A0A077ZEH3_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.6Low89.8Confident201 Ų20130.5 Ų30.599%0.9916%0.158SC*.  01310-113.5-170.4-75.800105.6T3M1-T3 PolarHBondContact O-N 3.49Å
2V72.2Confident90.1Very high18 Ų1831.7 Ų31.711%0.10916%0.162CC..  trans-60.5121.7179.4-165.30000108.9F209 H212 G214 L217V2-F209 HydrophobicContact CB-CD1 4.33Å; V2-F209 HydrophobicContact CB-CD2 4.42Å; V2-F209 HydrophobicContact CB-CE1 3.86Å; V2-F209 HydrophobicContact CB-CE2 3.96Å; V2-F209 HydrophobicContact CB-CZ 3.67Å; V2-F209 HydrophobicContact CG1-CD2 3.91Å; V2-F209 HydrophobicContact CG1-CE1 4.27Å; V2-F209 HydrophobicContact CG1-CE2 3.43Å; V2-F209 VanDerWaalsContact CG1-CE2 3.43Å; V2-F209 HydrophobicContact CG1-CZ 3.65Å; V2-F209 WeakPolarHBondContact CG2-O 3.44Å; V2-F209 WeakPolarHBondContact O-CZ 3.06Å; V2-H212 HydrophobicContact CG2-CB 3.86Å; V2-H212 WeakPolarHBondContact CG2-O 3.34Å; V2-G214 VanDerWaalsContact CA-O 3.25Å; V2-G214 WeakPolarHBondContact CA-O 3.18Å; V2-G214 WeakPolarHBondContact CG2-O 3.3Å; V2-L217 HydrophobicContact CG1-CB 3.99Å
3T85Confident90.3Very high71 Ų7129.5 Ų29.544%0.43615%0.152SC..  trans-100.1-33.8178.554.10000110.7M1 D215 E259M1-T3 PolarHBondContact O-N 3.49Å; T3-D215 PolarHBondContact N-O 3.29Å; T3-D215 PolarHBondContact OG1-O 3.04Å; T3-D215 VanDerWaalsContact OG1-O 3.12Å; T3-E259 WeakPolarHBondContact O-CA 3.41Å
4Q93.6Very high90.3Very high27 Ų2727.6 Ų27.613%0.12614%0.142CC..EExtended strand (participates in β ladder)trans-129.2137.2-170.4-73.4176.4-24.300112.2D215 V216 L217 M258 E259Q4-D215 PolarHBondContact N-O 3.24Å; Q4-V216 HydrophobicContact CB-CG2 4.25Å; Q4-V216 CarbonylContact O-C 3.57Å; Q4-V216 WeakPolarHBondContact O-CA 3.34Å; Q4-L217 PolarHBondContact O-N 3.15Å; Q4-M258 CarbonylContact C-O 3.11Å; Q4-M258 WeakPolarHBondContact CA-O 3.32Å; Q4-E259 HydrophobicContact CG-CG 3.67Å; Q4-E259 PolarHBondContact NE2-OE1 3.33Å
5L96.3Very high89.9Confident0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-104.8123.1166.5168.161.2000108.4V7 V205 F209 L217 L219 I229 L233 T257 M258 F265L5-V7 HydrophobicContact CD1-CG2 3.92Å; L5-V7 HydrophobicContact CD2-CG2 4.33Å; L5-V7 HydrophobicContact CG-CG2 3.95Å; L5-V205 HydrophobicContact CD1-CG1 4.12Å; L5-V205 HydrophobicContact CD2-CG1 3.59Å; L5-F209 HydrophobicContact CB-CD2 4.24Å; L5-F209 HydrophobicContact CB-CE2 4.13Å; L5-L217 HydrophobicContact CD1-CB 4.31Å; L5-L217 HydrophobicContact CD1-CD2 3.94Å; L5-L217 HydrophobicContact CD1-CG 3.98Å; L5-L219 HydrophobicContact CD1-CD1 3.65Å; L5-L219 HydrophobicContact CD1-CG 3.83Å; L5-I229 HydrophobicContact CD2-CG2 4.39Å; L5-L233 HydrophobicContact CD2-CD1 3.39Å; L5-T257 CarbonylContact O-C 3.57Å; L5-T257 WeakPolarHBondContact O-CA 3.43Å; L5-M258 HydrophobicContact CB-CB 4.39Å; L5-M258 HydrophobicContact CD2-CE 3.4Å; L5-M258 HydrophobicContact CG-CE 3.88Å; L5-M258 PolarHBondContact N-O 2.95Å; L5-M258 PolarHBondContact O-N 3.39Å; L5-F265 HydrophobicContact CB-CE1 4.23Å; L5-F265 HydrophobicContact CD2-CD1 4.39Å; L5-F265 HydrophobicContact CD2-CE1 4.19Å
6L96.9Very high89.1Confident0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans-115.5114.6177-172.868.5000109.7I8 L99 F106 V216 L217 L218 L219 C255 T257 L271L6-I8 HydrophobicContact CD2-CD1 4.08Å; L6-I8 HydrophobicContact CD2-CG1 4.48Å; L6-I8 HydrophobicContact CG-CD1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.21Å; L6-L99 HydrophobicContact CD2-CD2 4.06Å; L6-F106 HydrophobicContact CD2-CE2 4Å; L6-F106 HydrophobicContact CD2-CZ 3.48Å; L6-F106 VanDerWaalsContact CD2-CZ 3.48Å; L6-V216 HydrophobicContact CB-CG1 4.01Å; L6-L217 PolarHBondContact N-O 2.91Å; L6-L218 HydrophobicContact CB-CD1 4.49Å; L6-L218 HydrophobicContact CD2-CD1 3.96Å; L6-L218 HydrophobicContact CG-CD1 4.24Å; L6-L219 PolarHBondContact O-N 2.84Å; L6-C255 WeakPolarHBondContact CD1-SG 3.48Å; L6-T257 HydrophobicContact CD1-CG2 4.4Å; L6-T257 WeakPolarHBondContact CD1-OG1 3.47Å; L6-L271 HydrophobicContact CD1-CB 4.01Å; L6-L271 HydrophobicContact CD1-CD1 4.24Å; L6-L271 HydrophobicContact CD1-CG 4.35Å; L6-L271 HydrophobicContact CD2-CD1 4.38Å
7V97.4Very high87.6Confident0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112.5120.7177.6-167.60000109.2L5 L219 T221 L226 I229 C255 C256 M258L5-V7 HydrophobicContact CD1-CG2 3.92Å; L5-V7 HydrophobicContact CD2-CG2 4.33Å; L5-V7 HydrophobicContact CG-CG2 3.95Å; V7-L219 WeakPolarHBondContact CA-O 2.97Å; V7-L219 HydrophobicContact CG1-CB 4.37Å; V7-L219 HydrophobicContact CG2-CB 4.47Å; V7-L219 HydrophobicContact CG2-CD1 4.21Å; V7-T221 HydrophobicContact CG1-CG2 3.67Å; V7-L226 HydrophobicContact CG1-CB 4.43Å; V7-L226 HydrophobicContact CG1-CG 4.44Å; V7-I229 HydrophobicContact CG1-CD1 4.11Å; V7-I229 HydrophobicContact CG2-CG2 4.21Å; V7-C255 WeakPolarHBondContact O-CA 3.26Å; V7-C256 PolarHBondContact N-O 3Å; V7-C256 PolarHBondContact O-N 2.92Å; V7-M258 HydrophobicContact CG2-CE 4.05Å
8I97.5Very high86.6Confident0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-115.1130.8-179.4-61.5179.7000109.3L6 L129 L218 L219 V220 T221 L253 A254 C255 L272L6-I8 HydrophobicContact CD2-CD1 4.08Å; L6-I8 HydrophobicContact CD2-CG1 4.48Å; L6-I8 HydrophobicContact CG-CD1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.21Å; I8-L129 HydrophobicContact CD1-CD1 4.2Å; I8-L218 HydrophobicContact CD1-CD1 3.76Å; I8-L218 HydrophobicContact CG1-CD1 4.16Å; I8-L219 PolarHBondContact N-O 3.05Å; I8-V220 HydrophobicContact CB-CG2 4.43Å; I8-V220 WeakPolarHBondContact O-CA 3.21Å; I8-T221 PolarHBondContact O-N 3.44Å; I8-L253 HydrophobicContact CG2-CD2 3.87Å; I8-A254 WeakPolarHBondContact CA-O 3.35Å; I8-C255 HydrophobicContact CG1-CB 4.38Å; I8-L272 HydrophobicContact CD1-CD2 4.24Å
9R95.6Very high85.6Confident18 Ų1842.5 Ų42.57%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-69.5138.4167.9179.5179.6172.51587109.6T221 V250 P251 L253 A254R9-T221 CarbonylContact C-O 3.52Å; R9-T221 VanDerWaalsContact CA-O 3.29Å; R9-T221 WeakPolarHBondContact CA-O 3.27Å; R9-V250 PolarHBondContact NH1-O 2.93Å; R9-P251 WeakPolarHBondContact CD-O 3.28Å; R9-L253 VanDerWaalsContact O-CA 3.24Å; R9-L253 WeakPolarHBondContact O-CA 3.42Å; R9-L253 PolarHBondContact O-N 3.4Å; R9-A254 HydrophobicContact CB-CB 4.43Å; R9-A254 PolarHBondContact N-O 3.24Å
10A95.8Very high84.7Confident0 Ų043.9 Ų43.90%024%0.239CC..  trans-47.814617200000112.7T221 L253A10-T221 PolarHBondContact N-O 2.93Å; A10-L253 PolarHBondContact O-N 3.4Å
11A95.9Very high83.9Confident1 Ų145.6 Ų45.61%0.00825%0.248CC..  trans-68.1178174.800000112S13 L84 G88 C92 T125 L253A11-S13 PolarHBondContact O-N 3.43Å; A11-L84 HydrophobicContact CB-CD1 4.45Å; A11-L84 HydrophobicContact CB-CD2 3.87Å; A11-G88 WeakPolarHBondContact CB-O 3.15Å; A11-C92 WeakPolarHBondContact CB-SG 3.25Å; A11-T125 HydrophobicContact CB-CG2 4.4Å; A11-T125 PolarHBondContact N-OG1 3.44Å; A11-L253 HydrophobicContact CB-CD1 4.24Å; A11-L253 HydrophobicContact CB-CD2 4Å; A11-L253 HydrophobicContact CB-CG 3.95Å
12E93.4Very high84.9Confident44 Ų4438.7 Ų38.721%0.20622%0.218CC..  trans-60.6130.6-179.5-171.9174.7-133.600111.9R16 L84 T85 Y87 K252E12-R16 IonicContact OE1-CZ 2.93Å; E12-R16 IonicContact OE1-NH1 2.82Å; E12-R16 PolarHBondContact OE1-NH1 3.28Å; E12-L84 WeakPolarHBondContact O-CA 3.33Å; E12-L84 WeakPolarHBondContact O-CD2 3.26Å; E12-T85 HydrophobicContact CG-CG2 4.03Å; E12-T85 PolarHBondContact O-N 3.34Å; E12-T85 PolarHBondContact O-OG1 2.98Å; E12-T85 PolarHBondContact OE2-OG1 3.12Å; E12-Y87 WeakPolarHBondContact OE2-CB 3.41Å; E12-K252 HydrophobicContact CB-CG 4.28Å
13S92.8Very high85.5Confident4 Ų438.4 Ų38.43%0.02822%0.215CC..BIsolated β-bridgetrans-115.4165.1-178.742.70000109.7A11 D15 P83 T85 K252A11-S13 PolarHBondContact O-N 3.43Å; S13-D15 PolarHBondContact O-N 3.02Å; S13-D15 PolarHBondContact OG-OD1 3.45Å; S13-D15 PolarHBondContact OG-OD2 3.5Å; S13-P83 CarbonylContact C-O 3.53Å; S13-P83 VanDerWaalsContact CA-O 3.28Å; S13-P83 WeakPolarHBondContact CA-O 3.34Å; S13-T85 WeakPolarHBondContact O-CG2 3.12Å; S13-K252 PolarHBondContact OG-NZ 3.19Å; S13-K252 VanDerWaalsContact OG-NZ 3.17Å
14C90.5Very high85.6Confident3 Ų335.6 Ų35.62%0.0220%0.197CC..SBendtrans-70.912179-54.40000112.7R16 W23 L64 P82 P83C14-R16 PolarHBondContact O-N 2.7Å; C14-W23 HydrophobicContact CB-CD2 3.56Å; C14-W23 HydrophobicContact CB-CE3 3.64Å; C14-W23 HydrophobicContact CB-CG 4.19Å; C14-W23 HydrophobicContact CB-CH2 3.96Å; C14-W23 HydrophobicContact CB-CZ2 3.86Å; C14-W23 HydrophobicContact CB-CZ3 3.87Å; C14-W23 PolarHBondContact O-NE1 3.29Å; C14-L64 HydrophobicContact CB-CD2 3.94Å; C14-P82 HydrophobicContact CB-CB 4.26Å; C14-P83 PolarHBondContact N-O 2.99Å; C14-P83 PolarHBondContact SG-O 2.94Å
15D84.4Confident85.2Confident72 Ų7241 Ų4139%0.38522%0.217SC..  trans-68.51.8-170.659.3-33.7000115.4S13 P82 K252S13-D15 PolarHBondContact O-N 3.02Å; S13-D15 PolarHBondContact OG-OD1 3.45Å; S13-D15 PolarHBondContact OG-OD2 3.5Å; D15-P82 HydrophobicContact CB-CB 4.47Å; D15-P82 HydrophobicContact CB-CG 3.68Å; D15-K252 IonicContact OD1-NZ 2.64Å; D15-K252 PolarHBondContact OD1-NZ 3.29Å; D15-K252 IonicContact OD2-NZ 3.02Å; D15-K252 PolarHBondContact OD2-NZ 3.18Å
16R76.2Confident84.6Confident129 Ų12942 Ų4249%0.48722%0.223SC..SBendtrans-99.4132.9-178.9-68-173179.7151.45.3111.4E12 C14E12-R16 IonicContact OE1-CZ 2.93Å; E12-R16 IonicContact OE1-NH1 2.82Å; E12-R16 PolarHBondContact OE1-NH1 3.28Å; C14-R16 PolarHBondContact O-N 2.7Å
17P64.4Low84.1Confident91 Ų9142.5 Ų42.559%0.59122%0.224SC*.  trans-57.7140.6166.1-20.431.6000110.6L21P17-L21 CarbonylContact C-O 3.59Å; P17-L21 VanDerWaalsContact CA-O 3.28Å; P17-L21 WeakPolarHBondContact CA-O 3.25Å
18I69.5Low83.5Confident21 Ų2147.6 Ų47.611%0.10824%0.244CC..BIsolated β-bridgetrans-106.4116.4173.9-64.6167000106.3G20 L21 W23 L26 P58 D61 L64I18-G20 PolarHBondContact O-N 3.22Å; I18-L21 PolarHBondContact N-O 3.31Å; I18-L21 PolarHBondContact O-N 3.14Å; I18-W23 HydrophobicContact CD1-CB 4.24Å; I18-L26 HydrophobicContact CD1-CD1 3.53Å; I18-P58 HydrophobicContact CG2-CB 4.25Å; I18-D61 HydrophobicContact CD1-CB 3.72Å; I18-D61 HydrophobicContact CG1-CB 4.47Å; I18-L64 HydrophobicContact CD1-CD1 3.38Å; I18-L64 HydrophobicContact CD1-CD2 4.3Å; I18-L64 HydrophobicContact CD1-CG 3.95Å
19E66.7Low82.9Confident108 Ų10853.1 Ų53.151%0.50528%0.28SS..THydrogen-bonded Turntrans50.941.2-176.3-60.3175.1-151.100112.9L21 P58 A59E19-L21 PolarHBondContact O-N 3.37Å; E19-P58 HydrophobicContact CB-CB 3.93Å; E19-P58 VanDerWaalsContact CD-CA 3.48Å; E19-P58 HydrophobicContact CG-CB 4.14Å; E19-P58 WeakPolarHBondContact OE1-CA 3.35Å; E19-P58 WeakPolarHBondContact OE2-CA 3.37Å; E19-P58 WeakPolarHBondContact OE2-CB 3.22Å; E19-A59 PolarHBondContact OE1-N 2.72Å
20G69.1Low82.4Confident70 Ų7055.8 Ų55.872%0.72230%0.295SS*.THydrogen-bonded Turntrans75.9-4.5-179.700000115.2I18I18-G20 PolarHBondContact O-N 3.22Å
21L68Low81.9Confident80 Ų8055.9 Ų55.942%0.41930%0.297SS..BIsolated β-bridgetrans-93.4143.1175.7-71.6167.1000111.5P17 I18 E19 W23 P58P17-L21 CarbonylContact C-O 3.59Å; P17-L21 VanDerWaalsContact CA-O 3.28Å; P17-L21 WeakPolarHBondContact CA-O 3.25Å; I18-L21 PolarHBondContact N-O 3.31Å; I18-L21 PolarHBondContact O-N 3.14Å; E19-L21 PolarHBondContact O-N 3.37Å; L21-W23 PolarHBondContact O-N 3.04Å; L21-P58 HydrophobicContact CD1-CB 4.34Å; L21-P58 HydrophobicContact CD1-CG 3.64Å
22P81.6Confident81.4Confident55 Ų5556.9 Ų56.936%0.35730%0.301SS..  trans-56.7123.2168.9-23.934.1000110.1I24 Y25P22-I24 HydrophobicContact CB-CG2 4.12Å; P22-I24 PolarHBondContact O-N 3.24Å; P22-Y25 HydrophobicContact CB-CD2 4.44Å; P22-Y25 HydrophobicContact CB-CG 4.46Å; P22-Y25 HydrophobicContact CG-CD2 4.29Å; P22-Y25 HydrophobicContact CG-CE2 4.06Å; P22-Y25 WeakPolarHBondContact O-CB 3.43Å; P22-Y25 PolarHBondContact O-N 2.84Å
23W85.9Confident81Confident13 Ų1355.7 Ų55.75%0.04930%0.296CS..G310 helixtrans-51.9-31.2-177.869.7-88.5000113.3C14 I18 L21 Y25 L26 Y27 L68 F78 P82 P83C14-W23 HydrophobicContact CB-CD2 3.56Å; C14-W23 HydrophobicContact CB-CE3 3.64Å; C14-W23 HydrophobicContact CB-CG 4.19Å; C14-W23 HydrophobicContact CB-CH2 3.96Å; C14-W23 HydrophobicContact CB-CZ2 3.86Å; C14-W23 HydrophobicContact CB-CZ3 3.87Å; C14-W23 PolarHBondContact O-NE1 3.29Å; I18-W23 HydrophobicContact CD1-CB 4.24Å; L21-W23 PolarHBondContact O-N 3.04Å; W23-Y25 PolarHBondContact O-N 3.09Å; W23-L26 VanDerWaalsContact O-CB 3.32Å; W23-L26 WeakPolarHBondContact O-CB 3.47Å; W23-L26 WeakPolarHBondContact O-CG 3.43Å; W23-L26 PolarHBondContact O-N 3.5Å; W23-L26 VanDerWaalsContact O-N 3.14Å; W23-Y27 HydrophobicContact CE3-CD2 4.21Å; W23-Y27 AromaticContact CE3-CE2 3.65Å; W23-Y27 HydrophobicContact CE3-CE2 3.65Å; W23-Y27 HydrophobicContact CZ3-CD2 4.08Å; W23-Y27 AromaticContact CZ3-CE2 3.59Å; W23-Y27 HydrophobicContact CZ3-CE2 3.59Å; W23-L68 HydrophobicContact CH2-CD1 4.35Å; W23-L68 HydrophobicContact CH2-CD2 3.8Å; W23-L68 HydrophobicContact CZ3-CD1 4.16Å; W23-L68 HydrophobicContact CZ3-CD2 3.58Å; W23-L68 HydrophobicContact CZ3-CG 4.48Å; W23-F78 HydrophobicContact CH2-CB 3.75Å; W23-F78 HydrophobicContact CH2-CG 4.38Å; W23-F78 HydrophobicContact CZ2-CB 3.78Å; W23-F78 WeakPolarHBondContact CZ2-O 3.38Å; W23-P82 HydrophobicContact CZ2-CB 3.73Å; W23-P83 HydrophobicContact CH2-CG 4.2Å
24I86.7Confident80.3Confident12 Ų1258.7 Ų58.76%0.06231%0.309CS..G310 helixtrans-63.5-23.6-179.2-165.961000112.5P22 L26 Y27 L68 L75 F78 I79P22-I24 HydrophobicContact CB-CG2 4.12Å; P22-I24 PolarHBondContact O-N 3.24Å; I24-L26 PolarHBondContact O-N 3.49Å; I24-Y27 PolarHBondContact O-N 3.48Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; I24-L68 HydrophobicContact CD1-CD1 3.51Å; I24-L75 HydrophobicContact CD1-CB 4.49Å; I24-F78 HydrophobicContact CD1-CB 4.01Å; I24-F78 HydrophobicContact CD1-CD2 4.43Å; I24-I79 HydrophobicContact CB-CG1 4.38Å; I24-I79 HydrophobicContact CG2-CD1 4.05Å; I24-I79 HydrophobicContact CG2-CG1 3.79Å
25Y84.8Confident79.3Confident140 Ų14065.9 Ų65.955%0.54934%0.335SS..G310 helixtrans-70.9-9.1178.1-69.5-4.5000113.6P22 W23 Y27 K34P22-Y25 HydrophobicContact CB-CD2 4.44Å; P22-Y25 HydrophobicContact CB-CG 4.46Å; P22-Y25 HydrophobicContact CG-CD2 4.29Å; P22-Y25 HydrophobicContact CG-CE2 4.06Å; P22-Y25 WeakPolarHBondContact O-CB 3.43Å; P22-Y25 PolarHBondContact O-N 2.84Å; W23-Y25 PolarHBondContact O-N 3.09Å; Y25-Y27 PolarHBondContact O-N 2.57Å; Y25-K34 VanDerWaalsContact O-CE 3.29Å; Y25-K34 WeakPolarHBondContact O-CE 3.21Å; Y25-K34 PolarHBondContact O-NZ 3.48Å
26L84.3Confident77.8Confident21 Ų2165.8 Ų65.811%0.1134%0.338CS..G310 helixtrans-78.9-0.6172-60.6176.7000113.3I18 W23 I24 M33 K34 P58 L64I18-L26 HydrophobicContact CD1-CD1 3.53Å; W23-L26 VanDerWaalsContact O-CB 3.32Å; W23-L26 WeakPolarHBondContact O-CB 3.47Å; W23-L26 WeakPolarHBondContact O-CG 3.43Å; W23-L26 PolarHBondContact O-N 3.5Å; W23-L26 VanDerWaalsContact O-N 3.14Å; I24-L26 PolarHBondContact O-N 3.49Å; L26-M33 WeakPolarHBondContact O-CA 3.43Å; L26-K34 WeakPolarHBondContact O-CG 3.36Å; L26-K34 PolarHBondContact O-N 3.33Å; L26-P58 HydrophobicContact CD2-CG 3.93Å; L26-L64 HydrophobicContact CD1-CD1 3.48Å; L26-L64 VanDerWaalsContact CD1-CD1 3.48Å
27Y86.4Confident76.2Confident10 Ų1067.7 Ų67.74%0.03935%0.345CS..BIsolated β-bridgetrans-115.4145.2-176.9-64.8-93.7000112.8W23 I24 Y25 G31 M33 K34 L64 P65 L68W23-Y27 HydrophobicContact CE3-CD2 4.21Å; W23-Y27 AromaticContact CE3-CE2 3.65Å; W23-Y27 HydrophobicContact CE3-CE2 3.65Å; W23-Y27 HydrophobicContact CZ3-CD2 4.08Å; W23-Y27 AromaticContact CZ3-CE2 3.59Å; W23-Y27 HydrophobicContact CZ3-CE2 3.59Å; I24-Y27 PolarHBondContact O-N 3.48Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; Y25-Y27 PolarHBondContact O-N 2.57Å; Y27-G31 WeakPolarHBondContact CD1-O 3.37Å; Y27-M33 HydrophobicContact CD1-CB 4.02Å; Y27-M33 HydrophobicContact CE1-CB 3.83Å; Y27-M33 HydrophobicContact CE1-CG 4.46Å; Y27-K34 VanDerWaalsContact O-CE 3.26Å; Y27-K34 WeakPolarHBondContact O-CE 3.41Å; Y27-L64 HydrophobicContact CE2-CD1 4.26Å; Y27-L64 WeakPolarHBondContact OH-CB 3.47Å; Y27-P65 WeakPolarHBondContact CE1-O 3.46Å; Y27-P65 VanDerWaalsContact OH-CD 3.27Å; Y27-P65 WeakPolarHBondContact OH-CD 3.24Å; Y27-P65 WeakPolarHBondContact OH-CG 3.47Å; Y27-P65 PolarHBondContact OH-O 3.11Å; Y27-L68 HydrophobicContact CD1-CD1 3.72Å; Y27-L68 HydrophobicContact CD1-CD2 4.36Å; Y27-L68 HydrophobicContact CD1-CG 3.59Å; Y27-L68 HydrophobicContact CD2-CD1 3.95Å; Y27-L68 HydrophobicContact CD2-CG 4.4Å; Y27-L68 HydrophobicContact CE1-CD1 4.09Å; Y27-L68 HydrophobicContact CE1-CD2 3.87Å; Y27-L68 HydrophobicContact CE1-CG 3.53Å; Y27-L68 HydrophobicContact CE2-CD1 4.34Å; Y27-L68 HydrophobicContact CE2-CD2 4.26Å; Y27-L68 HydrophobicContact CE2-CG 4.4Å; Y27-L68 HydrophobicContact CG-CD1 3.61Å; Y27-L68 HydrophobicContact CG-CG 4.01Å
28W84.8Confident74.8Confident107 Ų10773.1 Ų73.141%0.40535%0.354SS..  trans-74.5160.2166.4-72.6124.8000110.8D30 G31 L32 K34 L75W28-D30 WeakPolarHBondContact CB-OD1 3.27Å; W28-D30 PolarHBondContact O-N 3.4Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 3.1Å; W28-L32 PolarHBondContact N-O 2.95Å; W28-K34 HydrophobicContact CD2-CD 4.41Å; W28-K34 HydrophobicContact CD2-CG 3.73Å; W28-K34 HydrophobicContact CE3-CD 4.47Å; W28-K34 HydrophobicContact CE3-CG 4.25Å; W28-K34 HydrophobicContact CG-CG 3.96Å; W28-K34 HydrophobicContact CH2-CD 4.39Å; W28-K34 HydrophobicContact CH2-CG 4.5Å; W28-K34 HydrophobicContact CZ2-CB 4.27Å; W28-K34 HydrophobicContact CZ2-CD 4.33Å; W28-K34 HydrophobicContact CZ2-CG 4.01Å; W28-K34 HydrophobicContact CZ3-CD 4.47Å; W28-K34 PolarHBondContact NE1-O 2.83Å; W28-L75 WeakPolarHBondContact O-CD1 3.49Å
29P84Confident73.2Confident116 Ų11673.8 Ų73.875%0.75336%0.359SS*.THydrogen-bonded Turntrans-53.9-22.7175.4-2936.6000115.6G31 L75P29-G31 PolarHBondContact O-N 3.37Å; P29-L75 WeakPolarHBondContact O-CD1 3.38Å
30D84.3Confident71.9Confident74 Ų7473.7 Ų73.740%0.39637%0.366SS..THydrogen-bonded Turntrans-82.52.8175.569.7-6.2000113.7W28 L32W28-D30 WeakPolarHBondContact CB-OD1 3.27Å; W28-D30 PolarHBondContact O-N 3.4Å; D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 PolarHBondContact O-N 3.18Å; D30-L32 VanDerWaalsContact OD1-CB 3.26Å; D30-L32 WeakPolarHBondContact OD1-CB 3.45Å; D30-L32 PolarHBondContact OD1-N 3.16Å
31G86.6Confident70.4Confident3 Ų377.1 Ų77.13%0.03136%0.363CS..SBendtrans79.32.3-17900000114.1Y27 W28 P29 R67 L68Y27-G31 WeakPolarHBondContact CD1-O 3.37Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 3.1Å; P29-G31 PolarHBondContact O-N 3.37Å; G31-R67 CarbonylContact O-C 3.56Å; G31-R67 VanDerWaalsContact O-CA 3.3Å; G31-R67 WeakPolarHBondContact O-CA 3.38Å; G31-L68 PolarHBondContact O-N 3.12Å
32L85.8Confident69Low21 Ų2176.3 Ų76.311%0.1137%0.368CS..BIsolated β-bridgetrans-80.3134.9175.1-167.871.8000110.3W28 D30 K34 V36 R37 R67W28-L32 PolarHBondContact N-O 2.95Å; D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 PolarHBondContact O-N 3.18Å; D30-L32 VanDerWaalsContact OD1-CB 3.26Å; D30-L32 WeakPolarHBondContact OD1-CB 3.45Å; D30-L32 PolarHBondContact OD1-N 3.16Å; L32-K34 PolarHBondContact O-N 2.85Å; L32-V36 HydrophobicContact CD1-CB 4.04Å; L32-V36 HydrophobicContact CD1-CG1 3.96Å; L32-V36 HydrophobicContact CD2-CB 4.16Å; L32-V36 HydrophobicContact CD2-CG1 4.42Å; L32-V36 HydrophobicContact CG-CB 3.99Å; L32-V36 HydrophobicContact CG-CG1 4.39Å; L32-R37 HydrophobicContact CD2-CG 4.1Å; L32-R67 HydrophobicContact CD1-CB 4.36Å
33M84.4Confident67.2Low20 Ų2076.8 Ų76.810%0.09937%0.367CS..BIsolated β-bridgetrans-62.9134.9174.5-174.2173.463.900110.3L26 Y27 R35 V36 I60 L64 A66L26-M33 WeakPolarHBondContact O-CA 3.43Å; Y27-M33 HydrophobicContact CD1-CB 4.02Å; Y27-M33 HydrophobicContact CE1-CB 3.83Å; Y27-M33 HydrophobicContact CE1-CG 4.46Å; M33-R35 PolarHBondContact O-N 2.93Å; M33-V36 HydrophobicContact CB-CG2 3.99Å; M33-V36 HydrophobicContact CE-CG2 3.87Å; M33-V36 PolarHBondContact O-N 2.86Å; M33-I60 HydrophobicContact CE-CG2 3.59Å; M33-I60 HydrophobicContact SD-CG2 3.53Å; M33-I60 VanDerWaalsContact SD-CG2 3.53Å; M33-L64 HydrophobicContact SD-CB 4.45Å; M33-A66 WeakPolarHBondContact CB-O 3.35Å; M33-A66 PolarHBondContact N-O 2.97Å
34K78.1Confident65.4Low66 Ų6686.6 Ų86.629%0.28741%0.41SS..THydrogen-bonded Turntrans-57.2-27.6-160.5-76.2-179.5173.8167.50115.7Y25 L26 Y27 W28 L32Y25-K34 VanDerWaalsContact O-CE 3.29Å; Y25-K34 WeakPolarHBondContact O-CE 3.21Å; Y25-K34 PolarHBondContact O-NZ 3.48Å; L26-K34 WeakPolarHBondContact O-CG 3.36Å; L26-K34 PolarHBondContact O-N 3.33Å; Y27-K34 VanDerWaalsContact O-CE 3.26Å; Y27-K34 WeakPolarHBondContact O-CE 3.41Å; W28-K34 HydrophobicContact CD2-CD 4.41Å; W28-K34 HydrophobicContact CD2-CG 3.73Å; W28-K34 HydrophobicContact CE3-CD 4.47Å; W28-K34 HydrophobicContact CE3-CG 4.25Å; W28-K34 HydrophobicContact CG-CG 3.96Å; W28-K34 HydrophobicContact CH2-CD 4.39Å; W28-K34 HydrophobicContact CH2-CG 4.5Å; W28-K34 HydrophobicContact CZ2-CB 4.27Å; W28-K34 HydrophobicContact CZ2-CD 4.33Å; W28-K34 HydrophobicContact CZ2-CG 4.01Å; W28-K34 HydrophobicContact CZ3-CD 4.47Å; W28-K34 PolarHBondContact NE1-O 2.83Å; L32-K34 PolarHBondContact O-N 2.85Å
35R68.2Low63.7Low154 Ų15493.3 Ų93.358%0.58145%0.446SS*.THydrogen-bonded Turntrans-94.2-4.5-179.3-117.4-176.2179.9-169.45.9114.9M33 R37 I53 I60M33-R35 PolarHBondContact O-N 2.93Å; R35-R37 PolarHBondContact O-N 2.87Å; R35-I53 HydrophobicContact CG-CD1 4.01Å; R35-I60 HydrophobicContact CB-CD1 3.51Å; R35-I60 HydrophobicContact CB-CG1 4.19Å; R35-I60 HydrophobicContact CG-CD1 3.93Å
36V54.1Low61.8Low71 Ų7189.2 Ų89.243%0.4345%0.446SS..SBendtrans-73-15.8176.1-174.90000111L32 M33 W38 A66L32-V36 HydrophobicContact CD1-CB 4.04Å; L32-V36 HydrophobicContact CD1-CG1 3.96Å; L32-V36 HydrophobicContact CD2-CB 4.16Å; L32-V36 HydrophobicContact CD2-CG1 4.42Å; L32-V36 HydrophobicContact CG-CB 3.99Å; L32-V36 HydrophobicContact CG-CG1 4.39Å; M33-V36 HydrophobicContact CB-CG2 3.99Å; M33-V36 HydrophobicContact CE-CG2 3.87Å; M33-V36 PolarHBondContact O-N 2.86Å; V36-W38 PolarHBondContact O-N 3.24Å; V36-A66 HydrophobicContact CG2-CB 4.29Å
37R41.9Very low59.6Low169 Ų16997.5 Ų97.564%0.63848%0.476SS*.SBendtrans-87.298.8158.8-90.9-177.6171.9177.1-0.8109.2L32 R35 P39L32-R37 HydrophobicContact CD2-CG 4.1Å; R35-R37 PolarHBondContact O-N 2.87Å; R37-P39 WeakPolarHBondContact O-CD 3.32Å
38W35.5Very low57.6Low205 Ų205102.3 Ų102.378%0.77750%0.501SS*.  trans-59.5124.5149.8-75.489.6000106.9V36 V40V36-W38 PolarHBondContact O-N 3.24Å; W38-V40 HydrophobicContact CB-CG2 4.48Å; W38-V40 PolarHBondContact O-N 3.09Å
39P36.4Very low55.3Low34 Ų34106.1 Ų106.122%0.22152%0.515CS..  trans-72.789.3171.713-1.4000107.1R37 H41 F51R37-P39 WeakPolarHBondContact O-CD 3.32Å; P39-H41 PolarHBondContact O-N 3.29Å; P39-F51 HydrophobicContact CB-CD2 4.19Å; P39-F51 HydrophobicContact CG-CB 3.84Å; P39-F51 HydrophobicContact CG-CD2 4.39Å
40V39.3Very low53.2Low106 Ų106104.4 Ų104.464%0.64250%0.503SS*.  trans-85.969.6154-132.30000105.9W38 I48W38-V40 HydrophobicContact CB-CG2 4.48Å; W38-V40 PolarHBondContact O-N 3.09Å; V40-I48 HydrophobicContact CG1-CD1 4.32Å; V40-I48 HydrophobicContact CG1-CG1 4.37Å; V40-I48 HydrophobicContact CG1-CG2 4.39Å
41H38Very low51Low143 Ų143108.5 Ų108.566%0.66252%0.518SS*.  trans-98100.5158.7-88.1-37.8000107P39 N43 R49P39-H41 PolarHBondContact O-N 3.29Å; H41-N43 PolarHBondContact O-N 3.3Å; H41-R49 PolarHBondContact O-N 2.95Å
42A37.6Very low48.8Very low63 Ų63114.3 Ų114.352%0.52154%0.544SS..BIsolated β-bridgetrans-67.9117.7157.800000106.3
43N44Very low46.7Very low64 Ų64116.6 Ų116.634%0.34256%0.556SS.*  trans-65.3172.4165.24719.9000109.6H41 L45 G46 R47H41-N43 PolarHBondContact O-N 3.3Å; N43-L45 PolarHBondContact O-N 3.02Å; N43-G46 PolarHBondContact O-N 3.29Å; N43-R47 PolarHBondContact N-O 3.08Å; N43-R47 WeakPolarHBondContact OD1-CA 3.39Å; N43-R47 WeakPolarHBondContact OD1-CB 3.27Å; N43-R47 PolarHBondContact OD1-N 3.38Å; N43-R47 PolarHBondContact OD1-O 3.43Å
44F47.3Very low44.5Very low219 Ų219123.4 Ų123.496%0.96158%0.584SS**THydrogen-bonded Turntrans-54.2-11.8-176.8-168.5-97.3000114.6
45L52.5Low42.6Very low154 Ų154128.6 Ų128.681%0.80661%0.607SS**THydrogen-bonded Turntrans-1047.2177.2-71.9164.3000114.4N43 R47N43-L45 PolarHBondContact O-N 3.02Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.03Å
46G44.2Very low41.4Very low54 Ų54126 Ų12656%0.55761%0.613SS**  trans766.717800000115.7N43N43-G46 PolarHBondContact O-N 3.29Å
47R39.1Very low40.9Very low194 Ų194127 Ų12773%0.73261%0.613SS**  trans-82.7119.9175.7-77.4-174.7-179.7-174.70.4110.3N43 L45 R49N43-R47 PolarHBondContact N-O 3.08Å; N43-R47 WeakPolarHBondContact OD1-CA 3.39Å; N43-R47 WeakPolarHBondContact OD1-CB 3.27Å; N43-R47 PolarHBondContact OD1-N 3.38Å; N43-R47 PolarHBondContact OD1-O 3.43Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.03Å; R47-R49 PolarHBondContact O-N 2.87Å
48I43.2Very low41.4Very low112 Ų112119.5 Ų119.557%0.57459%0.586SS**BIsolated β-bridgetrans-67.8110.8171-59.9173.2000107.4V40V40-I48 HydrophobicContact CG1-CD1 4.32Å; V40-I48 HydrophobicContact CG1-CG1 4.37Å; V40-I48 HydrophobicContact CG1-CG2 4.39Å
49R36.9Very low42.4Very low186 Ų186110.2 Ų110.270%0.70255%0.553SS**  trans-94.9104.4165.9-86.6-170171.2-176.2-3.5108.8H41 R47 F51H41-R49 PolarHBondContact O-N 2.95Å; R47-R49 PolarHBondContact O-N 2.87Å; R49-F51 PolarHBondContact O-N 3.4Å
50T39.3Very low43.8Very low81 Ų81111.2 Ų111.250%0.49756%0.556SS.*  trans-68109.5162.443.20000108.1Q52T50-Q52 VanDerWaalsContact C-N 3.27Å; T50-Q52 PolarHBondContact O-N 3.38Å
51F39.5Very low45.4Very low160 Ų160109 Ų10970%0.70254%0.541SS*.  trans-62.695.1161.2-84-93.1000107.9P39 R49P39-F51 HydrophobicContact CB-CD2 4.19Å; P39-F51 HydrophobicContact CG-CB 3.84Å; P39-F51 HydrophobicContact CG-CD2 4.39Å; R49-F51 PolarHBondContact O-N 3.4Å
52Q40Very low47.4Very low124 Ų124105 Ų10558%0.57954%0.538SS*.  trans-67.6128.6159.7-86-179.1-32.300107.2T50 K54T50-Q52 VanDerWaalsContact C-N 3.27Å; T50-Q52 PolarHBondContact O-N 3.38Å; Q52-K54 PolarHBondContact O-N 2.84Å
53I40.4Very low49.7Very low70 Ų70102.5 Ų102.536%0.35952%0.516SS..  trans-69.5115.5176.5-66148.5000107R35 K55 H57R35-I53 HydrophobicContact CG-CD1 4.01Å; I53-K55 WeakPolarHBondContact CG2-O 3.4Å; I53-K55 PolarHBondContact O-N 3.33Å; I53-K55 VanDerWaalsContact O-N 3.13Å; I53-H57 HydrophobicContact CG2-CB 3.83Å; I53-H57 WeakPolarHBondContact CG2-CD2 3.27Å
54K38.7Very low51.9Low162 Ų16299.7 Ų99.770%0.70450%0.501SS*.SBendtrans-64.1-4.2-175.4-77-171.7-175-118.40117.4Q52 E297Q52-K54 PolarHBondContact O-N 2.84Å; K54-E297 WeakPolarHBondContact CD-OE1 3.46Å; K54-E297 WeakPolarHBondContact CD-OE2 3.21Å; K54-E297 VanDerWaalsContact CE-CD 3.5Å; K54-E297 WeakPolarHBondContact CE-OE1 3.46Å; K54-E297 VanDerWaalsContact CE-OE2 3.3Å; K54-E297 WeakPolarHBondContact CE-OE2 3.43Å; K54-E297 WeakPolarHBondContact CG-OE1 3.49Å; K54-E297 IonicContact NZ-OE1 2.97Å; K54-E297 PolarHBondContact NZ-OE1 3.49Å; K54-E297 IonicContact NZ-OE2 3.72Å; K54-E297 PolarHBondContact NZ-OE2 3.45Å
55K39.3Very low53.9Low175 Ų17590 Ų9076%0.76146%0.46SS*.SBendtrans-127.1154.4172.4-85-175.8172-178.70106.9I53 H57I53-K55 WeakPolarHBondContact CG2-O 3.4Å; I53-K55 PolarHBondContact O-N 3.33Å; I53-K55 VanDerWaalsContact O-N 3.13Å; K55-H57 PolarHBondContact O-N 2.94Å
56S42.4Very low55.6Low101 Ų10185.1 Ų85.171%0.70644%0.442SS*.  trans-49.890.915643.40000106.9
57H44.5Very low57.7Low91 Ų9189.8 Ų89.842%0.42144%0.443SS..PPolyproline II helixtrans-62.7133.1168.2-109.8-18000103.4I53 K55 A59I53-H57 HydrophobicContact CG2-CB 3.83Å; I53-H57 WeakPolarHBondContact CG2-CD2 3.27Å; K55-H57 PolarHBondContact O-N 2.94Å; H57-A59 PolarHBondContact O-N 3.34Å
58P51.9Low60.1Low11 Ų1180.9 Ų80.97%0.07141%0.41CS..PPolyproline II helixtrans-46.9124.9174.425.3-38.1000106.8I18 E19 L21 L26 I60I18-P58 HydrophobicContact CG2-CB 4.25Å; E19-P58 HydrophobicContact CB-CB 3.93Å; E19-P58 VanDerWaalsContact CD-CA 3.48Å; E19-P58 HydrophobicContact CG-CB 4.14Å; E19-P58 WeakPolarHBondContact OE1-CA 3.35Å; E19-P58 WeakPolarHBondContact OE2-CA 3.37Å; E19-P58 WeakPolarHBondContact OE2-CB 3.22Å; L21-P58 HydrophobicContact CD1-CB 4.34Å; L21-P58 HydrophobicContact CD1-CG 3.64Å; L26-P58 HydrophobicContact CD2-CG 3.93Å; P58-I60 PolarHBondContact O-N 2.88Å
59A55.6Low62.1Low11 Ų1176.7 Ų76.79%0.09139%0.39CS..PPolyproline II helixtrans-53.8138-162.900000109.1E19 H57 D61 Y282E19-A59 PolarHBondContact OE1-N 2.72Å; H57-A59 PolarHBondContact O-N 3.34Å; A59-D61 PolarHBondContact O-N 2.81Å; A59-Y282 HydrophobicContact CB-CD1 3.75Å; A59-Y282 HydrophobicContact CB-CD2 3.61Å; A59-Y282 HydrophobicContact CB-CE1 3.25Å; A59-Y282 HydrophobicContact CB-CE2 3.13Å; A59-Y282 HydrophobicContact CB-CG 3.91Å; A59-Y282 WeakPolarHBondContact CB-OH 3.4Å
60I66.2Low64.2Low55 Ų5570.5 Ų70.528%0.28238%0.379SS..  trans-56.9115.6177.5-60.1162.5000107.2M33 R35 P58 G62M33-I60 HydrophobicContact CE-CG2 3.59Å; M33-I60 HydrophobicContact SD-CG2 3.53Å; M33-I60 VanDerWaalsContact SD-CG2 3.53Å; R35-I60 HydrophobicContact CB-CD1 3.51Å; R35-I60 HydrophobicContact CB-CG1 4.19Å; R35-I60 HydrophobicContact CG-CD1 3.93Å; P58-I60 PolarHBondContact O-N 2.88Å; I60-G62 PolarHBondContact O-N 3.15Å; I60-G62 VanDerWaalsContact O-N 3.13Å
61D74Confident65.8Low60 Ų6068.2 Ų68.232%0.32136%0.362SS..  trans-75.4106.3170.3-170.6-24.4000107.5I18 A59 S63 L64I18-D61 HydrophobicContact CD1-CB 3.72Å; I18-D61 HydrophobicContact CG1-CB 4.47Å; A59-D61 PolarHBondContact O-N 2.81Å; D61-S63 PolarHBondContact O-N 3.45Å; D61-S63 WeakPolarHBondContact OD1-CA 3.33Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.41Å; D61-S63 PolarHBondContact OD1-OG 2.86Å; D61-S63 PolarHBondContact OD2-OG 2.93Å; D61-L64 HydrophobicContact CB-CD1 4.48Å; D61-L64 HydrophobicContact CB-CG 4.21Å; D61-L64 WeakPolarHBondContact O-CB 3.27Å; D61-L64 PolarHBondContact O-N 3.25Å
62G79.6Confident67.1Low59 Ų5963.7 Ų63.761%0.60835%0.354SS*.THydrogen-bonded Turntrans-61.4-7.1176.300000113.7I60 L64 I86I60-G62 PolarHBondContact O-N 3.15Å; I60-G62 VanDerWaalsContact O-N 3.13Å; G62-L64 VanDerWaalsContact C-N 3.31Å; G62-I86 WeakPolarHBondContact O-CD1 3.46Å
63S86.1Confident68.5Low9 Ų962.3 Ų62.36%0.06335%0.351CS..THydrogen-bonded Turntrans-74.5-19.4168.476.90000113.4D61 T85 I86D61-S63 PolarHBondContact O-N 3.45Å; D61-S63 WeakPolarHBondContact OD1-CA 3.33Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.41Å; D61-S63 PolarHBondContact OD1-OG 2.86Å; D61-S63 PolarHBondContact OD2-OG 2.93Å; S63-T85 CarbonylContact O-C 3.58Å; S63-T85 WeakPolarHBondContact O-CA 3.44Å; S63-T85 VanDerWaalsContact O-CB 3.28Å; S63-T85 WeakPolarHBondContact O-CB 3.3Å; S63-I86 WeakPolarHBondContact O-CB 3.42Å; S63-I86 PolarHBondContact O-N 3.12Å
64L89.3Confident70.4Confident5 Ų561.4 Ų61.43%0.02635%0.351CS..SBendtrans-78.4146.2-178.7-69.7-174000112.4C14 I18 L26 Y27 M33 D61 G62 A66 I86C14-L64 HydrophobicContact CB-CD2 3.94Å; I18-L64 HydrophobicContact CD1-CD1 3.38Å; I18-L64 HydrophobicContact CD1-CD2 4.3Å; I18-L64 HydrophobicContact CD1-CG 3.95Å; L26-L64 HydrophobicContact CD1-CD1 3.48Å; L26-L64 VanDerWaalsContact CD1-CD1 3.48Å; Y27-L64 HydrophobicContact CE2-CD1 4.26Å; Y27-L64 WeakPolarHBondContact OH-CB 3.47Å; M33-L64 HydrophobicContact SD-CB 4.45Å; D61-L64 HydrophobicContact CB-CD1 4.48Å; D61-L64 HydrophobicContact CB-CG 4.21Å; D61-L64 WeakPolarHBondContact O-CB 3.27Å; D61-L64 PolarHBondContact O-N 3.25Å; G62-L64 VanDerWaalsContact C-N 3.31Å; L64-A66 PolarHBondContact O-N 2.94Å; L64-I86 VanDerWaalsContact O-CD1 3.26Å; L64-I86 WeakPolarHBondContact O-CD1 3.35Å
65P90.4Very high72.4Confident15 Ų1555.4 Ų55.410%0.09733%0.326CS..  trans-64.4132.4176.726.2-33.4000111.4Y27 R67 L68Y27-P65 WeakPolarHBondContact CE1-O 3.46Å; Y27-P65 VanDerWaalsContact OH-CD 3.27Å; Y27-P65 WeakPolarHBondContact OH-CD 3.24Å; Y27-P65 WeakPolarHBondContact OH-CG 3.47Å; Y27-P65 PolarHBondContact OH-O 3.11Å; P65-R67 PolarHBondContact O-N 3.43Å; P65-L68 HydrophobicContact CG-CD2 4.05Å
66A87.8Confident74.5Confident52 Ų5253.3 Ų53.343%0.4332%0.319SS..SBendtrans-58.4-26178.900000114.1M33 V36 L64M33-A66 WeakPolarHBondContact CB-O 3.35Å; M33-A66 PolarHBondContact N-O 2.97Å; V36-A66 HydrophobicContact CG2-CB 4.29Å; L64-A66 PolarHBondContact O-N 2.94Å
67R88.5Confident76.5Confident152 Ų15250 Ų5057%0.57429%0.292SS*.BIsolated β-bridgetrans-140.4133.2174.3178.9179-79.3-115.7-0.6109.5G31 L32 P65G31-R67 CarbonylContact O-C 3.56Å; G31-R67 VanDerWaalsContact O-CA 3.3Å; G31-R67 WeakPolarHBondContact O-CA 3.38Å; L32-R67 HydrophobicContact CD1-CB 4.36Å; P65-R67 PolarHBondContact O-N 3.43Å
68L89.3Confident78.5Confident7 Ų745.8 Ų45.84%0.03727%0.273CS..PPolyproline II helixtrans-70.3149.5172.8-65.3172.3000111.3W23 I24 Y27 G31 P65 L75 F78 P83W23-L68 HydrophobicContact CH2-CD1 4.35Å; W23-L68 HydrophobicContact CH2-CD2 3.8Å; W23-L68 HydrophobicContact CZ3-CD1 4.16Å; W23-L68 HydrophobicContact CZ3-CD2 3.58Å; W23-L68 HydrophobicContact CZ3-CG 4.48Å; I24-L68 HydrophobicContact CD1-CD1 3.51Å; Y27-L68 HydrophobicContact CD1-CD1 3.72Å; Y27-L68 HydrophobicContact CD1-CD2 4.36Å; Y27-L68 HydrophobicContact CD1-CG 3.59Å; Y27-L68 HydrophobicContact CD2-CD1 3.95Å; Y27-L68 HydrophobicContact CD2-CG 4.4Å; Y27-L68 HydrophobicContact CE1-CD1 4.09Å; Y27-L68 HydrophobicContact CE1-CD2 3.87Å; Y27-L68 HydrophobicContact CE1-CG 3.53Å; Y27-L68 HydrophobicContact CE2-CD1 4.34Å; Y27-L68 HydrophobicContact CE2-CD2 4.26Å; Y27-L68 HydrophobicContact CE2-CG 4.4Å; Y27-L68 HydrophobicContact CG-CD1 3.61Å; Y27-L68 HydrophobicContact CG-CG 4.01Å; G31-L68 PolarHBondContact O-N 3.12Å; P65-L68 HydrophobicContact CG-CD2 4.05Å; L68-L75 HydrophobicContact CB-CD2 4.45Å; L68-L75 HydrophobicContact CD1-CD2 4.01Å; L68-F78 HydrophobicContact CB-CE2 4.01Å; L68-F78 HydrophobicContact CB-CZ 4.41Å; L68-F78 HydrophobicContact CD1-CD2 3.99Å; L68-F78 HydrophobicContact CD1-CE2 4.29Å; L68-P83 HydrophobicContact CD2-CG 3.78Å
69P84.9Confident80Confident25 Ų2548.2 Ų48.216%0.16229%0.285CS..PPolyproline II helixtrans-58.1147.3172.5-14.527.2000110.7F71 F78 P83 L120 L170P69-F71 PolarHBondContact O-N 2.93Å; P69-F78 HydrophobicContact CB-CZ 4.38Å; P69-F78 HydrophobicContact CG-CE1 4.47Å; P69-F78 HydrophobicContact CG-CZ 4.42Å; P69-F78 VanDerWaalsContact O-CZ 3.26Å; P69-F78 WeakPolarHBondContact O-CZ 3.32Å; P69-P83 HydrophobicContact CG-CB 4.16Å; P69-L120 HydrophobicContact CG-CD2 4.5Å; P69-L170 HydrophobicContact CB-CD2 3.12Å; P69-L170 HydrophobicContact CG-CD2 4.02Å
70A79.9Confident81.4Confident56 Ų5651.2 Ų51.246%0.46329%0.294SS..PPolyproline II helixtrans-66.9125.7177.300000109.4L169A70-L169 HydrophobicContact CB-CB 4.19Å
71F73.7Confident82.4Confident33 Ų3348.9 Ų48.915%0.14528%0.282CS..  trans-124.5134176.3-160.4-134.1000111P69 N73 E77 F78 T160 Y162P69-F71 PolarHBondContact O-N 2.93Å; F71-N73 VanDerWaalsContact C-N 3.31Å; F71-N73 HydrophobicContact CD1-CB 4.34Å; F71-N73 HydrophobicContact CE1-CB 4.19Å; F71-N73 PolarHBondContact O-N 2.81Å; F71-E77 HydrophobicContact CD1-CB 3.75Å; F71-E77 HydrophobicContact CD1-CG 4.2Å; F71-E77 HydrophobicContact CE1-CB 3.39Å; F71-E77 HydrophobicContact CE1-CG 3.74Å; F71-F78 HydrophobicContact CB-CE2 4.02Å; F71-F78 HydrophobicContact CB-CZ 3.86Å; F71-T160 WeakPolarHBondContact CZ-O 3.33Å; F71-Y162 WeakPolarHBondContact CB-OH 3.41Å; F71-Y162 AromaticContact CD2-CD1 3.94Å; F71-Y162 HydrophobicContact CD2-CD1 3.94Å; F71-Y162 HydrophobicContact CD2-CD2 4.13Å; F71-Y162 AromaticContact CD2-CE1 3.29Å; F71-Y162 HydrophobicContact CD2-CE1 3.29Å; F71-Y162 AromaticContact CD2-CE2 3.48Å; F71-Y162 HydrophobicContact CD2-CE2 3.48Å; F71-Y162 VanDerWaalsContact CD2-CE2 3.48Å; F71-Y162 HydrophobicContact CD2-CG 4.32Å; F71-Y162 AromaticContact CD2-CZ 3.01Å; F71-Y162 WeakPolarHBondContact CD2-OH 3.36Å; F71-Y162 AromaticContact CE2-CD1 3.84Å; F71-Y162 HydrophobicContact CE2-CD1 3.84Å; F71-Y162 AromaticContact CE2-CD2 3.58Å; F71-Y162 HydrophobicContact CE2-CD2 3.58Å; F71-Y162 AromaticContact CE2-CE1 3.65Å; F71-Y162 HydrophobicContact CE2-CE1 3.65Å; F71-Y162 AromaticContact CE2-CE2 3.35Å; F71-Y162 HydrophobicContact CE2-CE2 3.35Å; F71-Y162 AromaticContact CE2-CG 3.81Å; F71-Y162 HydrophobicContact CE2-CG 3.81Å; F71-Y162 AromaticContact CE2-CZ 3.4Å; F71-Y162 HydrophobicContact CG-CE1 4.4Å; F71-Y162 HydrophobicContact CG-CE2 4.35Å; F71-Y162 AromaticContact CG-CZ 3.87Å; F71-Y162 HydrophobicContact CZ-CD2 4.37Å; F71-Y162 HydrophobicContact CZ-CE2 4.17Å
72A67Low83.2Confident65 Ų6546.7 Ų46.754%0.53727%0.271SS..SBendtrans-70.3-25.2-169.400000113.9
73N68.2Low83.8Confident95 Ų9544 Ų4451%0.50824%0.243SC..SBendtrans-94.8-64.4-169.4-62.1-19.3000112F71 E77F71-N73 VanDerWaalsContact C-N 3.31Å; F71-N73 HydrophobicContact CD1-CB 4.34Å; F71-N73 HydrophobicContact CE1-CB 4.19Å; F71-N73 PolarHBondContact O-N 2.81Å; N73-E77 HydrophobicContact CB-CG 4.27Å
74S80.8Confident84.2Confident51 Ų5143.6 Ų43.636%0.35724%0.24SC..  trans-169149-177.8174.40000110.7Q76 E77S74-Q76 PolarHBondContact O-N 2.97Å; S74-Q76 PolarHBondContact OG-N 2.82Å; S74-Q76 VanDerWaalsContact OG-N 3.1Å; S74-E77 WeakPolarHBondContact O-CB 3.19Å; S74-E77 PolarHBondContact O-N 3.36Å
75L81.7Confident84.4Confident36 Ų3643.6 Ų43.619%0.18824%0.24CC..G310 helixtrans-61-26.4170-69.9-175000113I24 W28 P29 L68 E77 F78I24-L75 HydrophobicContact CD1-CB 4.49Å; W28-L75 WeakPolarHBondContact O-CD1 3.49Å; P29-L75 WeakPolarHBondContact O-CD1 3.38Å; L68-L75 HydrophobicContact CB-CD2 4.45Å; L68-L75 HydrophobicContact CD1-CD2 4.01Å; L75-E77 PolarHBondContact O-N 3.24Å; L75-F78 HydrophobicContact CD2-CD2 4Å; L75-F78 HydrophobicContact CD2-CE2 3.79Å; L75-F78 WeakPolarHBondContact O-CB 3.4Å; L75-F78 WeakPolarHBondContact O-CD2 3.29Å; L75-F78 PolarHBondContact O-N 3.19Å; L75-F78 VanDerWaalsContact O-N 3.13Å
76Q82.8Confident84.5Confident130 Ų13046.3 Ų46.361%0.60725%0.253SS*.G310 helixtrans-65.4-22.3179.2-67.3-165.3-3.700112.6S74 F78 I79S74-Q76 PolarHBondContact O-N 2.97Å; S74-Q76 PolarHBondContact OG-N 2.82Å; S74-Q76 VanDerWaalsContact OG-N 3.1Å; Q76-F78 PolarHBondContact O-N 3.11Å; Q76-I79 HydrophobicContact CB-CD1 4.44Å; Q76-I79 VanDerWaalsContact O-CB 3.25Å; Q76-I79 WeakPolarHBondContact O-CB 3.37Å; Q76-I79 VanDerWaalsContact O-CG1 3.31Å; Q76-I79 WeakPolarHBondContact O-CG1 3.21Å; Q76-I79 PolarHBondContact O-N 3.33Å
77E84.2Confident84.7Confident32 Ų3248.8 Ų48.815%0.1525%0.252CS..G310 helixtrans-64.6-23.6176.2-64.9-65.2129.200112.3F71 N73 S74 L75 I79 Y80 D81 R157 T160F71-E77 HydrophobicContact CD1-CB 3.75Å; F71-E77 HydrophobicContact CD1-CG 4.2Å; F71-E77 HydrophobicContact CE1-CB 3.39Å; F71-E77 HydrophobicContact CE1-CG 3.74Å; N73-E77 HydrophobicContact CB-CG 4.27Å; S74-E77 WeakPolarHBondContact O-CB 3.19Å; S74-E77 PolarHBondContact O-N 3.36Å; L75-E77 PolarHBondContact O-N 3.24Å; E77-I79 PolarHBondContact O-N 2.96Å; E77-Y80 PolarHBondContact O-N 3.46Å; E77-D81 PolarHBondContact O-N 3.3Å; E77-R157 VanDerWaalsContact CD-NH2 3.27Å; E77-R157 IonicContact OE1-NH2 3.77Å; E77-R157 PolarHBondContact OE1-NH2 3Å; E77-R157 IonicContact OE2-CZ 3.84Å; E77-R157 IonicContact OE2-NH1 3.92Å; E77-R157 IonicContact OE2-NH2 2.78Å; E77-R157 PolarHBondContact OE2-NH2 2.8Å; E77-T160 VanDerWaalsContact OE2-CB 3.25Å; E77-T160 WeakPolarHBondContact OE2-CB 3.48Å; E77-T160 PolarHBondContact OE2-OG1 3.31Å
78F87.4Confident85Confident2 Ų241.5 Ų41.51%0.00923%0.225CC..G310 helixtrans-65.8-16.5173.7-70.8-62.5000113.4W23 I24 L68 P69 F71 L75 Q76 Y80 D81 P82 P83 L120 Y162W23-F78 HydrophobicContact CH2-CB 3.75Å; W23-F78 HydrophobicContact CH2-CG 4.38Å; W23-F78 HydrophobicContact CZ2-CB 3.78Å; W23-F78 WeakPolarHBondContact CZ2-O 3.38Å; I24-F78 HydrophobicContact CD1-CB 4.01Å; I24-F78 HydrophobicContact CD1-CD2 4.43Å; L68-F78 HydrophobicContact CB-CE2 4.01Å; L68-F78 HydrophobicContact CB-CZ 4.41Å; L68-F78 HydrophobicContact CD1-CD2 3.99Å; L68-F78 HydrophobicContact CD1-CE2 4.29Å; P69-F78 HydrophobicContact CB-CZ 4.38Å; P69-F78 HydrophobicContact CG-CE1 4.47Å; P69-F78 HydrophobicContact CG-CZ 4.42Å; P69-F78 VanDerWaalsContact O-CZ 3.26Å; P69-F78 WeakPolarHBondContact O-CZ 3.32Å; F71-F78 HydrophobicContact CB-CE2 4.02Å; F71-F78 HydrophobicContact CB-CZ 3.86Å; L75-F78 HydrophobicContact CD2-CD2 4Å; L75-F78 HydrophobicContact CD2-CE2 3.79Å; L75-F78 WeakPolarHBondContact O-CB 3.4Å; L75-F78 WeakPolarHBondContact O-CD2 3.29Å; L75-F78 PolarHBondContact O-N 3.19Å; L75-F78 VanDerWaalsContact O-N 3.13Å; Q76-F78 PolarHBondContact O-N 3.11Å; F78-Y80 PolarHBondContact O-N 3.4Å; F78-D81 WeakPolarHBondContact CD1-O 3.38Å; F78-D81 CarbonylContact O-C 3.53Å; F78-P82 VanDerWaalsContact O-CA 3.3Å; F78-P82 WeakPolarHBondContact O-CA 3.29Å; F78-P83 HydrophobicContact CD1-CG 4.47Å; F78-L120 HydrophobicContact CD1-CD2 4.13Å; F78-L120 HydrophobicContact CE1-CD2 3.62Å; F78-Y162 WeakPolarHBondContact CZ-OH 3.41Å
79I83.7Confident85.3Confident63 Ų6345.1 Ų45.132%0.32324%0.24SC..G310 helixtrans-60.1-36.8170.2-63.9171.4000110I24 Q76 E77 F155I24-I79 HydrophobicContact CB-CG1 4.38Å; I24-I79 HydrophobicContact CG2-CD1 4.05Å; I24-I79 HydrophobicContact CG2-CG1 3.79Å; Q76-I79 HydrophobicContact CB-CD1 4.44Å; Q76-I79 VanDerWaalsContact O-CB 3.25Å; Q76-I79 WeakPolarHBondContact O-CB 3.37Å; Q76-I79 VanDerWaalsContact O-CG1 3.31Å; Q76-I79 WeakPolarHBondContact O-CG1 3.21Å; Q76-I79 PolarHBondContact O-N 3.33Å; E77-I79 PolarHBondContact O-N 2.96Å; I79-F155 WeakPolarHBondContact O-CZ 3.37Å
80Y83.5Confident85.8Confident73 Ų7347.9 Ų47.929%0.28625%0.253SS..THydrogen-bonded Turntrans-92.4-29.5-178.2-55-73.1000113E77 F78 F155 P159E77-Y80 PolarHBondContact O-N 3.46Å; F78-Y80 PolarHBondContact O-N 3.4Å; Y80-F155 HydrophobicContact CD1-CB 4.26Å; Y80-F155 AromaticContact CD1-CD1 3.54Å; Y80-F155 HydrophobicContact CD1-CD1 3.54Å; Y80-F155 AromaticContact CD1-CD2 3.93Å; Y80-F155 HydrophobicContact CD1-CD2 3.93Å; Y80-F155 AromaticContact CD1-CE1 3.73Å; Y80-F155 HydrophobicContact CD1-CE1 3.73Å; Y80-F155 HydrophobicContact CD1-CE2 4.09Å; Y80-F155 AromaticContact CD1-CG 3.66Å; Y80-F155 HydrophobicContact CD1-CG 3.66Å; Y80-F155 HydrophobicContact CD1-CZ 4.02Å; Y80-F155 HydrophobicContact CE1-CB 4.43Å; Y80-F155 AromaticContact CE1-CD1 3.69Å; Y80-F155 HydrophobicContact CE1-CD1 3.69Å; Y80-F155 HydrophobicContact CE1-CE1 4.09Å; Y80-F155 HydrophobicContact CE1-CG 4.09Å; Y80-P159 WeakPolarHBondContact O-CG 3.29Å
81D88Confident86.5Confident7 Ų747.3 Ų47.34%0.03724%0.241CC..SBendtrans-13269.6179.9-161.924000112.7E77 F78 C119 L120 P159E77-D81 PolarHBondContact O-N 3.3Å; F78-D81 WeakPolarHBondContact CD1-O 3.38Å; F78-D81 CarbonylContact O-C 3.53Å; D81-C119 VanDerWaalsContact OD1-CA 3.32Å; D81-C119 WeakPolarHBondContact OD1-CA 3.29Å; D81-L120 VanDerWaalsContact CG-N 3.31Å; D81-L120 PolarHBondContact OD1-N 3.13Å; D81-L120 VanDerWaalsContact OD2-CB 3.3Å; D81-L120 WeakPolarHBondContact OD2-CB 3.33Å; D81-L120 PolarHBondContact OD2-N 2.88Å; D81-L120 VanDerWaalsContact OD2-N 3.11Å; D81-P159 HydrophobicContact CB-CB 3.96Å
82P90.4Very high87.6Confident14 Ų1445.7 Ų45.79%0.09123%0.234CC..PPolyproline II helixtrans-69.1143.6-172.523.7-30.5000112.6C14 D15 W23 F78C14-P82 HydrophobicContact CB-CB 4.26Å; D15-P82 HydrophobicContact CB-CB 4.47Å; D15-P82 HydrophobicContact CB-CG 3.68Å; W23-P82 HydrophobicContact CZ2-CB 3.73Å; F78-P82 VanDerWaalsContact O-CA 3.3Å; F78-P82 WeakPolarHBondContact O-CA 3.29Å
83P92.6Very high89.1Confident2 Ų247.1 Ų47.11%0.01323%0.228CC..PPolyproline II helixtrans-74.1168.617532.1-33.3000111.7S13 C14 W23 L68 P69 F78 L120S13-P83 CarbonylContact C-O 3.53Å; S13-P83 VanDerWaalsContact CA-O 3.28Å; S13-P83 WeakPolarHBondContact CA-O 3.34Å; C14-P83 PolarHBondContact N-O 2.99Å; C14-P83 PolarHBondContact SG-O 2.94Å; W23-P83 HydrophobicContact CH2-CG 4.2Å; L68-P83 HydrophobicContact CD2-CG 3.78Å; P69-P83 HydrophobicContact CG-CB 4.16Å; F78-P83 HydrophobicContact CD1-CG 4.47Å; P83-L120 HydrophobicContact CB-CD2 3.81Å; P83-L120 HydrophobicContact CB-CG 4.48Å
84L94.3Very high90.4Very high1 Ų145.5 Ų45.51%0.00522%0.219CC..BIsolated β-bridgetrans-61.5143.5169.6-68.9-174000112.5A11 E12 K89 C121 Q124A11-L84 HydrophobicContact CB-CD1 4.45Å; A11-L84 HydrophobicContact CB-CD2 3.87Å; E12-L84 WeakPolarHBondContact O-CA 3.33Å; E12-L84 WeakPolarHBondContact O-CD2 3.26Å; L84-K89 HydrophobicContact CB-CG 4.1Å; L84-K89 HydrophobicContact CD1-CG 4.11Å; L84-C121 HydrophobicContact CD2-CB 3.81Å; L84-C121 HydrophobicContact CG-CB 4.44Å; L84-Q124 HydrophobicContact CD1-CB 3.62Å; L84-Q124 HydrophobicContact CG-CB 3.77Å
85T93.2Very high91.2Very high4 Ų443 Ų433%0.02520%0.202CC..PPolyproline II helixtrans-71.2166164.164.30000110.4E12 S13 S63 Y87 G88 K89E12-T85 HydrophobicContact CG-CG2 4.03Å; E12-T85 PolarHBondContact O-N 3.34Å; E12-T85 PolarHBondContact O-OG1 2.98Å; E12-T85 PolarHBondContact OE2-OG1 3.12Å; S13-T85 WeakPolarHBondContact O-CG2 3.12Å; S63-T85 CarbonylContact O-C 3.58Å; S63-T85 WeakPolarHBondContact O-CA 3.44Å; S63-T85 VanDerWaalsContact O-CB 3.28Å; S63-T85 WeakPolarHBondContact O-CB 3.3Å; T85-Y87 VanDerWaalsContact C-N 3.3Å; T85-G88 PolarHBondContact O-N 2.84Å; T85-G88 PolarHBondContact OG1-N 2.93Å; T85-K89 PolarHBondContact O-N 2.95Å; T85-K89 VanDerWaalsContact O-N 3.09Å
86I92.6Very high91.9Very high73 Ų7341.3 Ų41.337%0.37419%0.193SC..Hα-helixtrans-58.9-44.8169.2-65.8173.1000109.8G62 S63 L64 G88 K89 L90G62-I86 WeakPolarHBondContact O-CD1 3.46Å; S63-I86 WeakPolarHBondContact O-CB 3.42Å; S63-I86 PolarHBondContact O-N 3.12Å; L64-I86 VanDerWaalsContact O-CD1 3.26Å; L64-I86 WeakPolarHBondContact O-CD1 3.35Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 2.89Å; I86-K89 PolarHBondContact O-N 2.83Å; I86-L90 HydrophobicContact CG2-CD1 4.13Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CG 3.25Å; I86-L90 PolarHBondContact O-N 2.89Å
87Y91.3Very high92.6Very high103 Ų10340.1 Ų40.140%0.40419%0.188SC..Hα-helixtrans-59.9-43.3174.3-80.4-59.8000112.2E12 T85 K89 L90 M91E12-Y87 WeakPolarHBondContact OE2-CB 3.41Å; T85-Y87 VanDerWaalsContact C-N 3.3Å; Y87-K89 VanDerWaalsContact C-N 3.3Å; Y87-K89 PolarHBondContact O-N 2.79Å; Y87-L90 HydrophobicContact CD1-CD1 4.41Å; Y87-L90 PolarHBondContact O-N 2.74Å; Y87-L90 VanDerWaalsContact O-N 3.13Å; Y87-M91 WeakPolarHBondContact O-CB 3.33Å; Y87-M91 VanDerWaalsContact O-CG 3.3Å; Y87-M91 WeakPolarHBondContact O-CG 3.04Å; Y87-M91 PolarHBondContact O-N 3.13Å
88G94.7Very high93.2Very high0 Ų042.4 Ų42.40%020%0.196CC..Hα-helixtrans-54.9-46.1175.500000112A11 T85 I86 M91 C92A11-G88 WeakPolarHBondContact CB-O 3.15Å; T85-G88 PolarHBondContact O-N 2.84Å; T85-G88 PolarHBondContact OG1-N 2.93Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 2.89Å; G88-M91 PolarHBondContact O-N 2.86Å; G88-C92 PolarHBondContact O-N 2.83Å; G88-C92 PolarHBondContact O-SG 2.93Å
89K95.7Very high93.6Very high83 Ų8342.3 Ų42.336%0.36120%0.195SC..Hα-helixtrans-64.1-43.1175.7-65.7-178.6-178.4-178.90112.6L84 T85 I86 Y87 M91 C92 K93 V128L84-K89 HydrophobicContact CB-CG 4.1Å; L84-K89 HydrophobicContact CD1-CG 4.11Å; T85-K89 PolarHBondContact O-N 2.95Å; T85-K89 VanDerWaalsContact O-N 3.09Å; I86-K89 PolarHBondContact O-N 2.83Å; Y87-K89 VanDerWaalsContact C-N 3.3Å; Y87-K89 PolarHBondContact O-N 2.79Å; K89-M91 VanDerWaalsContact C-N 3.35Å; K89-C92 WeakPolarHBondContact O-CB 3.41Å; K89-C92 PolarHBondContact O-N 2.78Å; K89-K93 WeakPolarHBondContact O-CG 3.23Å; K89-K93 PolarHBondContact O-N 3.19Å; K89-K93 VanDerWaalsContact O-N 3.14Å; K89-V128 HydrophobicContact CG-CG2 4.28Å
90L95.3Very high94.2Very high83 Ų8341.9 Ų41.944%0.43519%0.193SC..Hα-helixtrans-62.1-43177.6-70.1171.8000111.6I86 Y87 C92 K93 L94I86-L90 HydrophobicContact CG2-CD1 4.13Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CG 3.25Å; I86-L90 PolarHBondContact O-N 2.89Å; Y87-L90 HydrophobicContact CD1-CD1 4.41Å; Y87-L90 PolarHBondContact O-N 2.74Å; Y87-L90 VanDerWaalsContact O-N 3.13Å; L90-C92 VanDerWaalsContact C-N 3.31Å; L90-C92 PolarHBondContact O-N 2.97Å; L90-K93 WeakPolarHBondContact O-CB 3.4Å; L90-K93 PolarHBondContact O-N 3.3Å; L90-K93 VanDerWaalsContact O-N 3.1Å; L90-L94 PolarHBondContact O-N 3.36Å
91M95.3Very high94.7Very high43 Ų4345.2 Ų45.221%0.21221%0.211CC..Hα-helixtrans-65.8-33.9177.1-67-59.3-65.200112.1Y87 G88 K89 K93 L94 A95 L253 L275 C277Y87-M91 WeakPolarHBondContact O-CB 3.33Å; Y87-M91 VanDerWaalsContact O-CG 3.3Å; Y87-M91 WeakPolarHBondContact O-CG 3.04Å; Y87-M91 PolarHBondContact O-N 3.13Å; G88-M91 PolarHBondContact O-N 2.86Å; K89-M91 VanDerWaalsContact C-N 3.35Å; M91-K93 VanDerWaalsContact C-N 3.34Å; M91-L94 PolarHBondContact O-N 2.94Å; M91-A95 WeakPolarHBondContact O-CB 3.14Å; M91-A95 PolarHBondContact O-N 3.32Å; M91-L253 VanDerWaalsContact C-CD1 3.48Å; M91-L253 HydrophobicContact CB-CD1 3.59Å; M91-L253 WeakPolarHBondContact O-CD1 3.12Å; M91-L275 HydrophobicContact CE-CB 3.66Å; M91-L275 HydrophobicContact CE-CD1 3.99Å; M91-L275 HydrophobicContact CE-CG 4.39Å; M91-C277 HydrophobicContact CE-CB 4.36Å; M91-C277 HydrophobicContact SD-CB 4.38Å
92C97.4Very high94.9Very high0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-61.6-40.8170.2-71.40000112.2A11 G88 K89 L90 A95 S96 V128 L129A11-C92 WeakPolarHBondContact CB-SG 3.25Å; G88-C92 PolarHBondContact O-N 2.83Å; G88-C92 PolarHBondContact O-SG 2.93Å; K89-C92 WeakPolarHBondContact O-CB 3.41Å; K89-C92 PolarHBondContact O-N 2.78Å; L90-C92 VanDerWaalsContact C-N 3.31Å; L90-C92 PolarHBondContact O-N 2.97Å; C92-A95 WeakPolarHBondContact O-CB 3.32Å; C92-A95 PolarHBondContact O-N 3.3Å; C92-S96 PolarHBondContact O-N 2.84Å; C92-S96 PolarHBondContact O-OG 3.47Å; C92-V128 HydrophobicContact CB-CB 3.92Å; C92-V128 HydrophobicContact CB-CG1 3.43Å; C92-V128 VanDerWaalsContact CB-CG1 3.43Å; C92-L129 HydrophobicContact CB-CD2 4.43Å; C92-L129 WeakPolarHBondContact O-CD2 3.32Å
93K97.1Very high94.9Very high94 Ų9450.7 Ų50.741%0.40924%0.24SC..Hα-helixtrans-59.6-49.1177.1-61.8-175.5174.6-176.40111.1K89 L90 M91 A95 S96 E97 V128K89-K93 WeakPolarHBondContact O-CG 3.23Å; K89-K93 PolarHBondContact O-N 3.19Å; K89-K93 VanDerWaalsContact O-N 3.14Å; L90-K93 WeakPolarHBondContact O-CB 3.4Å; L90-K93 PolarHBondContact O-N 3.3Å; L90-K93 VanDerWaalsContact O-N 3.1Å; M91-K93 VanDerWaalsContact C-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.29Å; K93-A95 PolarHBondContact O-N 2.78Å; K93-S96 WeakPolarHBondContact O-CB 3.42Å; K93-S96 PolarHBondContact O-N 3.2Å; K93-S96 VanDerWaalsContact O-N 3.14Å; K93-E97 PolarHBondContact O-N 2.9Å; K93-E97 VanDerWaalsContact O-N 3.1Å; K93-V128 HydrophobicContact CG-CG1 4.3Å
94L96.4Very high94.8Very high61 Ų6154.4 Ų54.432%0.31927%0.271SS..Hα-helixtrans-60.2-40.6176.3-177.563.1000111.6L90 M91 S96 E97 Y98 L275L90-L94 PolarHBondContact O-N 3.36Å; M91-L94 PolarHBondContact O-N 2.94Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 2.93Å; L94-E97 WeakPolarHBondContact O-CB 3.27Å; L94-E97 PolarHBondContact O-N 3.44Å; L94-Y98 HydrophobicContact CD1-CD2 4.17Å; L94-Y98 HydrophobicContact CD1-CE2 3.7Å; L94-Y98 HydrophobicContact CD2-CE2 4.14Å; L94-Y98 HydrophobicContact CG-CD2 3.98Å; L94-Y98 HydrophobicContact CG-CE2 3.67Å; L94-Y98 VanDerWaalsContact O-CD2 3.24Å; L94-Y98 WeakPolarHBondContact O-CD2 3.44Å; L94-Y98 PolarHBondContact O-N 3.39Å; L94-Y98 VanDerWaalsContact O-N 3.09Å; L94-L275 HydrophobicContact CD2-CD2 4.28Å
95A97.4Very high94.6Very high0 Ų059.9 Ų59.90%030%0.3CS..Hα-helixtrans-61.2-41.1175.600000112.4M91 C92 K93 E97 Y98 L99 L129 L253 L272 L275M91-A95 WeakPolarHBondContact O-CB 3.14Å; M91-A95 PolarHBondContact O-N 3.32Å; C92-A95 WeakPolarHBondContact O-CB 3.32Å; C92-A95 PolarHBondContact O-N 3.3Å; K93-A95 VanDerWaalsContact C-N 3.29Å; K93-A95 PolarHBondContact O-N 2.78Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 3.43Å; A95-Y98 PolarHBondContact O-N 2.64Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.06Å; A95-L129 HydrophobicContact CB-CD2 3.82Å; A95-L253 HydrophobicContact CB-CD1 4.21Å; A95-L272 HydrophobicContact CB-CD1 3.67Å; A95-L272 HydrophobicContact CB-CD2 3.92Å; A95-L272 HydrophobicContact CB-CG 4.49Å; A95-L275 HydrophobicContact CB-CD1 3.93Å
96S97.3Very high94.7Very high0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-60.8-42.6173.9-64.30000112.3C92 K93 L94 Y98 L99 L100 L129C92-S96 PolarHBondContact O-N 2.84Å; C92-S96 PolarHBondContact O-OG 3.47Å; K93-S96 WeakPolarHBondContact O-CB 3.42Å; K93-S96 PolarHBondContact O-N 3.2Å; K93-S96 VanDerWaalsContact O-N 3.14Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 2.93Å; S96-Y98 VanDerWaalsContact C-N 3.33Å; S96-Y98 PolarHBondContact O-N 2.85Å; S96-L99 PolarHBondContact O-N 3Å; S96-L100 WeakPolarHBondContact O-CG 3.47Å; S96-L100 PolarHBondContact O-N 3.37Å; S96-L129 VanDerWaalsContact OG-CA 3.24Å; S96-L129 WeakPolarHBondContact OG-CA 3.36Å; S96-L129 WeakPolarHBondContact OG-CD2 3.32Å; S96-L129 PolarHBondContact OG-O 2.8Å
97E96.3Very high94.7Very high104 Ų10456.7 Ų56.749%0.48629%0.286SS..Hα-helixtrans-59.3-44176.6-68.2172.3-165.300111.4K93 L94 A95 L100 Q101K93-E97 PolarHBondContact O-N 2.9Å; K93-E97 VanDerWaalsContact O-N 3.1Å; L94-E97 WeakPolarHBondContact O-CB 3.27Å; L94-E97 PolarHBondContact O-N 3.44Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 3.43Å; E97-L100 PolarHBondContact O-N 2.91Å; E97-Q101 WeakPolarHBondContact O-CG 3.05Å; E97-Q101 PolarHBondContact O-N 3.08Å
98Y96.6Very high94.8Very high81 Ų8156.6 Ų56.632%0.31830%0.3SS..Hα-helixtrans-65.7-37.5175.7-80-64.5000113.6L94 A95 S96 L100 Q101 T102 P273 L275L94-Y98 HydrophobicContact CD1-CD2 4.17Å; L94-Y98 HydrophobicContact CD1-CE2 3.7Å; L94-Y98 HydrophobicContact CD2-CE2 4.14Å; L94-Y98 HydrophobicContact CG-CD2 3.98Å; L94-Y98 HydrophobicContact CG-CE2 3.67Å; L94-Y98 VanDerWaalsContact O-CD2 3.24Å; L94-Y98 WeakPolarHBondContact O-CD2 3.44Å; L94-Y98 PolarHBondContact O-N 3.39Å; L94-Y98 VanDerWaalsContact O-N 3.09Å; A95-Y98 PolarHBondContact O-N 2.64Å; S96-Y98 VanDerWaalsContact C-N 3.33Å; S96-Y98 PolarHBondContact O-N 2.85Å; Y98-L100 VanDerWaalsContact C-N 3.33Å; Y98-Q101 PolarHBondContact O-N 3.4Å; Y98-T102 WeakPolarHBondContact O-CB 3.34Å; Y98-T102 PolarHBondContact O-N 3.11Å; Y98-T102 PolarHBondContact O-OG1 3.16Å; Y98-P273 HydrophobicContact CD1-CG 3.76Å; Y98-P273 HydrophobicContact CD2-CG 4.4Å; Y98-P273 HydrophobicContact CE1-CG 4.19Å; Y98-P273 HydrophobicContact CG-CG 3.89Å; Y98-L275 HydrophobicContact CD2-CD2 3.68Å; Y98-L275 HydrophobicContact CE2-CD2 3.52Å
99L97Very high94.8Very high0 Ų057.2 Ų57.20%030%0.304CS..Hα-helixtrans-62.7-42.1174.8-72173.3000110.9L6 A95 S96 T102 K103 F106 L129 L133 L271 L272L6-L99 HydrophobicContact CD2-CD2 4.06Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.06Å; S96-L99 PolarHBondContact O-N 3Å; L99-T102 PolarHBondContact O-N 3.19Å; L99-K103 PolarHBondContact O-N 3.31Å; L99-F106 HydrophobicContact CB-CD1 4.48Å; L99-F106 HydrophobicContact CB-CD2 4.21Å; L99-F106 HydrophobicContact CB-CG 4.2Å; L99-F106 HydrophobicContact CD1-CE1 4.22Å; L99-F106 HydrophobicContact CD1-CZ 4.37Å; L99-F106 HydrophobicContact CD2-CD2 4.28Å; L99-F106 HydrophobicContact CD2-CE2 3.84Å; L99-F106 HydrophobicContact CD2-CZ 4.07Å; L99-L129 HydrophobicContact CD1-CD2 4.44Å; L99-L133 HydrophobicContact CB-CD2 3.94Å; L99-L133 HydrophobicContact CD1-CD2 4.49Å; L99-L271 HydrophobicContact CD2-CB 4.1Å; L99-L272 HydrophobicContact CD2-CB 4.1Å
100L96Very high94.9Very high54 Ų5453.3 Ų53.328%0.28329%0.287SS..Hα-helixtrans-65.1-40174.9-69.2172.8000112.4S96 E97 Y98 T102 K103 A104 L133S96-L100 WeakPolarHBondContact O-CG 3.47Å; S96-L100 PolarHBondContact O-N 3.37Å; E97-L100 PolarHBondContact O-N 2.91Å; Y98-L100 VanDerWaalsContact C-N 3.33Å; L100-T102 VanDerWaalsContact C-N 3.28Å; L100-T102 PolarHBondContact O-N 3.2Å; L100-K103 CarbonylContact O-C 3.52Å; L100-K103 PolarHBondContact O-N 3.23Å; L100-A104 VanDerWaalsContact O-CA 3.26Å; L100-A104 WeakPolarHBondContact O-CA 3.25Å; L100-A104 PolarHBondContact O-N 3.5Å; L100-A104 VanDerWaalsContact O-N 3.14Å; L100-L133 HydrophobicContact CD1-CD2 4.48Å; L100-L133 HydrophobicContact CD2-CD2 3.84Å; L100-L133 HydrophobicContact CG-CD2 3.74Å
101Q94.8Very high94.9Very high142 Ų14251.3 Ų51.366%0.66429%0.287SS*.Hα-helixtrans-63.4-36.4175.1-73.1173.311.400112.1E97 Y98E97-Q101 WeakPolarHBondContact O-CG 3.05Å; E97-Q101 PolarHBondContact O-N 3.08Å; Y98-Q101 PolarHBondContact O-N 3.4Å
102T91.7Very high94.9Very high75 Ų7550.7 Ų50.746%0.4629%0.291SS..Hα-helixtrans-76.9-33.9179.3-53.40000111.5Y98 L99 L100 L271Y98-T102 WeakPolarHBondContact O-CB 3.34Å; Y98-T102 PolarHBondContact O-N 3.11Å; Y98-T102 PolarHBondContact O-OG1 3.16Å; L99-T102 PolarHBondContact O-N 3.19Å; L100-T102 VanDerWaalsContact C-N 3.28Å; L100-T102 PolarHBondContact O-N 3.2Å; T102-L271 HydrophobicContact CG2-CB 4.42Å; T102-L271 HydrophobicContact CG2-CD2 3.71Å; T102-L271 PolarHBondContact OG1-O 2.67Å; T102-L271 VanDerWaalsContact OG1-O 3.13Å
103K90.4Very high94.9Very high61 Ų6151.5 Ų51.527%0.26530%0.296SS..  trans-148.8103177.9-159.4169.8-163178.10110L99 L100 N105 F106 C109L99-K103 PolarHBondContact O-N 3.31Å; L100-K103 CarbonylContact O-C 3.52Å; L100-K103 PolarHBondContact O-N 3.23Å; K103-N105 PolarHBondContact O-N 3Å; K103-F106 HydrophobicContact CB-CB 4.37Å; K103-F106 HydrophobicContact CB-CD2 4.14Å; K103-F106 WeakPolarHBondContact O-CB 3.36Å; K103-F106 PolarHBondContact O-N 3.32Å; K103-C109 WeakPolarHBondContact CE-SG 3.43Å; K103-C109 PolarHBondContact NZ-SG 3.18Å; K103-C109 VanDerWaalsContact NZ-SG 3.4Å
104A89.6Confident95Very high81 Ų8147 Ų4767%0.66928%0.277SS*.THydrogen-bonded Turntrans-52.5-36.9-172.200000114.1L100L100-A104 VanDerWaalsContact O-CA 3.26Å; L100-A104 WeakPolarHBondContact O-CA 3.25Å; L100-A104 PolarHBondContact O-N 3.5Å; L100-A104 VanDerWaalsContact O-N 3.14Å
105N90.3Very high95.1Very high116 Ų11644.1 Ų44.162%0.6226%0.262SS*.THydrogen-bonded Turntrans-104.840.3178.8-62.3-34.4000112.2K103 G107 S108 C109K103-N105 PolarHBondContact O-N 3Å; N105-G107 VanDerWaalsContact C-N 3.29Å; N105-G107 PolarHBondContact O-N 3.18Å; N105-S108 PolarHBondContact O-N 3.18Å; N105-S108 VanDerWaalsContact O-N 3.12Å; N105-C109 PolarHBondContact O-N 3.43Å
106F95.3Very high95.1Very high1 Ų144.1 Ų44.10%0.00426%0.262CS..THydrogen-bonded Turntrans-53-44.1-173.8-171.4-85.6000112.8L6 L99 K103 S108 C109 L110 L133 V216 L218 L271L6-F106 HydrophobicContact CD2-CE2 4Å; L6-F106 HydrophobicContact CD2-CZ 3.48Å; L6-F106 VanDerWaalsContact CD2-CZ 3.48Å; L99-F106 HydrophobicContact CB-CD1 4.48Å; L99-F106 HydrophobicContact CB-CD2 4.21Å; L99-F106 HydrophobicContact CB-CG 4.2Å; L99-F106 HydrophobicContact CD1-CE1 4.22Å; L99-F106 HydrophobicContact CD1-CZ 4.37Å; L99-F106 HydrophobicContact CD2-CD2 4.28Å; L99-F106 HydrophobicContact CD2-CE2 3.84Å; L99-F106 HydrophobicContact CD2-CZ 4.07Å; K103-F106 HydrophobicContact CB-CB 4.37Å; K103-F106 HydrophobicContact CB-CD2 4.14Å; K103-F106 WeakPolarHBondContact O-CB 3.36Å; K103-F106 PolarHBondContact O-N 3.32Å; F106-S108 PolarHBondContact O-N 3.15Å; F106-C109 WeakPolarHBondContact O-CB 3.13Å; F106-C109 PolarHBondContact O-N 2.94Å; F106-C109 VanDerWaalsContact O-N 3.11Å; F106-L110 HydrophobicContact CE1-CD1 4.38Å; F106-L110 HydrophobicContact CE1-CD2 3.84Å; F106-L110 HydrophobicContact CE1-CG 4.37Å; F106-L110 HydrophobicContact CZ-CD2 4.32Å; F106-L133 HydrophobicContact CB-CD2 4.27Å; F106-L133 HydrophobicContact CD1-CD1 3.69Å; F106-L133 HydrophobicContact CD1-CD2 4.15Å; F106-L133 HydrophobicContact CE1-CD1 4.17Å; F106-L133 HydrophobicContact CG-CD2 4.47Å; F106-V216 HydrophobicContact CE2-CG1 4.3Å; F106-V216 HydrophobicContact CZ-CG1 4Å; F106-L218 HydrophobicContact CE1-CD2 4.43Å; F106-L271 HydrophobicContact CE2-CD1 3.92Å
107G93.8Very high95Very high9 Ų944.1 Ų44.19%0.09326%0.262CS..G310 helixtrans-58-45.1178.200000113.1N105 C109 L110 D135N105-G107 VanDerWaalsContact C-N 3.29Å; N105-G107 PolarHBondContact O-N 3.18Å; G107-C109 PolarHBondContact O-N 3.36Å; G107-L110 VanDerWaalsContact O-CB 3.3Å; G107-L110 WeakPolarHBondContact O-CB 3.14Å; G107-L110 WeakPolarHBondContact O-CG 3.14Å; G107-L110 PolarHBondContact O-N 2.99Å; G107-D135 WeakPolarHBondContact CA-OD2 3.47Å
108S92.8Very high94.8Very high101 Ų10139.4 Ų39.471%0.70624%0.24SC*.G310 helixtrans-61.8-28.1177.5-52.20000112.9N105 F106 L110 G111N105-S108 PolarHBondContact O-N 3.18Å; N105-S108 VanDerWaalsContact O-N 3.12Å; F106-S108 PolarHBondContact O-N 3.15Å; S108-L110 PolarHBondContact O-N 3.13Å; S108-G111 PolarHBondContact O-N 3.11Å
109C95.1Very high94.6Very high13 Ų1336 Ų369%0.08823%0.228CC..G310 helixtrans-71-12.2176.4-65.90000113.8K103 N105 F106 G107 G111 G214 D215 V216K103-C109 WeakPolarHBondContact CE-SG 3.43Å; K103-C109 PolarHBondContact NZ-SG 3.18Å; K103-C109 VanDerWaalsContact NZ-SG 3.4Å; N105-C109 PolarHBondContact O-N 3.43Å; F106-C109 WeakPolarHBondContact O-CB 3.13Å; F106-C109 PolarHBondContact O-N 2.94Å; F106-C109 VanDerWaalsContact O-N 3.11Å; G107-C109 PolarHBondContact O-N 3.36Å; C109-G111 VanDerWaalsContact C-N 3.28Å; C109-G111 PolarHBondContact O-N 3.36Å; C109-G214 CarbonylContact O-C 3.53Å; C109-G214 WeakPolarHBondContact O-CA 3.48Å; C109-D215 HydrophobicContact CB-CB 4.29Å; C109-D215 PolarHBondContact O-N 3.31Å; C109-V216 HydrophobicContact CB-CB 4.28Å; C109-V216 HydrophobicContact CB-CG2 3.9Å; C109-V216 PolarHBondContact O-N 3.38Å
110L96.7Very high94.4Very high0 Ų036 Ų360%023%0.228CC..G310 helixtrans-80.9-5.9179.7-55.5179.6000113.1F106 G107 S108 G112 V113 A114 L130 T138 H212 V216 L218F106-L110 HydrophobicContact CE1-CD1 4.38Å; F106-L110 HydrophobicContact CE1-CD2 3.84Å; F106-L110 HydrophobicContact CE1-CG 4.37Å; F106-L110 HydrophobicContact CZ-CD2 4.32Å; G107-L110 VanDerWaalsContact O-CB 3.3Å; G107-L110 WeakPolarHBondContact O-CB 3.14Å; G107-L110 WeakPolarHBondContact O-CG 3.14Å; G107-L110 PolarHBondContact O-N 2.99Å; S108-L110 PolarHBondContact O-N 3.13Å; L110-G112 PolarHBondContact O-N 3.02Å; L110-G112 VanDerWaalsContact O-N 3.09Å; L110-V113 PolarHBondContact O-N 2.57Å; L110-V113 VanDerWaalsContact O-O 3.07Å; L110-A114 HydrophobicContact CD1-CB 4.46Å; L110-L130 HydrophobicContact CD1-CD2 3.57Å; L110-T138 HydrophobicContact CB-CG2 4.39Å; L110-T138 HydrophobicContact CD1-CG2 4.03Å; L110-H212 PolarHBondContact O-CE1 3.2Å; L110-H212 PolarHBondContact O-NE2 3.08Å; L110-V216 HydrophobicContact CD2-CB 4.24Å; L110-V216 HydrophobicContact CD2-CG1 4.25Å; L110-V216 WeakPolarHBondContact CD2-O 3.45Å; L110-L218 HydrophobicContact CD1-CD2 4.28Å; L110-L218 HydrophobicContact CD2-CB 3.68Å; L110-L218 HydrophobicContact CD2-CD2 4.41Å
111G95.2Very high94.3Very high41 Ų4133.7 Ų33.742%0.42322%0.216SC..THydrogen-bonded Turntrans58.528.2179.200000113.9S108 C109 V113S108-G111 PolarHBondContact O-N 3.11Å; C109-G111 VanDerWaalsContact C-N 3.28Å; C109-G111 PolarHBondContact O-N 3.36Å; G111-V113 PolarHBondContact O-N 2.73Å
112G96.5Very high94.3Very high30 Ų3026.9 Ų26.931%0.30919%0.185SC..THydrogen-bonded Turntrans81.72.9176.700000115.8L110 T138 K139L110-G112 PolarHBondContact O-N 3.02Å; L110-G112 VanDerWaalsContact O-N 3.09Å; G112-T138 WeakPolarHBondContact O-CA 3.24Å; G112-K139 PolarHBondContact O-N 3.4Å
113V97.3Very high94.5Very high18 Ų1823.4 Ų23.411%0.10916%0.163CC..EExtended strand (participates in β ladder)trans-142.1140.6178.1-59.90000112.9L110 G111 Y115 K139 H212L110-V113 PolarHBondContact O-N 2.57Å; L110-V113 VanDerWaalsContact O-O 3.07Å; G111-V113 PolarHBondContact O-N 2.73Å; V113-Y115 HydrophobicContact CG2-CE2 4.03Å; V113-K139 WeakPolarHBondContact CA-O 3.49Å; V113-H212 PolarHBondContact O-CE1 3.44Å
114A98.1Very high94.8Very high0 Ų021.2 Ų21.20%015%0.154CC..EExtended strand (participates in β ladder)trans-134.1154.6169.800000109.9L110 L126 T138 K139 R141 L218L110-A114 HydrophobicContact CD1-CB 4.46Å; A114-L126 HydrophobicContact CB-CD1 3.89Å; A114-L126 HydrophobicContact CB-CD2 3.96Å; A114-L126 HydrophobicContact CB-CG 4.44Å; A114-T138 HydrophobicContact CB-CG2 3.9Å; A114-K139 PolarHBondContact N-O 3.1Å; A114-R141 PolarHBondContact O-N 3.29Å; A114-L218 HydrophobicContact CB-CB 4.2Å; A114-L218 HydrophobicContact CB-CD2 4.18Å; A114-L218 HydrophobicContact CB-CG 4.29Å
115Y98.3Very high95.2Very high0 Ų017.4 Ų17.40%012%0.122CC..EExtended strand (participates in β ladder)trans-118.3149.2-170.6-56.6-97.7000112.3V113 R141 Y179 L208 H212 L217 L218 L219 V220V113-Y115 HydrophobicContact CG2-CE2 4.03Å; Y115-R141 CarbonylContact C-O 3.59Å; Y115-R141 VanDerWaalsContact CA-O 3.24Å; Y115-R141 WeakPolarHBondContact CA-O 3.43Å; Y115-R141 HydrophobicContact CD1-CB 3.4Å; Y115-R141 HydrophobicContact CD1-CG 4.35Å; Y115-R141 HydrophobicContact CE1-CB 3.58Å; Y115-R141 HydrophobicContact CE1-CG 4.07Å; Y115-R141 HydrophobicContact CG-CB 4.19Å; Y115-R141 PolarHBondContact OH-NH1 3.48Å; Y115-R141 VanDerWaalsContact OH-NH1 3.11Å; Y115-Y179 AromaticContact CE1-CE2 3.86Å; Y115-Y179 HydrophobicContact CE1-CE2 3.86Å; Y115-Y179 AromaticContact CE1-CZ 3.88Å; Y115-L208 HydrophobicContact CD1-CD1 4.28Å; Y115-L208 HydrophobicContact CD1-CD2 3.45Å; Y115-L208 VanDerWaalsContact CD1-CD2 3.45Å; Y115-L208 HydrophobicContact CD2-CD2 4.34Å; Y115-L208 HydrophobicContact CE1-CD2 3.23Å; Y115-L208 HydrophobicContact CE2-CD2 4.16Å; Y115-L208 HydrophobicContact CG-CD1 4.21Å; Y115-L208 HydrophobicContact CG-CD2 4.02Å; Y115-H212 AromaticContact CE2-ND1 3.92Å; Y115-L217 HydrophobicContact CD2-CD1 3.38Å; Y115-L217 HydrophobicContact CE2-CD1 3.41Å; Y115-L217 VanDerWaalsContact CE2-CD1 3.41Å; Y115-L218 PolarHBondContact N-O 3.19Å; Y115-L219 HydrophobicContact CD2-CD2 4.06Å; Y115-L219 HydrophobicContact CG-CD2 4.17Å; Y115-L219 CarbonylContact O-C 3.58Å; Y115-L219 WeakPolarHBondContact O-CA 3.29Å; Y115-V220 PolarHBondContact O-N 3.36Å
116C97.7Very high95.6Very high0 Ų011.9 Ų11.90%09%0.092CC..EExtended strand (participates in β ladder)trans-145.3158.9173.463.30000113.1C122 L126 I140 R141 E143 V220C116-C122 HydrophobicContact CB-CB 4.28Å; C116-L126 HydrophobicContact CB-CB 4.42Å; C116-L126 HydrophobicContact CB-CD2 3.85Å; C116-I140 VanDerWaalsContact SG-CG2 3.56Å; C116-R141 PolarHBondContact N-O 3.37Å; C116-E143 PolarHBondContact O-N 3.49Å; C116-V220 CarbonylContact C-O 3.55Å; C116-V220 WeakPolarHBondContact CA-O 3.19Å; C116-V220 HydrophobicContact CB-CB 4.05Å; C116-V220 WeakPolarHBondContact CB-O 3.49Å
117S95.3Very high95.7Very high0 Ų013.1 Ų13.10%010%0.099CC..  trans-58.4149.5163.7169.90000110.8C119 L146 V220S117-C119 PolarHBondContact O-N 3.24Å; S117-C119 VanDerWaalsContact O-N 3.15Å; S117-C119 PolarHBondContact OG-N 3.42Å; S117-C119 PolarHBondContact OG-SG 2.94Å; S117-C119 VanDerWaalsContact OG-SG 3.33Å; S117-L146 VanDerWaalsContact CB-O 3.27Å; S117-L146 WeakPolarHBondContact CB-O 3.17Å; S117-L146 PolarHBondContact OG-O 3.05Å; S117-V220 PolarHBondContact N-O 3.48Å
118P93.1Very high95.8Very high5 Ų513.6 Ų13.63%0.03210%0.1CC..SBendtrans-67.2-8.2176.831.4-39.9000114.5L120 I123 I142 A147 F161P118-L120 PolarHBondContact O-N 3.17Å; P118-I123 WeakPolarHBondContact O-CD1 3.22Å; P118-I142 HydrophobicContact CB-CG2 3.76Å; P118-A147 HydrophobicContact CG-CB 3.94Å; P118-F161 HydrophobicContact CB-CB 4.14Å; P118-F161 HydrophobicContact CB-CD1 3.77Å; P118-F161 HydrophobicContact CB-CD2 3.84Å; P118-F161 HydrophobicContact CB-CE1 4.08Å; P118-F161 HydrophobicContact CB-CE2 4.14Å; P118-F161 HydrophobicContact CB-CG 3.64Å; P118-F161 HydrophobicContact CB-CZ 4.25Å; P118-F161 HydrophobicContact CG-CD1 4.1Å; P118-F161 HydrophobicContact CG-CD2 3.87Å; P118-F161 HydrophobicContact CG-CE1 3.9Å; P118-F161 HydrophobicContact CG-CE2 3.65Å; P118-F161 HydrophobicContact CG-CG 4.09Å; P118-F161 HydrophobicContact CG-CZ 3.67Å; P118-F161 VanDerWaalsContact O-CD1 3.23Å; P118-F161 WeakPolarHBondContact O-CD1 3.11Å
119C91.3Very high96.1Very high10 Ų108.8 Ų8.87%0.0687%0.067CC..SBendtrans-58.7133.6173.4-58.60000111.1D81 S117 C121 C122 I123D81-C119 VanDerWaalsContact OD1-CA 3.32Å; D81-C119 WeakPolarHBondContact OD1-CA 3.29Å; S117-C119 PolarHBondContact O-N 3.24Å; S117-C119 VanDerWaalsContact O-N 3.15Å; S117-C119 PolarHBondContact OG-N 3.42Å; S117-C119 PolarHBondContact OG-SG 2.94Å; S117-C119 VanDerWaalsContact OG-SG 3.33Å; C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 2.63Å; C119-C122 HydrophobicContact CB-CB 4.32Å; C119-C122 WeakPolarHBondContact O-CA 3.28Å; C119-C122 WeakPolarHBondContact O-CB 3.49Å; C119-C122 PolarHBondContact O-N 3.15Å; C119-I123 PolarHBondContact O-N 2.88Å; C119-I123 VanDerWaalsContact O-N 3.09Å
120L92.3Very high96.2Very high0 Ų08.2 Ų8.20%06%0.063CC..Hα-helixtrans-53.6-42.3-179.4179.260.3000112.5P69 F78 D81 P83 P118 C122 I123 Q124 Y162 L170P69-L120 HydrophobicContact CG-CD2 4.5Å; F78-L120 HydrophobicContact CD1-CD2 4.13Å; F78-L120 HydrophobicContact CE1-CD2 3.62Å; D81-L120 VanDerWaalsContact CG-N 3.31Å; D81-L120 PolarHBondContact OD1-N 3.13Å; D81-L120 VanDerWaalsContact OD2-CB 3.3Å; D81-L120 WeakPolarHBondContact OD2-CB 3.33Å; D81-L120 PolarHBondContact OD2-N 2.88Å; D81-L120 VanDerWaalsContact OD2-N 3.11Å; P83-L120 HydrophobicContact CB-CD2 3.81Å; P83-L120 HydrophobicContact CB-CG 4.48Å; P118-L120 PolarHBondContact O-N 3.17Å; L120-C122 VanDerWaalsContact C-N 3.29Å; L120-C122 PolarHBondContact O-N 3.39Å; L120-I123 PolarHBondContact O-N 2.9Å; L120-Q124 HydrophobicContact CD1-CG 3.99Å; L120-Q124 HydrophobicContact CG-CG 4.33Å; L120-Q124 WeakPolarHBondContact O-CB 3.09Å; L120-Q124 VanDerWaalsContact O-CG 3.31Å; L120-Q124 WeakPolarHBondContact O-CG 3.13Å; L120-Q124 PolarHBondContact O-N 2.93Å; L120-Y162 HydrophobicContact CD1-CD2 4.22Å; L120-Y162 HydrophobicContact CD1-CE2 3.97Å; L120-Y162 HydrophobicContact CD2-CE2 3.94Å; L120-Y162 HydrophobicContact CG-CE2 4.39Å; L120-L170 HydrophobicContact CD1-CD1 3.54Å; L120-L170 HydrophobicContact CD1-CD2 4.25Å
121C94Very high96.2Very high4 Ų411.2 Ų11.23%0.0278%0.081CC..Hα-helixtrans-64.4-32.4178620000112.8L84 C119 T125 Q222L84-C121 HydrophobicContact CD2-CB 3.81Å; L84-C121 HydrophobicContact CG-CB 4.44Å; C119-C121 VanDerWaalsContact C-N 3.25Å; C119-C121 PolarHBondContact O-N 2.63Å; C121-T125 WeakPolarHBondContact O-CB 2.95Å; C121-T125 PolarHBondContact O-N 2.99Å; C121-T125 PolarHBondContact O-OG1 3.35Å; C121-Q222 PolarHBondContact SG-NE2 2.81Å
122C96.4Very high96.3Very high0 Ų012 Ų120%08%0.076CC..Hα-helixtrans-70.2-45.6174.8-65.20000111.2C116 C119 L120 T125 L126 V220 Q222C116-C122 HydrophobicContact CB-CB 4.28Å; C119-C122 HydrophobicContact CB-CB 4.32Å; C119-C122 WeakPolarHBondContact O-CA 3.28Å; C119-C122 WeakPolarHBondContact O-CB 3.49Å; C119-C122 PolarHBondContact O-N 3.15Å; L120-C122 VanDerWaalsContact C-N 3.29Å; L120-C122 PolarHBondContact O-N 3.39Å; C122-T125 PolarHBondContact O-N 2.84Å; C122-L126 PolarHBondContact O-N 3.33Å; C122-V220 HydrophobicContact CB-CG1 4.06Å; C122-V220 WeakPolarHBondContact O-CG1 2.83Å; C122-Q222 PolarHBondContact SG-NE2 3.05Å
123I95.9Very high96.2Very high1 Ų111.3 Ų11.31%0.0057%0.065CC..Hα-helixtrans-60.9-48.8178.2-59.5169000110P118 C119 L120 T125 L126 D127 I142 F167 I172P118-I123 WeakPolarHBondContact O-CD1 3.22Å; C119-I123 PolarHBondContact O-N 2.88Å; C119-I123 VanDerWaalsContact O-N 3.09Å; L120-I123 PolarHBondContact O-N 2.9Å; I123-T125 VanDerWaalsContact C-N 3.35Å; I123-T125 PolarHBondContact O-N 2.97Å; I123-L126 PolarHBondContact O-N 2.85Å; I123-D127 WeakPolarHBondContact O-CB 3.31Å; I123-D127 PolarHBondContact O-N 2.82Å; I123-I142 HydrophobicContact CD1-CD1 3.8Å; I123-I142 HydrophobicContact CD1-CG1 4.34Å; I123-I142 HydrophobicContact CG1-CD1 4.31Å; I123-I142 HydrophobicContact CG1-CG1 4.39Å; I123-F167 HydrophobicContact CD1-CE1 3.68Å; I123-F167 HydrophobicContact CD1-CZ 3.87Å; I123-F167 HydrophobicContact CG2-CE1 4.17Å; I123-I172 HydrophobicContact CG2-CD1 3.83Å
124Q95.9Very high96Very high16 Ų1613.1 Ų13.18%0.0759%0.087CC..Hα-helixtrans-64.8-37.5177.7-72.5178.4-24.800112.5L84 L120 L126 D127 V128 I172L84-Q124 HydrophobicContact CD1-CB 3.62Å; L84-Q124 HydrophobicContact CG-CB 3.77Å; L120-Q124 HydrophobicContact CD1-CG 3.99Å; L120-Q124 HydrophobicContact CG-CG 4.33Å; L120-Q124 WeakPolarHBondContact O-CB 3.09Å; L120-Q124 VanDerWaalsContact O-CG 3.31Å; L120-Q124 WeakPolarHBondContact O-CG 3.13Å; L120-Q124 PolarHBondContact O-N 2.93Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-D127 PolarHBondContact O-N 3.3Å; Q124-V128 WeakPolarHBondContact O-CB 3.28Å; Q124-V128 VanDerWaalsContact O-CG2 3.23Å; Q124-V128 WeakPolarHBondContact O-CG2 3.48Å; Q124-V128 PolarHBondContact O-N 2.92Å; Q124-I172 HydrophobicContact CG-CD1 4.1Å
125T98.1Very high95.8Very high0 Ų013.9 Ų13.90%09%0.091CC..Hα-helixtrans-60-49.2175.5-66.70000109.8A11 C121 C122 I123 V128 L129 V220 L253A11-T125 HydrophobicContact CB-CG2 4.4Å; A11-T125 PolarHBondContact N-OG1 3.44Å; C121-T125 WeakPolarHBondContact O-CB 2.95Å; C121-T125 PolarHBondContact O-N 2.99Å; C121-T125 PolarHBondContact O-OG1 3.35Å; C122-T125 PolarHBondContact O-N 2.84Å; I123-T125 VanDerWaalsContact C-N 3.35Å; I123-T125 PolarHBondContact O-N 2.97Å; T125-V128 PolarHBondContact O-N 3.08Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 HydrophobicContact CG2-CG 4.46Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.24Å; T125-L129 WeakPolarHBondContact O-CG 3.47Å; T125-L129 PolarHBondContact O-N 2.96Å; T125-V220 HydrophobicContact CG2-CG1 3.7Å; T125-V220 HydrophobicContact CG2-CG2 4.45Å; T125-L253 HydrophobicContact CG2-CD2 3.99Å
126L98.1Very high95.4Very high0 Ų019.5 Ų19.50%012%0.117CC..Hα-helixtrans-65.6-41.6-179.3-176.355.3000112.1A114 C116 C122 I123 Q124 L129 L130 I140 L218 V220A114-L126 HydrophobicContact CB-CD1 3.89Å; A114-L126 HydrophobicContact CB-CD2 3.96Å; A114-L126 HydrophobicContact CB-CG 4.44Å; C116-L126 HydrophobicContact CB-CB 4.42Å; C116-L126 HydrophobicContact CB-CD2 3.85Å; C122-L126 PolarHBondContact O-N 3.33Å; I123-L126 PolarHBondContact O-N 2.85Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; L126-L129 PolarHBondContact O-N 3.42Å; L126-L130 HydrophobicContact CD1-CD1 4.03Å; L126-L130 HydrophobicContact CD1-CD2 4.46Å; L126-L130 HydrophobicContact CD1-CG 3.98Å; L126-L130 HydrophobicContact CG-CD1 4.01Å; L126-L130 HydrophobicContact CG-CG 4.39Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.31Å; L126-I140 HydrophobicContact CB-CD1 4.23Å; L126-I140 HydrophobicContact CD2-CB 4.33Å; L126-I140 HydrophobicContact CD2-CD1 4.29Å; L126-I140 HydrophobicContact CD2-CG1 3.83Å; L126-I140 HydrophobicContact CD2-CG2 3.93Å; L126-I140 HydrophobicContact CG-CD1 3.99Å; L126-I140 HydrophobicContact CG-CG1 3.92Å; L126-L218 HydrophobicContact CD1-CD2 3.57Å; L126-L218 HydrophobicContact CD1-CG 4.12Å; L126-V220 HydrophobicContact CB-CB 4.26Å; L126-V220 HydrophobicContact CB-CG2 3.91Å; L126-V220 HydrophobicContact CD1-CG2 3.93Å; L126-V220 HydrophobicContact CG-CG2 4.37Å
127D97.2Very high95.2Very high28 Ų2826.6 Ų26.615%0.1515%0.15CC..Hα-helixtrans-63-44177.7-177.861.6000112.6I123 Q124 L129 T131 I140 I172 R174I123-D127 WeakPolarHBondContact O-CB 3.31Å; I123-D127 PolarHBondContact O-N 2.82Å; Q124-D127 PolarHBondContact O-N 3.3Å; D127-L129 VanDerWaalsContact C-N 3.35Å; D127-T131 VanDerWaalsContact O-CB 3.28Å; D127-T131 WeakPolarHBondContact O-CB 3.23Å; D127-T131 PolarHBondContact O-N 3.02Å; D127-T131 PolarHBondContact O-OG1 3.36Å; D127-I140 HydrophobicContact CB-CD1 3.81Å; D127-I172 HydrophobicContact CB-CD1 4.45Å; D127-I172 HydrophobicContact CB-CG2 4.09Å; D127-R174 WeakPolarHBondContact OD1-CD 3.49Å; D127-R174 IonicContact OD1-NE 3.41Å; D127-R174 PolarHBondContact OD1-NE 3.13Å
128V97.2Very high95.3Very high19 Ų1926.7 Ų26.712%0.11515%0.151CC..Hα-helixtrans-65-41.7175.4177.90000110.4K89 C92 K93 Q124 T125 T131 N132K89-V128 HydrophobicContact CG-CG2 4.28Å; C92-V128 HydrophobicContact CB-CB 3.92Å; C92-V128 HydrophobicContact CB-CG1 3.43Å; C92-V128 VanDerWaalsContact CB-CG1 3.43Å; K93-V128 HydrophobicContact CG-CG1 4.3Å; Q124-V128 WeakPolarHBondContact O-CB 3.28Å; Q124-V128 VanDerWaalsContact O-CG2 3.23Å; Q124-V128 WeakPolarHBondContact O-CG2 3.48Å; Q124-V128 PolarHBondContact O-N 2.92Å; T125-V128 PolarHBondContact O-N 3.08Å; V128-T131 PolarHBondContact O-N 2.91Å; V128-N132 PolarHBondContact O-N 3.28Å; V128-N132 VanDerWaalsContact O-N 3.1Å; V128-N132 PolarHBondContact O-ND2 3.26Å
129L97.9Very high95.5Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-57.7-56.6177.2-76.5171.4000111I8 C92 A95 S96 L99 T125 L126 D127 T131 N132 L133 V220I8-L129 HydrophobicContact CD1-CD1 4.2Å; C92-L129 HydrophobicContact CB-CD2 4.43Å; C92-L129 WeakPolarHBondContact O-CD2 3.32Å; A95-L129 HydrophobicContact CB-CD2 3.82Å; S96-L129 VanDerWaalsContact OG-CA 3.24Å; S96-L129 WeakPolarHBondContact OG-CA 3.36Å; S96-L129 WeakPolarHBondContact OG-CD2 3.32Å; S96-L129 PolarHBondContact OG-O 2.8Å; L99-L129 HydrophobicContact CD1-CD2 4.44Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 HydrophobicContact CG2-CG 4.46Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.24Å; T125-L129 WeakPolarHBondContact O-CG 3.47Å; T125-L129 PolarHBondContact O-N 2.96Å; L126-L129 PolarHBondContact O-N 3.42Å; D127-L129 VanDerWaalsContact C-N 3.35Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 3.27Å; L129-N132 PolarHBondContact O-N 3.38Å; L129-N132 VanDerWaalsContact O-N 3.15Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 2.95Å; L129-V220 HydrophobicContact CD1-CG2 4.28Å
130L97.7Very high95.8Very high0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-60.7-40.7-177.8-66.5173.5000112.3L110 L126 N132 L133 G134 D135 T138 I140L110-L130 HydrophobicContact CD1-CD2 3.57Å; L126-L130 HydrophobicContact CD1-CD1 4.03Å; L126-L130 HydrophobicContact CD1-CD2 4.46Å; L126-L130 HydrophobicContact CD1-CG 3.98Å; L126-L130 HydrophobicContact CG-CD1 4.01Å; L126-L130 HydrophobicContact CG-CG 4.39Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.31Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.11Å; L130-L133 HydrophobicContact CD2-CD1 4.28Å; L130-L133 PolarHBondContact O-N 3.37Å; L130-G134 PolarHBondContact O-N 3.46Å; L130-D135 PolarHBondContact O-N 2.93Å; L130-T138 HydrophobicContact CD1-CG2 3.9Å; L130-T138 HydrophobicContact CD2-CG2 3.82Å; L130-I140 HydrophobicContact CD1-CD1 4.22Å; L130-I140 HydrophobicContact CD1-CG1 3.74Å
131T96.5Very high96.1Very high63 Ų6333.2 Ų33.239%0.38718%0.176SC..Hα-helixtrans-60-42.1176.8-61.60000111.9D127 V128 L129 G134 R174D127-T131 VanDerWaalsContact O-CB 3.28Å; D127-T131 WeakPolarHBondContact O-CB 3.23Å; D127-T131 PolarHBondContact O-N 3.02Å; D127-T131 PolarHBondContact O-OG1 3.36Å; V128-T131 PolarHBondContact O-N 2.91Å; L129-T131 VanDerWaalsContact C-N 3.32Å; L129-T131 PolarHBondContact O-N 3.27Å; T131-G134 PolarHBondContact O-N 2.94Å; T131-R174 PolarHBondContact OG1-NH2 2.96Å; T131-R174 VanDerWaalsContact OG1-NH2 3.11Å
132N96.7Very high96.2Very high58 Ų5834.3 Ų34.331%0.3118%0.182SC..Hα-helixtrans-85.9-10.7-179.3-67.3-90.7000113.4V128 L129 L130 G134V128-N132 PolarHBondContact O-N 3.28Å; V128-N132 VanDerWaalsContact O-N 3.1Å; V128-N132 PolarHBondContact O-ND2 3.26Å; L129-N132 PolarHBondContact O-N 3.38Å; L129-N132 VanDerWaalsContact O-N 3.15Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.11Å; N132-G134 PolarHBondContact O-N 3.38Å
133L96.1Very high96.2Very high15 Ų1534.3 Ų34.38%0.07918%0.182CC..THydrogen-bonded Turntrans-74.8-6.8164.5-71.4171.4000112.3L99 L100 F106 L129 L130 D135L99-L133 HydrophobicContact CB-CD2 3.94Å; L99-L133 HydrophobicContact CD1-CD2 4.49Å; L100-L133 HydrophobicContact CD1-CD2 4.48Å; L100-L133 HydrophobicContact CD2-CD2 3.84Å; L100-L133 HydrophobicContact CG-CD2 3.74Å; F106-L133 HydrophobicContact CB-CD2 4.27Å; F106-L133 HydrophobicContact CD1-CD1 3.69Å; F106-L133 HydrophobicContact CD1-CD2 4.15Å; F106-L133 HydrophobicContact CE1-CD1 4.17Å; F106-L133 HydrophobicContact CG-CD2 4.47Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 2.95Å; L130-L133 HydrophobicContact CD2-CD1 4.28Å; L130-L133 PolarHBondContact O-N 3.37Å; L133-D135 HydrophobicContact CB-CB 4.34Å; L133-D135 PolarHBondContact O-N 3.3Å
134G93.2Very high96.1Very high56 Ų5634.9 Ų34.958%0.57719%0.185SC*.THydrogen-bonded Turntrans72.110.6-172.700000113.5L130 T131 N132L130-G134 PolarHBondContact O-N 3.46Å; T131-G134 PolarHBondContact O-N 2.94Å; N132-G134 PolarHBondContact O-N 3.38Å
135D93Very high96Very high16 Ų1634.1 Ų34.19%0.08618%0.182CC..  trans-85.6118.2-176.9-173.3-10.2000110.5G107 L130 L133 E137 T138 R174G107-D135 WeakPolarHBondContact CA-OD2 3.47Å; L130-D135 PolarHBondContact O-N 2.93Å; L133-D135 HydrophobicContact CB-CB 4.34Å; L133-D135 PolarHBondContact O-N 3.3Å; D135-E137 PolarHBondContact OD1-N 3.25Å; D135-T138 PolarHBondContact OD1-N 2.91Å; D135-T138 PolarHBondContact OD1-OG1 2.78Å; D135-T138 WeakPolarHBondContact OD2-CB 3.27Å; D135-T138 PolarHBondContact OD2-OG1 2.97Å; D135-R174 PolarHBondContact O-NH1 2.84Å; D135-R174 PolarHBondContact O-NH2 2.82Å
136Q90.8Very high95.8Very high119 Ų11934.1 Ų34.156%0.55618%0.182SC*.SBendtrans-105.3-14.8177.5-57.8-56.7-42.900112.9
137E93.8Very high95.5Very high148 Ų14834.2 Ų34.269%0.69218%0.183SC*.SBendtrans-91.7-36.1-171.8-61.6-54.1128.700111.3D135 K139D135-E137 PolarHBondContact OD1-N 3.25Å; E137-K139 PolarHBondContact O-N 3.15Å
138T97.2Very high94.9Very high2 Ų233.3 Ų33.31%0.01218%0.178CC..PPolyproline II helixtrans-64.9122.8-176.6-67.80000112.2L110 G112 A114 L130 D135L110-T138 HydrophobicContact CB-CG2 4.39Å; L110-T138 HydrophobicContact CD1-CG2 4.03Å; G112-T138 WeakPolarHBondContact O-CA 3.24Å; A114-T138 HydrophobicContact CB-CG2 3.9Å; L130-T138 HydrophobicContact CD1-CG2 3.9Å; L130-T138 HydrophobicContact CD2-CG2 3.82Å; D135-T138 PolarHBondContact OD1-N 2.91Å; D135-T138 PolarHBondContact OD1-OG1 2.78Å; D135-T138 WeakPolarHBondContact OD2-CB 3.27Å; D135-T138 PolarHBondContact OD2-OG1 2.97Å
139K97.5Very high93.7Very high90 Ų9033.1 Ų33.139%0.39118%0.175SC..EExtended strand (participates in β ladder)trans-88.2146.6174.1-55.1-59.8-179.1-168.40111.8G112 V113 A114 E137 R174 D176G112-K139 PolarHBondContact O-N 3.4Å; V113-K139 WeakPolarHBondContact CA-O 3.49Å; A114-K139 PolarHBondContact N-O 3.1Å; E137-K139 PolarHBondContact O-N 3.15Å; K139-R174 CarbonylContact C-O 3.45Å; K139-R174 VanDerWaalsContact CA-O 3.27Å; K139-R174 WeakPolarHBondContact CA-O 3.29Å; K139-D176 HydrophobicContact CB-CB 3.86Å
140I97.6Very high92.2Very high0 Ų033.6 Ų33.60%018%0.178CC..EExtended strand (participates in β ladder)trans-89.3118.8174.1-67.2178.1000109.2C116 L126 D127 L130 I142 I172 R174 V175 D176C116-I140 VanDerWaalsContact SG-CG2 3.56Å; L126-I140 HydrophobicContact CB-CD1 4.23Å; L126-I140 HydrophobicContact CD2-CB 4.33Å; L126-I140 HydrophobicContact CD2-CD1 4.29Å; L126-I140 HydrophobicContact CD2-CG1 3.83Å; L126-I140 HydrophobicContact CD2-CG2 3.93Å; L126-I140 HydrophobicContact CG-CD1 3.99Å; L126-I140 HydrophobicContact CG-CG1 3.92Å; D127-I140 HydrophobicContact CB-CD1 3.81Å; L130-I140 HydrophobicContact CD1-CD1 4.22Å; L130-I140 HydrophobicContact CD1-CG1 3.74Å; I140-I142 HydrophobicContact CG2-CG1 4.26Å; I140-I172 HydrophobicContact CD1-CG2 4.47Å; I140-R174 HydrophobicContact CD1-CG 3.7Å; I140-R174 HydrophobicContact CG1-CG 3.85Å; I140-R174 PolarHBondContact N-O 3.39Å; I140-V175 HydrophobicContact CB-CG2 4.49Å; I140-V175 CarbonylContact O-C 3.51Å; I140-V175 WeakPolarHBondContact O-CA 3.26Å; I140-D176 PolarHBondContact O-N 2.97Å
141R97.1Very high90.6Very high62 Ų6238.2 Ų38.223%0.23420%0.203CC..EExtended strand (participates in β ladder)trans-100.8121.1172.9-71.1-178.1165.1179-1.4109.7A114 Y115 C116 D176 Y179A114-R141 PolarHBondContact O-N 3.29Å; Y115-R141 CarbonylContact C-O 3.59Å; Y115-R141 VanDerWaalsContact CA-O 3.24Å; Y115-R141 WeakPolarHBondContact CA-O 3.43Å; Y115-R141 HydrophobicContact CD1-CB 3.4Å; Y115-R141 HydrophobicContact CD1-CG 4.35Å; Y115-R141 HydrophobicContact CE1-CB 3.58Å; Y115-R141 HydrophobicContact CE1-CG 4.07Å; Y115-R141 HydrophobicContact CG-CB 4.19Å; Y115-R141 PolarHBondContact OH-NH1 3.48Å; Y115-R141 VanDerWaalsContact OH-NH1 3.11Å; C116-R141 PolarHBondContact N-O 3.37Å; R141-D176 HydrophobicContact CG-CB 3.82Å; R141-D176 IonicContact CZ-OD2 3.31Å; R141-D176 IonicContact NE-OD2 3.8Å; R141-D176 PolarHBondContact NE-OD2 3.32Å; R141-D176 IonicContact NH2-OD2 3.75Å; R141-D176 PolarHBondContact NH2-OD2 3.15Å; R141-Y179 HydrophobicContact CB-CD1 3.77Å; R141-Y179 HydrophobicContact CB-CD2 4.05Å; R141-Y179 HydrophobicContact CB-CE1 3.99Å; R141-Y179 HydrophobicContact CB-CE2 4.26Å; R141-Y179 HydrophobicContact CB-CG 3.79Å; R141-Y179 HydrophobicContact CG-CD1 4.18Å; R141-Y179 HydrophobicContact CG-CD2 3.75Å; R141-Y179 HydrophobicContact CG-CE2 4.31Å; R141-Y179 HydrophobicContact CG-CG 3.67Å
142I96.1Very high88.9Confident28 Ų2836.1 Ų36.114%0.14419%0.188CC..EExtended strand (participates in β ladder)trans-91.4115.5-179-60.1172.2000107.8P118 I123 I140 P144 F167 V175 Y179P118-I142 HydrophobicContact CB-CG2 3.76Å; I123-I142 HydrophobicContact CD1-CD1 3.8Å; I123-I142 HydrophobicContact CD1-CG1 4.34Å; I123-I142 HydrophobicContact CG1-CD1 4.31Å; I123-I142 HydrophobicContact CG1-CG1 4.39Å; I140-I142 HydrophobicContact CG2-CG1 4.26Å; I142-P144 WeakPolarHBondContact O-CD 3.26Å; I142-F167 HydrophobicContact CD1-CD2 4.29Å; I142-F167 HydrophobicContact CD1-CE1 3.98Å; I142-F167 HydrophobicContact CD1-CE2 3.27Å; I142-F167 HydrophobicContact CD1-CZ 3.11Å; I142-V175 HydrophobicContact CD1-CG1 3.82Å; I142-V175 HydrophobicContact CD1-CG2 4.46Å; I142-V175 HydrophobicContact CG1-CG1 4.32Å; I142-Y179 WeakPolarHBondContact O-CD1 3.4Å; I142-Y179 VanDerWaalsContact O-CE1 3.26Å; I142-Y179 WeakPolarHBondContact O-CE1 3.4Å
143E96.4Very high87.3Confident0 Ų036.8 Ų36.80%019%0.19CC..  trans-110.6103.5-177.4178.451.2-117.500109.6C116 G145 L146 Y179 P181 I182 F183 V204 L208C116-E143 PolarHBondContact O-N 3.49Å; E143-G145 PolarHBondContact O-N 3.47Å; E143-G145 VanDerWaalsContact O-N 3.12Å; E143-G145 WeakPolarHBondContact OE1-CA 3.46Å; E143-G145 PolarHBondContact OE1-N 3.36Å; E143-L146 HydrophobicContact CB-CD1 4Å; E143-L146 HydrophobicContact CB-CG 4.06Å; E143-L146 HydrophobicContact CG-CD1 4.31Å; E143-L146 HydrophobicContact CG-CG 3.92Å; E143-L146 WeakPolarHBondContact O-CB 3.47Å; E143-L146 PolarHBondContact O-N 3.46Å; E143-Y179 HydrophobicContact CB-CE1 4.41Å; E143-Y179 PolarHBondContact OE2-OH 3.21Å; E143-P181 WeakPolarHBondContact OE2-CA 3.46Å; E143-I182 PolarHBondContact OE2-N 3.29Å; E143-F183 WeakPolarHBondContact OE1-CB 3.3Å; E143-F183 PolarHBondContact OE1-N 3.4Å; E143-V204 HydrophobicContact CG-CG1 3.49Å; E143-V204 VanDerWaalsContact CG-CG1 3.49Å; E143-L208 HydrophobicContact CG-CD1 4.42Å
144P93.8Very high85.8Confident13 Ų1339.3 Ų39.38%0.08422%0.219CC..G310 helixtrans-57-26176.2-23.635.5000113.1I142 L146 A147 P181 F183 I185I142-P144 WeakPolarHBondContact O-CD 3.26Å; P144-L146 PolarHBondContact O-N 3.29Å; P144-L146 VanDerWaalsContact O-N 3.13Å; P144-A147 WeakPolarHBondContact O-CB 3.33Å; P144-A147 PolarHBondContact O-N 2.89Å; P144-P181 HydrophobicContact CG-CB 4.25Å; P144-P181 HydrophobicContact CG-CG 4.37Å; P144-F183 HydrophobicContact CB-CD1 4.31Å; P144-F183 WeakPolarHBondContact CB-O 3.48Å; P144-F183 WeakPolarHBondContact CD-O 3.33Å; P144-F183 WeakPolarHBondContact CG-O 3.24Å; P144-I185 HydrophobicContact CB-CB 4.01Å; P144-I185 HydrophobicContact CB-CD1 3.93Å; P144-I185 HydrophobicContact CG-CB 4.13Å
145G94.3Very high84.6Confident0 Ų039.1 Ų39.10%020%0.203CC..G310 helixtrans-58.8-19.2171.500000114.6E143 F183 R200 Q201E143-G145 PolarHBondContact O-N 3.47Å; E143-G145 VanDerWaalsContact O-N 3.12Å; E143-G145 WeakPolarHBondContact OE1-CA 3.46Å; E143-G145 PolarHBondContact OE1-N 3.36Å; G145-F183 VanDerWaalsContact CA-CB 3.47Å; G145-R200 PolarHBondContact O-NH1 3.1Å; G145-Q201 PolarHBondContact O-NE2 3.07Å
146L94.8Very high83.5Confident0 Ų047.6 Ų47.60%024%0.241CC..G310 helixtrans-94.76175.3-60.4177.5000113.4S117 E143 P144 V204 V205 L208 L219 T221 N225 I229S117-L146 VanDerWaalsContact CB-O 3.27Å; S117-L146 WeakPolarHBondContact CB-O 3.17Å; S117-L146 PolarHBondContact OG-O 3.05Å; E143-L146 HydrophobicContact CB-CD1 4Å; E143-L146 HydrophobicContact CB-CG 4.06Å; E143-L146 HydrophobicContact CG-CD1 4.31Å; E143-L146 HydrophobicContact CG-CG 3.92Å; E143-L146 WeakPolarHBondContact O-CB 3.47Å; E143-L146 PolarHBondContact O-N 3.46Å; P144-L146 PolarHBondContact O-N 3.29Å; P144-L146 VanDerWaalsContact O-N 3.13Å; L146-V204 HydrophobicContact CD2-CG1 4.14Å; L146-V204 HydrophobicContact CG-CG1 4.33Å; L146-V205 HydrophobicContact CD2-CG2 4.13Å; L146-L208 HydrophobicContact CD1-CD1 4.45Å; L146-L219 HydrophobicContact CD1-CD2 4.36Å; L146-L219 HydrophobicContact CD2-CD1 4.47Å; L146-T221 PolarHBondContact O-OG1 3.44Å; L146-N225 PolarHBondContact O-ND2 3.09Å; L146-I229 HydrophobicContact CD2-CD1 4.36Å
147A90.3Very high82.8Confident2 Ų246.3 Ų46.32%0.01723%0.231CC..PPolyproline II helixtrans-65145.8173.500000111.5P118 P144 R200 N225P118-A147 HydrophobicContact CG-CB 3.94Å; P144-A147 WeakPolarHBondContact O-CB 3.33Å; P144-A147 PolarHBondContact O-N 2.89Å; A147-R200 PolarHBondContact O-NH1 3.13Å; A147-R200 PolarHBondContact O-NH2 3.31Å; A147-R200 VanDerWaalsContact O-NH2 3.08Å; A147-N225 PolarHBondContact O-ND2 2.95Å
148D84.8Confident81.7Confident9 Ų940.5 Ų40.55%0.04821%0.209CC..PPolyproline II helixtrans-69.2170179.4-151.9-17.4000111.6H152 H153 Q222 P224 N225D148-H152 IonicContact OD2-CD2 2.67Å; D148-H153 WeakPolarHBondContact CB-NE2 3.44Å; D148-H153 IonicContact OD2-CE1 2.9Å; D148-H153 IonicContact OD2-NE2 3.2Å; D148-H153 PolarHBondContact OD2-NE2 3.47Å; D148-Q222 HydrophobicContact CB-CB 4.1Å; D148-Q222 HydrophobicContact CB-CG 3.94Å; D148-Q222 WeakPolarHBondContact OD2-CB 3.39Å; D148-P224 VanDerWaalsContact OD1-CB 3.29Å; D148-P224 WeakPolarHBondContact OD1-CB 3.37Å; D148-P224 WeakPolarHBondContact OD1-CG 3.42Å; D148-P224 WeakPolarHBondContact OD2-CG 3.46Å; D148-N225 PolarHBondContact OD1-OD1 3.28Å
149F72.8Confident80.8Confident14 Ų1441.4 Ų41.46%0.06122%0.215CC..PPolyproline II helixtrans-90.3131.3177.2-177.8-129.8000110.9D151 H152 E192 R194 F197F149-D151 VanDerWaalsContact C-N 3.3Å; F149-D151 HydrophobicContact CD1-CB 3.79Å; F149-D151 HydrophobicContact CE1-CB 3.37Å; F149-D151 WeakPolarHBondContact CE1-OD2 3.21Å; F149-D151 HydrophobicContact CZ-CB 3.91Å; F149-D151 VanDerWaalsContact CZ-OD2 3.22Å; F149-D151 WeakPolarHBondContact CZ-OD2 3.36Å; F149-D151 PolarHBondContact O-N 3.47Å; F149-H152 VanDerWaalsContact O-CB 3.24Å; F149-H152 WeakPolarHBondContact O-CB 3.46Å; F149-H152 PolarHBondContact O-N 2.97Å; F149-E192 HydrophobicContact CD2-CB 4.12Å; F149-E192 HydrophobicContact CE2-CB 3.86Å; F149-E192 WeakPolarHBondContact CE2-O 3.3Å; F149-E192 WeakPolarHBondContact CZ-O 3.18Å; F149-R194 HydrophobicContact CE1-CG 4.13Å; F149-F197 HydrophobicContact CB-CD1 4.39Å; F149-F197 HydrophobicContact CB-CD2 3.82Å; F149-F197 HydrophobicContact CB-CE2 4.05Å; F149-F197 HydrophobicContact CB-CG 3.99Å; F149-F197 HydrophobicContact CB-CZ 4.42Å; F149-F197 HydrophobicContact CG-CB 4.46Å; F149-F197 HydrophobicContact CG-CG 4.41Å
150V66.3Low80Confident10 Ų1039.6 Ų39.66%0.06121%0.211CC..Hα-helixtrans-56.1-40.6-170.7-175.60000113.9H152 H153 G154 F155 W188V150-H152 PolarHBondContact O-N 2.93Å; V150-H153 PolarHBondContact O-N 3.28Å; V150-G154 PolarHBondContact O-N 2.93Å; V150-G154 VanDerWaalsContact O-N 3.1Å; V150-F155 HydrophobicContact CG1-CB 4.47Å; V150-F155 WeakPolarHBondContact CG1-O 3.32Å; V150-W188 HydrophobicContact CB-CH2 4.41Å; V150-W188 HydrophobicContact CG2-CH2 2.92Å; V150-W188 HydrophobicContact CG2-CZ2 3.07Å; V150-W188 HydrophobicContact CG2-CZ3 4.02Å
151D64.6Low79.3Confident97 Ų9741.2 Ų41.252%0.51922%0.219SC..Hα-helixtrans-56-23.3179.2-71.5-1.1000112.2F149F149-D151 VanDerWaalsContact C-N 3.3Å; F149-D151 HydrophobicContact CD1-CB 3.79Å; F149-D151 HydrophobicContact CE1-CB 3.37Å; F149-D151 WeakPolarHBondContact CE1-OD2 3.21Å; F149-D151 HydrophobicContact CZ-CB 3.91Å; F149-D151 VanDerWaalsContact CZ-OD2 3.22Å; F149-D151 WeakPolarHBondContact CZ-OD2 3.36Å; F149-D151 PolarHBondContact O-N 3.47Å
152H59.9Low78.6Confident19 Ų1939.1 Ų39.19%0.08821%0.211CC..Hα-helixtrans-72-34.3178.2-159.267.1000113.1D148 F149 V150 P224 K248D148-H152 IonicContact OD2-CD2 2.67Å; F149-H152 VanDerWaalsContact O-CB 3.24Å; F149-H152 WeakPolarHBondContact O-CB 3.46Å; F149-H152 PolarHBondContact O-N 2.97Å; V150-H152 PolarHBondContact O-N 2.93Å; H152-P224 HydrophobicContact CB-CG 4.26Å; H152-P224 VanDerWaalsContact CD2-CG 3.42Å; H152-P224 WeakPolarHBondContact CD2-CG 3.46Å; H152-K248 WeakPolarHBondContact CE1-CG 3.41Å; H152-K248 WeakPolarHBondContact O-CE 3.48Å
153H62.7Low77.8Confident73 Ų7340.9 Ų40.934%0.33822%0.223SC..Hα-helixtrans-95.3-13.7-177.4-60.9-68.2000113.5D148 V150 F155D148-H153 WeakPolarHBondContact CB-NE2 3.44Å; D148-H153 IonicContact OD2-CE1 2.9Å; D148-H153 IonicContact OD2-NE2 3.2Å; D148-H153 PolarHBondContact OD2-NE2 3.47Å; V150-H153 PolarHBondContact O-N 3.28Å; H153-F155 HydrophobicContact CB-CD2 3.27Å; H153-F155 HydrophobicContact CB-CE2 3.39Å; H153-F155 HydrophobicContact CB-CG 3.98Å; H153-F155 HydrophobicContact CB-CZ 4.17Å; H153-F155 AromaticContact CG-CE2 3.99Å; H153-F155 PolarHBondContact O-N 2.94Å
154G65.8Low76.8Confident67 Ų6743 Ų4369%0.69124%0.236SC*.THydrogen-bonded Turntrans67.326.2-179.800000112.9V150V150-G154 PolarHBondContact O-N 2.93Å; V150-G154 VanDerWaalsContact O-N 3.1Å
155F68.1Low76Confident53 Ų5349.3 Ų49.323%0.23226%0.264CS..  trans-93.8153.4177.3-59.3-41.9000110.6I79 Y80 V150 H153 R157I79-F155 WeakPolarHBondContact O-CZ 3.37Å; Y80-F155 HydrophobicContact CD1-CB 4.26Å; Y80-F155 AromaticContact CD1-CD1 3.54Å; Y80-F155 HydrophobicContact CD1-CD1 3.54Å; Y80-F155 AromaticContact CD1-CD2 3.93Å; Y80-F155 HydrophobicContact CD1-CD2 3.93Å; Y80-F155 AromaticContact CD1-CE1 3.73Å; Y80-F155 HydrophobicContact CD1-CE1 3.73Å; Y80-F155 HydrophobicContact CD1-CE2 4.09Å; Y80-F155 AromaticContact CD1-CG 3.66Å; Y80-F155 HydrophobicContact CD1-CG 3.66Å; Y80-F155 HydrophobicContact CD1-CZ 4.02Å; Y80-F155 HydrophobicContact CE1-CB 4.43Å; Y80-F155 AromaticContact CE1-CD1 3.69Å; Y80-F155 HydrophobicContact CE1-CD1 3.69Å; Y80-F155 HydrophobicContact CE1-CE1 4.09Å; Y80-F155 HydrophobicContact CE1-CG 4.09Å; V150-F155 HydrophobicContact CG1-CB 4.47Å; V150-F155 WeakPolarHBondContact CG1-O 3.32Å; H153-F155 HydrophobicContact CB-CD2 3.27Å; H153-F155 HydrophobicContact CB-CE2 3.39Å; H153-F155 HydrophobicContact CB-CG 3.98Å; H153-F155 HydrophobicContact CB-CZ 4.17Å; H153-F155 AromaticContact CG-CE2 3.99Å; H153-F155 PolarHBondContact O-N 2.94Å; F155-R157 VanDerWaalsContact C-N 3.33Å
156E69.7Low75.4Confident193 Ų19350.7 Ų50.790%0.90227%0.271SS*.SBendtrans-85-13175.4-64179.5176.500112.3
157R75Confident74.9Confident92 Ų9250.9 Ų50.935%0.34727%0.272SS..SBendtrans-143.5162.5-175.867.5173.2-173.5101.7-10.8113.1E77 F155 T160E77-R157 VanDerWaalsContact CD-NH2 3.27Å; E77-R157 IonicContact OE1-NH2 3.77Å; E77-R157 PolarHBondContact OE1-NH2 3Å; E77-R157 IonicContact OE2-CZ 3.84Å; E77-R157 IonicContact OE2-NH1 3.92Å; E77-R157 IonicContact OE2-NH2 2.78Å; E77-R157 PolarHBondContact OE2-NH2 2.8Å; F155-R157 VanDerWaalsContact C-N 3.33Å; R157-T160 PolarHBondContact NH1-OG1 3.14Å; R157-T160 VanDerWaalsContact NH1-OG1 3.13Å
158A71.8Confident74.2Confident27 Ų2753.6 Ų53.622%0.22330%0.299CS..  trans-61.2144.4164.700000110.9W188A158-W188 HydrophobicContact CB-CE3 3.89Å; A158-W188 HydrophobicContact CB-CH2 3.47Å; A158-W188 VanDerWaalsContact CB-CH2 3.47Å; A158-W188 HydrophobicContact CB-CZ2 4.31Å; A158-W188 HydrophobicContact CB-CZ3 3.3Å
159P77Confident73.8Confident21 Ų2157.6 Ų57.614%0.13632%0.32CS..  trans-59.5150165.5-16.128.8000110.9Y80 D81 F161Y80-P159 WeakPolarHBondContact O-CG 3.29Å; D81-P159 HydrophobicContact CB-CB 3.96Å; P159-F161 HydrophobicContact CB-CD1 4.29Å; P159-F161 HydrophobicContact CB-CE1 3.9Å; P159-F161 HydrophobicContact CB-CZ 4.29Å; P159-F161 HydrophobicContact CG-CE1 3.95Å; P159-F161 HydrophobicContact CG-CZ 4.08Å; P159-F161 PolarHBondContact O-N 3.37Å
160T81.9Confident74.3Confident51 Ų5158 Ų5831%0.31332%0.323SS..  trans-78.799.6169.4-44.20000108F71 E77 R157F71-T160 WeakPolarHBondContact CZ-O 3.33Å; E77-T160 VanDerWaalsContact OE2-CB 3.25Å; E77-T160 WeakPolarHBondContact OE2-CB 3.48Å; E77-T160 PolarHBondContact OE2-OG1 3.31Å; R157-T160 PolarHBondContact NH1-OG1 3.14Å; R157-T160 VanDerWaalsContact NH1-OG1 3.13Å
161F82.3Confident75.2Confident35 Ų3566 Ų6615%0.15436%0.357CS..PPolyproline II helixtrans-72154.7-178.3-60.6-59.3000112.4P118 P159 T163 I185P118-F161 HydrophobicContact CB-CB 4.14Å; P118-F161 HydrophobicContact CB-CD1 3.77Å; P118-F161 HydrophobicContact CB-CD2 3.84Å; P118-F161 HydrophobicContact CB-CE1 4.08Å; P118-F161 HydrophobicContact CB-CE2 4.14Å; P118-F161 HydrophobicContact CB-CG 3.64Å; P118-F161 HydrophobicContact CB-CZ 4.25Å; P118-F161 HydrophobicContact CG-CD1 4.1Å; P118-F161 HydrophobicContact CG-CD2 3.87Å; P118-F161 HydrophobicContact CG-CE1 3.9Å; P118-F161 HydrophobicContact CG-CE2 3.65Å; P118-F161 HydrophobicContact CG-CG 4.09Å; P118-F161 HydrophobicContact CG-CZ 3.67Å; P118-F161 VanDerWaalsContact O-CD1 3.23Å; P118-F161 WeakPolarHBondContact O-CD1 3.11Å; P159-F161 HydrophobicContact CB-CD1 4.29Å; P159-F161 HydrophobicContact CB-CE1 3.9Å; P159-F161 HydrophobicContact CB-CZ 4.29Å; P159-F161 HydrophobicContact CG-CE1 3.95Å; P159-F161 HydrophobicContact CG-CZ 4.08Å; P159-F161 PolarHBondContact O-N 3.37Å; F161-T163 PolarHBondContact O-N 2.88Å; F161-I185 HydrophobicContact CD2-CD1 3.79Å; F161-I185 HydrophobicContact CD2-CG1 4.44Å; F161-I185 HydrophobicContact CE2-CD1 3.69Å
162Y81.6Confident76.5Confident17 Ų1761.7 Ų61.77%0.06733%0.334CS..PPolyproline II helixtrans-63.1133.5171.9-79-104.9000110.7F71 F78 L120 Q166 F167 L170F71-Y162 WeakPolarHBondContact CB-OH 3.41Å; F71-Y162 AromaticContact CD2-CD1 3.94Å; F71-Y162 HydrophobicContact CD2-CD1 3.94Å; F71-Y162 HydrophobicContact CD2-CD2 4.13Å; F71-Y162 AromaticContact CD2-CE1 3.29Å; F71-Y162 HydrophobicContact CD2-CE1 3.29Å; F71-Y162 AromaticContact CD2-CE2 3.48Å; F71-Y162 HydrophobicContact CD2-CE2 3.48Å; F71-Y162 VanDerWaalsContact CD2-CE2 3.48Å; F71-Y162 HydrophobicContact CD2-CG 4.32Å; F71-Y162 AromaticContact CD2-CZ 3.01Å; F71-Y162 WeakPolarHBondContact CD2-OH 3.36Å; F71-Y162 AromaticContact CE2-CD1 3.84Å; F71-Y162 HydrophobicContact CE2-CD1 3.84Å; F71-Y162 AromaticContact CE2-CD2 3.58Å; F71-Y162 HydrophobicContact CE2-CD2 3.58Å; F71-Y162 AromaticContact CE2-CE1 3.65Å; F71-Y162 HydrophobicContact CE2-CE1 3.65Å; F71-Y162 AromaticContact CE2-CE2 3.35Å; F71-Y162 HydrophobicContact CE2-CE2 3.35Å; F71-Y162 AromaticContact CE2-CG 3.81Å; F71-Y162 HydrophobicContact CE2-CG 3.81Å; F71-Y162 AromaticContact CE2-CZ 3.4Å; F71-Y162 HydrophobicContact CG-CE1 4.4Å; F71-Y162 HydrophobicContact CG-CE2 4.35Å; F71-Y162 AromaticContact CG-CZ 3.87Å; F71-Y162 HydrophobicContact CZ-CD2 4.37Å; F71-Y162 HydrophobicContact CZ-CE2 4.17Å; F78-Y162 WeakPolarHBondContact CZ-OH 3.41Å; L120-Y162 HydrophobicContact CD1-CD2 4.22Å; L120-Y162 HydrophobicContact CD1-CE2 3.97Å; L120-Y162 HydrophobicContact CD2-CE2 3.94Å; L120-Y162 HydrophobicContact CG-CE2 4.39Å; Y162-Q166 HydrophobicContact CD1-CB 3.69Å; Y162-Q166 HydrophobicContact CE1-CB 4.44Å; Y162-F167 HydrophobicContact CG-CE1 4.26Å; Y162-L170 HydrophobicContact CD1-CD1 3.37Å; Y162-L170 HydrophobicContact CD1-CD2 4.29Å; Y162-L170 HydrophobicContact CD1-CG 3.78Å; Y162-L170 HydrophobicContact CD2-CD1 4.14Å; Y162-L170 HydrophobicContact CE1-CD1 3.41Å; Y162-L170 VanDerWaalsContact CE1-CD1 3.41Å; Y162-L170 HydrophobicContact CE1-CD2 3.46Å; Y162-L170 VanDerWaalsContact CE1-CD2 3.46Å; Y162-L170 HydrophobicContact CE1-CG 3.42Å; Y162-L170 VanDerWaalsContact CE1-CG 3.42Å; Y162-L170 HydrophobicContact CE2-CD1 4.2Å; Y162-L170 HydrophobicContact CG-CD1 3.75Å
163T80.2Confident78Confident65 Ų6566.9 Ų66.940%0.39937%0.367SS..PPolyproline II helixtrans-77.4160.3166.958.40000110.7F161 E165 Q166 F167F161-T163 PolarHBondContact O-N 2.88Å; T163-E165 WeakPolarHBondContact CB-OE2 3.24Å; T163-E165 PolarHBondContact O-N 3.3Å; T163-E165 VanDerWaalsContact O-N 3.15Å; T163-Q166 PolarHBondContact O-N 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.46Å; T163-Q166 PolarHBondContact OG1-OE1 3.43Å; T163-F167 WeakPolarHBondContact O-CD2 3.11Å; T163-F167 WeakPolarHBondContact O-CE2 3.45Å
164T76Confident79.5Confident45 Ų4564.1 Ų64.128%0.27635%0.354SS..THydrogen-bonded Turntrans-54-35.9179.2-54.30000112.8F167 K177T164-F167 WeakPolarHBondContact O-CD2 2.85Å; T164-K177 HydrophobicContact CG2-CB 3.61Å; T164-K177 HydrophobicContact CG2-CD 3.81Å; T164-K177 HydrophobicContact CG2-CG 3.38Å
165E75.6Confident80.9Confident145 Ų14561.6 Ų61.668%0.67833%0.325SS*.THydrogen-bonded Turntrans-69.6-33.9-179.9-6368.5-147.200111.7T163 F167T163-E165 WeakPolarHBondContact CB-OE2 3.24Å; T163-E165 PolarHBondContact O-N 3.3Å; T163-E165 VanDerWaalsContact O-N 3.15Å; E165-F167 VanDerWaalsContact C-N 3.33Å; E165-F167 PolarHBondContact O-N 2.97Å
166Q83.4Confident82.2Confident29 Ų2960.2 Ų60.214%0.13632%0.32CS..G310 helixtrans-77.2-15.4-176.9-68.8165.6-3300113.1Y162 T163 G168 L169Y162-Q166 HydrophobicContact CD1-CB 3.69Å; Y162-Q166 HydrophobicContact CE1-CB 4.44Å; T163-Q166 PolarHBondContact O-N 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.46Å; T163-Q166 PolarHBondContact OG1-OE1 3.43Å; Q166-G168 PolarHBondContact O-N 3.11Å; Q166-L169 VanDerWaalsContact O-CB 3.25Å; Q166-L169 WeakPolarHBondContact O-CB 3.37Å; Q166-L169 PolarHBondContact O-N 2.93Å
167F82.8Confident83.2Confident5 Ų558.1 Ų58.12%0.02231%0.308CS..G310 helixtrans-63.5-23.3178.1-66.9-60.4000113.8I123 I142 Y162 T163 T164 E165 L169 L170 K171 I172 V175I123-F167 HydrophobicContact CD1-CE1 3.68Å; I123-F167 HydrophobicContact CD1-CZ 3.87Å; I123-F167 HydrophobicContact CG2-CE1 4.17Å; I142-F167 HydrophobicContact CD1-CD2 4.29Å; I142-F167 HydrophobicContact CD1-CE1 3.98Å; I142-F167 HydrophobicContact CD1-CE2 3.27Å; I142-F167 HydrophobicContact CD1-CZ 3.11Å; Y162-F167 HydrophobicContact CG-CE1 4.26Å; T163-F167 WeakPolarHBondContact O-CD2 3.11Å; T163-F167 WeakPolarHBondContact O-CE2 3.45Å; T164-F167 WeakPolarHBondContact O-CD2 2.85Å; E165-F167 VanDerWaalsContact C-N 3.33Å; E165-F167 PolarHBondContact O-N 2.97Å; F167-L169 PolarHBondContact O-N 3.32Å; F167-L170 HydrophobicContact CD1-CD1 3.68Å; F167-L170 HydrophobicContact CE1-CD1 3.99Å; F167-L170 CarbonylContact O-C 3.58Å; F167-L170 WeakPolarHBondContact O-CB 3.42Å; F167-L170 PolarHBondContact O-N 3.19Å; F167-L170 VanDerWaalsContact O-N 3.08Å; F167-K171 PolarHBondContact O-N 2.79Å; F167-I172 PolarHBondContact O-N 3.09Å; F167-I172 VanDerWaalsContact O-N 3.13Å; F167-V175 HydrophobicContact CB-CG2 4.11Å; F167-V175 HydrophobicContact CD1-CG2 4.09Å; F167-V175 HydrophobicContact CD2-CB 3.92Å; F167-V175 HydrophobicContact CD2-CG1 3.74Å; F167-V175 HydrophobicContact CD2-CG2 3.7Å; F167-V175 HydrophobicContact CE2-CG1 3.92Å; F167-V175 HydrophobicContact CE2-CG2 4.25Å; F167-V175 HydrophobicContact CG-CB 4.31Å; F167-V175 HydrophobicContact CG-CG2 3.68Å
168G75.9Confident84.1Confident58 Ų5860.1 Ų60.160%0.59833%0.325SS*.G310 helixtrans-58.6-37.4169.800000112.4Q166 L170 K171Q166-G168 PolarHBondContact O-N 3.11Å; G168-L170 VanDerWaalsContact C-N 3.27Å; G168-L170 PolarHBondContact O-N 2.9Å; G168-K171 PolarHBondContact O-N 3.29Å; G168-K171 VanDerWaalsContact O-N 3.15Å
169L76.9Confident85.2Confident93 Ų9360.4 Ų60.449%0.48732%0.321SS..THydrogen-bonded Turntrans-69.4-27.4176.8-57.3175.5000112.3A70 Q166 F167 K171A70-L169 HydrophobicContact CB-CB 4.19Å; Q166-L169 VanDerWaalsContact O-CB 3.25Å; Q166-L169 WeakPolarHBondContact O-CB 3.37Å; Q166-L169 PolarHBondContact O-N 2.93Å; F167-L169 PolarHBondContact O-N 3.32Å; L169-K171 VanDerWaalsContact C-N 3.28Å
170L82.7Confident86.1Confident22 Ų2267 Ų6712%0.11535%0.349CS..THydrogen-bonded Turntrans-81.7-6.5175-64.1-177.7000113.5P69 L120 Y162 F167 G168 I172P69-L170 HydrophobicContact CB-CD2 3.12Å; P69-L170 HydrophobicContact CG-CD2 4.02Å; L120-L170 HydrophobicContact CD1-CD1 3.54Å; L120-L170 HydrophobicContact CD1-CD2 4.25Å; Y162-L170 HydrophobicContact CD1-CD1 3.37Å; Y162-L170 HydrophobicContact CD1-CD2 4.29Å; Y162-L170 HydrophobicContact CD1-CG 3.78Å; Y162-L170 HydrophobicContact CD2-CD1 4.14Å; Y162-L170 HydrophobicContact CE1-CD1 3.41Å; Y162-L170 VanDerWaalsContact CE1-CD1 3.41Å; Y162-L170 HydrophobicContact CE1-CD2 3.46Å; Y162-L170 VanDerWaalsContact CE1-CD2 3.46Å; Y162-L170 HydrophobicContact CE1-CG 3.42Å; Y162-L170 VanDerWaalsContact CE1-CG 3.42Å; Y162-L170 HydrophobicContact CE2-CD1 4.2Å; Y162-L170 HydrophobicContact CG-CD1 3.75Å; F167-L170 HydrophobicContact CD1-CD1 3.68Å; F167-L170 HydrophobicContact CE1-CD1 3.99Å; F167-L170 CarbonylContact O-C 3.58Å; F167-L170 WeakPolarHBondContact O-CB 3.42Å; F167-L170 PolarHBondContact O-N 3.19Å; F167-L170 VanDerWaalsContact O-N 3.08Å; G168-L170 VanDerWaalsContact C-N 3.27Å; G168-L170 PolarHBondContact O-N 2.9Å; L170-I172 HydrophobicContact CB-CB 4.43Å; L170-I172 HydrophobicContact CB-CD1 4.07Å; L170-I172 HydrophobicContact CB-CG1 3.93Å; L170-I172 HydrophobicContact CD1-CD1 4.34Å; L170-I172 PolarHBondContact O-N 2.99Å
171K86.4Confident86.7Confident179 Ų17966.2 Ų66.278%0.77835%0.345SS*.THydrogen-bonded Turntrans58.323.9-169.5-53.1-178.3178.8-177.40113.4F167 G168 L169F167-K171 PolarHBondContact O-N 2.79Å; G168-K171 PolarHBondContact O-N 3.29Å; G168-K171 VanDerWaalsContact O-N 3.15Å; L169-K171 VanDerWaalsContact C-N 3.28Å
172I91Very high87.4Confident7 Ų767.8 Ų67.84%0.03636%0.355CS..  trans-97.997.7175.5-56.6178.9000107.5I123 Q124 D127 I140 F167 L170 R174 V175I123-I172 HydrophobicContact CG2-CD1 3.83Å; Q124-I172 HydrophobicContact CG-CD1 4.1Å; D127-I172 HydrophobicContact CB-CD1 4.45Å; D127-I172 HydrophobicContact CB-CG2 4.09Å; I140-I172 HydrophobicContact CD1-CG2 4.47Å; F167-I172 PolarHBondContact O-N 3.09Å; F167-I172 VanDerWaalsContact O-N 3.13Å; L170-I172 HydrophobicContact CB-CB 4.43Å; L170-I172 HydrophobicContact CB-CD1 4.07Å; L170-I172 HydrophobicContact CB-CG1 3.93Å; L170-I172 HydrophobicContact CD1-CD1 4.34Å; L170-I172 PolarHBondContact O-N 2.99Å; I172-R174 HydrophobicContact CG2-CG 4.47Å; I172-V175 HydrophobicContact CG2-CG2 3.86Å
173T90.6Very high88Confident127 Ų12769 Ų6978%0.77936%0.36SS*.  trans-91.5-12.4-170.856.40000114.1
174R94.2Very high88.5Confident16 Ų1670.5 Ų70.56%0.0636%0.363CS..  trans-91.66.9-173.366.717674.5-133.94.2115.2D127 T131 D135 K139 I140 I172 D176D127-R174 WeakPolarHBondContact OD1-CD 3.49Å; D127-R174 IonicContact OD1-NE 3.41Å; D127-R174 PolarHBondContact OD1-NE 3.13Å; T131-R174 PolarHBondContact OG1-NH2 2.96Å; T131-R174 VanDerWaalsContact OG1-NH2 3.11Å; D135-R174 PolarHBondContact O-NH1 2.84Å; D135-R174 PolarHBondContact O-NH2 2.82Å; K139-R174 CarbonylContact C-O 3.45Å; K139-R174 VanDerWaalsContact CA-O 3.27Å; K139-R174 WeakPolarHBondContact CA-O 3.29Å; I140-R174 HydrophobicContact CD1-CG 3.7Å; I140-R174 HydrophobicContact CG1-CG 3.85Å; I140-R174 PolarHBondContact N-O 3.39Å; I172-R174 HydrophobicContact CG2-CG 4.47Å; R174-D176 PolarHBondContact O-N 2.65Å
175V95Very high88.9Confident13 Ų1372 Ų728%0.07937%0.369CS..BIsolated β-bridgetrans-65.8129.2176.4-179.60000110.2I140 I142 F167 I172 K177I140-V175 HydrophobicContact CB-CG2 4.49Å; I140-V175 CarbonylContact O-C 3.51Å; I140-V175 WeakPolarHBondContact O-CA 3.26Å; I142-V175 HydrophobicContact CD1-CG1 3.82Å; I142-V175 HydrophobicContact CD1-CG2 4.46Å; I142-V175 HydrophobicContact CG1-CG1 4.32Å; F167-V175 HydrophobicContact CB-CG2 4.11Å; F167-V175 HydrophobicContact CD1-CG2 4.09Å; F167-V175 HydrophobicContact CD2-CB 3.92Å; F167-V175 HydrophobicContact CD2-CG1 3.74Å; F167-V175 HydrophobicContact CD2-CG2 3.7Å; F167-V175 HydrophobicContact CE2-CG1 3.92Å; F167-V175 HydrophobicContact CE2-CG2 4.25Å; F167-V175 HydrophobicContact CG-CB 4.31Å; F167-V175 HydrophobicContact CG-CG2 3.68Å; I172-V175 HydrophobicContact CG2-CG2 3.86Å; V175-K177 PolarHBondContact O-N 2.77Å; V175-K177 VanDerWaalsContact O-N 3.14Å
176D95.3Very high89.4Confident25 Ų2570.4 Ų70.413%0.13437%0.373CS..  trans-73.698.7176.8-172.7-4.9000110K139 I140 R141 R174 N178 Y179K139-D176 HydrophobicContact CB-CB 3.86Å; I140-D176 PolarHBondContact O-N 2.97Å; R141-D176 HydrophobicContact CG-CB 3.82Å; R141-D176 IonicContact CZ-OD2 3.31Å; R141-D176 IonicContact NE-OD2 3.8Å; R141-D176 PolarHBondContact NE-OD2 3.32Å; R141-D176 IonicContact NH2-OD2 3.75Å; R141-D176 PolarHBondContact NH2-OD2 3.15Å; R174-D176 PolarHBondContact O-N 2.65Å; D176-N178 PolarHBondContact O-N 2.84Å; D176-N178 PolarHBondContact OD1-N 2.97Å; D176-Y179 WeakPolarHBondContact O-CB 3.42Å; D176-Y179 PolarHBondContact O-N 3.43Å; D176-Y179 PolarHBondContact OD1-N 3.31Å
177K92.1Very high89.6Confident149 Ų14971.6 Ų71.665%0.64839%0.388SS*.THydrogen-bonded Turntrans-69.1-17.6-179.9-49.6-162.4175.2179.80113.8T164 V175T164-K177 HydrophobicContact CG2-CB 3.61Å; T164-K177 HydrophobicContact CG2-CD 3.81Å; T164-K177 HydrophobicContact CG2-CG 3.38Å; V175-K177 PolarHBondContact O-N 2.77Å; V175-K177 VanDerWaalsContact O-N 3.14Å
178N93.7Very high89.7Confident134 Ų13473.1 Ų73.172%0.71739%0.394SS*.THydrogen-bonded Turntrans-97.81.4-177.9-59.6-39.2000111.7D176 H180D176-N178 PolarHBondContact O-N 2.84Å; D176-N178 PolarHBondContact OD1-N 2.97Å; N178-H180 PolarHBondContact O-CE1 3.27Å; N178-H180 PolarHBondContact O-N 3.43Å; N178-H180 PolarHBondContact O-ND1 3.43Å
179Y95Very high89.9Confident33 Ų3377 Ų7713%0.12939%0.394CS..  trans-68.3126.6177.8-179.1-121.6000110.9Y115 R141 I142 E143 D176 P181Y115-Y179 AromaticContact CE1-CE2 3.86Å; Y115-Y179 HydrophobicContact CE1-CE2 3.86Å; Y115-Y179 AromaticContact CE1-CZ 3.88Å; R141-Y179 HydrophobicContact CB-CD1 3.77Å; R141-Y179 HydrophobicContact CB-CD2 4.05Å; R141-Y179 HydrophobicContact CB-CE1 3.99Å; R141-Y179 HydrophobicContact CB-CE2 4.26Å; R141-Y179 HydrophobicContact CB-CG 3.79Å; R141-Y179 HydrophobicContact CG-CD1 4.18Å; R141-Y179 HydrophobicContact CG-CD2 3.75Å; R141-Y179 HydrophobicContact CG-CE2 4.31Å; R141-Y179 HydrophobicContact CG-CG 3.67Å; I142-Y179 WeakPolarHBondContact O-CD1 3.4Å; I142-Y179 VanDerWaalsContact O-CE1 3.26Å; I142-Y179 WeakPolarHBondContact O-CE1 3.4Å; E143-Y179 HydrophobicContact CB-CE1 4.41Å; E143-Y179 PolarHBondContact OE2-OH 3.21Å; D176-Y179 WeakPolarHBondContact O-CB 3.42Å; D176-Y179 PolarHBondContact O-N 3.43Å; D176-Y179 PolarHBondContact OD1-N 3.31Å; Y179-P181 HydrophobicContact CD1-CG 4.17Å; Y179-P181 HydrophobicContact CE1-CB 4.02Å; Y179-P181 HydrophobicContact CE1-CG 4.08Å; Y179-P181 WeakPolarHBondContact O-CD 3.45Å
180H94.5Very high89.9Confident159 Ų15975.1 Ų75.174%0.73639%0.389SS*.  trans-101.1110.5171.9-67.673.2000107.9N178N178-H180 PolarHBondContact O-CE1 3.27Å; N178-H180 PolarHBondContact O-N 3.43Å; N178-H180 PolarHBondContact O-ND1 3.43Å
181P95.4Very high89.7Confident35 Ų3578.9 Ų78.923%0.22742%0.417CS..  trans-64.8146.4-175.3-21.632.1000113.5E143 P144 Y179 F183 Q184E143-P181 WeakPolarHBondContact OE2-CA 3.46Å; P144-P181 HydrophobicContact CG-CB 4.25Å; P144-P181 HydrophobicContact CG-CG 4.37Å; Y179-P181 HydrophobicContact CD1-CG 4.17Å; Y179-P181 HydrophobicContact CE1-CB 4.02Å; Y179-P181 HydrophobicContact CE1-CG 4.08Å; Y179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-F183 VanDerWaalsContact C-N 3.33Å; P181-Q184 PolarHBondContact O-NE2 3.22Å
182I96.4Very high89.7Confident68 Ų6871.7 Ų71.735%0.34939%0.386SS..SBendtrans-67.6-40.6175.9-58.8-171.3000109.6E143 S207 L208E143-I182 PolarHBondContact OE2-N 3.29Å; I182-S207 VanDerWaalsContact CD1-CB 3.45Å; I182-L208 HydrophobicContact CD1-CB 4.45Å; I182-L208 HydrophobicContact CD1-CD2 3.62Å; I182-L208 HydrophobicContact CD1-CG 3.75Å; I182-L208 HydrophobicContact CG1-CD2 4.38Å
183F94.6Very high89.3Confident41 Ų4174.4 Ų74.418%0.1841%0.405CS..SBendtrans-113.1120.2175.6-176.8-86.7000109.9E143 P144 G145 P181 A187 W188 R200 V204E143-F183 WeakPolarHBondContact OE1-CB 3.3Å; E143-F183 PolarHBondContact OE1-N 3.4Å; P144-F183 HydrophobicContact CB-CD1 4.31Å; P144-F183 WeakPolarHBondContact CB-O 3.48Å; P144-F183 WeakPolarHBondContact CD-O 3.33Å; P144-F183 WeakPolarHBondContact CG-O 3.24Å; G145-F183 VanDerWaalsContact CA-CB 3.47Å; P181-F183 VanDerWaalsContact C-N 3.33Å; F183-A187 HydrophobicContact CE1-CB 4.28Å; F183-A187 HydrophobicContact CE2-CB 4.03Å; F183-A187 HydrophobicContact CZ-CB 3.8Å; F183-W188 HydrophobicContact CE1-CB 3.91Å; F183-W188 HydrophobicContact CZ-CB 4.34Å; F183-R200 HydrophobicContact CD2-CG 4.02Å; F183-R200 VanDerWaalsContact CE2-CD 3.45Å; F183-R200 HydrophobicContact CE2-CG 4.03Å; F183-R200 HydrophobicContact CG-CG 4.48Å; F183-R200 VanDerWaalsContact CZ-CD 3.46Å; F183-R200 HydrophobicContact CZ-CG 4.5Å; F183-V204 HydrophobicContact CB-CG2 3.87Å
184Q91.1Very high88.9Confident98 Ų9875 Ų7546%0.45839%0.394SS..  trans-76.4136.9179.7-62.9-60.6-48.500110.5P181 S186 A187P181-Q184 PolarHBondContact O-NE2 3.22Å; Q184-S186 PolarHBondContact O-N 3.1Å; Q184-S186 VanDerWaalsContact O-N 3.16Å; Q184-A187 WeakPolarHBondContact O-CB 3.39Å; Q184-A187 PolarHBondContact O-N 2.93Å
185I84.9Confident88.4Confident77 Ų7777.3 Ų77.340%0.39542%0.416SS..G310 helixtrans-59-30.5179.8-169.865.2000112.4P144 F161 A187 W188P144-I185 HydrophobicContact CB-CB 4.01Å; P144-I185 HydrophobicContact CB-CD1 3.93Å; P144-I185 HydrophobicContact CG-CB 4.13Å; F161-I185 HydrophobicContact CD2-CD1 3.79Å; F161-I185 HydrophobicContact CD2-CG1 4.44Å; F161-I185 HydrophobicContact CE2-CD1 3.69Å; I185-A187 PolarHBondContact O-N 2.97Å; I185-W188 HydrophobicContact CD1-CB 4.49Å; I185-W188 WeakPolarHBondContact O-CB 3.46Å; I185-W188 PolarHBondContact O-N 2.95Å; I185-W188 VanDerWaalsContact O-N 3.09Å
186S85.5Confident88Confident110 Ų11078.5 Ų78.577%0.76943%0.427SS*.G310 helixtrans-66.1-2017654.20000114Q184 W188Q184-S186 PolarHBondContact O-N 3.1Å; Q184-S186 VanDerWaalsContact O-N 3.16Å; S186-W188 VanDerWaalsContact C-N 3.33Å
187A87.5Confident87.7Confident55 Ų5577.8 Ų77.846%0.45542%0.423SS..G310 helixtrans-83.3-11.8174.900000112.7F183 Q184 I185F183-A187 HydrophobicContact CE1-CB 4.28Å; F183-A187 HydrophobicContact CE2-CB 4.03Å; F183-A187 HydrophobicContact CZ-CB 3.8Å; Q184-A187 WeakPolarHBondContact O-CB 3.39Å; Q184-A187 PolarHBondContact O-N 2.93Å; I185-A187 PolarHBondContact O-N 2.97Å
188W84.7Confident87.4Confident36 Ų3671.4 Ų71.414%0.13640%0.397CS..  trans-71.4140.6179.2-169.193.4000111.1V150 A158 F183 I185 S186V150-W188 HydrophobicContact CB-CH2 4.41Å; V150-W188 HydrophobicContact CG2-CH2 2.92Å; V150-W188 HydrophobicContact CG2-CZ2 3.07Å; V150-W188 HydrophobicContact CG2-CZ3 4.02Å; A158-W188 HydrophobicContact CB-CE3 3.89Å; A158-W188 HydrophobicContact CB-CH2 3.47Å; A158-W188 VanDerWaalsContact CB-CH2 3.47Å; A158-W188 HydrophobicContact CB-CZ2 4.31Å; A158-W188 HydrophobicContact CB-CZ3 3.3Å; F183-W188 HydrophobicContact CE1-CB 3.91Å; F183-W188 HydrophobicContact CZ-CB 4.34Å; I185-W188 HydrophobicContact CD1-CB 4.49Å; I185-W188 WeakPolarHBondContact O-CB 3.46Å; I185-W188 PolarHBondContact O-N 2.95Å; I185-W188 VanDerWaalsContact O-N 3.09Å; S186-W188 VanDerWaalsContact C-N 3.33Å
189K80Confident87.2Confident140 Ų14069.3 Ų69.361%0.60939%0.385SS*.  trans-132135179.5-62.4-176.5-178.7-178.10109.9S191 E192K189-S191 PolarHBondContact O-N 3.24Å; K189-E192 WeakPolarHBondContact O-CB 3.28Å; K189-E192 PolarHBondContact O-N 3.41Å
190S76.8Confident87.1Confident53 Ų5368.2 Ų68.237%0.37138%0.381SS..THydrogen-bonded Turntrans-65.2-25.5174.8520000112.8E192S190-E192 VanDerWaalsContact C-N 3.28Å; S190-E192 PolarHBondContact O-N 3.39Å
191S79.7Confident87Confident101 Ų10160.7 Ų60.771%0.70635%0.346SS*.THydrogen-bonded Turntrans-87.618.9176.471.80000114K189K189-S191 PolarHBondContact O-N 3.24Å
192E84.9Confident86.9Confident28 Ų2862.5 Ų62.513%0.13135%0.35CS..  trans-56.1142.1177.1-175.3175.4-14200109.9F149 K189 S190 A196 F197 R200F149-E192 HydrophobicContact CD2-CB 4.12Å; F149-E192 HydrophobicContact CE2-CB 3.86Å; F149-E192 WeakPolarHBondContact CE2-O 3.3Å; F149-E192 WeakPolarHBondContact CZ-O 3.18Å; K189-E192 WeakPolarHBondContact O-CB 3.28Å; K189-E192 PolarHBondContact O-N 3.41Å; S190-E192 VanDerWaalsContact C-N 3.28Å; S190-E192 PolarHBondContact O-N 3.39Å; E192-A196 HydrophobicContact CG-CB 3.67Å; E192-F197 VanDerWaalsContact CD-CA 3.49Å; E192-F197 HydrophobicContact CG-CB 4.27Å; E192-F197 WeakPolarHBondContact OE1-CA 3.36Å; E192-F197 PolarHBondContact OE1-N 3.5Å; E192-R200 IonicContact OE1-CZ 3.51Å; E192-R200 IonicContact OE1-NE 2.81Å; E192-R200 PolarHBondContact OE1-NE 2.93Å; E192-R200 IonicContact OE1-NH2 2.84Å; E192-R200 IonicContact OE2-CZ 3.28Å; E192-R200 IonicContact OE2-NE 2.72Å; E192-R200 PolarHBondContact OE2-NE 3.34Å; E192-R200 IonicContact OE2-NH2 3.24Å; E192-R200 PolarHBondContact OE2-NH2 3.22Å
193S83.9Confident86.8Confident64 Ų6465.8 Ų65.845%0.44836%0.362SS..  trans-84.5158.7173.173.20000110A195 A196 F197S193-A195 PolarHBondContact O-N 3.29Å; S193-A196 PolarHBondContact O-N 2.8Å; S193-A196 WeakPolarHBondContact OG-CB 3.39Å; S193-A196 PolarHBondContact OG-N 3.1Å; S193-A196 VanDerWaalsContact OG-N 3.11Å; S193-F197 PolarHBondContact O-N 2.77Å
194R80.9Confident86.9Confident141 Ų14164 Ų6453%0.53236%0.355SS..Hα-helixtrans-55-37174-66.7-176.2-173.4171.34.9112.8F149 C198F149-R194 HydrophobicContact CE1-CG 4.13Å; R194-C198 PolarHBondContact O-N 3.1Å; R194-C198 VanDerWaalsContact O-N 3.08Å; R194-C198 PolarHBondContact O-SG 3.38Å
195A83.7Confident87.1Confident64 Ų6459.3 Ų59.353%0.52933%0.333SS..Hα-helixtrans-65.6-47.4175.800000111.3S193 F197 C198 D199S193-A195 PolarHBondContact O-N 3.29Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.14Å; A195-C198 PolarHBondContact O-N 3.14Å; A195-D199 PolarHBondContact O-N 3.22Å
196A88Confident87.5Confident37 Ų3757.4 Ų57.431%0.30632%0.323SS..Hα-helixtrans-61.5-39.6176.600000112.2E192 S193 D199 R200E192-A196 HydrophobicContact CG-CB 3.67Å; S193-A196 PolarHBondContact O-N 2.8Å; S193-A196 WeakPolarHBondContact OG-CB 3.39Å; S193-A196 PolarHBondContact OG-N 3.1Å; S193-A196 VanDerWaalsContact OG-N 3.11Å; A196-D199 PolarHBondContact O-N 2.95Å; A196-R200 WeakPolarHBondContact O-CB 3.4Å; A196-R200 PolarHBondContact O-N 3.31Å
197F88Confident87.9Confident11 Ų1154.4 Ų54.45%0.04830%0.302CS..Hα-helixtrans-57.3-49.4172.8167-111.9000112F149 E192 S193 A195 R200 Q201 P224 N225 A228F149-F197 HydrophobicContact CB-CD1 4.39Å; F149-F197 HydrophobicContact CB-CD2 3.82Å; F149-F197 HydrophobicContact CB-CE2 4.05Å; F149-F197 HydrophobicContact CB-CG 3.99Å; F149-F197 HydrophobicContact CB-CZ 4.42Å; F149-F197 HydrophobicContact CG-CB 4.46Å; F149-F197 HydrophobicContact CG-CG 4.41Å; E192-F197 VanDerWaalsContact CD-CA 3.49Å; E192-F197 HydrophobicContact CG-CB 4.27Å; E192-F197 WeakPolarHBondContact OE1-CA 3.36Å; E192-F197 PolarHBondContact OE1-N 3.5Å; S193-F197 PolarHBondContact O-N 2.77Å; A195-F197 VanDerWaalsContact C-N 3.32Å; A195-F197 PolarHBondContact O-N 3.14Å; F197-R200 PolarHBondContact O-N 3.24Å; F197-Q201 HydrophobicContact CD2-CG 4.27Å; F197-Q201 HydrophobicContact CE1-CG 4.43Å; F197-Q201 HydrophobicContact CE2-CG 3.86Å; F197-Q201 HydrophobicContact CZ-CG 3.96Å; F197-Q201 WeakPolarHBondContact O-CG 3.25Å; F197-Q201 PolarHBondContact O-N 3.2Å; F197-P224 HydrophobicContact CE1-CB 4.48Å; F197-P224 HydrophobicContact CZ-CB 4.27Å; F197-N225 HydrophobicContact CZ-CB 4.49Å; F197-A228 HydrophobicContact CD1-CB 4.24Å; F197-A228 HydrophobicContact CE1-CB 3.57Å; F197-A228 HydrophobicContact CZ-CB 4.17Å
198C87.2Confident88.4Confident15 Ų1551.8 Ų51.810%0.10128%0.281CS..Hα-helixtrans-65.3-41.6179.6-63.90000111.8R194 A195 R200 Q201 K202 L238R194-C198 PolarHBondContact O-N 3.1Å; R194-C198 VanDerWaalsContact O-N 3.08Å; R194-C198 PolarHBondContact O-SG 3.38Å; A195-C198 PolarHBondContact O-N 3.14Å; C198-R200 VanDerWaalsContact C-N 3.34Å; C198-R200 PolarHBondContact O-N 3.49Å; C198-Q201 PolarHBondContact O-N 3Å; C198-K202 WeakPolarHBondContact O-CB 3.31Å; C198-K202 PolarHBondContact O-N 3.27Å; C198-L238 HydrophobicContact CB-CD1 4.04Å; C198-L238 VanDerWaalsContact SG-CD1 3.56Å
199D89.3Confident88.8Confident89 Ų8950.7 Ų50.748%0.47628%0.277SS..Hα-helixtrans-62.5-41.2175.7-78.3-12.5000111.8A195 A196 K202 K203A195-D199 PolarHBondContact O-N 3.22Å; A196-D199 PolarHBondContact O-N 2.95Å; D199-K202 PolarHBondContact O-N 3.43Å; D199-K203 WeakPolarHBondContact O-CB 3.44Å; D199-K203 VanDerWaalsContact O-CG 3.27Å; D199-K203 WeakPolarHBondContact O-CG 3.44Å; D199-K203 PolarHBondContact O-N 3.09Å
200R92.7Very high89.3Confident11 Ų1149.3 Ų49.34%0.04228%0.276CS..Hα-helixtrans-61-50.3174174.3172.360.592.3-13.4110.9G145 A147 F183 E192 A196 F197 C198 K202 K203 V204G145-R200 PolarHBondContact O-NH1 3.1Å; A147-R200 PolarHBondContact O-NH1 3.13Å; A147-R200 PolarHBondContact O-NH2 3.31Å; A147-R200 VanDerWaalsContact O-NH2 3.08Å; F183-R200 HydrophobicContact CD2-CG 4.02Å; F183-R200 VanDerWaalsContact CE2-CD 3.45Å; F183-R200 HydrophobicContact CE2-CG 4.03Å; F183-R200 HydrophobicContact CG-CG 4.48Å; F183-R200 VanDerWaalsContact CZ-CD 3.46Å; F183-R200 HydrophobicContact CZ-CG 4.5Å; E192-R200 IonicContact OE1-CZ 3.51Å; E192-R200 IonicContact OE1-NE 2.81Å; E192-R200 PolarHBondContact OE1-NE 2.93Å; E192-R200 IonicContact OE1-NH2 2.84Å; E192-R200 IonicContact OE2-CZ 3.28Å; E192-R200 IonicContact OE2-NE 2.72Å; E192-R200 PolarHBondContact OE2-NE 3.34Å; E192-R200 IonicContact OE2-NH2 3.24Å; E192-R200 PolarHBondContact OE2-NH2 3.22Å; A196-R200 WeakPolarHBondContact O-CB 3.4Å; A196-R200 PolarHBondContact O-N 3.31Å; F197-R200 PolarHBondContact O-N 3.24Å; C198-R200 VanDerWaalsContact C-N 3.34Å; C198-R200 PolarHBondContact O-N 3.49Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.21Å; R200-K203 PolarHBondContact O-N 3.46Å; R200-V204 HydrophobicContact CG-CG2 4.36Å; R200-V204 WeakPolarHBondContact O-CB 3.24Å; R200-V204 WeakPolarHBondContact O-CG2 3.31Å; R200-V204 PolarHBondContact O-N 3.29Å
201Q92.9Very high90.2Very high0 Ų051.1 Ų51.10%029%0.285CS..Hα-helixtrans-55.6-48.4177.3-69.8-43.1-70.300111.2G145 F197 C198 V205 N225 A228 I229G145-Q201 PolarHBondContact O-NE2 3.07Å; F197-Q201 HydrophobicContact CD2-CG 4.27Å; F197-Q201 HydrophobicContact CE1-CG 4.43Å; F197-Q201 HydrophobicContact CE2-CG 3.86Å; F197-Q201 HydrophobicContact CZ-CG 3.96Å; F197-Q201 WeakPolarHBondContact O-CG 3.25Å; F197-Q201 PolarHBondContact O-N 3.2Å; C198-Q201 PolarHBondContact O-N 3Å; Q201-V205 VanDerWaalsContact O-CG2 3.29Å; Q201-V205 WeakPolarHBondContact O-CG2 3.32Å; Q201-V205 PolarHBondContact O-N 2.99Å; Q201-N225 PolarHBondContact NE2-ND2 3.24Å; Q201-N225 PolarHBondContact OE1-ND2 3.21Å; Q201-A228 HydrophobicContact CG-CB 4.12Å; Q201-I229 HydrophobicContact CB-CG1 3.86Å; Q201-I229 HydrophobicContact CG-CG1 4.28Å
202K92.4Very high90.9Very high73 Ų7346.8 Ų46.832%0.31725%0.253SS..Hα-helixtrans-59.4-53.6179-176.8-178.2178.1-59.40112.1C198 D199 R200 V204 V205 D206 A232 L233C198-K202 WeakPolarHBondContact O-CB 3.31Å; C198-K202 PolarHBondContact O-N 3.27Å; D199-K202 PolarHBondContact O-N 3.43Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.21Å; K202-V204 VanDerWaalsContact C-N 3.31Å; K202-V204 PolarHBondContact O-N 2.85Å; K202-V205 PolarHBondContact O-N 3.29Å; K202-D206 WeakPolarHBondContact CG-OD2 3.49Å; K202-D206 IonicContact NZ-OD2 3.45Å; K202-D206 PolarHBondContact NZ-OD2 3.02Å; K202-D206 WeakPolarHBondContact O-CB 3.06Å; K202-D206 PolarHBondContact O-N 2.91Å; K202-A232 HydrophobicContact CB-CB 3.87Å; K202-A232 HydrophobicContact CD-CB 4.31Å; K202-A232 HydrophobicContact CG-CB 4.28Å; K202-L233 HydrophobicContact CG-CD2 4.2Å
203K94.1Very high91.3Very high138 Ų13854.3 Ų54.360%0.629%0.286SS*.Hα-helixtrans-59.2-43.5-176.9-75.2172.2-178.2172.90111.9D199 R200 S207D199-K203 WeakPolarHBondContact O-CB 3.44Å; D199-K203 VanDerWaalsContact O-CG 3.27Å; D199-K203 WeakPolarHBondContact O-CG 3.44Å; D199-K203 PolarHBondContact O-N 3.09Å; R200-K203 PolarHBondContact O-N 3.46Å; K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.99Å; K203-S207 VanDerWaalsContact O-N 3.08Å; K203-S207 PolarHBondContact O-OG 3.29Å
204V96.5Very high91.8Very high3 Ų351.5 Ų51.52%0.01827%0.267CS..Hα-helixtrans-64.6-49.2179.21710000110.1E143 L146 F183 R200 K202 S207 L208E143-V204 HydrophobicContact CG-CG1 3.49Å; E143-V204 VanDerWaalsContact CG-CG1 3.49Å; L146-V204 HydrophobicContact CD2-CG1 4.14Å; L146-V204 HydrophobicContact CG-CG1 4.33Å; F183-V204 HydrophobicContact CB-CG2 3.87Å; R200-V204 HydrophobicContact CG-CG2 4.36Å; R200-V204 WeakPolarHBondContact O-CB 3.24Å; R200-V204 WeakPolarHBondContact O-CG2 3.31Å; R200-V204 PolarHBondContact O-N 3.29Å; K202-V204 VanDerWaalsContact C-N 3.31Å; K202-V204 PolarHBondContact O-N 2.85Å; V204-S207 PolarHBondContact O-N 3.02Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.31Å; V204-L208 WeakPolarHBondContact O-CB 3.31Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 2.65Å
205V95.4Very high92.4Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-68.6-40.2-177.5179.20000112.5L5 L146 Q201 K202 S207 L208 F209 L219 I229 L233L5-V205 HydrophobicContact CD1-CG1 4.12Å; L5-V205 HydrophobicContact CD2-CG1 3.59Å; L146-V205 HydrophobicContact CD2-CG2 4.13Å; Q201-V205 VanDerWaalsContact O-CG2 3.29Å; Q201-V205 WeakPolarHBondContact O-CG2 3.32Å; Q201-V205 PolarHBondContact O-N 2.99Å; K202-V205 PolarHBondContact O-N 3.29Å; V205-S207 VanDerWaalsContact C-N 3.3Å; V205-S207 PolarHBondContact O-N 3.38Å; V205-L208 PolarHBondContact O-N 3.37Å; V205-F209 WeakPolarHBondContact O-CB 3.44Å; V205-F209 PolarHBondContact O-N 3.48Å; V205-L219 HydrophobicContact CG1-CD1 4.07Å; V205-L219 HydrophobicContact CG2-CD1 3.69Å; V205-I229 HydrophobicContact CB-CG2 4.5Å; V205-I229 HydrophobicContact CG1-CG2 4.29Å; V205-I229 HydrophobicContact CG2-CD1 3.9Å; V205-I229 HydrophobicContact CG2-CG1 3.96Å; V205-I229 HydrophobicContact CG2-CG2 4.08Å; V205-L233 HydrophobicContact CB-CD1 4.43Å; V205-L233 HydrophobicContact CG1-CD1 3.74Å
206D93Very high93Very high36 Ų3645 Ų4519%0.19323%0.234CC..Hα-helixtrans-56.6-48.2173.2-78.7-26.1000110.2K202 L208 F209 D210 L233K202-D206 WeakPolarHBondContact CG-OD2 3.49Å; K202-D206 IonicContact NZ-OD2 3.45Å; K202-D206 PolarHBondContact NZ-OD2 3.02Å; K202-D206 WeakPolarHBondContact O-CB 3.06Å; K202-D206 PolarHBondContact O-N 2.91Å; D206-L208 PolarHBondContact O-N 3.35Å; D206-F209 PolarHBondContact O-N 3.19Å; D206-D210 PolarHBondContact O-N 3.17Å; D206-L233 WeakPolarHBondContact OD1-CD2 3.47Å
207S95.4Very high93.5Very high47 Ų4743.3 Ų43.333%0.32922%0.219SC..Hα-helixtrans-66.1-39.9-179.4-54.20000112.2I182 K203 V204 V205 F209 D210 V211I182-S207 VanDerWaalsContact CD1-CB 3.45Å; K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.99Å; K203-S207 VanDerWaalsContact O-N 3.08Å; K203-S207 PolarHBondContact O-OG 3.29Å; V204-S207 PolarHBondContact O-N 3.02Å; V205-S207 VanDerWaalsContact C-N 3.3Å; V205-S207 PolarHBondContact O-N 3.38Å; S207-F209 VanDerWaalsContact C-N 3.35Å; S207-D210 PolarHBondContact O-N 3.17Å; S207-V211 WeakPolarHBondContact O-CG2 3.42Å; S207-V211 PolarHBondContact O-N 3.45Å
208L96.2Very high93.9Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-62.3-42.6174-74.1176.4000111.6Y115 E143 L146 I182 V204 V205 D206 D210 V211 H212 L217 L219Y115-L208 HydrophobicContact CD1-CD1 4.28Å; Y115-L208 HydrophobicContact CD1-CD2 3.45Å; Y115-L208 VanDerWaalsContact CD1-CD2 3.45Å; Y115-L208 HydrophobicContact CD2-CD2 4.34Å; Y115-L208 HydrophobicContact CE1-CD2 3.23Å; Y115-L208 HydrophobicContact CE2-CD2 4.16Å; Y115-L208 HydrophobicContact CG-CD1 4.21Å; Y115-L208 HydrophobicContact CG-CD2 4.02Å; E143-L208 HydrophobicContact CG-CD1 4.42Å; L146-L208 HydrophobicContact CD1-CD1 4.45Å; I182-L208 HydrophobicContact CD1-CB 4.45Å; I182-L208 HydrophobicContact CD1-CD2 3.62Å; I182-L208 HydrophobicContact CD1-CG 3.75Å; I182-L208 HydrophobicContact CG1-CD2 4.38Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.31Å; V204-L208 WeakPolarHBondContact O-CB 3.31Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.43Å; V204-L208 PolarHBondContact O-N 2.65Å; V205-L208 PolarHBondContact O-N 3.37Å; D206-L208 PolarHBondContact O-N 3.35Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.01Å; L208-V211 PolarHBondContact O-N 3.16Å; L208-H212 WeakPolarHBondContact O-CB 3.44Å; L208-H212 PolarHBondContact O-N 2.56Å; L208-L217 HydrophobicContact CB-CD2 3.92Å; L208-L219 HydrophobicContact CD1-CD2 3.89Å
209F93.6Very high94.5Very high13 Ų1342 Ų426%0.05721%0.212CC..Hα-helixtrans-63.9-39.7179.6-163.5-83.2000111.5V2 L5 V205 D206 S207 L217 K260 F265V2-F209 HydrophobicContact CB-CD1 4.33Å; V2-F209 HydrophobicContact CB-CD2 4.42Å; V2-F209 HydrophobicContact CB-CE1 3.86Å; V2-F209 HydrophobicContact CB-CE2 3.96Å; V2-F209 HydrophobicContact CB-CZ 3.67Å; V2-F209 HydrophobicContact CG1-CD2 3.91Å; V2-F209 HydrophobicContact CG1-CE1 4.27Å; V2-F209 HydrophobicContact CG1-CE2 3.43Å; V2-F209 VanDerWaalsContact CG1-CE2 3.43Å; V2-F209 HydrophobicContact CG1-CZ 3.65Å; V2-F209 WeakPolarHBondContact CG2-O 3.44Å; V2-F209 WeakPolarHBondContact O-CZ 3.06Å; L5-F209 HydrophobicContact CB-CD2 4.24Å; L5-F209 HydrophobicContact CB-CE2 4.13Å; V205-F209 WeakPolarHBondContact O-CB 3.44Å; V205-F209 PolarHBondContact O-N 3.48Å; D206-F209 PolarHBondContact O-N 3.19Å; S207-F209 VanDerWaalsContact C-N 3.35Å; F209-L217 HydrophobicContact CB-CD2 4.09Å; F209-L217 HydrophobicContact CD2-CD2 4.11Å; F209-K260 HydrophobicContact CD1-CD 3.81Å; F209-K260 HydrophobicContact CE1-CB 3.95Å; F209-K260 HydrophobicContact CE1-CD 3.4Å; F209-K260 VanDerWaalsContact CE1-CD 3.4Å; F209-K260 HydrophobicContact CE1-CG 4.32Å; F209-K260 HydrophobicContact CZ-CB 3.76Å; F209-K260 HydrophobicContact CZ-CD 4.1Å; F209-F265 HydrophobicContact CB-CZ 4.47Å; F209-F265 HydrophobicContact CD1-CZ 4.19Å; F209-F265 AromaticContact CD2-CE1 3.71Å; F209-F265 HydrophobicContact CD2-CE1 3.71Å; F209-F265 AromaticContact CD2-CZ 3.8Å; F209-F265 HydrophobicContact CD2-CZ 3.8Å; F209-F265 HydrophobicContact CE1-CZ 4.4Å; F209-F265 AromaticContact CE2-CE1 3.57Å; F209-F265 HydrophobicContact CE2-CE1 3.57Å; F209-F265 HydrophobicContact CE2-CZ 4.04Å; F209-F265 HydrophobicContact CG-CE1 4.25Å; F209-F265 AromaticContact CG-CZ 3.88Å; F209-F265 HydrophobicContact CG-CZ 3.88Å; F209-F265 AromaticContact CZ-CE1 4Å; F209-F265 HydrophobicContact CZ-CE1 4Å; F209-F265 HydrophobicContact CZ-CZ 4.32Å
210D91.7Very high94.9Very high111 Ų11137.8 Ų37.859%0.59419%0.19SC*.Hα-helixtrans-71.5-30.3-178.9-69.5-17.2000113.1D206 S207 L208 K260D206-D210 PolarHBondContact O-N 3.17Å; S207-D210 PolarHBondContact O-N 3.17Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.01Å; D210-K260 IonicContact OD1-NZ 3.53Å; D210-K260 PolarHBondContact OD1-NZ 3.43Å
211V94.1Very high95Very high91 Ų9137.3 Ų37.355%0.55219%0.188SC*.Hα-helixtrans-94.7-15.2179.4-55.80000114.4S207 L208S207-V211 WeakPolarHBondContact O-CG2 3.42Å; S207-V211 PolarHBondContact O-N 3.45Å; L208-V211 PolarHBondContact O-N 3.16Å
212H95.6Very high95Very high11 Ų1137.8 Ų37.85%0.05119%0.19CC..  trans-73139.5-177.2-177.478.6000111.5V2 L110 V113 Y115 L208 G214 V216 L217V2-H212 HydrophobicContact CG2-CB 3.86Å; V2-H212 WeakPolarHBondContact CG2-O 3.34Å; L110-H212 PolarHBondContact O-CE1 3.2Å; L110-H212 PolarHBondContact O-NE2 3.08Å; V113-H212 PolarHBondContact O-CE1 3.44Å; Y115-H212 AromaticContact CE2-ND1 3.92Å; L208-H212 WeakPolarHBondContact O-CB 3.44Å; L208-H212 PolarHBondContact O-N 2.56Å; H212-G214 PolarHBondContact CD2-N 2.98Å; H212-G214 WeakPolarHBondContact NE2-CA 3.26Å; H212-G214 PolarHBondContact NE2-N 3.39Å; H212-V216 PolarHBondContact NE2-O 3.38Å; H212-V216 VanDerWaalsContact NE2-O 3.1Å; H212-L217 HydrophobicContact CB-CD1 4.16Å
213K93.5Very high94.8Very high186 Ų18634.3 Ų34.381%0.80918%0.175SC*.  trans-103.1-17.9-172.9-63.3-174.6180-178.80113.9
214G94.2Very high94.4Very high5 Ų527.9 Ų27.95%0.05215%0.147CC..SBendtrans-74.4171.1177.800000112.9V2 C109 H212V2-G214 VanDerWaalsContact CA-O 3.25Å; V2-G214 WeakPolarHBondContact CA-O 3.18Å; V2-G214 WeakPolarHBondContact CG2-O 3.3Å; C109-G214 CarbonylContact O-C 3.53Å; C109-G214 WeakPolarHBondContact O-CA 3.48Å; H212-G214 PolarHBondContact CD2-N 2.98Å; H212-G214 WeakPolarHBondContact NE2-CA 3.26Å; H212-G214 PolarHBondContact NE2-N 3.39Å
215D94Very high94.1Very high69 Ų6927.8 Ų27.837%0.36915%0.146SC..SBendtrans-75.8-30172.6-61.8-31.7000111.3T3 Q4 C109T3-D215 PolarHBondContact N-O 3.29Å; T3-D215 PolarHBondContact OG1-O 3.04Å; T3-D215 VanDerWaalsContact OG1-O 3.12Å; Q4-D215 PolarHBondContact N-O 3.24Å; C109-D215 HydrophobicContact CB-CB 4.29Å; C109-D215 PolarHBondContact O-N 3.31Å
216V95.6Very high93.9Very high0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-122.8112.5-176-179.10000110.1Q4 L6 F106 C109 L110 H212 L218Q4-V216 HydrophobicContact CB-CG2 4.25Å; Q4-V216 CarbonylContact O-C 3.57Å; Q4-V216 WeakPolarHBondContact O-CA 3.34Å; L6-V216 HydrophobicContact CB-CG1 4.01Å; F106-V216 HydrophobicContact CE2-CG1 4.3Å; F106-V216 HydrophobicContact CZ-CG1 4Å; C109-V216 HydrophobicContact CB-CB 4.28Å; C109-V216 HydrophobicContact CB-CG2 3.9Å; C109-V216 PolarHBondContact O-N 3.38Å; L110-V216 HydrophobicContact CD2-CB 4.24Å; L110-V216 HydrophobicContact CD2-CG1 4.25Å; L110-V216 WeakPolarHBondContact CD2-O 3.45Å; H212-V216 PolarHBondContact NE2-O 3.38Å; H212-V216 VanDerWaalsContact NE2-O 3.1Å; V216-L218 PolarHBondContact O-N 3.47Å
217L97.3Very high93.5Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-80.5103.8167.7175.658.4000109.6V2 Q4 L5 L6 Y115 L208 F209 H212 L219V2-L217 HydrophobicContact CG1-CB 3.99Å; Q4-L217 PolarHBondContact O-N 3.15Å; L5-L217 HydrophobicContact CD1-CB 4.31Å; L5-L217 HydrophobicContact CD1-CD2 3.94Å; L5-L217 HydrophobicContact CD1-CG 3.98Å; L6-L217 PolarHBondContact N-O 2.91Å; Y115-L217 HydrophobicContact CD2-CD1 3.38Å; Y115-L217 HydrophobicContact CE2-CD1 3.41Å; Y115-L217 VanDerWaalsContact CE2-CD1 3.41Å; L208-L217 HydrophobicContact CB-CD2 3.92Å; F209-L217 HydrophobicContact CB-CD2 4.09Å; F209-L217 HydrophobicContact CD2-CD2 4.11Å; H212-L217 HydrophobicContact CB-CD1 4.16Å; L217-L219 HydrophobicContact CD1-CD2 3.77Å; L217-L219 HydrophobicContact CD2-CD2 4.25Å; L217-L219 HydrophobicContact CG-CD2 3.82Å; L217-L219 HydrophobicContact CG-CG 4.26Å
218L98Very high93.2Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-89.1122.6174.717160.1000111.4L6 I8 F106 L110 A114 Y115 L126 V216 V220L6-L218 HydrophobicContact CB-CD1 4.49Å; L6-L218 HydrophobicContact CD2-CD1 3.96Å; L6-L218 HydrophobicContact CG-CD1 4.24Å; I8-L218 HydrophobicContact CD1-CD1 3.76Å; I8-L218 HydrophobicContact CG1-CD1 4.16Å; F106-L218 HydrophobicContact CE1-CD2 4.43Å; L110-L218 HydrophobicContact CD1-CD2 4.28Å; L110-L218 HydrophobicContact CD2-CB 3.68Å; L110-L218 HydrophobicContact CD2-CD2 4.41Å; A114-L218 HydrophobicContact CB-CB 4.2Å; A114-L218 HydrophobicContact CB-CD2 4.18Å; A114-L218 HydrophobicContact CB-CG 4.29Å; Y115-L218 PolarHBondContact N-O 3.19Å; L126-L218 HydrophobicContact CD1-CD2 3.57Å; L126-L218 HydrophobicContact CD1-CG 4.12Å; V216-L218 PolarHBondContact O-N 3.47Å; L218-V220 HydrophobicContact CD1-CG2 4.37Å
219L98.3Very high93Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-118.2131.7173.4-49.3-173.4000110.7L5 L6 V7 I8 Y115 L146 V205 L208 L217L5-L219 HydrophobicContact CD1-CD1 3.65Å; L5-L219 HydrophobicContact CD1-CG 3.83Å; L6-L219 PolarHBondContact O-N 2.84Å; V7-L219 WeakPolarHBondContact CA-O 2.97Å; V7-L219 HydrophobicContact CG1-CB 4.37Å; V7-L219 HydrophobicContact CG2-CB 4.47Å; V7-L219 HydrophobicContact CG2-CD1 4.21Å; I8-L219 PolarHBondContact N-O 3.05Å; Y115-L219 HydrophobicContact CD2-CD2 4.06Å; Y115-L219 HydrophobicContact CG-CD2 4.17Å; Y115-L219 CarbonylContact O-C 3.58Å; Y115-L219 WeakPolarHBondContact O-CA 3.29Å; L146-L219 HydrophobicContact CD1-CD2 4.36Å; L146-L219 HydrophobicContact CD2-CD1 4.47Å; V205-L219 HydrophobicContact CG1-CD1 4.07Å; V205-L219 HydrophobicContact CG2-CD1 3.69Å; L208-L219 HydrophobicContact CD1-CD2 3.89Å; L217-L219 HydrophobicContact CD1-CD2 3.77Å; L217-L219 HydrophobicContact CD2-CD2 4.25Å; L217-L219 HydrophobicContact CG-CD2 3.82Å; L217-L219 HydrophobicContact CG-CG 4.26Å
220V98.3Very high92.8Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-113.4118.5169.2179.20000110.5I8 Y115 C116 S117 C122 T125 L126 L129 L218I8-V220 HydrophobicContact CB-CG2 4.43Å; I8-V220 WeakPolarHBondContact O-CA 3.21Å; Y115-V220 PolarHBondContact O-N 3.36Å; C116-V220 CarbonylContact C-O 3.55Å; C116-V220 WeakPolarHBondContact CA-O 3.19Å; C116-V220 HydrophobicContact CB-CB 4.05Å; C116-V220 WeakPolarHBondContact CB-O 3.49Å; S117-V220 PolarHBondContact N-O 3.48Å; C122-V220 HydrophobicContact CB-CG1 4.06Å; C122-V220 WeakPolarHBondContact O-CG1 2.83Å; T125-V220 HydrophobicContact CG2-CG1 3.7Å; T125-V220 HydrophobicContact CG2-CG2 4.45Å; L126-V220 HydrophobicContact CB-CB 4.26Å; L126-V220 HydrophobicContact CB-CG2 3.91Å; L126-V220 HydrophobicContact CD1-CG2 3.93Å; L126-V220 HydrophobicContact CG-CG2 4.37Å; L129-V220 HydrophobicContact CD1-CG2 4.28Å; L218-V220 HydrophobicContact CD1-CG2 4.37Å
221T95.7Very high92.5Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-145.6-167.3-175.2-174.40000111.2V7 I8 R9 A10 L146 N225 I229V7-T221 HydrophobicContact CG1-CG2 3.67Å; I8-T221 PolarHBondContact O-N 3.44Å; R9-T221 CarbonylContact C-O 3.52Å; R9-T221 VanDerWaalsContact CA-O 3.29Å; R9-T221 WeakPolarHBondContact CA-O 3.27Å; A10-T221 PolarHBondContact N-O 2.93Å; L146-T221 PolarHBondContact O-OG1 3.44Å; T221-N225 HydrophobicContact CG2-CB 3.54Å; T221-N225 WeakPolarHBondContact OG1-CB 3.4Å; T221-N225 PolarHBondContact OG1-ND2 3.13Å; T221-I229 HydrophobicContact CG2-CD1 4.33Å
222Q91.2Very high92.1Very high10 Ų1018.8 Ų18.85%0.04710%0.097CC..  trans-89.9169.3178.1-63-61-2100112.6C121 C122 D148 N225 L226C121-Q222 PolarHBondContact SG-NE2 2.81Å; C122-Q222 PolarHBondContact SG-NE2 3.05Å; D148-Q222 HydrophobicContact CB-CB 4.1Å; D148-Q222 HydrophobicContact CB-CG 3.94Å; D148-Q222 WeakPolarHBondContact OD2-CB 3.39Å; Q222-N225 PolarHBondContact O-N 2.86Å; Q222-L226 PolarHBondContact O-N 3.23Å
223G88.4Confident91.8Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-57.5-48.4-179.100000114.2N225 L226 A227G223-N225 VanDerWaalsContact C-N 3.32Å; G223-N225 PolarHBondContact O-N 2.73Å; G223-L226 PolarHBondContact O-N 3.34Å; G223-A227 PolarHBondContact O-N 3.17Å
224P86.1Confident91.6Very high4 Ų413.6 Ų13.63%0.0267%0.072CC..Hα-helixtrans-52-46.2173-30.337.6000114D148 H152 F197 L226 A227 A228 L247D148-P224 VanDerWaalsContact OD1-CB 3.29Å; D148-P224 WeakPolarHBondContact OD1-CB 3.37Å; D148-P224 WeakPolarHBondContact OD1-CG 3.42Å; D148-P224 WeakPolarHBondContact OD2-CG 3.46Å; H152-P224 HydrophobicContact CB-CG 4.26Å; H152-P224 VanDerWaalsContact CD2-CG 3.42Å; H152-P224 WeakPolarHBondContact CD2-CG 3.46Å; F197-P224 HydrophobicContact CE1-CB 4.48Å; F197-P224 HydrophobicContact CZ-CB 4.27Å; P224-L226 VanDerWaalsContact C-N 3.34Å; P224-L226 PolarHBondContact O-N 3.45Å; P224-A227 PolarHBondContact O-N 3.45Å; P224-A228 WeakPolarHBondContact O-CB 3.49Å; P224-A228 PolarHBondContact O-N 3.43Å; P224-L247 HydrophobicContact CB-CD1 3.97Å; P224-L247 HydrophobicContact CG-CB 4.07Å; P224-L247 HydrophobicContact CG-CD1 4.27Å
225N90.6Very high91.1Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-63.3-40.1-178.6-60.562.9000111.6L146 A147 D148 F197 Q201 T221 Q222 G223 A227 A228 I229L146-N225 PolarHBondContact O-ND2 3.09Å; A147-N225 PolarHBondContact O-ND2 2.95Å; D148-N225 PolarHBondContact OD1-OD1 3.28Å; F197-N225 HydrophobicContact CZ-CB 4.49Å; Q201-N225 PolarHBondContact NE2-ND2 3.24Å; Q201-N225 PolarHBondContact OE1-ND2 3.21Å; T221-N225 HydrophobicContact CG2-CB 3.54Å; T221-N225 WeakPolarHBondContact OG1-CB 3.4Å; T221-N225 PolarHBondContact OG1-ND2 3.13Å; Q222-N225 PolarHBondContact O-N 2.86Å; G223-N225 VanDerWaalsContact C-N 3.32Å; G223-N225 PolarHBondContact O-N 2.73Å; N225-A227 VanDerWaalsContact C-N 3.3Å; N225-A227 PolarHBondContact O-N 3.27Å; N225-A228 PolarHBondContact O-N 3.35Å; N225-I229 HydrophobicContact CB-CD1 4.32Å; N225-I229 VanDerWaalsContact O-CB 3.29Å; N225-I229 WeakPolarHBondContact O-CB 3.4Å; N225-I229 WeakPolarHBondContact O-CD1 3.29Å; N225-I229 WeakPolarHBondContact O-CG1 3.4Å; N225-I229 PolarHBondContact O-N 2.97Å
226L90.3Very high90.3Very high22 Ų2220.6 Ų20.612%0.11510%0.1CC..Hα-helixtrans-57.4-44.5176.9-173.8152.3000111.5V7 Q222 G223 P224 S230 A254 C256V7-L226 HydrophobicContact CG1-CB 4.43Å; V7-L226 HydrophobicContact CG1-CG 4.44Å; Q222-L226 PolarHBondContact O-N 3.23Å; G223-L226 PolarHBondContact O-N 3.34Å; P224-L226 VanDerWaalsContact C-N 3.34Å; P224-L226 PolarHBondContact O-N 3.45Å; L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.26Å; L226-S230 PolarHBondContact O-N 2.96Å; L226-S230 VanDerWaalsContact O-N 3.11Å; L226-A254 HydrophobicContact CD1-CB 4.46Å; L226-A254 WeakPolarHBondContact CD1-O 3.16Å; L226-C256 HydrophobicContact CD2-CB 4.26Å; L226-C256 HydrophobicContact CG-CB 4.47Å
227A85.6Confident89Confident17 Ų1724.8 Ų24.814%0.1413%0.127CC..Hα-helixtrans-67.4-47.1176.800000111.8G223 P224 N225 S230 H231 L247G223-A227 PolarHBondContact O-N 3.17Å; P224-A227 PolarHBondContact O-N 3.45Å; N225-A227 VanDerWaalsContact C-N 3.3Å; N225-A227 PolarHBondContact O-N 3.27Å; A227-S230 PolarHBondContact O-N 3.29Å; A227-H231 WeakPolarHBondContact O-CB 3.3Å; A227-H231 PolarHBondContact O-CD2 2.85Å; A227-H231 VanDerWaalsContact O-CD2 3.26Å; A227-H231 PolarHBondContact O-N 3.43Å; A227-L247 HydrophobicContact CB-CD2 3.5Å
228A88.1Confident87.3Confident2 Ų228.2 Ų28.22%0.01715%0.145CC..Hα-helixtrans-61.1-46.8179.900000112.3F197 Q201 P224 N225 H231 A232F197-A228 HydrophobicContact CD1-CB 4.24Å; F197-A228 HydrophobicContact CE1-CB 3.57Å; F197-A228 HydrophobicContact CZ-CB 4.17Å; Q201-A228 HydrophobicContact CG-CB 4.12Å; P224-A228 WeakPolarHBondContact O-CB 3.49Å; P224-A228 PolarHBondContact O-N 3.43Å; N225-A228 PolarHBondContact O-N 3.35Å; A228-H231 PolarHBondContact O-N 3.28Å; A228-A232 WeakPolarHBondContact O-CB 3.37Å; A228-A232 PolarHBondContact O-N 2.89Å
229I91.8Very high85.3Confident0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-60.8-49.8177.5-66.9164.6000110L5 V7 L146 Q201 V205 T221 N225 H231 A232 L233 M258L5-I229 HydrophobicContact CD2-CG2 4.39Å; V7-I229 HydrophobicContact CG1-CD1 4.11Å; V7-I229 HydrophobicContact CG2-CG2 4.21Å; L146-I229 HydrophobicContact CD2-CD1 4.36Å; Q201-I229 HydrophobicContact CB-CG1 3.86Å; Q201-I229 HydrophobicContact CG-CG1 4.28Å; V205-I229 HydrophobicContact CB-CG2 4.5Å; V205-I229 HydrophobicContact CG1-CG2 4.29Å; V205-I229 HydrophobicContact CG2-CD1 3.9Å; V205-I229 HydrophobicContact CG2-CG1 3.96Å; V205-I229 HydrophobicContact CG2-CG2 4.08Å; T221-I229 HydrophobicContact CG2-CD1 4.33Å; N225-I229 HydrophobicContact CB-CD1 4.32Å; N225-I229 VanDerWaalsContact O-CB 3.29Å; N225-I229 WeakPolarHBondContact O-CB 3.4Å; N225-I229 WeakPolarHBondContact O-CD1 3.29Å; N225-I229 WeakPolarHBondContact O-CG1 3.4Å; N225-I229 PolarHBondContact O-N 2.97Å; I229-H231 PolarHBondContact O-N 3.06Å; I229-A232 PolarHBondContact O-N 2.97Å; I229-L233 HydrophobicContact CG2-CD1 3.59Å; I229-L233 HydrophobicContact CG2-CG 4.2Å; I229-L233 WeakPolarHBondContact O-CB 3.26Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 2.97Å; I229-M258 HydrophobicContact CG2-CE 4.1Å
230S89.4Confident83.1Confident11 Ų1142.4 Ų42.48%0.07721%0.213CC..Hα-helixtrans-58.7-47.5-180179.90000111.9L226 A227 R234L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.26Å; L226-S230 PolarHBondContact O-N 2.96Å; L226-S230 VanDerWaalsContact O-N 3.11Å; A227-S230 PolarHBondContact O-N 3.29Å; S230-R234 VanDerWaalsContact O-CB 3.29Å; S230-R234 WeakPolarHBondContact O-CB 3.38Å; S230-R234 WeakPolarHBondContact O-CD 3.49Å; S230-R234 WeakPolarHBondContact O-CG 3.5Å; S230-R234 PolarHBondContact O-N 3.45Å
231H87Confident80.9Confident42 Ų4247.7 Ų47.719%0.19424%0.242CC..Hα-helixtrans-65.7-48.3179.6-84.1-108.1000112.1A227 A228 I229 L233 R234 K235 M236 P237 L238 I242A227-H231 WeakPolarHBondContact O-CB 3.3Å; A227-H231 PolarHBondContact O-CD2 2.85Å; A227-H231 VanDerWaalsContact O-CD2 3.26Å; A227-H231 PolarHBondContact O-N 3.43Å; A228-H231 PolarHBondContact O-N 3.28Å; I229-H231 PolarHBondContact O-N 3.06Å; H231-L233 PolarHBondContact O-N 3.42Å; H231-R234 PolarHBondContact O-N 2.85Å; H231-K235 PolarHBondContact O-N 2.82Å; H231-M236 PolarHBondContact O-N 3.23Å; H231-P237 PolarHBondContact ND1-O 2.96Å; H231-L238 HydrophobicContact CB-CD1 3.71Å; H231-L238 HydrophobicContact CB-CG 3.87Å; H231-I242 WeakPolarHBondContact NE2-CD1 3.41Å
232A85.9Confident79.2Confident16 Ų1649.2 Ų49.213%0.13225%0.25CC..Hα-helixtrans-66-40.8-174.500000112.5K202 A228 I229 R234 K235K202-A232 HydrophobicContact CB-CB 3.87Å; K202-A232 HydrophobicContact CD-CB 4.31Å; K202-A232 HydrophobicContact CG-CB 4.28Å; A228-A232 WeakPolarHBondContact O-CB 3.37Å; A228-A232 PolarHBondContact O-N 2.89Å; I229-A232 PolarHBondContact O-N 2.97Å; A232-R234 VanDerWaalsContact C-N 3.33Å; A232-R234 PolarHBondContact O-N 2.95Å; A232-K235 PolarHBondContact O-N 3.42Å
233L88.1Confident78.2Confident6 Ų651.6 Ų51.63%0.03127%0.265CS..Hα-helixtrans-73.4-25179.5-67-178000113.6L5 K202 V205 D206 I229 H231 K235 M258 F265L5-L233 HydrophobicContact CD2-CD1 3.39Å; K202-L233 HydrophobicContact CG-CD2 4.2Å; V205-L233 HydrophobicContact CB-CD1 4.43Å; V205-L233 HydrophobicContact CG1-CD1 3.74Å; D206-L233 WeakPolarHBondContact OD1-CD2 3.47Å; I229-L233 HydrophobicContact CG2-CD1 3.59Å; I229-L233 HydrophobicContact CG2-CG 4.2Å; I229-L233 WeakPolarHBondContact O-CB 3.26Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 2.97Å; H231-L233 PolarHBondContact O-N 3.42Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-M258 HydrophobicContact CD1-CE 4.23Å; L233-M258 HydrophobicContact CD1-SD 4.46Å; L233-F265 HydrophobicContact CB-CB 3.97Å; L233-F265 HydrophobicContact CB-CD2 3.73Å; L233-F265 HydrophobicContact CB-CE2 4.48Å; L233-F265 HydrophobicContact CB-CG 3.99Å; L233-F265 HydrophobicContact CD1-CD1 4.5Å; L233-F265 HydrophobicContact CD1-CD2 4.14Å; L233-F265 HydrophobicContact CD1-CE2 4.27Å; L233-F265 HydrophobicContact CD1-CG 4.24Å; L233-F265 HydrophobicContact CD2-CD2 4.05Å; L233-F265 HydrophobicContact CD2-CE2 3.97Å; L233-F265 HydrophobicContact CG-CD2 4.2Å; L233-F265 HydrophobicContact CG-CE2 4.48Å; L233-F265 PolarHBondContact O-N 3.24Å
234R88.9Confident77.2Confident82 Ų8253.4 Ų53.431%0.30928%0.275SS..THydrogen-bonded Turntrans-87.50.4175.8-66.3170.366.9-153.4-4.4113.1S230 H231 A232 M236 F265S230-R234 VanDerWaalsContact O-CB 3.29Å; S230-R234 WeakPolarHBondContact O-CB 3.38Å; S230-R234 WeakPolarHBondContact O-CD 3.49Å; S230-R234 WeakPolarHBondContact O-CG 3.5Å; S230-R234 PolarHBondContact O-N 3.45Å; H231-R234 PolarHBondContact O-N 2.85Å; A232-R234 VanDerWaalsContact C-N 3.33Å; A232-R234 PolarHBondContact O-N 2.95Å; R234-M236 HydrophobicContact CB-CG 3.96Å; R234-M236 PolarHBondContact NH2-SD 2.85Å; R234-M236 VanDerWaalsContact NH2-SD 3.38Å; R234-M236 PolarHBondContact O-N 2.77Å; R234-F265 WeakPolarHBondContact CG-O 2.86Å
235K83.9Confident76.5Confident142 Ų14256.9 Ų56.962%0.61730%0.298SS*.THydrogen-bonded Turntrans5331.2-172.2-53.9-178.7-178.5179.10112.3H231 A232 L233 I264H231-K235 PolarHBondContact O-N 2.82Å; A232-K235 PolarHBondContact O-N 3.42Å; L233-K235 VanDerWaalsContact C-N 3.3Å; K235-I264 HydrophobicContact CD-CG1 4.4Å
236M77.1Confident75.6Confident78 Ų7861.9 Ų61.938%0.38432%0.323SS..  trans-80.9136.3171.8-68.4-164.772.300108.1H231 R234 L238H231-M236 PolarHBondContact O-N 3.23Å; R234-M236 HydrophobicContact CB-CG 3.96Å; R234-M236 PolarHBondContact NH2-SD 2.85Å; R234-M236 VanDerWaalsContact NH2-SD 3.38Å; R234-M236 PolarHBondContact O-N 2.77Å; M236-L238 PolarHBondContact O-N 3.15Å
237P68.2Low74.9Confident89 Ų8962 Ų6258%0.57832%0.323SS*.  trans-54.4130166.823.3-29.9000107.7H231 E239H231-P237 PolarHBondContact ND1-O 2.96Å; P237-E239 HydrophobicContact CB-CG 4.29Å; P237-E239 HydrophobicContact CG-CG 4.25Å; P237-E239 PolarHBondContact O-N 2.92Å
238L63Low74.3Confident71 Ų7167.1 Ų67.137%0.37234%0.343SS..  trans-70.384.1152.7-86.8108.3000104.6C198 H231 M236 I242C198-L238 HydrophobicContact CB-CD1 4.04Å; C198-L238 VanDerWaalsContact SG-CD1 3.56Å; H231-L238 HydrophobicContact CB-CD1 3.71Å; H231-L238 HydrophobicContact CB-CG 3.87Å; M236-L238 PolarHBondContact O-N 3.15Å; L238-I242 HydrophobicContact CD2-CD1 4.2Å
239E55.9Low74.1Confident124 Ų12475.2 Ų75.258%0.57938%0.377SS*.  trans-51.4148.7164.6-74.1177.1166.500107.8P237 D241 I242P237-E239 HydrophobicContact CB-CG 4.29Å; P237-E239 HydrophobicContact CG-CG 4.25Å; P237-E239 PolarHBondContact O-N 2.92Å; E239-D241 HydrophobicContact CB-CB 4.29Å; E239-D241 PolarHBondContact O-N 3.19Å; E239-I242 PolarHBondContact O-N 3.14Å
240M52.2Low73.9Confident175 Ų17576.6 Ų76.686%0.86239%0.386SS*.THydrogen-bonded Turntrans-53.5-10.6176.2-66.4179.652.200113.2I242M240-I242 PolarHBondContact O-N 2.96Å
241D52.2Low74Confident111 Ų11180.1 Ų80.159%0.59441%0.408SS*.THydrogen-bonded Turntrans-72.9-16.9-177.7-70.9-6.3000115.2E239 T243E239-D241 HydrophobicContact CB-CB 4.29Å; E239-D241 PolarHBondContact O-N 3.19Å; D241-T243 PolarHBondContact O-N 3.21Å
242I60.2Low74.2Confident32 Ų3280 Ų8016%0.16441%0.407CS..  trans-76.784168.4-56.8-176.8000109H231 L238 E239 M240 L247H231-I242 WeakPolarHBondContact NE2-CD1 3.41Å; L238-I242 HydrophobicContact CD2-CD1 4.2Å; E239-I242 PolarHBondContact O-N 3.14Å; M240-I242 PolarHBondContact O-N 2.96Å; I242-L247 HydrophobicContact CG2-CD1 4.05Å; I242-L247 HydrophobicContact CG2-CD2 3.33Å; I242-L247 HydrophobicContact CG2-CG 3.62Å
243T68.3Low74.7Confident59 Ų5979.5 Ų79.536%0.36240%0.402SS..  trans-75.8151-18067.70000110.8D241 P245 M246 L247D241-T243 PolarHBondContact O-N 3.21Å; T243-P245 VanDerWaalsContact C-CD 3.44Å; T243-P245 VanDerWaalsContact C-N 3.26Å; T243-M246 WeakPolarHBondContact O-CB 3.28Å; T243-M246 PolarHBondContact O-N 3.01Å; T243-M246 WeakPolarHBondContact OG1-CG 3.46Å; T243-M246 PolarHBondContact OG1-N 2.96Å; T243-L247 PolarHBondContact O-N 2.6Å; T243-L247 VanDerWaalsContact O-N 3.15Å
244V67.8Low75.1Confident38 Ų3880.2 Ų80.223%0.2341%0.409CS..Hα-helixtrans-49.7-42.5172.91710000112.1M246 L247 K248V244-M246 VanDerWaalsContact C-N 3.34Å; V244-M246 PolarHBondContact O-N 3.16Å; V244-L247 PolarHBondContact O-N 3.19Å; V244-K248 HydrophobicContact CG1-CD 4.37Å; V244-K248 WeakPolarHBondContact O-CG 3.32Å; V244-K248 PolarHBondContact O-N 3.36Å
245P71.9Confident75.4Confident77 Ų7777.4 Ų77.450%0.540%0.402SS..Hα-helixtrans-55.9-39.4171.8-28.635.5000115T243 K248 K249T243-P245 VanDerWaalsContact C-CD 3.44Å; T243-P245 VanDerWaalsContact C-N 3.26Å; P245-K248 PolarHBondContact O-N 3.13Å; P245-K249 WeakPolarHBondContact O-CG 3.05Å; P245-K249 PolarHBondContact O-N 2.84Å
246M72.5Confident75.9Confident105 Ų10571.1 Ų71.152%0.51738%0.376SS..Hα-helixtrans-66.9-42177.1-72.3175.767.600111.4T243 V244 K248 K249T243-M246 WeakPolarHBondContact O-CB 3.28Å; T243-M246 PolarHBondContact O-N 3.01Å; T243-M246 WeakPolarHBondContact OG1-CG 3.46Å; T243-M246 PolarHBondContact OG1-N 2.96Å; V244-M246 VanDerWaalsContact C-N 3.34Å; V244-M246 PolarHBondContact O-N 3.16Å; M246-K248 VanDerWaalsContact C-N 3.29Å; M246-K248 PolarHBondContact O-N 3.02Å; M246-K249 WeakPolarHBondContact O-CB 3.47Å; M246-K249 PolarHBondContact O-N 3.04Å
247L74.9Confident76.7Confident24 Ų2467.4 Ų67.413%0.12636%0.357CS..Hα-helixtrans-63-36.5176-62.7177.9000112.1P224 A227 I242 T243 V244 K249 V250P224-L247 HydrophobicContact CB-CD1 3.97Å; P224-L247 HydrophobicContact CG-CB 4.07Å; P224-L247 HydrophobicContact CG-CD1 4.27Å; A227-L247 HydrophobicContact CB-CD2 3.5Å; I242-L247 HydrophobicContact CG2-CD1 4.05Å; I242-L247 HydrophobicContact CG2-CD2 3.33Å; I242-L247 HydrophobicContact CG2-CG 3.62Å; T243-L247 PolarHBondContact O-N 2.6Å; T243-L247 VanDerWaalsContact O-N 3.15Å; V244-L247 PolarHBondContact O-N 3.19Å; L247-K249 PolarHBondContact O-N 3.5Å; L247-V250 WeakPolarHBondContact O-CG2 3.42Å; L247-V250 PolarHBondContact O-N 2.84Å
248K73.7Confident78Confident126 Ų12663.2 Ų63.255%0.54833%0.33SS..Hα-helixtrans-63.6-26.7174.3-72.4-173.9177.3-176.40112.5H152 V244 P245 M246H152-K248 WeakPolarHBondContact CE1-CG 3.41Å; H152-K248 WeakPolarHBondContact O-CE 3.48Å; V244-K248 HydrophobicContact CG1-CD 4.37Å; V244-K248 WeakPolarHBondContact O-CG 3.32Å; V244-K248 PolarHBondContact O-N 3.36Å; P245-K248 PolarHBondContact O-N 3.13Å; M246-K248 VanDerWaalsContact C-N 3.29Å; M246-K248 PolarHBondContact O-N 3.02Å
249K83Confident79.5Confident172 Ų17263.5 Ų63.575%0.74833%0.329SS*.THydrogen-bonded Turntrans-83.9-8.7-179.3-71.6176.6-177.8-178.50114.7P245 M246 L247 P251P245-K249 WeakPolarHBondContact O-CG 3.05Å; P245-K249 PolarHBondContact O-N 2.84Å; M246-K249 WeakPolarHBondContact O-CB 3.47Å; M246-K249 PolarHBondContact O-N 3.04Å; L247-K249 PolarHBondContact O-N 3.5Å; K249-P251 WeakPolarHBondContact O-CD 3.35Å
250V87.4Confident81.1Confident29 Ų2961.2 Ų61.218%0.17632%0.318CS..SBendtrans-56.4124.3177.5176.70000109.1R9 L247 A254R9-V250 PolarHBondContact NH1-O 2.93Å; L247-V250 WeakPolarHBondContact O-CG2 3.42Å; L247-V250 PolarHBondContact O-N 2.84Å; V250-A254 HydrophobicContact CG1-CB 3.65Å
251P91.3Very high82.7Confident84 Ų8458.6 Ų58.655%0.54530%0.303SS..PPolyproline II helixtrans-62.3146.7-178.6-25.735.4000112.5R9 K249 A254R9-P251 WeakPolarHBondContact CD-O 3.28Å; K249-P251 WeakPolarHBondContact O-CD 3.35Å; P251-A254 HydrophobicContact CB-CB 4.43Å; P251-A254 WeakPolarHBondContact O-CB 3.47Å; P251-A254 PolarHBondContact O-N 3.27Å
252K92.9Very high84.2Confident40 Ų4056.5 Ų56.517%0.17431%0.308CS..THydrogen-bonded Turntrans-59.1142.3170.7-59.2-71.5-172.3162.80108.5E12 S13 D15 A254E12-K252 HydrophobicContact CB-CG 4.28Å; S13-K252 PolarHBondContact OG-NZ 3.19Å; S13-K252 VanDerWaalsContact OG-NZ 3.17Å; D15-K252 IonicContact OD1-NZ 2.64Å; D15-K252 PolarHBondContact OD1-NZ 3.29Å; D15-K252 IonicContact OD2-NZ 3.02Å; D15-K252 PolarHBondContact OD2-NZ 3.18Å; K252-A254 PolarHBondContact O-N 2.85Å; K252-A254 VanDerWaalsContact O-N 3.17Å
253L95.9Very high85.3Confident5 Ų558.8 Ų58.83%0.02633%0.332CS..THydrogen-bonded Turntrans58.215.9-170.3-62.8170.1000115.5I8 R9 A10 A11 M91 A95 T125 C255 L272 L275I8-L253 HydrophobicContact CG2-CD2 3.87Å; R9-L253 VanDerWaalsContact O-CA 3.24Å; R9-L253 WeakPolarHBondContact O-CA 3.42Å; R9-L253 PolarHBondContact O-N 3.4Å; A10-L253 PolarHBondContact O-N 3.4Å; A11-L253 HydrophobicContact CB-CD1 4.24Å; A11-L253 HydrophobicContact CB-CD2 4Å; A11-L253 HydrophobicContact CB-CG 3.95Å; M91-L253 VanDerWaalsContact C-CD1 3.48Å; M91-L253 HydrophobicContact CB-CD1 3.59Å; M91-L253 WeakPolarHBondContact O-CD1 3.12Å; A95-L253 HydrophobicContact CB-CD1 4.21Å; T125-L253 HydrophobicContact CG2-CD2 3.99Å; L253-C255 PolarHBondContact O-N 3.48Å; L253-L272 HydrophobicContact CB-CD2 4.46Å; L253-L275 HydrophobicContact CB-CD1 4.47Å; L253-L275 HydrophobicContact CD1-CD1 4.05Å
254A95.1Very high86.2Confident22 Ų2259.4 Ų59.418%0.18233%0.332CS..  trans-55.6140.8166.400000110I8 R9 L226 V250 P251 K252I8-A254 WeakPolarHBondContact CA-O 3.35Å; R9-A254 HydrophobicContact CB-CB 4.43Å; R9-A254 PolarHBondContact N-O 3.24Å; L226-A254 HydrophobicContact CD1-CB 4.46Å; L226-A254 WeakPolarHBondContact CD1-O 3.16Å; V250-A254 HydrophobicContact CG1-CB 3.65Å; P251-A254 HydrophobicContact CB-CB 4.43Å; P251-A254 WeakPolarHBondContact O-CB 3.47Å; P251-A254 PolarHBondContact O-N 3.27Å; K252-A254 PolarHBondContact O-N 2.85Å; K252-A254 VanDerWaalsContact O-N 3.17Å
255C95.3Very high87.3Confident23 Ų2357.9 Ų57.916%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-130.4136-171.6172.80000110.1L6 V7 I8 L253 L272L6-C255 WeakPolarHBondContact CD1-SG 3.48Å; V7-C255 WeakPolarHBondContact O-CA 3.26Å; I8-C255 HydrophobicContact CG1-CB 4.38Å; L253-C255 PolarHBondContact O-N 3.48Å; C255-L272 HydrophobicContact CB-CB 3.8Å; C255-L272 HydrophobicContact CB-CD2 4.2Å; C255-L272 HydrophobicContact CB-CG 4.32Å
256C94.2Very high88.3Confident10 Ų1058.9 Ų58.97%0.06832%0.319CS..EExtended strand (participates in β ladder)trans-119.6137.8161.572.20000110V7 L226 L267V7-C256 PolarHBondContact N-O 3Å; V7-C256 PolarHBondContact O-N 2.92Å; L226-C256 HydrophobicContact CD2-CB 4.26Å; L226-C256 HydrophobicContact CG-CB 4.47Å; C256-L267 HydrophobicContact CB-CD2 3.91Å
257T95.7Very high89.3Confident0 Ų057.6 Ų57.60%031%0.313CS..EExtended strand (participates in β ladder)trans-115.6131.6173.3-53.70000107.8L5 L6 V268 P270 L271L5-T257 CarbonylContact O-C 3.57Å; L5-T257 WeakPolarHBondContact O-CA 3.43Å; L6-T257 HydrophobicContact CD1-CG2 4.4Å; L6-T257 WeakPolarHBondContact CD1-OG1 3.47Å; T257-V268 HydrophobicContact CG2-CG2 3.53Å; T257-V268 PolarHBondContact O-N 2.63Å; T257-P270 WeakPolarHBondContact OG1-CA 3.2Å; T257-L271 HydrophobicContact CG2-CD1 4.18Å; T257-L271 HydrophobicContact CG2-CG 3.95Å; T257-L271 PolarHBondContact OG1-N 3.28Å
258M95.4Very high90.2Very high0 Ų058.6 Ų58.60%032%0.321CS..EExtended strand (participates in β ladder)trans-129.9146.5179.3-66.5172-7900110.9Q4 L5 V7 I229 L233 F265 K266 L267Q4-M258 CarbonylContact C-O 3.11Å; Q4-M258 WeakPolarHBondContact CA-O 3.32Å; L5-M258 HydrophobicContact CB-CB 4.39Å; L5-M258 HydrophobicContact CD2-CE 3.4Å; L5-M258 HydrophobicContact CG-CE 3.88Å; L5-M258 PolarHBondContact N-O 2.95Å; L5-M258 PolarHBondContact O-N 3.39Å; V7-M258 HydrophobicContact CG2-CE 4.05Å; I229-M258 HydrophobicContact CG2-CE 4.1Å; L233-M258 HydrophobicContact CD1-CE 4.23Å; L233-M258 HydrophobicContact CD1-SD 4.46Å; M258-F265 HydrophobicContact CB-CB 4.22Å; M258-F265 HydrophobicContact CB-CD1 4.05Å; M258-F265 HydrophobicContact SD-CB 4.28Å; M258-K266 CarbonylContact C-O 3.44Å; M258-K266 WeakPolarHBondContact CA-O 3.41Å; M258-L267 HydrophobicContact CG-CD2 3.72Å; M258-L267 HydrophobicContact CG-CG 4.32Å
259E93.7Very high91.1Very high77 Ų7763.3 Ų63.336%0.3634%0.335SS..EExtended strand (participates in β ladder)trans-115.9140.6172.7-72.2177.1-178.600109.3T3 Q4 F265 K266 V268T3-E259 WeakPolarHBondContact O-CA 3.41Å; Q4-E259 HydrophobicContact CG-CG 3.67Å; Q4-E259 PolarHBondContact NE2-OE1 3.33Å; E259-F265 CarbonylContact O-C 3.56Å; E259-F265 VanDerWaalsContact O-CA 3.32Å; E259-F265 WeakPolarHBondContact O-CA 3.41Å; E259-K266 PolarHBondContact N-O 2.99Å; E259-K266 PolarHBondContact O-N 2.93Å; E259-V268 HydrophobicContact CB-CG1 4.2Å; E259-V268 HydrophobicContact CG-CG1 3.96Å; E259-V268 HydrophobicContact CG-CG2 4.09Å
260K88.9Confident91.6Very high77 Ų7757.7 Ų57.734%0.33532%0.316SS..EExtended strand (participates in β ladder)trans-85.9115.6177.7-168.9174.6-176.6175.40109F209 D210 F265F209-K260 HydrophobicContact CD1-CD 3.81Å; F209-K260 HydrophobicContact CE1-CB 3.95Å; F209-K260 HydrophobicContact CE1-CD 3.4Å; F209-K260 VanDerWaalsContact CE1-CD 3.4Å; F209-K260 HydrophobicContact CE1-CG 4.32Å; F209-K260 HydrophobicContact CZ-CB 3.76Å; F209-K260 HydrophobicContact CZ-CD 4.1Å; D210-K260 IonicContact OD1-NZ 3.53Å; D210-K260 PolarHBondContact OD1-NZ 3.43Å; K260-F265 HydrophobicContact CB-CD1 4.13Å; K260-F265 HydrophobicContact CB-CE1 3.83Å; K260-F265 HydrophobicContact CB-CZ 4.11Å; K260-F265 HydrophobicContact CD-CE1 4.46Å; K260-F265 HydrophobicContact CD-CE2 4.21Å; K260-F265 HydrophobicContact CD-CZ 3.89Å; K260-F265 HydrophobicContact CG-CE1 4.3Å; K260-F265 HydrophobicContact CG-CE2 4.23Å; K260-F265 HydrophobicContact CG-CZ 4.08Å
261E85.8Confident91.9Very high120 Ų12057.1 Ų57.156%0.56131%0.312SS*.EExtended strand (participates in β ladder)trans-11497.5174.2-165-179.5133.800108.6A263 I264 K266E261-A263 PolarHBondContact O-N 2.8Å; E261-I264 PolarHBondContact N-O 3.19Å; E261-I264 PolarHBondContact O-N 2.9Å; E261-K266 IonicContact OE1-NZ 3.29Å; E261-K266 PolarHBondContact OE1-NZ 2.96Å; E261-K266 VanDerWaalsContact OE2-CD 3.26Å; E261-K266 WeakPolarHBondContact OE2-CD 3.39Å; E261-K266 WeakPolarHBondContact OE2-CE 3.3Å; E261-K266 IonicContact OE2-NZ 3.04Å; E261-K266 PolarHBondContact OE2-NZ 2.84Å
262G84.4Confident92.1Very high67 Ų6753.2 Ų53.269%0.69129%0.286SS*.THydrogen-bonded Turntrans64.7-115.5-17100000111.9
263A83.2Confident92.1Very high80 Ų8053.4 Ų53.466%0.66129%0.292SS*.THydrogen-bonded Turntrans-101.28.6-177.100000114E261E261-A263 PolarHBondContact O-N 2.8Å
264I86.4Confident92Very high71 Ų7158.6 Ų58.636%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-131.7141.3-175.6-54.2177.2000109K235 E261K235-I264 HydrophobicContact CD-CG1 4.4Å; E261-I264 PolarHBondContact N-O 3.19Å; E261-I264 PolarHBondContact O-N 2.9Å
265F91.9Very high91.8Very high6 Ų658.7 Ų58.73%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-88.6139.2170.2-73.5-98000110.3L5 F209 L233 R234 M258 E259 K260L5-F265 HydrophobicContact CB-CE1 4.23Å; L5-F265 HydrophobicContact CD2-CD1 4.39Å; L5-F265 HydrophobicContact CD2-CE1 4.19Å; F209-F265 HydrophobicContact CB-CZ 4.47Å; F209-F265 HydrophobicContact CD1-CZ 4.19Å; F209-F265 AromaticContact CD2-CE1 3.71Å; F209-F265 HydrophobicContact CD2-CE1 3.71Å; F209-F265 AromaticContact CD2-CZ 3.8Å; F209-F265 HydrophobicContact CD2-CZ 3.8Å; F209-F265 HydrophobicContact CE1-CZ 4.4Å; F209-F265 AromaticContact CE2-CE1 3.57Å; F209-F265 HydrophobicContact CE2-CE1 3.57Å; F209-F265 HydrophobicContact CE2-CZ 4.04Å; F209-F265 HydrophobicContact CG-CE1 4.25Å; F209-F265 AromaticContact CG-CZ 3.88Å; F209-F265 HydrophobicContact CG-CZ 3.88Å; F209-F265 AromaticContact CZ-CE1 4Å; F209-F265 HydrophobicContact CZ-CE1 4Å; F209-F265 HydrophobicContact CZ-CZ 4.32Å; L233-F265 HydrophobicContact CB-CB 3.97Å; L233-F265 HydrophobicContact CB-CD2 3.73Å; L233-F265 HydrophobicContact CB-CE2 4.48Å; L233-F265 HydrophobicContact CB-CG 3.99Å; L233-F265 HydrophobicContact CD1-CD1 4.5Å; L233-F265 HydrophobicContact CD1-CD2 4.14Å; L233-F265 HydrophobicContact CD1-CE2 4.27Å; L233-F265 HydrophobicContact CD1-CG 4.24Å; L233-F265 HydrophobicContact CD2-CD2 4.05Å; L233-F265 HydrophobicContact CD2-CE2 3.97Å; L233-F265 HydrophobicContact CG-CD2 4.2Å; L233-F265 HydrophobicContact CG-CE2 4.48Å; L233-F265 PolarHBondContact O-N 3.24Å; R234-F265 WeakPolarHBondContact CG-O 2.86Å; M258-F265 HydrophobicContact CB-CB 4.22Å; M258-F265 HydrophobicContact CB-CD1 4.05Å; M258-F265 HydrophobicContact SD-CB 4.28Å; E259-F265 CarbonylContact O-C 3.56Å; E259-F265 VanDerWaalsContact O-CA 3.32Å; E259-F265 WeakPolarHBondContact O-CA 3.41Å; K260-F265 HydrophobicContact CB-CD1 4.13Å; K260-F265 HydrophobicContact CB-CE1 3.83Å; K260-F265 HydrophobicContact CB-CZ 4.11Å; K260-F265 HydrophobicContact CD-CE1 4.46Å; K260-F265 HydrophobicContact CD-CE2 4.21Å; K260-F265 HydrophobicContact CD-CZ 3.89Å; K260-F265 HydrophobicContact CG-CE1 4.3Å; K260-F265 HydrophobicContact CG-CE2 4.23Å; K260-F265 HydrophobicContact CG-CZ 4.08Å
266K92.5Very high91.2Very high99 Ų9967 Ų6743%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-113.8137.5172.5-68.1-173.6-175171.30109.7M258 E259 E261M258-K266 CarbonylContact C-O 3.44Å; M258-K266 WeakPolarHBondContact CA-O 3.41Å; E259-K266 PolarHBondContact N-O 2.99Å; E259-K266 PolarHBondContact O-N 2.93Å; E261-K266 IonicContact OE1-NZ 3.29Å; E261-K266 PolarHBondContact OE1-NZ 2.96Å; E261-K266 VanDerWaalsContact OE2-CD 3.26Å; E261-K266 WeakPolarHBondContact OE2-CD 3.39Å; E261-K266 WeakPolarHBondContact OE2-CE 3.3Å; E261-K266 IonicContact OE2-NZ 3.04Å; E261-K266 PolarHBondContact OE2-NZ 2.84Å
267L92.7Very high90.1Very high77 Ų7770.6 Ų70.640%0.40338%0.381SS..EExtended strand (participates in β ladder)trans-67.9133.8169.7-79.9170.8000109.4C256 M258C256-L267 HydrophobicContact CB-CD2 3.91Å; M258-L267 HydrophobicContact CG-CD2 3.72Å; M258-L267 HydrophobicContact CG-CG 4.32Å
268V94.1Very high89Confident46 Ų4676 Ų7628%0.27942%0.416SS..EExtended strand (participates in β ladder)trans-120.1177.3172.1-61.40000109.5T257 E259 P270T257-V268 HydrophobicContact CG2-CG2 3.53Å; T257-V268 PolarHBondContact O-N 2.63Å; E259-V268 HydrophobicContact CB-CG1 4.2Å; E259-V268 HydrophobicContact CG-CG1 3.96Å; E259-V268 HydrophobicContact CG-CG2 4.09Å; V268-P270 WeakPolarHBondContact O-CD 3.4Å
269R93.7Very high87.7Confident225 Ų22585.2 Ų85.285%0.84946%0.456SS*.  trans-55.5127.6175.3180177-76-179-2.8109.1L271R269-L271 PolarHBondContact O-N 2.9Å
270P93.5Very high86.6Confident53 Ų5386.2 Ų86.234%0.34447%0.471SS..  trans-57.6134.5178.1-26.535000112.1T257 V268 L272T257-P270 WeakPolarHBondContact OG1-CA 3.2Å; V268-P270 WeakPolarHBondContact O-CD 3.4Å; P270-L272 VanDerWaalsContact CB-O 3.31Å; P270-L272 WeakPolarHBondContact CB-O 3.16Å; P270-L272 PolarHBondContact O-N 2.93Å
271L93.9Very high85.6Confident17 Ų1785.8 Ų85.89%0.08949%0.489CS..SBendtrans-68.2-24.4172.7-64176.3000112.4L6 L99 T102 F106 T257 R269L6-L271 HydrophobicContact CD1-CB 4.01Å; L6-L271 HydrophobicContact CD1-CD1 4.24Å; L6-L271 HydrophobicContact CD1-CG 4.35Å; L6-L271 HydrophobicContact CD2-CD1 4.38Å; L99-L271 HydrophobicContact CD2-CB 4.1Å; T102-L271 HydrophobicContact CG2-CB 4.42Å; T102-L271 HydrophobicContact CG2-CD2 3.71Å; T102-L271 PolarHBondContact OG1-O 2.67Å; T102-L271 VanDerWaalsContact OG1-O 3.13Å; F106-L271 HydrophobicContact CE2-CD1 3.92Å; T257-L271 HydrophobicContact CG2-CD1 4.18Å; T257-L271 HydrophobicContact CG2-CG 3.95Å; T257-L271 PolarHBondContact OG1-N 3.28Å; R269-L271 PolarHBondContact O-N 2.9Å
272L95.1Very high84.8Confident2 Ų286.5 Ų86.51%0.0149%0.487CS..SBendtrans-108113.7170.4177.963.6000108.5I8 A95 L99 L253 C255 P270 L275I8-L272 HydrophobicContact CD1-CD2 4.24Å; A95-L272 HydrophobicContact CB-CD1 3.67Å; A95-L272 HydrophobicContact CB-CD2 3.92Å; A95-L272 HydrophobicContact CB-CG 4.49Å; L99-L272 HydrophobicContact CD2-CB 4.1Å; L253-L272 HydrophobicContact CB-CD2 4.46Å; C255-L272 HydrophobicContact CB-CB 3.8Å; C255-L272 HydrophobicContact CB-CD2 4.2Å; C255-L272 HydrophobicContact CB-CG 4.32Å; P270-L272 VanDerWaalsContact CB-O 3.31Å; P270-L272 WeakPolarHBondContact CB-O 3.16Å; P270-L272 PolarHBondContact O-N 2.93Å; L272-L275 HydrophobicContact CD1-CD1 4.34Å
273P93.3Very high83.9Confident45 Ų4586.2 Ų86.229%0.29247%0.469SS..PPolyproline II helixtrans-63.6157.5175.626.7-35.4000111.5Y98 L275Y98-P273 HydrophobicContact CD1-CG 3.76Å; Y98-P273 HydrophobicContact CD2-CG 4.4Å; Y98-P273 HydrophobicContact CE1-CG 4.19Å; Y98-P273 HydrophobicContact CG-CG 3.89Å; P273-L275 PolarHBondContact O-N 3.23Å; P273-L275 VanDerWaalsContact O-N 3.16Å
274P92.9Very high83.2Confident113 Ų11384.9 Ų84.973%0.73445%0.449SS*.PPolyproline II helixtrans-59120.4176.3-21.532.2000111.5
275L90.7Very high82.3Confident25 Ų2588.8 Ų88.813%0.13146%0.46CS..PPolyproline II helixtrans-90.6116.6174.7-58.6-180000109.5M91 L94 A95 Y98 L253 L272 P273M91-L275 HydrophobicContact CE-CB 3.66Å; M91-L275 HydrophobicContact CE-CD1 3.99Å; M91-L275 HydrophobicContact CE-CG 4.39Å; L94-L275 HydrophobicContact CD2-CD2 4.28Å; A95-L275 HydrophobicContact CB-CD1 3.93Å; Y98-L275 HydrophobicContact CD2-CD2 3.68Å; Y98-L275 HydrophobicContact CE2-CD2 3.52Å; L253-L275 HydrophobicContact CB-CD1 4.47Å; L253-L275 HydrophobicContact CD1-CD1 4.05Å; L272-L275 HydrophobicContact CD1-CD1 4.34Å; P273-L275 PolarHBondContact O-N 3.23Å; P273-L275 VanDerWaalsContact O-N 3.16Å
276K82.6Confident81Confident197 Ų19791.7 Ų91.786%0.85748%0.475SS*.  trans-110.1113.7174.4-72.6-178.4179.9177.70109.1
277C72.4Confident79.8Confident86 Ų8693.8 Ų93.858%0.58149%0.487SS*.  trans-107.7125.6166.2-1660000108.4M91M91-C277 HydrophobicContact CE-CB 4.36Å; M91-C277 HydrophobicContact SD-CB 4.38Å
278P71.3Confident78.3Confident114 Ų11499.4 Ų99.474%0.7450%0.503SS*.PPolyproline II helixtrans-57146.3169.1-18.330.6000109.7S280P278-S280 PolarHBondContact O-N 3.13Å
279K69.7Low76.5Confident193 Ų193100.4 Ų100.484%0.83951%0.506SS*.PPolyproline II helixtrans-64.9125.1170.4-70.5-174.6177.5-177.70108.2
280S69.3Low75.1Confident97 Ų9796.9 Ų96.968%0.67851%0.505SS*.PPolyproline II helixtrans-82.6127.7164.5-175.20000107.6P278P278-S280 PolarHBondContact O-N 3.13Å
281G67.8Low73.5Confident68 Ų6899.6 Ų99.670%0.70152%0.52SS*.PPolyproline II helixtrans-80.7160.5173.400000110.9
282Y68.9Low71.7Confident136 Ų136101.9 Ų101.953%0.53353%0.532SS..PPolyproline II helixtrans-79.6136.3163.7177.6-107.5000109A59 Q284A59-Y282 HydrophobicContact CB-CD1 3.75Å; A59-Y282 HydrophobicContact CB-CD2 3.61Å; A59-Y282 HydrophobicContact CB-CE1 3.25Å; A59-Y282 HydrophobicContact CB-CE2 3.13Å; A59-Y282 HydrophobicContact CB-CG 3.91Å; A59-Y282 WeakPolarHBondContact CB-OH 3.4Å; Y282-Q284 HydrophobicContact CD1-CB 4.08Å; Y282-Q284 HydrophobicContact CE1-CB 3.71Å; Y282-Q284 HydrophobicContact CE1-CG 4.19Å
283L67Low69.6Low60 Ų60109.9 Ų109.931%0.31457%0.569SS.*  trans-96.7110.4171.4177.461.3000108.8W285 W288L283-W285 HydrophobicContact CD2-CD2 3.96Å; L283-W285 HydrophobicContact CD2-CE3 4.01Å; L283-W285 HydrophobicContact CD2-CH2 3.63Å; L283-W285 HydrophobicContact CD2-CZ2 3.57Å; L283-W285 HydrophobicContact CD2-CZ3 3.85Å; L283-W285 HydrophobicContact CG-CD2 4.29Å; L283-W285 PolarHBondContact O-N 3.17Å; L283-W288 HydrophobicContact CD1-CD2 3.86Å; L283-W288 HydrophobicContact CD1-CE3 3.39Å; L283-W288 HydrophobicContact CD1-CH2 3.95Å; L283-W288 HydrophobicContact CD1-CZ2 4.39Å; L283-W288 HydrophobicContact CD1-CZ3 3.43Å; L283-W288 VanDerWaalsContact CD1-CZ3 3.43Å; L283-W288 HydrophobicContact CD2-CE3 4.03Å; L283-W288 HydrophobicContact CD2-CZ3 3.81Å; L283-W288 HydrophobicContact CG-CE3 4.28Å; L283-W288 HydrophobicContact CG-CZ3 4.28Å
284Q68Low67.6Low52 Ų52114.2 Ų114.224%0.24359%0.585CS.*  trans-87.7100174.5-170.6161.7-14.300108.9Y282 D286 E287Y282-Q284 HydrophobicContact CD1-CB 4.08Å; Y282-Q284 HydrophobicContact CE1-CB 3.71Å; Y282-Q284 HydrophobicContact CE1-CG 4.19Å; Q284-D286 VanDerWaalsContact C-N 3.28Å; Q284-D286 WeakPolarHBondContact CG-OD1 3.46Å; Q284-D286 PolarHBondContact NE2-OD2 2.92Å; Q284-D286 PolarHBondContact O-N 3.32Å; Q284-E287 HydrophobicContact CB-CG 4.07Å; Q284-E287 HydrophobicContact CG-CG 3.92Å; Q284-E287 WeakPolarHBondContact O-CB 2.87Å; Q284-E287 PolarHBondContact O-N 3.42Å; Q284-E287 VanDerWaalsContact O-N 3.07Å
285W66.8Low65.5Low154 Ų154110.8 Ų110.858%0.58357%0.571SS**G310 helixtrans-62.5-33.3-170.9-71102.1000113.5L283 E287 W288 D289 I292L283-W285 HydrophobicContact CD2-CD2 3.96Å; L283-W285 HydrophobicContact CD2-CE3 4.01Å; L283-W285 HydrophobicContact CD2-CH2 3.63Å; L283-W285 HydrophobicContact CD2-CZ2 3.57Å; L283-W285 HydrophobicContact CD2-CZ3 3.85Å; L283-W285 HydrophobicContact CG-CD2 4.29Å; L283-W285 PolarHBondContact O-N 3.17Å; W285-E287 PolarHBondContact O-N 3.34Å; W285-W288 PolarHBondContact O-N 3.16Å; W285-D289 PolarHBondContact O-N 2.86Å; W285-I292 HydrophobicContact CB-CD1 3.58Å; W285-I292 HydrophobicContact CG-CD1 4.48Å
286D64.5Low62.8Low66 Ų66118.7 Ų118.735%0.35361%0.607SS.*G310 helixtrans-65.2-19175.349.2-53.5000113.5Q284 W288Q284-D286 VanDerWaalsContact C-N 3.28Å; Q284-D286 WeakPolarHBondContact CG-OD1 3.46Å; Q284-D286 PolarHBondContact NE2-OD2 2.92Å; Q284-D286 PolarHBondContact O-N 3.32Å; D286-W288 VanDerWaalsContact C-N 3.32Å
287E66.7Low61.1Low143 Ų143114.5 Ų114.567%0.66859%0.59SS**G310 helixtrans-82.3-12.3171.1-65.5-177.6165.500112.9Q284 W285Q284-E287 HydrophobicContact CB-CG 4.07Å; Q284-E287 HydrophobicContact CG-CG 3.92Å; Q284-E287 WeakPolarHBondContact O-CB 2.87Å; Q284-E287 PolarHBondContact O-N 3.42Å; Q284-E287 VanDerWaalsContact O-N 3.07Å; W285-E287 PolarHBondContact O-N 3.34Å
288W61.7Low59.1Low196 Ų196117.9 Ų117.974%0.74260%0.598SS**THydrogen-bonded Turntrans-115.3-21.2-176.5-98.47.2000114.6L283 W285 D286L283-W288 HydrophobicContact CD1-CD2 3.86Å; L283-W288 HydrophobicContact CD1-CE3 3.39Å; L283-W288 HydrophobicContact CD1-CH2 3.95Å; L283-W288 HydrophobicContact CD1-CZ2 4.39Å; L283-W288 HydrophobicContact CD1-CZ3 3.43Å; L283-W288 VanDerWaalsContact CD1-CZ3 3.43Å; L283-W288 HydrophobicContact CD2-CE3 4.03Å; L283-W288 HydrophobicContact CD2-CZ3 3.81Å; L283-W288 HydrophobicContact CG-CE3 4.28Å; L283-W288 HydrophobicContact CG-CZ3 4.28Å; W285-W288 PolarHBondContact O-N 3.16Å; D286-W288 VanDerWaalsContact C-N 3.32Å
289D57.2Low57.2Low66 Ų66121.4 Ų121.435%0.35360%0.604SS.*  trans-140.597.3-178-169.2-9000111W285 T291 I292W285-D289 PolarHBondContact O-N 2.86Å; D289-T291 PolarHBondContact O-N 3.01Å; D289-T291 VanDerWaalsContact OD1-CB 3.25Å; D289-T291 WeakPolarHBondContact OD1-CB 3.47Å; D289-T291 WeakPolarHBondContact OD1-CG2 3.49Å; D289-T291 PolarHBondContact OD1-N 3.32Å; D289-T291 PolarHBondContact OD1-OG1 3.07Å; D289-T291 PolarHBondContact OD2-OG1 3.17Å; D289-I292 HydrophobicContact CB-CD1 3.89Å; D289-I292 HydrophobicContact CB-CG1 3.99Å; D289-I292 WeakPolarHBondContact O-CB 3.41Å; D289-I292 PolarHBondContact O-N 3.39Å
290D63.7Low55.6Low152 Ų152125 Ų12581%0.81361%0.614SS**THydrogen-bonded Turntrans-58.6-13.8176.3-46.8-4.8000112.7I292D290-I292 VanDerWaalsContact C-N 3.32Å
291T60.2Low55Low109 Ų109126.4 Ų126.467%0.66961%0.611SS**THydrogen-bonded Turntrans-82.1-10.8176.974.70000113.4D289 Q293D289-T291 PolarHBondContact O-N 3.01Å; D289-T291 VanDerWaalsContact OD1-CB 3.25Å; D289-T291 WeakPolarHBondContact OD1-CB 3.47Å; D289-T291 WeakPolarHBondContact OD1-CG2 3.49Å; D289-T291 PolarHBondContact OD1-N 3.32Å; D289-T291 PolarHBondContact OD1-OG1 3.07Å; D289-T291 PolarHBondContact OD2-OG1 3.17Å; T291-Q293 PolarHBondContact O-N 3.23Å
292I56.6Low54.3Low65 Ų65129.4 Ų129.433%0.33361%0.606SS.*  trans-76.576.4172.5-56.7176.3000108.2W285 D289 D290 H294W285-I292 HydrophobicContact CB-CD1 3.58Å; W285-I292 HydrophobicContact CG-CD1 4.48Å; D289-I292 HydrophobicContact CB-CD1 3.89Å; D289-I292 HydrophobicContact CB-CG1 3.99Å; D289-I292 WeakPolarHBondContact O-CB 3.41Å; D289-I292 PolarHBondContact O-N 3.39Å; D290-I292 VanDerWaalsContact C-N 3.32Å; I292-H294 PolarHBondContact O-N 3.19Å
293Q49.7Very low53.5Low171 Ų171129.1 Ų129.180%0.79961%0.611SS**  trans-71.3109.1170.7-68.8-170.8-22.500109T291 G295T291-Q293 PolarHBondContact O-N 3.23Å; Q293-G295 PolarHBondContact O-N 2.83Å; Q293-G295 VanDerWaalsContact O-N 3.16Å
294H52.3Low52.7Low135 Ų135133.1 Ų133.163%0.62563%0.628SS**  trans-66.2109.4158.3-67.9-49.6000106.9I292 E296I292-H294 PolarHBondContact O-N 3.19Å; H294-E296 PolarHBondContact O-N 3.27Å
295G47.6Very low51.7Low42 Ų42138.2 Ų138.243%0.43365%0.652SS.*  trans-42.7124.5-170.800000113Q293 E297Q293-G295 PolarHBondContact O-N 2.83Å; Q293-G295 VanDerWaalsContact O-N 3.16Å; G295-E297 PolarHBondContact O-N 3.01Å
296E35.9Very low50.7Low190 Ų190137.1 Ų137.189%0.88866%0.657SS**  trans-58125.7174.4-68.2-177.2158.800109.1H294 E298H294-E296 PolarHBondContact O-N 3.27Å; E296-E298 PolarHBondContact O-N 2.57Å
297E45Very low49.7Very low109 Ų109142.2 Ų142.251%0.50968%0.678SS.*  trans-75.1117.7176.2-67.5-170.8127.200109.8K54 G295 E299K54-E297 WeakPolarHBondContact CD-OE1 3.46Å; K54-E297 WeakPolarHBondContact CD-OE2 3.21Å; K54-E297 VanDerWaalsContact CE-CD 3.5Å; K54-E297 WeakPolarHBondContact CE-OE1 3.46Å; K54-E297 VanDerWaalsContact CE-OE2 3.3Å; K54-E297 WeakPolarHBondContact CE-OE2 3.43Å; K54-E297 WeakPolarHBondContact CG-OE1 3.49Å; K54-E297 IonicContact NZ-OE1 2.97Å; K54-E297 PolarHBondContact NZ-OE1 3.49Å; K54-E297 IonicContact NZ-OE2 3.72Å; K54-E297 PolarHBondContact NZ-OE2 3.45Å; G295-E297 PolarHBondContact O-N 3.01Å; E297-E299 PolarHBondContact O-N 2.97Å
298E32Very low48.4Very low157 Ų157142.2 Ų142.273%0.73468%0.679SS**  trans-65.5108.9156-71.8-176.1148.700108.1E296 Y300E296-E298 PolarHBondContact O-N 2.57Å; E298-Y300 HydrophobicContact CB-CD2 3.83Å; E298-Y300 HydrophobicContact CB-CE2 3.84Å; E298-Y300 HydrophobicContact CG-CE2 4.35Å; E298-Y300 PolarHBondContact O-N 3.02Å; E298-Y300 VanDerWaalsContact O-N 3.17Å; E298-Y300 WeakPolarHBondContact OE2-CE2 3.25Å
299E30.9Very low47.3Very low188 Ų188137.7 Ų137.788%0.87967%0.674SS**  trans-62.5109.7164.2-78.2-172.8153.100109E297E297-E299 PolarHBondContact O-N 2.97Å
300Y36.7Very low46.4Very low268 Ų268144.2 Ų144.2100%1.05170%0.703SS**  trans-128.80164-79.3-78.7000110.2E298E298-Y300 HydrophobicContact CB-CD2 3.83Å; E298-Y300 HydrophobicContact CB-CE2 3.84Å; E298-Y300 HydrophobicContact CG-CE2 4.35Å; E298-Y300 PolarHBondContact O-N 3.02Å; E298-Y300 VanDerWaalsContact O-N 3.17Å; E298-Y300 WeakPolarHBondContact OE2-CE2 3.25Å

Retrieved 300 of 300 residues in 89 ms (Link to these results)

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