A0A077ZFH4_TRITR Loading...

Secretin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 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
1M54.3Low89.3Confident242 Ų24255.5 Ų55.5100%1.19226%0.259SS*.  01380-73.2174.7175.100108.7R3M1-R3 PolarHBondContact O-N 3.17Å
2K79.8Confident89.6Confident170 Ų17050.8 Ų50.874%0.73924%0.238SC*.  trans-80112.5173.3-69-174.3-179.1-172.30107.7K89K2-K89 HydrophobicContact CD-CD 4.35Å
3R90Very high89.7Confident70 Ų7048.6 Ų48.626%0.26423%0.231SC..  trans-58.7143.7178-60.7-174.571.6-172.62.5110.3M1 N90 I139 L140 S143M1-R3 PolarHBondContact O-N 3.17Å; R3-N90 PolarHBondContact O-N 2.89Å; R3-I139 HydrophobicContact CB-CD1 3.78Å; R3-I139 HydrophobicContact CB-CG2 4.44Å; R3-I139 VanDerWaalsContact NH1-CG2 3.26Å; R3-L140 PolarHBondContact NH1-O 2.86Å; R3-S143 VanDerWaalsContact CZ-O 3.26Å; R3-S143 PolarHBondContact NH1-O 2.81Å; R3-S143 PolarHBondContact NH2-O 3.25Å
4Q93.6Very high89.7Confident73 Ų7345.1 Ų45.134%0.34122%0.215SC..EExtended strand (participates in β ladder)trans-121.1160.7-178.7-72.5179.2-58.800110.3T88 K89 I239Q4-T88 CarbonylContact C-O 3.56Å; Q4-T88 VanDerWaalsContact CA-O 3.29Å; Q4-T88 WeakPolarHBondContact CA-O 3.47Å; Q4-T88 WeakPolarHBondContact CB-O 3.4Å; Q4-K89 HydrophobicContact CG-CG 3.91Å; Q4-I239 HydrophobicContact CB-CD1 3.66Å; Q4-I239 HydrophobicContact CB-CG1 3.46Å; Q4-I239 VanDerWaalsContact CB-CG1 3.46Å; Q4-I239 PolarHBondContact O-N 3.38Å
5V95.3Very high89.7Confident0 Ų049.6 Ų49.60%023%0.228CC..EExtended strand (participates in β ladder)trans-142.8140177.9610000109.1L7 T88 P137 I139 L146 P236 N237 I238V5-L7 HydrophobicContact CG1-CD2 4.21Å; V5-L7 HydrophobicContact CG1-CG 4.32Å; V5-L7 HydrophobicContact CG2-CD2 3.88Å; V5-T88 HydrophobicContact CG1-CG2 3.66Å; V5-T88 PolarHBondContact N-O 2.85Å; V5-T88 PolarHBondContact O-N 2.79Å; V5-P137 HydrophobicContact CG1-CB 3.79Å; V5-P137 HydrophobicContact CG1-CG 3.67Å; V5-I139 HydrophobicContact CB-CD1 4.13Å; V5-I139 HydrophobicContact CG1-CD1 4.35Å; V5-L146 HydrophobicContact CG2-CD2 4.43Å; V5-P236 HydrophobicContact CG2-CB 3.8Å; V5-N237 CarbonylContact C-O 3.51Å; V5-N237 WeakPolarHBondContact CA-O 3.27Å; V5-I238 HydrophobicContact CG2-CG1 4.38Å
6V96.6Very high89.3Confident28 Ų2847.3 Ų47.317%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-95.8113.5169-1730000108S85 A86 V87 P236 N237 I239V6-S85 WeakPolarHBondContact CG1-OG 3.49Å; V6-A86 CarbonylContact C-O 3.58Å; V6-A86 WeakPolarHBondContact CA-O 3.26Å; V6-V87 HydrophobicContact CG1-CG2 4.46Å; V6-V87 HydrophobicContact CG2-CG1 4.46Å; V6-V87 HydrophobicContact CG2-CG2 4.05Å; V6-P236 CarbonylContact O-C 3.53Å; V6-P236 WeakPolarHBondContact O-CA 3.48Å; V6-N237 HydrophobicContact CB-CB 4.49Å; V6-N237 PolarHBondContact N-O 2.92Å; V6-N237 PolarHBondContact O-N 2.78Å; V6-I239 HydrophobicContact CG2-CD1 4.42Å; V6-I239 HydrophobicContact CG2-CG2 3.98Å
7L96.2Very high88.4Confident1 Ų147.9 Ų47.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-94.1110175.7-59.2178.3000108.5V5 S85 A86 T88 V94 L135 P137 L148 P236V5-L7 HydrophobicContact CG1-CD2 4.21Å; V5-L7 HydrophobicContact CG1-CG 4.32Å; V5-L7 HydrophobicContact CG2-CD2 3.88Å; L7-S85 WeakPolarHBondContact O-CA 3.32Å; L7-A86 PolarHBondContact N-O 3.41Å; L7-A86 PolarHBondContact O-N 2.77Å; L7-T88 HydrophobicContact CD1-CG2 4.05Å; L7-T88 HydrophobicContact CG-CG2 4.41Å; L7-V94 HydrophobicContact CD1-CB 4.46Å; L7-V94 HydrophobicContact CD1-CG2 4.09Å; L7-L135 HydrophobicContact CB-CD1 4.38Å; L7-L135 HydrophobicContact CD1-CB 3.83Å; L7-L135 HydrophobicContact CD1-CD1 3.96Å; L7-P137 HydrophobicContact CD1-CG 4.37Å; L7-L148 HydrophobicContact CD1-CD1 4.44Å; L7-L148 HydrophobicContact CD2-CD1 4.28Å; L7-P236 HydrophobicContact CD2-CB 3.73Å
8N95.7Very high87Confident23 Ų2354.8 Ų54.812%0.12325%0.249CC..EExtended strand (participates in β ladder)trans-95119.6172.8-59.1-85.8000108.7T63 S85 I234 T235 N237N8-T63 HydrophobicContact CB-CG2 4.19Å; N8-S85 PolarHBondContact OD1-OG 2.75Å; N8-I234 CarbonylContact O-C 3.57Å; N8-I234 WeakPolarHBondContact O-CA 3.3Å; N8-T235 PolarHBondContact N-O 2.9Å; N8-T235 PolarHBondContact ND2-O 2.79Å; N8-T235 PolarHBondContact O-N 3.11Å; N8-N237 PolarHBondContact ND2-ND2 3.07Å
9V94.8Very high85.5Confident1 Ų160.7 Ų60.71%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-115.6131.9-179-178.50000108.8I11 R83 N84 M96 M133 L135 V232 L233 I234V9-I11 HydrophobicContact CG1-CG1 4.27Å; V9-R83 WeakPolarHBondContact O-CA 3.28Å; V9-N84 PolarHBondContact N-O 3.25Å; V9-N84 PolarHBondContact O-N 3.01Å; V9-N84 VanDerWaalsContact O-O 3.12Å; V9-M96 HydrophobicContact CB-CE 3.92Å; V9-M96 HydrophobicContact CB-SD 3.99Å; V9-M96 HydrophobicContact CG1-CE 3.85Å; V9-M96 HydrophobicContact CG1-SD 4.23Å; V9-M96 HydrophobicContact CG2-CE 4.36Å; V9-M96 HydrophobicContact CG2-SD 3.75Å; V9-M133 HydrophobicContact CB-CE 4.32Å; V9-M133 HydrophobicContact CG1-CE 3.57Å; V9-M133 HydrophobicContact CG2-CE 3.87Å; V9-L135 HydrophobicContact CG2-CD1 3.6Å; V9-V232 HydrophobicContact CG1-CG1 4.15Å; V9-L233 CarbonylContact C-O 3.52Å; V9-L233 VanDerWaalsContact CA-O 3.32Å; V9-L233 WeakPolarHBondContact CA-O 3.37Å; V9-I234 HydrophobicContact CG2-CG1 4.37Å; V9-I234 HydrophobicContact CG2-CG2 4.26Å
10E94.3Very high83.9Confident0 Ų061.8 Ų61.80%029%0.288CS..EExtended strand (participates in β ladder)trans-133.3125.9171.4177.1165.4-13500110L12 T63 G64 V80 T82 R83 L233E10-L12 HydrophobicContact CG-CD2 3.75Å; E10-L12 HydrophobicContact CG-CG 4.33Å; E10-T63 HydrophobicContact CB-CG2 3.8Å; E10-T63 VanDerWaalsContact OE2-CA 3.22Å; E10-T63 WeakPolarHBondContact OE2-CA 2.93Å; E10-G64 PolarHBondContact OE2-N 2.9Å; E10-V80 HydrophobicContact CG-CG1 4.28Å; E10-T82 WeakPolarHBondContact CA-O 3.31Å; E10-R83 IonicContact OE1-CZ 3.25Å; E10-R83 IonicContact OE1-NE 3.48Å; E10-R83 PolarHBondContact OE1-NE 3.06Å; E10-R83 IonicContact OE1-NH2 3.46Å; E10-R83 PolarHBondContact OE1-NH2 3.45Å; E10-L233 HydrophobicContact CB-CB 4.37Å; E10-L233 PolarHBondContact N-O 3Å; E10-L233 PolarHBondContact O-N 2.96Å
11I92.3Very high82.5Confident2 Ų265.1 Ų65.11%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-107.7122.2-179.7-54.5167.5000107V9 V81 T82 I98 F131 V232V9-I11 HydrophobicContact CG1-CG1 4.27Å; I11-V81 HydrophobicContact CB-CB 4.33Å; I11-V81 HydrophobicContact CG2-CB 4.13Å; I11-V81 PolarHBondContact O-N 3.37Å; I11-T82 PolarHBondContact N-O 3.44Å; I11-T82 PolarHBondContact O-N 2.86Å; I11-I98 HydrophobicContact CD1-CD1 3.93Å; I11-F131 HydrophobicContact CD1-CD1 3.59Å; I11-F131 HydrophobicContact CD1-CE1 3.28Å; I11-F131 HydrophobicContact CD1-CG 4.4Å; I11-F131 HydrophobicContact CD1-CZ 3.88Å; I11-F131 HydrophobicContact CG1-CE1 4.35Å; I11-V232 HydrophobicContact CG1-CG1 4.39Å; I11-V232 HydrophobicContact CG1-CG2 4.39Å; I11-V232 HydrophobicContact CG2-CG2 4.48Å
12L92.6Very high82.9Confident0 Ų055.9 Ų55.90%027%0.266CS..EExtended strand (participates in β ladder)trans-111.1141.3178.5-52.6178.9000108.9E10 I14 F68 L69 L72 S79 V80 L230 V231 L233E10-L12 HydrophobicContact CG-CD2 3.75Å; E10-L12 HydrophobicContact CG-CG 4.33Å; L12-I14 HydrophobicContact CB-CD1 4.25Å; L12-F68 HydrophobicContact CD1-CE1 4.38Å; L12-L69 HydrophobicContact CD1-CD1 4.14Å; L12-L69 HydrophobicContact CD2-CD1 4.32Å; L12-L72 HydrophobicContact CD1-CD1 3.65Å; L12-S79 CarbonylContact C-O 3.57Å; L12-S79 WeakPolarHBondContact CA-O 3.29Å; L12-V80 HydrophobicContact CD2-CB 4.27Å; L12-V80 HydrophobicContact CD2-CG1 4.4Å; L12-V80 HydrophobicContact CD2-CG2 3.76Å; L12-L230 CarbonylContact O-C 3.48Å; L12-L230 WeakPolarHBondContact O-CA 3.41Å; L12-V231 HydrophobicContact CB-CB 4.36Å; L12-V231 PolarHBondContact N-O 2.94Å; L12-V231 PolarHBondContact O-N 3.22Å; L12-L233 HydrophobicContact CD1-CD1 4.05Å
13S91Very high82.7Confident22 Ų2247.9 Ų47.915%0.15423%0.231CC..EExtended strand (participates in β ladder)trans-109.1128.7165.863.50000108.9V78 S79 I229S13-V78 WeakPolarHBondContact O-CA 3.29Å; S13-S79 PolarHBondContact N-O 3.31Å; S13-S79 PolarHBondContact O-N 3.49Å; S13-I229 CarbonylContact C-O 3.57Å; S13-I229 WeakPolarHBondContact CA-O 3.34Å
14I89.6Confident82.2Confident0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-112.5114175.6-56.185.1000106.9L12 I24 D77 V78 T228 I229 V231L12-I14 HydrophobicContact CB-CD1 4.25Å; I14-I24 HydrophobicContact CD1-CD1 4.07Å; I14-I24 HydrophobicContact CG1-CD1 4.4Å; I14-D77 WeakPolarHBondContact CA-O 2.98Å; I14-V78 HydrophobicContact CG1-CG2 4.11Å; I14-V78 HydrophobicContact CG2-CG2 4.49Å; I14-T228 WeakPolarHBondContact O-CA 3.12Å; I14-I229 PolarHBondContact N-O 3.48Å; I14-I229 PolarHBondContact O-N 3.41Å; I14-V231 HydrophobicContact CD1-CB 3.84Å; I14-V231 HydrophobicContact CD1-CG2 3.4Å
15R89Confident81.6Confident112 Ų11243 Ų4342%0.42321%0.213SC..EExtended strand (participates in β ladder)trans-100.3131.5-179.5-177-174.766.5-173.71.2110.3G76 D77 D226 D227R15-G76 WeakPolarHBondContact O-CA 3.26Å; R15-D77 HydrophobicContact CB-CB 4.25Å; R15-D77 IonicContact CZ-OD2 3.55Å; R15-D77 PolarHBondContact N-O 2.9Å; R15-D77 IonicContact NE-OD2 2.72Å; R15-D77 PolarHBondContact NE-OD2 2.62Å; R15-D77 IonicContact NH2-OD2 2.76Å; R15-D77 PolarHBondContact NH2-OD2 3.48Å; R15-D77 PolarHBondContact O-N 3.05Å; R15-D226 VanDerWaalsContact CD-OD1 3.26Å; R15-D226 WeakPolarHBondContact CD-OD1 3.4Å; R15-D226 VanDerWaalsContact CD-OD2 3.3Å; R15-D226 WeakPolarHBondContact CD-OD2 3.49Å; R15-D226 WeakPolarHBondContact CG-OD1 3.27Å; R15-D227 CarbonylContact C-O 3.47Å; R15-D227 WeakPolarHBondContact CA-O 3.3Å
16K83.3Confident80.8Confident13 Ų1343.2 Ų43.26%0.05721%0.214CC..EExtended strand (participates in β ladder)trans-123.1115.3179.3-57.6-176.376178.20109.4Q21 G23 Q75 D226 D227 I229K16-Q21 PolarHBondContact NZ-O 3.43Å; K16-G23 PolarHBondContact NZ-O 2.74Å; K16-Q75 VanDerWaalsContact CE-O 3.29Å; K16-Q75 WeakPolarHBondContact CE-O 3.26Å; K16-D226 WeakPolarHBondContact O-CA 3.11Å; K16-D227 PolarHBondContact N-O 2.89Å; K16-D227 PolarHBondContact O-N 2.94Å; K16-I229 HydrophobicContact CD-CD1 4.38Å
17T74.1Confident79.9Confident57 Ų5745.2 Ų45.235%0.3522%0.223SC..  trans-96.8-9.1-174.451.80000114N225T17-N225 CarbonylContact C-O 3.6Å
18R64.5Low78.9Confident172 Ų17247 Ų4765%0.64924%0.238SC*.SBendtrans-100.9161.4-177.3-71.9171.4175.41783.7109.9E20R18-E20 HydrophobicContact CB-CB 4.3Å; R18-E20 HydrophobicContact CB-CG 3.65Å; R18-E20 WeakPolarHBondContact CD-OE1 3.33Å; R18-E20 IonicContact NH1-OE1 3.41Å; R18-E20 PolarHBondContact NH1-OE1 3.01Å; R18-E20 PolarHBondContact O-N 3.06Å
19N57.6Low78.2Confident168 Ų16845.9 Ų45.990%0.89823%0.233SC*.SBendtrans-63.222.4169.1-127.921.4000113.1
20E53.1Low77.4Confident81 Ų8147.3 Ų47.338%0.37924%0.238SC..  trans-65.2146.7173.9-72.2166.9-175.500108.7R18 A22R18-E20 HydrophobicContact CB-CB 4.3Å; R18-E20 HydrophobicContact CB-CG 3.65Å; R18-E20 WeakPolarHBondContact CD-OE1 3.33Å; R18-E20 IonicContact NH1-OE1 3.41Å; R18-E20 PolarHBondContact NH1-OE1 3.01Å; R18-E20 PolarHBondContact O-N 3.06Å; E20-A22 PolarHBondContact O-N 3.4Å
21Q54.5Low76.4Confident133 Ų13351.7 Ų51.762%0.62127%0.269SS*.  trans-45.3137.5-175.7-63.1167.8-13.300112K16 G23 T50K16-Q21 PolarHBondContact NZ-O 3.43Å; Q21-G23 PolarHBondContact O-N 3.43Å; Q21-T50 HydrophobicContact CB-CG2 4Å; Q21-T50 PolarHBondContact OE1-OG1 3.25Å
22A63.3Low75.3Confident48 Ų4854 Ų5440%0.39728%0.282SS..SBendtrans-61.9122.6172.900000109.4E20 T50 T52E20-A22 PolarHBondContact O-N 3.4Å; A22-T50 WeakPolarHBondContact O-CG2 3.49Å; A22-T52 HydrophobicContact CB-CG2 4.28Å
23G74.7Confident73.8Confident1 Ų165.4 Ų65.41%0.0133%0.325CS..SBendtrans114.9-176.4178.500000114.9K16 Q21K16-G23 PolarHBondContact NZ-O 2.74Å; Q21-G23 PolarHBondContact O-N 3.43Å
24I80.3Confident72.6Confident2 Ų268.5 Ų68.51%0.0134%0.343CS..BIsolated β-bridgetrans-112129.8-179.8-63.4170.4000107.7I14 W26 V29 V51 L72 Q75 I229 V231I14-I24 HydrophobicContact CD1-CD1 4.07Å; I14-I24 HydrophobicContact CG1-CD1 4.4Å; I24-W26 HydrophobicContact CB-CD2 4.43Å; I24-W26 HydrophobicContact CB-CZ2 4.25Å; I24-W26 HydrophobicContact CD1-CH2 4.19Å; I24-W26 HydrophobicContact CD1-CZ2 3.72Å; I24-W26 HydrophobicContact CG2-CD2 3.74Å; I24-W26 HydrophobicContact CG2-CE3 4.09Å; I24-W26 HydrophobicContact CG2-CG 4.12Å; I24-W26 HydrophobicContact CG2-CH2 4.34Å; I24-W26 HydrophobicContact CG2-CZ2 4.01Å; I24-W26 HydrophobicContact CG2-CZ3 4.37Å; I24-W26 PolarHBondContact O-N 2.66Å; I24-V29 HydrophobicContact CG2-CG2 4.18Å; I24-V51 PolarHBondContact N-O 2.88Å; I24-V51 PolarHBondContact O-N 2.85Å; I24-L72 HydrophobicContact CG2-CD2 4.42Å; I24-Q75 HydrophobicContact CG2-CG 4.2Å; I24-I229 HydrophobicContact CD1-CB 4.45Å; I24-I229 HydrophobicContact CD1-CD1 4.49Å; I24-I229 HydrophobicContact CD1-CG2 3.86Å; I24-I229 HydrophobicContact CG1-CD1 3.9Å; I24-I229 HydrophobicContact CG1-CG2 4.39Å; I24-V231 HydrophobicContact CD1-CG2 3.48Å; I24-V231 VanDerWaalsContact CD1-CG2 3.48Å
25D80.2Confident71.3Confident39 Ų3969.4 Ų69.421%0.20935%0.348CS..  trans-8192.4167-177.6-16.8000108.3N27 A28 V29 Q75D25-N27 VanDerWaalsContact C-N 3.26Å; D25-N27 PolarHBondContact O-N 3.45Å; D25-N27 WeakPolarHBondContact OD1-CA 3.4Å; D25-N27 WeakPolarHBondContact OD1-CB 3.1Å; D25-N27 PolarHBondContact OD1-N 2.83Å; D25-A28 HydrophobicContact CB-CB 4.04Å; D25-A28 VanDerWaalsContact CG-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.92Å; D25-A28 PolarHBondContact OD1-N 3.03Å; D25-V29 WeakPolarHBondContact O-CG2 3.09Å; D25-V29 PolarHBondContact O-N 3.09Å; D25-V29 VanDerWaalsContact O-N 3.15Å; D25-Q75 VanDerWaalsContact N-OE1 3.1Å
26W80Confident69.9Low5 Ų567.7 Ų67.72%0.01936%0.364CS..Hα-helixtrans-67.9-29.1179.7-70.5103.3000112.1I24 V29 F30 F43 F68 L72 I193 V231I24-W26 HydrophobicContact CB-CD2 4.43Å; I24-W26 HydrophobicContact CB-CZ2 4.25Å; I24-W26 HydrophobicContact CD1-CH2 4.19Å; I24-W26 HydrophobicContact CD1-CZ2 3.72Å; I24-W26 HydrophobicContact CG2-CD2 3.74Å; I24-W26 HydrophobicContact CG2-CE3 4.09Å; I24-W26 HydrophobicContact CG2-CG 4.12Å; I24-W26 HydrophobicContact CG2-CH2 4.34Å; I24-W26 HydrophobicContact CG2-CZ2 4.01Å; I24-W26 HydrophobicContact CG2-CZ3 4.37Å; I24-W26 PolarHBondContact O-N 2.66Å; W26-V29 HydrophobicContact CE3-CB 4.44Å; W26-V29 HydrophobicContact CE3-CG1 4.43Å; W26-V29 PolarHBondContact O-N 2.84Å; W26-F30 HydrophobicContact CB-CD2 4.3Å; W26-F30 HydrophobicContact CB-CE2 4.32Å; W26-F30 HydrophobicContact CD2-CE2 4.34Å; W26-F30 HydrophobicContact CE3-CD2 4.36Å; W26-F30 AromaticContact CE3-CE2 3.54Å; W26-F30 HydrophobicContact CE3-CE2 3.54Å; W26-F30 HydrophobicContact CE3-CZ 4.08Å; W26-F30 HydrophobicContact CZ3-CE2 4.25Å; W26-F30 HydrophobicContact CZ3-CZ 4.35Å; W26-F30 WeakPolarHBondContact O-CD2 3.48Å; W26-F30 PolarHBondContact O-N 3.23Å; W26-F43 HydrophobicContact CB-CD2 4.36Å; W26-F43 HydrophobicContact CB-CE1 4.01Å; W26-F43 HydrophobicContact CB-CE2 3.69Å; W26-F43 HydrophobicContact CB-CZ 3.51Å; W26-F43 AromaticContact CD1-CE2 3.81Å; W26-F43 AromaticContact CD1-CZ 3.37Å; W26-F43 HydrophobicContact CD2-CE2 4.37Å; W26-F43 HydrophobicContact CG-CE1 4.46Å; W26-F43 AromaticContact CG-CE2 3.65Å; W26-F43 HydrophobicContact CG-CE2 3.65Å; W26-F43 AromaticContact CG-CZ 3.54Å; W26-F43 HydrophobicContact CG-CZ 3.54Å; W26-F68 HydrophobicContact CZ3-CE2 4.32Å; W26-F68 AromaticContact CZ3-CZ 3.92Å; W26-F68 HydrophobicContact CZ3-CZ 3.92Å; W26-L72 HydrophobicContact CH2-CD2 4.16Å; W26-L72 HydrophobicContact CZ3-CD2 3.89Å; W26-I193 HydrophobicContact CH2-CG2 3.62Å; W26-I193 HydrophobicContact CZ2-CG2 4.14Å; W26-I193 HydrophobicContact CZ3-CG2 4.06Å; W26-V231 HydrophobicContact CH2-CG1 3.87Å; W26-V231 HydrophobicContact CH2-CG2 3.87Å; W26-V231 HydrophobicContact CZ2-CG1 4.45Å; W26-V231 HydrophobicContact CZ2-CG2 3.9Å
27N76.2Confident68.8Low69 Ų6970 Ų7037%0.36938%0.377SS..Hα-helixtrans-65.2-43.7177-71.2-28.9000110.1D25 F30 S31 D49D25-N27 VanDerWaalsContact C-N 3.26Å; D25-N27 PolarHBondContact O-N 3.45Å; D25-N27 WeakPolarHBondContact OD1-CA 3.4Å; D25-N27 WeakPolarHBondContact OD1-CB 3.1Å; D25-N27 PolarHBondContact OD1-N 2.83Å; N27-F30 PolarHBondContact O-N 2.89Å; N27-S31 WeakPolarHBondContact O-CB 3.42Å; N27-S31 PolarHBondContact O-N 2.81Å; N27-S31 PolarHBondContact O-OG 2.92Å; N27-D49 PolarHBondContact ND2-OD1 2.79Å
28A76.5Confident67.9Low39 Ų3971.4 Ų71.432%0.32239%0.389SS..Hα-helixtrans-62.9-43.317400000112.3D25 F30 S31 D32D25-A28 HydrophobicContact CB-CB 4.04Å; D25-A28 VanDerWaalsContact CG-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.92Å; D25-A28 PolarHBondContact OD1-N 3.03Å; A28-F30 PolarHBondContact O-N 3.4Å; A28-S31 PolarHBondContact O-N 3.45Å; A28-D32 PolarHBondContact O-N 3.34Å
29V80.8Confident67.4Low0 Ų066.6 Ų66.60%038%0.376CS..Hα-helixtrans-59.2-48.6177173.70000110.8I24 D25 W26 D32 L35 F68 A71 L72 Q75I24-V29 HydrophobicContact CG2-CG2 4.18Å; D25-V29 WeakPolarHBondContact O-CG2 3.09Å; D25-V29 PolarHBondContact O-N 3.09Å; D25-V29 VanDerWaalsContact O-N 3.15Å; W26-V29 HydrophobicContact CE3-CB 4.44Å; W26-V29 HydrophobicContact CE3-CG1 4.43Å; W26-V29 PolarHBondContact O-N 2.84Å; V29-D32 WeakPolarHBondContact O-CB 3.21Å; V29-D32 PolarHBondContact O-N 3.45Å; V29-L35 WeakPolarHBondContact O-CD1 3.4Å; V29-F68 HydrophobicContact CG1-CD2 4.23Å; V29-F68 HydrophobicContact CG1-CE2 3.79Å; V29-A71 HydrophobicContact CG1-CB 4.03Å; V29-L72 HydrophobicContact CG1-CD2 4.09Å; V29-L72 HydrophobicContact CG1-CG 4.22Å; V29-L72 HydrophobicContact CG2-CD2 3.92Å; V29-Q75 HydrophobicContact CG2-CG 3.44Å; V29-Q75 VanDerWaalsContact CG2-CG 3.44Å
30F78.4Confident67.1Low30 Ų3059 Ų5913%0.13234%0.338CS..Hα-helixtrans-81.5-20-176.2-70.8-61.5000114.8W26 N27 A28 D32 L35 L39 V58 F68 I193W26-F30 HydrophobicContact CB-CD2 4.3Å; W26-F30 HydrophobicContact CB-CE2 4.32Å; W26-F30 HydrophobicContact CD2-CE2 4.34Å; W26-F30 HydrophobicContact CE3-CD2 4.36Å; W26-F30 AromaticContact CE3-CE2 3.54Å; W26-F30 HydrophobicContact CE3-CE2 3.54Å; W26-F30 HydrophobicContact CE3-CZ 4.08Å; W26-F30 HydrophobicContact CZ3-CE2 4.25Å; W26-F30 HydrophobicContact CZ3-CZ 4.35Å; W26-F30 WeakPolarHBondContact O-CD2 3.48Å; W26-F30 PolarHBondContact O-N 3.23Å; N27-F30 PolarHBondContact O-N 2.89Å; A28-F30 PolarHBondContact O-N 3.4Å; F30-D32 PolarHBondContact O-N 2.86Å; F30-L35 HydrophobicContact CD1-CD1 3.84Å; F30-L35 HydrophobicContact CE1-CD1 4.47Å; F30-L39 HydrophobicContact CB-CD1 3.83Å; F30-L39 HydrophobicContact CD1-CD1 3.38Å; F30-L39 HydrophobicContact CD2-CD1 4.02Å; F30-L39 HydrophobicContact CE1-CD1 3.96Å; F30-L39 HydrophobicContact CG-CD1 3.45Å; F30-L39 VanDerWaalsContact CG-CD1 3.45Å; F30-V58 HydrophobicContact CE1-CG2 4.13Å; F30-V58 HydrophobicContact CZ-CG2 4.17Å; F30-F68 HydrophobicContact CE1-CD2 4.33Å; F30-F68 AromaticContact CE1-CE2 3.79Å; F30-F68 HydrophobicContact CE1-CE2 3.79Å; F30-F68 AromaticContact CZ-CE2 3.81Å; F30-F68 HydrophobicContact CZ-CE2 3.81Å; F30-F68 HydrophobicContact CZ-CZ 4.46Å; F30-I193 HydrophobicContact CE1-CD1 4.27Å; F30-I193 HydrophobicContact CE2-CD1 4.28Å; F30-I193 HydrophobicContact CZ-CD1 3.43Å; F30-I193 VanDerWaalsContact CZ-CD1 3.43Å
31S72.9Confident66.8Low92 Ų9258.8 Ų58.864%0.64335%0.345SS*.Hα-helixtrans-74.4-11.4171.9-62.20000112.5N27 A28 R33N27-S31 WeakPolarHBondContact O-CB 3.42Å; N27-S31 PolarHBondContact O-N 2.81Å; N27-S31 PolarHBondContact O-OG 2.92Å; A28-S31 PolarHBondContact O-N 3.45Å; S31-R33 PolarHBondContact O-N 2.78Å
32D68.1Low66.3Low52 Ų5257.4 Ų57.428%0.27835%0.346SS..  trans-61.7111.3173.6-168.3-32.9000110.2A28 V29 F30 T34 L35 A71A28-D32 PolarHBondContact O-N 3.34Å; V29-D32 WeakPolarHBondContact O-CB 3.21Å; V29-D32 PolarHBondContact O-N 3.45Å; F30-D32 PolarHBondContact O-N 2.86Å; D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact OD1-CB 3.26Å; D32-T34 WeakPolarHBondContact OD1-CB 3.26Å; D32-T34 VanDerWaalsContact OD1-CG2 3.29Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.22Å; D32-T34 PolarHBondContact OD1-N 3.49Å; D32-T34 PolarHBondContact OD1-OG1 2.75Å; D32-T34 PolarHBondContact OD2-OG1 3.3Å; D32-L35 HydrophobicContact CB-CG 4.44Å; D32-L35 WeakPolarHBondContact O-CB 3.46Å; D32-L35 PolarHBondContact O-N 2.98Å; D32-A71 HydrophobicContact CB-CB 3.95Å
33R62.5Low65.5Low238 Ų23856.5 Ų56.590%0.89833%0.333SS*.G310 helixtrans-59.1-19.7-177.5-57.4-175.181.2-170.85.8112.6S31 L35S31-R33 PolarHBondContact O-N 2.78Å; R33-L35 PolarHBondContact O-N 2.78Å
34T65Low64.1Low88 Ų8861.6 Ų61.654%0.5436%0.364SS..G310 helixtrans-70.2-18.7178.564.80000113.5D32 G36D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact OD1-CB 3.26Å; D32-T34 WeakPolarHBondContact OD1-CB 3.26Å; D32-T34 VanDerWaalsContact OD1-CG2 3.29Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.22Å; D32-T34 PolarHBondContact OD1-N 3.49Å; D32-T34 PolarHBondContact OD1-OG1 2.75Å; D32-T34 PolarHBondContact OD2-OG1 3.3Å; T34-G36 VanDerWaalsContact C-N 3.35Å
35L63.1Low62.5Low19 Ų1963.4 Ų63.410%0.09938%0.377CS..G310 helixtrans-69.3-34.6178.3-66179000112.1V29 F30 D32 R33 L37 A67 F68 A71V29-L35 WeakPolarHBondContact O-CD1 3.4Å; F30-L35 HydrophobicContact CD1-CD1 3.84Å; F30-L35 HydrophobicContact CE1-CD1 4.47Å; D32-L35 HydrophobicContact CB-CG 4.44Å; D32-L35 WeakPolarHBondContact O-CB 3.46Å; D32-L35 PolarHBondContact O-N 2.98Å; R33-L35 PolarHBondContact O-N 2.78Å; L35-L37 HydrophobicContact CB-CB 4.4Å; L35-L37 HydrophobicContact CB-CD1 3.98Å; L35-L37 HydrophobicContact CB-CG 4.01Å; L35-L37 HydrophobicContact CD1-CD1 4.45Å; L35-L37 WeakPolarHBondContact O-CG 3.46Å; L35-L37 PolarHBondContact O-N 3.02Å; L35-L37 VanDerWaalsContact O-N 3.09Å; L35-A67 HydrophobicContact CD2-CB 4.12Å; L35-F68 VanDerWaalsContact CD2-CA 3.47Å; L35-F68 HydrophobicContact CD2-CB 4.01Å; L35-F68 HydrophobicContact CD2-CD2 4.18Å; L35-A71 HydrophobicContact CD1-CB 4.35Å; L35-A71 HydrophobicContact CD2-CB 4.07Å; L35-A71 HydrophobicContact CG-CB 4.31Å
36G58.6Low60.5Low75 Ų7566.5 Ų66.577%0.77341%0.408SS*.  trans58.918.5-176.600000113.9T34T34-G36 VanDerWaalsContact C-N 3.35Å
37L60.7Low58.5Low63 Ų6371.1 Ų71.133%0.3345%0.447SS..  trans-90.7135.6-175-62.9169.6000110.3L35 V58 L62L35-L37 HydrophobicContact CB-CB 4.4Å; L35-L37 HydrophobicContact CB-CD1 3.98Å; L35-L37 HydrophobicContact CB-CG 4.01Å; L35-L37 HydrophobicContact CD1-CD1 4.45Å; L35-L37 WeakPolarHBondContact O-CG 3.46Å; L35-L37 PolarHBondContact O-N 3.02Å; L35-L37 VanDerWaalsContact O-N 3.09Å; L37-V58 HydrophobicContact CD1-CG1 4.07Å; L37-L62 HydrophobicContact CD1-CD2 3.39Å
38S55.3Low56.9Low86 Ų8671 Ų7160%0.60145%0.451SS*.  trans-77.5119.6154.455.20000107.1G40S38-G40 PolarHBondContact O-N 2.78Å
39L53.5Low55.6Low71 Ų7173.8 Ų73.837%0.37246%0.461SS..  trans-66.493172.1-137.673.1000107.3F30 S41 F43 V58F30-L39 HydrophobicContact CB-CD1 3.83Å; F30-L39 HydrophobicContact CD1-CD1 3.38Å; F30-L39 HydrophobicContact CD2-CD1 4.02Å; F30-L39 HydrophobicContact CE1-CD1 3.96Å; F30-L39 HydrophobicContact CG-CD1 3.45Å; F30-L39 VanDerWaalsContact CG-CD1 3.45Å; L39-S41 PolarHBondContact O-N 3.42Å; L39-S41 VanDerWaalsContact O-N 3.17Å; L39-F43 HydrophobicContact CD2-CB 4.36Å; L39-V58 HydrophobicContact CD1-CG2 4.26Å
40G52.2Low54.3Low9 Ų975 Ų759%0.09347%0.469CS..  trans-66.8111.417600000108.1S38 N59S38-G40 PolarHBondContact O-N 2.78Å; G40-N59 VanDerWaalsContact CA-ND2 3.26Å; G40-N59 WeakPolarHBondContact CA-ND2 3.35Å
41S46.9Very low53.2Low75 Ų7574.3 Ų74.352%0.52447%0.467SS..SBendtrans64.2141.8-177.855.10000115.3L39 F43L39-S41 PolarHBondContact O-N 3.42Å; L39-S41 VanDerWaalsContact O-N 3.17Å; S41-F43 PolarHBondContact O-N 2.94Å
42T43.6Very low52.5Low105 Ų10573.5 Ų73.564%0.64446%0.458SS*.  trans-32.7125178.7-38.10000112.1T44T42-T44 HydrophobicContact CG2-CG2 3.78Å; T42-T44 PolarHBondContact O-N 2.81Å
43F46.2Very low52.4Low28 Ų2872.8 Ų72.812%0.12346%0.463CS..  trans-61.885.8150.2-174.7-110000105.6W26 L39 S41 S45 V51W26-F43 HydrophobicContact CB-CD2 4.36Å; W26-F43 HydrophobicContact CB-CE1 4.01Å; W26-F43 HydrophobicContact CB-CE2 3.69Å; W26-F43 HydrophobicContact CB-CZ 3.51Å; W26-F43 AromaticContact CD1-CE2 3.81Å; W26-F43 AromaticContact CD1-CZ 3.37Å; W26-F43 HydrophobicContact CD2-CE2 4.37Å; W26-F43 HydrophobicContact CG-CE1 4.46Å; W26-F43 AromaticContact CG-CE2 3.65Å; W26-F43 HydrophobicContact CG-CE2 3.65Å; W26-F43 AromaticContact CG-CZ 3.54Å; W26-F43 HydrophobicContact CG-CZ 3.54Å; L39-F43 HydrophobicContact CD2-CB 4.36Å; S41-F43 PolarHBondContact O-N 2.94Å; F43-S45 VanDerWaalsContact CD1-OG 3.22Å; F43-S45 WeakPolarHBondContact CD1-OG 3.39Å; F43-S45 VanDerWaalsContact CE1-OG 3.26Å; F43-S45 WeakPolarHBondContact CE1-OG 3.42Å; F43-S45 PolarHBondContact O-N 3.46Å; F43-V51 HydrophobicContact CE1-CG2 3.91Å; F43-V51 HydrophobicContact CZ-CB 4.38Å; F43-V51 HydrophobicContact CZ-CG2 3.97Å
44T45.3Very low53Low108 Ų10862.4 Ų62.466%0.66343%0.43SS*.  trans-72.670.9170.937.10000107.2T42T42-T44 HydrophobicContact CG2-CG2 3.78Å; T42-T44 PolarHBondContact O-N 2.81Å
45S46.1Very low53.5Low41 Ų4159.6 Ų59.629%0.28741%0.413SS..  trans-75.8131.1157.748.30000107.8F43 A47F43-S45 VanDerWaalsContact CD1-OG 3.22Å; F43-S45 WeakPolarHBondContact CD1-OG 3.39Å; F43-S45 VanDerWaalsContact CE1-OG 3.26Å; F43-S45 WeakPolarHBondContact CE1-OG 3.42Å; F43-S45 PolarHBondContact O-N 3.46Å; S45-A47 PolarHBondContact O-N 3.44Å
46A38.2Very low54.3Low103 Ų10358.9 Ų58.985%0.85141%0.409SS*.SBendtrans-65.888.3155.400000107.9
47A38.6Very low55.4Low102 Ų10257 Ų5784%0.84338%0.381SS*.SBendtrans69.233.4144.500000122S45S45-A47 PolarHBondContact O-N 3.44Å
48S42.8Very low56.4Low66 Ų6654 Ų5446%0.46237%0.365SS..  trans-158.9138.7167.4168.20000112.3T50 V51S48-T50 WeakPolarHBondContact CB-O 3.33Å; S48-T50 PolarHBondContact O-N 3.45Å; S48-T50 PolarHBondContact OG-N 2.61Å; S48-T50 PolarHBondContact OG-O 3.46Å; S48-V51 WeakPolarHBondContact O-CG2 3.34Å
49D49.9Very low57.7Low98 Ų9853 Ų5352%0.52435%0.353SS..SBendtrans-57.7-30.4177.5-136.19.7000111.6N27N27-D49 PolarHBondContact ND2-OD1 2.79Å
50T52.1Low58.8Low27 Ų2751.2 Ų51.217%0.16635%0.352CS..SBendtrans-104.8115170.9-33.50000109.4Q21 A22 S48Q21-T50 HydrophobicContact CB-CG2 4Å; Q21-T50 PolarHBondContact OE1-OG1 3.25Å; A22-T50 WeakPolarHBondContact O-CG2 3.49Å; S48-T50 WeakPolarHBondContact CB-O 3.33Å; S48-T50 PolarHBondContact O-N 3.45Å; S48-T50 PolarHBondContact OG-N 2.61Å; S48-T50 PolarHBondContact OG-O 3.46Å
51V56.4Low60Low14 Ų1456.3 Ų56.39%0.08537%0.372CS..BIsolated β-bridgetrans-110.9123.5179179.70000109I24 F43 S48 G53I24-V51 PolarHBondContact N-O 2.88Å; I24-V51 PolarHBondContact O-N 2.85Å; F43-V51 HydrophobicContact CE1-CG2 3.91Å; F43-V51 HydrophobicContact CZ-CB 4.38Å; F43-V51 HydrophobicContact CZ-CG2 3.97Å; S48-V51 WeakPolarHBondContact O-CG2 3.34Å; V51-G53 WeakPolarHBondContact CG1-O 3.37Å
52T56.8Low61.7Low76 Ų7652.8 Ų52.847%0.46635%0.347SS..SBendtrans-82.4-26.9173.853.20000112A22 G196A22-T52 HydrophobicContact CB-CG2 4.28Å; T52-G196 WeakPolarHBondContact O-CA 3.36Å
53G67.7Low63.5Low36 Ų3648.2 Ų48.237%0.37132%0.319SS..SBendtrans-153140.4174.600000113.5V51 S195V51-G53 WeakPolarHBondContact CG1-O 3.37Å; G53-S195 CarbonylContact C-O 3.54Å; G53-S195 WeakPolarHBondContact CA-O 3.47Å
54G74.4Confident65.2Low21 Ų2148.6 Ų48.622%0.21633%0.331CS..EExtended strand (participates in β ladder)trans179.9165.1-175.600000112.3S195G54-S195 PolarHBondContact N-O 3.18Å; G54-S195 PolarHBondContact N-OG 3.15Å; G54-S195 PolarHBondContact O-N 3.19Å; G54-S195 PolarHBondContact O-OG 3.28Å
55V75.9Confident67.1Low28 Ų2845 Ų4517%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-121.9128.6179.1-175.60000108.2Y150 Q182 V184 V192 I193 I194V55-Y150 WeakPolarHBondContact CG2-OH 3.29Å; V55-Q182 VanDerWaalsContact CG2-NE2 3.32Å; V55-V184 HydrophobicContact CG1-CG1 3.85Å; V55-V192 HydrophobicContact CG1-CG2 3.49Å; V55-V192 VanDerWaalsContact CG1-CG2 3.49Å; V55-I193 CarbonylContact C-O 3.48Å; V55-I193 VanDerWaalsContact CA-O 3.29Å; V55-I193 WeakPolarHBondContact CA-O 3.42Å; V55-I194 HydrophobicContact CG1-CG1 4.39Å
56S79.4Confident69.1Low5 Ų551.9 Ų51.94%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-131.1146.9176.2-169.90000110.2V192 I193S56-V192 CarbonylContact O-C 3.54Å; S56-V192 WeakPolarHBondContact O-CA 3.39Å; S56-I193 PolarHBondContact N-O 2.81Å; S56-I193 PolarHBondContact O-N 3.3Å
57I81.5Confident71.3Confident34 Ų3448.4 Ų48.417%0.17431%0.306CS..EExtended strand (participates in β ladder)trans-113.5133.7175.2-57.8174.5000107.4D185 L186 Q190 T191 V192I57-D185 WeakPolarHBondContact CD1-O 3.49Å; I57-L186 HydrophobicContact CB-CD2 4.29Å; I57-L186 HydrophobicContact CD1-CD2 3.78Å; I57-L186 HydrophobicContact CG1-CD2 3.8Å; I57-L186 HydrophobicContact CG2-CD2 3.58Å; I57-Q190 HydrophobicContact CG2-CB 4.05Å; I57-Q190 HydrophobicContact CG2-CG 4.4Å; I57-T191 WeakPolarHBondContact CA-O 3.27Å; I57-V192 HydrophobicContact CG1-CG2 4.39Å
58V82.5Confident73.6Confident0 Ų043.6 Ų43.60%027%0.266CS..EExtended strand (participates in β ladder)trans-126.6139.3179-178.90000109.4F30 L37 L39 G60 L62 Q190 T191 I193F30-V58 HydrophobicContact CE1-CG2 4.13Å; F30-V58 HydrophobicContact CZ-CG2 4.17Å; L37-V58 HydrophobicContact CD1-CG1 4.07Å; L39-V58 HydrophobicContact CD1-CG2 4.26Å; V58-G60 PolarHBondContact O-N 3.32Å; V58-L62 HydrophobicContact CB-CD1 3.91Å; V58-L62 HydrophobicContact CB-CG 4.5Å; V58-L62 HydrophobicContact CG1-CD1 4.16Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 HydrophobicContact CG2-CD1 4Å; V58-Q190 WeakPolarHBondContact O-CA 3.11Å; V58-T191 PolarHBondContact N-O 3.33Å; V58-T191 PolarHBondContact O-N 3.45Å; V58-I193 HydrophobicContact CG2-CD1 3.82Å
59N80.9Confident75.8Confident66 Ų6642.5 Ų42.535%0.35326%0.255SS..SBendtrans-71.1125.2172.8-75-28.8000110.1G40 Q190G40-N59 VanDerWaalsContact CA-ND2 3.26Å; G40-N59 WeakPolarHBondContact CA-ND2 3.35Å; N59-Q190 PolarHBondContact OD1-NE2 2.98Å
60G77.8Confident77.5Confident33 Ų3344.6 Ų44.634%0.3426%0.259SS..SBendtrans97.1171.5-179.900000113.6V58 L62 G189 T191V58-G60 PolarHBondContact O-N 3.32Å; G60-L62 PolarHBondContact O-N 3.34Å; G60-G189 CarbonylContact C-O 3.54Å; G60-G189 WeakPolarHBondContact CA-O 3.2Å; G60-G189 PolarHBondContact N-O 2.89Å; G60-T191 PolarHBondContact O-N 3.31Å; G60-T191 PolarHBondContact O-OG1 2.81Å
61K77.8Confident79.1Confident117 Ų11743.3 Ų43.351%0.50925%0.251SS..  trans-87106.2-174.7-176.5176.1-179.5177.30110.7T63 T235K61-T63 VanDerWaalsContact CE-O 3.23Å; K61-T63 WeakPolarHBondContact CE-O 3.29Å; K61-T63 WeakPolarHBondContact CG-O 3.48Å; K61-T235 HydrophobicContact CB-CG2 4.3Å; K61-T235 HydrophobicContact CG-CG2 4.19Å
62L82.7Confident80.5Confident1 Ų142.6 Ų42.61%0.00525%0.247CC..  trans-82.5-26.9169.6-66.7177.3000112.2L37 V58 G60 G64 S65 F68 T191 I193 L233L37-L62 HydrophobicContact CD1-CD2 3.39Å; V58-L62 HydrophobicContact CB-CD1 3.91Å; V58-L62 HydrophobicContact CB-CG 4.5Å; V58-L62 HydrophobicContact CG1-CD1 4.16Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 HydrophobicContact CG2-CD1 4Å; G60-L62 PolarHBondContact O-N 3.34Å; L62-G64 PolarHBondContact O-N 2.75Å; L62-G64 VanDerWaalsContact O-N 3.11Å; L62-S65 WeakPolarHBondContact O-CB 3.34Å; L62-S65 PolarHBondContact O-N 2.99Å; L62-F68 HydrophobicContact CB-CD1 4.27Å; L62-F68 HydrophobicContact CD1-CD2 4.45Å; L62-F68 HydrophobicContact CD1-CE1 4.5Å; L62-F68 HydrophobicContact CD1-CE2 4.26Å; L62-F68 HydrophobicContact CD1-CZ 4.27Å; L62-F68 HydrophobicContact CD2-CB 4.11Å; L62-F68 HydrophobicContact CD2-CD2 4.02Å; L62-F68 HydrophobicContact CD2-CG 3.97Å; L62-T191 HydrophobicContact CB-CG2 3.99Å; L62-T191 HydrophobicContact CD1-CG2 4.42Å; L62-T191 HydrophobicContact CG-CG2 4.5Å; L62-T191 PolarHBondContact N-OG1 2.91Å; L62-I193 HydrophobicContact CD1-CD1 3.38Å; L62-I193 HydrophobicContact CD1-CG1 3.87Å; L62-L233 HydrophobicContact CB-CD1 4.33Å
63T80Confident82Confident9 Ų941.4 Ų41.46%0.05524%0.242CC..THydrogen-bonded Turntrans-57.7116.3177.2-590000110.7N8 E10 K61 T235N8-T63 HydrophobicContact CB-CG2 4.19Å; E10-T63 HydrophobicContact CB-CG2 3.8Å; E10-T63 VanDerWaalsContact OE2-CA 3.22Å; E10-T63 WeakPolarHBondContact OE2-CA 2.93Å; K61-T63 VanDerWaalsContact CE-O 3.23Å; K61-T63 WeakPolarHBondContact CE-O 3.29Å; K61-T63 WeakPolarHBondContact CG-O 3.48Å; T63-T235 PolarHBondContact OG1-OG1 2.82Å
64G83.2Confident82.8Confident36 Ų3643.5 Ų43.537%0.37125%0.251SS..THydrogen-bonded Turntrans82.35.4-176.200000115.4E10 L62 K66E10-G64 PolarHBondContact OE2-N 2.9Å; L62-G64 PolarHBondContact O-N 2.75Å; L62-G64 VanDerWaalsContact O-N 3.11Å; G64-K66 PolarHBondContact O-N 2.71Å
65S85.6Confident83.3Confident31 Ų3143.6 Ų43.622%0.21725%0.246CC..  trans-72.5113.3178.2176.20000111.2L62 A67 F68 L69L62-S65 WeakPolarHBondContact O-CB 3.34Å; L62-S65 PolarHBondContact O-N 2.99Å; S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.46Å; S65-F68 PolarHBondContact O-N 2.81Å; S65-F68 PolarHBondContact OG-N 3Å; S65-L69 PolarHBondContact O-N 2.76Å
66K86.4Confident83.8Confident186 Ų18643 Ų4381%0.80925%0.245SC*.Hα-helixtrans-64-34.7174.7-66.1-176.3-179.9-179.80112.2G64 F68 K70G64-K66 PolarHBondContact O-N 2.71Å; K66-F68 VanDerWaalsContact C-N 3.35Å; K66-K70 VanDerWaalsContact O-CB 3.26Å; K66-K70 WeakPolarHBondContact O-CB 3.46Å; K66-K70 PolarHBondContact O-N 2.99Å
67A85.3Confident84.3Confident31 Ų3147 Ų4726%0.25627%0.266SS..Hα-helixtrans-64.3-42.2176.200000110.8L35 S65 K70 A71L35-A67 HydrophobicContact CD2-CB 4.12Å; S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.46Å; A67-K70 PolarHBondContact O-N 2.81Å; A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 2.95Å
68F86.7Confident84.7Confident0 Ų047.2 Ų47.20%027%0.269CS..Hα-helixtrans-66.6-44.7176.5-173.9-115.3000113.2L12 W26 V29 F30 L35 L62 S65 K66 K70 A71 L72 I193 L233L12-F68 HydrophobicContact CD1-CE1 4.38Å; W26-F68 HydrophobicContact CZ3-CE2 4.32Å; W26-F68 AromaticContact CZ3-CZ 3.92Å; W26-F68 HydrophobicContact CZ3-CZ 3.92Å; V29-F68 HydrophobicContact CG1-CD2 4.23Å; V29-F68 HydrophobicContact CG1-CE2 3.79Å; F30-F68 HydrophobicContact CE1-CD2 4.33Å; F30-F68 AromaticContact CE1-CE2 3.79Å; F30-F68 HydrophobicContact CE1-CE2 3.79Å; F30-F68 AromaticContact CZ-CE2 3.81Å; F30-F68 HydrophobicContact CZ-CE2 3.81Å; F30-F68 HydrophobicContact CZ-CZ 4.46Å; L35-F68 VanDerWaalsContact CD2-CA 3.47Å; L35-F68 HydrophobicContact CD2-CB 4.01Å; L35-F68 HydrophobicContact CD2-CD2 4.18Å; L62-F68 HydrophobicContact CB-CD1 4.27Å; L62-F68 HydrophobicContact CD1-CD2 4.45Å; L62-F68 HydrophobicContact CD1-CE1 4.5Å; L62-F68 HydrophobicContact CD1-CE2 4.26Å; L62-F68 HydrophobicContact CD1-CZ 4.27Å; L62-F68 HydrophobicContact CD2-CB 4.11Å; L62-F68 HydrophobicContact CD2-CD2 4.02Å; L62-F68 HydrophobicContact CD2-CG 3.97Å; S65-F68 PolarHBondContact O-N 2.81Å; S65-F68 PolarHBondContact OG-N 3Å; K66-F68 VanDerWaalsContact C-N 3.35Å; F68-K70 VanDerWaalsContact C-N 3.25Å; F68-K70 PolarHBondContact O-N 2.76Å; F68-A71 PolarHBondContact O-N 2.78Å; F68-L72 HydrophobicContact CD1-CD1 3.82Å; F68-L72 HydrophobicContact CE1-CD1 3.35Å; F68-L72 HydrophobicContact CE1-CG 4.19Å; F68-L72 HydrophobicContact CE2-CD1 4.31Å; F68-L72 HydrophobicContact CE2-CG 4.28Å; F68-L72 HydrophobicContact CG-CD1 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.65Å; F68-L72 HydrophobicContact CZ-CD2 4.43Å; F68-L72 HydrophobicContact CZ-CG 4.05Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 WeakPolarHBondContact O-CG 3.46Å; F68-L72 PolarHBondContact O-N 3.28Å; F68-I193 HydrophobicContact CZ-CD1 4.15Å; F68-L233 HydrophobicContact CD1-CD1 4.06Å; F68-L233 HydrophobicContact CE1-CD1 3.78Å; F68-L233 HydrophobicContact CE1-CD2 3.88Å; F68-L233 HydrophobicContact CE1-CG 4.43Å; F68-L233 HydrophobicContact CZ-CD2 4.36Å
69L88.2Confident85.2Confident44 Ų4450.3 Ų50.323%0.2329%0.291CS..Hα-helixtrans-59.8-38.4172.4-95.663.4000111.6L12 S65 L72 S73 V78 V80L12-L69 HydrophobicContact CD1-CD1 4.14Å; L12-L69 HydrophobicContact CD2-CD1 4.32Å; S65-L69 PolarHBondContact O-N 2.76Å; L69-L72 PolarHBondContact O-N 3.4Å; L69-S73 PolarHBondContact O-N 3.46Å; L69-V78 HydrophobicContact CG-CG1 4.42Å; L69-V80 HydrophobicContact CD2-CG2 3.92Å
70K86.7Confident85.6Confident141 Ų14149.9 Ų49.961%0.61329%0.29SS*.Hα-helixtrans-66.9-45.1177.2-178.860.3-176.6168.20111.8K66 A67 F68 S73K66-K70 VanDerWaalsContact O-CB 3.26Å; K66-K70 WeakPolarHBondContact O-CB 3.46Å; K66-K70 PolarHBondContact O-N 2.99Å; A67-K70 PolarHBondContact O-N 2.81Å; F68-K70 VanDerWaalsContact C-N 3.25Å; F68-K70 PolarHBondContact O-N 2.76Å; K70-S73 WeakPolarHBondContact O-CB 3.22Å; K70-S73 PolarHBondContact O-N 2.88Å; K70-S73 VanDerWaalsContact O-N 3.13Å; K70-S73 PolarHBondContact O-OG 3.15Å
71A85Confident86Confident0 Ų051.5 Ų51.50%029%0.294CS..Hα-helixtrans-60.7-45.1174.900000111V29 D32 L35 A67 F68 S73 S74V29-A71 HydrophobicContact CG1-CB 4.03Å; D32-A71 HydrophobicContact CB-CB 3.95Å; L35-A71 HydrophobicContact CD1-CB 4.35Å; L35-A71 HydrophobicContact CD2-CB 4.07Å; L35-A71 HydrophobicContact CG-CB 4.31Å; A67-A71 WeakPolarHBondContact O-CB 3.39Å; A67-A71 PolarHBondContact O-N 2.95Å; F68-A71 PolarHBondContact O-N 2.78Å; A71-S73 VanDerWaalsContact C-N 3.26Å; A71-S73 PolarHBondContact O-N 2.77Å; A71-S74 VanDerWaalsContact O-CB 3.31Å; A71-S74 WeakPolarHBondContact O-CB 3.22Å; A71-S74 PolarHBondContact O-N 3.1Å; A71-S74 VanDerWaalsContact O-N 3.1Å; A71-S74 PolarHBondContact O-OG 2.61Å
72L86.5Confident86.6Confident0 Ų047.9 Ų47.90%028%0.281CS..Hα-helixtrans-62.3-31174.1-77.4172.9000113L12 I24 W26 V29 F68 L69 S74 Q75 V78L12-L72 HydrophobicContact CD1-CD1 3.65Å; I24-L72 HydrophobicContact CG2-CD2 4.42Å; W26-L72 HydrophobicContact CH2-CD2 4.16Å; W26-L72 HydrophobicContact CZ3-CD2 3.89Å; V29-L72 HydrophobicContact CG1-CD2 4.09Å; V29-L72 HydrophobicContact CG1-CG 4.22Å; V29-L72 HydrophobicContact CG2-CD2 3.92Å; F68-L72 HydrophobicContact CD1-CD1 3.82Å; F68-L72 HydrophobicContact CE1-CD1 3.35Å; F68-L72 HydrophobicContact CE1-CG 4.19Å; F68-L72 HydrophobicContact CE2-CD1 4.31Å; F68-L72 HydrophobicContact CE2-CG 4.28Å; F68-L72 HydrophobicContact CG-CD1 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.65Å; F68-L72 HydrophobicContact CZ-CD2 4.43Å; F68-L72 HydrophobicContact CZ-CG 4.05Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 WeakPolarHBondContact O-CG 3.46Å; F68-L72 PolarHBondContact O-N 3.28Å; L69-L72 PolarHBondContact O-N 3.4Å; L72-S74 PolarHBondContact O-N 3.32Å; L72-S74 VanDerWaalsContact O-N 3.15Å; L72-Q75 VanDerWaalsContact O-CB 3.32Å; L72-Q75 WeakPolarHBondContact O-CB 3.22Å; L72-Q75 PolarHBondContact O-N 3.13Å; L72-V78 VanDerWaalsContact C-CG2 3.46Å; L72-V78 HydrophobicContact CB-CG2 3.69Å; L72-V78 WeakPolarHBondContact O-CG2 3.42Å
73S87.4Confident87Confident51 Ų5154.8 Ų54.836%0.35731%0.307SS..THydrogen-bonded Turntrans-65.7-13.9176.776.20000113.8L69 K70 A71 G76L69-S73 PolarHBondContact O-N 3.46Å; K70-S73 WeakPolarHBondContact O-CB 3.22Å; K70-S73 PolarHBondContact O-N 2.88Å; K70-S73 VanDerWaalsContact O-N 3.13Å; K70-S73 PolarHBondContact O-OG 3.15Å; A71-S73 VanDerWaalsContact C-N 3.26Å; A71-S73 PolarHBondContact O-N 2.77Å; S73-G76 WeakPolarHBondContact CA-O 3.46Å
74S85.2Confident87.5Confident79 Ų7957.6 Ų57.655%0.55232%0.322SS*.THydrogen-bonded Turntrans-70.9-20.4168.3730000113.2A71 L72A71-S74 VanDerWaalsContact O-CB 3.31Å; A71-S74 WeakPolarHBondContact O-CB 3.22Å; A71-S74 PolarHBondContact O-N 3.1Å; A71-S74 VanDerWaalsContact O-N 3.1Å; A71-S74 PolarHBondContact O-OG 2.61Å; L72-S74 PolarHBondContact O-N 3.32Å; L72-S74 VanDerWaalsContact O-N 3.15Å
75Q83.6Confident88Confident24 Ų2458.8 Ų58.811%0.11233%0.325CS..THydrogen-bonded Turntrans-94.8-16.2-176.8-55.7-62.8-55.100112.8K16 I24 D25 V29 L72K16-Q75 VanDerWaalsContact CE-O 3.29Å; K16-Q75 WeakPolarHBondContact CE-O 3.26Å; I24-Q75 HydrophobicContact CG2-CG 4.2Å; D25-Q75 VanDerWaalsContact N-OE1 3.1Å; V29-Q75 HydrophobicContact CG2-CG 3.44Å; V29-Q75 VanDerWaalsContact CG2-CG 3.44Å; L72-Q75 VanDerWaalsContact O-CB 3.32Å; L72-Q75 WeakPolarHBondContact O-CB 3.22Å; L72-Q75 PolarHBondContact O-N 3.13Å
76G86.9Confident88.4Confident16 Ų1658.3 Ų58.317%0.16532%0.323CS..SBendtrans162.1-174.9-179.100000113.1R15 S73 V78R15-G76 WeakPolarHBondContact O-CA 3.26Å; S73-G76 WeakPolarHBondContact CA-O 3.46Å; G76-V78 PolarHBondContact O-N 2.89Å
77D90.3Very high88.8Confident88 Ų8853.9 Ų53.947%0.47131%0.311SS..EExtended strand (participates in β ladder)trans-74106.4175.9-70.6-31.1000109.6I14 R15I14-D77 WeakPolarHBondContact CA-O 2.98Å; R15-D77 HydrophobicContact CB-CB 4.25Å; R15-D77 IonicContact CZ-OD2 3.55Å; R15-D77 PolarHBondContact N-O 2.9Å; R15-D77 IonicContact NE-OD2 2.72Å; R15-D77 PolarHBondContact NE-OD2 2.62Å; R15-D77 IonicContact NH2-OD2 2.76Å; R15-D77 PolarHBondContact NH2-OD2 3.48Å; R15-D77 PolarHBondContact O-N 3.05Å
78V90.9Very high89.3Confident38 Ų3852.9 Ų52.923%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-90.7128.8-179.1-1760000110.4S13 I14 L69 L72 G76S13-V78 WeakPolarHBondContact O-CA 3.29Å; I14-V78 HydrophobicContact CG1-CG2 4.11Å; I14-V78 HydrophobicContact CG2-CG2 4.49Å; L69-V78 HydrophobicContact CG-CG1 4.42Å; L72-V78 VanDerWaalsContact C-CG2 3.46Å; L72-V78 HydrophobicContact CB-CG2 3.69Å; L72-V78 WeakPolarHBondContact O-CG2 3.42Å; G76-V78 PolarHBondContact O-N 2.89Å
79S91.9Very high89.6Confident66 Ų6657.5 Ų57.546%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-127.4140.1170.5-177.30000110.9L12 S13 V81L12-S79 CarbonylContact C-O 3.57Å; L12-S79 WeakPolarHBondContact CA-O 3.29Å; S13-S79 PolarHBondContact N-O 3.31Å; S13-S79 PolarHBondContact O-N 3.49Å; S79-V81 PolarHBondContact O-N 2.88Å
80V88.9Confident89.9Confident57 Ų5757.7 Ų57.735%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-80.5112170.5-177.60000107.6E10 L12 L69E10-V80 HydrophobicContact CG-CG1 4.28Å; L12-V80 HydrophobicContact CD2-CB 4.27Å; L12-V80 HydrophobicContact CD2-CG1 4.4Å; L12-V80 HydrophobicContact CD2-CG2 3.76Å; L69-V80 HydrophobicContact CD2-CG2 3.92Å
81V87.4Confident90.3Very high67 Ų6756 Ų5641%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-76.2-48.5179.3176.80000110I11 S79 L230I11-V81 HydrophobicContact CB-CB 4.33Å; I11-V81 HydrophobicContact CG2-CB 4.13Å; I11-V81 PolarHBondContact O-N 3.37Å; S79-V81 PolarHBondContact O-N 2.88Å; V81-L230 HydrophobicContact CG2-CD2 4.42Å
82T89.5Confident90.8Very high40 Ų4059 Ų5925%0.24534%0.338CS..EExtended strand (participates in β ladder)trans-158.4143.7-179.5-72.80000110.4E10 I11 I98E10-T82 WeakPolarHBondContact CA-O 3.31Å; I11-T82 PolarHBondContact N-O 3.44Å; I11-T82 PolarHBondContact O-N 2.86Å; T82-I98 HydrophobicContact CG2-CD1 3.84Å; T82-I98 HydrophobicContact CG2-CG1 4.48Å; T82-I98 WeakPolarHBondContact OG1-CD1 3.45Å
83R91.1Very high91.3Very high146 Ų14662.5 Ų62.555%0.55136%0.361SS*.EExtended strand (participates in β ladder)trans-122.1128.3167.8-173.9-179.7-64.9162.71.4108.4V9 E10V9-R83 WeakPolarHBondContact O-CA 3.28Å; E10-R83 IonicContact OE1-CZ 3.25Å; E10-R83 IonicContact OE1-NE 3.48Å; E10-R83 PolarHBondContact OE1-NE 3.06Å; E10-R83 IonicContact OE1-NH2 3.46Å; E10-R83 PolarHBondContact OE1-NH2 3.45Å
84N91.1Very high91.7Very high69 Ų6960.8 Ų60.837%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-135.3150.4175.3-162.122.1000110.4V9 M96V9-N84 PolarHBondContact N-O 3.25Å; V9-N84 PolarHBondContact O-N 3.01Å; V9-N84 VanDerWaalsContact O-O 3.12Å; N84-M96 HydrophobicContact CB-CE 3.45Å; N84-M96 VanDerWaalsContact CB-CE 3.45Å; N84-M96 HydrophobicContact CB-SD 4.26Å
85S92.7Very high92.2Very high61 Ų6161.7 Ų61.743%0.42735%0.352SS..EExtended strand (participates in β ladder)trans-133.9128173.9-1670000108.6V6 L7 N8V6-S85 WeakPolarHBondContact CG1-OG 3.49Å; L7-S85 WeakPolarHBondContact O-CA 3.32Å; N8-S85 PolarHBondContact OD1-OG 2.75Å
86A94.4Very high92.7Very high21 Ų2161.4 Ų61.417%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-127.9130.9-177.600000110.1V6 L7 V94V6-A86 CarbonylContact C-O 3.58Å; V6-A86 WeakPolarHBondContact CA-O 3.26Å; L7-A86 PolarHBondContact N-O 3.41Å; L7-A86 PolarHBondContact O-N 2.77Å; A86-V94 HydrophobicContact CB-CG1 3.5Å; A86-V94 VanDerWaalsContact CB-CG1 3.5Å; A86-V94 HydrophobicContact CB-CG2 4.48Å
87V94.9Very high92.9Very high92 Ų9265.9 Ų65.956%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-93.6122.4170.7-171.20000107.9V6 I239V6-V87 HydrophobicContact CG1-CG2 4.46Å; V6-V87 HydrophobicContact CG2-CG1 4.46Å; V6-V87 HydrophobicContact CG2-CG2 4.05Å; V87-I239 HydrophobicContact CG1-CD1 4.09Å
88T95.4Very high92.9Very high10 Ų1064.7 Ų64.76%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-134.1161.6-179.9-168.40000111.6Q4 V5 L7 T92 V94 P137Q4-T88 CarbonylContact C-O 3.56Å; Q4-T88 VanDerWaalsContact CA-O 3.29Å; Q4-T88 WeakPolarHBondContact CA-O 3.47Å; Q4-T88 WeakPolarHBondContact CB-O 3.4Å; V5-T88 HydrophobicContact CG1-CG2 3.66Å; V5-T88 PolarHBondContact N-O 2.85Å; V5-T88 PolarHBondContact O-N 2.79Å; L7-T88 HydrophobicContact CD1-CG2 4.05Å; L7-T88 HydrophobicContact CG-CG2 4.41Å; T88-T92 WeakPolarHBondContact OG1-CB 3.49Å; T88-T92 PolarHBondContact OG1-O 2.71Å; T88-V94 VanDerWaalsContact CB-CG2 3.41Å; T88-V94 HydrophobicContact CG2-CG2 3.55Å; T88-P137 HydrophobicContact CG2-CG 3.58Å
89K94.4Very high92.9Very high98 Ų9865.3 Ų65.343%0.42637%0.37SS..EExtended strand (participates in β ladder)trans-87.8160.5173.5-70173.3-177.8170.80109.7K2 Q4 L91 T92K2-K89 HydrophobicContact CD-CD 4.35Å; Q4-K89 HydrophobicContact CG-CG 3.91Å; K89-L91 PolarHBondContact O-N 3.02Å; K89-T92 WeakPolarHBondContact O-CB 3.26Å; K89-T92 PolarHBondContact O-N 3.28Å; K89-T92 VanDerWaalsContact O-N 3.16Å
90N94.2Very high92.9Very high47 Ų4766.5 Ų66.525%0.25137%0.371SS..THydrogen-bonded Turntrans-51.4137.4168.9-165.623000111R3 T92 P137 F138 I139R3-N90 PolarHBondContact O-N 2.89Å; N90-T92 PolarHBondContact O-N 3.11Å; N90-P137 PolarHBondContact OD1-O 3.21Å; N90-F138 VanDerWaalsContact OD1-CA 3.26Å; N90-F138 WeakPolarHBondContact OD1-CA 3.47Å; N90-I139 HydrophobicContact CB-CD1 4.18Å; N90-I139 HydrophobicContact CB-CG1 4.38Å; N90-I139 PolarHBondContact OD1-N 2.92Å
91L94Very high93.2Very high106 Ų10669.8 Ų69.856%0.55538%0.383SS*.THydrogen-bonded Turntrans57.627.7-179.2-59.8173.4000114.5K89 P137 F138K89-L91 PolarHBondContact O-N 3.02Å; L91-P137 PolarHBondContact N-O 2.84Å; L91-F138 HydrophobicContact CD2-CB 4.13Å; L91-F138 HydrophobicContact CD2-CD2 3.77Å; L91-F138 HydrophobicContact CD2-CG 4.34Å; L91-F138 HydrophobicContact CG-CD2 4.18Å
92T96.1Very high93.5Very high62 Ų6270.2 Ų70.238%0.3838%0.38SS..  trans-115.6115.2175-56.40000109.9T88 K89 N90T88-T92 WeakPolarHBondContact OG1-CB 3.49Å; T88-T92 PolarHBondContact OG1-O 2.71Å; K89-T92 WeakPolarHBondContact O-CB 3.26Å; K89-T92 PolarHBondContact O-N 3.28Å; K89-T92 VanDerWaalsContact O-N 3.16Å; N90-T92 PolarHBondContact O-N 3.11Å
93P96.7Very high93.7Very high75 Ų7572.2 Ų72.249%0.48740%0.396SS..  trans-67.7145.8-176.727.6-34000111.7T134 L135 L136P93-T134 HydrophobicContact CB-CG2 3.91Å; P93-L135 CarbonylContact C-O 3.57Å; P93-L135 WeakPolarHBondContact CA-O 3.39Å; P93-L136 HydrophobicContact CB-CD1 4.31Å
94V96.4Very high93.8Very high15 Ų1566.9 Ų66.99%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-117.397.3176.7-1790000108.3L7 A86 T88 M96 T134 L135L7-V94 HydrophobicContact CD1-CB 4.46Å; L7-V94 HydrophobicContact CD1-CG2 4.09Å; A86-V94 HydrophobicContact CB-CG1 3.5Å; A86-V94 VanDerWaalsContact CB-CG1 3.5Å; A86-V94 HydrophobicContact CB-CG2 4.48Å; T88-V94 VanDerWaalsContact CB-CG2 3.41Å; T88-V94 HydrophobicContact CG2-CG2 3.55Å; V94-M96 HydrophobicContact CG1-CG 4.48Å; V94-T134 WeakPolarHBondContact O-CA 3.49Å; V94-L135 HydrophobicContact CB-CB 4.41Å; V94-L135 PolarHBondContact N-O 2.84Å; V94-L135 PolarHBondContact O-N 3.15Å
95P96Very high93.9Very high98 Ų9865.5 Ų65.564%0.63637%0.368SS*.EExtended strand (participates in β ladder)trans-76.3142.1172.832-33.4000110.4M133P95-M133 CarbonylContact C-O 3.59Å; P95-M133 WeakPolarHBondContact CA-O 3.29Å
96M92.7Very high93.8Very high17 Ų1767.9 Ų67.98%0.08437%0.373CS..EExtended strand (participates in β ladder)trans-135.4132.7174.6-69.1-177.149.700108.4V9 N84 V94 N132 M133V9-M96 HydrophobicContact CB-CE 3.92Å; V9-M96 HydrophobicContact CB-SD 3.99Å; V9-M96 HydrophobicContact CG1-CE 3.85Å; V9-M96 HydrophobicContact CG1-SD 4.23Å; V9-M96 HydrophobicContact CG2-CE 4.36Å; V9-M96 HydrophobicContact CG2-SD 3.75Å; N84-M96 HydrophobicContact CB-CE 3.45Å; N84-M96 VanDerWaalsContact CB-CE 3.45Å; N84-M96 HydrophobicContact CB-SD 4.26Å; V94-M96 HydrophobicContact CG1-CG 4.48Å; M96-N132 CarbonylContact O-C 3.57Å; M96-N132 WeakPolarHBondContact O-CA 3.38Å; M96-M133 HydrophobicContact CE-CE 4.2Å; M96-M133 PolarHBondContact N-O 3.17Å; M96-M133 PolarHBondContact O-N 2.88Å; M96-M133 HydrophobicContact SD-CE 3.63Å
97Q92.6Very high93.4Very high110 Ų11068.9 Ų68.951%0.51438%0.379SS..EExtended strand (participates in β ladder)trans-140.9128.3-178.2-179.476.674.700109.9A99 F131 N132Q97-A99 HydrophobicContact CG-CB 3.76Å; Q97-F131 VanDerWaalsContact NE2-C 3.32Å; Q97-F131 PolarHBondContact NE2-O 3.42Å; Q97-N132 VanDerWaalsContact OE1-CB 3.22Å
98I89.4Confident93Very high63 Ų6366 Ų6632%0.32336%0.361SS..EExtended strand (participates in β ladder)trans-120.398.6166.4-55.3158000105.2I11 T82 G130 F131I11-I98 HydrophobicContact CD1-CD1 3.93Å; T82-I98 HydrophobicContact CG2-CD1 3.84Å; T82-I98 HydrophobicContact CG2-CG1 4.48Å; T82-I98 WeakPolarHBondContact OG1-CD1 3.45Å; I98-G130 CarbonylContact O-C 3.54Å; I98-F131 HydrophobicContact CD1-CD1 4.27Å; I98-F131 PolarHBondContact N-O 2.72Å; I98-F131 PolarHBondContact O-N 3.16Å
99A91.1Very high92.4Very high52 Ų5268.2 Ų68.243%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-124.9153.3-173.300000112.7Q97 T128 T129Q97-A99 HydrophobicContact CG-CB 3.76Å; A99-T128 HydrophobicContact CB-CG2 3.52Å; A99-T129 CarbonylContact C-O 3.59Å; A99-T129 WeakPolarHBondContact CA-O 3.39Å
100N91.8Very high91.9Very high91 Ų9166.6 Ų66.649%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-112.4128.2162.6-175.4-102.8000108.6T128 T129N100-T128 WeakPolarHBondContact O-CA 3.23Å; N100-T129 PolarHBondContact N-O 3.01Å; N100-T129 PolarHBondContact O-N 2.9Å
101Q94.6Very high91.4Very high126 Ų12668.9 Ų68.959%0.58939%0.385SS*.EExtended strand (participates in β ladder)trans-103.6125173.8-172.9172.668.100108.7T126 I127Q101-T126 HydrophobicContact CG-CG2 4.2Å; Q101-T126 PolarHBondContact NE2-OG1 2.92Å; Q101-I127 CarbonylContact C-O 3.6Å; Q101-I127 WeakPolarHBondContact CA-O 3.43Å
102Q93.9Very high91Very high75 Ų7568.7 Ų68.735%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-121.3130.5179.2179.9173.8-6.600109.7T126 I127 P158Q102-T126 CarbonylContact O-C 3.57Å; Q102-T126 WeakPolarHBondContact O-CA 3.22Å; Q102-I127 HydrophobicContact CB-CG2 4.21Å; Q102-I127 PolarHBondContact N-O 3.01Å; Q102-I127 PolarHBondContact O-N 3.33Å; Q102-P158 VanDerWaalsContact OE1-CG 3.3Å
103S93.9Very high90.5Very high82 Ų8269.6 Ų69.657%0.57339%0.394SS*.EExtended strand (participates in β ladder)trans-80.9144.6171.9-530000111A125S103-A125 CarbonylContact C-O 3.59Å; S103-A125 VanDerWaalsContact CA-O 3.22Å; S103-A125 WeakPolarHBondContact CA-O 3.4Å
104Y93.3Very high90Very high35 Ų3570 Ų7014%0.13740%0.404CS..EExtended strand (participates in β ladder)trans-142158.6173.370.6-83.8000110E106 A124 A125 I127 Q171 P173Y104-E106 HydrophobicContact CD2-CB 4.49Å; Y104-E106 HydrophobicContact CE2-CB 3.86Å; Y104-E106 HydrophobicContact CE2-CG 4.4Å; Y104-E106 PolarHBondContact O-N 2.8Å; Y104-A124 CarbonylContact O-C 3.56Å; Y104-A124 VanDerWaalsContact O-CA 3.27Å; Y104-A124 WeakPolarHBondContact O-CA 3.17Å; Y104-A125 HydrophobicContact CD1-CB 4.41Å; Y104-A125 HydrophobicContact CE1-CB 3.76Å; Y104-A125 HydrophobicContact CE2-CB 4.26Å; Y104-A125 PolarHBondContact N-O 2.88Å; Y104-A125 PolarHBondContact O-N 2.79Å; Y104-I127 HydrophobicContact CD1-CB 4.31Å; Y104-I127 HydrophobicContact CD1-CG2 4.19Å; Y104-I127 HydrophobicContact CE1-CB 4.11Å; Y104-I127 HydrophobicContact CE1-CG2 4.49Å; Y104-Q171 HydrophobicContact CD2-CB 4.13Å; Y104-Q171 WeakPolarHBondContact CD2-O 3.26Å; Y104-Q171 WeakPolarHBondContact CE2-O 2.83Å; Y104-P173 HydrophobicContact CD1-CG 4.1Å; Y104-P173 HydrophobicContact CD2-CG 4.17Å; Y104-P173 HydrophobicContact CE1-CG 3.84Å; Y104-P173 HydrophobicContact CE2-CG 3.91Å; Y104-P173 HydrophobicContact CG-CG 4.25Å
105I93Very high89.4Confident39 Ų3977.7 Ų77.720%0.245%0.445CS..EExtended strand (participates in β ladder)trans-83.4103.9176.5-55-51.9000109.3V108 L122 A124 Q171I105-V108 HydrophobicContact CG2-CG2 4.07Å; I105-L122 HydrophobicContact CD1-CB 4.31Å; I105-L122 HydrophobicContact CG2-CD2 4.21Å; I105-A124 HydrophobicContact CD1-CB 4.16Å; I105-Q171 WeakPolarHBondContact O-CB 3.47Å; I105-Q171 PolarHBondContact O-N 2.89Å
106E90.5Very high88.9Confident111 Ų11178.9 Ų78.952%0.51945%0.45SS..EExtended strand (participates in β ladder)trans-72.7-43.6-179.9178.9-177.4-124.200111.4Y104 N123 A125Y104-E106 HydrophobicContact CD2-CB 4.49Å; Y104-E106 HydrophobicContact CE2-CB 3.86Å; Y104-E106 HydrophobicContact CE2-CG 4.4Å; Y104-E106 PolarHBondContact O-N 2.8Å; E106-N123 PolarHBondContact N-O 2.83Å; E106-A125 HydrophobicContact CB-CB 3.87Å
107S86.8Confident88.5Confident43 Ų4380.1 Ų80.130%0.30147%0.466SS..EExtended strand (participates in β ladder)trans-150.3158.4-178.662.70000112.1N123S107-N123 PolarHBondContact N-O 2.89Å; S107-N123 PolarHBondContact O-N 2.9Å; S107-N123 WeakPolarHBondContact OG-CB 3.39Å; S107-N123 PolarHBondContact OG-ND2 2.96Å; S107-N123 VanDerWaalsContact OG-ND2 3.08Å
108V86.1Confident88.1Confident31 Ų3178.7 Ų78.719%0.18847%0.469CS..EExtended strand (participates in β ladder)trans-120.8120.8171.9-176.30000107.2I105 T120 S121 L122 S168 K169I105-V108 HydrophobicContact CG2-CG2 4.07Å; V108-T120 HydrophobicContact CG1-CG2 3.34Å; V108-S121 WeakPolarHBondContact CA-O 3.35Å; V108-L122 HydrophobicContact CB-CD2 4.34Å; V108-L122 HydrophobicContact CG1-CD2 4.03Å; V108-L122 HydrophobicContact CG2-CD2 3.56Å; V108-S168 WeakPolarHBondContact CG1-OG 3.36Å; V108-K169 WeakPolarHBondContact CG2-O 3.4Å
109T83.7Confident87.8Confident57 Ų5779.3 Ų79.335%0.3548%0.478SS..EExtended strand (participates in β ladder)trans-105.5125.7178.5-54.10000108.7T120 S121 N123T109-T120 CarbonylContact O-C 3.36Å; T109-T120 WeakPolarHBondContact O-CA 3.44Å; T109-S121 PolarHBondContact N-O 2.83Å; T109-S121 PolarHBondContact O-N 3.05Å; T109-N123 PolarHBondContact OG1-ND2 2.9Å
110T83.3Confident87.5Confident64 Ų6481.1 Ų81.139%0.39348%0.484SS..EExtended strand (participates in β ladder)trans-113.6110.8172.9-57.80000109.2S119 T120T110-S119 CarbonylContact C-O 3.53Å; T110-S119 WeakPolarHBondContact CA-O 3.41Å; T110-T120 PolarHBondContact OG1-OG1 2.82Å; T110-T120 VanDerWaalsContact OG1-OG1 3.11Å
111D83.7Confident87.2Confident95 Ų9579.6 Ų79.651%0.50848%0.481SS..EExtended strand (participates in β ladder)trans-94.5126.3174.7-65.8-47.8000108.9S118 S119D111-S118 CarbonylContact O-C 3.53Å; D111-S118 VanDerWaalsContact O-CA 3.27Å; D111-S118 WeakPolarHBondContact O-CA 3.32Å; D111-S119 PolarHBondContact N-O 2.93Å; D111-S119 PolarHBondContact O-N 3.08Å
112T85.9Confident86.9Confident102 Ų10278.9 Ų78.963%0.62648%0.481SS*.EExtended strand (participates in β ladder)trans-113.8117.7176.9-59.90000109.3S118T112-S118 WeakPolarHBondContact CB-OG 3.29Å; T112-S118 VanDerWaalsContact CG2-OG 3.3Å; T112-S118 WeakPolarHBondContact CG2-OG 3.39Å; T112-S118 PolarHBondContact OG1-OG 2.8Å
113T84.4Confident86.7Confident80 Ų8078 Ų7849%0.49148%0.478SS..EExtended strand (participates in β ladder)trans-107.6124.8176.5-58.70000109.3N115 V116 G117T113-N115 PolarHBondContact O-N 3.34Å; T113-V116 HydrophobicContact CG2-CB 3.89Å; T113-V116 HydrophobicContact CG2-CG2 3.72Å; T113-V116 PolarHBondContact O-N 3.23Å; T113-V116 VanDerWaalsContact O-N 3.14Å; T113-G117 PolarHBondContact N-O 2.83Å; T113-G117 PolarHBondContact O-N 3.06Å; T113-G117 VanDerWaalsContact O-N 3.07Å
114A86.2Confident86.7Confident83 Ų8377.5 Ų77.569%0.68648%0.479SS*.THydrogen-bonded Turntrans-54.7133.6-18000000111.1V116A114-V116 PolarHBondContact O-N 3.33Å
115N85.1Confident86.7Confident178 Ų17876.8 Ų76.895%0.95248%0.48SS*.THydrogen-bonded Turntrans61.92.3-179.1-60.934.5000116.3T113T113-N115 PolarHBondContact O-N 3.34Å
116V84.1Confident86.8Confident123 Ų12378.4 Ų78.475%0.74549%0.492SS*.THydrogen-bonded Turntrans-111-35.3178-177.50000111.1T113 A114T113-V116 HydrophobicContact CG2-CB 3.89Å; T113-V116 HydrophobicContact CG2-CG2 3.72Å; T113-V116 PolarHBondContact O-N 3.23Å; T113-V116 VanDerWaalsContact O-N 3.14Å; A114-V116 PolarHBondContact O-N 3.33Å
117G85.7Confident87Confident42 Ų4274.7 Ų74.743%0.43348%0.476SS..EExtended strand (participates in β ladder)trans121.8-173.3179.400000112.8T113T113-G117 PolarHBondContact N-O 2.83Å; T113-G117 PolarHBondContact O-N 3.06Å; T113-G117 VanDerWaalsContact O-N 3.07Å
118S84.2Confident87.4Confident81 Ų8176.1 Ų76.157%0.56648%0.483SS*.EExtended strand (participates in β ladder)trans-109.6138.3174.4-56.30000110.7D111 T112D111-S118 CarbonylContact O-C 3.53Å; D111-S118 VanDerWaalsContact O-CA 3.27Å; D111-S118 WeakPolarHBondContact O-CA 3.32Å; T112-S118 WeakPolarHBondContact CB-OG 3.29Å; T112-S118 VanDerWaalsContact CG2-OG 3.3Å; T112-S118 WeakPolarHBondContact CG2-OG 3.39Å; T112-S118 PolarHBondContact OG1-OG 2.8Å
119S83.3Confident87.7Confident75 Ų7575 Ų7552%0.52448%0.475SS..EExtended strand (participates in β ladder)trans-117.3133.2171.554.30000109.8T110 D111T110-S119 CarbonylContact C-O 3.53Å; T110-S119 WeakPolarHBondContact CA-O 3.41Å; D111-S119 PolarHBondContact N-O 2.93Å; D111-S119 PolarHBondContact O-N 3.08Å
120T84.6Confident88.1Confident90 Ų9073.1 Ų73.155%0.55247%0.468SS*.EExtended strand (participates in β ladder)trans-111.3127.9177-59.70000109.7V108 T109 T110V108-T120 HydrophobicContact CG1-CG2 3.34Å; T109-T120 CarbonylContact O-C 3.36Å; T109-T120 WeakPolarHBondContact O-CA 3.44Å; T110-T120 PolarHBondContact OG1-OG1 2.82Å; T110-T120 VanDerWaalsContact OG1-OG1 3.11Å
121S85.8Confident88.5Confident59 Ų5970.6 Ų70.641%0.41345%0.452SS..EExtended strand (participates in β ladder)trans-114.8139.4176.2-175.10000110.5V108 T109V108-S121 WeakPolarHBondContact CA-O 3.35Å; T109-S121 PolarHBondContact N-O 2.83Å; T109-S121 PolarHBondContact O-N 3.05Å
122L87Confident88.9Confident112 Ų11268.1 Ų68.159%0.58644%0.438SS*.EExtended strand (participates in β ladder)trans-96.6120.6171.5-61.8176.4000108.8I105 V108I105-L122 HydrophobicContact CD1-CB 4.31Å; I105-L122 HydrophobicContact CG2-CD2 4.21Å; V108-L122 HydrophobicContact CB-CD2 4.34Å; V108-L122 HydrophobicContact CG1-CD2 4.03Å; V108-L122 HydrophobicContact CG2-CD2 3.56Å
123N90.5Very high89.3Confident57 Ų5763.3 Ų63.331%0.30541%0.409SS..EExtended strand (participates in β ladder)trans-97.6110.8175.4-54.9-56.6000108.8E106 S107 T109E106-N123 PolarHBondContact N-O 2.83Å; S107-N123 PolarHBondContact N-O 2.89Å; S107-N123 PolarHBondContact O-N 2.9Å; S107-N123 WeakPolarHBondContact OG-CB 3.39Å; S107-N123 PolarHBondContact OG-ND2 2.96Å; S107-N123 VanDerWaalsContact OG-ND2 3.08Å; T109-N123 PolarHBondContact OG1-ND2 2.9Å
124A93.1Very high89.9Confident71 Ų7162.2 Ų62.259%0.58740%0.402SS*.EExtended strand (participates in β ladder)trans-90139176.600000111Y104 I105Y104-A124 CarbonylContact O-C 3.56Å; Y104-A124 VanDerWaalsContact O-CA 3.27Å; Y104-A124 WeakPolarHBondContact O-CA 3.17Å; I105-A124 HydrophobicContact CD1-CB 4.16Å
125A94.1Very high90.3Very high20 Ų2058.2 Ų58.217%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-117.7172.3168.100000109.7S103 Y104 E106S103-A125 CarbonylContact C-O 3.59Å; S103-A125 VanDerWaalsContact CA-O 3.22Å; S103-A125 WeakPolarHBondContact CA-O 3.4Å; Y104-A125 HydrophobicContact CD1-CB 4.41Å; Y104-A125 HydrophobicContact CE1-CB 3.76Å; Y104-A125 HydrophobicContact CE2-CB 4.26Å; Y104-A125 PolarHBondContact N-O 2.88Å; Y104-A125 PolarHBondContact O-N 2.79Å; E106-A125 HydrophobicContact CB-CB 3.87Å
126T95.1Very high90.9Very high72 Ų7252.3 Ų52.344%0.44234%0.337SS..EExtended strand (participates in β ladder)trans-122.3141176.362.10000110.7Q101 Q102Q101-T126 HydrophobicContact CG-CG2 4.2Å; Q101-T126 PolarHBondContact NE2-OG1 2.92Å; Q102-T126 CarbonylContact O-C 3.57Å; Q102-T126 WeakPolarHBondContact O-CA 3.22Å
127I94.4Very high91.5Very high34 Ų3446.5 Ų46.517%0.17430%0.302CS..EExtended strand (participates in β ladder)trans-116133.5170.8-170.4164.7000109.6Q101 Q102 Y104 T129 P158 P173 V175Q101-I127 CarbonylContact C-O 3.6Å; Q101-I127 WeakPolarHBondContact CA-O 3.43Å; Q102-I127 HydrophobicContact CB-CG2 4.21Å; Q102-I127 PolarHBondContact N-O 3.01Å; Q102-I127 PolarHBondContact O-N 3.33Å; Y104-I127 HydrophobicContact CD1-CB 4.31Å; Y104-I127 HydrophobicContact CD1-CG2 4.19Å; Y104-I127 HydrophobicContact CE1-CB 4.11Å; Y104-I127 HydrophobicContact CE1-CG2 4.49Å; I127-T129 HydrophobicContact CG1-CG2 4.23Å; I127-P158 HydrophobicContact CD1-CB 4.41Å; I127-P158 HydrophobicContact CG2-CB 4.29Å; I127-P158 HydrophobicContact CG2-CG 4.06Å; I127-P173 HydrophobicContact CD1-CB 3.64Å; I127-P173 HydrophobicContact CD1-CG 3.88Å; I127-P173 HydrophobicContact CG2-CB 4.44Å; I127-V175 HydrophobicContact CD1-CG2 3.46Å; I127-V175 VanDerWaalsContact CD1-CG2 3.46Å; I127-V175 HydrophobicContact CG1-CG2 4.42Å
128T94.6Very high92Very high73 Ų7348.3 Ų48.345%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-109.2121.5-180-57.70000108.8A99 N100A99-T128 HydrophobicContact CB-CG2 3.52Å; N100-T128 WeakPolarHBondContact O-CA 3.23Å
129T93.8Very high92.5Very high6 Ų644.6 Ų44.64%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-129.5166-179.758.50000110.9A99 N100 I127 D156 P158 V175A99-T129 CarbonylContact C-O 3.59Å; A99-T129 WeakPolarHBondContact CA-O 3.39Å; N100-T129 PolarHBondContact N-O 3.01Å; N100-T129 PolarHBondContact O-N 2.9Å; I127-T129 HydrophobicContact CG1-CG2 4.23Å; T129-D156 WeakPolarHBondContact CB-O 3.39Å; T129-D156 WeakPolarHBondContact CG2-O 3.35Å; T129-P158 HydrophobicContact CG2-CG 4.42Å; T129-V175 HydrophobicContact CG2-CB 4.46Å; T129-V175 HydrophobicContact CG2-CG1 3.87Å; T129-V175 HydrophobicContact CG2-CG2 3.66Å
130G91.2Very high93Very high19 Ų1943.8 Ų43.820%0.19626%0.261CS..EExtended strand (participates in β ladder)trans122-152-176.600000112.6I98 L154 S155I98-G130 CarbonylContact O-C 3.54Å; G130-L154 CarbonylContact O-C 3.54Å; G130-L154 WeakPolarHBondContact O-CA 3.44Å; G130-S155 PolarHBondContact N-O 2.76Å; G130-S155 PolarHBondContact O-N 2.94Å
131F91.1Very high93.3Very high11 Ų1144.2 Ų44.25%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-106.1127.6-174.2177.8-94.5000111.5I11 Q97 I98 M133 M152 S153 L154 F197 V232I11-F131 HydrophobicContact CD1-CD1 3.59Å; I11-F131 HydrophobicContact CD1-CE1 3.28Å; I11-F131 HydrophobicContact CD1-CG 4.4Å; I11-F131 HydrophobicContact CD1-CZ 3.88Å; I11-F131 HydrophobicContact CG1-CE1 4.35Å; Q97-F131 VanDerWaalsContact NE2-C 3.32Å; Q97-F131 PolarHBondContact NE2-O 3.42Å; I98-F131 HydrophobicContact CD1-CD1 4.27Å; I98-F131 PolarHBondContact N-O 2.72Å; I98-F131 PolarHBondContact O-N 3.16Å; F131-M133 HydrophobicContact CE1-CB 3.71Å; F131-M133 HydrophobicContact CZ-CB 3.78Å; F131-M133 HydrophobicContact CZ-SD 4.25Å; F131-M152 HydrophobicContact CE2-CB 4.21Å; F131-M152 HydrophobicContact CZ-CB 4.27Å; F131-S153 WeakPolarHBondContact CA-O 3.47Å; F131-L154 HydrophobicContact CB-CD1 4.01Å; F131-L154 HydrophobicContact CD2-CD1 4.42Å; F131-F197 HydrophobicContact CE2-CE2 4.44Å; F131-V232 HydrophobicContact CE2-CG2 4.41Å; F131-V232 HydrophobicContact CZ-CG2 4.29Å
132N93Very high93.3Very high43 Ų4349.6 Ų49.623%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-125.2149.516862-85.6000111.2M96 Q97 M152 S153M96-N132 CarbonylContact O-C 3.57Å; M96-N132 WeakPolarHBondContact O-CA 3.38Å; Q97-N132 VanDerWaalsContact OE1-CB 3.22Å; N132-M152 CarbonylContact O-C 3.6Å; N132-M152 VanDerWaalsContact O-CA 3.27Å; N132-M152 WeakPolarHBondContact O-CA 3.43Å; N132-S153 PolarHBondContact N-O 2.94Å; N132-S153 PolarHBondContact ND2-OG 3.48Å; N132-S153 PolarHBondContact O-N 2.79Å; N132-S153 PolarHBondContact OD1-O 3.25Å; N132-S153 PolarHBondContact OD1-OG 2.76Å
133M93.8Very high93.3Very high1 Ų146 Ų461%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-148.9142.8175.7-178.3177.667.800110.8V9 P95 M96 F131 L135 S151 M152 V232 I234V9-M133 HydrophobicContact CB-CE 4.32Å; V9-M133 HydrophobicContact CG1-CE 3.57Å; V9-M133 HydrophobicContact CG2-CE 3.87Å; P95-M133 CarbonylContact C-O 3.59Å; P95-M133 WeakPolarHBondContact CA-O 3.29Å; M96-M133 HydrophobicContact CE-CE 4.2Å; M96-M133 PolarHBondContact N-O 3.17Å; M96-M133 PolarHBondContact O-N 2.88Å; M96-M133 HydrophobicContact SD-CE 3.63Å; F131-M133 HydrophobicContact CE1-CB 3.71Å; F131-M133 HydrophobicContact CZ-CB 3.78Å; F131-M133 HydrophobicContact CZ-SD 4.25Å; M133-L135 HydrophobicContact CE-CD1 3.75Å; M133-L135 HydrophobicContact CE-CD2 4Å; M133-L135 HydrophobicContact CE-CG 3.81Å; M133-L135 HydrophobicContact CG-CD2 3.97Å; M133-L135 HydrophobicContact CG-CG 4.27Å; M133-L135 HydrophobicContact SD-CD2 3.7Å; M133-L135 HydrophobicContact SD-CG 4.15Å; M133-S151 CarbonylContact C-O 3.48Å; M133-S151 WeakPolarHBondContact CA-O 3.46Å; M133-M152 HydrophobicContact CB-CB 4.14Å; M133-M152 HydrophobicContact CG-CB 4.03Å; M133-M152 HydrophobicContact SD-CE 3.77Å; M133-V232 HydrophobicContact SD-CG1 4.3Å; M133-I234 HydrophobicContact SD-CD1 4.27Å
134T96.3Very high93.3Very high56 Ų5648.6 Ų48.634%0.34428%0.284SS..EExtended strand (participates in β ladder)trans-121.7129.3167.5-58.70000108.9P93 V94 Y150 S151P93-T134 HydrophobicContact CB-CG2 3.91Å; V94-T134 WeakPolarHBondContact O-CA 3.49Å; T134-Y150 WeakPolarHBondContact O-CA 3.37Å; T134-S151 PolarHBondContact N-O 2.62Å; T134-S151 PolarHBondContact O-N 3Å
135L96.5Very high93.4Very high0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-111128.9174.5-59.8-178.5000110L7 V9 P93 V94 M133 L148 Y150 I234L7-L135 HydrophobicContact CB-CD1 4.38Å; L7-L135 HydrophobicContact CD1-CB 3.83Å; L7-L135 HydrophobicContact CD1-CD1 3.96Å; V9-L135 HydrophobicContact CG2-CD1 3.6Å; P93-L135 CarbonylContact C-O 3.57Å; P93-L135 WeakPolarHBondContact CA-O 3.39Å; V94-L135 HydrophobicContact CB-CB 4.41Å; V94-L135 PolarHBondContact N-O 2.84Å; V94-L135 PolarHBondContact O-N 3.15Å; M133-L135 HydrophobicContact CE-CD1 3.75Å; M133-L135 HydrophobicContact CE-CD2 4Å; M133-L135 HydrophobicContact CE-CG 3.81Å; M133-L135 HydrophobicContact CG-CD2 3.97Å; M133-L135 HydrophobicContact CG-CG 4.27Å; M133-L135 HydrophobicContact SD-CD2 3.7Å; M133-L135 HydrophobicContact SD-CG 4.15Å; L135-L148 HydrophobicContact CB-CD1 4.23Å; L135-L148 HydrophobicContact CD2-CD2 4.49Å; L135-Y150 VanDerWaalsContact CD2-CB 3.47Å; L135-I234 HydrophobicContact CD1-CD1 4.29Å; L135-I234 HydrophobicContact CD1-CG2 4.08Å; L135-I234 HydrophobicContact CD2-CD1 3.69Å
136L96.8Very high93.4Very high54 Ų5445.7 Ų45.728%0.28326%0.257SS..EExtended strand (participates in β ladder)trans-122.3105.9175.1179.364.7000109.5P93 L149P93-L136 HydrophobicContact CB-CD1 4.31Å; L136-L149 HydrophobicContact CB-CB 4.26Å; L136-L149 HydrophobicContact CD2-CD2 4.19Å; L136-L149 PolarHBondContact N-O 2.98Å; L136-L149 PolarHBondContact O-N 2.76Å
137P96.8Very high93.4Very high0 Ų045.9 Ų45.90%025%0.253CS..EExtended strand (participates in β ladder)trans-84.4135.2175.531.7-31.3000111.4V5 L7 T88 N90 L91 L146 L148V5-P137 HydrophobicContact CG1-CB 3.79Å; V5-P137 HydrophobicContact CG1-CG 3.67Å; L7-P137 HydrophobicContact CD1-CG 4.37Å; T88-P137 HydrophobicContact CG2-CG 3.58Å; N90-P137 PolarHBondContact OD1-O 3.21Å; L91-P137 PolarHBondContact N-O 2.84Å; P137-L146 HydrophobicContact CB-CD1 4.1Å; P137-L148 HydrophobicContact CB-CD1 4.25Å
138F96.1Very high93.5Very high80 Ų8044.3 Ų44.335%0.35125%0.245SC..EExtended strand (participates in β ladder)trans-116.5100.9164.2173.9-119.6000109.5N90 L91 L140 L146 Q147N90-F138 VanDerWaalsContact OD1-CA 3.26Å; N90-F138 WeakPolarHBondContact OD1-CA 3.47Å; L91-F138 HydrophobicContact CD2-CB 4.13Å; L91-F138 HydrophobicContact CD2-CD2 3.77Å; L91-F138 HydrophobicContact CD2-CG 4.34Å; L91-F138 HydrophobicContact CG-CD2 4.18Å; F138-L140 HydrophobicContact CD1-CD1 4.28Å; F138-L140 HydrophobicContact CE1-CD1 4.34Å; F138-L140 HydrophobicContact CE1-CG 4.49Å; F138-L140 PolarHBondContact O-N 2.82Å; F138-L146 CarbonylContact O-C 3.52Å; F138-L146 VanDerWaalsContact O-CA 3.22Å; F138-L146 WeakPolarHBondContact O-CA 3.49Å; F138-L146 WeakPolarHBondContact O-CB 3.46Å; F138-Q147 HydrophobicContact CB-CB 4.27Å; F138-Q147 HydrophobicContact CD1-CB 4.21Å; F138-Q147 PolarHBondContact N-O 2.91Å; F138-Q147 PolarHBondContact O-N 3.01Å
139I95.6Very high93.5Very high3 Ų344.4 Ų44.42%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-77.5119.3178.9-54.3173.1000108.5R3 V5 N90 L146 I238R3-I139 HydrophobicContact CB-CD1 3.78Å; R3-I139 HydrophobicContact CB-CG2 4.44Å; R3-I139 VanDerWaalsContact NH1-CG2 3.26Å; V5-I139 HydrophobicContact CB-CD1 4.13Å; V5-I139 HydrophobicContact CG1-CD1 4.35Å; N90-I139 HydrophobicContact CB-CD1 4.18Å; N90-I139 HydrophobicContact CB-CG1 4.38Å; N90-I139 PolarHBondContact OD1-N 2.92Å; I139-L146 HydrophobicContact CG1-CB 4.33Å; I139-I238 HydrophobicContact CD1-CG2 4.47Å; I139-I238 HydrophobicContact CG2-CD1 4.01Å; I139-I238 HydrophobicContact CG2-CG2 4.43Å
140L93.3Very high93.5Very high59 Ų5944.1 Ų44.131%0.30924%0.241SC..PPolyproline II helixtrans-65.1140.5178.8-83.371.7000110.1R3 F138 D142 S143 T145 Q147R3-L140 PolarHBondContact NH1-O 2.86Å; F138-L140 HydrophobicContact CD1-CD1 4.28Å; F138-L140 HydrophobicContact CE1-CD1 4.34Å; F138-L140 HydrophobicContact CE1-CG 4.49Å; F138-L140 PolarHBondContact O-N 2.82Å; L140-D142 PolarHBondContact O-N 2.87Å; L140-S143 PolarHBondContact O-N 2.86Å; L140-T145 PolarHBondContact N-O 2.84Å; L140-Q147 HydrophobicContact CD1-CB 4.49Å
141P90.1Very high93.6Very high99 Ų9945.3 Ų45.364%0.64325%0.246SC*.THydrogen-bonded Turntrans-53.3137.3175.2-25.434.6000111.8S143P141-S143 PolarHBondContact O-N 2.72Å
142D85.4Confident93.7Very high172 Ų17244.8 Ų44.892%0.9224%0.244SC*.THydrogen-bonded Turntrans5219.1174.6-51.4-43.5000116.3L140L140-D142 PolarHBondContact O-N 2.87Å
143S88Confident93.6Very high35 Ų3543.4 Ų43.425%0.24524%0.237CC..SBendtrans-120.9153.7-177.3-176.90000111.7R3 L140 P141 T145R3-S143 VanDerWaalsContact CZ-O 3.26Å; R3-S143 PolarHBondContact NH1-O 2.81Å; R3-S143 PolarHBondContact NH2-O 3.25Å; L140-S143 PolarHBondContact O-N 2.86Å; P141-S143 PolarHBondContact O-N 2.72Å; S143-T145 PolarHBondContact O-N 2.9Å; S143-T145 VanDerWaalsContact OG-CB 3.28Å; S143-T145 WeakPolarHBondContact OG-CB 3.46Å; S143-T145 PolarHBondContact OG-N 3.48Å; S143-T145 PolarHBondContact OG-OG1 2.85Å
144Q90.6Very high93.4Very high113 Ų11344.3 Ų44.353%0.52824%0.242SC..SBendtrans-85.519.1165.4-71.8-66.6-34.300111.8K187 S188Q144-K187 CarbonylContact O-C 3.57Å; Q144-K187 WeakPolarHBondContact O-CA 3.39Å; Q144-S188 PolarHBondContact O-N 3.49Å
145T94.3Very high93.1Very high30 Ų3042.6 Ų42.618%0.18423%0.232CC..EExtended strand (participates in β ladder)trans-109.9142.7179.5-46.30000110L140 S143 L186L140-T145 PolarHBondContact N-O 2.84Å; S143-T145 PolarHBondContact O-N 2.9Å; S143-T145 VanDerWaalsContact OG-CB 3.28Å; S143-T145 WeakPolarHBondContact OG-CB 3.46Å; S143-T145 PolarHBondContact OG-N 3.48Å; S143-T145 PolarHBondContact OG-OG1 2.85Å; T145-L186 CarbonylContact C-O 3.48Å; T145-L186 WeakPolarHBondContact CA-O 3.3Å; T145-L186 WeakPolarHBondContact CG2-O 3.11Å
146L94.6Very high92.7Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-130.1148.9169.564.9127.1000110.3V5 P137 F138 I139 L148 D185 L186 P236 I238V5-L146 HydrophobicContact CG2-CD2 4.43Å; P137-L146 HydrophobicContact CB-CD1 4.1Å; F138-L146 CarbonylContact O-C 3.52Å; F138-L146 VanDerWaalsContact O-CA 3.22Å; F138-L146 WeakPolarHBondContact O-CA 3.49Å; F138-L146 WeakPolarHBondContact O-CB 3.46Å; I139-L146 HydrophobicContact CG1-CB 4.33Å; L146-L148 HydrophobicContact CD1-CB 4.03Å; L146-L148 HydrophobicContact CD1-CD1 4.31Å; L146-D185 WeakPolarHBondContact O-CA 3Å; L146-L186 PolarHBondContact N-O 2.79Å; L146-L186 PolarHBondContact O-N 2.82Å; L146-P236 HydrophobicContact CD1-CB 3.93Å; L146-P236 HydrophobicContact CD1-CG 4.17Å; L146-P236 HydrophobicContact CD2-CB 3.53Å; L146-P236 HydrophobicContact CD2-CG 3.72Å; L146-P236 HydrophobicContact CG-CB 4.3Å; L146-P236 HydrophobicContact CG-CG 4.32Å; L146-I238 HydrophobicContact CD2-CD1 3.91Å; L146-I238 HydrophobicContact CD2-CG1 3.81Å
147Q95.3Very high92.3Very high76 Ų7649.6 Ų49.636%0.35526%0.262SS..EExtended strand (participates in β ladder)trans-89.2130.1162-176.9165.4103.800108.4F138 L140 T183 V184 D185F138-Q147 HydrophobicContact CB-CB 4.27Å; F138-Q147 HydrophobicContact CD1-CB 4.21Å; F138-Q147 PolarHBondContact N-O 2.91Å; F138-Q147 PolarHBondContact O-N 3.01Å; L140-Q147 HydrophobicContact CD1-CB 4.49Å; Q147-T183 HydrophobicContact CG-CG2 3.21Å; Q147-V184 CarbonylContact C-O 3.54Å; Q147-V184 WeakPolarHBondContact CA-O 3.47Å; Q147-D185 VanDerWaalsContact CB-OD1 3.27Å; Q147-D185 WeakPolarHBondContact CB-OD1 3.38Å; Q147-D185 VanDerWaalsContact CG-OD1 3.29Å; Q147-D185 WeakPolarHBondContact CG-OD1 3.18Å; Q147-D185 PolarHBondContact NE2-OD1 2.83Å
148L95.5Very high92.1Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-115.1107.7178.1-172.867.3000108.8L7 L135 P137 L146 T183 V184 L186 I234L7-L148 HydrophobicContact CD1-CD1 4.44Å; L7-L148 HydrophobicContact CD2-CD1 4.28Å; L135-L148 HydrophobicContact CB-CD1 4.23Å; L135-L148 HydrophobicContact CD2-CD2 4.49Å; P137-L148 HydrophobicContact CB-CD1 4.25Å; L146-L148 HydrophobicContact CD1-CB 4.03Å; L146-L148 HydrophobicContact CD1-CD1 4.31Å; L148-T183 WeakPolarHBondContact O-CA 3.35Å; L148-V184 HydrophobicContact CB-CG2 4.13Å; L148-V184 PolarHBondContact N-O 2.84Å; L148-V184 PolarHBondContact O-N 3.33Å; L148-L186 HydrophobicContact CB-CD1 4.27Å; L148-L186 HydrophobicContact CD2-CD1 4.05Å; L148-I234 HydrophobicContact CD2-CB 4.39Å; L148-I234 HydrophobicContact CD2-CD1 4.23Å; L148-I234 HydrophobicContact CD2-CG2 3.77Å
149L95.6Very high91.8Very high76 Ų7651 Ų5140%0.39828%0.277SS..EExtended strand (participates in β ladder)trans-82.2129165.517368.9000108L136 T183L136-L149 HydrophobicContact CB-CB 4.26Å; L136-L149 HydrophobicContact CD2-CD2 4.19Å; L136-L149 PolarHBondContact N-O 2.98Å; L136-L149 PolarHBondContact O-N 2.76Å; L149-T183 WeakPolarHBondContact CD1-OG1 3.47Å
150Y93Very high91.7Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-129.1140.9174.560.9-94.5000111.2V55 T134 L135 M152 I180 N181 Q182 V184 I194V55-Y150 WeakPolarHBondContact CG2-OH 3.29Å; T134-Y150 WeakPolarHBondContact O-CA 3.37Å; L135-Y150 VanDerWaalsContact CD2-CB 3.47Å; Y150-M152 HydrophobicContact CD2-CE 3.68Å; Y150-M152 HydrophobicContact CD2-CG 4.38Å; Y150-M152 HydrophobicContact CD2-SD 4.39Å; Y150-M152 HydrophobicContact CE2-CE 4.07Å; Y150-M152 HydrophobicContact CE2-SD 4.47Å; Y150-M152 HydrophobicContact CG-CE 4.42Å; Y150-I180 HydrophobicContact CE2-CG2 4.14Å; Y150-N181 WeakPolarHBondContact O-CA 3.09Å; Y150-Q182 WeakPolarHBondContact CD1-O 3.41Å; Y150-Q182 HydrophobicContact CE1-CB 3.95Å; Y150-Q182 HydrophobicContact CE2-CB 3.74Å; Y150-Q182 HydrophobicContact CE2-CG 4.49Å; Y150-Q182 VanDerWaalsContact CZ-CB 3.41Å; Y150-Q182 PolarHBondContact N-O 3.08Å; Y150-Q182 PolarHBondContact O-N 3.14Å; Y150-Q182 VanDerWaalsContact O-N 3.08Å; Y150-Q182 VanDerWaalsContact OH-CB 3.29Å; Y150-Q182 WeakPolarHBondContact OH-CB 3.4Å; Y150-Q182 PolarHBondContact OH-NE2 3.28Å; Y150-V184 HydrophobicContact CD1-CG2 4.36Å; Y150-V184 HydrophobicContact CE1-CG1 3.99Å; Y150-V184 HydrophobicContact CE1-CG2 3.98Å; Y150-I194 HydrophobicContact CD1-CD1 4.11Å; Y150-I194 HydrophobicContact CD2-CD1 3.98Å; Y150-I194 HydrophobicContact CE1-CD1 3.76Å; Y150-I194 HydrophobicContact CE1-CG1 4.5Å; Y150-I194 HydrophobicContact CE2-CD1 3.6Å; Y150-I194 HydrophobicContact CE2-CG1 4.31Å; Y150-I194 HydrophobicContact CE2-CG2 4.27Å; Y150-I194 HydrophobicContact CG-CD1 4.19Å; Y150-I194 VanDerWaalsContact CZ-CD1 3.46Å
151S94.2Very high91.6Very high44 Ų4455.9 Ų55.931%0.30830%0.299SS..EExtended strand (participates in β ladder)trans-128.7119.9173.6177.70000107.3M133 T134 N181M133-S151 CarbonylContact C-O 3.48Å; M133-S151 WeakPolarHBondContact CA-O 3.46Å; T134-S151 PolarHBondContact N-O 2.62Å; T134-S151 PolarHBondContact O-N 3Å; S151-N181 WeakPolarHBondContact CA-OD1 3.33Å; S151-N181 WeakPolarHBondContact CB-OD1 3.39Å; S151-N181 PolarHBondContact OG-OD1 2.72Å
152M92Very high91.7Very high0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-133.4139.8-177.748.5178.565.900110.1F131 N132 M133 Y150 T179 I180 I194 F197 V232F131-M152 HydrophobicContact CE2-CB 4.21Å; F131-M152 HydrophobicContact CZ-CB 4.27Å; N132-M152 CarbonylContact O-C 3.6Å; N132-M152 VanDerWaalsContact O-CA 3.27Å; N132-M152 WeakPolarHBondContact O-CA 3.43Å; M133-M152 HydrophobicContact CB-CB 4.14Å; M133-M152 HydrophobicContact CG-CB 4.03Å; M133-M152 HydrophobicContact SD-CE 3.77Å; Y150-M152 HydrophobicContact CD2-CE 3.68Å; Y150-M152 HydrophobicContact CD2-CG 4.38Å; Y150-M152 HydrophobicContact CD2-SD 4.39Å; Y150-M152 HydrophobicContact CE2-CE 4.07Å; Y150-M152 HydrophobicContact CE2-SD 4.47Å; Y150-M152 HydrophobicContact CG-CE 4.42Å; M152-T179 CarbonylContact O-C 3.59Å; M152-T179 WeakPolarHBondContact O-CA 3.29Å; M152-I180 HydrophobicContact CG-CB 3.85Å; M152-I180 WeakPolarHBondContact CG-O 3.36Å; M152-I180 PolarHBondContact N-O 2.79Å; M152-I180 PolarHBondContact O-N 2.85Å; M152-I180 HydrophobicContact SD-CB 4.27Å; M152-I194 HydrophobicContact CE-CB 4.46Å; M152-I194 HydrophobicContact CE-CD1 3.66Å; M152-I194 HydrophobicContact CE-CG2 4.18Å; M152-I194 HydrophobicContact SD-CG2 3.9Å; M152-F197 HydrophobicContact CB-CE2 4.42Å; M152-F197 HydrophobicContact CB-CZ 4.25Å; M152-F197 HydrophobicContact CG-CE2 3.92Å; M152-F197 HydrophobicContact CG-CZ 3.77Å; M152-F197 HydrophobicContact SD-CE2 3.47Å; M152-F197 WeakPolarHBondContact SD-CE2 3.43Å; M152-F197 HydrophobicContact SD-CZ 3.94Å; M152-V232 HydrophobicContact CE-CB 4.32Å; M152-V232 HydrophobicContact CE-CG1 4.25Å; M152-V232 HydrophobicContact CE-CG2 4.33Å; M152-V232 HydrophobicContact SD-CG2 4.49Å
153S91.5Very high91.7Very high14 Ų1455.7 Ų55.710%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-136.8148.3169.748.70000112.5F131 N132 K178 T179F131-S153 WeakPolarHBondContact CA-O 3.47Å; N132-S153 PolarHBondContact N-O 2.94Å; N132-S153 PolarHBondContact ND2-OG 3.48Å; N132-S153 PolarHBondContact O-N 2.79Å; N132-S153 PolarHBondContact OD1-O 3.25Å; N132-S153 PolarHBondContact OD1-OG 2.76Å; S153-K178 CarbonylContact C-O 3.59Å; S153-K178 WeakPolarHBondContact CA-O 3.34Å; S153-K178 VanDerWaalsContact CB-O 3.26Å; S153-K178 WeakPolarHBondContact CB-O 3.5Å; S153-T179 WeakPolarHBondContact CB-OG1 3.26Å
154L90.3Very high91.6Very high20 Ų2059.3 Ų59.311%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-125.7123.9176.7179.670.8000108.3G130 F131 K178 F197 L230G130-L154 CarbonylContact O-C 3.54Å; G130-L154 WeakPolarHBondContact O-CA 3.44Å; F131-L154 HydrophobicContact CB-CD1 4.01Å; F131-L154 HydrophobicContact CD2-CD1 4.42Å; L154-K178 PolarHBondContact N-O 2.77Å; L154-K178 PolarHBondContact O-N 2.63Å; L154-F197 HydrophobicContact CB-CD1 3.89Å; L154-F197 HydrophobicContact CB-CE1 4.16Å; L154-F197 HydrophobicContact CB-CG 4.25Å; L154-F197 HydrophobicContact CD2-CB 3.85Å; L154-F197 HydrophobicContact CD2-CD1 4.44Å; L154-F197 HydrophobicContact CD2-CG 4.26Å; L154-L230 HydrophobicContact CD1-CD1 3.91Å; L154-L230 HydrophobicContact CD2-CD1 3.57Å; L154-L230 HydrophobicContact CD2-CG 4.37Å; L154-L230 HydrophobicContact CG-CD1 4.3Å
155S90.7Very high91.1Very high20 Ų2057.9 Ų57.914%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-105.3135170.1-59.80000110.3G130 D176 L177G130-S155 PolarHBondContact N-O 2.76Å; G130-S155 PolarHBondContact O-N 2.94Å; S155-D176 VanDerWaalsContact CA-O 3.3Å; S155-D176 WeakPolarHBondContact CA-O 3.26Å; S155-L177 WeakPolarHBondContact OG-CD1 3.4Å
156D87.4Confident90.2Very high27 Ų2760.6 Ų60.614%0.14433%0.331CS..PPolyproline II helixtrans-68.9167.3168.7-76.34.2000110.5T129 D176 Q199T129-D156 WeakPolarHBondContact CB-O 3.39Å; T129-D156 WeakPolarHBondContact CG2-O 3.35Å; D156-D176 HydrophobicContact CB-CB 4.43Å; D156-D176 PolarHBondContact N-O 2.88Å; D156-Q199 PolarHBondContact OD1-NE2 3.02Å; D156-Q199 PolarHBondContact OD2-NE2 2.87Å
157K88.3Confident89.2Confident174 Ų17463.6 Ų63.676%0.75736%0.362SS*.PPolyproline II helixtrans-63.4140.4172.3-71.6-174.7179.1-179.10109.6V159K157-V159 PolarHBondContact O-N 2.81Å
158P91.4Very high88.5Confident15 Ų1561.6 Ų61.610%0.09736%0.356CS..PPolyproline II helixtrans-66.1134.2-178.128.6-34.4000111.3Q102 I127 T129 I160 P173 N174 V175Q102-P158 VanDerWaalsContact OE1-CG 3.3Å; I127-P158 HydrophobicContact CD1-CB 4.41Å; I127-P158 HydrophobicContact CG2-CB 4.29Å; I127-P158 HydrophobicContact CG2-CG 4.06Å; T129-P158 HydrophobicContact CG2-CG 4.42Å; P158-I160 HydrophobicContact CB-CD1 3.95Å; P158-I160 HydrophobicContact CG-CD1 4.32Å; P158-P173 HydrophobicContact CB-CB 4.19Å; P158-N174 CarbonylContact C-O 3.58Å; P158-N174 WeakPolarHBondContact CA-O 3.07Å; P158-V175 HydrophobicContact CB-CG2 3.59Å
159V91.7Very high88Confident94 Ų9467.2 Ų67.257%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-88113.4164.8-179.10000106.9K157 N174K157-V159 PolarHBondContact O-N 2.81Å; V159-N174 PolarHBondContact N-O 3.43Å; V159-N174 PolarHBondContact O-N 2.85Å
160I92.1Very high87.6Confident39 Ų3964.6 Ų64.620%0.237%0.37CS..EExtended strand (participates in β ladder)trans-92.8115-179.3-52.3-58.5000109.4P158 Q171 P173P158-I160 HydrophobicContact CB-CD1 3.95Å; P158-I160 HydrophobicContact CG-CD1 4.32Å; I160-Q171 HydrophobicContact CG2-CB 3.61Å; I160-Q171 HydrophobicContact CG2-CG 3.76Å; I160-P173 HydrophobicContact CD1-CB 3.49Å; I160-P173 VanDerWaalsContact CD1-CB 3.49Å
161E91.6Very high87.6Confident126 Ų12667.2 Ų67.259%0.58938%0.383SS*.EExtended strand (participates in β ladder)trans-93.8133.6170.1-64.4-174.9173.400109.7Q171 L172E161-Q171 CarbonylContact O-C 3.6Å; E161-Q171 WeakPolarHBondContact O-CA 3.27Å; E161-L172 PolarHBondContact N-O 2.85Å; E161-L172 PolarHBondContact O-N 3.4Å
162N91.2Very high87.5Confident109 Ų10969.7 Ų69.758%0.58339%0.392SS*.EExtended strand (participates in β ladder)trans-94.8124.3175.9-58.4-78.6000108.6A170 Q171N162-A170 CarbonylContact C-O 3.59Å; N162-A170 WeakPolarHBondContact CA-O 3.18Å; N162-Q171 VanDerWaalsContact OD1-CG 3.28Å; N162-Q171 WeakPolarHBondContact OD1-CG 3.3Å; N162-Q171 PolarHBondContact OD1-NE2 2.69Å
163Y86.4Confident87.6Confident158 Ų15871.4 Ų71.462%0.6240%0.403SS*.EExtended strand (participates in β ladder)trans-110129.3173.1-166.8-95000109.7K169 A170Y163-K169 CarbonylContact O-C 3.42Å; Y163-K169 WeakPolarHBondContact O-CA 3.35Å; Y163-A170 PolarHBondContact N-O 2.85Å; Y163-A170 PolarHBondContact O-N 2.83Å
164E86.4Confident87.6Confident110 Ų11075.2 Ų75.251%0.51442%0.422SS..EExtended strand (participates in β ladder)trans-114131.5-179.4-173.3170.4-178.900110.5S168 K169E164-S168 VanDerWaalsContact CA-O 3.3Å; E164-S168 WeakPolarHBondContact CA-O 3.38Å; E164-K169 HydrophobicContact CB-CG 4.13Å; E164-K169 HydrophobicContact CG-CG 3.97Å; E164-K169 WeakPolarHBondContact OE2-CE 3.48Å; E164-K169 IonicContact OE2-NZ 3.52Å
165S78.6Confident87.7Confident84 Ų8476.2 Ų76.259%0.58743%0.429SS*.EExtended strand (participates in β ladder)trans-147.5130.3172.3-172.90000109.7G167 S168S165-G167 VanDerWaalsContact C-N 3.25Å; S165-G167 PolarHBondContact O-N 2.83Å; S165-S168 PolarHBondContact N-O 2.82Å; S165-S168 WeakPolarHBondContact O-CB 3.14Å; S165-S168 PolarHBondContact O-N 3.39Å
166G75.8Confident87.7Confident86 Ų8680.1 Ų80.189%0.88745%0.448SS*.THydrogen-bonded Turntrans61.825.817700000115.3S168G166-S168 VanDerWaalsContact C-N 3.28Å
167G74.9Confident87.7Confident63 Ų6383.9 Ų83.965%0.64947%0.468SS*.THydrogen-bonded Turntrans82.8-0.6-175.200000114.7S165S165-G167 VanDerWaalsContact C-N 3.25Å; S165-G167 PolarHBondContact O-N 2.83Å
168S80.8Confident87.7Confident34 Ų3479 Ų7924%0.23845%0.447CS..EExtended strand (participates in β ladder)trans-99.8137.4175.1-71.60000110.9V108 E164 S165 G166V108-S168 WeakPolarHBondContact CG1-OG 3.36Å; E164-S168 VanDerWaalsContact CA-O 3.3Å; E164-S168 WeakPolarHBondContact CA-O 3.38Å; S165-S168 PolarHBondContact N-O 2.82Å; S165-S168 WeakPolarHBondContact O-CB 3.14Å; S165-S168 PolarHBondContact O-N 3.39Å; G166-S168 VanDerWaalsContact C-N 3.28Å
169K84.2Confident87.6Confident119 Ų11981.7 Ų81.752%0.51746%0.463SS..EExtended strand (participates in β ladder)trans-111.7121.2178.6-64.8-175.9177.1-171.40110.6V108 Y163 E164V108-K169 WeakPolarHBondContact CG2-O 3.4Å; Y163-K169 CarbonylContact O-C 3.42Å; Y163-K169 WeakPolarHBondContact O-CA 3.35Å; E164-K169 HydrophobicContact CB-CG 4.13Å; E164-K169 HydrophobicContact CG-CG 3.97Å; E164-K169 WeakPolarHBondContact OE2-CE 3.48Å; E164-K169 IonicContact OE2-NZ 3.52Å
170A87.9Confident87.3Confident21 Ų2178.8 Ų78.817%0.17444%0.444CS..EExtended strand (participates in β ladder)trans-105153.816900000110N162 Y163 L172N162-A170 CarbonylContact C-O 3.59Å; N162-A170 WeakPolarHBondContact CA-O 3.18Å; Y163-A170 PolarHBondContact N-O 2.85Å; Y163-A170 PolarHBondContact O-N 2.83Å; A170-L172 HydrophobicContact CB-CD1 4.18Å
171Q93.2Very high87.2Confident55 Ų5581.6 Ų81.626%0.25746%0.459SS..EExtended strand (participates in β ladder)trans-113.9123.5178.6-75.3-177-34.100109Y104 I105 I160 E161 N162 P173Y104-Q171 HydrophobicContact CD2-CB 4.13Å; Y104-Q171 WeakPolarHBondContact CD2-O 3.26Å; Y104-Q171 WeakPolarHBondContact CE2-O 2.83Å; I105-Q171 WeakPolarHBondContact O-CB 3.47Å; I105-Q171 PolarHBondContact O-N 2.89Å; I160-Q171 HydrophobicContact CG2-CB 3.61Å; I160-Q171 HydrophobicContact CG2-CG 3.76Å; E161-Q171 CarbonylContact O-C 3.6Å; E161-Q171 WeakPolarHBondContact O-CA 3.27Å; N162-Q171 VanDerWaalsContact OD1-CG 3.28Å; N162-Q171 WeakPolarHBondContact OD1-CG 3.3Å; N162-Q171 PolarHBondContact OD1-NE2 2.69Å; Q171-P173 WeakPolarHBondContact O-CD 3.36Å
172L90.9Very high87.1Confident95 Ų9579.6 Ų79.650%0.49745%0.45SS..EExtended strand (participates in β ladder)trans-110.9102.7179.9-8267.6000108.1E161 A170E161-L172 PolarHBondContact N-O 2.85Å; E161-L172 PolarHBondContact O-N 3.4Å; A170-L172 HydrophobicContact CB-CD1 4.18Å
173P93.7Very high87.1Confident36 Ų3677.7 Ų77.723%0.23444%0.442CS..EExtended strand (participates in β ladder)trans-72.9133.5174.728.2-32.9000111.2Y104 I127 P158 I160 Q171Y104-P173 HydrophobicContact CD1-CG 4.1Å; Y104-P173 HydrophobicContact CD2-CG 4.17Å; Y104-P173 HydrophobicContact CE1-CG 3.84Å; Y104-P173 HydrophobicContact CE2-CG 3.91Å; Y104-P173 HydrophobicContact CG-CG 4.25Å; I127-P173 HydrophobicContact CD1-CB 3.64Å; I127-P173 HydrophobicContact CD1-CG 3.88Å; I127-P173 HydrophobicContact CG2-CB 4.44Å; P158-P173 HydrophobicContact CB-CB 4.19Å; I160-P173 HydrophobicContact CD1-CB 3.49Å; I160-P173 VanDerWaalsContact CD1-CB 3.49Å; Q171-P173 WeakPolarHBondContact O-CD 3.36Å
174N93Very high87.4Confident95 Ų9571 Ų7151%0.50842%0.417SS..EExtended strand (participates in β ladder)trans-113.4133.2166.4-170-41.9000109.4P158 V159P158-N174 CarbonylContact C-O 3.58Å; P158-N174 WeakPolarHBondContact CA-O 3.07Å; V159-N174 PolarHBondContact N-O 3.43Å; V159-N174 PolarHBondContact O-N 2.85Å
175V91.9Very high87.7Confident40 Ų4070 Ų7024%0.24242%0.416CS..  trans-137.1125.7-177175.80000109.8I127 T129 P158I127-V175 HydrophobicContact CD1-CG2 3.46Å; I127-V175 VanDerWaalsContact CD1-CG2 3.46Å; I127-V175 HydrophobicContact CG1-CG2 4.42Å; T129-V175 HydrophobicContact CG2-CB 4.46Å; T129-V175 HydrophobicContact CG2-CG1 3.87Å; T129-V175 HydrophobicContact CG2-CG2 3.66Å; P158-V175 HydrophobicContact CB-CG2 3.59Å
176D90Very high88.3Confident103 Ų10366 Ų6655%0.55139%0.388SS*.  trans-78129.9167.4-73.4-35.1000110.4S155 D156S155-D176 VanDerWaalsContact CA-O 3.3Å; S155-D176 WeakPolarHBondContact CA-O 3.26Å; D156-D176 HydrophobicContact CB-CB 4.43Å; D156-D176 PolarHBondContact N-O 2.88Å
177L88.1Confident89.2Confident106 Ų10667.8 Ų67.856%0.55537%0.371SS*.EExtended strand (participates in β ladder)trans-117.8130.5178.8-176.873.6000110.1S155S155-L177 WeakPolarHBondContact OG-CD1 3.4Å
178K87.4Confident90Very high71 Ų7166.5 Ų66.531%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-116.1133.9172.2-58.3168.7-159.9-96.20108S153 L154 F197 Q198S153-K178 CarbonylContact C-O 3.59Å; S153-K178 WeakPolarHBondContact CA-O 3.34Å; S153-K178 VanDerWaalsContact CB-O 3.26Å; S153-K178 WeakPolarHBondContact CB-O 3.5Å; L154-K178 PolarHBondContact N-O 2.77Å; L154-K178 PolarHBondContact O-N 2.63Å; K178-F197 HydrophobicContact CB-CD1 3.5Å; K178-F197 HydrophobicContact CB-CE1 3.68Å; K178-F197 HydrophobicContact CD-CD1 4.13Å; K178-F197 HydrophobicContact CG-CD1 4.46Å; K178-F197 WeakPolarHBondContact O-CE1 3.39Å; K178-Q198 VanDerWaalsContact CE-O 3.29Å; K178-Q198 WeakPolarHBondContact CE-O 3.4Å; K178-Q198 PolarHBondContact NZ-O 2.8Å
179T89.5Confident90.6Very high71 Ų7165.7 Ų65.744%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-134.5136.5-177.5-560000110.8M152 S153M152-T179 CarbonylContact O-C 3.59Å; M152-T179 WeakPolarHBondContact O-CA 3.29Å; S153-T179 WeakPolarHBondContact CB-OG1 3.26Å
180I86.6Confident90.9Very high33 Ų3361.1 Ų61.117%0.16933%0.33CS..EExtended strand (participates in β ladder)trans-128.9126.6174.8-56.8174.9000108.4Y150 M152 Q182 F197Y150-I180 HydrophobicContact CE2-CG2 4.14Å; M152-I180 HydrophobicContact CG-CB 3.85Å; M152-I180 WeakPolarHBondContact CG-O 3.36Å; M152-I180 PolarHBondContact N-O 2.79Å; M152-I180 PolarHBondContact O-N 2.85Å; M152-I180 HydrophobicContact SD-CB 4.27Å; I180-Q182 HydrophobicContact CG2-CG 4.28Å; I180-F197 HydrophobicContact CB-CZ 4.14Å; I180-F197 HydrophobicContact CD1-CD1 4.39Å; I180-F197 HydrophobicContact CD1-CD2 4.22Å; I180-F197 HydrophobicContact CD1-CE1 3.92Å; I180-F197 HydrophobicContact CD1-CE2 3.74Å; I180-F197 HydrophobicContact CD1-CZ 3.57Å; I180-F197 HydrophobicContact CG1-CE1 3.89Å; I180-F197 HydrophobicContact CG1-CE2 4.33Å; I180-F197 HydrophobicContact CG1-CZ 3.67Å
181N89.7Confident91Very high99 Ų9960.1 Ų60.153%0.52932%0.322SS..EExtended strand (participates in β ladder)trans-128.5118.9176-58.9-64.3000108.9Y150 S151Y150-N181 WeakPolarHBondContact O-CA 3.09Å; S151-N181 WeakPolarHBondContact CA-OD1 3.33Å; S151-N181 WeakPolarHBondContact CB-OD1 3.39Å; S151-N181 PolarHBondContact OG-OD1 2.72Å
182Q88.5Confident90.9Very high84 Ų8457.5 Ų57.539%0.39331%0.31SS..EExtended strand (participates in β ladder)trans-153.6165.8-178.8-71.6-173.777.600110.7V55 Y150 I180V55-Q182 VanDerWaalsContact CG2-NE2 3.32Å; Y150-Q182 WeakPolarHBondContact CD1-O 3.41Å; Y150-Q182 HydrophobicContact CE1-CB 3.95Å; Y150-Q182 HydrophobicContact CE2-CB 3.74Å; Y150-Q182 HydrophobicContact CE2-CG 4.49Å; Y150-Q182 VanDerWaalsContact CZ-CB 3.41Å; Y150-Q182 PolarHBondContact N-O 3.08Å; Y150-Q182 PolarHBondContact O-N 3.14Å; Y150-Q182 VanDerWaalsContact O-N 3.08Å; Y150-Q182 VanDerWaalsContact OH-CB 3.29Å; Y150-Q182 WeakPolarHBondContact OH-CB 3.4Å; Y150-Q182 PolarHBondContact OH-NE2 3.28Å; I180-Q182 HydrophobicContact CG2-CG 4.28Å
183T92.3Very high90.8Very high69 Ų6953.1 Ų53.142%0.42329%0.287SS..EExtended strand (participates in β ladder)trans-126.7135.8178.1-56.70000108.8Q147 L148 L149Q147-T183 HydrophobicContact CG-CG2 3.21Å; L148-T183 WeakPolarHBondContact O-CA 3.35Å; L149-T183 WeakPolarHBondContact CD1-OG1 3.47Å
184V91.4Very high90.5Very high16 Ų1651.5 Ų51.510%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-134.5144.7178.1-67.50000111V55 Q147 L148 Y150 L186 V192V55-V184 HydrophobicContact CG1-CG1 3.85Å; Q147-V184 CarbonylContact C-O 3.54Å; Q147-V184 WeakPolarHBondContact CA-O 3.47Å; L148-V184 HydrophobicContact CB-CG2 4.13Å; L148-V184 PolarHBondContact N-O 2.84Å; L148-V184 PolarHBondContact O-N 3.33Å; Y150-V184 HydrophobicContact CD1-CG2 4.36Å; Y150-V184 HydrophobicContact CE1-CG1 3.99Å; Y150-V184 HydrophobicContact CE1-CG2 3.98Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; V184-L186 HydrophobicContact CG2-CG 4.02Å; V184-V192 HydrophobicContact CG1-CG2 4.41Å; V184-V192 HydrophobicContact CG2-CB 4.45Å; V184-V192 HydrophobicContact CG2-CG1 4.42Å; V184-V192 HydrophobicContact CG2-CG2 4.23Å
185D93Very high89.9Confident90 Ų9047.3 Ų47.348%0.48125%0.254SS..EExtended strand (participates in β ladder)trans-94.1128.4171.2-64.7-29000109.6I57 L146 Q147I57-D185 WeakPolarHBondContact CD1-O 3.49Å; L146-D185 WeakPolarHBondContact O-CA 3Å; Q147-D185 VanDerWaalsContact CB-OD1 3.27Å; Q147-D185 WeakPolarHBondContact CB-OD1 3.38Å; Q147-D185 VanDerWaalsContact CG-OD1 3.29Å; Q147-D185 WeakPolarHBondContact CG-OD1 3.18Å; Q147-D185 PolarHBondContact NE2-OD1 2.83Å
186L92.6Very high88.9Confident0 Ų046.8 Ų46.80%026%0.257CS..EExtended strand (participates in β ladder)trans-133.1134.5-175-65.3168.6000110.5I57 T145 L146 L148 V184 Q190 V192 P236I57-L186 HydrophobicContact CB-CD2 4.29Å; I57-L186 HydrophobicContact CD1-CD2 3.78Å; I57-L186 HydrophobicContact CG1-CD2 3.8Å; I57-L186 HydrophobicContact CG2-CD2 3.58Å; T145-L186 CarbonylContact C-O 3.48Å; T145-L186 WeakPolarHBondContact CA-O 3.3Å; T145-L186 WeakPolarHBondContact CG2-O 3.11Å; L146-L186 PolarHBondContact N-O 2.79Å; L146-L186 PolarHBondContact O-N 2.82Å; L148-L186 HydrophobicContact CB-CD1 4.27Å; L148-L186 HydrophobicContact CD2-CD1 4.05Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; V184-L186 HydrophobicContact CG2-CG 4.02Å; L186-Q190 HydrophobicContact CD2-CB 4.26Å; L186-V192 HydrophobicContact CD1-CB 3.97Å; L186-V192 HydrophobicContact CD1-CG1 3.76Å; L186-V192 HydrophobicContact CD2-CB 3.93Å; L186-P236 HydrophobicContact CB-CG 4.04Å; L186-P236 HydrophobicContact CD1-CG 3.93Å
187K92.9Very high88Confident123 Ų12342 Ų4254%0.53523%0.232SC..EExtended strand (participates in β ladder)trans-75.2152.7162.8-60.4-179.7-179179.30109.9Q144 G189 Q190Q144-K187 CarbonylContact O-C 3.57Å; Q144-K187 WeakPolarHBondContact O-CA 3.39Å; K187-G189 PolarHBondContact O-N 2.8Å; K187-Q190 HydrophobicContact CB-CG 3.97Å; K187-Q190 WeakPolarHBondContact O-CB 3.26Å; K187-Q190 PolarHBondContact O-N 3.28Å
188S93.7Very high87.1Confident36 Ų3639 Ų3925%0.25222%0.215SC..THydrogen-bonded Turntrans-53.2128.3172.7-166.80000110.1Q144 Q190 I238Q144-S188 PolarHBondContact O-N 3.49Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.04Å; S188-I238 PolarHBondContact OG-N 3.14Å
189G91.3Very high86.2Confident18 Ų1839.7 Ų39.719%0.18622%0.219CC..THydrogen-bonded Turntrans82.1-6.8-177.500000115.5G60 K187 P236G60-G189 CarbonylContact C-O 3.54Å; G60-G189 WeakPolarHBondContact CA-O 3.2Å; G60-G189 PolarHBondContact N-O 2.89Å; K187-G189 PolarHBondContact O-N 2.8Å; G189-P236 PolarHBondContact N-O 2.86Å
190Q91.1Very high85.2Confident23 Ų2340.2 Ų40.211%0.10723%0.226CC..PPolyproline II helixtrans-72.2143.1168.7-72.3-176.1-36.600110.1I57 V58 N59 L186 K187 S188 P236I57-Q190 HydrophobicContact CG2-CB 4.05Å; I57-Q190 HydrophobicContact CG2-CG 4.4Å; V58-Q190 WeakPolarHBondContact O-CA 3.11Å; N59-Q190 PolarHBondContact OD1-NE2 2.98Å; L186-Q190 HydrophobicContact CD2-CB 4.26Å; K187-Q190 HydrophobicContact CB-CG 3.97Å; K187-Q190 WeakPolarHBondContact O-CB 3.26Å; K187-Q190 PolarHBondContact O-N 3.28Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.04Å; Q190-P236 WeakPolarHBondContact O-CD 3.46Å
191T90.8Very high84.1Confident0 Ų040.2 Ų40.20%023%0.234CC..EExtended strand (participates in β ladder)trans-102.7125.9173.8-49.90000109.4I57 V58 G60 L62 L233 I234 T235I57-T191 WeakPolarHBondContact CA-O 3.27Å; V58-T191 PolarHBondContact N-O 3.33Å; V58-T191 PolarHBondContact O-N 3.45Å; G60-T191 PolarHBondContact O-N 3.31Å; G60-T191 PolarHBondContact O-OG1 2.81Å; L62-T191 HydrophobicContact CB-CG2 3.99Å; L62-T191 HydrophobicContact CD1-CG2 4.42Å; L62-T191 HydrophobicContact CG-CG2 4.5Å; L62-T191 PolarHBondContact N-OG1 2.91Å; T191-L233 HydrophobicContact CG2-CB 4.04Å; T191-I234 WeakPolarHBondContact CA-O 3.33Å; T191-T235 WeakPolarHBondContact CG2-OG1 3.49Å; T191-T235 PolarHBondContact OG1-OG1 2.83Å
192V91.1Very high82.6Confident0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-87.3134.9162.263.30000109.5V55 S56 I57 V184 L186 I194 L233 I234V55-V192 HydrophobicContact CG1-CG2 3.49Å; V55-V192 VanDerWaalsContact CG1-CG2 3.49Å; S56-V192 CarbonylContact O-C 3.54Å; S56-V192 WeakPolarHBondContact O-CA 3.39Å; I57-V192 HydrophobicContact CG1-CG2 4.39Å; V184-V192 HydrophobicContact CG1-CG2 4.41Å; V184-V192 HydrophobicContact CG2-CB 4.45Å; V184-V192 HydrophobicContact CG2-CG1 4.42Å; V184-V192 HydrophobicContact CG2-CG2 4.23Å; L186-V192 HydrophobicContact CD1-CB 3.97Å; L186-V192 HydrophobicContact CD1-CG1 3.76Å; L186-V192 HydrophobicContact CD2-CB 3.93Å; V192-I194 HydrophobicContact CG1-CD1 4.31Å; V192-I194 HydrophobicContact CG2-CD1 4.37Å; V192-I194 HydrophobicContact CG2-CG1 3.94Å; V192-L233 CarbonylContact O-C 3.55Å; V192-L233 WeakPolarHBondContact O-CA 3.19Å; V192-I234 HydrophobicContact CG1-CB 3.66Å; V192-I234 HydrophobicContact CG1-CD1 4.22Å; V192-I234 HydrophobicContact CG1-CG1 4.25Å; V192-I234 PolarHBondContact N-O 2.79Å; V192-I234 PolarHBondContact O-N 2.87Å
193I89Confident81.1Confident2 Ų249.9 Ų49.91%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-111123.5176.6-49.2179000106.6W26 F30 V55 S56 V58 L62 F68 V231 L233W26-I193 HydrophobicContact CH2-CG2 3.62Å; W26-I193 HydrophobicContact CZ2-CG2 4.14Å; W26-I193 HydrophobicContact CZ3-CG2 4.06Å; F30-I193 HydrophobicContact CE1-CD1 4.27Å; F30-I193 HydrophobicContact CE2-CD1 4.28Å; F30-I193 HydrophobicContact CZ-CD1 3.43Å; F30-I193 VanDerWaalsContact CZ-CD1 3.43Å; V55-I193 CarbonylContact C-O 3.48Å; V55-I193 VanDerWaalsContact CA-O 3.29Å; V55-I193 WeakPolarHBondContact CA-O 3.42Å; S56-I193 PolarHBondContact N-O 2.81Å; S56-I193 PolarHBondContact O-N 3.3Å; V58-I193 HydrophobicContact CG2-CD1 3.82Å; L62-I193 HydrophobicContact CD1-CD1 3.38Å; L62-I193 HydrophobicContact CD1-CG1 3.87Å; F68-I193 HydrophobicContact CZ-CD1 4.15Å; I193-V231 HydrophobicContact CG2-CG1 3.79Å; I193-L233 HydrophobicContact CB-CD2 4.08Å; I193-L233 HydrophobicContact CD1-CD2 4.46Å; I193-L233 HydrophobicContact CG1-CD2 3.77Å; I193-L233 HydrophobicContact CG2-CD2 3.81Å
194I87.1Confident79.5Confident2 Ų250.3 Ų50.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-123.3123.7-178.2-55.6159.8000107.1V55 Y150 M152 V192 V231 V232 I234V55-I194 HydrophobicContact CG1-CG1 4.39Å; Y150-I194 HydrophobicContact CD1-CD1 4.11Å; Y150-I194 HydrophobicContact CD2-CD1 3.98Å; Y150-I194 HydrophobicContact CE1-CD1 3.76Å; Y150-I194 HydrophobicContact CE1-CG1 4.5Å; Y150-I194 HydrophobicContact CE2-CD1 3.6Å; Y150-I194 HydrophobicContact CE2-CG1 4.31Å; Y150-I194 HydrophobicContact CE2-CG2 4.27Å; Y150-I194 HydrophobicContact CG-CD1 4.19Å; Y150-I194 VanDerWaalsContact CZ-CD1 3.46Å; M152-I194 HydrophobicContact CE-CB 4.46Å; M152-I194 HydrophobicContact CE-CD1 3.66Å; M152-I194 HydrophobicContact CE-CG2 4.18Å; M152-I194 HydrophobicContact SD-CG2 3.9Å; V192-I194 HydrophobicContact CG1-CD1 4.31Å; V192-I194 HydrophobicContact CG2-CD1 4.37Å; V192-I194 HydrophobicContact CG2-CG1 3.94Å; I194-V231 CarbonylContact O-C 3.13Å; I194-V231 WeakPolarHBondContact O-CA 3.42Å; I194-V232 HydrophobicContact CB-CB 4.38Å; I194-V232 PolarHBondContact N-O 3.02Å; I194-V232 PolarHBondContact O-N 2.93Å; I194-I234 HydrophobicContact CD1-CD1 3.82Å
195S80.1Confident78.2Confident7 Ų751.4 Ų51.45%0.04928%0.28CS..EExtended strand (participates in β ladder)trans-127152.6173.359.20000109.1G53 G54G53-S195 CarbonylContact C-O 3.54Å; G53-S195 WeakPolarHBondContact CA-O 3.47Å; G54-S195 PolarHBondContact N-O 3.18Å; G54-S195 PolarHBondContact N-OG 3.15Å; G54-S195 PolarHBondContact O-N 3.19Å; G54-S195 PolarHBondContact O-OG 3.28Å
196G71.7Confident77.2Confident30 Ų3054.2 Ų54.231%0.30929%0.288SS..EExtended strand (participates in β ladder)trans157.7-12.7178.600000115.1T52 Q198T52-G196 WeakPolarHBondContact O-CA 3.36Å; G196-Q198 PolarHBondContact O-N 3.44Å
197F70Confident76.1Confident3 Ų360.6 Ų60.61%0.01332%0.317CS..EExtended strand (participates in β ladder)trans-91.3105172.3-55.5-71.4000109.4F131 M152 L154 K178 I180 I229 L230F131-F197 HydrophobicContact CE2-CE2 4.44Å; M152-F197 HydrophobicContact CB-CE2 4.42Å; M152-F197 HydrophobicContact CB-CZ 4.25Å; M152-F197 HydrophobicContact CG-CE2 3.92Å; M152-F197 HydrophobicContact CG-CZ 3.77Å; M152-F197 HydrophobicContact SD-CE2 3.47Å; M152-F197 WeakPolarHBondContact SD-CE2 3.43Å; M152-F197 HydrophobicContact SD-CZ 3.94Å; L154-F197 HydrophobicContact CB-CD1 3.89Å; L154-F197 HydrophobicContact CB-CE1 4.16Å; L154-F197 HydrophobicContact CB-CG 4.25Å; L154-F197 HydrophobicContact CD2-CB 3.85Å; L154-F197 HydrophobicContact CD2-CD1 4.44Å; L154-F197 HydrophobicContact CD2-CG 4.26Å; K178-F197 HydrophobicContact CB-CD1 3.5Å; K178-F197 HydrophobicContact CB-CE1 3.68Å; K178-F197 HydrophobicContact CD-CD1 4.13Å; K178-F197 HydrophobicContact CG-CD1 4.46Å; K178-F197 WeakPolarHBondContact O-CE1 3.39Å; I180-F197 HydrophobicContact CB-CZ 4.14Å; I180-F197 HydrophobicContact CD1-CD1 4.39Å; I180-F197 HydrophobicContact CD1-CD2 4.22Å; I180-F197 HydrophobicContact CD1-CE1 3.92Å; I180-F197 HydrophobicContact CD1-CE2 3.74Å; I180-F197 HydrophobicContact CD1-CZ 3.57Å; I180-F197 HydrophobicContact CG1-CE1 3.89Å; I180-F197 HydrophobicContact CG1-CE2 4.33Å; I180-F197 HydrophobicContact CG1-CZ 3.67Å; F197-I229 CarbonylContact O-C 3.48Å; F197-I229 WeakPolarHBondContact O-CA 3.48Å; F197-L230 HydrophobicContact CB-CB 4.11Å; F197-L230 HydrophobicContact CB-CD1 4.4Å; F197-L230 HydrophobicContact CB-CG 4.39Å; F197-L230 HydrophobicContact CD2-CB 4.48Å; F197-L230 PolarHBondContact O-N 2.86Å
198Q69.8Low74.6Confident43 Ų4356.1 Ų56.120%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-109.3131.3169-176.2177.3-58.200109.5K178 G196 T228 I229K178-Q198 VanDerWaalsContact CE-O 3.29Å; K178-Q198 WeakPolarHBondContact CE-O 3.4Å; K178-Q198 PolarHBondContact NZ-O 2.8Å; G196-Q198 PolarHBondContact O-N 3.44Å; Q198-T228 CarbonylContact C-O 3.57Å; Q198-T228 WeakPolarHBondContact CA-O 2.97Å; Q198-I229 HydrophobicContact CG-CG1 4.25Å
199Q67.6Low73.4Confident84 Ų8459.3 Ų59.339%0.39332%0.324SS..EExtended strand (participates in β ladder)trans-113122.3168.3-171.2177.98.500108.1D156 T228D156-Q199 PolarHBondContact OD1-NE2 3.02Å; D156-Q199 PolarHBondContact OD2-NE2 2.87Å; Q199-T228 PolarHBondContact N-O 3.4Å; Q199-T228 PolarHBondContact O-N 3.08Å
200S68.8Low72.5Confident83 Ų8362.1 Ų62.158%0.5835%0.353SS*.EExtended strand (participates in β ladder)trans-101.8125.1178.459.10000110.4D227S200-D227 VanDerWaalsContact CA-OD1 3.26Å; S200-D227 WeakPolarHBondContact CA-OD1 3.33Å; S200-D227 WeakPolarHBondContact CB-OD1 3.46Å
201G63.3Low71.5Confident33 Ų3365.4 Ų65.434%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-113.4114.6172.600000110.5D226G201-D226 PolarHBondContact N-O 2.83Å; G201-D226 PolarHBondContact O-N 3.26Å
202R58.3Low70.3Confident198 Ų19867.5 Ų67.575%0.74739%0.389SS*.EExtended strand (participates in β ladder)trans-101.4118.4173.5-170.4177.6-65.5137.10.5110
203R58.4Low69.4Low188 Ų18870.3 Ų70.371%0.70942%0.418SS*.EExtended strand (participates in β ladder)trans-110.4118.8169.9-67.5-179.3179.6169.61.4108.5S223 E224R203-S223 CarbonylContact O-C 3.58Å; R203-S223 WeakPolarHBondContact O-CA 3.43Å; R203-E224 HydrophobicContact CB-CB 4.45Å; R203-E224 PolarHBondContact N-O 2.82Å; R203-E224 PolarHBondContact O-N 2.91Å; R203-E224 VanDerWaalsContact O-O 3.14Å
204S57.3Low68.9Low78 Ų7875.8 Ų75.855%0.54544%0.441SS..EExtended strand (participates in β ladder)trans-116.5117.1174-172.50000109.5
205G64.5Low68.2Low39 Ų3982.5 Ų82.540%0.40247%0.471SS..EExtended strand (participates in β ladder)trans-108.9146.2170.500000110.4N222G205-N222 PolarHBondContact N-O 2.85Å; G205-N222 PolarHBondContact O-N 3.35Å; G205-N222 VanDerWaalsContact O-O 3.13Å
206K71.7Confident68Low149 Ų14985.2 Ų85.265%0.64850%0.5SS*.EExtended strand (participates in β ladder)trans-115.5129.3172.1-58.1-174.7179.2176.60108.1P212 I221K206-P212 HydrophobicContact CB-CB 3.58Å; K206-P212 HydrophobicContact CB-CG 3.96Å; K206-I221 HydrophobicContact CG-CG1 4.33Å
207Q69.2Low68.5Low133 Ų13388.7 Ų88.762%0.62151%0.511SS*.EExtended strand (participates in β ladder)trans-124.1149.6178-173.6169.413.500110P212 G219 G220Q207-P212 WeakPolarHBondContact O-CA 3.42Å; Q207-G219 CarbonylContact O-C 3.59Å; Q207-G219 VanDerWaalsContact O-CA 3.26Å; Q207-G219 WeakPolarHBondContact O-CA 3.28Å; Q207-G220 PolarHBondContact N-O 2.76Å; Q207-G220 PolarHBondContact O-N 3.45Å; Q207-G220 VanDerWaalsContact O-O 3.12Å
208G61.4Low68.5Low30 Ų3091.3 Ų91.331%0.30954%0.539SS..  trans168.315617200000112.1
209V68.7Low68.9Low102 Ų10289.7 Ų89.762%0.61853%0.533SS*.SBendtrans-80.9122.8170.2-176.50000108.5T211 L217V209-T211 PolarHBondContact O-N 3.45Å; V209-T211 VanDerWaalsContact O-N 3.1Å; V209-L217 HydrophobicContact CB-CB 4.13Å
210G73.4Confident69.1Low78 Ų7886.4 Ų86.480%0.80452%0.522SS*.SBendtrans82-73.9-177.500000113
211T69.9Low69.3Low92 Ų9287.3 Ų87.356%0.56452%0.519SS*.  trans-134.2129.2178.4-52.60000110.3V209 G213 F214V209-T211 PolarHBondContact O-N 3.45Å; V209-T211 VanDerWaalsContact O-N 3.1Å; T211-G213 PolarHBondContact O-N 2.86Å; T211-F214 PolarHBondContact O-N 2.79Å
212P65.4Low69.3Low44 Ų4490.7 Ų90.729%0.28653%0.53SS..THydrogen-bonded Turntrans-60.1-18.9-179-24.432.6000115.4K206 Q207 F214 G220K206-P212 HydrophobicContact CB-CB 3.58Å; K206-P212 HydrophobicContact CB-CG 3.96Å; Q207-P212 WeakPolarHBondContact O-CA 3.42Å; P212-F214 VanDerWaalsContact C-N 3.32Å; P212-G220 PolarHBondContact O-N 2.81Å
213G72.6Confident69.6Low59 Ų5984.8 Ų84.861%0.60852%0.519SS*.THydrogen-bonded Turntrans-78.4-10.9174.300000114.6T211 F215T211-G213 PolarHBondContact O-N 2.86Å; G213-F215 PolarHBondContact O-N 2.89Å
214F76.8Confident69.9Low116 Ų11680.4 Ų80.451%0.50951%0.506SS..  trans-91.786.6179.5-166.6-96.8000111T211 P212 G216 L217 G219T211-F214 PolarHBondContact O-N 2.79Å; P212-F214 VanDerWaalsContact C-N 3.32Å; F214-G216 PolarHBondContact O-N 3.01Å; F214-G216 VanDerWaalsContact O-N 3.14Å; F214-L217 HydrophobicContact CD1-CB 3.79Å; F214-L217 HydrophobicContact CD1-CD1 4.16Å; F214-L217 HydrophobicContact CD1-CG 3.57Å; F214-L217 VanDerWaalsContact CD1-N 3.27Å; F214-L217 HydrophobicContact CE1-CB 4.18Å; F214-L217 HydrophobicContact CE1-CD1 4.34Å; F214-L217 HydrophobicContact CE1-CD2 4.34Å; F214-L217 HydrophobicContact CE1-CG 3.57Å; F214-L217 PolarHBondContact O-N 2.87Å; F214-G219 WeakPolarHBondContact O-CA 3.48Å; F214-G219 PolarHBondContact O-N 2.85Å; F214-G219 VanDerWaalsContact O-N 3.08Å
215F72.4Confident70.5Confident144 Ų14478 Ų7863%0.63249%0.488SS*.G310 helixtrans-57.3-26.8178.8-72.5-86.3000113.5G213 L217 G218 G219G213-F215 PolarHBondContact O-N 2.89Å; F215-L217 VanDerWaalsContact C-N 3.29Å; F215-L217 PolarHBondContact O-N 3.1Å; F215-G218 PolarHBondContact O-N 2.84Å; F215-G218 VanDerWaalsContact O-N 3.08Å; F215-G219 WeakPolarHBondContact CD1-O 3.22Å
216G77.2Confident70.9Confident64 Ų6478.3 Ų78.366%0.6648%0.48SS*.G310 helixtrans-65.6-22.4-178.800000115.6F214F214-G216 PolarHBondContact O-N 3.01Å; F214-G216 VanDerWaalsContact O-N 3.14Å
217L80.8Confident71.3Confident103 Ų10371.8 Ų71.854%0.53945%0.452SS..G310 helixtrans-107.426.3172.9-63.3-178.5000111.8V209 F214 F215V209-L217 HydrophobicContact CB-CB 4.13Å; F214-L217 HydrophobicContact CD1-CB 3.79Å; F214-L217 HydrophobicContact CD1-CD1 4.16Å; F214-L217 HydrophobicContact CD1-CG 3.57Å; F214-L217 VanDerWaalsContact CD1-N 3.27Å; F214-L217 HydrophobicContact CE1-CB 4.18Å; F214-L217 HydrophobicContact CE1-CD1 4.34Å; F214-L217 HydrophobicContact CE1-CD2 4.34Å; F214-L217 HydrophobicContact CE1-CG 3.57Å; F214-L217 PolarHBondContact O-N 2.87Å; F215-L217 VanDerWaalsContact C-N 3.29Å; F215-L217 PolarHBondContact O-N 3.1Å
218G71.3Confident72Confident58 Ų5867.1 Ų67.160%0.59843%0.433SS*.THydrogen-bonded Turntrans79.725.6-178.400000114.2F215F215-G218 PolarHBondContact O-N 2.84Å; F215-G218 VanDerWaalsContact O-N 3.08Å
219G77.3Confident73.2Confident8 Ų865.7 Ų65.78%0.08242%0.418CS..  trans-63.2144.3166.700000112.1Q207 F214 F215Q207-G219 CarbonylContact O-C 3.59Å; Q207-G219 VanDerWaalsContact O-CA 3.26Å; Q207-G219 WeakPolarHBondContact O-CA 3.28Å; F214-G219 WeakPolarHBondContact O-CA 3.48Å; F214-G219 PolarHBondContact O-N 2.85Å; F214-G219 VanDerWaalsContact O-N 3.08Å; F215-G219 WeakPolarHBondContact CD1-O 3.22Å
220G72Confident74.2Confident16 Ų1661.8 Ų61.817%0.16539%0.394CS..EExtended strand (participates in β ladder)trans-167.6151.2-179.700000112.4Q207 P212Q207-G220 PolarHBondContact N-O 2.76Å; Q207-G220 PolarHBondContact O-N 3.45Å; Q207-G220 VanDerWaalsContact O-O 3.12Å; P212-G220 PolarHBondContact O-N 2.81Å
221I72.4Confident75Confident101 Ų10158.1 Ų58.152%0.51836%0.355SS..EExtended strand (participates in β ladder)trans-104.9117.7170.8-57.5176.1000106.8K206K206-I221 HydrophobicContact CG-CG1 4.33Å
222N65.2Low76Confident104 Ų10453.7 Ų53.756%0.55633%0.328SS*.EExtended strand (participates in β ladder)trans-99.1105.8171.7-68.8-15.8000107.2G205G205-N222 PolarHBondContact N-O 2.85Å; G205-N222 PolarHBondContact O-N 3.35Å; G205-N222 VanDerWaalsContact O-O 3.13Å
223S63.4Low77.4Confident74 Ų7451.6 Ų51.652%0.51732%0.315SS..EExtended strand (participates in β ladder)trans-105.4117.2170.3-168.90000108.6R203R203-S223 CarbonylContact O-C 3.58Å; R203-S223 WeakPolarHBondContact O-CA 3.43Å
224E65.7Low78.5Confident96 Ų9648.8 Ų48.845%0.44929%0.286SS..EExtended strand (participates in β ladder)trans-100.9124.2169.9-171.7173.4-160.800107.5R203R203-E224 HydrophobicContact CB-CB 4.45Å; R203-E224 PolarHBondContact N-O 2.82Å; R203-E224 PolarHBondContact O-N 2.91Å; R203-E224 VanDerWaalsContact O-O 3.14Å
225N68.4Low79.4Confident29 Ų2943.3 Ų43.316%0.15526%0.262CS..EExtended strand (participates in β ladder)trans-109.9117.9171.2-162.966.1000106.7T17 D227T17-N225 CarbonylContact C-O 3.6Å; N225-D227 PolarHBondContact ND2-OD2 3.08Å; N225-D227 VanDerWaalsContact ND2-OD2 3.15Å
226D74.1Confident80.5Confident44 Ų4436.4 Ų36.424%0.23523%0.232CC..EExtended strand (participates in β ladder)trans-111.1110.1179-169.137.8000108.8R15 K16 G201R15-D226 VanDerWaalsContact CD-OD1 3.26Å; R15-D226 WeakPolarHBondContact CD-OD1 3.4Å; R15-D226 VanDerWaalsContact CD-OD2 3.3Å; R15-D226 WeakPolarHBondContact CD-OD2 3.49Å; R15-D226 WeakPolarHBondContact CG-OD1 3.27Å; K16-D226 WeakPolarHBondContact O-CA 3.11Å; G201-D226 PolarHBondContact N-O 2.83Å; G201-D226 PolarHBondContact O-N 3.26Å
227D79.4Confident81.3Confident13 Ų1335.8 Ų35.87%0.0721%0.213CC..EExtended strand (participates in β ladder)trans-102.1121.7175.2-71.3-44000109.1R15 K16 S200 N225R15-D227 CarbonylContact C-O 3.47Å; R15-D227 WeakPolarHBondContact CA-O 3.3Å; K16-D227 PolarHBondContact N-O 2.89Å; K16-D227 PolarHBondContact O-N 2.94Å; S200-D227 VanDerWaalsContact CA-OD1 3.26Å; S200-D227 WeakPolarHBondContact CA-OD1 3.33Å; S200-D227 WeakPolarHBondContact CB-OD1 3.46Å; N225-D227 PolarHBondContact ND2-OD2 3.08Å; N225-D227 VanDerWaalsContact ND2-OD2 3.15Å
228T84.6Confident82Confident34 Ų3431.7 Ų31.721%0.20919%0.192CC..EExtended strand (participates in β ladder)trans-105120.9174.2-62.90000109.7I14 Q198 Q199I14-T228 WeakPolarHBondContact O-CA 3.12Å; Q198-T228 CarbonylContact C-O 3.57Å; Q198-T228 WeakPolarHBondContact CA-O 2.97Å; Q199-T228 PolarHBondContact N-O 3.4Å; Q199-T228 PolarHBondContact O-N 3.08Å
229I86.2Confident82.9Confident1 Ų135.4 Ų35.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-108.4127.3177.5-56.9169.3000108.6S13 I14 K16 I24 F197 Q198S13-I229 CarbonylContact C-O 3.57Å; S13-I229 WeakPolarHBondContact CA-O 3.34Å; I14-I229 PolarHBondContact N-O 3.48Å; I14-I229 PolarHBondContact O-N 3.41Å; K16-I229 HydrophobicContact CD-CD1 4.38Å; I24-I229 HydrophobicContact CD1-CB 4.45Å; I24-I229 HydrophobicContact CD1-CD1 4.49Å; I24-I229 HydrophobicContact CD1-CG2 3.86Å; I24-I229 HydrophobicContact CG1-CD1 3.9Å; I24-I229 HydrophobicContact CG1-CG2 4.39Å; F197-I229 CarbonylContact O-C 3.48Å; F197-I229 WeakPolarHBondContact O-CA 3.48Å; Q198-I229 HydrophobicContact CG-CG1 4.25Å
230L88.9Confident83.2Confident20 Ų2036.8 Ų36.811%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-90.2133.7169-57.6-176.8000111.2L12 V81 L154 F197L12-L230 CarbonylContact O-C 3.48Å; L12-L230 WeakPolarHBondContact O-CA 3.41Å; V81-L230 HydrophobicContact CG2-CD2 4.42Å; L154-L230 HydrophobicContact CD1-CD1 3.91Å; L154-L230 HydrophobicContact CD2-CD1 3.57Å; L154-L230 HydrophobicContact CD2-CG 4.37Å; L154-L230 HydrophobicContact CG-CD1 4.3Å; F197-L230 HydrophobicContact CB-CB 4.11Å; F197-L230 HydrophobicContact CB-CD1 4.4Å; F197-L230 HydrophobicContact CB-CG 4.39Å; F197-L230 HydrophobicContact CD2-CB 4.48Å; F197-L230 PolarHBondContact O-N 2.86Å
231V90.5Very high83.8Confident0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans-119.4125.3172.1172.40000108.4L12 I14 I24 W26 I193 I194 L233L12-V231 HydrophobicContact CB-CB 4.36Å; L12-V231 PolarHBondContact N-O 2.94Å; L12-V231 PolarHBondContact O-N 3.22Å; I14-V231 HydrophobicContact CD1-CB 3.84Å; I14-V231 HydrophobicContact CD1-CG2 3.4Å; I24-V231 HydrophobicContact CD1-CG2 3.48Å; I24-V231 VanDerWaalsContact CD1-CG2 3.48Å; W26-V231 HydrophobicContact CH2-CG1 3.87Å; W26-V231 HydrophobicContact CH2-CG2 3.87Å; W26-V231 HydrophobicContact CZ2-CG1 4.45Å; W26-V231 HydrophobicContact CZ2-CG2 3.9Å; I193-V231 HydrophobicContact CG2-CG1 3.79Å; I194-V231 CarbonylContact O-C 3.13Å; I194-V231 WeakPolarHBondContact O-CA 3.42Å; V231-L233 HydrophobicContact CG1-CD2 4Å
232V92.4Very high84.4Confident0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-107.8124.6177.5-173.80000109V9 I11 F131 M133 M152 I194 I234V9-V232 HydrophobicContact CG1-CG1 4.15Å; I11-V232 HydrophobicContact CG1-CG1 4.39Å; I11-V232 HydrophobicContact CG1-CG2 4.39Å; I11-V232 HydrophobicContact CG2-CG2 4.48Å; F131-V232 HydrophobicContact CE2-CG2 4.41Å; F131-V232 HydrophobicContact CZ-CG2 4.29Å; M133-V232 HydrophobicContact SD-CG1 4.3Å; M152-V232 HydrophobicContact CE-CB 4.32Å; M152-V232 HydrophobicContact CE-CG1 4.25Å; M152-V232 HydrophobicContact CE-CG2 4.33Å; M152-V232 HydrophobicContact SD-CG2 4.49Å; I194-V232 HydrophobicContact CB-CB 4.38Å; I194-V232 PolarHBondContact N-O 3.02Å; I194-V232 PolarHBondContact O-N 2.93Å; V232-I234 HydrophobicContact CG1-CD1 4.35Å; V232-I234 HydrophobicContact CG1-CG1 4.01Å
233L94Very high85.5Confident0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-106127.2174.3-53.2179.6000108.9V9 E10 L12 L62 F68 T191 V192 I193 V231V9-L233 CarbonylContact C-O 3.52Å; V9-L233 VanDerWaalsContact CA-O 3.32Å; V9-L233 WeakPolarHBondContact CA-O 3.37Å; E10-L233 HydrophobicContact CB-CB 4.37Å; E10-L233 PolarHBondContact N-O 3Å; E10-L233 PolarHBondContact O-N 2.96Å; L12-L233 HydrophobicContact CD1-CD1 4.05Å; L62-L233 HydrophobicContact CB-CD1 4.33Å; F68-L233 HydrophobicContact CD1-CD1 4.06Å; F68-L233 HydrophobicContact CE1-CD1 3.78Å; F68-L233 HydrophobicContact CE1-CD2 3.88Å; F68-L233 HydrophobicContact CE1-CG 4.43Å; F68-L233 HydrophobicContact CZ-CD2 4.36Å; T191-L233 HydrophobicContact CG2-CB 4.04Å; V192-L233 CarbonylContact O-C 3.55Å; V192-L233 WeakPolarHBondContact O-CA 3.19Å; I193-L233 HydrophobicContact CB-CD2 4.08Å; I193-L233 HydrophobicContact CD1-CD2 4.46Å; I193-L233 HydrophobicContact CG1-CD2 3.77Å; I193-L233 HydrophobicContact CG2-CD2 3.81Å; V231-L233 HydrophobicContact CG1-CD2 4Å
234I94.9Very high86.9Confident0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-126.4118.6175.6-47.9166.4000109.3N8 V9 M133 L135 L148 T191 V192 I194 V232N8-I234 CarbonylContact O-C 3.57Å; N8-I234 WeakPolarHBondContact O-CA 3.3Å; V9-I234 HydrophobicContact CG2-CG1 4.37Å; V9-I234 HydrophobicContact CG2-CG2 4.26Å; M133-I234 HydrophobicContact SD-CD1 4.27Å; L135-I234 HydrophobicContact CD1-CD1 4.29Å; L135-I234 HydrophobicContact CD1-CG2 4.08Å; L135-I234 HydrophobicContact CD2-CD1 3.69Å; L148-I234 HydrophobicContact CD2-CB 4.39Å; L148-I234 HydrophobicContact CD2-CD1 4.23Å; L148-I234 HydrophobicContact CD2-CG2 3.77Å; T191-I234 WeakPolarHBondContact CA-O 3.33Å; V192-I234 HydrophobicContact CG1-CB 3.66Å; V192-I234 HydrophobicContact CG1-CD1 4.22Å; V192-I234 HydrophobicContact CG1-CG1 4.25Å; V192-I234 PolarHBondContact N-O 2.79Å; V192-I234 PolarHBondContact O-N 2.87Å; I194-I234 HydrophobicContact CD1-CD1 3.82Å; V232-I234 HydrophobicContact CG1-CD1 4.35Å; V232-I234 HydrophobicContact CG1-CG1 4.01Å
235T95.8Very high88.4Confident0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-116.596.9177-45.90000110.2N8 K61 T63 T191 N237N8-T235 PolarHBondContact N-O 2.9Å; N8-T235 PolarHBondContact ND2-O 2.79Å; N8-T235 PolarHBondContact O-N 3.11Å; K61-T235 HydrophobicContact CB-CG2 4.3Å; K61-T235 HydrophobicContact CG-CG2 4.19Å; T63-T235 PolarHBondContact OG1-OG1 2.82Å; T191-T235 WeakPolarHBondContact CG2-OG1 3.49Å; T191-T235 PolarHBondContact OG1-OG1 2.83Å; T235-N237 PolarHBondContact O-ND2 3.03Å
236P95.7Very high89.8Confident0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-72138.9170.630.7-37.5000111.7V5 V6 L7 L146 L186 G189 Q190V5-P236 HydrophobicContact CG2-CB 3.8Å; V6-P236 CarbonylContact O-C 3.53Å; V6-P236 WeakPolarHBondContact O-CA 3.48Å; L7-P236 HydrophobicContact CD2-CB 3.73Å; L146-P236 HydrophobicContact CD1-CB 3.93Å; L146-P236 HydrophobicContact CD1-CG 4.17Å; L146-P236 HydrophobicContact CD2-CB 3.53Å; L146-P236 HydrophobicContact CD2-CG 3.72Å; L146-P236 HydrophobicContact CG-CB 4.3Å; L146-P236 HydrophobicContact CG-CG 4.32Å; L186-P236 HydrophobicContact CB-CG 4.04Å; L186-P236 HydrophobicContact CD1-CG 3.93Å; G189-P236 PolarHBondContact N-O 2.86Å; Q190-P236 WeakPolarHBondContact O-CD 3.46Å
237N95.3Very high91Very high50 Ų5020.8 Ų20.827%0.26711%0.111SC..EExtended strand (participates in β ladder)trans-128.2109.2169.3-61.6-86.5000108.4V5 V6 N8 T235V5-N237 CarbonylContact C-O 3.51Å; V5-N237 WeakPolarHBondContact CA-O 3.27Å; V6-N237 HydrophobicContact CB-CB 4.49Å; V6-N237 PolarHBondContact N-O 2.92Å; V6-N237 PolarHBondContact O-N 2.78Å; N8-N237 PolarHBondContact ND2-ND2 3.07Å; T235-N237 PolarHBondContact O-ND2 3.03Å
238I94.3Very high92Very high18 Ų1821.5 Ų21.59%0.09211%0.114CC..EExtended strand (participates in β ladder)trans-70134.2177.5-57.8169000108.4V5 I139 L146 S188V5-I238 HydrophobicContact CG2-CG1 4.38Å; I139-I238 HydrophobicContact CD1-CG2 4.47Å; I139-I238 HydrophobicContact CG2-CD1 4.01Å; I139-I238 HydrophobicContact CG2-CG2 4.43Å; L146-I238 HydrophobicContact CD2-CD1 3.91Å; L146-I238 HydrophobicContact CD2-CG1 3.81Å; S188-I238 PolarHBondContact OG-N 3.14Å
239I90.9Very high92.6Very high135 Ų13520.4 Ų20.469%0.69211%0.106SC*.  trans-114.70175.564.5176.7000111.2Q4 V6 V87Q4-I239 HydrophobicContact CB-CD1 3.66Å; Q4-I239 HydrophobicContact CB-CG1 3.46Å; Q4-I239 VanDerWaalsContact CB-CG1 3.46Å; Q4-I239 PolarHBondContact O-N 3.38Å; V6-I239 HydrophobicContact CG2-CD1 4.42Å; V6-I239 HydrophobicContact CG2-CG2 3.98Å; V87-I239 HydrophobicContact CG1-CD1 4.09Å

Retrieved 239 of 239 residues in 223.7 ms (Link to these results)