHBondContact O-CG 3.43Å; D132-K136 PolarHBondContact O-N 3.25Å; D132-K136 WeakPolarHBondContact OD1-CE 3.24Å; D132-K136 IonicContact OD1-NZ 2.65Å; D132-K136 WeakPolarHBondContact OD2-CD 3.35Å; D132-K136 WeakPolarHBondContact OD2-CE 3.41Å; D132-K136 IonicContact OD2-NZ 2.78Å; D132-K136 PolarHBondContact OD2-NZ 3.21Å; K136-R140 WeakPolarHBondContact O-CB 3.26Å; K136-R140 PolarHBondContact O-N 3.24Å; K136-R140 VanDerWaalsContact O-N 3.07Å
137F98.1Very high97.8Very high22 Ų2262.5 Ų62.510%0.09633%0.334CS..Hα-helixtrans-63.4-47.6172.9176.6-101.5000111V107 L111 E114 L129 G133 A134 E135 Q139 R140 I141V107-F137 HydrophobicContact CG1-CD1 3.65Å; V107-F137 HydrophobicContact CG1-CE1 3.93Å; L111-F137 HydrophobicContact CB-CE1 3.89Å; L111-F137 HydrophobicContact CB-CZ 4.12Å; L111-F137 HydrophobicContact CD1-CE1 4.38Å; L111-F137 HydrophobicContact CD1-CZ 4.13Å; E114-F137 HydrophobicContact CG-CE2 4.3Å; E114-F137 HydrophobicContact CG-CZ 4.17Å; L129-F137 HydrophobicContact CD1-CB 3.69Å; L129-F137 HydrophobicContact CD1-CD1 3.9Å; L129-F137 HydrophobicContact CD1-CD2 4.07Å; L129-F137 HydrophobicContact CD1-CG 3.61Å; G133-F137 WeakPolarHBondContact O-CB 3.39Å; G133-F137 PolarHBondContact O-N 2.7Å; G133-F137 VanDerWaalsContact O-N 3.09Å; A134-F137 PolarHBondContact O-N 2.99Å; E135-F137 VanDerWaalsContact C-N 3.32Å; E135-F137 PolarHBondContact O-N 3.44Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 2.97Å; F137-R140 WeakPolarHBondContact O-CB 3.34Å; F137-R140 PolarHBondContact O-N 3.45Å; F137-R140 VanDerWaalsContact O-N 3.09Å; F137-I141 HydrophobicContact CD1-CD1 4.48Å; F137-I141 HydrophobicContact CD2-CG2 4.27Å; F137-I141 HydrophobicContact CE1-CD1 4.03Å; F137-I141 HydrophobicContact CE1-CG2 4.09Å; F137-I141 HydrophobicContact CE2-CG2 3.82Å; F137-I141 HydrophobicContact CZ-CG2 3.73Å; F137-I141 WeakPolarHBondContact O-CG2 3.33Å; F137-I141 PolarHBondContact O-N 3.01Å; F137-I141 VanDerWaalsContact O-N 3.09Å
138A98.5Very high98Very high0 Ų059.8 Ų59.80%033%0.327CS..Hα-helixtrans-56.4-43.6177.200000112.3V101 V107 A134 E135 I141 G142 A143 I145V101-A138 HydrophobicContact CG2-CB 3.74Å; V107-A138 HydrophobicContact CG1-CB 3.91Å; V107-A138 HydrophobicContact CG2-CB 3.79Å; A134-A138 WeakPolarHBondContact O-CB 3.01Å; A134-A138 PolarHBondContact O-N 3.18Å; E135-A138 WeakPolarHBondContact O-CB 3.3Å; E135-A138 PolarHBondContact O-N 3.38Å; A138-I141 WeakPolarHBondContact O-CG1 3.31Å; A138-I141 PolarHBondContact O-N 2.95Å; A138-G142 PolarHBondContact O-N 2.81Å; A138-A143 HydrophobicContact CB-CB 4.01Å; A138-A143 WeakPolarHBondContact O-CB 3.48Å; A138-A143 PolarHBondContact O-N 3.24Å; A138-I145 HydrophobicContact CB-CD1 3.82Å
139Q98.1Very high97.9Very high113 Ų11364 Ų6453%0.52834%0.341SS..Hα-helixtrans-60.3-47174.1-74.5168.83.500112E135 F137 I141 G142 I145E135-Q139 WeakPolarHBondContact O-CG 3.27Å; E135-Q139 PolarHBondContact O-N 3.32Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 2.97Å; Q139-I141 VanDerWaalsContact C-N 3.29Å; Q139-I141 PolarHBondContact O-N 3.23Å; Q139-G142 PolarHBondContact O-N 2.73Å; Q139-I145 HydrophobicContact CG-CD1 4.14Å; Q139-I145 HydrophobicContact CG-CG1 3.74Å
140R97.6Very high97.9Very high200 Ų20065.3 Ų65.376%0.75535%0.351SS*.Hα-helixtrans-60.7-36.9-177.9-170.8-173.5-51.9171.95.2113K136 F137 G142K136-R140 WeakPolarHBondContact O-CB 3.26Å; K136-R140 PolarHBondContact O-N 3.24Å; K136-R140 VanDerWaalsContact O-N 3.07Å; F137-R140 WeakPolarHBondContact O-CB 3.34Å; F137-R140 PolarHBondContact O-N 3.45Å; F137-R140 VanDerWaalsContact O-N 3.09Å; R140-G142 PolarHBondContact O-N 2.8Å
141I96.9Very high97.9Very high41 Ų4161.9 Ų61.921%0.2133%0.33CS..THydrogen-bonded Turntrans-84.32.6-179.668.4165.4000112.7V107 H110 F137 A138 Q139 A143V107-I141 HydrophobicContact CG1-CD1 4.16Å; V107-I141 HydrophobicContact CG2-CD1 4.48Å; H110-I141 HydrophobicContact CB-CD1 3.46Å; H110-I141 VanDerWaalsContact CB-CD1 3.46Å; H110-I141 WeakPolarHBondContact CD2-CG2 3.3Å; H110-I141 WeakPolarHBondContact NE2-CG2 3.49Å; F137-I141 HydrophobicContact CD1-CD1 4.48Å; F137-I141 HydrophobicContact CD2-CG2 4.27Å; F137-I141 HydrophobicContact CE1-CD1 4.03Å; F137-I141 HydrophobicContact CE1-CG2 4.09Å; F137-I141 HydrophobicContact CE2-CG2 3.82Å; F137-I141 HydrophobicContact CZ-CG2 3.73Å; F137-I141 WeakPolarHBondContact O-CG2 3.33Å; F137-I141 PolarHBondContact O-N 3.01Å; F137-I141 VanDerWaalsContact O-N 3.09Å; A138-I141 WeakPolarHBondContact O-CG1 3.31Å; A138-I141 PolarHBondContact O-N 2.95Å; Q139-I141 VanDerWaalsContact C-N 3.29Å; Q139-I141 PolarHBondContact O-N 3.23Å; I141-A143 HydrophobicContact CD1-CB 4.26Å; I141-A143 HydrophobicContact CG1-CB 4.11Å
142G97.8Very high97.9Very high66 Ų6662 Ų6268%0.6833%0.326SS*.THydrogen-bonded Turntrans71.626.8-177.800000113.9A138 Q139 R140A138-G142 PolarHBondContact O-N 2.81Å; Q139-G142 PolarHBondContact O-N 2.73Å; R140-G142 PolarHBondContact O-N 2.8Å
143A97.6Very high97.9Very high25 Ų2558 Ų5821%0.20731%0.305CS..  trans-64.3154.5173.800000110.9V107 A138 I141 I145V107-A143 HydrophobicContact CG2-CB 3.86Å; A138-A143 HydrophobicContact CB-CB 4.01Å; A138-A143 WeakPolarHBondContact O-CB 3.48Å; A138-A143 PolarHBondContact O-N 3.24Å; I141-A143 HydrophobicContact CD1-CB 4.26Å; I141-A143 HydrophobicContact CG1-CB 4.11Å; A143-I145 PolarHBondContact O-N 2.89Å
144H97.4Very high97.8Very high119 Ų11960.5 Ų60.555%0.55132%0.316SS*.  trans-72.5100.6178.1-173.4-172.7000110.5K102K102-H144 HydrophobicContact CB-CB 4.17Å; K102-H144 WeakPolarHBondContact CB-O 3.22Å; K102-H144 PolarHBondContact N-O 3.29Å
145I98.1Very high97.5Very high56 Ų5663.5 Ų63.529%0.28733%0.327SS..BIsolated β-bridgetrans-89135.5174.9-53.5-55.3000109.7S100 V101 A138 Q139 A143S100-I145 CarbonylContact O-C 3.56Å; S100-I145 VanDerWaalsContact O-CA 3.26Å; S100-I145 WeakPolarHBondContact O-CA 3.47Å; V101-I145 HydrophobicContact CG2-CD1 4.08Å; A138-I145 HydrophobicContact CB-CD1 3.82Å; Q139-I145 HydrophobicContact CG-CD1 4.14Å; Q139-I145 HydrophobicContact CG-CG1 3.74Å; A143-I145 PolarHBondContact O-N 2.89Å
146V97.9Very high97.3Very high25 Ų2563.3 Ų63.315%0.15233%0.327CS..  trans-129.2157.2-179.9-61.90000110.3S100 K102 M151S100-V146 WeakPolarHBondContact CA-O 3.22Å; S100-V146 VanDerWaalsContact CB-O 3.31Å; S100-V146 WeakPolarHBondContact CB-O 3.3Å; S100-V146 PolarHBondContact O-N 3.17Å; K102-V146 HydrophobicContact CB-CG1 4.11Å; K102-V146 HydrophobicContact CD-CG1 4.45Å; V146-M151 HydrophobicContact CG2-CG 3.84Å; V146-M151 HydrophobicContact CG2-SD 3.79Å
147E97.9Very high97.2Very high113 Ų11362.3 Ų62.353%0.52832%0.32SS..  trans-62.2130.6172.7-61.9-177.2135.400109.8K149 T150E147-K149 HydrophobicContact CB-CG 4.24Å; E147-K149 PolarHBondContact O-N 2.81Å; E147-K149 IonicContact OE1-NZ 3.85Å; E147-K149 WeakPolarHBondContact OE2-CE 3.34Å; E147-K149 IonicContact OE2-NZ 2.67Å; E147-K149 PolarHBondContact OE2-NZ 2.79Å; E147-K149 VanDerWaalsContact OE2-NZ 3.08Å; E147-T150 HydrophobicContact CB-CG2 4.05Å; E147-T150 WeakPolarHBondContact O-CB 3.45Å; E147-T150 PolarHBondContact O-N 3.46Å; E147-T150 PolarHBondContact O-OG1 3.25Å
148P97.7Very high97Very high50 Ų5069.7 Ų69.733%0.32535%0.347SS..G310 helixtrans-51.6-36.4-175.7-32.235.9000114.9R99 S100 T150 M151R99-P148 HydrophobicContact CB-CB 4.37Å; R99-P148 HydrophobicContact CB-CG 4.44Å; R99-P148 HydrophobicContact CG-CG 4.18Å; S100-P148 WeakPolarHBondContact OG-CG 3.35Å; P148-T150 PolarHBondContact O-N 3.12Å; P148-M151 WeakPolarHBondContact O-CB 3.49Å; P148-M151 PolarHBondContact O-N 3.03Å
149K97.7Very high96.6Very high136 Ų13671.2 Ų71.259%0.59136%0.356SS*.G310 helixtrans-60.6-25.5177.765.9-178.8175.5-171.50113.6E147 M151 I152E147-K149 HydrophobicContact CB-CG 4.24Å; E147-K149 PolarHBondContact O-N 2.81Å; E147-K149 IonicContact OE1-NZ 3.85Å; E147-K149 WeakPolarHBondContact OE2-CE 3.34Å; E147-K149 IonicContact OE2-NZ 2.67Å; E147-K149 PolarHBondContact OE2-NZ 2.79Å; E147-K149 VanDerWaalsContact OE2-NZ 3.08Å; K149-M151 VanDerWaalsContact C-N 3.29Å; K149-I152 PolarHBondContact O-N 2.71Å
150T97.7Very high96.4Very high66 Ų6666.2 Ų66.241%0.40533%0.333SS..G310 helixtrans-76.8-18178.5680000112.4F68 E147 P148 I152F68-T150 WeakPolarHBondContact CD2-O 3.42Å; F68-T150 VanDerWaalsContact CE2-O 3.23Å; F68-T150 WeakPolarHBondContact CE2-O 3.19Å; E147-T150 HydrophobicContact CB-CG2 4.05Å; E147-T150 WeakPolarHBondContact O-CB 3.45Å; E147-T150 PolarHBondContact O-N 3.46Å; E147-T150 PolarHBondContact O-OG1 3.25Å; P148-T150 PolarHBondContact O-N 3.12Å; T150-I152 PolarHBondContact O-N 3.47Å
151M98.1Very high96.2Very high1 Ų162.4 Ų62.41%0.00532%0.322CS..G310 helixtrans-74.6-16.7173.3-67-65.5-76.900112.2G67 F68 G69 V78 V101 K102 V146 P148 K149G67-M151 VanDerWaalsContact C-CE 3.43Å; F68-M151 WeakPolarHBondContact CD2-O 3.5Å; G69-M151 PolarHBondContact N-O 2.94Å; V78-M151 HydrophobicContact CB-CB 3.97Å; V78-M151 HydrophobicContact CG1-CB 3.99Å; V78-M151 HydrophobicContact CG1-CE 4.5Å; V78-M151 HydrophobicContact CG2-CB 4.19Å; V101-M151 WeakPolarHBondContact O-CE 3.42Å; K102-M151 HydrophobicContact CD-SD 4.29Å; V146-M151 HydrophobicContact CG2-CG 3.84Å; V146-M151 HydrophobicContact CG2-SD 3.79Å; P148-M151 WeakPolarHBondContact O-CB 3.49Å; P148-M151 PolarHBondContact O-N 3.03Å; K149-M151 VanDerWaalsContact C-N 3.29Å
152I98Very high95.8Very high24 Ų2466.7 Ų66.712%0.12334%0.335CS..  trans-84.4115.4180-55.6169.8000109.7L72 E76 V78 K149 T150 R157L72-I152 HydrophobicContact CD1-CG2 4.07Å; L72-I152 HydrophobicContact CD2-CG1 3.95Å; L72-I152 HydrophobicContact CD2-CG2 4.11Å; E76-I152 VanDerWaalsContact O-CD1 3.26Å; E76-I152 WeakPolarHBondContact O-CD1 3.24Å; V78-I152 HydrophobicContact CG2-CG1 4.06Å; K149-I152 PolarHBondContact O-N 2.71Å; T150-I152 PolarHBondContact O-N 3.47Å; I152-R157 HydrophobicContact CG2-CB 4.1Å
153S96.6Very high95.3Very high4 Ų464 Ų643%0.02831%0.306CS..  trans-83.115917477.50000111.5G69 R155 S156 R157G69-S153 WeakPolarHBondContact CA-OG 3.49Å; S153-R155 PolarHBondContact O-N 3.18Å; S153-R155 PolarHBondContact OG-N 2.92Å; S153-S156 PolarHBondContact N-OG 3.23Å; S153-S156 PolarHBondContact O-N 2.97Å; S153-S156 PolarHBondContact O-OG 3.39Å; S153-S156 PolarHBondContact OG-N 2.83Å; S153-S156 PolarHBondContact OG-OG 3.03Å; S153-R157 PolarHBondContact O-N 3.27Å; S153-R157 VanDerWaalsContact O-N 3.11Å
154S96.4Very high94.8Very high92 Ų9266.9 Ų66.964%0.64332%0.317SS*.Hα-helixtrans-60.2-30.1171.458.90000112.3R158S154-R158 WeakPolarHBondContact O-CB 3.37Å; S154-R158 PolarHBondContact O-N 3.16Å
155R93Very high94.1Very high63 Ų6365.3 Ų65.324%0.23832%0.32CS..Hα-helixtrans-67.3-53.6175.1-174.8-167.3179.7102.10.4110.9D22 P62 S153 R157 R158 V159D22-R155 VanDerWaalsContact CG-NH1 3.28Å; D22-R155 IonicContact OD1-CZ 3.69Å; D22-R155 IonicContact OD1-NH1 3.46Å; D22-R155 PolarHBondContact OD1-NH1 2.8Å; D22-R155 IonicContact OD1-NH2 2.61Å; D22-R155 IonicContact OD2-CZ 2.63Å; D22-R155 IonicContact OD2-NH1 3.43Å; D22-R155 PolarHBondContact OD2-NH1 2.92Å; D22-R155 IonicContact OD2-NH2 3.17Å; D22-R155 PolarHBondContact OD2-NH2 2.87Å; P62-R155 WeakPolarHBondContact O-CD 3.35Å; S153-R155 PolarHBondContact O-N 3.18Å; S153-R155 PolarHBondContact OG-N 2.92Å; R155-R157 VanDerWaalsContact C-N 3.34Å; R155-R157 PolarHBondContact O-N 3.15Å; R155-R158 WeakPolarHBondContact O-CB 3.2Å; R155-R158 PolarHBondContact O-N 3.34Å; R155-R158 VanDerWaalsContact O-N 3.11Å; R155-V159 WeakPolarHBondContact O-CG2 3.21Å; R155-V159 PolarHBondContact O-N 3.38Å
156S94Very high93.1Very high5 Ų566.3 Ų66.34%0.03532%0.323CS..Hα-helixtrans-64.3-39.6-17659.10000111.8G69 S70 S153 R158 V159 F160G69-S156 WeakPolarHBondContact O-CB 3.25Å; S70-S156 VanDerWaalsContact O-CB 3.25Å; S70-S156 WeakPolarHBondContact O-CB 3.44Å; S153-S156 PolarHBondContact N-OG 3.23Å; S153-S156 PolarHBondContact O-N 2.97Å; S153-S156 PolarHBondContact O-OG 3.39Å; S153-S156 PolarHBondContact OG-N 2.83Å; S153-S156 PolarHBondContact OG-OG 3.03Å; S156-R158 PolarHBondContact O-N 3.42Å; S156-V159 PolarHBondContact O-N 3.33Å; S156-F160 WeakPolarHBondContact O-CB 3.36Å; S156-F160 PolarHBondContact O-N 3.48Å
157R95.8Very high91.6Very high88 Ų8869.7 Ų69.733%0.33234%0.344SS..Hα-helixtrans-59.9-41.8171.7-177.1171.6-71.3124.51.7113E76 I152 S153 R155 K161E76-R157 WeakPolarHBondContact OE1-CG 3.38Å; E76-R157 IonicContact OE1-CZ 2.87Å; E76-R157 IonicContact OE1-NE 2.77Å; E76-R157 PolarHBondContact OE1-NE 2.99Å; I152-R157 HydrophobicContact CG2-CB 4.1Å; S153-R157 PolarHBondContact O-N 3.27Å; S153-R157 VanDerWaalsContact O-N 3.11Å; R155-R157 VanDerWaalsContact C-N 3.34Å; R155-R157 PolarHBondContact O-N 3.15Å; R157-K161 HydrophobicContact CG-CD 4.3Å; R157-K161 WeakPolarHBondContact O-CG 3.41Å; R157-K161 PolarHBondContact O-N 3.15Å
158R93.5Very high89.5Confident176 Ų17673.7 Ų73.766%0.66436%0.362SS*.Hα-helixtrans-65.9-43.3178-172.1-170.9-57.1158.32.6111.7S154 R155 S156 R162S154-R158 WeakPolarHBondContact O-CB 3.37Å; S154-R158 PolarHBondContact O-N 3.16Å; R155-R158 WeakPolarHBondContact O-CB 3.2Å; R155-R158 PolarHBondContact O-N 3.34Å; R155-R158 VanDerWaalsContact O-N 3.11Å; S156-R158 PolarHBondContact O-N 3.42Å; R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 3Å
159V90.7Very high87.4Confident32 Ų3276.3 Ų76.319%0.19438%0.378CS..Hα-helixtrans-61.6-48.5177.1172.50000110.1R155 S156 K161 R162 V163 L176 L202R155-V159 WeakPolarHBondContact O-CG2 3.21Å; R155-V159 PolarHBondContact O-N 3.38Å; S156-V159 PolarHBondContact O-N 3.33Å; V159-K161 PolarHBondContact O-N 3.49Å; V159-R162 PolarHBondContact O-N 2.85Å; V159-V163 WeakPolarHBondContact O-CG2 3.42Å; V159-V163 PolarHBondContact O-N 2.96Å; V159-L176 HydrophobicContact CG1-CD2 3.79Å; V159-L202 HydrophobicContact CG1-CD1 4.48Å; V159-L202 HydrophobicContact CG1-CD2 3.95Å
160F92.9Very high85.2Confident8 Ų871.5 Ų71.54%0.03536%0.358CS..Hα-helixtrans-55.6-53.1177179.4-99.1000112.5L72 N73 E76 S156 R162 V163 L164 L202 L203L72-F160 HydrophobicContact CB-CB 4.3Å; L72-F160 HydrophobicContact CB-CD2 3.61Å; L72-F160 HydrophobicContact CB-CE2 4.06Å; L72-F160 HydrophobicContact CB-CG 4.06Å; L72-F160 HydrophobicContact CD1-CB 3.83Å; L72-F160 HydrophobicContact CD1-CD1 4.36Å; L72-F160 HydrophobicContact CD1-CD2 4.4Å; L72-F160 HydrophobicContact CD1-CG 3.98Å; L72-F160 HydrophobicContact CG-CB 4.31Å; L72-F160 HydrophobicContact CG-CD2 4.48Å; L72-F160 HydrophobicContact CG-CG 4.48Å; N73-F160 WeakPolarHBondContact O-CE2 3.39Å; E76-F160 HydrophobicContact CB-CD1 4.45Å; E76-F160 HydrophobicContact CB-CE1 3.77Å; E76-F160 HydrophobicContact CB-CZ 3.91Å; E76-F160 HydrophobicContact CG-CD1 3.84Å; E76-F160 HydrophobicContact CG-CE1 3.63Å; E76-F160 HydrophobicContact CG-CZ 4.2Å; S156-F160 WeakPolarHBondContact O-CB 3.36Å; S156-F160 PolarHBondContact O-N 3.48Å; F160-R162 VanDerWaalsContact C-N 3.33Å; F160-R162 PolarHBondContact O-N 3.37Å; F160-V163 PolarHBondContact O-N 2.88Å; F160-L164 HydrophobicContact CD1-CD1 3.84Å; F160-L164 HydrophobicContact CD1-CG 4.49Å; F160-L164 HydrophobicContact CE1-CD1 3.25Å; F160-L164 HydrophobicContact CE1-CG 4.21Å; F160-L164 HydrophobicContact CE2-CD1 4.26Å; F160-L164 HydrophobicContact CZ-CD1 3.51Å; F160-L164 HydrophobicContact CZ-CG 4.26Å; F160-L164 PolarHBondContact O-N 3.22Å; F160-L202 HydrophobicContact CB-CD1 4.45Å; F160-L202 HydrophobicContact CD2-CD1 4.33Å; F160-L203 HydrophobicContact CD2-CD2 3.46Å; F160-L203 VanDerWaalsContact CD2-CD2 3.46Å; F160-L203 HydrophobicContact CE2-CD2 3.21Å; F160-L203 HydrophobicContact CZ-CD2 4.16Å
161K93.4Very high82.9Confident121 Ų12175.7 Ų75.753%0.52637%0.373SS..Hα-helixtrans-60-40.7178.7-72.5-175.7177.8-166.40112.9R157 V159 V163 L164 S165R157-K161 HydrophobicContact CG-CD 4.3Å; R157-K161 WeakPolarHBondContact O-CG 3.41Å; R157-K161 PolarHBondContact O-N 3.15Å; V159-K161 PolarHBondContact O-N 3.49Å; K161-V163 VanDerWaalsContact C-N 3.34Å; K161-L164 PolarHBondContact O-N 3.13Å; K161-S165 PolarHBondContact O-N 2.92Å; K161-S165 PolarHBondContact O-OG 3.05Å
162R89.5Confident80.6Confident130 Ų13079.2 Ų79.249%0.49140%0.395SS..Hα-helixtrans-63-41.4177.7-178.1-179.3179.9-175.61111.4R158 V159 F160 S165 H166R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 3Å; V159-R162 PolarHBondContact O-N 2.85Å; F160-R162 VanDerWaalsContact C-N 3.33Å; F160-R162 PolarHBondContact O-N 3.37Å; R162-S165 PolarHBondContact O-OG 3.39Å; R162-H166 PolarHBondContact O-ND1 3.48Å
163V87.4Confident78.3Confident11 Ų1180.7 Ų80.77%0.06741%0.407CS..Hα-helixtrans-70.4-44.5179.3176.30000110.8V159 F160 K161 S165 H166 V167 L176 L202 L203V159-V163 WeakPolarHBondContact O-CG2 3.42Å; V159-V163 PolarHBondContact O-N 2.96Å; F160-V163 PolarHBondContact O-N 2.88Å; K161-V163 VanDerWaalsContact C-N 3.34Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 3.45Å; V163-H166 CarbonylContact O-C 3.5Å; V163-H166 PolarHBondContact O-N 2.94Å; V163-V167 VanDerWaalsContact O-CG2 3.24Å; V163-V167 WeakPolarHBondContact O-CG2 3.25Å; V163-V167 PolarHBondContact O-N 3.39Å; V163-L176 HydrophobicContact CG2-CD1 3.99Å; V163-L176 HydrophobicContact CG2-CD2 3.37Å; V163-L176 HydrophobicContact CG2-CG 4.26Å; V163-L202 HydrophobicContact CB-CD2 3.93Å; V163-L202 HydrophobicContact CG1-CD2 4.17Å; V163-L202 HydrophobicContact CG2-CD2 3.53Å; V163-L203 HydrophobicContact CG1-CD1 3.87Å
164L85.9Confident76.1Confident85 Ų8587.7 Ų87.745%0.44544%0.437SS..Hα-helixtrans-57.4-38.9175.9-77.2-176000113.1F160 K161 H166 V167 L203F160-L164 HydrophobicContact CD1-CD1 3.84Å; F160-L164 HydrophobicContact CD1-CG 4.49Å; F160-L164 HydrophobicContact CE1-CD1 3.25Å; F160-L164 HydrophobicContact CE1-CG 4.21Å; F160-L164 HydrophobicContact CE2-CD1 4.26Å; F160-L164 HydrophobicContact CZ-CD1 3.51Å; F160-L164 HydrophobicContact CZ-CG 4.26Å; F160-L164 PolarHBondContact O-N 3.22Å; K161-L164 PolarHBondContact O-N 3.13Å; L164-H166 PolarHBondContact O-N 3.45Å; L164-V167 HydrophobicContact CD2-CG2 4.46Å; L164-L203 HydrophobicContact CD2-CD1 4.12Å; L164-L203 HydrophobicContact CD2-CD2 3.95Å; L164-L203 HydrophobicContact CG-CD2 4.25Å
165S83.9Confident73.8Confident86 Ų8686.7 Ų86.760%0.60142%0.424SS*.THydrogen-bonded Turntrans-76.1-4.5179.4760000114.3K161 R162 V163K161-S165 PolarHBondContact O-N 2.92Å; K161-S165 PolarHBondContact O-OG 3.05Å; R162-S165 PolarHBondContact O-OG 3.39Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 3.45Å
166H77.4Confident72Confident77 Ų7785.1 Ų85.136%0.35642%0.42SS..THydrogen-bonded Turntrans-136.924-177.6-56.983.4000112.5R162 V163 L164 E168 T169 I170R162-H166 PolarHBondContact O-ND1 3.48Å; V163-H166 CarbonylContact O-C 3.5Å; V163-H166 PolarHBondContact O-N 2.94Å; L164-H166 PolarHBondContact O-N 3.45Å; H166-E168 PolarHBondContact O-N 3.36Å; H166-E168 VanDerWaalsContact O-N 3.08Å; H166-T169 WeakPolarHBondContact CB-OG1 3.46Å; H166-T169 PolarHBondContact O-N 2.93Å; H166-T169 PolarHBondContact O-OG1 3.49Å; H166-I170 HydrophobicContact CB-CD1 3.41Å; H166-I170 VanDerWaalsContact CB-CD1 3.41Å; H166-I170 HydrophobicContact CB-CG1 3.5Å; H166-I170 PolarHBondContact O-N 3.49Å; H166-I170 VanDerWaalsContact O-N 3.1Å
167V65.1Low69.9Low96 Ų9686.2 Ų86.258%0.58243%0.427SS*.THydrogen-bonded Turntrans-54.9-30.5179.8177.80000111.2V163 L164V163-V167 VanDerWaalsContact O-CG2 3.24Å; V163-V167 WeakPolarHBondContact O-CG2 3.25Å; V163-V167 PolarHBondContact O-N 3.39Å; L164-V167 HydrophobicContact CD2-CG2 4.46Å
168E55.4Low67.9Low196 Ų19684.8 Ų84.892%0.91643%0.425SS*.THydrogen-bonded Turntrans-78.9-14.8178.2-63.2-179.117200114.7H166H166-E168 PolarHBondContact O-N 3.36Å; H166-E168 VanDerWaalsContact O-N 3.08Å
169T53.9Low66.9Low106 Ų10676.8 Ų76.865%0.6540%0.395SS*.THydrogen-bonded Turntrans-126-15.7-168.443.50000116.1H166H166-T169 WeakPolarHBondContact CB-OG1 3.46Å; H166-T169 PolarHBondContact O-N 2.93Å; H166-T169 PolarHBondContact O-OG1 3.49Å
170I51Low67.1Low34 Ų3475.4 Ų75.417%0.17439%0.387CS..  trans-88.8118.2-174.9-64.6177.4000111.6H166 T172 L175H166-I170 HydrophobicContact CB-CD1 3.41Å; H166-I170 VanDerWaalsContact CB-CD1 3.41Å; H166-I170 HydrophobicContact CB-CG1 3.5Å; H166-I170 PolarHBondContact O-N 3.49Å; H166-I170 VanDerWaalsContact O-N 3.1Å; I170-T172 VanDerWaalsContact C-N 3.35Å; I170-T172 HydrophobicContact CG2-CG2 4.44Å; I170-T172 PolarHBondContact O-N 2.97Å; I170-L175 HydrophobicContact CG2-CD1 4.21Å
171Q48.9Very low67.3Low155 Ų15575 Ų7572%0.72439%0.385SS*.  trans-62.698149.5-76.3179.4-12.600108.2S173Q171-S173 PolarHBondContact O-N 3.01Å; Q171-S173 VanDerWaalsContact O-N 3.08Å
172T50.5Low67.6Low75 Ų7569.2 Ų69.246%0.4636%0.36SS..G310 helixtrans-58.1-21.9-164.636.50000115.5I170I170-T172 VanDerWaalsContact C-N 3.35Å; I170-T172 HydrophobicContact CG2-CG2 4.44Å; I170-T172 PolarHBondContact O-N 2.97Å
173S48.6Very low68Low54 Ų5463 Ų6338%0.37834%0.337SS..G310 helixtrans-75.6-29.1-17162.50000115.3Q171Q171-S173 PolarHBondContact O-N 3.01Å; Q171-S173 VanDerWaalsContact O-N 3.08Å
174K50.1Low68.6Low151 Ų15162.5 Ų62.566%0.65733%0.333SS*.G310 helixtrans-82.9-15.7-172.8-72.9-174.3180175.40115.2
175L49.6Very low69.2Low72 Ų7258.5 Ų58.538%0.37731%0.312SS..THydrogen-bonded Turntrans-120.6-9.9-162.8-79.7166.5000115.5I170I170-L175 HydrophobicContact CG2-CD1 4.21Å
176L53.9Low69.9Low29 Ų2954.4 Ų54.415%0.15228%0.284CS..  trans-111.6118.5-172.8-57.1179.3000109.8V159 V163 M178 L202V159-L176 HydrophobicContact CG1-CD2 3.79Å; V163-L176 HydrophobicContact CG2-CD1 3.99Å; V163-L176 HydrophobicContact CG2-CD2 3.37Å; V163-L176 HydrophobicContact CG2-CG 4.26Å; L176-M178 PolarHBondContact O-N 3.36Å; L176-L202 HydrophobicContact CD1-CD2 3.72Å; L176-L202 HydrophobicContact CD2-CD2 3.9Å; L176-L202 HydrophobicContact CG-CD2 4.39Å
177P50.3Low70.8Confident29 Ų2951 Ų5119%0.18827%0.268CS..  trans-64.385.1162.5-924.4000107.6
178M54.3Low72.2Confident58 Ų5848.2 Ų48.229%0.28625%0.25SS..  trans-61.9129.4147.9-69.1170.8-74.500104.7L176 L289L176-M178 PolarHBondContact O-N 3.36Å; M178-L289 HydrophobicContact CE-CD1 3.09Å; M178-L289 HydrophobicContact SD-CD1 3.93Å
179D72.4Confident74.1Confident7 Ų742.2 Ų42.24%0.03723%0.229CC..  trans-174.4113160.3-92.5-23.3000116.2A13 G14 A15 G16 Y18 N65 S234A13-D179 WeakPolarHBondContact O-CB 3.37Å; G14-D179 VanDerWaalsContact CA-OD1 3.23Å; G14-D179 WeakPolarHBondContact CA-OD1 3.48Å; A15-D179 WeakPolarHBondContact CA-OD1 3.44Å; A15-D179 VanDerWaalsContact N-CG 3.34Å; A15-D179 PolarHBondContact N-OD1 2.85Å; G16-D179 PolarHBondContact N-OD2 2.81Å; Y18-D179 WeakPolarHBondContact CE2-OD2 3.39Å; Y18-D179 PolarHBondContact OH-OD2 2.82Å; N65-D179 WeakPolarHBondContact CB-O 3.39Å; D179-S234 PolarHBondContact OD1-OG 2.88Å
180T94.6Very high76.1Confident3 Ų338.2 Ų38.22%0.01820%0.203CC..  trans-69145.4164-63.60000110H12 G14 C196 S197 S198 H211 S234H12-T180 PolarHBondContact CE1-O 2.99Å; H12-T180 PolarHBondContact ND1-O 3.27Å; G14-T180 WeakPolarHBondContact CA-O 3.45Å; G14-T180 PolarHBondContact N-O 3.23Å; T180-C196 WeakPolarHBondContact CG2-SG 3.3Å; T180-S197 VanDerWaalsContact CG2-O 3.31Å; T180-S197 WeakPolarHBondContact CG2-O 3.25Å; T180-S198 WeakPolarHBondContact OG1-CB 3.11Å; T180-S198 PolarHBondContact OG1-OG 3.11Å; T180-H211 PolarHBondContact OG1-CE1 3.1Å; T180-H211 PolarHBondContact OG1-NE2 3.41Å; T180-S234 PolarHBondContact N-OG 3.11Å; T180-S234 PolarHBondContact O-OG 2.97Å
181V98.2Very high78.3Confident0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-104.8154.6173.1-51.40000110.4H12 T55 L58 T64 A66 C196 S197H12-V181 VanDerWaalsContact CE1-C 3.49Å; T55-V181 HydrophobicContact CG2-CG2 4.35Å; L58-V181 HydrophobicContact CB-CB 3.96Å; L58-V181 HydrophobicContact CB-CG1 4.1Å; L58-V181 HydrophobicContact CB-CG2 3.78Å; L58-V181 HydrophobicContact CD1-CB 3.82Å; L58-V181 HydrophobicContact CD1-CG2 4.14Å; L58-V181 HydrophobicContact CG-CB 4.43Å; T64-V181 HydrophobicContact CG2-CG1 3.59Å; A66-V181 HydrophobicContact CB-CB 4.3Å; A66-V181 HydrophobicContact CB-CG1 3.92Å; A66-V181 HydrophobicContact CB-CG2 3.48Å; A66-V181 VanDerWaalsContact CB-CG2 3.48Å; V181-C196 WeakPolarHBondContact O-CA 3.3Å; V181-S197 PolarHBondContact N-O 3.34Å; V181-S197 PolarHBondContact O-N 3.32Å
182G98.6Very high80.6Confident0 Ų031.8 Ų31.80%017%0.173CC..EExtended strand (participates in β ladder)trans-159.7159.7-178.300000113V11 H12 S195 S232V11-G182 VanDerWaalsContact CA-O 3.27Å; V11-G182 WeakPolarHBondContact CA-O 3.48Å; H12-G182 PolarHBondContact CE1-N 2.71Å; H12-G182 VanDerWaalsContact CE1-N 3.34Å; H12-G182 PolarHBondContact N-O 3.03Å; H12-G182 WeakPolarHBondContact NE2-CA 3.26Å; H12-G182 PolarHBondContact NE2-N 2.67Å; H12-G182 PolarHBondContact O-N 3.34Å; G182-S195 WeakPolarHBondContact CA-O 3.08Å; G182-S232 WeakPolarHBondContact CA-OG 3.42Å
183S98.9Very high82.9Confident0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-136.6147.2176.3-166.10000109.6A10 A194 S195A10-S183 CarbonylContact O-C 3.49Å; A10-S183 VanDerWaalsContact O-CA 3.26Å; A10-S183 WeakPolarHBondContact O-CA 3.47Å; A10-S183 PolarHBondContact O-OG 3.07Å; S183-A194 CarbonylContact O-C 3.58Å; S183-A194 VanDerWaalsContact O-CA 3.31Å; S183-A194 WeakPolarHBondContact O-CA 3.48Å; S183-S195 WeakPolarHBondContact CB-OG 3.27Å; S183-S195 PolarHBondContact N-O 2.97Å; S183-S195 VanDerWaalsContact N-O 3.1Å; S183-S195 PolarHBondContact N-OG 2.61Å; S183-S195 PolarHBondContact O-N 3.38Å
184I98.9Very high85.3Confident0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-129.3143.7167.857176.4000108.1F8 V9 A10 C51 A193 A194 A230 I293 V295 F306F8-I184 HydrophobicContact CE1-CD1 4.41Å; F8-I184 HydrophobicContact CE1-CG1 4.44Å; V9-I184 CarbonylContact C-O 3.11Å; V9-I184 WeakPolarHBondContact CA-O 3.35Å; A10-I184 HydrophobicContact CB-CD1 4.19Å; A10-I184 HydrophobicContact CB-CG1 3.85Å; A10-I184 PolarHBondContact N-O 2.61Å; A10-I184 PolarHBondContact O-N 2.78Å; C51-I184 VanDerWaalsContact SG-C 3.55Å; I184-A193 CarbonylContact C-O 3.55Å; I184-A193 WeakPolarHBondContact CA-O 3.4Å; I184-A194 HydrophobicContact CG2-CB 3.97Å; I184-A230 HydrophobicContact CB-CB 3.99Å; I184-A230 HydrophobicContact CG2-CB 4.01Å; I184-I293 HydrophobicContact CD1-CB 4.25Å; I184-I293 HydrophobicContact CD1-CD1 4.14Å; I184-I293 HydrophobicContact CD1-CG1 3.94Å; I184-I293 HydrophobicContact CG1-CD1 3.89Å; I184-I293 HydrophobicContact CG1-CG1 4.17Å; I184-I293 HydrophobicContact CG2-CG1 4.33Å; I184-V295 HydrophobicContact CB-CG1 4.35Å; I184-V295 HydrophobicContact CD1-CB 3.84Å; I184-V295 HydrophobicContact CD1-CG1 3.87Å; I184-V295 HydrophobicContact CG1-CG1 4.34Å; I184-F306 HydrophobicContact CD1-CD2 4.36Å; I184-F306 HydrophobicContact CD1-CE2 4.11Å
185S98.7Very high87.7Confident0 Ų018.5 Ų18.50%010%0.103CC..EExtended strand (participates in β ladder)trans-142.9152.1176.5-56.90000111.3F8 V9 A47 S50 C51 A192 A193F8-S185 CarbonylContact O-C 3.5Å; F8-S185 WeakPolarHBondContact O-CA 3.47Å; F8-S185 WeakPolarHBondContact O-CB 3.43Å; V9-S185 WeakPolarHBondContact CG2-OG 3.34Å; A47-S185 WeakPolarHBondContact O-CB 3.28Å; S50-S185 WeakPolarHBondContact CB-OG 3.39Å; S50-S185 PolarHBondContact OG-OG 3.39Å; C51-S185 PolarHBondContact SG-N 3.22Å; C51-S185 VanDerWaalsContact SG-N 3.39Å; C51-S185 PolarHBondContact SG-OG 3.2Å; S185-A192 CarbonylContact O-C 3.45Å; S185-A192 WeakPolarHBondContact O-CA 3.23Å; S185-A192 WeakPolarHBondContact O-CB 3.37Å; S185-A193 PolarHBondContact N-O 3.34Å; S185-A193 PolarHBondContact O-N 2.89Å
186V98.1Very high90Very high0 Ų015 Ų150%09%0.085CC..EExtended strand (participates in β ladder)trans-125.5137.5166.4-1770000107.2I6 D7 F8 L191 A192 I228 V295 L304I6-V186 HydrophobicContact CD1-CG1 3.78Å; I6-V186 HydrophobicContact CG1-CG1 4.09Å; D7-V186 WeakPolarHBondContact CA-O 3.49Å; F8-V186 HydrophobicContact CB-CB 4.24Å; F8-V186 PolarHBondContact N-O 3.11Å; F8-V186 PolarHBondContact O-N 3.48Å; V186-L191 CarbonylContact C-O 3.59Å; V186-L191 VanDerWaalsContact CA-O 3.31Å; V186-L191 WeakPolarHBondContact CA-O 3.28Å; V186-A192 HydrophobicContact CG2-CB 4.2Å; V186-I228 HydrophobicContact CG1-CD1 3.99Å; V186-I228 HydrophobicContact CG1-CG2 4.43Å; V186-I228 HydrophobicContact CG2-CG2 4.32Å; V186-V295 HydrophobicContact CG2-CG1 3.68Å; V186-V295 HydrophobicContact CG2-CG2 3.97Å; V186-L304 HydrophobicContact CB-CD1 4.5Å; V186-L304 HydrophobicContact CG2-CD1 4.43Å
187D96.9Very high92.1Very high5 Ų513.7 Ų13.73%0.0278%0.077CC..  trans-108.2167.7176.564.933.5000112.9D7 L41 P46 A47 C189 Q190 L191D7-D187 WeakPolarHBondContact OD1-CA 3.36Å; L41-D187 HydrophobicContact CD2-CB 4.05Å; P46-D187 WeakPolarHBondContact CA-OD2 3.36Å; A47-D187 HydrophobicContact CB-CB 4.07Å; A47-D187 PolarHBondContact N-OD2 2.83Å; D187-C189 PolarHBondContact O-N 3.05Å; D187-C189 VanDerWaalsContact O-N 3.11Å; D187-C189 WeakPolarHBondContact OD1-CA 3.43Å; D187-C189 VanDerWaalsContact OD1-CB 3.26Å; D187-C189 WeakPolarHBondContact OD1-CB 3.42Å; D187-C189 PolarHBondContact OD1-N 3.25Å; D187-Q190 PolarHBondContact O-N 2.7Å; D187-Q190 PolarHBondContact OD1-N 2.87Å; D187-L191 PolarHBondContact N-O 3.15Å; D187-L191 PolarHBondContact OD1-N 2.88Å
188N94.1Very high94.4Very high39 Ų3912.5 Ų12.521%0.2097%0.07CC..THydrogen-bonded Turntrans-63.4-1117867.813.7000114.8T3 K4 D7 Q190T3-N188 WeakPolarHBondContact CA-O 3.29Å; K4-N188 PolarHBondContact N-O 2.82Å; K4-N188 VanDerWaalsContact N-O 3.17Å; K4-N188 WeakPolarHBondContact O-CA 3.36Å; K4-N188 WeakPolarHBondContact O-CB 3.17Å; D7-N188 PolarHBondContact OD1-N 3.18Å; N188-Q190 VanDerWaalsContact C-N 3.26Å
189C95Very high96.4Very high69 Ų699.7 Ų9.747%0.4666%0.056SC..THydrogen-bonded Turntrans-87.15.2172.2-71.80000112.4D187 L191D187-C189 PolarHBondContact O-N 3.05Å; D187-C189 VanDerWaalsContact O-N 3.11Å; D187-C189 WeakPolarHBondContact OD1-CA 3.43Å; D187-C189 VanDerWaalsContact OD1-CB 3.26Å; D187-C189 WeakPolarHBondContact OD1-CB 3.42Å; D187-C189 PolarHBondContact OD1-N 3.25Å; C189-L191 VanDerWaalsContact C-N 3.25Å; C189-L191 PolarHBondContact O-N 3.25Å
190Q95.5Very high97.5Very high23 Ų239.7 Ų9.711%0.1076%0.058CC..SBendtrans63.830.9-177.9-65.617091.600112.8A2 K4 I6 D187 N188 V223 I228A2-Q190 PolarHBondContact O-NE2 3.36Å; K4-Q190 HydrophobicContact CD-CG 4.11Å; K4-Q190 VanDerWaalsContact CE-OE1 3.31Å; K4-Q190 HydrophobicContact CG-CG 4.46Å; I6-Q190 HydrophobicContact CD1-CB 4.45Å; I6-Q190 HydrophobicContact CD1-CG 3.71Å; D187-Q190 PolarHBondContact O-N 2.7Å; D187-Q190 PolarHBondContact OD1-N 2.87Å; N188-Q190 VanDerWaalsContact C-N 3.26Å; Q190-V223 WeakPolarHBondContact O-CG2 3.14Å; Q190-I228 HydrophobicContact CB-CD1 3.73Å; Q190-I228 HydrophobicContact CG-CD1 4.19Å; Q190-I228 WeakPolarHBondContact O-CD1 3.08Å
191L97.7Very high97.4Very high53 Ų5312.5 Ų12.528%0.2777%0.072SC..  trans-106.4154170-64.4170.5000109.9V186 D187 C189 V223V186-L191 CarbonylContact C-O 3.59Å; V186-L191 VanDerWaalsContact CA-O 3.31Å; V186-L191 WeakPolarHBondContact CA-O 3.28Å; D187-L191 PolarHBondContact N-O 3.15Å; D187-L191 PolarHBondContact OD1-N 2.88Å; C189-L191 VanDerWaalsContact C-N 3.25Å; C189-L191 PolarHBondContact O-N 3.25Å; L191-V223 HydrophobicContact CD2-CG2 4.45Å
192A98.5Very high97.1Very high0 Ų014 Ų140%08%0.08CC..EExtended strand (participates in β ladder)trans-125.8157.1176.500000111.8S87 S185 V186 I228 A230S87-A192 VanDerWaalsContact CB-O 3.3Å; S87-A192 WeakPolarHBondContact CB-O 3.1Å; S87-A192 PolarHBondContact N-O 2.89Å; S87-A192 PolarHBondContact OG-N 3.2Å; S87-A192 PolarHBondContact OG-O 2.97Å; S87-A192 VanDerWaalsContact OG-O 3.14Å; S185-A192 CarbonylContact O-C 3.45Å; S185-A192 WeakPolarHBondContact O-CA 3.23Å; S185-A192 WeakPolarHBondContact O-CB 3.37Å; V186-A192 HydrophobicContact CG2-CB 4.2Å; A192-I228 HydrophobicContact CB-CG2 3.37Å; A192-A230 HydrophobicContact CB-CB 3.96Å
193A98.9Very high96.8Very high1 Ų116 Ų161%0.0089%0.091CC..EExtended strand (participates in β ladder)trans-140.7153.7171.200000110.2A47 I48 C51 M85 I184 S185A47-A193 HydrophobicContact CB-CB 4Å; I48-A193 VanDerWaalsContact CA-CB 3.41Å; I48-A193 HydrophobicContact CB-CB 3.85Å; I48-A193 HydrophobicContact CG1-CB 4.35Å; C51-A193 HydrophobicContact CB-CB 4.49Å; C51-A193 PolarHBondContact SG-O 3.11Å; M85-A193 CarbonylContact O-C 3.54Å; M85-A193 WeakPolarHBondContact O-CA 3.43Å; M85-A193 WeakPolarHBondContact O-CB 3.27Å; I184-A193 CarbonylContact C-O 3.55Å; I184-A193 WeakPolarHBondContact CA-O 3.4Å; S185-A193 PolarHBondContact N-O 3.34Å; S185-A193 PolarHBondContact O-N 2.89Å
194A98.9Very high96.6Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-135.5146.3173.300000110L84 M85 S183 I184 C219 W220 A221 A230 V231L84-A194 CarbonylContact C-O 3.54Å; L84-A194 WeakPolarHBondContact CA-O 3.31Å; L84-A194 VanDerWaalsContact CB-O 3.29Å; L84-A194 WeakPolarHBondContact CB-O 3.42Å; M85-A194 PolarHBondContact N-O 3.31Å; M85-A194 PolarHBondContact O-N 3.14Å; S183-A194 CarbonylContact O-C 3.58Å; S183-A194 VanDerWaalsContact O-CA 3.31Å; S183-A194 WeakPolarHBondContact O-CA 3.48Å; I184-A194 HydrophobicContact CG2-CB 3.97Å; A194-C219 HydrophobicContact CB-CB 3.77Å; A194-W220 WeakPolarHBondContact CB-O 3.48Å; A194-A221 HydrophobicContact CB-CB 4.29Å; A194-A230 HydrophobicContact CB-CB 4.24Å; A194-V231 VanDerWaalsContact CB-O 3.24Å; A194-V231 WeakPolarHBondContact CB-O 3.45Å
195S98.9Very high96.6Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-135.2152.617658.50000111.2T55 G83 G182 S183 S232T55-S195 PolarHBondContact OG1-OG 3.08Å; G83-S195 WeakPolarHBondContact O-CA 3.38Å; G182-S195 WeakPolarHBondContact CA-O 3.08Å; S183-S195 WeakPolarHBondContact CB-OG 3.27Å; S183-S195 PolarHBondContact N-O 2.97Å; S183-S195 VanDerWaalsContact N-O 3.1Å; S183-S195 PolarHBondContact N-OG 2.61Å; S183-S195 PolarHBondContact O-N 3.38Å; S195-S232 PolarHBondContact O-OG 3.3Å
196C98.7Very high96.5Very high0 Ų024.6 Ų24.60%013%0.134CC..EExtended strand (participates in β ladder)trans-143.1131.1-179.6-173.40000108.3A82 G83 T180 V181 A212 C219A82-C196 CarbonylContact C-O 3.56Å; A82-C196 VanDerWaalsContact CA-O 3.3Å; A82-C196 WeakPolarHBondContact CA-O 3.13Å; G83-C196 PolarHBondContact N-O 3.09Å; G83-C196 PolarHBondContact O-N 2.93Å; G83-C196 VanDerWaalsContact O-O 3.14Å; T180-C196 WeakPolarHBondContact CG2-SG 3.3Å; V181-C196 WeakPolarHBondContact O-CA 3.3Å; C196-A212 HydrophobicContact CB-CB 4.23Å; C196-C219 HydrophobicContact CB-CB 4.11Å
197S98.7Very high96.5Very high0 Ų026.6 Ų26.60%016%0.155CC..EExtended strand (participates in β ladder)trans-141.4136.3177.8-176.90000110.6E59 D81 T180 V181E59-S197 WeakPolarHBondContact OE1-CB 3.4Å; E59-S197 PolarHBondContact OE1-OG 3.3Å; D81-S197 CarbonylContact O-C 3.59Å; D81-S197 WeakPolarHBondContact O-CA 3.48Å; T180-S197 VanDerWaalsContact CG2-O 3.31Å; T180-S197 WeakPolarHBondContact CG2-O 3.25Å; V181-S197 PolarHBondContact N-O 3.34Å; V181-S197 PolarHBondContact O-N 3.32Å
198S97.8Very high96.5Very high4 Ų428 Ų283%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-149.2142.3-170.6-162.40000112N65 D81 T180 G200N65-S198 CarbonylContact O-C 3.59Å; N65-S198 WeakPolarHBondContact O-CA 3.29Å; D81-S198 PolarHBondContact N-O 3.13Å; D81-S198 PolarHBondContact O-N 3.48Å; T180-S198 WeakPolarHBondContact OG1-CB 3.11Å; T180-S198 PolarHBondContact OG1-OG 3.11Å; S198-G200 VanDerWaalsContact C-N 3.28Å; S198-G200 PolarHBondContact OG-N 3.09Å; S198-G200 VanDerWaalsContact OG-N 3.11Å
199G96.7Very high96.7Very high0 Ų027.9 Ų27.90%016%0.161CC..  trans-82.3-7.6163.400000113N65 S70 K204N65-G199 PolarHBondContact O-N 2.9Å; N65-G199 WeakPolarHBondContact OD1-CA 3.44Å; S70-G199 WeakPolarHBondContact OG-CA 3.42Å; G199-K204 PolarHBondContact O-NZ 3.07Å
200G94.8Very high96.8Very high7 Ų724.6 Ų24.67%0.07214%0.139CC..  trans75.9-163.2-178.400000114.2N65 N71 S198N65-G200 PolarHBondContact ND2-O 3.06Å; N71-G200 PolarHBondContact ND2-O 2.89Å; S198-G200 VanDerWaalsContact C-N 3.28Å; S198-G200 PolarHBondContact OG-N 3.09Å; S198-G200 VanDerWaalsContact OG-N 3.11Å
201L92.8Very high96.9Very high62 Ų6223.6 Ų23.633%0.32513%0.134SC..  trans-70145.9-178.4-54.7174.8000111K204 E238L201-K204 HydrophobicContact CB-CB 4.18Å; L201-K204 WeakPolarHBondContact O-CB 3.5Å; L201-K204 WeakPolarHBondContact O-CG 3.48Å; L201-K204 PolarHBondContact O-N 3.35Å; L201-E238 WeakPolarHBondContact CD1-OE2 3.45Å
202L92.1Very high96.9Very high30 Ų3021.1 Ų21.116%0.15712%0.122CC..THydrogen-bonded Turntrans-68139.4166.1-17369.8000109.5N71 V159 F160 V163 L176 K204N71-L202 HydrophobicContact CB-CB 4.39Å; N71-L202 HydrophobicContact CB-CD1 4.21Å; V159-L202 HydrophobicContact CG1-CD1 4.48Å; V159-L202 HydrophobicContact CG1-CD2 3.95Å; F160-L202 HydrophobicContact CB-CD1 4.45Å; F160-L202 HydrophobicContact CD2-CD1 4.33Å; V163-L202 HydrophobicContact CB-CD2 3.93Å; V163-L202 HydrophobicContact CG1-CD2 4.17Å; V163-L202 HydrophobicContact CG2-CD2 3.53Å; L176-L202 HydrophobicContact CD1-CD2 3.72Å; L176-L202 HydrophobicContact CD2-CD2 3.9Å; L176-L202 HydrophobicContact CG-CD2 4.39Å; L202-K204 PolarHBondContact O-N 3.03Å
203L93.1Very high96.9Very high44 Ų4421.1 Ų21.123%0.2312%0.122CC..THydrogen-bonded Turntrans59.426.8-175.4-51.4-174.5000113.6L72 L74 F160 V163 L164L72-L203 PolarHBondContact O-N 3.2Å; L74-L203 HydrophobicContact CD2-CB 3.97Å; F160-L203 HydrophobicContact CD2-CD2 3.46Å; F160-L203 VanDerWaalsContact CD2-CD2 3.46Å; F160-L203 HydrophobicContact CE2-CD2 3.21Å; F160-L203 HydrophobicContact CZ-CD2 4.16Å; V163-L203 HydrophobicContact CG1-CD1 3.87Å; L164-L203 HydrophobicContact CD2-CD1 4.12Å; L164-L203 HydrophobicContact CD2-CD2 3.95Å; L164-L203 HydrophobicContact CG-CD2 4.25Å
204K94.5Very high96.9Very high8 Ų824.3 Ų24.34%0.03514%0.137CC..PPolyproline II helixtrans-61.5155.1170.468-174-172.4-176.90111.1N73 L74 E79 G199 L201 L202 R208N73-K204 CarbonylContact C-O 3.59Å; N73-K204 VanDerWaalsContact CA-O 3.25Å; N73-K204 WeakPolarHBondContact CA-O 3.26Å; N73-K204 HydrophobicContact CB-CG 3.71Å; N73-K204 WeakPolarHBondContact CB-O 3.21Å; L74-K204 PolarHBondContact N-O 3.14Å; E79-K204 PolarHBondContact O-NZ 3.44Å; G199-K204 PolarHBondContact O-NZ 3.07Å; L201-K204 HydrophobicContact CB-CB 4.18Å; L201-K204 WeakPolarHBondContact O-CB 3.5Å; L201-K204 WeakPolarHBondContact O-CG 3.48Å; L201-K204 PolarHBondContact O-N 3.35Å; L202-K204 PolarHBondContact O-N 3.03Å; K204-R208 HydrophobicContact CB-CB 4.18Å; K204-R208 HydrophobicContact CB-CG 4.4Å; K204-R208 HydrophobicContact CD-CB 4.18Å; K204-R208 HydrophobicContact CG-CB 4.41Å
205E97.5Very high96.8Very high127 Ų12728.5 Ų28.559%0.59316%0.156SC*.PPolyproline II helixtrans-62.1140.1163.7-71.4-64.1165.400110.5L74 R208L74-E205 VanDerWaalsContact CD1-CD 3.49Å; L74-E205 HydrophobicContact CD1-CG 4.4Å; L74-E205 VanDerWaalsContact CD1-OE1 3.27Å; L74-E205 WeakPolarHBondContact CD1-OE1 3.49Å; E205-R208 VanDerWaalsContact O-CB 3.26Å; E205-R208 WeakPolarHBondContact O-CB 3.43Å; E205-R208 PolarHBondContact O-N 2.86Å; E205-R208 VanDerWaalsContact O-N 3.16Å
206P97.9Very high96.8Very high44 Ų4428.5 Ų28.529%0.28616%0.156SC..THydrogen-bonded Turntrans-53.4140.1168.4-23.233.1000111.8E75 E79 R208E75-P206 HydrophobicContact CB-CG 4.43Å; E75-P206 HydrophobicContact CG-CG 3.68Å; E79-P206 WeakPolarHBondContact OE2-CA 3.45Å; P206-R208 VanDerWaalsContact C-N 3.27Å; P206-R208 PolarHBondContact O-N 3.22Å
207G97.6Very high96.8Very high43 Ų4328.6 Ų28.644%0.44316%0.156SC..THydrogen-bonded Turntrans80.3-0.5-176.200000114.7E79 V209E79-G207 VanDerWaalsContact CD-N 3.3Å; E79-G207 PolarHBondContact OE1-N 2.95Å; E79-G207 PolarHBondContact OE2-N 3.43Å; G207-V209 PolarHBondContact O-N 3.18Å
208R97.6Very high96.7Very high33 Ų3328.6 Ų28.613%0.12516%0.156CC..  trans-62.4127.3171.7178.3-79.2-173178.55109.9D81 K204 E205 P206 G210 E238D81-R208 IonicContact OD2-NH1 3.25Å; D81-R208 PolarHBondContact OD2-NH1 3.12Å; K204-R208 HydrophobicContact CB-CB 4.18Å; K204-R208 HydrophobicContact CB-CG 4.4Å; K204-R208 HydrophobicContact CD-CB 4.18Å; K204-R208 HydrophobicContact CG-CB 4.41Å; E205-R208 VanDerWaalsContact O-CB 3.26Å; E205-R208 WeakPolarHBondContact O-CB 3.43Å; E205-R208 PolarHBondContact O-N 2.86Å; E205-R208 VanDerWaalsContact O-N 3.16Å; P206-R208 VanDerWaalsContact C-N 3.27Å; P206-R208 PolarHBondContact O-N 3.22Å; R208-G210 VanDerWaalsContact CZ-CA 3.43Å; R208-E238 IonicContact CZ-OE1 2.97Å; R208-E238 IonicContact NE-OE1 3.38Å; R208-E238 PolarHBondContact NE-OE1 3.44Å; R208-E238 VanDerWaalsContact NH2-CD 3.28Å; R208-E238 IonicContact NH2-OE1 3.65Å; R208-E238 PolarHBondContact NH2-OE1 3.38Å; R208-E238 IonicContact NH2-OE2 3.98Å; R208-E238 PolarHBondContact NH2-OE2 3.07Å; R208-E238 VanDerWaalsContact NH2-OE2 3.1Å
209V98.1Very high96.8Very high37 Ų3728.4 Ų28.422%0.22416%0.155CC..  trans-111.4134174.7177.20000110.4A97 V130 G207 T213 M214A97-V209 HydrophobicContact CB-CG2 4.22Å; V130-V209 HydrophobicContact CG1-CG2 4.07Å; G207-V209 PolarHBondContact O-N 3.18Å; V209-T213 HydrophobicContact CG1-CG2 4.07Å; V209-T213 WeakPolarHBondContact CG1-OG1 3.12Å; V209-M214 HydrophobicContact CG1-CE 3.59Å
210G96.9Very high96.9Very high1 Ų129 Ų291%0.0116%0.157CC..  trans-107.7-175.6-177.800000116.3D81 R208 A212 T213D81-G210 PolarHBondContact OD2-N 3.45Å; R208-G210 VanDerWaalsContact CZ-CA 3.43Å; G210-A212 PolarHBondContact O-N 3.08Å; G210-T213 PolarHBondContact O-N 3.38Å; G210-T213 PolarHBondContact O-OG1 3.35Å
211H97.7Very high97.1Very high2 Ų228.6 Ų28.61%0.00915%0.153CC..G310 helixtrans-50-30.3178.262.3-70.8000115.5T180 T213 M214 A217 G218 G237 L240 I241T180-H211 PolarHBondContact OG1-CE1 3.1Å; T180-H211 PolarHBondContact OG1-NE2 3.41Å; H211-T213 PolarHBondContact O-N 3.29Å; H211-M214 PolarHBondContact O-N 3.18Å; H211-A217 HydrophobicContact CB-CB 3.97Å; H211-G218 WeakPolarHBondContact O-CA 3.25Å; H211-G218 PolarHBondContact O-N 2.97Å; H211-G237 WeakPolarHBondContact ND1-CA 3.33Å; H211-L240 HydrophobicContact CB-CB 3.76Å; H211-L240 HydrophobicContact CB-CD1 4.22Å; H211-L240 WeakPolarHBondContact CD2-CD1 3.4Å; H211-I241 HydrophobicContact CB-CG1 4.02Å
212A98.2Very high97.4Very high1 Ų126.4 Ų26.41%0.00814%0.141CC..G310 helixtrans-60.5-28.9-177.700000113D81 A82 G83 C196 G210D81-A212 HydrophobicContact CB-CB 4.07Å; A82-A212 CarbonylContact C-O 3.56Å; G83-A212 WeakPolarHBondContact CA-O 3.47Å; G83-A212 PolarHBondContact N-O 3.06Å; C196-A212 HydrophobicContact CB-CB 4.23Å; G210-A212 PolarHBondContact O-N 3.08Å
213T97.9Very high97.7Very high0 Ų027.5 Ų27.50%015%0.149CC..G310 helixtrans-97.6-1177.160.90000113.8D81 F92 V95 V128 V209 G210 H211D81-T213 HydrophobicContact CB-CG2 3.86Å; F92-T213 WeakPolarHBondContact CE1-O 3.39Å; F92-T213 WeakPolarHBondContact CZ-O 3.38Å; V95-T213 VanDerWaalsContact C-CG2 3.42Å; V95-T213 WeakPolarHBondContact O-CG2 3.46Å; V128-T213 WeakPolarHBondContact CG2-O 3.42Å; V209-T213 HydrophobicContact CG1-CG2 4.07Å; V209-T213 WeakPolarHBondContact CG1-OG1 3.12Å; G210-T213 PolarHBondContact O-N 3.38Å; G210-T213 PolarHBondContact O-OG1 3.35Å; H211-T213 PolarHBondContact O-N 3.29Å
214M97.9Very high97.9Very high67 Ų6728.5 Ų28.533%0.3315%0.15SC..SBendtrans-100.8121.9-171.7-65.6-66.8141.300109.3V209 H211 G216 A217 I241V209-M214 HydrophobicContact CG1-CE 3.59Å; H211-M214 PolarHBondContact O-N 3.18Å; M214-G216 PolarHBondContact O-N 2.81Å; M214-A217 HydrophobicContact CB-CB 3.82Å; M214-A217 PolarHBondContact O-N 3.24Å; M214-A217 VanDerWaalsContact O-N 3.12Å; M214-I241 HydrophobicContact CB-CG1 4.14Å; M214-I241 HydrophobicContact CG-CD1 3.89Å; M214-I241 HydrophobicContact CG-CG1 3.9Å
215F98.1Very high97.9Very high89 Ų8935.3 Ų35.339%0.3919%0.186SC..THydrogen-bonded Turntrans-50.8129.9175.6-175-102.2000110M85 F92 A217 W220 H244M85-F215 HydrophobicContact CE-CE2 4.01Å; M85-F215 HydrophobicContact CE-CZ 4.25Å; M85-F215 HydrophobicContact SD-CE2 4.31Å; F92-F215 HydrophobicContact CB-CD2 3.47Å; F92-F215 VanDerWaalsContact CB-CD2 3.47Å; F92-F215 HydrophobicContact CB-CE2 3.79Å; F92-F215 HydrophobicContact CD1-CB 4.24Å; F92-F215 HydrophobicContact CD1-CD2 4.02Å; F92-F215 HydrophobicContact CD2-CD2 4.33Å; F92-F215 HydrophobicContact CE1-CB 4.46Å; F92-F215 AromaticContact CG-CD2 3.68Å; F92-F215 HydrophobicContact CG-CD2 3.68Å; F92-F215 HydrophobicContact CG-CE2 4.46Å; F215-A217 PolarHBondContact O-N 3.06Å; F215-A217 VanDerWaalsContact O-N 3.11Å; F215-W220 HydrophobicContact CD1-CZ3 4.21Å; F215-W220 AromaticContact CE1-CH2 3.83Å; F215-W220 HydrophobicContact CE1-CH2 3.83Å; F215-W220 AromaticContact CE1-CZ3 3.54Å; F215-W220 HydrophobicContact CE1-CZ3 3.54Å; F215-W220 HydrophobicContact CE2-CZ3 4.11Å; F215-W220 AromaticContact CZ-CH2 3.68Å; F215-W220 HydrophobicContact CZ-CH2 3.68Å; F215-W220 AromaticContact CZ-CZ3 3.49Å; F215-W220 HydrophobicContact CZ-CZ3 3.49Å; F215-W220 VanDerWaalsContact CZ-CZ3 3.49Å; F215-H244 PolarHBondContact O-CE1 2.54Å; F215-H244 PolarHBondContact O-NE2 3.43Å; F215-H244 VanDerWaalsContact O-NE2 3.09Å
216G98.1Very high97.8Very high0 Ų030.9 Ų30.90%018%0.175CC..THydrogen-bonded Turntrans68.6-2.2179.300000117.4M214 H244 A246 Q247M214-G216 PolarHBondContact O-N 2.81Å; G216-H244 WeakPolarHBondContact CA-NE2 3.17Å; G216-H244 CarbonylContact O-C 3.57Å; G216-H244 VanDerWaalsContact O-O 3.09Å; G216-A246 WeakPolarHBondContact O-CB 3.09Å; G216-A246 PolarHBondContact O-N 2.78Å; G216-Q247 PolarHBondContact O-N 3.12Å
217A98.2Very high97.7Very high1 Ų130 Ų301%0.00817%0.168CC..THydrogen-bonded Turntrans-91.5-56.2177.100000112.7H211 M214 F215 I241 A246H211-A217 HydrophobicContact CB-CB 3.97Å; M214-A217 HydrophobicContact CB-CB 3.82Å; M214-A217 PolarHBondContact O-N 3.24Å; M214-A217 VanDerWaalsContact O-N 3.12Å; F215-A217 PolarHBondContact O-N 3.06Å; F215-A217 VanDerWaalsContact O-N 3.11Å; A217-I241 HydrophobicContact CB-CG1 4.14Å; A217-A246 PolarHBondContact O-N 2.98Å
218G98.3Very high97.7Very high0 Ų027.9 Ų27.90%015%0.147CC..SBendtrans-91.2-33.9-172.200000115.1H211 C233H211-G218 WeakPolarHBondContact O-CA 3.25Å; H211-G218 PolarHBondContact O-N 2.97Å; G218-C233 WeakPolarHBondContact O-CB 3.41Å; G218-C233 PolarHBondContact O-N 2.7Å
219C98.8Very high97.7Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-150.3156.3178.161.40000112A194 C196 V231 A246A194-C219 HydrophobicContact CB-CB 3.77Å; C196-C219 HydrophobicContact CB-CB 4.11Å; C219-V231 CarbonylContact C-O 3.55Å; C219-V231 WeakPolarHBondContact CA-O 3.47Å; C219-V231 WeakPolarHBondContact CB-O 3.32Å; C219-A246 VanDerWaalsContact C-CB 3.49Å
220W98.9Very high97.8Very high12 Ų1224.6 Ų24.65%0.04513%0.13CC..EExtended strand (participates in β ladder)trans-145.4144.3175.7-166.5-98.7000110.3M85 A194 F215 E222 A230 V231 A246 Q247 A250M85-W220 HydrophobicContact CE-CD2 4.05Å; M85-W220 HydrophobicContact CE-CE3 4.05Å; M85-W220 HydrophobicContact CE-CH2 4.2Å; M85-W220 HydrophobicContact CE-CZ2 4.16Å; M85-W220 HydrophobicContact CE-CZ3 4.15Å; M85-W220 HydrophobicContact SD-CB 4.45Å; M85-W220 HydrophobicContact SD-CD2 3.78Å; M85-W220 HydrophobicContact SD-CE3 3.67Å; M85-W220 HydrophobicContact SD-CG 4.13Å; M85-W220 HydrophobicContact SD-CZ3 4.25Å; A194-W220 WeakPolarHBondContact CB-O 3.48Å; F215-W220 HydrophobicContact CD1-CZ3 4.21Å; F215-W220 AromaticContact CE1-CH2 3.83Å; F215-W220 HydrophobicContact CE1-CH2 3.83Å; F215-W220 AromaticContact CE1-CZ3 3.54Å; F215-W220 HydrophobicContact CE1-CZ3 3.54Å; F215-W220 HydrophobicContact CE2-CZ3 4.11Å; F215-W220 AromaticContact CZ-CH2 3.68Å; F215-W220 HydrophobicContact CZ-CH2 3.68Å; F215-W220 AromaticContact CZ-CZ3 3.49Å; F215-W220 HydrophobicContact CZ-CZ3 3.49Å; F215-W220 VanDerWaalsContact CZ-CZ3 3.49Å; W220-E222 PolarHBondContact NE1-OE2 3.19Å; W220-A230 CarbonylContact O-C 3.51Å; W220-A230 VanDerWaalsContact O-CA 3.27Å; W220-A230 WeakPolarHBondContact O-CA 3.47Å; W220-V231 HydrophobicContact CB-CB 4.26Å; W220-V231 PolarHBondContact N-O 2.63Å; W220-V231 PolarHBondContact O-N 2.67Å; W220-A246 HydrophobicContact CB-CB 4.01Å; W220-Q247 HydrophobicContact CD2-CB 4.14Å; W220-Q247 HydrophobicContact CD2-CG 4.2Å; W220-Q247 HydrophobicContact CE3-CB 3.8Å; W220-Q247 HydrophobicContact CE3-CG 4.04Å; W220-Q247 HydrophobicContact CH2-CB 4.26Å; W220-Q247 HydrophobicContact CH2-CG 3.61Å; W220-Q247 HydrophobicContact CZ2-CG 3.81Å; W220-Q247 HydrophobicContact CZ3-CB 3.84Å; W220-Q247 HydrophobicContact CZ3-CG 3.72Å; W220-A250 HydrophobicContact CB-CB 4.39Å; W220-A250 HydrophobicContact CG-CB 3.92Å
221A98.8Very high97.9Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-148.3126.9171.400000110M85 S87 A194 C229 A230M85-A221 HydrophobicContact CB-CB 4.15Å; M85-A221 WeakPolarHBondContact CE-O 3.11Å; M85-A221 HydrophobicContact CG-CB 4.2Å; M85-A221 PolarHBondContact SD-N 3.33Å; S87-A221 WeakPolarHBondContact CA-O 3.45Å; A194-A221 HydrophobicContact CB-CB 4.29Å; A221-C229 CarbonylContact C-O 3.46Å; A221-C229 WeakPolarHBondContact CA-O 3.42Å; A221-A230 HydrophobicContact CB-CB 4.23Å
222E98.5Very high97.9Very high15 Ų1524.4 Ų24.47%0.0713%0.129CC..EExtended strand (participates in β ladder)trans-150.9148-171.4-179.2-178.1171.800111.3M90 W220 R224 C229 F254M90-E222 HydrophobicContact SD-CG 4.37Å; W220-E222 PolarHBondContact NE1-OE2 3.19Å; E222-R224 VanDerWaalsContact CD-NH2 3.34Å; E222-R224 HydrophobicContact CG-CB 4.47Å; E222-R224 IonicContact OE1-CZ 2.67Å; E222-R224 VanDerWaalsContact OE1-CZ 3.25Å; E222-R224 IonicContact OE1-NE 3.76Å; E222-R224 PolarHBondContact OE1-NE 3.04Å; E222-R224 IonicContact OE1-NH2 3.03Å; E222-R224 PolarHBondContact OE1-NH2 3.44Å; E222-R224 IonicContact OE2-CZ 3.27Å; E222-R224 IonicContact OE2-NH2 3.31Å; E222-R224 PolarHBondContact OE2-NH2 2.98Å; E222-C229 PolarHBondContact N-O 2.94Å; E222-C229 PolarHBondContact O-N 3.32Å; E222-F254 HydrophobicContact CB-CE2 3.94Å; E222-F254 HydrophobicContact CB-CZ 4.15Å; E222-F254 HydrophobicContact CG-CE2 3.95Å; E222-F254 HydrophobicContact CG-CZ 4.11Å; E222-F254 WeakPolarHBondContact OE2-CE2 3.45Å
223V98.2Very high97.9Very high53 Ų5324.4 Ų24.432%0.32113%0.129SC..EExtended strand (participates in β ladder)trans-116.5121.6164.8-179.70000108Q190 L191 N227 I228Q190-V223 WeakPolarHBondContact O-CG2 3.14Å; L191-V223 HydrophobicContact CD2-CG2 4.45Å; V223-N227 CarbonylContact C-O 3.59Å; V223-N227 VanDerWaalsContact CA-O 3.26Å; V223-N227 WeakPolarHBondContact CA-O 3.48Å; V223-N227 WeakPolarHBondContact CG1-O 3.46Å; V223-I228 HydrophobicContact CG2-CG1 4.19Å; V223-I228 HydrophobicContact CG2-CG2 4.17Å
224R97.3Very high97.9Very high66 Ų6624.4 Ų24.425%0.24913%0.129CC..EExtended strand (participates in β ladder)trans-132.2121.3-178-170.7-171.8-62.4179.73.7109.4E222 G226 N227 D251 F254E222-R224 VanDerWaalsContact CD-NH2 3.34Å; E222-R224 HydrophobicContact CG-CB 4.47Å; E222-R224 IonicContact OE1-CZ 2.67Å; E222-R224 VanDerWaalsContact OE1-CZ 3.25Å; E222-R224 IonicContact OE1-NE 3.76Å; E222-R224 PolarHBondContact OE1-NE 3.04Å; E222-R224 IonicContact OE1-NH2 3.03Å; E222-R224 PolarHBondContact OE1-NH2 3.44Å; E222-R224 IonicContact OE2-CZ 3.27Å; E222-R224 IonicContact OE2-NH2 3.31Å; E222-R224 PolarHBondContact OE2-NH2 2.98Å; R224-G226 PolarHBondContact O-N 2.85Å; R224-G226 VanDerWaalsContact O-N 3.15Å; R224-N227 PolarHBondContact N-O 3.32Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.29Å; R224-D251 IonicContact CZ-OD1 3.78Å; R224-D251 IonicContact NH1-OD1 2.67Å; R224-D251 IonicContact NH2-OD1 2.81Å; R224-D251 PolarHBondContact NH2-OD1 3.27Å; R224-F254 HydrophobicContact CB-CD1 3.88Å; R224-F254 HydrophobicContact CB-CE1 3.61Å; R224-F254 HydrophobicContact CB-CE2 4.34Å; R224-F254 HydrophobicContact CB-CG 4.37Å; R224-F254 HydrophobicContact CB-CZ 3.86Å
225N95.4Very high97.8Very high150 Ų15021.9 Ų21.980%0.80212%0.12SC*.THydrogen-bonded Turntrans51.337.8179.3-56.9-30.3000113.7N227N225-N227 PolarHBondContact O-N 2.84Å
226G94.5Very high97.5Very high34 Ų3418.4 Ų18.435%0.35111%0.106SC..THydrogen-bonded Turntrans80.8-13.5-177.300000115.3R224 C299R224-G226 PolarHBondContact O-N 2.85Å; R224-G226 VanDerWaalsContact O-N 3.15Å; G226-C299 WeakPolarHBondContact O-CB 3.42Å
227N96.9Very high97.4Very high25 Ų2518.4 Ų18.413%0.13411%0.107CC..EExtended strand (participates in β ladder)trans-79149.4171.7-62.9-27.1000110.2V223 R224 N225 F254 F296 Y297 S298 C299V223-N227 CarbonylContact C-O 3.59Å; V223-N227 VanDerWaalsContact CA-O 3.26Å; V223-N227 WeakPolarHBondContact CA-O 3.48Å; V223-N227 WeakPolarHBondContact CG1-O 3.46Å; R224-N227 PolarHBondContact N-O 3.32Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.29Å; N225-N227 PolarHBondContact O-N 2.84Å; N227-F254 HydrophobicContact CB-CD1 4.12Å; N227-F254 HydrophobicContact CB-CE1 3.78Å; N227-F296 HydrophobicContact CB-CZ 4.02Å; N227-Y297 CarbonylContact C-O 3.51Å; N227-Y297 VanDerWaalsContact CA-O 3.24Å; N227-Y297 WeakPolarHBondContact CA-O 3.2Å; N227-Y297 WeakPolarHBondContact CB-O 3.48Å; N227-S298 WeakPolarHBondContact OD1-CA 3.46Å; N227-C299 PolarHBondContact OD1-N 3.01Å; N227-C299 PolarHBondContact OD1-SG 3.02Å; N227-C299 VanDerWaalsContact OD1-SG 3.37Å
228I97.8Very high97.3Very high0 Ų021.3 Ų21.30%012%0.12CC..EExtended strand (participates in β ladder)trans-123.9133.6-175.9-47.7165.3000108.6I6 V186 Q190 A192 V223 F296 Y297I6-I228 HydrophobicContact CD1-CD1 3.84Å; V186-I228 HydrophobicContact CG1-CD1 3.99Å; V186-I228 HydrophobicContact CG1-CG2 4.43Å; V186-I228 HydrophobicContact CG2-CG2 4.32Å; Q190-I228 HydrophobicContact CB-CD1 3.73Å; Q190-I228 HydrophobicContact CG-CD1 4.19Å; Q190-I228 WeakPolarHBondContact O-CD1 3.08Å; A192-I228 HydrophobicContact CB-CG2 3.37Å; V223-I228 HydrophobicContact CG2-CG1 4.19Å; V223-I228 HydrophobicContact CG2-CG2 4.17Å; I228-F296 CarbonylContact O-C 3.48Å; I228-F296 VanDerWaalsContact O-CA 3.31Å; I228-F296 WeakPolarHBondContact O-CA 3.18Å; I228-Y297 HydrophobicContact CD1-CD1 3.62Å; I228-Y297 HydrophobicContact CD1-CE1 4.39Å; I228-Y297 HydrophobicContact CD1-CG 4.11Å; I228-Y297 HydrophobicContact CG1-CD1 3.92Å; I228-Y297 PolarHBondContact N-O 2.87Å; I228-Y297 PolarHBondContact O-N 3.24Å
229C98.4Very high97.2Very high0 Ų022.4 Ų22.40%013%0.125CC..EExtended strand (participates in β ladder)trans-134.9137.7175.2-173.10000111A221 E222 F254 V295 F296A221-C229 CarbonylContact C-O 3.46Å; A221-C229 WeakPolarHBondContact CA-O 3.42Å; E222-C229 PolarHBondContact N-O 2.94Å; E222-C229 PolarHBondContact O-N 3.32Å; C229-F254 HydrophobicContact CB-CD2 4.34Å; C229-F254 HydrophobicContact CB-CE1 4.14Å; C229-F254 HydrophobicContact CB-CE2 3.51Å; C229-F254 HydrophobicContact CB-CZ 3.39Å; C229-V295 VanDerWaalsContact CA-O 3.3Å; C229-V295 WeakPolarHBondContact CA-O 3.37Å; C229-F296 HydrophobicContact CB-CD2 3.95Å; C229-F296 HydrophobicContact CB-CE2 4.35Å
230A98.8Very high97.1Very high0 Ų022.4 Ų22.40%013%0.125CC..EExtended strand (participates in β ladder)trans-137.3138.9164.500000111.3I184 A192 A194 W220 A221 C294 V295I184-A230 HydrophobicContact CB-CB 3.99Å; I184-A230 HydrophobicContact CG2-CB 4.01Å; A192-A230 HydrophobicContact CB-CB 3.96Å; A194-A230 HydrophobicContact CB-CB 4.24Å; W220-A230 CarbonylContact O-C 3.51Å; W220-A230 VanDerWaalsContact O-CA 3.27Å; W220-A230 WeakPolarHBondContact O-CA 3.47Å; A221-A230 HydrophobicContact CB-CB 4.23Å; A230-C294 CarbonylContact O-C 3.59Å; A230-C294 VanDerWaalsContact O-CA 3.24Å; A230-C294 WeakPolarHBondContact O-CA 3.46Å; A230-V295 HydrophobicContact CB-CG1 3.85Å; A230-V295 PolarHBondContact N-O 3.11Å; A230-V295 PolarHBondContact O-N 3.43Å
231V98.9Very high97.1Very high0 Ų024.6 Ų24.60%014%0.137CC..EExtended strand (participates in β ladder)trans-131.9136.2-173.1-176.20000109.5A194 C219 W220 A246 V249 A250 I293 C294A194-V231 VanDerWaalsContact CB-O 3.24Å; A194-V231 WeakPolarHBondContact CB-O 3.45Å; C219-V231 CarbonylContact C-O 3.55Å; C219-V231 WeakPolarHBondContact CA-O 3.47Å; C219-V231 WeakPolarHBondContact CB-O 3.32Å; W220-V231 HydrophobicContact CB-CB 4.26Å; W220-V231 PolarHBondContact N-O 2.63Å; W220-V231 PolarHBondContact O-N 2.67Å; V231-A246 HydrophobicContact CB-CB 4.5Å; V231-A246 HydrophobicContact CG1-CB 4.21Å; V231-V249 HydrophobicContact CG1-CB 4.28Å; V231-V249 HydrophobicContact CG1-CG1 3.98Å; V231-V249 HydrophobicContact CG2-CG1 3.95Å; V231-A250 HydrophobicContact CG2-CB 4.09Å; V231-I293 WeakPolarHBondContact CA-O 3.32Å; V231-C294 HydrophobicContact CG2-CB 4.44Å
232S98.8Very high97.1Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-135.7132.9168.6-170.30000111H12 G182 S195 C292 I293H12-S232 PolarHBondContact NE2-OG 3.13Å; G182-S232 WeakPolarHBondContact CA-OG 3.42Å; S195-S232 PolarHBondContact O-OG 3.3Å; S232-C292 WeakPolarHBondContact O-CA 3.2Å; S232-I293 PolarHBondContact N-O 3.17Å; S232-I293 PolarHBondContact O-N 3.33Å
233C98.3Very high97.1Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-112.3151.7-168.8-60.50000112.4G218 L240 G291G218-C233 WeakPolarHBondContact O-CB 3.41Å; G218-C233 PolarHBondContact O-N 2.7Å; C233-L240 HydrophobicContact CB-CD1 4.41Å; C233-L240 HydrophobicContact CB-CD2 4.17Å; C233-G291 CarbonylContact C-O 3.54Å; C233-G291 WeakPolarHBondContact CA-O 3.23Å
234S97.4Very high97Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-136.8152.7170-1650000109.4G14 A15 D179 T180 I290 G291G14-S234 WeakPolarHBondContact CA-OG 3.36Å; A15-S234 PolarHBondContact N-OG 3.2Å; D179-S234 PolarHBondContact OD1-OG 2.88Å; T180-S234 PolarHBondContact N-OG 3.11Å; T180-S234 PolarHBondContact O-OG 2.97Å; S234-I290 CarbonylContact O-C 3.56Å; S234-I290 WeakPolarHBondContact O-CA 3.46Å; S234-G291 PolarHBondContact N-O 3.09Å; S234-G291 PolarHBondContact O-N 3.07Å
235G94.6Very high97.1Very high15 Ų1527.4 Ų27.416%0.15515%0.147CC..EExtended strand (participates in β ladder)trans141.4-158.7-177.500000113.8G237 L289G235-G237 PolarHBondContact O-N 3.42Å; G235-L289 WeakPolarHBondContact CA-O 3.37Å
236C93.1Very high97.3Very high15 Ų1520.2 Ų20.210%0.10111%0.109CC..  trans-72112.4176.5-178.40000110.5E238 Y239 L240 H287 L289C236-E238 VanDerWaalsContact C-N 3.31Å; C236-E238 PolarHBondContact O-N 3.46Å; C236-Y239 HydrophobicContact CB-CD2 3.84Å; C236-Y239 HydrophobicContact CB-CE2 4.43Å; C236-Y239 HydrophobicContact CB-CG 4.06Å; C236-Y239 PolarHBondContact O-N 2.98Å; C236-Y239 VanDerWaalsContact O-N 3.08Å; C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.24Å; C236-H287 WeakPolarHBondContact CB-O 3.22Å; C236-L289 PolarHBondContact N-O 3.44Å; C236-L289 VanDerWaalsContact N-O 3.14Å
237G95Very high97.5Very high1 Ų121.3 Ų21.31%0.0111%0.105CC..Hα-helixtrans-62.8-36.4-171.600000114.4H211 G235 Y239 L240 I241H211-G237 WeakPolarHBondContact ND1-CA 3.33Å; G235-G237 PolarHBondContact O-N 3.42Å; G237-Y239 PolarHBondContact O-N 3.16Å; G237-L240 PolarHBondContact O-N 3.11Å; G237-I241 WeakPolarHBondContact O-CD1 3.43Å; G237-I241 VanDerWaalsContact O-CG1 3.22Å; G237-I241 WeakPolarHBondContact O-CG1 3.32Å; G237-I241 PolarHBondContact O-N 3.15Å
238E95.8Very high97.6Very high61 Ų6123 Ų2329%0.28511%0.113SC..Hα-helixtrans-62.5-37177.6-70.761.3-146.300110.4L201 R208 C236 K242L201-E238 WeakPolarHBondContact CD1-OE2 3.45Å; R208-E238 IonicContact CZ-OE1 2.97Å; R208-E238 IonicContact NE-OE1 3.38Å; R208-E238 PolarHBondContact NE-OE1 3.44Å; R208-E238 VanDerWaalsContact NH2-CD 3.28Å; R208-E238 IonicContact NH2-OE1 3.65Å; R208-E238 PolarHBondContact NH2-OE1 3.38Å; R208-E238 IonicContact NH2-OE2 3.98Å; R208-E238 PolarHBondContact NH2-OE2 3.07Å; R208-E238 VanDerWaalsContact NH2-OE2 3.1Å; C236-E238 VanDerWaalsContact C-N 3.31Å; C236-E238 PolarHBondContact O-N 3.46Å; E238-K242 WeakPolarHBondContact O-CG 3.3Å; E238-K242 PolarHBondContact O-N 2.8Å
239Y96.7Very high97.6Very high24 Ų2423 Ų239%0.09411%0.114CC..Hα-helixtrans-82.1-41-178.3-62.7-4.1000111.2C236 G237 I241 K242 T243 Y274 L280 H287 K288C236-Y239 HydrophobicContact CB-CD2 3.84Å; C236-Y239 HydrophobicContact CB-CE2 4.43Å; C236-Y239 HydrophobicContact CB-CG 4.06Å; C236-Y239 PolarHBondContact O-N 2.98Å; C236-Y239 VanDerWaalsContact O-N 3.08Å; G237-Y239 PolarHBondContact O-N 3.16Å; Y239-I241 PolarHBondContact O-N 2.76Å; Y239-K242 PolarHBondContact O-N 3.22Å; Y239-K242 VanDerWaalsContact O-N 3.12Å; Y239-T243 PolarHBondContact O-N 2.87Å; Y239-T243 PolarHBondContact O-OG1 2.97Å; Y239-Y274 WeakPolarHBondContact CB-OH 3.35Å; Y239-L280 HydrophobicContact CD1-CD2 3.78Å; Y239-L280 HydrophobicContact CD2-CD1 4.15Å; Y239-L280 HydrophobicContact CD2-CD2 4.41Å; Y239-L280 HydrophobicContact CG-CD1 4.04Å; Y239-L280 HydrophobicContact CG-CD2 3.74Å; Y239-H287 WeakPolarHBondContact CD2-O 3.17Å; Y239-H287 HydrophobicContact CE2-CB 3.48Å; Y239-H287 VanDerWaalsContact CE2-CB 3.48Å; Y239-H287 WeakPolarHBondContact CE2-O 3.32Å; Y239-H287 WeakPolarHBondContact OH-CB 3.02Å; Y239-K288 HydrophobicContact CD2-CG 4.12Å; Y239-K288 HydrophobicContact CE2-CG 4.04Å
240L98Very high97.6Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-57-38.1172.9-70.3171.9000112.3H211 C233 C236 G237 H244 T245 Y274 I290H211-L240 HydrophobicContact CB-CB 3.76Å; H211-L240 HydrophobicContact CB-CD1 4.22Å; H211-L240 WeakPolarHBondContact CD2-CD1 3.4Å; C233-L240 HydrophobicContact CB-CD1 4.41Å; C233-L240 HydrophobicContact CB-CD2 4.17Å; C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.24Å; G237-L240 PolarHBondContact O-N 3.11Å; L240-H244 PolarHBondContact O-N 2.97Å; L240-H244 VanDerWaalsContact O-N 3.09Å; L240-T245 HydrophobicContact CD2-CG2 3.96Å; L240-T245 WeakPolarHBondContact CD2-OG1 3.15Å; L240-T245 PolarHBondContact O-N 2.93Å; L240-Y274 HydrophobicContact CD2-CE2 3.89Å; L240-Y274 HydrophobicContact CG-CE2 4.31Å; L240-I290 HydrophobicContact CD2-CD1 3.35Å
241I98.1Very high97.6Very high58 Ų5824.9 Ų24.930%0.29712%0.124SC..Hα-helixtrans-64.7-52.9172.8-70165.5000110.4H211 M214 A217 G237 Y239 T243 H244H211-I241 HydrophobicContact CB-CG1 4.02Å; M214-I241 HydrophobicContact CB-CG1 4.14Å; M214-I241 HydrophobicContact CG-CD1 3.89Å; M214-I241 HydrophobicContact CG-CG1 3.9Å; A217-I241 HydrophobicContact CB-CG1 4.14Å; G237-I241 WeakPolarHBondContact O-CD1 3.43Å; G237-I241 VanDerWaalsContact O-CG1 3.22Å; G237-I241 WeakPolarHBondContact O-CG1 3.32Å; G237-I241 PolarHBondContact O-N 3.15Å; Y239-I241 PolarHBondContact O-N 2.76Å; I241-T243 PolarHBondContact O-N 3.06Å; I241-H244 PolarHBondContact O-N 2.96Å
242K97.9Very high97.6Very high120 Ų12025.8 Ų25.852%0.52213%0.131SC..Hα-helixtrans-55.1-40-178.3-82.3-175.7168.2-166.90112.2E238 Y239 L279 L280E238-K242 WeakPolarHBondContact O-CG 3.3Å; E238-K242 PolarHBondContact O-N 2.8Å; Y239-K242 PolarHBondContact O-N 3.22Å; Y239-K242 VanDerWaalsContact O-N 3.12Å; K242-L279 WeakPolarHBondContact O-CD1 3.38Å; K242-L280 HydrophobicContact CB-CD2 4.14Å; K242-L280 HydrophobicContact CD-CD2 3.85Å
243T98.3Very high97.6Very high3 Ų325.8 Ų25.82%0.01813%0.131CC..THydrogen-bonded Turntrans-95.31.2-175.554.50000114Y239 I241 T245 I248 Y274 L280Y239-T243 PolarHBondContact O-N 2.87Å; Y239-T243 PolarHBondContact O-OG1 2.97Å; I241-T243 PolarHBondContact O-N 3.06Å; T243-T245 PolarHBondContact O-N 2.66Å; T243-T245 VanDerWaalsContact O-N 3.13Å; T243-T245 PolarHBondContact OG1-OG1 3.41Å; T243-I248 WeakPolarHBondContact O-CD1 3.28Å; T243-Y274 HydrophobicContact CG2-CD2 4.16Å; T243-Y274 VanDerWaalsContact OG1-CD2 3.3Å; T243-Y274 WeakPolarHBondContact OG1-CD2 3.47Å; T243-L280 HydrophobicContact CG2-CD1 3.91Å; T243-L280 HydrophobicContact CG2-CD2 4.4Å; T243-L280 HydrophobicContact CG2-CG 3.94Å
244H98Very high97.5Very high64 Ų6426.9 Ų26.930%0.29614%0.136SC..THydrogen-bonded Turntrans49.243.3179.6-131.987.2000112.7F215 G216 L240 I241 A246 Q247 I248F215-H244 PolarHBondContact O-CE1 2.54Å; F215-H244 PolarHBondContact O-NE2 3.43Å; F215-H244 VanDerWaalsContact O-NE2 3.09Å; G216-H244 WeakPolarHBondContact CA-NE2 3.17Å; G216-H244 CarbonylContact O-C 3.57Å; G216-H244 VanDerWaalsContact O-O 3.09Å; L240-H244 PolarHBondContact O-N 2.97Å; L240-H244 VanDerWaalsContact O-N 3.09Å; I241-H244 PolarHBondContact O-N 2.96Å; H244-A246 PolarHBondContact O-N 3.05Å; H244-Q247 PolarHBondContact CD2-OE1 3.2Å; H244-Q247 PolarHBondContact NE2-OE1 3.21Å; H244-Q247 PolarHBondContact O-N 3.33Å; H244-I248 PolarHBondContact O-N 3.08Å; H244-I248 VanDerWaalsContact O-N 3.12Å
245T98.6Very high97.5Very high5 Ų534.2 Ų34.23%0.03117%0.17CC..Hα-helixtrans-59.4-42.3-157.4-60.90000114L240 T243 Q247 I248 V249 L270 Y274 I290L240-T245 HydrophobicContact CD2-CG2 3.96Å; L240-T245 WeakPolarHBondContact CD2-OG1 3.15Å; L240-T245 PolarHBondContact O-N 2.93Å; T243-T245 PolarHBondContact O-N 2.66Å; T243-T245 VanDerWaalsContact O-N 3.13Å; T243-T245 PolarHBondContact OG1-OG1 3.41Å; T245-Q247 PolarHBondContact O-N 3.05Å; T245-I248 PolarHBondContact O-N 3.01Å; T245-V249 HydrophobicContact CG2-CG2 4.21Å; T245-V249 WeakPolarHBondContact O-CB 3.1Å; T245-V249 VanDerWaalsContact O-CG2 3.26Å; T245-V249 WeakPolarHBondContact O-CG2 3.35Å; T245-V249 PolarHBondContact O-N 3.02Å; T245-L270 HydrophobicContact CG2-CD2 4.03Å; T245-Y274 WeakPolarHBondContact OG1-CD2 3.24Å; T245-I290 HydrophobicContact CG2-CD1 3.93Å
246A98.8Very high97.6Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-64.6-41.5-175.800000112.1G216 A217 C219 W220 V231 H244 A250G216-A246 WeakPolarHBondContact O-CB 3.09Å; G216-A246 PolarHBondContact O-N 2.78Å; A217-A246 PolarHBondContact O-N 2.98Å; C219-A246 VanDerWaalsContact C-CB 3.49Å; W220-A246 HydrophobicContact CB-CB 4.01Å; V231-A246 HydrophobicContact CB-CB 4.5Å; V231-A246 HydrophobicContact CG1-CB 4.21Å; H244-A246 PolarHBondContact O-N 3.05Å; A246-A250 PolarHBondContact O-N 3.07Å
247Q98.7Very high97.7Very high56 Ų5637.4 Ų37.426%0.26219%0.189SC..Hα-helixtrans-67.9-48.7176.5-172.5-179.28.900111.5G216 W220 H244 T245 V249 A250 D251G216-Q247 PolarHBondContact O-N 3.12Å; W220-Q247 HydrophobicContact CD2-CB 4.14Å; W220-Q247 HydrophobicContact CD2-CG 4.2Å; W220-Q247 HydrophobicContact CE3-CB 3.8Å; W220-Q247 HydrophobicContact CE3-CG 4.04Å; W220-Q247 HydrophobicContact CH2-CB 4.26Å; W220-Q247 HydrophobicContact CH2-CG 3.61Å; W220-Q247 HydrophobicContact CZ2-CG 3.81Å; W220-Q247 HydrophobicContact CZ3-CB 3.84Å; W220-Q247 HydrophobicContact CZ3-CG 3.72Å; H244-Q247 PolarHBondContact CD2-OE1 3.2Å; H244-Q247 PolarHBondContact NE2-OE1 3.21Å; H244-Q247 PolarHBondContact O-N 3.33Å; T245-Q247 PolarHBondContact O-N 3.05Å; Q247-V249 PolarHBondContact O-N 3.33Å; Q247-A250 WeakPolarHBondContact O-CB 3.43Å; Q247-A250 PolarHBondContact O-N 3.22Å; Q247-D251 PolarHBondContact O-N 2.95Å
248I98.5Very high97.6Very high60 Ų6040.3 Ų40.331%0.30821%0.205SC..Hα-helixtrans-59.1-38.1-178.4-69.9-170.8000111.2T243 H244 T245 A252 T269 K273T243-I248 WeakPolarHBondContact O-CD1 3.28Å; H244-I248 PolarHBondContact O-N 3.08Å; H244-I248 VanDerWaalsContact O-N 3.12Å; T245-I248 PolarHBondContact O-N 3.01Å; I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 3.1Å; I248-T269 HydrophobicContact CG2-CG2 3.85Å; I248-K273 HydrophobicContact CG2-CB 3.87Å; I248-K273 HydrophobicContact CG2-CG 3.92Å
249V98.8Very high97.3Very high1 Ų142.9 Ų42.91%0.00623%0.229CC..Hα-helixtrans-63.7-46.3174.2166.20000111.3V231 T245 Q247 A252 L253 L266 T269 L270 C294V231-V249 HydrophobicContact CG1-CB 4.28Å; V231-V249 HydrophobicContact CG1-CG1 3.98Å; V231-V249 HydrophobicContact CG2-CG1 3.95Å; T245-V249 HydrophobicContact CG2-CG2 4.21Å; T245-V249 WeakPolarHBondContact O-CB 3.1Å; T245-V249 VanDerWaalsContact O-CG2 3.26Å; T245-V249 WeakPolarHBondContact O-CG2 3.35Å; T245-V249 PolarHBondContact O-N 3.02Å; Q247-V249 PolarHBondContact O-N 3.33Å; V249-A252 PolarHBondContact O-N 3.39Å; V249-L253 HydrophobicContact CG1-CD1 4.06Å; V249-L253 VanDerWaalsContact O-CG 3.31Å; V249-L253 WeakPolarHBondContact O-CG 3.47Å; V249-L253 PolarHBondContact O-N 2.81Å; V249-L253 VanDerWaalsContact O-N 3.08Å; V249-L266 HydrophobicContact CB-CD1 4.39Å; V249-L266 HydrophobicContact CG1-CD1 3.51Å; V249-L266 HydrophobicContact CG2-CD1 3.92Å; V249-T269 HydrophobicContact CG2-CG2 4.26Å; V249-L270 HydrophobicContact CG2-CD2 3.86Å; V249-C294 VanDerWaalsContact CG1-SG 3.6Å
250A98.7Very high96.9Very high0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-62.3-44.7178.600000111.9W220 V231 A246 Q247 A252 L253 F254W220-A250 HydrophobicContact CB-CB 4.39Å; W220-A250 HydrophobicContact CG-CB 3.92Å; V231-A250 HydrophobicContact CG2-CB 4.09Å; A246-A250 PolarHBondContact O-N 3.07Å; Q247-A250 WeakPolarHBondContact O-CB 3.43Å; Q247-A250 PolarHBondContact O-N 3.22Å; A250-A252 PolarHBondContact O-N 3.38Å; A250-L253 PolarHBondContact O-N 3.34Å; A250-F254 WeakPolarHBondContact O-CD2 3.22Å; A250-F254 PolarHBondContact O-N 3.1Å
251D98.6Very high96.6Very high40 Ų4049 Ų4921%0.21426%0.263CS..Hα-helixtrans-59-47.6177.4-75.6-29.8000111.4R224 Q247 L253 F254 E255R224-D251 IonicContact CZ-OD1 3.78Å; R224-D251 IonicContact NH1-OD1 2.67Å; R224-D251 IonicContact NH2-OD1 2.81Å; R224-D251 PolarHBondContact NH2-OD1 3.27Å; Q247-D251 PolarHBondContact O-N 2.95Å; D251-L253 VanDerWaalsContact C-N 3.3Å; D251-L253 PolarHBondContact O-N 3.42Å; D251-F254 PolarHBondContact O-N 3.21Å; D251-E255 WeakPolarHBondContact O-CB 3.45Å; D251-E255 VanDerWaalsContact O-CG 3.3Å; D251-E255 WeakPolarHBondContact O-CG 3.35Å; D251-E255 PolarHBondContact O-N 3.19Å
252A98.5Very high96.5Very high18 Ų1846.2 Ų46.215%0.14925%0.25CC..Hα-helixtrans-60.2-37.7176.800000112.8I248 V249 A250 A256 V265 T269I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 3.1Å; V249-A252 PolarHBondContact O-N 3.39Å; A250-A252 PolarHBondContact O-N 3.38Å; A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 3.39Å; A252-V265 HydrophobicContact CB-CG1 4.11Å; A252-T269 HydrophobicContact CB-CG2 4.01Å; A252-T269 VanDerWaalsContact CB-OG1 3.24Å; A252-T269 WeakPolarHBondContact CB-OG1 3.41Å
253L98.4Very high96.4Very high0 Ų042.7 Ų42.70%024%0.235CC..Hα-helixtrans-69.4-37.5177.6-70.6172.7000112.8V249 A250 D251 K262 V265 C294 F296 I307V249-L253 HydrophobicContact CG1-CD1 4.06Å; V249-L253 VanDerWaalsContact O-CG 3.31Å; V249-L253 WeakPolarHBondContact O-CG 3.47Å; V249-L253 PolarHBondContact O-N 2.81Å; V249-L253 VanDerWaalsContact O-N 3.08Å; A250-L253 PolarHBondContact O-N 3.34Å; D251-L253 VanDerWaalsContact C-N 3.3Å; D251-L253 PolarHBondContact O-N 3.42Å; L253-K262 HydrophobicContact CD2-CB 4.01Å; L253-K262 HydrophobicContact CD2-CD 4.21Å; L253-K262 PolarHBondContact O-NZ 3.28Å; L253-V265 HydrophobicContact CD2-CB 4.38Å; L253-V265 HydrophobicContact CD2-CG1 4.24Å; L253-C294 HydrophobicContact CD1-CB 3.92Å; L253-F296 HydrophobicContact CB-CD2 3.87Å; L253-F296 HydrophobicContact CB-CE2 4.1Å; L253-I307 HydrophobicContact CD2-CD1 4.24Å
254F98.1Very high96.4Very high24 Ų2446.7 Ų46.711%0.10525%0.253CS..Hα-helixtrans-70.9-34.8174.7-79.4-61.2000112.9E222 R224 N227 C229 A250 D251 F296E222-F254 HydrophobicContact CB-CE2 3.94Å; E222-F254 HydrophobicContact CB-CZ 4.15Å; E222-F254 HydrophobicContact CG-CE2 3.95Å; E222-F254 HydrophobicContact CG-CZ 4.11Å; E222-F254 WeakPolarHBondContact OE2-CE2 3.45Å; R224-F254 HydrophobicContact CB-CD1 3.88Å; R224-F254 HydrophobicContact CB-CE1 3.61Å; R224-F254 HydrophobicContact CB-CE2 4.34Å; R224-F254 HydrophobicContact CB-CG 4.37Å; R224-F254 HydrophobicContact CB-CZ 3.86Å; N227-F254 HydrophobicContact CB-CD1 4.12Å; N227-F254 HydrophobicContact CB-CE1 3.78Å; C229-F254 HydrophobicContact CB-CD2 4.34Å; C229-F254 HydrophobicContact CB-CE1 4.14Å; C229-F254 HydrophobicContact CB-CE2 3.51Å; C229-F254 HydrophobicContact CB-CZ 3.39Å; A250-F254 WeakPolarHBondContact O-CD2 3.22Å; A250-F254 PolarHBondContact O-N 3.1Å; D251-F254 PolarHBondContact O-N 3.21Å; F254-F296 AromaticContact CD1-CE2 3.65Å; F254-F296 HydrophobicContact CD1-CE2 3.65Å; F254-F296 HydrophobicContact CD1-CZ 4.05Å; F254-F296 AromaticContact CE1-CE2 3.9Å; F254-F296 HydrophobicContact CE1-CE2 3.9Å; F254-F296 HydrophobicContact CE1-CZ 4.43Å; F254-F296 HydrophobicContact CG-CE2 4.15Å
255E97.4Very high96.4Very high153 Ų15345.1 Ų45.172%0.71525%0.248SC*.Hα-helixtrans-77.5-25178.2-71.6174.8176.300112.8D251D251-E255 WeakPolarHBondContact O-CB 3.45Å; D251-E255 VanDerWaalsContact O-CG 3.3Å; D251-E255 WeakPolarHBondContact O-CG 3.35Å; D251-E255 PolarHBondContact O-N 3.19Å
256A96.6Very high96.3Very high14 Ų1444.9 Ų44.912%0.11625%0.247CC..SBendtrans-67.5135.3179.300000112.3A252 K262 V265A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 3.39Å; A256-K262 HydrophobicContact CB-CD 4.37Å; A256-K262 PolarHBondContact O-NZ 2.71Å; A256-V265 HydrophobicContact CB-CB 4.33Å; A256-V265 HydrophobicContact CB-CG1 3.95Å; A256-V265 HydrophobicContact CB-CG2 3.55Å
257P94.2Very high96.3Very high84 Ų8447 Ų4755%0.54526%0.256SS..  trans-63.8150.5178.328.6-35.6000111.6S259 G260P257-S259 PolarHBondContact O-N 2.61Å; P257-G260 PolarHBondContact O-N 3.33Å; P257-G260 VanDerWaalsContact O-N 3.07Å
258D92Very high96.3Very high62 Ų6247.9 Ų47.933%0.33226%0.263SS..THydrogen-bonded Turntrans-60.8-22.3176-79.4-32.5000113.1G260 S298 S300 L301D258-G260 VanDerWaalsContact C-N 3.28Å; D258-G260 PolarHBondContact O-N 3.04Å; D258-S298 PolarHBondContact OD1-OG 3.37Å; D258-S300 PolarHBondContact OD2-OG 3.36Å; D258-L301 HydrophobicContact CB-CD1 3.84Å; D258-L301 HydrophobicContact CB-CD2 4.46Å; D258-L301 HydrophobicContact CB-CG 4.09Å
259S89.6Confident96.3Very high114 Ų11445.7 Ų45.780%0.79725%0.253SS*.THydrogen-bonded Turntrans-76.8-12.1176.7620000114.1P257P257-S259 PolarHBondContact O-N 2.61Å
260G88.4Confident96.3Very high26 Ų2645.8 Ų45.827%0.26825%0.253SS..SBendtrans-93.4158.1-176.300000113.2P257 D258 K262P257-G260 PolarHBondContact O-N 3.33Å; P257-G260 VanDerWaalsContact O-N 3.07Å; D258-G260 VanDerWaalsContact C-N 3.28Å; D258-G260 PolarHBondContact O-N 3.04Å; G260-K262 PolarHBondContact O-N 3.01Å
261F92.8Very high96.2Very high126 Ų12648 Ų4855%0.55326%0.263SS*.  trans-80.9109.9174.9-62.6-64.7000110.9H263 E264 V265F261-H263 PolarHBondContact O-N 3.15Å; F261-H263 VanDerWaalsContact O-N 3.08Å; F261-E264 HydrophobicContact CB-CB 4.31Å; F261-E264 HydrophobicContact CB-CG 3.91Å; F261-E264 WeakPolarHBondContact CD2-OE1 3.27Å; F261-E264 WeakPolarHBondContact O-CB 3.21Å; F261-E264 PolarHBondContact O-N 3.26Å; F261-V265 PolarHBondContact O-N 3.11Å
262K95.4Very high96.2Very high1 Ų151.9 Ų51.90%0.00428%0.279CS..Hα-helixtrans-60-25.8-175.9-61.7-63.8-173.6179.50114L253 A256 G260 V265 L266 F296 E305 I307L253-K262 HydrophobicContact CD2-CB 4.01Å; L253-K262 HydrophobicContact CD2-CD 4.21Å; L253-K262 PolarHBondContact O-NZ 3.28Å; A256-K262 HydrophobicContact CB-CD 4.37Å; A256-K262 PolarHBondContact O-NZ 2.71Å; G260-K262 PolarHBondContact O-N 3.01Å; K262-V265 WeakPolarHBondContact O-CB 3.13Å; K262-V265 PolarHBondContact O-N 3.43Å; K262-L266 PolarHBondContact O-N 2.96Å; K262-F296 HydrophobicContact CD-CD1 4.46Å; K262-E305 WeakPolarHBondContact CG-OE2 3.36Å; K262-I307 HydrophobicContact CB-CD1 3.23Å; K262-I307 HydrophobicContact CB-CG1 4.41Å; K262-I307 HydrophobicContact CG-CD1 4.29Å
263H96.1Very high96.2Very high46 Ų4656.4 Ų56.421%0.21330%0.296CS..Hα-helixtrans-71.1-32.6174.573.3-81.3000114.1F261 Q267 I307 A342 C344F261-H263 PolarHBondContact O-N 3.15Å; F261-H263 VanDerWaalsContact O-N 3.08Å; H263-Q267 WeakPolarHBondContact O-CB 3.47Å; H263-Q267 PolarHBondContact O-N 3.47Å; H263-I307 VanDerWaalsContact CA-CG2 3.48Å; H263-I307 HydrophobicContact CB-CG2 3.53Å; H263-A342 HydrophobicContact CB-CB 4.4Å; H263-C344 HydrophobicContact CB-CB 3.89Å
264E97.2Very high96.1Very high87 Ų8756.5 Ų56.541%0.40730%0.296SS..Hα-helixtrans-70.1-38.5172.7-64.3-179-178.300110.5F261 Q267 N268F261-E264 HydrophobicContact CB-CB 4.31Å; F261-E264 HydrophobicContact CB-CG 3.91Å; F261-E264 WeakPolarHBondContact CD2-OE1 3.27Å; F261-E264 WeakPolarHBondContact O-CB 3.21Å; F261-E264 PolarHBondContact O-N 3.26Å; E264-Q267 PolarHBondContact O-N 3.04Å; E264-N268 WeakPolarHBondContact O-CB 3.28Å; E264-N268 VanDerWaalsContact O-CG 3.26Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.42Å
265V98.1Very high96.1Very high31 Ų3156 Ų5619%0.18830%0.295CS..Hα-helixtrans-57-54172.5178.60000109.9A252 L253 A256 F261 K262 Q267 N268 T269A252-V265 HydrophobicContact CB-CG1 4.11Å; L253-V265 HydrophobicContact CD2-CB 4.38Å; L253-V265 HydrophobicContact CD2-CG1 4.24Å; A256-V265 HydrophobicContact CB-CB 4.33Å; A256-V265 HydrophobicContact CB-CG1 3.95Å; A256-V265 HydrophobicContact CB-CG2 3.55Å; F261-V265 PolarHBondContact O-N 3.11Å; K262-V265 WeakPolarHBondContact O-CB 3.13Å; K262-V265 PolarHBondContact O-N 3.43Å; V265-Q267 VanDerWaalsContact C-N 3.32Å; V265-Q267 PolarHBondContact O-N 3.26Å; V265-N268 PolarHBondContact O-N 3.47Å; V265-T269 WeakPolarHBondContact O-CB 3.29Å; V265-T269 PolarHBondContact O-N 2.86Å; V265-T269 PolarHBondContact O-OG1 3.08Å
266L98.4Very high96Very high0 Ų054.6 Ų54.60%029%0.292CS..Hα-helixtrans-56-46.7177175.662.2000111.7V249 K262 N268 T269 L270 C292 I307 A309V249-L266 HydrophobicContact CB-CD1 4.39Å; V249-L266 HydrophobicContact CG1-CD1 3.51Å; V249-L266 HydrophobicContact CG2-CD1 3.92Å; K262-L266 PolarHBondContact O-N 2.96Å; L266-N268 PolarHBondContact O-N 3.27Å; L266-T269 PolarHBondContact O-N 3.05Å; L266-L270 HydrophobicContact CD1-CD1 4.18Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.47Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.31Å; L266-C292 HydrophobicContact CD1-CB 4.28Å; L266-I307 HydrophobicContact CB-CG2 4.35Å; L266-I307 HydrophobicContact CD2-CB 4.41Å; L266-I307 HydrophobicContact CD2-CG2 3.69Å; L266-A309 HydrophobicContact CD2-CB 3.52Å; L266-A309 HydrophobicContact CG-CB 3.67Å
267Q98.2Very high96.1Very high43 Ų4354.5 Ų54.520%0.20129%0.291CS..Hα-helixtrans-58.6-50.1179.9-170.5-17719.100111.5H263 E264 V265 L270 K271 V340 A342H263-Q267 WeakPolarHBondContact O-CB 3.47Å; H263-Q267 PolarHBondContact O-N 3.47Å; E264-Q267 PolarHBondContact O-N 3.04Å; V265-Q267 VanDerWaalsContact C-N 3.32Å; V265-Q267 PolarHBondContact O-N 3.26Å; Q267-L270 PolarHBondContact O-N 3.46Å; Q267-K271 HydrophobicContact CG-CD 4.41Å; Q267-K271 WeakPolarHBondContact O-CG 3.44Å; Q267-K271 PolarHBondContact O-N 2.92Å; Q267-V340 HydrophobicContact CG-CB 4.1Å; Q267-V340 HydrophobicContact CG-CG1 4.09Å; Q267-V340 PolarHBondContact NE2-O 3.46Å; Q267-A342 HydrophobicContact CB-CB 3.82Å; Q267-A342 HydrophobicContact CG-CB 4.21Å
268N98.2Very high96.2Very high75 Ų7556.3 Ų56.340%0.40130%0.299SS..Hα-helixtrans-66.7-41.5-179.3-68.7-23.2000111.6E264 V265 L266 L270 K271 E272E264-N268 WeakPolarHBondContact O-CB 3.28Å; E264-N268 VanDerWaalsContact O-CG 3.26Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.42Å; V265-N268 PolarHBondContact O-N 3.47Å; L266-N268 PolarHBondContact O-N 3.27Å; N268-L270 VanDerWaalsContact C-N 3.33Å; N268-L270 PolarHBondContact O-N 3.11Å; N268-K271 PolarHBondContact O-N 2.91Å; N268-E272 WeakPolarHBondContact O-CB 3.49Å; N268-E272 WeakPolarHBondContact O-CG 3.45Å; N268-E272 PolarHBondContact O-N 3.29Å
269T98.6Very high96.5Very high15 Ų1558 Ų589%0.09231%0.308CS..Hα-helixtrans-58-44.6174.8-58.20000111.4I248 V249 A252 V265 L266 K273I248-T269 HydrophobicContact CG2-CG2 3.85Å; V249-T269 HydrophobicContact CG2-CG2 4.26Å; A252-T269 HydrophobicContact CB-CG2 4.01Å; A252-T269 VanDerWaalsContact CB-OG1 3.24Å; A252-T269 WeakPolarHBondContact CB-OG1 3.41Å; V265-T269 WeakPolarHBondContact O-CB 3.29Å; V265-T269 PolarHBondContact O-N 2.86Å; V265-T269 PolarHBondContact O-OG1 3.08Å; L266-T269 PolarHBondContact O-N 3.05Å; T269-K273 HydrophobicContact CG2-CB 4.32Å; T269-K273 HydrophobicContact CG2-CG 4.08Å; T269-K273 WeakPolarHBondContact O-CA 3.35Å; T269-K273 WeakPolarHBondContact O-CB 3.46Å; T269-K273 PolarHBondContact O-N 2.75Å
270L98.3Very high96.9Very high2 Ų252.5 Ų52.51%0.0127%0.27CS..Iπ-helixtrans-68.8-36.5177.4-65.9-173.7000112.5T245 V249 L266 Q267 N268 Y274 L275 I290 C292 A309 V340T245-L270 HydrophobicContact CG2-CD2 4.03Å; V249-L270 HydrophobicContact CG2-CD2 3.86Å; L266-L270 HydrophobicContact CD1-CD1 4.18Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 4.47Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.31Å; Q267-L270 PolarHBondContact O-N 3.46Å; N268-L270 VanDerWaalsContact C-N 3.33Å; N268-L270 PolarHBondContact O-N 3.11Å; L270-Y274 WeakPolarHBondContact O-CA 3.43Å; L270-Y274 VanDerWaalsContact O-CB 3.25Å; L270-Y274 WeakPolarHBondContact O-CB 3.34Å; L270-Y274 PolarHBondContact O-N 2.78Å; L270-L275 PolarHBondContact O-N 3.33Å; L270-I290 HydrophobicContact CD1-CG1 3.88Å; L270-I290 HydrophobicContact CD1-CG2 4.44Å; L270-I290 HydrophobicContact CD2-CD1 4.43Å; L270-I290 HydrophobicContact CD2-CG1 3.92Å; L270-I290 HydrophobicContact CG-CG1 4.44Å; L270-C292 HydrophobicContact CD1-CB 4.48Å; L270-A309 HydrophobicContact CD1-CB 3.75Å; L270-V340 HydrophobicContact CB-CG1 4.27Å; L270-V340 HydrophobicContact CB-CG2 4.04Å; L270-V340 HydrophobicContact CD1-CG1 4.12Å
271K97.9Very high97.2Very high48 Ų4855.4 Ų55.421%0.20929%0.285CS..Iπ-helixtrans-62.2-49.4174.5-72.1175.8-177.2-154.80111.3Q267 N268 N276 D339 V340Q267-K271 HydrophobicContact CG-CD 4.41Å; Q267-K271 WeakPolarHBondContact O-CG 3.44Å; Q267-K271 PolarHBondContact O-N 2.92Å; N268-K271 PolarHBondContact O-N 2.91Å; K271-N276 VanDerWaalsContact O-CB 3.31Å; K271-N276 WeakPolarHBondContact O-CB 3.45Å; K271-N276 PolarHBondContact O-N 2.99Å; K271-N276 PolarHBondContact O-ND2 3.43Å; K271-D339 WeakPolarHBondContact CE-OD1 3.38Å; K271-D339 IonicContact NZ-OD1 2.82Å; K271-D339 PolarHBondContact NZ-OD1 3.24Å; K271-D339 IonicContact NZ-OD2 3.51Å; K271-D339 PolarHBondContact NZ-OD2 3.28Å; K271-V340 HydrophobicContact CG-CB 4.19Å; K271-V340 HydrophobicContact CG-CG2 3.87Å
272E97.8Very high97.2Very high120 Ų12056.9 Ų56.956%0.56130%0.299SS*.Iπ-helixtrans-82.2-50-172.7-66.9-180-175.800113N268 N276 S277N268-E272 WeakPolarHBondContact O-CB 3.49Å; N268-E272 WeakPolarHBondContact O-CG 3.45Å; N268-E272 PolarHBondContact O-N 3.29Å; E272-N276 CarbonylContact O-C 3.59Å; E272-S277 PolarHBondContact O-N 2.74Å
273K98Very high97.2Very high113 Ų11357.8 Ų57.849%0.49131%0.305SS..Iπ-helixtrans-90.2-13.3-170.5-51.5-62.7-175.1179.20113.3I248 T269 S277I248-K273 HydrophobicContact CG2-CB 3.87Å; I248-K273 HydrophobicContact CG2-CG 3.92Å; T269-K273 HydrophobicContact CG2-CB 4.32Å; T269-K273 HydrophobicContact CG2-CG 4.08Å; T269-K273 WeakPolarHBondContact O-CA 3.35Å; T269-K273 WeakPolarHBondContact O-CB 3.46Å; T269-K273 PolarHBondContact O-N 2.75Å; K273-S277 VanDerWaalsContact O-CB 3.26Å; K273-S277 WeakPolarHBondContact O-CB 3.3Å; K273-S277 PolarHBondContact O-OG 2.84Å
274Y97.7Very high97Very high2 Ų258.1 Ų58.11%0.00831%0.311CS..Iπ-helixtrans-114.5-71.8174.6-171.4-92.9000112.3Y239 L240 T243 T245 L270 N276 S277 L280 K288 L289 I290Y239-Y274 WeakPolarHBondContact CB-OH 3.35Å; L240-Y274 HydrophobicContact CD2-CE2 3.89Å; L240-Y274 HydrophobicContact CG-CE2 4.31Å; T243-Y274 HydrophobicContact CG2-CD2 4.16Å; T243-Y274 VanDerWaalsContact OG1-CD2 3.3Å; T243-Y274 WeakPolarHBondContact OG1-CD2 3.47Å; T245-Y274 WeakPolarHBondContact OG1-CD2 3.24Å; L270-Y274 WeakPolarHBondContact O-CA 3.43Å; L270-Y274 VanDerWaalsContact O-CB 3.25Å; L270-Y274 WeakPolarHBondContact O-CB 3.34Å; L270-Y274 PolarHBondContact O-N 2.78Å; Y274-N276 PolarHBondContact O-N 2.86Å; Y274-S277 VanDerWaalsContact O-CB 3.25Å; Y274-S277 WeakPolarHBondContact O-CB 3.34Å; Y274-S277 PolarHBondContact O-N 2.81Å; Y274-S277 VanDerWaalsContact O-N 3.15Å; Y274-L280 HydrophobicContact CD2-CD1 4.4Å; Y274-L280 HydrophobicContact CE2-CD1 4.28Å; Y274-L280 WeakPolarHBondContact O-CD1 3.43Å; Y274-K288 HydrophobicContact CE1-CB 4.22Å; Y274-L289 PolarHBondContact OH-O 3.49Å; Y274-I290 HydrophobicContact CD1-CB 3.8Å; Y274-I290 HydrophobicContact CD1-CG1 4.3Å; Y274-I290 HydrophobicContact CD1-CG2 3.86Å; Y274-I290 HydrophobicContact CE1-CB 3.61Å; Y274-I290 HydrophobicContact CE1-CG1 4.42Å; Y274-I290 HydrophobicContact CE1-CG2 4.01Å; Y274-I290 HydrophobicContact CE2-CD1 4.41Å; Y274-I290 HydrophobicContact CG-CB 4.49Å
275L96.3Very high96.7Very high15 Ų1562.4 Ų62.48%0.07933%0.329CS..Iπ-helixtrans-60.2-45.1-173-63-176.5000112.8L270 K288 I290 N311 V340L270-L275 PolarHBondContact O-N 3.33Å; L275-K288 HydrophobicContact CD2-CB 3.98Å; L275-K288 VanDerWaalsContact CD2-O 3.25Å; L275-K288 WeakPolarHBondContact CD2-O 3.48Å; L275-K288 WeakPolarHBondContact O-CD 3.46Å; L275-K288 PolarHBondContact O-NZ 3.04Å; L275-I290 HydrophobicContact CD2-CG2 4.38Å; L275-N311 WeakPolarHBondContact CD2-ND2 3.48Å; L275-V340 HydrophobicContact CD1-CG2 3.52Å; L275-V340 HydrophobicContact CG-CG2 4.29Å
276N96.6Very high96.1Very high122 Ų12266.2 Ų66.265%0.65234%0.344SS*.THydrogen-bonded Turntrans-99.617179.4-60.3-48.7000113.3K271 E272 Y274 V278K271-N276 VanDerWaalsContact O-CB 3.31Å; K271-N276 WeakPolarHBondContact O-CB 3.45Å; K271-N276 PolarHBondContact O-N 2.99Å; K271-N276 PolarHBondContact O-ND2 3.43Å; E272-N276 CarbonylContact O-C 3.59Å; Y274-N276 PolarHBondContact O-N 2.86Å; N276-V278 PolarHBondContact O-N 3.17Å
277S97.6Very high95.7Very high13 Ų1370 Ų709%0.09136%0.362CS..  trans-60.3134.1178-169.90000111.5E272 K273 Y274 L279 L280 C281E272-S277 PolarHBondContact O-N 2.74Å; K273-S277 VanDerWaalsContact O-CB 3.26Å; K273-S277 WeakPolarHBondContact O-CB 3.3Å; K273-S277 PolarHBondContact O-OG 2.84Å; Y274-S277 VanDerWaalsContact O-CB 3.25Å; Y274-S277 WeakPolarHBondContact O-CB 3.34Å; Y274-S277 PolarHBondContact O-N 2.81Å; Y274-S277 VanDerWaalsContact O-N 3.15Å; S277-L279 PolarHBondContact O-N 2.91Å; S277-L279 VanDerWaalsContact O-N 3.16Å; S277-L279 PolarHBondContact OG-N 2.82Å; S277-L280 CarbonylContact O-C 3.59Å; S277-L280 PolarHBondContact O-N 3.31Å; S277-C281 PolarHBondContact O-N 3.46Å
278V97.6Very high95.4Very high121 Ų12168.8 Ų68.873%0.73336%0.356SS*.G310 helixtrans-58.7-26171-62.50000112.1N276 L280 C281N276-V278 PolarHBondContact O-N 3.17Å; V278-L280 PolarHBondContact O-N 3.46Å; V278-C281 WeakPolarHBondContact O-CB 3.29Å; V278-C281 PolarHBondContact O-N 3.1Å; V278-C281 PolarHBondContact O-SG 3.39Å
279L97.8Very high95.2Very high97 Ų9766.5 Ų66.551%0.50834%0.343SS..G310 helixtrans-71.8-18.9178-57.2178000112.9K242 S277K242-L279 WeakPolarHBondContact O-CD1 3.38Å; S277-L279 PolarHBondContact O-N 2.91Å; S277-L279 VanDerWaalsContact O-N 3.16Å; S277-L279 PolarHBondContact OG-N 2.82Å
280L96.8Very high95.1Very high0 Ų065.8 Ų65.80%034%0.339CS..G310 helixtrans-115.917.9179.2-52.1-174.6000111.7Y239 K242 T243 Y274 S277 V278 N282 S283 K288Y239-L280 HydrophobicContact CD1-CD2 3.78Å; Y239-L280 HydrophobicContact CD2-CD1 4.15Å; Y239-L280 HydrophobicContact CD2-CD2 4.41Å; Y239-L280 HydrophobicContact CG-CD1 4.04Å; Y239-L280 HydrophobicContact CG-CD2 3.74Å; K242-L280 HydrophobicContact CB-CD2 4.14Å; K242-L280 HydrophobicContact CD-CD2 3.85Å; T243-L280 HydrophobicContact CG2-CD1 3.91Å; T243-L280 HydrophobicContact CG2-CD2 4.4Å; T243-L280 HydrophobicContact CG2-CG 3.94Å; Y274-L280 HydrophobicContact CD2-CD1 4.4Å; Y274-L280 HydrophobicContact CE2-CD1 4.28Å; Y274-L280 WeakPolarHBondContact O-CD1 3.43Å; S277-L280 CarbonylContact O-C 3.59Å; S277-L280 PolarHBondContact O-N 3.31Å; V278-L280 PolarHBondContact O-N 3.46Å; L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 3.03Å; L280-S283 WeakPolarHBondContact O-CB 3.39Å; L280-S283 PolarHBondContact O-N 2.92Å; L280-S283 VanDerWaalsContact O-N 3.08Å; L280-K288 HydrophobicContact CB-CD 4.47Å; L280-K288 HydrophobicContact CD1-CG 4.48Å; L280-K288 WeakPolarHBondContact O-CE 3.48Å; L280-K288 PolarHBondContact O-NZ 3Å
281C95.2Very high95Very high86 Ų8665.7 Ų65.758%0.58134%0.338SS*.THydrogen-bonded Turntrans-59.1-37.3-175.862.50000112.8S277 V278S277-C281 PolarHBondContact O-N 3.46Å; V278-C281 WeakPolarHBondContact O-CB 3.29Å; V278-C281 PolarHBondContact O-N 3.1Å; V278-C281 PolarHBondContact O-SG 3.39Å
282N94.2Very high95Very high158 Ų15863.4 Ų63.485%0.84533%0.329SS*.THydrogen-bonded Turntrans-93.44.2179.3-62.8-29.6000113.3L280L280-N282 VanDerWaalsContact C-N 3.27Å; L280-N282 PolarHBondContact O-N 3.03Å
283S94.4Very high95Very high19 Ų1957.7 Ų57.713%0.13330%0.302CS..SBendtrans-87.9137-179-63.10000111.2L280 K285 K288L280-S283 WeakPolarHBondContact O-CB 3.39Å; L280-S283 PolarHBondContact O-N 2.92Å; L280-S283 VanDerWaalsContact O-N 3.08Å; S283-K285 PolarHBondContact O-N 2.74Å; S283-K288 VanDerWaalsContact O-CE 3.25Å; S283-K288 WeakPolarHBondContact O-CE 2.84Å
284P91.5Very high95Very high53 Ų5352.3 Ų52.334%0.34428%0.278SS..  trans-56136.1176-2332.7000111.6E286 H287P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 VanDerWaalsContact CB-CD 3.42Å; P284-E286 HydrophobicContact CB-CG 4.16Å; P284-E286 WeakPolarHBondContact CB-OE2 3.41Å; P284-E286 PolarHBondContact O-N 2.77Å; P284-H287 PolarHBondContact O-N 3.2Å; P284-H287 VanDerWaalsContact O-N 3.14Å
285K90.4Very high95Very high178 Ų17852.2 Ų52.277%0.77428%0.278SS*.G310 helixtrans-62.7-37.3-174.3-71-175.1178.4-177.40111.7S283 H287 K288S283-K285 PolarHBondContact O-N 2.74Å; K285-H287 PolarHBondContact O-N 3.04Å; K285-K288 WeakPolarHBondContact O-CB 3.49Å; K285-K288 PolarHBondContact O-N 3.47Å
286E87.5Confident95.1Very high110 Ų11051.5 Ų51.551%0.51427%0.274SS..G310 helixtrans-62.7-19.717862.6-90.3-145.900114.1P284P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 VanDerWaalsContact CB-CD 3.42Å; P284-E286 HydrophobicContact CB-CG 4.16Å; P284-E286 WeakPolarHBondContact CB-OE2 3.41Å; P284-E286 PolarHBondContact O-N 2.77Å
287H88.9Confident95.1Very high79 Ų7945.7 Ų45.737%0.36624%0.243SC..G310 helixtrans-91.2-13.5175.9-65.1173000112.4C236 Y239 P284 K285 L289C236-H287 WeakPolarHBondContact CB-O 3.22Å; Y239-H287 WeakPolarHBondContact CD2-O 3.17Å; Y239-H287 HydrophobicContact CE2-CB 3.48Å; Y239-H287 VanDerWaalsContact CE2-CB 3.48Å; Y239-H287 WeakPolarHBondContact CE2-O 3.32Å; Y239-H287 WeakPolarHBondContact OH-CB 3.02Å; P284-H287 PolarHBondContact O-N 3.2Å; P284-H287 VanDerWaalsContact O-N 3.14Å; K285-H287 PolarHBondContact O-N 3.04Å; H287-L289 PolarHBondContact O-N 2.91Å
288K93.1Very high94.9Very high18 Ų1845.1 Ų45.18%0.07824%0.239CC..  trans-80.256.9-178.6-58.3-178.2-176.7-173.20111.5Y239 Y274 L275 L280 S283 K285 N311Y239-K288 HydrophobicContact CD2-CG 4.12Å; Y239-K288 HydrophobicContact CE2-CG 4.04Å; Y274-K288 HydrophobicContact CE1-CB 4.22Å; L275-K288 HydrophobicContact CD2-CB 3.98Å; L275-K288 VanDerWaalsContact CD2-O 3.25Å; L275-K288 WeakPolarHBondContact CD2-O 3.48Å; L275-K288 WeakPolarHBondContact O-CD 3.46Å; L275-K288 PolarHBondContact O-NZ 3.04Å; L280-K288 HydrophobicContact CB-CD 4.47Å; L280-K288 HydrophobicContact CD1-CG 4.48Å; L280-K288 WeakPolarHBondContact O-CE 3.48Å; L280-K288 PolarHBondContact O-NZ 3Å; S283-K288 VanDerWaalsContact O-CE 3.25Å; S283-K288 WeakPolarHBondContact O-CE 2.84Å; K285-K288 WeakPolarHBondContact O-CB 3.49Å; K285-K288 PolarHBondContact O-N 3.47Å; K288-N311 PolarHBondContact O-ND2 2.73Å
289L93Very high94.8Very high27 Ų2741.9 Ų41.914%0.14122%0.221CC..  trans-88135.4177.4-66.5171.7000111.2M178 G235 C236 Y274 H287 N311M178-L289 HydrophobicContact CE-CD1 3.09Å; M178-L289 HydrophobicContact SD-CD1 3.93Å; G235-L289 WeakPolarHBondContact CA-O 3.37Å; C236-L289 PolarHBondContact N-O 3.44Å; C236-L289 VanDerWaalsContact N-O 3.14Å; Y274-L289 PolarHBondContact OH-O 3.49Å; H287-L289 PolarHBondContact O-N 2.91Å; L289-N311 WeakPolarHBondContact CA-OD1 3.24Å
290I95.8Very high94.6Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-142.8142.1-177.6-176.664.4000111.1S234 L240 T245 L270 Y274 L275 H310 N311S234-I290 CarbonylContact O-C 3.56Å; S234-I290 WeakPolarHBondContact O-CA 3.46Å; L240-I290 HydrophobicContact CD2-CD1 3.35Å; T245-I290 HydrophobicContact CG2-CD1 3.93Å; L270-I290 HydrophobicContact CD1-CG1 3.88Å; L270-I290 HydrophobicContact CD1-CG2 4.44Å; L270-I290 HydrophobicContact CD2-CD1 4.43Å; L270-I290 HydrophobicContact CD2-CG1 3.92Å; L270-I290 HydrophobicContact CG-CG1 4.44Å; Y274-I290 HydrophobicContact CD1-CB 3.8Å; Y274-I290 HydrophobicContact CD1-CG1 4.3Å; Y274-I290 HydrophobicContact CD1-CG2 3.86Å; Y274-I290 HydrophobicContact CE1-CB 3.61Å; Y274-I290 HydrophobicContact CE1-CG1 4.42Å; Y274-I290 HydrophobicContact CE1-CG2 4.01Å; Y274-I290 HydrophobicContact CE2-CD1 4.41Å; Y274-I290 HydrophobicContact CG-CB 4.49Å; L275-I290 HydrophobicContact CD2-CG2 4.38Å; I290-H310 CarbonylContact O-C 3.56Å; I290-H310 WeakPolarHBondContact O-CA 3.3Å; I290-H310 VanDerWaalsContact O-CB 3.31Å; I290-H310 WeakPolarHBondContact O-CB 3.46Å; I290-N311 HydrophobicContact CG2-CB 4.42Å; I290-N311 WeakPolarHBondContact CG2-OD1 3.25Å; I290-N311 PolarHBondContact N-OD1 3.28Å; I290-N311 PolarHBondContact O-N 3.21Å; I290-N311 PolarHBondContact O-OD1 3.44Å
291G96.7Very high94.3Very high0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-145137161.900000110.1C233 S234 A309C233-G291 CarbonylContact C-O 3.54Å; C233-G291 WeakPolarHBondContact CA-O 3.23Å; S234-G291 PolarHBondContact N-O 3.09Å; S234-G291 PolarHBondContact O-N 3.07Å; G291-A309 CarbonylContact C-O 3.51Å; G291-A309 VanDerWaalsContact CA-O 3.25Å; G291-A309 WeakPolarHBondContact CA-O 3.21Å
292C97.7Very high94.2Very high0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-134.4137.4178.1-65.90000109.5S232 L266 L270 W308 A309 F315S232-C292 WeakPolarHBondContact O-CA 3.2Å; L266-C292 HydrophobicContact CD1-CB 4.28Å; L270-C292 HydrophobicContact CD1-CB 4.48Å; C292-W308 CarbonylContact O-C 3.56Å; C292-W308 WeakPolarHBondContact O-CA 3.43Å; C292-A309 PolarHBondContact N-O 3.15Å; C292-A309 PolarHBondContact O-N 3.12Å; C292-F315 WeakPolarHBondContact O-CE1 3.33Å
293I98.5Very high94Very high0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-109139.9159.264.7176000108.7A10 H12 I184 V231 S232 F306 I307 W308 F315 V317A10-I293 HydrophobicContact CB-CD1 4.22Å; H12-I293 HydrophobicContact CB-CD1 4.33Å; H12-I293 HydrophobicContact CB-CG2 4.14Å; I184-I293 HydrophobicContact CD1-CB 4.25Å; I184-I293 HydrophobicContact CD1-CD1 4.14Å; I184-I293 HydrophobicContact CD1-CG1 3.94Å; I184-I293 HydrophobicContact CG1-CD1 3.89Å; I184-I293 HydrophobicContact CG1-CG1 4.17Å; I184-I293 HydrophobicContact CG2-CG1 4.33Å; V231-I293 WeakPolarHBondContact CA-O 3.32Å; S232-I293 PolarHBondContact N-O 3.17Å; S232-I293 PolarHBondContact O-N 3.33Å; I293-F306 HydrophobicContact CB-CE2 4.05Å; I293-F306 HydrophobicContact CB-CZ 4.4Å; I293-F306 HydrophobicContact CG2-CE2 4.47Å; I293-F306 HydrophobicContact CG2-CZ 4.33Å; I293-I307 CarbonylContact C-O 3.58Å; I293-I307 WeakPolarHBondContact CA-O 3.37Å; I293-W308 HydrophobicContact CG2-CB 4.06Å; I293-F315 HydrophobicContact CG2-CE1 3.85Å; I293-F315 HydrophobicContact CG2-CZ 3.78Å; I293-V317 HydrophobicContact CG2-CG1 4.09Å; I293-V317 HydrophobicContact CG2-CG2 3.81Å
294C98.6Very high94Very high0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-134.4145.8179.5-48.30000109.8A230 V231 V249 L253 F306 I307A230-C294 CarbonylContact O-C 3.59Å; A230-C294 VanDerWaalsContact O-CA 3.24Å; A230-C294 WeakPolarHBondContact O-CA 3.46Å; V231-C294 HydrophobicContact CG2-CB 4.44Å; V249-C294 VanDerWaalsContact CG1-SG 3.6Å; L253-C294 HydrophobicContact CD1-CB 3.92Å; C294-F306 VanDerWaalsContact O-CD2 3.26Å; C294-F306 WeakPolarHBondContact O-CD2 3.36Å; C294-I307 HydrophobicContact CB-CB 4.36Å; C294-I307 PolarHBondContact N-O 2.92Å; C294-I307 PolarHBondContact O-N 3.31Å; C294-I307 VanDerWaalsContact O-O 3.14Å
295V97.8Very high94.2Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-122.1131.3163.761.90000107.4F8 I184 V186 C229 A230 L304 E305F8-V295 HydrophobicContact CD1-CB 4.01Å; F8-V295 HydrophobicContact CD1-CG1 4.36Å; F8-V295 HydrophobicContact CD1-CG2 3.7Å; F8-V295 HydrophobicContact CE1-CB 3.91Å; F8-V295 HydrophobicContact CE1-CG2 3.93Å; F8-V295 HydrophobicContact CG-CG2 4.16Å; I184-V295 HydrophobicContact CB-CG1 4.35Å; I184-V295 HydrophobicContact CD1-CB 3.84Å; I184-V295 HydrophobicContact CD1-CG1 3.87Å; I184-V295 HydrophobicContact CG1-CG1 4.34Å; V186-V295 HydrophobicContact CG2-CG1 3.68Å; V186-V295 HydrophobicContact CG2-CG2 3.97Å; C229-V295 VanDerWaalsContact CA-O 3.3Å; C229-V295 WeakPolarHBondContact CA-O 3.37Å; A230-V295 HydrophobicContact CB-CG1 3.85Å; A230-V295 PolarHBondContact N-O 3.11Å; A230-V295 PolarHBondContact O-N 3.43Å; V295-L304 HydrophobicContact CG2-CD1 3.94Å; V295-L304 HydrophobicContact CG2-CD2 3.62Å; V295-L304 HydrophobicContact CG2-CG 3.71Å; V295-E305 WeakPolarHBondContact CA-O 3.45Å
296F97.5Very high94.5Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-127.5125.5176.9-167.6-91.3000109.2N227 I228 C229 L253 F254 K262 L304 E305N227-F296 HydrophobicContact CB-CZ 4.02Å; I228-F296 CarbonylContact O-C 3.48Å; I228-F296 VanDerWaalsContact O-CA 3.31Å; I228-F296 WeakPolarHBondContact O-CA 3.18Å; C229-F296 HydrophobicContact CB-CD2 3.95Å; C229-F296 HydrophobicContact CB-CE2 4.35Å; L253-F296 HydrophobicContact CB-CD2 3.87Å; L253-F296 HydrophobicContact CB-CE2 4.1Å; F254-F296 AromaticContact CD1-CE2 3.65Å; F254-F296 HydrophobicContact CD1-CE2 3.65Å; F254-F296 HydrophobicContact CD1-CZ 4.05Å; F254-F296 AromaticContact CE1-CE2 3.9Å; F254-F296 HydrophobicContact CE1-CE2 3.9Å; F254-F296 HydrophobicContact CE1-CZ 4.43Å; F254-F296 HydrophobicContact CG-CE2 4.15Å; K262-F296 HydrophobicContact CD-CD1 4.46Å; F296-L304 CarbonylContact O-C 3.49Å; F296-L304 WeakPolarHBondContact O-CA 3.45Å; F296-E305 PolarHBondContact N-O 2.71Å; F296-E305 PolarHBondContact O-N 2.92Å
297Y96Very high95Very high1 Ų123.3 Ų23.30%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-110.7121.6171.4171.4-98.2000109.4K4 I6 N227 I228 C299 N302 L303 L304K4-Y297 WeakPolarHBondContact CD-OH 3.25Å; K4-Y297 WeakPolarHBondContact CE-OH 3.38Å; K4-Y297 PolarHBondContact NZ-OH 3.23Å; I6-Y297 HydrophobicContact CD1-CD2 4.45Å; I6-Y297 HydrophobicContact CD1-CG 4.43Å; I6-Y297 HydrophobicContact CG2-CD2 4.17Å; I6-Y297 HydrophobicContact CG2-CE2 3.85Å; N227-Y297 CarbonylContact C-O 3.51Å; N227-Y297 VanDerWaalsContact CA-O 3.24Å; N227-Y297 WeakPolarHBondContact CA-O 3.2Å; N227-Y297 WeakPolarHBondContact CB-O 3.48Å; I228-Y297 HydrophobicContact CD1-CD1 3.62Å; I228-Y297 HydrophobicContact CD1-CE1 4.39Å; I228-Y297 HydrophobicContact CD1-CG 4.11Å; I228-Y297 HydrophobicContact CG1-CD1 3.92Å; I228-Y297 PolarHBondContact N-O 2.87Å; I228-Y297 PolarHBondContact O-N 3.24Å; Y297-C299 HydrophobicContact CE1-CB 4.12Å; Y297-N302 PolarHBondContact OH-OD1 3.49Å; Y297-L303 CarbonylContact C-O 3.59Å; Y297-L303 VanDerWaalsContact CA-O 3.31Å; Y297-L303 WeakPolarHBondContact CA-O 3.44Å; Y297-L303 WeakPolarHBondContact CD2-O 3.38Å; Y297-L304 HydrophobicContact CD2-CB 4.21Å
298S95Very high95.4Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-93.3120.7173.7175.70000109.8N227 D258 S300 L301 N302 L303N227-S298 WeakPolarHBondContact OD1-CA 3.46Å; D258-S298 PolarHBondContact OD1-OG 3.37Å; S298-S300 PolarHBondContact OG-OG 3.28Å; S298-L301 PolarHBondContact OG-N 3.03Å; S298-N302 VanDerWaalsContact O-CA 3.27Å; S298-N302 WeakPolarHBondContact O-CA 3.38Å; S298-N302 PolarHBondContact O-N 3.47Å; S298-L303 PolarHBondContact N-O 3.02Å; S298-L303 PolarHBondContact O-N 3.02Å
299C93.6Very high95.6Very high53 Ų5319.8 Ų19.836%0.35811%0.112SC..THydrogen-bonded Turntrans-74.5-31.8-177.673.30000112.8G226 N227 Y297G226-C299 WeakPolarHBondContact O-CB 3.42Å; N227-C299 PolarHBondContact OD1-N 3.01Å; N227-C299 PolarHBondContact OD1-SG 3.02Å; N227-C299 VanDerWaalsContact OD1-SG 3.37Å; Y297-C299 HydrophobicContact CE1-CB 4.12Å
300S93.4Very high95.9Very high78 Ų7818.5 Ų18.555%0.54511%0.106SC..THydrogen-bonded Turntrans-68.8-41.5176.749.60000111.5D258 S298D258-S300 PolarHBondContact OD2-OG 3.36Å; S298-S300 PolarHBondContact OG-OG 3.28Å
301L92.4Very high95.8Very high89 Ų8918.7 Ų18.747%0.46611%0.107SC..THydrogen-bonded Turntrans-87-14.5178.2-61-175.3000113.5D258 S298 L303D258-L301 HydrophobicContact CB-CD1 3.84Å; D258-L301 HydrophobicContact CB-CD2 4.46Å; D258-L301 HydrophobicContact CB-CG 4.09Å; S298-L301 PolarHBondContact OG-N 3.03Å; L301-L303 HydrophobicContact CB-CB 3.85Å; L301-L303 HydrophobicContact CD1-CD2 4.41Å; L301-L303 PolarHBondContact O-N 3.48Å
302N91.3Very high95.7Very high86 Ų8618.8 Ų18.846%0.4611%0.108SC..THydrogen-bonded Turntrans47.948.1-166.8-171.752.8000111.9Y297 S298Y297-N302 PolarHBondContact OH-OD1 3.49Å; S298-N302 VanDerWaalsContact O-CA 3.27Å; S298-N302 WeakPolarHBondContact O-CA 3.38Å; S298-N302 PolarHBondContact O-N 3.47Å
303L92Very high95.4Very high37 Ų3720.4 Ų20.419%0.19412%0.121CC..EExtended strand (participates in β ladder)trans-125.8132.2-172.7-178.666.4000110.2Y297 S298 L301 E305 C346 Q348Y297-L303 CarbonylContact C-O 3.59Å; Y297-L303 VanDerWaalsContact CA-O 3.31Å; Y297-L303 WeakPolarHBondContact CA-O 3.44Å; Y297-L303 WeakPolarHBondContact CD2-O 3.38Å; S298-L303 PolarHBondContact N-O 3.02Å; S298-L303 PolarHBondContact O-N 3.02Å; L301-L303 HydrophobicContact CB-CB 3.85Å; L301-L303 HydrophobicContact CD1-CD2 4.41Å; L301-L303 PolarHBondContact O-N 3.48Å; L303-E305 HydrophobicContact CD2-CG 4.04Å; L303-E305 HydrophobicContact CG-CG 4.17Å; L303-C346 HydrophobicContact CD1-CB 4.22Å; L303-Q348 HydrophobicContact CD1-CG 4.49Å
304L94Very high95.2Very high7 Ų720.7 Ų20.74%0.03712%0.122CC..EExtended strand (participates in β ladder)trans-105.4122.3170.9-172.2149.3000109.9I6 F8 V186 V295 F296 Y297 A347I6-L304 HydrophobicContact CB-CD1 4.33Å; F8-L304 HydrophobicContact CB-CD1 3.82Å; F8-L304 HydrophobicContact CB-CD2 4.35Å; F8-L304 HydrophobicContact CD2-CD2 3.55Å; F8-L304 HydrophobicContact CE2-CD2 3.99Å; F8-L304 HydrophobicContact CG-CD1 4.23Å; F8-L304 HydrophobicContact CG-CD2 3.92Å; V186-L304 HydrophobicContact CB-CD1 4.5Å; V186-L304 HydrophobicContact CG2-CD1 4.43Å; V295-L304 HydrophobicContact CG2-CD1 3.94Å; V295-L304 HydrophobicContact CG2-CD2 3.62Å; V295-L304 HydrophobicContact CG2-CG 3.71Å; F296-L304 CarbonylContact O-C 3.49Å; F296-L304 WeakPolarHBondContact O-CA 3.45Å; Y297-L304 HydrophobicContact CD2-CB 4.21Å; L304-A347 HydrophobicContact CD2-CB 4.25Å; L304-A347 PolarHBondContact N-O 2.65Å; L304-A347 PolarHBondContact O-N 2.67Å; L304-A347 VanDerWaalsContact O-O 3.08Å
305E95Very high95Very high14 Ų1420.7 Ų20.77%0.06512%0.122CC..EExtended strand (participates in β ladder)trans-109124.5176.9-67.2177.483.800109.8K262 V295 F296 L303 I307K262-E305 WeakPolarHBondContact CG-OE2 3.36Å; V295-E305 WeakPolarHBondContact CA-O 3.45Å; F296-E305 PolarHBondContact N-O 2.71Å; F296-E305 PolarHBondContact O-N 2.92Å; L303-E305 HydrophobicContact CD2-CG 4.04Å; L303-E305 HydrophobicContact CG-CG 4.17Å; E305-I307 HydrophobicContact CB-CD1 4.28Å; E305-I307 HydrophobicContact CB-CG1 4.16Å
306F96.6Very high94.9Very high1 Ų120.7 Ų20.70%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-100125.3168.5175.2-125.9000110.3F8 A10 I184 I293 C294 W308 V317 F319 C344 I345F8-F306 AromaticContact CE1-CD2 3.91Å; F8-F306 HydrophobicContact CE1-CD2 3.91Å; F8-F306 HydrophobicContact CE1-CG 4.36Å; F8-F306 HydrophobicContact CE2-CB 3.81Å; F8-F306 HydrophobicContact CE2-CD2 4.48Å; F8-F306 HydrophobicContact CE2-CG 4.11Å; F8-F306 HydrophobicContact CZ-CB 3.55Å; F8-F306 HydrophobicContact CZ-CD1 4.2Å; F8-F306 AromaticContact CZ-CD2 3.42Å; F8-F306 HydrophobicContact CZ-CD2 3.42Å; F8-F306 VanDerWaalsContact CZ-CD2 3.42Å; F8-F306 HydrophobicContact CZ-CE2 4.17Å; F8-F306 AromaticContact CZ-CG 3.44Å; F8-F306 HydrophobicContact CZ-CG 3.44Å; F8-F306 VanDerWaalsContact CZ-CG 3.44Å; A10-F306 HydrophobicContact CB-CD2 4Å; A10-F306 HydrophobicContact CB-CE1 4.41Å; A10-F306 HydrophobicContact CB-CE2 3.36Å; A10-F306 HydrophobicContact CB-CZ 3.59Å; I184-F306 HydrophobicContact CD1-CD2 4.36Å; I184-F306 HydrophobicContact CD1-CE2 4.11Å; I293-F306 HydrophobicContact CB-CE2 4.05Å; I293-F306 HydrophobicContact CB-CZ 4.4Å; I293-F306 HydrophobicContact CG2-CE2 4.47Å; I293-F306 HydrophobicContact CG2-CZ 4.33Å; C294-F306 VanDerWaalsContact O-CD2 3.26Å; C294-F306 WeakPolarHBondContact O-CD2 3.36Å; F306-W308 HydrophobicContact CD1-CE3 4.05Å; F306-W308 HydrophobicContact CD1-CZ3 4.06Å; F306-W308 AromaticContact CE1-CE3 3.73Å; F306-W308 HydrophobicContact CE1-CE3 3.73Å; F306-W308 HydrophobicContact CE1-CZ3 4.05Å; F306-W308 HydrophobicContact CZ-CE3 4.26Å; F306-V317 HydrophobicContact CE1-CG1 3.72Å; F306-V317 HydrophobicContact CZ-CG1 3.37Å; F306-F319 HydrophobicContact CD1-CB 4.01Å; F306-F319 AromaticContact CD1-CD1 3.75Å; F306-F319 HydrophobicContact CD1-CD1 3.75Å; F306-F319 HydrophobicContact CD1-CD2 4.49Å; F306-F319 HydrophobicContact CD1-CE1 4.36Å; F306-F319 AromaticContact CD1-CG 3.82Å; F306-F319 HydrophobicContact CD1-CG 3.82Å; F306-F319 HydrophobicContact CE1-CB 3.89Å; F306-F319 AromaticContact CE1-CD1 3.73Å; F306-F319 HydrophobicContact CE1-CD1 3.73Å; F306-F319 AromaticContact CE1-CG 4Å; F306-F319 HydrophobicContact CE1-CG 4Å; F306-F319 HydrophobicContact CZ-CB 4.34Å; F306-C344 CarbonylContact O-C 3.52Å; F306-C344 WeakPolarHBondContact O-CA 3.49Å; F306-I345 PolarHBondContact N-O 3.08Å; F306-I345 PolarHBondContact O-N 3.04Å
307I97.5Very high94.9Very high0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-133.6143.1-167.1-43.4167.7000109.1L253 K262 H263 L266 I293 C294 E305 G343L253-I307 HydrophobicContact CD2-CD1 4.24Å; K262-I307 HydrophobicContact CB-CD1 3.23Å; K262-I307 HydrophobicContact CB-CG1 4.41Å; K262-I307 HydrophobicContact CG-CD1 4.29Å; H263-I307 VanDerWaalsContact CA-CG2 3.48Å; H263-I307 HydrophobicContact CB-CG2 3.53Å; L266-I307 HydrophobicContact CB-CG2 4.35Å; L266-I307 HydrophobicContact CD2-CB 4.41Å; L266-I307 HydrophobicContact CD2-CG2 3.69Å; I293-I307 CarbonylContact C-O 3.58Å; I293-I307 WeakPolarHBondContact CA-O 3.37Å; C294-I307 HydrophobicContact CB-CB 4.36Å; C294-I307 PolarHBondContact N-O 2.92Å; C294-I307 PolarHBondContact O-N 3.31Å; C294-I307 VanDerWaalsContact O-O 3.14Å; E305-I307 HydrophobicContact CB-CD1 4.28Å; E305-I307 HydrophobicContact CB-CG1 4.16Å; I307-G343 WeakPolarHBondContact CA-O 3.48Å; I307-G343 WeakPolarHBondContact CG2-O 3.07Å
308W98.2Very high95Very high22 Ų2220.9 Ų20.98%0.08312%0.124CC..EExtended strand (participates in β ladder)trans-140.3154.2169.965.791.3000111C292 I293 F306 F315 V330 S332 A342 G343 I345C292-W308 CarbonylContact O-C 3.56Å; C292-W308 WeakPolarHBondContact O-CA 3.43Å; I293-W308 HydrophobicContact CG2-CB 4.06Å; F306-W308 HydrophobicContact CD1-CE3 4.05Å; F306-W308 HydrophobicContact CD1-CZ3 4.06Å; F306-W308 AromaticContact CE1-CE3 3.73Å; F306-W308 HydrophobicContact CE1-CE3 3.73Å; F306-W308 HydrophobicContact CE1-CZ3 4.05Å; F306-W308 HydrophobicContact CZ-CE3 4.26Å; W308-F315 HydrophobicContact CB-CE1 4.23Å; W308-V330 HydrophobicContact CD2-CG1 4.42Å; W308-V330 HydrophobicContact CH2-CG1 3.96Å; W308-V330 HydrophobicContact CH2-CG2 4.08Å; W308-V330 HydrophobicContact CZ2-CB 4.44Å; W308-V330 HydrophobicContact CZ2-CG1 3.41Å; W308-V330 VanDerWaalsContact CZ2-CG1 3.41Å; W308-V330 HydrophobicContact CZ2-CG2 4.39Å; W308-V330 HydrophobicContact CZ3-CG2 4.36Å; W308-S332 PolarHBondContact NE1-OG 2.83Å; W308-A342 CarbonylContact O-C 3.48Å; W308-A342 WeakPolarHBondContact O-CA 3.49Å; W308-G343 PolarHBondContact N-O 3.04Å; W308-G343 PolarHBondContact O-N 3.08Å; W308-I345 HydrophobicContact CH2-CD1 3.9Å; W308-I345 HydrophobicContact CH2-CG1 3.9Å; W308-I345 HydrophobicContact CZ3-CD1 3.85Å; W308-I345 HydrophobicContact CZ3-CG1 3.82Å
309A98.2Very high95.1Very high0 Ų021.2 Ų21.20%013%0.125CC..EExtended strand (participates in β ladder)trans-149147.9171.900000111.6L266 L270 G291 C292 V340 K341 A342L266-A309 HydrophobicContact CD2-CB 3.52Å; L266-A309 HydrophobicContact CG-CB 3.67Å; L270-A309 HydrophobicContact CD1-CB 3.75Å; G291-A309 CarbonylContact C-O 3.51Å; G291-A309 VanDerWaalsContact CA-O 3.25Å; G291-A309 WeakPolarHBondContact CA-O 3.21Å; C292-A309 PolarHBondContact N-O 3.15Å; C292-A309 PolarHBondContact O-N 3.12Å; A309-V340 HydrophobicContact CB-CG1 3.78Å; A309-K341 CarbonylContact C-O 3.59Å; A309-K341 WeakPolarHBondContact CA-O 3.38Å; A309-A342 HydrophobicContact CB-CB 3.92Å
310H97.3Very high95.2Very high0 Ų019.7 Ų19.70%011%0.112CC..EExtended strand (participates in β ladder)trans-162159.6177.268.9111.1000113.2A15 I290 S312 F315 S332 N334 K341A15-H310 HydrophobicContact CB-CB 3.98Å; I290-H310 CarbonylContact O-C 3.56Å; I290-H310 WeakPolarHBondContact O-CA 3.3Å; I290-H310 VanDerWaalsContact O-CB 3.31Å; I290-H310 WeakPolarHBondContact O-CB 3.46Å; H310-S312 PolarHBondContact CE1-O 3.2Å; H310-S312 PolarHBondContact ND1-N 2.97Å; H310-S312 PolarHBondContact ND1-O 3.04Å; H310-S312 PolarHBondContact ND1-OG 3Å; H310-F315 HydrophobicContact CB-CB 4.08Å; H310-F315 HydrophobicContact CB-CD1 3.8Å; H310-F315 HydrophobicContact CB-CE1 4.46Å; H310-F315 HydrophobicContact CB-CG 4.14Å; H310-F315 AromaticContact CD2-CD1 3.84Å; H310-F315 VanDerWaalsContact CG-CB 3.48Å; H310-F315 AromaticContact CG-CD1 3.89Å; H310-S332 PolarHBondContact CD2-OG 3.47Å; H310-S332 VanDerWaalsContact NE2-CB 3.25Å; H310-S332 WeakPolarHBondContact NE2-CB 3.43Å; H310-S332 PolarHBondContact NE2-OG 3.09Å; H310-N334 PolarHBondContact O-ND2 3.09Å; H310-K341 PolarHBondContact N-O 3.24Å; H310-K341 PolarHBondContact O-N 2.95Å
311N95.5Very high95.3Very high4 Ų416.3 Ų16.32%0.0219%0.088CC..SBendtrans-116.327.717175.3-28.2000113.2L275 K288 L289 I290 D339L275-N311 WeakPolarHBondContact CD2-ND2 3.48Å; K288-N311 PolarHBondContact O-ND2 2.73Å; L289-N311 WeakPolarHBondContact CA-OD1 3.24Å; I290-N311 HydrophobicContact CG2-CB 4.42Å; I290-N311 WeakPolarHBondContact CG2-OD1 3.25Å; I290-N311 PolarHBondContact N-OD1 3.28Å; I290-N311 PolarHBondContact O-N 3.21Å; I290-N311 PolarHBondContact O-OD1 3.44Å; N311-D339 WeakPolarHBondContact CB-O 2.7Å
312S92.9Very high95.1Very high3 Ų316.1 Ų16.12%0.0218%0.083CC..SBendtrans-103.4161.8176.971.80000112.3A15 G16 H310 V314 N334 L337A15-S312 VanDerWaalsContact C-CB 3.48Å; A15-S312 WeakPolarHBondContact CA-OG 3.41Å; A15-S312 WeakPolarHBondContact CB-OG 3.2Å; G16-S312 PolarHBondContact N-OG 3.2Å; H310-S312 PolarHBondContact CE1-O 3.2Å; H310-S312 PolarHBondContact ND1-N 2.97Å; H310-S312 PolarHBondContact ND1-O 3.04Å; H310-S312 PolarHBondContact ND1-OG 3Å; S312-V314 PolarHBondContact O-N 3.04Å; S312-V314 PolarHBondContact OG-O 2.96Å; S312-N334 VanDerWaalsContact O-CB 3.26Å; S312-N334 WeakPolarHBondContact O-CB 3.5Å; S312-L337 VanDerWaalsContact C-CD2 3.4Å
313A92.5Very high94.8Very high33 Ų3315.2 Ų15.227%0.27310%0.095SC..SBendtrans-56.9-39.6177.500000112.4Y17 R333 N334 L337Y17-A313 HydrophobicContact CD2-CB 4.48Å; A313-R333 WeakPolarHBondContact O-CA 3.49Å; A313-N334 PolarHBondContact O-N 3.31Å; A313-L337 HydrophobicContact CB-CD2 4.38Å; A313-L337 VanDerWaalsContact N-CD2 3.3Å
314V93.5Very high94.2Very high6 Ų616.2 Ų16.24%0.03610%0.102CC..EExtended strand (participates in β ladder)trans-141.8138.2-179.1177.20000110.6G16 Y18 S312 P316 L331 S332G16-V314 PolarHBondContact N-O 3.18Å; G16-V314 PolarHBondContact O-N 2.97Å; Y18-V314 HydrophobicContact CD2-CB 3.94Å; Y18-V314 HydrophobicContact CD2-CG1 3.9Å; Y18-V314 HydrophobicContact CG-CG1 4.49Å; S312-V314 PolarHBondContact O-N 3.04Å; S312-V314 PolarHBondContact OG-O 2.96Å; V314-P316 HydrophobicContact CG1-CG 4.11Å; V314-L331 HydrophobicContact CG1-CD1 3.34Å; V314-L331 HydrophobicContact CG1-CG 3.93Å; V314-S332 CarbonylContact C-O 3.57Å; V314-S332 WeakPolarHBondContact CA-O 3.3Å
315F95.6Very high93.6Very high0 Ų019.3 Ų19.30%013%0.129CC..EExtended strand (participates in β ladder)trans-129.4101.8169.6-172.1-155.8000110.2H12 G14 A15 C292 I293 W308 H310 V317 S332H12-F315 HydrophobicContact CB-CD2 4.28Å; H12-F315 HydrophobicContact CB-CE2 3.41Å; H12-F315 VanDerWaalsContact CB-CE2 3.41Å; H12-F315 HydrophobicContact CB-CZ 3.75Å; H12-F315 AromaticContact CG-CE2 3.66Å; H12-F315 AromaticContact CG-CZ 3.91Å; H12-F315 AromaticContact ND1-CE2 3.82Å; G14-F315 VanDerWaalsContact C-CD2 3.45Å; G14-F315 WeakPolarHBondContact O-CD2 3.31Å; A15-F315 HydrophobicContact CB-CB 4.27Å; A15-F315 HydrophobicContact CB-CD2 3.68Å; A15-F315 HydrophobicContact CB-CE2 4.03Å; A15-F315 HydrophobicContact CB-CG 3.99Å; C292-F315 WeakPolarHBondContact O-CE1 3.33Å; I293-F315 HydrophobicContact CG2-CE1 3.85Å; I293-F315 HydrophobicContact CG2-CZ 3.78Å; W308-F315 HydrophobicContact CB-CE1 4.23Å; H310-F315 HydrophobicContact CB-CB 4.08Å; H310-F315 HydrophobicContact CB-CD1 3.8Å; H310-F315 HydrophobicContact CB-CE1 4.46Å; H310-F315 HydrophobicContact CB-CG 4.14Å; H310-F315 AromaticContact CD2-CD1 3.84Å; H310-F315 VanDerWaalsContact CG-CB 3.48Å; H310-F315 AromaticContact CG-CD1 3.89Å; F315-V317 HydrophobicContact CD1-CG2 3.84Å; F315-V317 HydrophobicContact CD2-CG2 4.17Å; F315-V317 HydrophobicContact CE1-CG2 3.93Å; F315-V317 HydrophobicContact CE2-CG2 4.3Å; F315-V317 HydrophobicContact CG-CG2 3.98Å; F315-V317 HydrophobicContact CZ-CG2 4.18Å; F315-V317 PolarHBondContact O-N 2.86Å; F315-S332 PolarHBondContact N-O 3.07Å; F315-S332 PolarHBondContact O-N 3.38Å; F315-S332 VanDerWaalsContact O-N 3.11Å
316P95.8Very high93.1Very high1 Ų127.7 Ų27.71%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-78.8119179.4-10.528.3000110.8H12 A13 G14 Y18 I26 V314 L331H12-P316 VanDerWaalsContact CA-O 3.3Å; H12-P316 WeakPolarHBondContact CA-O 3.26Å; A13-P316 HydrophobicContact CB-CB 4.29Å; A13-P316 HydrophobicContact CB-CG 4.41Å; A13-P316 PolarHBondContact N-O 2.97Å; G14-P316 WeakPolarHBondContact O-CD 3.37Å; Y18-P316 HydrophobicContact CD1-CG 4.46Å; Y18-P316 HydrophobicContact CD2-CG 4.09Å; Y18-P316 HydrophobicContact CE1-CG 4.07Å; Y18-P316 HydrophobicContact CE2-CG 3.68Å; Y18-P316 HydrophobicContact CG-CG 4.46Å; I26-P316 HydrophobicContact CG1-CB 4.24Å; I26-P316 HydrophobicContact CG1-CG 4.13Å; I26-P316 HydrophobicContact CG2-CB 3.84Å; I26-P316 HydrophobicContact CG2-CG 3.71Å; V314-P316 HydrophobicContact CG1-CG 4.11Å; P316-L331 HydrophobicContact CB-CD1 3.93Å; P316-L331 HydrophobicContact CG-CD1 4.01Å
317V96.7Very high92.8Very high4 Ų428.7 Ų28.72%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-130.2144.5-175.9174.40000109.3V11 H12 I293 F306 F315 V330V11-V317 WeakPolarHBondContact O-CA 3.31Å; H12-V317 HydrophobicContact CB-CG2 4.23Å; I293-V317 HydrophobicContact CG2-CG1 4.09Å; I293-V317 HydrophobicContact CG2-CG2 3.81Å; F306-V317 HydrophobicContact CE1-CG1 3.72Å; F306-V317 HydrophobicContact CZ-CG1 3.37Å; F315-V317 HydrophobicContact CD1-CG2 3.84Å; F315-V317 HydrophobicContact CD2-CG2 4.17Å; F315-V317 HydrophobicContact CE1-CG2 3.93Å; F315-V317 HydrophobicContact CE2-CG2 4.3Å; F315-V317 HydrophobicContact CG-CG2 3.98Å; F315-V317 HydrophobicContact CZ-CG2 4.18Å; F315-V317 PolarHBondContact O-N 2.86Å; V317-V330 HydrophobicContact CB-CB 4.29Å; V317-V330 PolarHBondContact N-O 2.79Å; V317-V330 PolarHBondContact O-N 2.98Å; V317-V330 VanDerWaalsContact O-O 3.04Å
318C97.2Very high92.6Very high0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-142.8138.7171.8-174.10000109.7A10 V11 C30 C34 K328A10-C318 CarbonylContact C-O 3.51Å; A10-C318 VanDerWaalsContact CA-O 3.25Å; A10-C318 WeakPolarHBondContact CA-O 3.39Å; V11-C318 HydrophobicContact CG2-CB 4Å; V11-C318 PolarHBondContact N-O 3.11Å; V11-C318 PolarHBondContact O-N 3.26Å; C30-C318 HydrophobicContact CB-CB 3.62Å; C34-C318 HydrophobicContact CB-CB 4.14Å; C318-K328 CarbonylContact C-O 3.52Å; C318-K328 VanDerWaalsContact CA-O 3.29Å; C318-K328 WeakPolarHBondContact CA-O 3.48Å; C318-K328 PolarHBondContact SG-O 2.97Å
319F97.4Very high92.3Very high8 Ų837 Ų374%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-133.1163177.675.5-83.3000111.9F8 V9 A10 C34 F306 T327 K328 V330 I345F8-F319 HydrophobicContact CE2-CB 4.08Å; F8-F319 AromaticContact CE2-CD2 3.83Å; F8-F319 HydrophobicContact CE2-CD2 3.83Å; F8-F319 HydrophobicContact CE2-CG 4.31Å; F8-F319 HydrophobicContact CZ-CB 3.79Å; F8-F319 HydrophobicContact CZ-CD2 4.36Å; F8-F319 HydrophobicContact CZ-CG 4.39Å; V9-F319 CarbonylContact O-C 3.56Å; V9-F319 WeakPolarHBondContact O-CA 3.26Å; A10-F319 HydrophobicContact CB-CB 3.74Å; C34-F319 WeakPolarHBondContact SG-CA 3.39Å; F306-F319 HydrophobicContact CD1-CB 4.01Å; F306-F319 AromaticContact CD1-CD1 3.75Å; F306-F319 HydrophobicContact CD1-CD1 3.75Å; F306-F319 HydrophobicContact CD1-CD2 4.49Å; F306-F319 HydrophobicContact CD1-CE1 4.36Å; F306-F319 AromaticContact CD1-CG 3.82Å; F306-F319 HydrophobicContact CD1-CG 3.82Å; F306-F319 HydrophobicContact CE1-CB 3.89Å; F306-F319 AromaticContact CE1-CD1 3.73Å; F306-F319 HydrophobicContact CE1-CD1 3.73Å; F306-F319 AromaticContact CE1-CG 4Å; F306-F319 HydrophobicContact CE1-CG 4Å; F306-F319 HydrophobicContact CZ-CB 4.34Å; F319-T327 CarbonylContact O-C 3.54Å; F319-T327 WeakPolarHBondContact O-CA 3.46Å; F319-K328 HydrophobicContact CD1-CB 3.99Å; F319-K328 HydrophobicContact CE1-CB 3.37Å; F319-K328 HydrophobicContact CE1-CG 4.27Å; F319-K328 HydrophobicContact CE2-CB 4.14Å; F319-K328 HydrophobicContact CE2-CG 4.32Å; F319-K328 HydrophobicContact CZ-CB 3.46Å; F319-K328 VanDerWaalsContact CZ-CB 3.46Å; F319-K328 HydrophobicContact CZ-CG 3.84Å; F319-K328 PolarHBondContact N-O 3.39Å; F319-K328 PolarHBondContact O-N 3.07Å; F319-V330 HydrophobicContact CE1-CG2 4.35Å; F319-I345 HydrophobicContact CD1-CD1 4.23Å; F319-I345 HydrophobicContact CE1-CD1 3.26Å; F319-I345 HydrophobicContact CE2-CG2 4.29Å; F319-I345 HydrophobicContact CZ-CB 4.47Å; F319-I345 HydrophobicContact CZ-CD1 3.58Å; F319-I345 HydrophobicContact CZ-CG2 3.87Å
320W96.5Very high91.8Very high21 Ų2138.2 Ų38.28%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-142.3140.2171.6176.395.1000107.8D7 F8 V9 C34 A38 L41 T42 K322 A325 T327D7-W320 HydrophobicContact CB-CH2 4.36Å; D7-W320 HydrophobicContact CB-CZ3 3.93Å; F8-W320 WeakPolarHBondContact CA-O 3.43Å; V9-W320 HydrophobicContact CG1-CB 3.96Å; V9-W320 HydrophobicContact CG1-CE3 4.19Å; V9-W320 PolarHBondContact N-O 3.3Å; V9-W320 PolarHBondContact O-N 3.08Å; C34-W320 PolarHBondContact SG-N 3.16Å; A38-W320 HydrophobicContact CB-CB 4.11Å; A38-W320 HydrophobicContact CB-CD2 3.4Å; A38-W320 HydrophobicContact CB-CE3 3.64Å; A38-W320 HydrophobicContact CB-CG 3.61Å; A38-W320 HydrophobicContact CB-CZ2 4.42Å; A38-W320 HydrophobicContact CB-CZ3 4.24Å; L41-W320 HydrophobicContact CD1-CZ3 4.3Å; T42-W320 HydrophobicContact CG2-CH2 3.58Å; T42-W320 HydrophobicContact CG2-CZ2 3.76Å; W320-K322 HydrophobicContact CH2-CB 4.1Å; W320-A325 VanDerWaalsContact NE1-C 3.33Å; W320-A325 PolarHBondContact NE1-O 3.35Å; W320-T327 HydrophobicContact CB-CG2 3.98Å; W320-T327 HydrophobicContact CG-CG2 4.49Å
321S94.6Very high91.6Very high6 Ų640.6 Ų40.64%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-131.8154.8167.9680000109.2D7 G323 V324 A325D7-S321 WeakPolarHBondContact O-CA 3.46Å; S321-G323 VanDerWaalsContact C-N 3.28Å; S321-G323 PolarHBondContact O-N 3.37Å; S321-V324 PolarHBondContact O-N 2.63Å; S321-V324 VanDerWaalsContact O-N 3.13Å; S321-V324 VanDerWaalsContact OG-CG2 3.3Å; S321-V324 WeakPolarHBondContact OG-CG2 3.5Å; S321-V324 PolarHBondContact OG-N 2.86Å; S321-A325 PolarHBondContact O-N 2.8Å
322K89.4Confident91.5Very high85 Ų8540.8 Ų40.837%0.3723%0.226SC..THydrogen-bonded Turntrans-55.2-43.3176.7-165.8169.3-176.9174.80112.4D5 D7 W320 V324 A325D5-K322 HydrophobicContact CB-CD 4.08Å; D5-K322 WeakPolarHBondContact OD1-CE 3.27Å; D5-K322 IonicContact OD1-NZ 3.56Å; D5-K322 PolarHBondContact OD1-NZ 2.92Å; D7-K322 HydrophobicContact CB-CB 4.26Å; D7-K322 PolarHBondContact O-N 3.44Å; D7-K322 IonicContact OD2-NZ 2.67Å; W320-K322 HydrophobicContact CH2-CB 4.1Å; K322-V324 VanDerWaalsContact C-N 3.3Å; K322-V324 PolarHBondContact O-N 3.17Å; K322-A325 PolarHBondContact O-N 2.9Å
323G83.6Confident91.6Very high68 Ų6846.2 Ų46.270%0.70125%0.246SC*.THydrogen-bonded Turntrans-63.8-28.4178.100000114.8S321S321-G323 VanDerWaalsContact C-N 3.28Å; S321-G323 PolarHBondContact O-N 3.37Å
324V80.5Confident91.7Very high58 Ų5845.6 Ų45.635%0.35224%0.238SC..THydrogen-bonded Turntrans-90.5-26.6177.8178.90000111.9S321 K322 R326 K328S321-V324 PolarHBondContact O-N 2.63Å; S321-V324 VanDerWaalsContact O-N 3.13Å; S321-V324 VanDerWaalsContact OG-CG2 3.3Å; S321-V324 WeakPolarHBondContact OG-CG2 3.5Å; S321-V324 PolarHBondContact OG-N 2.86Å; K322-V324 VanDerWaalsContact C-N 3.3Å; K322-V324 PolarHBondContact O-N 3.17Å; V324-R326 WeakPolarHBondContact CG1-O 3.26Å; V324-R326 PolarHBondContact O-N 3.03Å; V324-K328 HydrophobicContact CG1-CD 4.33Å; V324-K328 VanDerWaalsContact CG1-CE 3.49Å; V324-K328 HydrophobicContact CG1-CG 3.85Å
325A80.3Confident91.6Very high71 Ų7154.7 Ų54.759%0.58728%0.28SS*.  trans55.2-3.5-179.100000116.5W320 S321 K322W320-A325 VanDerWaalsContact NE1-C 3.33Å; W320-A325 PolarHBondContact NE1-O 3.35Å; S321-A325 PolarHBondContact O-N 2.8Å; K322-A325 PolarHBondContact O-N 2.9Å
326R86.1Confident91.4Very high191 Ų19158.8 Ų58.872%0.72130%0.302SS*.SBendtrans-129.3141.7178.4-66.4-175.8178.1-177.11.6110.2V324 K328V324-R326 WeakPolarHBondContact CG1-O 3.26Å; V324-R326 PolarHBondContact O-N 3.03Å; R326-K328 PolarHBondContact O-N 3.09Å
327T89.9Confident91Very high21 Ų2163 Ų6313%0.12932%0.323CS..  trans-64.7130.817340.60000110.9K31 C34 S35 F319 W320K31-T327 WeakPolarHBondContact CE-OG1 3.45Å; K31-T327 VanDerWaalsContact CG-OG1 3.25Å; K31-T327 WeakPolarHBondContact CG-OG1 2.93Å; C34-T327 HydrophobicContact CB-CG2 3.95Å; S35-T327 VanDerWaalsContact OG-CG2 3.31Å; S35-T327 WeakPolarHBondContact OG-CG2 3.33Å; F319-T327 CarbonylContact O-C 3.54Å; F319-T327 WeakPolarHBondContact O-CA 3.46Å; W320-T327 HydrophobicContact CB-CG2 3.98Å; W320-T327 HydrophobicContact CG-CG2 4.49Å
328K93Very high90.6Very high106 Ų10666.7 Ų66.746%0.46136%0.355SS..EExtended strand (participates in β ladder)trans-114.3139.9177.5-64.6-66.2-174.6167.90109.2C318 F319 V324 R326C318-K328 CarbonylContact C-O 3.52Å; C318-K328 VanDerWaalsContact CA-O 3.29Å; C318-K328 WeakPolarHBondContact CA-O 3.48Å; C318-K328 PolarHBondContact SG-O 2.97Å; F319-K328 HydrophobicContact CD1-CB 3.99Å; F319-K328 HydrophobicContact CE1-CB 3.37Å; F319-K328 HydrophobicContact CE1-CG 4.27Å; F319-K328 HydrophobicContact CE2-CB 4.14Å; F319-K328 HydrophobicContact CE2-CG 4.32Å; F319-K328 HydrophobicContact CZ-CB 3.46Å; F319-K328 VanDerWaalsContact CZ-CB 3.46Å; F319-K328 HydrophobicContact CZ-CG 3.84Å; F319-K328 PolarHBondContact N-O 3.39Å; F319-K328 PolarHBondContact O-N 3.07Å; V324-K328 HydrophobicContact CG1-CD 4.33Å; V324-K328 VanDerWaalsContact CG1-CE 3.49Å; V324-K328 HydrophobicContact CG1-CG 3.85Å; R326-K328 PolarHBondContact O-N 3.09Å
329Q91.1Very high90.4Very high92 Ų9269.3 Ų69.343%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-109.4138.9-175.1-63.7160.3-0.300108.8V27V27-Q329 HydrophobicContact CG1-CB 4.28Å; V27-Q329 HydrophobicContact CG1-CG 3.94Å
330V88.7Confident90.4Very high25 Ų2569 Ų6915%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-126.1112.8170.4-177.90000106.4W308 V317 F319 I345W308-V330 HydrophobicContact CD2-CG1 4.42Å; W308-V330 HydrophobicContact CH2-CG1 3.96Å; W308-V330 HydrophobicContact CH2-CG2 4.08Å; W308-V330 HydrophobicContact CZ2-CB 4.44Å; W308-V330 HydrophobicContact CZ2-CG1 3.41Å; W308-V330 VanDerWaalsContact CZ2-CG1 3.41Å; W308-V330 HydrophobicContact CZ2-CG2 4.39Å; W308-V330 HydrophobicContact CZ3-CG2 4.36Å; V317-V330 HydrophobicContact CB-CB 4.29Å; V317-V330 PolarHBondContact N-O 2.79Å; V317-V330 PolarHBondContact O-N 2.98Å; V317-V330 VanDerWaalsContact O-O 3.04Å; F319-V330 HydrophobicContact CE1-CG2 4.35Å; V330-I345 HydrophobicContact CG2-CD1 4.04Å
331L92.2Very high90.4Very high50 Ų5072.2 Ų72.226%0.26238%0.382SS..EExtended strand (participates in β ladder)trans-97.783.7167.5-16967.2000107.3Q23 V27 V314 P316 R333Q23-L331 HydrophobicContact CB-CD2 4.46Å; Q23-L331 HydrophobicContact CG-CD2 4.44Å; V27-L331 HydrophobicContact CG2-CD1 4.1Å; V314-L331 HydrophobicContact CG1-CD1 3.34Å; V314-L331 HydrophobicContact CG1-CG 3.93Å; P316-L331 HydrophobicContact CB-CD1 3.93Å; P316-L331 HydrophobicContact CG-CD1 4.01Å; L331-R333 VanDerWaalsContact CD2-NH2 3.34Å; L331-R333 PolarHBondContact O-N 2.94Å
332S94.9Very high90.5Very high8 Ų873 Ų736%0.05639%0.389CS..EExtended strand (participates in β ladder)trans-69.7130.5-178.1-171.10000109.4W308 H310 V314 F315W308-S332 PolarHBondContact NE1-OG 2.83Å; H310-S332 PolarHBondContact CD2-OG 3.47Å; H310-S332 VanDerWaalsContact NE2-CB 3.25Å; H310-S332 WeakPolarHBondContact NE2-CB 3.43Å; H310-S332 PolarHBondContact NE2-OG 3.09Å; V314-S332 CarbonylContact C-O 3.57Å; V314-S332 WeakPolarHBondContact CA-O 3.3Å; F315-S332 PolarHBondContact N-O 3.07Å; F315-S332 PolarHBondContact O-N 3.38Å; F315-S332 VanDerWaalsContact O-N 3.11Å
333R95.1Very high90.8Very high117 Ų11769.6 Ų69.644%0.44238%0.377SS..EExtended strand (participates in β ladder)trans-119.6130.3179.9-60.8-175-175.6-78.81.1109.7A313 L331 K341A313-R333 WeakPolarHBondContact O-CA 3.49Å; L331-R333 VanDerWaalsContact CD2-NH2 3.34Å; L331-R333 PolarHBondContact O-N 2.94Å; R333-K341 WeakPolarHBondContact O-CD 3.18Å; R333-K341 VanDerWaalsContact O-CE 3.27Å; R333-K341 WeakPolarHBondContact O-CE 3.49Å; R333-K341 PolarHBondContact O-NZ 3.34Å
334N94.5Very high91.3Very high20 Ų2068.2 Ų68.211%0.10736%0.357CS..  trans-117.4127.2174.5-169.15000109.8H310 S312 A313 D336 D339 K341H310-N334 PolarHBondContact O-ND2 3.09Å; S312-N334 VanDerWaalsContact O-CB 3.26Å; S312-N334 WeakPolarHBondContact O-CB 3.5Å; A313-N334 PolarHBondContact O-N 3.31Å; N334-D336 VanDerWaalsContact CG-O 3.23Å; N334-D336 PolarHBondContact ND2-O 2.98Å; N334-D336 PolarHBondContact OD1-N 2.91Å; N334-D336 PolarHBondContact OD1-O 3.26Å; N334-D339 PolarHBondContact ND2-O 3.04Å; N334-K341 HydrophobicContact CB-CB 3.99Å; N334-K341 HydrophobicContact CB-CD 4.23Å
335E90.7Very high91.9Very high197 Ų19768 Ų6892%0.92135%0.353SS*.SBendtrans-90.1-26.7178.8-65.2178.4-176.400111.3
336D91Very high91.9Very high86 Ų8668.3 Ų68.346%0.4635%0.35SS..  trans-104.697.3174.7-174.71.5000110.7N334 A338 D339N334-D336 VanDerWaalsContact CG-O 3.23Å; N334-D336 PolarHBondContact ND2-O 2.98Å; N334-D336 PolarHBondContact OD1-N 2.91Å; N334-D336 PolarHBondContact OD1-O 3.26Å; D336-A338 PolarHBondContact O-N 2.94Å; D336-A338 WeakPolarHBondContact OD1-CB 3.27Å; D336-A338 PolarHBondContact OD1-N 3.02Å; D336-D339 HydrophobicContact CB-CB 4.37Å; D336-D339 PolarHBondContact O-N 3.5Å; D336-D339 VanDerWaalsContact O-O 3.06Å
337L86.9Confident91.1Very high88 Ų8860 Ų6046%0.46132%0.322SS..THydrogen-bonded Turntrans-73.5-11.4179.4-52.8-175.3000113.3S312 A313 D339S312-L337 VanDerWaalsContact C-CD2 3.4Å; A313-L337 HydrophobicContact CB-CD2 4.38Å; A313-L337 VanDerWaalsContact N-CD2 3.3Å; L337-D339 VanDerWaalsContact C-N 3.31Å
338A88.3Confident89.6Confident83 Ų8369 Ų6969%0.68636%0.362SS*.THydrogen-bonded Turntrans-80.3-18.8172.400000111.8D336D336-A338 PolarHBondContact O-N 2.94Å; D336-A338 WeakPolarHBondContact OD1-CB 3.27Å; D336-A338 PolarHBondContact OD1-N 3.02Å
339D93.4Very high89.4Confident54 Ų5467.1 Ų67.129%0.28936%0.358SS..SBendtrans-111.6162.2179.3-156.732000113.2K271 N311 N334 D336 L337K271-D339 WeakPolarHBondContact CE-OD1 3.38Å; K271-D339 IonicContact NZ-OD1 2.82Å; K271-D339 PolarHBondContact NZ-OD1 3.24Å; K271-D339 IonicContact NZ-OD2 3.51Å; K271-D339 PolarHBondContact NZ-OD2 3.28Å; N311-D339 WeakPolarHBondContact CB-O 2.7Å; N334-D339 PolarHBondContact ND2-O 3.04Å; D336-D339 HydrophobicContact CB-CB 4.37Å; D336-D339 PolarHBondContact O-N 3.5Å; D336-D339 VanDerWaalsContact O-O 3.06Å; L337-D339 VanDerWaalsContact C-N 3.31Å
340V97Very high89.3Confident1 Ų165.8 Ų65.81%0.00635%0.354CS..  trans-93.9122176.1-178.80000109.2Q267 L270 K271 L275 A309Q267-V340 HydrophobicContact CG-CB 4.1Å; Q267-V340 HydrophobicContact CG-CG1 4.09Å; Q267-V340 PolarHBondContact NE2-O 3.46Å; L270-V340 HydrophobicContact CB-CG1 4.27Å; L270-V340 HydrophobicContact CB-CG2 4.04Å; L270-V340 HydrophobicContact CD1-CG1 4.12Å; K271-V340 HydrophobicContact CG-CB 4.19Å; K271-V340 HydrophobicContact CG-CG2 3.87Å; L275-V340 HydrophobicContact CD1-CG2 3.52Å; L275-V340 HydrophobicContact CG-CG2 4.29Å; A309-V340 HydrophobicContact CB-CG1 3.78Å
341K96.9Very high89.3Confident90 Ų9068.1 Ų68.139%0.39137%0.365SS..EExtended strand (participates in β ladder)trans-90.3133166.8179.9170.8-175.9154.70110A309 H310 R333 N334A309-K341 CarbonylContact C-O 3.59Å; A309-K341 WeakPolarHBondContact CA-O 3.38Å; H310-K341 PolarHBondContact N-O 3.24Å; H310-K341 PolarHBondContact O-N 2.95Å; R333-K341 WeakPolarHBondContact O-CD 3.18Å; R333-K341 VanDerWaalsContact O-CE 3.27Å; R333-K341 WeakPolarHBondContact O-CE 3.49Å; R333-K341 PolarHBondContact O-NZ 3.34Å; N334-K341 HydrophobicContact CB-CB 3.99Å; N334-K341 HydrophobicContact CB-CD 4.23Å
342A97.4Very high89.2Confident23 Ų2369.1 Ų69.119%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-121.8160.7174.700000112.4H263 Q267 W308 A309H263-A342 HydrophobicContact CB-CB 4.4Å; Q267-A342 HydrophobicContact CB-CB 3.82Å; Q267-A342 HydrophobicContact CG-CB 4.21Å; W308-A342 CarbonylContact O-C 3.48Å; W308-A342 WeakPolarHBondContact O-CA 3.49Å; A309-A342 HydrophobicContact CB-CB 3.92Å
343G95.6Very high88.8Confident12 Ų1272.9 Ų72.912%0.12439%0.391CS..EExtended strand (participates in β ladder)trans-151.7156.7172.800000111.7I307 W308I307-G343 WeakPolarHBondContact CA-O 3.48Å; I307-G343 WeakPolarHBondContact CG2-O 3.07Å; W308-G343 PolarHBondContact N-O 3.04Å; W308-G343 PolarHBondContact O-N 3.08Å
344C94.9Very high88.4Confident39 Ų3970 Ų7026%0.26439%0.387SS..EExtended strand (participates in β ladder)trans-133.6145.5179.6-165.60000110.6H263 F306H263-C344 HydrophobicContact CB-CB 3.89Å; F306-C344 CarbonylContact O-C 3.52Å; F306-C344 WeakPolarHBondContact O-CA 3.49Å
345I92Very high88Confident53 Ų5373.6 Ų73.627%0.27241%0.407SS..EExtended strand (participates in β ladder)trans-132.5120163.8-65.6170.5000107.3F306 W308 F319 V330F306-I345 PolarHBondContact N-O 3.08Å; F306-I345 PolarHBondContact O-N 3.04Å; W308-I345 HydrophobicContact CH2-CD1 3.9Å; W308-I345 HydrophobicContact CH2-CG1 3.9Å; W308-I345 HydrophobicContact CZ3-CD1 3.85Å; W308-I345 HydrophobicContact CZ3-CG1 3.82Å; F319-I345 HydrophobicContact CD1-CD1 4.23Å; F319-I345 HydrophobicContact CE1-CD1 3.26Å; F319-I345 HydrophobicContact CE2-CG2 4.29Å; F319-I345 HydrophobicContact CZ-CB 4.47Å; F319-I345 HydrophobicContact CZ-CD1 3.58Å; F319-I345 HydrophobicContact CZ-CG2 3.87Å; V330-I345 HydrophobicContact CG2-CD1 4.04Å
346C81.3Confident87.8Confident78 Ų7864.1 Ų64.153%0.52737%0.368SS..EExtended strand (participates in β ladder)trans-85.5135.5172.8-54.80000110L303L303-C346 HydrophobicContact CD1-CB 4.22Å
347A68.2Low87.5Confident16 Ų1662.3 Ų62.313%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-116.3124.4167.700000108.3L304L304-A347 HydrophobicContact CD2-CB 4.25Å; L304-A347 PolarHBondContact N-O 2.65Å; L304-A347 PolarHBondContact O-N 2.67Å; L304-A347 VanDerWaalsContact O-O 3.08Å
348Q58.1Low87.5Confident210 Ų21059.9 Ų59.998%0.98135%0.351SS*.  trans-82.40165-72.6-174.8-2500110L303L303-Q348 HydrophobicContact CD1-CG 4.49Å

Retrieved 348 of 348 residues in 307.6 ms (Link to these results)

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