A0A077ZIN1_TRITR Loading...

4,5-DOPA dioxygenase extradiol

AlphaFold DB , UniProt , Accession A0A077ZIN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M43.7Very low40.8Very low246 Ų246146.1 Ų146.1100%1.21279%0.786SS**  0104.10-83.3175.4175.900107.4
2T37.7Very low42.4Very low138 Ų138137.4 Ų137.485%0.84775%0.745SS**  trans-71.6140.2176.7-30.60000108.7
3P41.4Very low45.7Very low109 Ų109134.5 Ų134.571%0.70874%0.735SS**  trans-78.2137.6-168.620.4-14.6000112V5P3-V5 VanDerWaalsContact C-N 3.34Å; P3-V5 PolarHBondContact O-N 3.02Å
4L41Very low49.3Very low164 Ų164129.2 Ų129.286%0.85970%0.699SS**  trans-68.891.7163.5-83.7126.8000108.2K6L4-K6 PolarHBondContact O-N 3.03Å
5V41.3Very low52.6Low112 Ų112121.4 Ų121.468%0.67966%0.656SS**  trans-69.496153.9-1790000104.6P3 D7P3-V5 VanDerWaalsContact C-N 3.34Å; P3-V5 PolarHBondContact O-N 3.02Å; V5-D7 VanDerWaalsContact C-N 3.3Å; V5-D7 PolarHBondContact O-N 3.03Å
6K41Very low55.4Low171 Ų171113.9 Ų113.974%0.74362%0.615SS**  trans-63.6104.4161.6-79.4-179174.8-178.60104.9L4 I8L4-K6 PolarHBondContact O-N 3.03Å; K6-I8 PolarHBondContact O-N 2.85Å
7D38.4Very low58Low135 Ų135107.2 Ų107.272%0.72258%0.579SS**  trans-50.9100157.3-66.7-37.4000106V5 I9V5-D7 VanDerWaalsContact C-N 3.3Å; V5-D7 PolarHBondContact O-N 3.03Å; D7-I9 PolarHBondContact O-N 2.75Å
8I40.7Very low60.2Low139 Ų139101.2 Ų101.271%0.71355%0.547SS*.  trans-67.490161.6-62.2172.2000102.2K6 M10K6-I8 PolarHBondContact O-N 2.85Å; I8-M10 HydrophobicContact CG2-CG 3.72Å; I8-M10 PolarHBondContact O-N 2.84Å
9I40.1Very low62.3Low146 Ų14695.9 Ų95.975%0.74952%0.518SS*.  trans-60.487.9159-59177.1000103.4D7 S11D7-I9 PolarHBondContact O-N 2.75Å; I9-S11 PolarHBondContact O-N 2.81Å
10M40.3Very low64.1Low150 Ų15091.1 Ų91.174%0.73949%0.492SS*.  trans-64.988.7159.4-67.9-154.5-148.500103.5I8 S12I8-M10 HydrophobicContact CG2-CG 3.72Å; I8-M10 PolarHBondContact O-N 2.84Å; M10-S12 PolarHBondContact O-N 3.19Å
11S43.5Very low65.7Low97 Ų9786.8 Ų86.868%0.67847%0.469SS*.  trans-6393158.666.20000104I9 T13I9-S11 PolarHBondContact O-N 2.81Å; S11-T13 PolarHBondContact O-N 2.74Å
12S59.9Low68.3Low42 Ų4275.5 Ų75.529%0.29441%0.413SS..  trans-59.2113170.9177.60000105.3M10 R14 D164 G166M10-S12 PolarHBondContact O-N 3.19Å; S12-R14 PolarHBondContact O-N 2.8Å; S12-D164 WeakPolarHBondContact CB-O 3.48Å; S12-G166 VanDerWaalsContact OG-CA 3.25Å; S12-G166 WeakPolarHBondContact OG-CA 3.44Å; S12-G166 PolarHBondContact OG-N 3.48Å
13T85.7Confident71.1Confident99 Ų9969.2 Ų69.261%0.60738%0.376SS*.PPolyproline II helixtrans-56.7127.4167.5-52.20000106.5S11 M15S11-T13 PolarHBondContact O-N 2.74Å; T13-M15 PolarHBondContact O-N 2.74Å; T13-M15 VanDerWaalsContact O-N 3.14Å
14R95.6Very high73.7Confident61 Ų6165.3 Ų65.323%0.2335%0.351CS..PPolyproline II helixtrans-50.3122.1176-179.3174.9179.882.4-1.2108.9S12 A160 R163 D164 A244 E249S12-R14 PolarHBondContact O-N 2.8Å; R14-A160 PolarHBondContact NH1-O 3.23Å; R14-R163 WeakPolarHBondContact CA-O 3.27Å; R14-R163 HydrophobicContact CG-CB 3.93Å; R14-R163 VanDerWaalsContact NH2-NH1 3.18Å; R14-D164 WeakPolarHBondContact CD-OD1 3.34Å; R14-D164 WeakPolarHBondContact CG-OD1 3.35Å; R14-D164 IonicContact CZ-OD1 3.78Å; R14-D164 IonicContact NH1-OD1 2.69Å; R14-D164 PolarHBondContact NH1-OD1 3.23Å; R14-D164 IonicContact NH1-OD2 3.24Å; R14-D164 PolarHBondContact NH1-OD2 3.1Å; R14-A244 PolarHBondContact NH2-O 2.82Å; R14-E249 VanDerWaalsContact CD-OE1 3.24Å; R14-E249 WeakPolarHBondContact CD-OE1 3.25Å; R14-E249 IonicContact CZ-OE2 3.96Å; R14-E249 IonicContact NE-OE1 3.23Å; R14-E249 PolarHBondContact NE-OE1 3.47Å; R14-E249 IonicContact NE-OE2 3.15Å; R14-E249 PolarHBondContact NE-OE2 3.15Å; R14-E249 VanDerWaalsContact NE-OE2 3.15Å; R14-E249 IonicContact NH2-OE2 3.89Å
15M98.1Very high76.3Confident12 Ų1258.2 Ų58.26%0.05932%0.315CS..PPolyproline II helixtrans-72.5150.3-176.8-71.4-64.7158.600111.2T13 P46 P48 R163 I167 M168T13-M15 PolarHBondContact O-N 2.74Å; T13-M15 VanDerWaalsContact O-N 3.14Å; M15-P46 HydrophobicContact CE-CB 4.27Å; M15-P46 HydrophobicContact SD-CB 4.13Å; M15-P46 HydrophobicContact SD-CG 3.84Å; M15-P48 HydrophobicContact CG-CB 4.41Å; M15-P48 HydrophobicContact SD-CB 4.01Å; M15-R163 PolarHBondContact N-O 3.48Å; M15-R163 VanDerWaalsContact O-CZ 3.27Å; M15-R163 PolarHBondContact O-NE 2.98Å; M15-R163 PolarHBondContact O-NH2 2.88Å; M15-I167 WeakPolarHBondContact CB-O 3.49Å; M15-M168 HydrophobicContact CB-CB 4.22Å
16P98.2Very high79Confident1 Ų155 Ų551%0.00629%0.293CS..PPolyproline II helixtrans-67.2163.5174.829.7-36.2000111.6L18 L45 M168 L169 I270P16-L18 HydrophobicContact CB-CD2 4.44Å; P16-L45 HydrophobicContact CB-CD2 4.46Å; P16-L45 HydrophobicContact CG-CB 4.44Å; P16-L45 HydrophobicContact CG-CD1 3.92Å; P16-L45 HydrophobicContact CG-CD2 4.07Å; P16-L45 HydrophobicContact CG-CG 4.35Å; P16-M168 HydrophobicContact CG-CG 4.24Å; P16-M168 HydrophobicContact CG-SD 3.89Å; P16-M168 WeakPolarHBondContact O-CG 3.06Å; P16-L169 PolarHBondContact O-N 3.3Å; P16-I270 CarbonylContact C-O 3.57Å; P16-I270 WeakPolarHBondContact CA-O 3.49Å; P16-I270 WeakPolarHBondContact CB-O 3.38Å
17A98.8Very high81.6Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-119.6131.4166.100000109.3L169 V241 A244 I270A17-L169 CarbonylContact C-O 3.51Å; A17-L169 WeakPolarHBondContact CA-O 3.49Å; A17-L169 HydrophobicContact CB-CB 3.96Å; A17-L169 HydrophobicContact CB-CD1 4.37Å; A17-V241 HydrophobicContact CB-CG1 4.09Å; A17-A244 HydrophobicContact CB-CB 4.4Å; A17-I270 HydrophobicContact CB-CB 4.35Å; A17-I270 PolarHBondContact N-O 3.12Å; A17-I270 PolarHBondContact O-N 2.92Å
18L98.9Very high84.5Confident0 Ų041.2 Ų41.20%023%0.228CC..EExtended strand (participates in β ladder)trans-120.8131.3-172-55.1178.5000110.4P16 L20 L45 M130 M168 L169 V170 A171 V241 V268 Q269P16-L18 HydrophobicContact CB-CD2 4.44Å; L18-L20 HydrophobicContact CB-CD2 4.29Å; L18-L20 HydrophobicContact CB-CG 4.3Å; L18-L45 HydrophobicContact CD1-CD1 3.73Å; L18-L45 HydrophobicContact CD2-CD1 4.05Å; L18-L45 HydrophobicContact CG-CD1 4.39Å; L18-M130 HydrophobicContact CD1-CE 3.48Å; L18-M130 VanDerWaalsContact CD1-CE 3.48Å; L18-M130 HydrophobicContact CD1-SD 4.29Å; L18-M168 HydrophobicContact CD1-SD 4Å; L18-L169 PolarHBondContact N-O 3.45Å; L18-V170 HydrophobicContact CB-CG2 4.48Å; L18-V170 HydrophobicContact CD1-CG2 4.25Å; L18-V170 CarbonylContact O-C 3.48Å; L18-V170 WeakPolarHBondContact O-CA 3.37Å; L18-A171 PolarHBondContact O-N 3.16Å; L18-V241 VanDerWaalsContact O-CG2 3.26Å; L18-V241 WeakPolarHBondContact O-CG2 2.98Å; L18-V268 CarbonylContact C-O 3.57Å; L18-V268 WeakPolarHBondContact CA-O 3.45Å; L18-Q269 HydrophobicContact CD2-CB 3.64Å; L18-Q269 HydrophobicContact CD2-CG 3.64Å
19F98.9Very high87.2Confident0 Ų038.1 Ų38.10%021%0.212CC..EExtended strand (participates in β ladder)trans-104.7122.3158.3172.3-100.1000107.8A171 V175 P237 L238 V241 L266 S267 V268F19-A171 CarbonylContact C-O 3.56Å; F19-A171 VanDerWaalsContact CA-O 3.29Å; F19-A171 WeakPolarHBondContact CA-O 3.45Å; F19-A171 HydrophobicContact CD2-CB 4.43Å; F19-V175 HydrophobicContact CE1-CG1 3.73Å; F19-V175 HydrophobicContact CZ-CG1 3.93Å; F19-P237 HydrophobicContact CD2-CB 4.17Å; F19-P237 HydrophobicContact CE2-CB 4.05Å; F19-L238 HydrophobicContact CB-CD1 3.93Å; F19-L238 HydrophobicContact CD1-CB 4.47Å; F19-L238 HydrophobicContact CD1-CD1 3.96Å; F19-L238 HydrophobicContact CD2-CB 3.83Å; F19-L238 HydrophobicContact CD2-CD1 4.43Å; F19-L238 HydrophobicContact CE2-CB 3.93Å; F19-L238 HydrophobicContact CG-CB 4.1Å; F19-L238 HydrophobicContact CG-CD1 3.84Å; F19-L238 HydrophobicContact CZ-CB 4.29Å; F19-V241 HydrophobicContact CB-CB 4.28Å; F19-V241 HydrophobicContact CB-CG1 4.32Å; F19-V241 HydrophobicContact CB-CG2 4.01Å; F19-L266 VanDerWaalsContact CE1-O 3.28Å; F19-L266 WeakPolarHBondContact CE1-O 3.23Å; F19-S267 CarbonylContact O-C 3.29Å; F19-S267 WeakPolarHBondContact O-CA 3.34Å; F19-S267 WeakPolarHBondContact O-CB 3.48Å; F19-V268 HydrophobicContact CB-CB 4.24Å; F19-V268 HydrophobicContact CD1-CG2 4.42Å; F19-V268 PolarHBondContact N-O 3.1Å; F19-V268 PolarHBondContact O-N 2.8Å
20L98.9Very high89.8Confident0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-115.1119.8-178.2-58.2179.9000109.7L18 H22 L41 V126 M130 V170 A171 S172 G173L18-L20 HydrophobicContact CB-CD2 4.29Å; L18-L20 HydrophobicContact CB-CG 4.3Å; L20-H22 PolarHBondContact O-N 3.41Å; L20-L41 HydrophobicContact CD2-CD1 3.88Å; L20-V126 HydrophobicContact CB-CG1 4.27Å; L20-V126 HydrophobicContact CD1-CB 3.89Å; L20-V126 HydrophobicContact CD1-CG1 4.43Å; L20-V126 HydrophobicContact CD1-CG2 3.92Å; L20-M130 HydrophobicContact CD1-SD 3.67Å; L20-V170 HydrophobicContact CD1-CG1 4.05Å; L20-A171 PolarHBondContact N-O 3.44Å; L20-S172 WeakPolarHBondContact O-CA 3.37Å; L20-G173 PolarHBondContact O-N 2.78Å
21G98.5Very high92.6Very high0 Ų032.5 Ų32.50%019%0.185CC..EExtended strand (participates in β ladder)trans-64.596.1170.400000110G23 W38 G173 M265 L266 S267G21-G23 PolarHBondContact O-N 3.23Å; G21-W38 VanDerWaalsContact O-CZ2 3.29Å; G21-W38 WeakPolarHBondContact O-CZ2 3.24Å; G21-G173 CarbonylContact C-O 3.39Å; G21-G173 WeakPolarHBondContact CA-O 3.01Å; G21-M265 WeakPolarHBondContact O-CE 3.28Å; G21-L266 PolarHBondContact N-O 3.45Å; G21-S267 PolarHBondContact N-OG 3.22Å
22H97.9Very high95.2Very high9 Ų929.2 Ų29.24%0.04216%0.159CC..  trans-73.8-28.9-167.957.9-140.4000113.7L20 N27 H57 V126 G173 N174 H234L20-H22 PolarHBondContact O-N 3.41Å; H22-N27 PolarHBondContact O-ND2 3.34Å; H22-H57 AromaticContact CE1-CD2 3.5Å; H22-H57 AromaticContact CE1-NE2 3.29Å; H22-H57 PolarHBondContact CE1-NE2 2.69Å; H22-H57 VanDerWaalsContact CE1-NE2 3.29Å; H22-H57 AromaticContact NE2-NE2 3.46Å; H22-H57 PolarHBondContact NE2-NE2 3.27Å; H22-V126 HydrophobicContact CB-CG1 3.84Å; H22-G173 PolarHBondContact N-O 3.2Å; H22-G173 PolarHBondContact ND1-N 3.36Å; H22-N174 PolarHBondContact CD2-OD1 3.1Å; H22-N174 PolarHBondContact NE2-OD1 3.33Å; H22-H234 AromaticContact CE1-CD2 3.76Å; H22-H234 AromaticContact CE1-NE2 3.69Å; H22-H234 AromaticContact NE2-CD2 3.44Å; H22-H234 PolarHBondContact NE2-CD2 3.02Å; H22-H234 AromaticContact NE2-NE2 3.31Å; H22-H234 PolarHBondContact NE2-NE2 3.46Å
23G96.2Very high97Very high7 Ų732.8 Ų32.87%0.07218%0.175CC..  trans65.2-140177.100000114.2G21 N174 M265G21-G23 PolarHBondContact O-N 3.23Å; G23-N174 PolarHBondContact N-ND2 3.32Å; G23-M265 WeakPolarHBondContact CA-SD 3.25Å
24S95.3Very high97.6Very high26 Ų2629.4 Ų29.418%0.18215%0.151CC..  trans-75.7143177.6177.40000111.5M26 N27S24-M26 PolarHBondContact O-N 2.81Å; S24-M26 PolarHBondContact OG-N 3.44Å; S24-N27 WeakPolarHBondContact O-CB 3.29Å; S24-N27 PolarHBondContact O-N 2.95Å; S24-N27 PolarHBondContact O-ND2 2.62Å
25P96.9Very high97.7Very high16 Ų1626.5 Ų26.510%0.10414%0.14CC..G310 helixtrans-49.4-27.1167.4-29.835.7000114.1N27 V28 F77 F80 L84P25-N27 PolarHBondContact O-N 3.25Å; P25-N27 VanDerWaalsContact O-N 3.13Å; P25-V28 WeakPolarHBondContact O-CB 3.41Å; P25-V28 WeakPolarHBondContact O-CG2 3.39Å; P25-V28 PolarHBondContact O-N 2.99Å; P25-V28 VanDerWaalsContact O-N 3.12Å; P25-F77 HydrophobicContact CB-CD1 3.94Å; P25-F77 HydrophobicContact CB-CE1 4.14Å; P25-F77 HydrophobicContact CB-CG 4.2Å; P25-F77 HydrophobicContact CG-CB 4.09Å; P25-F77 HydrophobicContact CG-CD1 3.95Å; P25-F77 HydrophobicContact CG-CG 4.06Å; P25-F80 HydrophobicContact CB-CD1 4.26Å; P25-F80 HydrophobicContact CB-CD2 4.33Å; P25-F80 HydrophobicContact CB-CE1 4.06Å; P25-F80 HydrophobicContact CB-CE2 4.14Å; P25-F80 HydrophobicContact CB-CG 4.41Å; P25-F80 HydrophobicContact CB-CZ 4.01Å; P25-F80 VanDerWaalsContact CD-CZ 3.5Å; P25-F80 HydrophobicContact CG-CD2 4.25Å; P25-F80 HydrophobicContact CG-CE1 4.13Å; P25-F80 HydrophobicContact CG-CE2 3.64Å; P25-F80 HydrophobicContact CG-CZ 3.58Å; P25-L84 HydrophobicContact CB-CD1 4.06Å; P25-L84 WeakPolarHBondContact O-CD2 3.17Å
26M96.4Very high97.7Very high44 Ų4432.3 Ų32.322%0.21716%0.161CC..G310 helixtrans-57.7-24.8175.5-71.8-59.9-58.200113.9S24 V28 L29 E30 F80 P81 L84S24-M26 PolarHBondContact O-N 2.81Å; S24-M26 PolarHBondContact OG-N 3.44Å; M26-V28 PolarHBondContact O-N 3.11Å; M26-L29 HydrophobicContact CE-CD1 4.48Å; M26-L29 PolarHBondContact O-N 3.45Å; M26-E30 HydrophobicContact CB-CG 4.39Å; M26-E30 WeakPolarHBondContact CB-OE1 3.46Å; M26-E30 WeakPolarHBondContact O-CG 3.48Å; M26-E30 PolarHBondContact O-N 3.19Å; M26-F80 HydrophobicContact CG-CD1 3.85Å; M26-F80 HydrophobicContact CG-CE1 3.85Å; M26-F80 HydrophobicContact SD-CD1 3.9Å; M26-P81 HydrophobicContact CE-CG 4.39Å; M26-P81 HydrophobicContact SD-CG 3.94Å; M26-L84 HydrophobicContact SD-CD1 3.7Å
27N97.4Very high97.7Very high3 Ų333 Ų332%0.01617%0.166CC..G310 helixtrans-54.8-25.7175.5-80.7-37.7000112.8H22 S24 P25 L29 N32 T35 W38 K129 M265H22-N27 PolarHBondContact O-ND2 3.34Å; S24-N27 WeakPolarHBondContact O-CB 3.29Å; S24-N27 PolarHBondContact O-N 2.95Å; S24-N27 PolarHBondContact O-ND2 2.62Å; P25-N27 PolarHBondContact O-N 3.25Å; P25-N27 VanDerWaalsContact O-N 3.13Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 PolarHBondContact O-N 3.17Å; N27-N32 PolarHBondContact OD1-ND2 3.22Å; N27-T35 HydrophobicContact CB-CG2 3.83Å; N27-T35 WeakPolarHBondContact O-CG2 3.32Å; N27-W38 HydrophobicContact CB-CH2 3.78Å; N27-W38 HydrophobicContact CB-CZ3 3.83Å; N27-K129 WeakPolarHBondContact O-CE 3.32Å; N27-K129 PolarHBondContact O-NZ 3.21Å; N27-M265 WeakPolarHBondContact ND2-CE 3.4Å
28V97.5Very high97.7Very high13 Ų1333 Ų338%0.07917%0.166CC..G310 helixtrans-59.7-43.7172.7171.20000111.6P25 M26 L84 T87 W124 I128 K129P25-V28 WeakPolarHBondContact O-CB 3.41Å; P25-V28 WeakPolarHBondContact O-CG2 3.39Å; P25-V28 PolarHBondContact O-N 2.99Å; P25-V28 VanDerWaalsContact O-N 3.12Å; M26-V28 PolarHBondContact O-N 3.11Å; V28-L84 HydrophobicContact CB-CD2 3.57Å; V28-L84 HydrophobicContact CG1-CD2 3.81Å; V28-L84 HydrophobicContact CG2-CD2 4.22Å; V28-T87 HydrophobicContact CG1-CG2 3.85Å; V28-W124 HydrophobicContact CB-CZ3 4.25Å; V28-W124 HydrophobicContact CG1-CZ3 3.76Å; V28-W124 HydrophobicContact CG2-CE3 4.27Å; V28-W124 HydrophobicContact CG2-CH2 4.12Å; V28-W124 HydrophobicContact CG2-CZ3 3.53Å; V28-I128 HydrophobicContact CG1-CG2 4.37Å; V28-K129 WeakPolarHBondContact O-CE 3.37Å; V28-K129 PolarHBondContact O-NZ 2.92Å
29L97.1Very high97.7Very high74 Ų7436.6 Ų36.639%0.38718%0.183SC..THydrogen-bonded Turntrans-89.1-23.1-178.6-59.4-176.6000112.7M26 N27 A83 L84M26-L29 HydrophobicContact CE-CD1 4.48Å; M26-L29 PolarHBondContact O-N 3.45Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 PolarHBondContact O-N 3.17Å; L29-A83 HydrophobicContact CD1-CB 3.73Å; L29-A83 HydrophobicContact CD2-CB 4.39Å; L29-L84 HydrophobicContact CD1-CD2 4.11Å; L29-L84 HydrophobicContact CD1-CG 3.75Å; L29-L84 HydrophobicContact CD2-CD2 4.31Å; L29-L84 HydrophobicContact CG-CD2 3.71Å; L29-L84 HydrophobicContact CG-CG 3.95Å
30E96.6Very high97.7Very high80 Ų8042.8 Ų42.837%0.37421%0.21SC..  trans-85.3153.7-172.9-70.1177.9-175.800113.9M26 N32 T35 K129M26-E30 HydrophobicContact CB-CG 4.39Å; M26-E30 WeakPolarHBondContact CB-OE1 3.46Å; M26-E30 WeakPolarHBondContact O-CG 3.48Å; M26-E30 PolarHBondContact O-N 3.19Å; E30-N32 PolarHBondContact OE2-ND2 3.29Å; E30-T35 PolarHBondContact O-OG1 3.07Å; E30-K129 PolarHBondContact O-NZ 2.82Å
31D97.8Very high97.7Very high99 Ų9943.2 Ų43.253%0.52921%0.212SC..  trans-115.7103.3169.2178.626.5000109R36D31-R36 VanDerWaalsContact CG-NH2 3.32Å; D31-R36 WeakPolarHBondContact OD1-CG 3.27Å; D31-R36 IonicContact OD1-CZ 2.77Å; D31-R36 IonicContact OD1-NE 2.68Å; D31-R36 PolarHBondContact OD1-NE 3.25Å; D31-R36 IonicContact OD1-NH2 3.91Å; D31-R36 PolarHBondContact OD1-NH2 3.34Å; D31-R36 IonicContact OD2-CZ 3.88Å; D31-R36 IonicContact OD2-NE 2.95Å; D31-R36 PolarHBondContact OD2-NE 3.01Å; D31-R36 IonicContact OD2-NH2 3.02Å; D31-R36 PolarHBondContact OD2-NH2 2.72Å
32N97.5Very high97.6Very high27 Ų2743.9 Ų43.914%0.14422%0.219CC..SBendtrans-142.4-177.8-175.265.939.9000110.4N27 E30 Y34 T35 R36N27-N32 PolarHBondContact OD1-ND2 3.22Å; E30-N32 PolarHBondContact OE2-ND2 3.29Å; N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 3.35Å; N32-Y34 WeakPolarHBondContact OD1-CA 3.44Å; N32-Y34 WeakPolarHBondContact OD1-CB 3.16Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.16Å; N32-Y34 PolarHBondContact OD1-N 2.96Å; N32-T35 PolarHBondContact N-OG1 2.96Å; N32-T35 PolarHBondContact O-OG1 3.4Å; N32-T35 PolarHBondContact OD1-N 3.46Å; N32-R36 WeakPolarHBondContact O-CB 3.49Å; N32-R36 WeakPolarHBondContact O-CD 3.49Å; N32-R36 WeakPolarHBondContact O-CG 3.2Å; N32-R36 PolarHBondContact O-N 3.06Å
33L97.7Very high97.6Very high118 Ų11850.5 Ų50.562%0.61825%0.251SS*.Hα-helixtrans-58.4-39.3-178.2-179.266.7000112.5S37 V255L33-S37 WeakPolarHBondContact O-CB 3.45Å; L33-S37 PolarHBondContact O-N 3.22Å; L33-S37 VanDerWaalsContact O-N 3.1Å; L33-V255 HydrophobicContact CD2-CG2 4.27Å; L33-V255 HydrophobicContact CG-CG2 4.04Å
34Y98.2Very high97.7Very high28 Ų2854.5 Ų54.511%0.1127%0.274CS..Hα-helixtrans-71.2-48.9-177.2-46.3-67.6000111.2N32 R36 S37 W38 V255 E259 M265N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 3.35Å; N32-Y34 WeakPolarHBondContact OD1-CA 3.44Å; N32-Y34 WeakPolarHBondContact OD1-CB 3.16Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.16Å; N32-Y34 PolarHBondContact OD1-N 2.96Å; Y34-R36 VanDerWaalsContact C-N 3.34Å; Y34-R36 PolarHBondContact O-N 3.49Å; Y34-S37 WeakPolarHBondContact O-CA 3.33Å; Y34-S37 WeakPolarHBondContact O-CB 3.4Å; Y34-S37 PolarHBondContact O-N 3.24Å; Y34-W38 PolarHBondContact O-N 3.14Å; Y34-V255 HydrophobicContact CD1-CB 4.47Å; Y34-V255 HydrophobicContact CD1-CG1 4.17Å; Y34-V255 HydrophobicContact CD1-CG2 3.49Å; Y34-V255 VanDerWaalsContact CD1-CG2 3.49Å; Y34-V255 HydrophobicContact CE1-CG2 3.99Å; Y34-V255 HydrophobicContact CG-CG2 4.49Å; Y34-E259 HydrophobicContact CE2-CG 3.78Å; Y34-E259 WeakPolarHBondContact CE2-OE1 3.29Å; Y34-M265 HydrophobicContact CD1-CB 3.44Å; Y34-M265 VanDerWaalsContact CD1-CB 3.44Å; Y34-M265 HydrophobicContact CD1-CE 4.23Å; Y34-M265 HydrophobicContact CD1-CG 3.94Å; Y34-M265 HydrophobicContact CD2-CE 3.96Å; Y34-M265 HydrophobicContact CD2-CG 4.16Å; Y34-M265 HydrophobicContact CE1-CB 3.26Å; Y34-M265 HydrophobicContact CE1-CG 3.67Å; Y34-M265 HydrophobicContact CE2-CB 4.42Å; Y34-M265 HydrophobicContact CE2-CG 3.91Å; Y34-M265 HydrophobicContact CG-CB 4.12Å; Y34-M265 HydrophobicContact CG-CE 3.75Å; Y34-M265 HydrophobicContact CG-CG 4.17Å
35T98.3Very high97.7Very high0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-67.4-35.8-178.163.80000112N27 E30 N32 S37 W38 Q39N27-T35 HydrophobicContact CB-CG2 3.83Å; N27-T35 WeakPolarHBondContact O-CG2 3.32Å; E30-T35 PolarHBondContact O-OG1 3.07Å; N32-T35 PolarHBondContact N-OG1 2.96Å; N32-T35 PolarHBondContact O-OG1 3.4Å; N32-T35 PolarHBondContact OD1-N 3.46Å; T35-S37 VanDerWaalsContact C-N 3.33Å; T35-W38 HydrophobicContact CG2-CE3 4.13Å; T35-W38 HydrophobicContact CG2-CH2 4.41Å; T35-W38 HydrophobicContact CG2-CZ3 3.83Å; T35-W38 PolarHBondContact O-N 2.77Å; T35-Q39 WeakPolarHBondContact O-CG 3.39Å; T35-Q39 PolarHBondContact O-N 3.3Å
36R98.7Very high97.7Very high133 Ų13356.2 Ų56.250%0.50228%0.284SS..Hα-helixtrans-64.6-35.2170.2-69.8171.5-174.3164.34.3112.5D31 N32 Y34 K40D31-R36 VanDerWaalsContact CG-NH2 3.32Å; D31-R36 WeakPolarHBondContact OD1-CG 3.27Å; D31-R36 IonicContact OD1-CZ 2.77Å; D31-R36 IonicContact OD1-NE 2.68Å; D31-R36 PolarHBondContact OD1-NE 3.25Å; D31-R36 IonicContact OD1-NH2 3.91Å; D31-R36 PolarHBondContact OD1-NH2 3.34Å; D31-R36 IonicContact OD2-CZ 3.88Å; D31-R36 IonicContact OD2-NE 2.95Å; D31-R36 PolarHBondContact OD2-NE 3.01Å; D31-R36 IonicContact OD2-NH2 3.02Å; D31-R36 PolarHBondContact OD2-NH2 2.72Å; N32-R36 WeakPolarHBondContact O-CB 3.49Å; N32-R36 WeakPolarHBondContact O-CD 3.49Å; N32-R36 WeakPolarHBondContact O-CG 3.2Å; N32-R36 PolarHBondContact O-N 3.06Å; Y34-R36 VanDerWaalsContact C-N 3.34Å; Y34-R36 PolarHBondContact O-N 3.49Å; R36-K40 WeakPolarHBondContact O-CB 3.44Å; R36-K40 PolarHBondContact O-N 2.71Å
37S98.5Very high97.8Very high15 Ų1560.3 Ų60.311%0.10530%0.297CS..Hα-helixtrans-66.5-42.1174.2-172.20000111.6L33 Y34 T35 K40 L41 P254L33-S37 WeakPolarHBondContact O-CB 3.45Å; L33-S37 PolarHBondContact O-N 3.22Å; L33-S37 VanDerWaalsContact O-N 3.1Å; Y34-S37 WeakPolarHBondContact O-CA 3.33Å; Y34-S37 WeakPolarHBondContact O-CB 3.4Å; Y34-S37 PolarHBondContact O-N 3.24Å; T35-S37 VanDerWaalsContact C-N 3.33Å; S37-K40 WeakPolarHBondContact O-CB 3.4Å; S37-K40 PolarHBondContact O-N 3.26Å; S37-L41 WeakPolarHBondContact O-CG 3.34Å; S37-L41 PolarHBondContact O-N 3.25Å; S37-P254 PolarHBondContact OG-O 2.57Å
38W98.6Very high97.8Very high1 Ų160.4 Ų60.40%0.00430%0.298CS..Hα-helixtrans-64.4-42.7175.9-52-26.1000111.7G21 N27 Y34 T35 K40 L41 G42 V126 K129 M130 M265G21-W38 VanDerWaalsContact O-CZ2 3.29Å; G21-W38 WeakPolarHBondContact O-CZ2 3.24Å; N27-W38 HydrophobicContact CB-CH2 3.78Å; N27-W38 HydrophobicContact CB-CZ3 3.83Å; Y34-W38 PolarHBondContact O-N 3.14Å; T35-W38 HydrophobicContact CG2-CE3 4.13Å; T35-W38 HydrophobicContact CG2-CH2 4.41Å; T35-W38 HydrophobicContact CG2-CZ3 3.83Å; T35-W38 PolarHBondContact O-N 2.77Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 2.77Å; W38-L41 WeakPolarHBondContact O-CB 3.24Å; W38-L41 PolarHBondContact O-N 3.33Å; W38-L41 VanDerWaalsContact O-N 3.16Å; W38-G42 PolarHBondContact O-N 3.46Å; W38-V126 HydrophobicContact CD2-CG1 4.37Å; W38-V126 HydrophobicContact CE3-CB 4.34Å; W38-V126 HydrophobicContact CE3-CG1 4.17Å; W38-V126 HydrophobicContact CH2-CG1 4.09Å; W38-V126 HydrophobicContact CZ2-CG1 4.28Å; W38-V126 HydrophobicContact CZ3-CG1 4.01Å; W38-K129 HydrophobicContact CB-CB 4.02Å; W38-K129 HydrophobicContact CE3-CB 4.15Å; W38-K129 HydrophobicContact CE3-CG 3.95Å; W38-M130 HydrophobicContact CB-CG 4.1Å; W38-M130 WeakPolarHBondContact O-CG 3.44Å; W38-M265 HydrophobicContact CH2-CE 4.31Å; W38-M265 HydrophobicContact CZ2-CE 3.95Å
39Q98.5Very high97.8Very high75 Ų7565.6 Ų65.635%0.3532%0.321SS..Hα-helixtrans-55.8-45.4171-74.6171.6-10.600111.6T35 L41 G42 M43 K129T35-Q39 WeakPolarHBondContact O-CG 3.39Å; T35-Q39 PolarHBondContact O-N 3.3Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 3.24Å; Q39-G42 PolarHBondContact O-N 3.49Å; Q39-M43 WeakPolarHBondContact O-CG 3.43Å; Q39-M43 PolarHBondContact O-N 3.21Å; Q39-K129 WeakPolarHBondContact CA-O 3.32Å; Q39-K129 HydrophobicContact CG-CB 4.15Å; Q39-K129 VanDerWaalsContact CG-O 3.23Å; Q39-K129 WeakPolarHBondContact CG-O 3.48Å
40K98.6Very high97.9Very high131 Ų13162.3 Ų62.357%0.5730%0.304SS*.Hα-helixtrans-60.1-41.5176.9-174.5-178.4175.8-172.50112.2R36 S37 W38 M43 T44R36-K40 WeakPolarHBondContact O-CB 3.44Å; R36-K40 PolarHBondContact O-N 2.71Å; S37-K40 WeakPolarHBondContact O-CB 3.4Å; S37-K40 PolarHBondContact O-N 3.26Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 2.77Å; K40-M43 HydrophobicContact CB-CE 4.43Å; K40-M43 PolarHBondContact O-N 2.97Å; K40-T44 HydrophobicContact CG-CG2 4.17Å; K40-T44 WeakPolarHBondContact O-CB 3.32Å; K40-T44 VanDerWaalsContact O-CG2 3.3Å; K40-T44 WeakPolarHBondContact O-CG2 3.43Å; K40-T44 PolarHBondContact O-N 2.88Å; K40-T44 PolarHBondContact O-OG1 2.98Å
41L98.5Very high98Very high8 Ų858.6 Ų58.64%0.04229%0.287CS..Hα-helixtrans-59.3-48.5174.3-69171.2000110.9L20 S37 W38 Q39 M43 T44 L45 M130 P254L20-L41 HydrophobicContact CD2-CD1 3.88Å; S37-L41 WeakPolarHBondContact O-CG 3.34Å; S37-L41 PolarHBondContact O-N 3.25Å; W38-L41 WeakPolarHBondContact O-CB 3.24Å; W38-L41 PolarHBondContact O-N 3.33Å; W38-L41 VanDerWaalsContact O-N 3.16Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 3.24Å; L41-M43 PolarHBondContact O-N 3.09Å; L41-T44 PolarHBondContact O-N 3.04Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 2.89Å; L41-L45 HydrophobicContact CB-CD1 4.06Å; L41-L45 HydrophobicContact CB-CG 4.47Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CD2-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.14Å; L41-M130 HydrophobicContact CB-CE 4.17Å; L41-P254 HydrophobicContact CD1-CB 4.1Å; L41-P254 HydrophobicContact CD1-CG 4.2Å; L41-P254 HydrophobicContact CD2-CB 4.02Å; L41-P254 HydrophobicContact CD2-CG 3.94Å; L41-P254 HydrophobicContact CG-CB 4.32Å
42G97.9Very high98.1Very high14 Ų1454 Ų5414%0.14426%0.263CS..Hα-helixtrans-58.3-3317700000114.6W38 Q39 M130W38-G42 PolarHBondContact O-N 3.46Å; Q39-G42 PolarHBondContact O-N 3.49Å; G42-M130 WeakPolarHBondContact CA-O 3.18Å
43M97.7Very high98.2Very high148 Ų14852.7 Ų52.773%0.72926%0.256SS*.Hα-helixtrans-81.9-21.6177.3-67.7-175.9-66.200114.6Q39 K40 L41Q39-M43 WeakPolarHBondContact O-CG 3.43Å; Q39-M43 PolarHBondContact O-N 3.21Å; K40-M43 HydrophobicContact CB-CE 4.43Å; K40-M43 PolarHBondContact O-N 2.97Å; L41-M43 PolarHBondContact O-N 3.09Å
44T96.9Very high98.2Very high91 Ų9147.3 Ų47.356%0.55823%0.228SC*.Hα-helixtrans-111.4-28.6-169.253.70000113.9K40 L41K40-T44 HydrophobicContact CG-CG2 4.17Å; K40-T44 WeakPolarHBondContact O-CB 3.32Å; K40-T44 VanDerWaalsContact O-CG2 3.3Å; K40-T44 WeakPolarHBondContact O-CG2 3.43Å; K40-T44 PolarHBondContact O-N 2.88Å; K40-T44 PolarHBondContact O-OG1 2.98Å; L41-T44 PolarHBondContact O-N 3.04Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 2.89Å
45L97.2Very high98.2Very high21 Ų2146 Ų4611%0.1122%0.222CC..SBendtrans-75.4152.3177.8-63.6179.5000111.2P16 L18 L41 R47 M130 M168P16-L45 HydrophobicContact CB-CD2 4.46Å; P16-L45 HydrophobicContact CG-CB 4.44Å; P16-L45 HydrophobicContact CG-CD1 3.92Å; P16-L45 HydrophobicContact CG-CD2 4.07Å; P16-L45 HydrophobicContact CG-CG 4.35Å; L18-L45 HydrophobicContact CD1-CD1 3.73Å; L18-L45 HydrophobicContact CD2-CD1 4.05Å; L18-L45 HydrophobicContact CG-CD1 4.39Å; L41-L45 HydrophobicContact CB-CD1 4.06Å; L41-L45 HydrophobicContact CB-CG 4.47Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CD2-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.14Å; L45-R47 PolarHBondContact O-N 2.77Å; L45-M130 HydrophobicContact CD1-CE 4.46Å; L45-M168 HydrophobicContact CD1-SD 4.26Å
46P96.4Very high98.3Very high57 Ų5746 Ų4637%0.3722%0.223SC..PPolyproline II helixtrans-57.7138.8169.726.2-34.5000110.1M15 P48M15-P46 HydrophobicContact CE-CB 4.27Å; M15-P46 HydrophobicContact SD-CB 4.13Å; M15-P46 HydrophobicContact SD-CG 3.84Å; P46-P48 WeakPolarHBondContact O-CD 3.37Å
47R97.4Very high98.2Very high130 Ų13041.7 Ų41.749%0.49121%0.208SC..PPolyproline II helixtrans-69.9119.9176.6-177.5176.2167.987.2-0.1109.5L45 D135 I136L45-R47 PolarHBondContact O-N 2.77Å; R47-D135 IonicContact CZ-OD1 3.48Å; R47-D135 IonicContact CZ-OD2 3.58Å; R47-D135 VanDerWaalsContact CZ-OD2 3.24Å; R47-D135 IonicContact NH1-OD1 3.5Å; R47-D135 PolarHBondContact NH1-OD1 2.75Å; R47-D135 IonicContact NH1-OD2 3.69Å; R47-D135 PolarHBondContact NH1-OD2 3.01Å; R47-D135 PolarHBondContact NH2-O 3.07Å; R47-D135 VanDerWaalsContact NH2-O 3.08Å; R47-D135 IonicContact NH2-OD1 3.47Å; R47-D135 PolarHBondContact NH2-OD1 2.69Å; R47-D135 IonicContact NH2-OD2 2.71Å; R47-D135 PolarHBondContact NH2-OD2 3.33Å; R47-I136 HydrophobicContact CG-CD1 4.21Å; R47-I136 VanDerWaalsContact CZ-CG1 3.45Å; R47-I136 VanDerWaalsContact NH1-CG1 3.32Å
48P98.3Very high98.2Very high5 Ų541.6 Ų41.63%0.03221%0.206CC..PPolyproline II helixtrans-78161.2-179.734.5-38.5000112.2M15 P46 A50 I51 Y131 I136 G166 M168M15-P48 HydrophobicContact CG-CB 4.41Å; M15-P48 HydrophobicContact SD-CB 4.01Å; P46-P48 WeakPolarHBondContact O-CD 3.37Å; P48-A50 WeakPolarHBondContact CB-O 3.5Å; P48-I51 HydrophobicContact CG-CD1 4.31Å; P48-I51 HydrophobicContact CG-CG1 3.85Å; P48-Y131 WeakPolarHBondContact CD-OH 3.36Å; P48-I136 HydrophobicContact CG-CD1 4.19Å; P48-I136 HydrophobicContact CG-CG2 4.14Å; P48-G166 WeakPolarHBondContact CA-O 3.36Å; P48-G166 WeakPolarHBondContact CB-O 3.27Å; P48-M168 HydrophobicContact CB-CB 3.65Å; P48-M168 HydrophobicContact CG-CB 3.88Å; P48-M168 HydrophobicContact CG-CE 3.82Å
49Q98.3Very high98.2Very high122 Ų12245 Ų4557%0.5722%0.221SC*.SBendtrans-72.6-33.6171.5-63.1-171.77.200111.9P137 G166Q49-P137 WeakPolarHBondContact O-CD 3.19Å; Q49-G166 PolarHBondContact N-O 2.99Å
50A98.8Very high98.2Very high5 Ų543.3 Ų43.34%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-160.6169.3172.700000110.3P48 L97 P137 I167 M168P48-A50 WeakPolarHBondContact CB-O 3.5Å; A50-L97 HydrophobicContact CB-CD2 3.71Å; A50-P137 CarbonylContact C-O 3.42Å; A50-P137 WeakPolarHBondContact CA-O 3.23Å; A50-P137 HydrophobicContact CB-CB 4.02Å; A50-P137 VanDerWaalsContact CB-O 3.24Å; A50-P137 WeakPolarHBondContact CB-O 3.36Å; A50-I167 HydrophobicContact CB-CD1 3.84Å; A50-I167 WeakPolarHBondContact O-CA 3.45Å; A50-M168 PolarHBondContact O-N 2.95Å
51I98.9Very high98.2Very high2 Ų248.1 Ų48.11%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-121.9130.2-179.8-55175.6000109.7P48 V53 L127 Y131 I136 P137 M138 V139 M168 V170P48-I51 HydrophobicContact CG-CD1 4.31Å; P48-I51 HydrophobicContact CG-CG1 3.85Å; I51-V53 HydrophobicContact CG2-CG2 3.62Å; I51-L127 HydrophobicContact CD1-CD1 4.41Å; I51-L127 HydrophobicContact CD1-CD2 3.79Å; I51-Y131 HydrophobicContact CD1-CD2 3.93Å; I51-Y131 HydrophobicContact CD1-CE2 3.81Å; I51-I136 HydrophobicContact CD1-CB 4.48Å; I51-I136 HydrophobicContact CD1-CD1 4.48Å; I51-I136 HydrophobicContact CD1-CG2 3.97Å; I51-I136 HydrophobicContact CG1-CG2 3.76Å; I51-P137 PolarHBondContact N-O 3.43Å; I51-M138 HydrophobicContact CB-CB 4.05Å; I51-M138 CarbonylContact O-C 3.56Å; I51-M138 WeakPolarHBondContact O-CA 3.47Å; I51-M138 WeakPolarHBondContact O-CB 3.34Å; I51-V139 PolarHBondContact O-N 3.38Å; I51-M168 WeakPolarHBondContact CA-O 3.33Å; I51-M168 HydrophobicContact CD1-CE 3.74Å; I51-M168 HydrophobicContact CG1-CE 4Å; I51-V170 HydrophobicContact CG2-CB 3.9Å; I51-V170 HydrophobicContact CG2-CG2 3.62Å
52V98.9Very high98.1Very high2 Ų249 Ų491%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-96.5120.6163.8175.30000107.7L97 L101 V139 L141 L162 I167 M168 L169 V170V52-L97 HydrophobicContact CG2-CD1 4.32Å; V52-L97 HydrophobicContact CG2-CD2 3.91Å; V52-L97 HydrophobicContact CG2-CG 4.27Å; V52-L101 HydrophobicContact CG1-CD1 4.26Å; V52-L101 HydrophobicContact CG1-CD2 4.49Å; V52-L101 HydrophobicContact CG2-CD1 4.06Å; V52-L101 HydrophobicContact CG2-CD2 4.46Å; V52-V139 WeakPolarHBondContact CA-O 3.44Å; V52-V139 HydrophobicContact CG2-CG2 3.91Å; V52-L141 HydrophobicContact CG1-CB 4.19Å; V52-L162 HydrophobicContact CG2-CD1 3.98Å; V52-I167 HydrophobicContact CB-CG2 4.47Å; V52-I167 HydrophobicContact CG2-CG2 3.74Å; V52-M168 PolarHBondContact N-O 2.78Å; V52-L169 HydrophobicContact CB-CD2 3.93Å; V52-L169 HydrophobicContact CG1-CD2 4.48Å; V52-V170 PolarHBondContact O-N 3.3Å
53V98.9Very high98.2Very high0 Ų048.6 Ų48.60%024%0.236CC..EExtended strand (participates in β ladder)trans-105126.3180-171.80000112.4I51 L127 M138 V139 Q140 L141 V170I51-V53 HydrophobicContact CG2-CG2 3.62Å; V53-L127 HydrophobicContact CG2-CD1 3.81Å; V53-M138 HydrophobicContact CB-CE 4.34Å; V53-M138 HydrophobicContact CG2-CE 3.77Å; V53-V139 PolarHBondContact N-O 3.3Å; V53-Q140 HydrophobicContact CB-CG 4.29Å; V53-Q140 CarbonylContact O-C 3.56Å; V53-Q140 VanDerWaalsContact O-CA 3.23Å; V53-Q140 WeakPolarHBondContact O-CA 3.47Å; V53-L141 PolarHBondContact O-N 3.02Å; V53-V170 CarbonylContact C-O 3.57Å; V53-V170 WeakPolarHBondContact CA-O 3.23Å; V53-V170 HydrophobicContact CG2-CB 4.37Å
54V98.9Very high98.2Very high5 Ų541.9 Ų41.93%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-107.397.9168.5-174.10000108.3L141 I143 V170 A171 S172 P237 Y240V54-L141 HydrophobicContact CG2-CB 4.25Å; V54-L141 HydrophobicContact CG2-CD2 4.15Å; V54-I143 HydrophobicContact CG1-CD1 4.08Å; V54-I143 HydrophobicContact CG1-CG1 3.65Å; V54-V170 PolarHBondContact N-O 3.12Å; V54-A171 HydrophobicContact CB-CB 4.14Å; V54-A171 CarbonylContact O-C 3.38Å; V54-A171 WeakPolarHBondContact O-CA 3.47Å; V54-S172 PolarHBondContact O-N 2.74Å; V54-P237 HydrophobicContact CG1-CB 4.49Å; V54-Y240 HydrophobicContact CB-CG 4.46Å; V54-Y240 HydrophobicContact CG1-CD1 4.36Å; V54-Y240 HydrophobicContact CG1-CD2 3.8Å; V54-Y240 HydrophobicContact CG1-CE1 4.4Å; V54-Y240 HydrophobicContact CG1-CE2 3.85Å; V54-Y240 HydrophobicContact CG1-CG 4.05Å; V54-Y240 HydrophobicContact CG2-CD1 3.92Å; V54-Y240 HydrophobicContact CG2-CE1 4.34Å; V54-Y240 HydrophobicContact CG2-CG 4.06Å
55S98.8Very high98.3Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-94.9138.3179.9176.90000111.1H57 W58 D120 G122 Q140 I143S55-H57 PolarHBondContact O-N 2.83Å; S55-H57 PolarHBondContact OG-N 3.28Å; S55-W58 PolarHBondContact O-N 3.05Å; S55-D120 WeakPolarHBondContact CB-OD1 3.33Å; S55-D120 WeakPolarHBondContact CB-OD2 3.38Å; S55-D120 VanDerWaalsContact OG-CG 3.28Å; S55-D120 PolarHBondContact OG-OD1 3.13Å; S55-D120 PolarHBondContact OG-OD2 3.22Å; S55-G122 WeakPolarHBondContact OG-CA 3.26Å; S55-Q140 VanDerWaalsContact CB-NE2 3.28Å; S55-I143 WeakPolarHBondContact O-CD1 3.48Å
56A98.6Very high98.4Very high1 Ų136.6 Ų36.61%0.00817%0.173CC..THydrogen-bonded Turntrans-53.9-22.5170.700000113.7S172 E233 H234 P237A56-S172 WeakPolarHBondContact CB-O 3.22Å; A56-S172 PolarHBondContact N-O 3.17Å; A56-E233 WeakPolarHBondContact CA-O 3.25Å; A56-E233 VanDerWaalsContact CB-O 3.27Å; A56-E233 WeakPolarHBondContact CB-O 3.31Å; A56-H234 HydrophobicContact CB-CB 4.35Å; A56-P237 HydrophobicContact CB-CG 4.15Å
57H98.5Very high98.5Very high43 Ų4334.3 Ų34.320%0.19916%0.159CC..THydrogen-bonded Turntrans-83.5-23.3-173.6-71.9-96.2000113.4H22 S55 F59 D76 W117 D120 H121 H234H22-H57 AromaticContact CE1-CD2 3.5Å; H22-H57 AromaticContact CE1-NE2 3.29Å; H22-H57 PolarHBondContact CE1-NE2 2.69Å; H22-H57 VanDerWaalsContact CE1-NE2 3.29Å; H22-H57 AromaticContact NE2-NE2 3.46Å; H22-H57 PolarHBondContact NE2-NE2 3.27Å; S55-H57 PolarHBondContact O-N 2.83Å; S55-H57 PolarHBondContact OG-N 3.28Å; H57-F59 PolarHBondContact O-N 3.32Å; H57-D76 VanDerWaalsContact CB-OD2 3.28Å; H57-D76 WeakPolarHBondContact CB-OD2 3.42Å; H57-D76 IonicContact CE1-OD2 2.81Å; H57-D76 IonicContact CG-OD2 3.52Å; H57-D76 IonicContact ND1-OD2 3.21Å; H57-D76 PolarHBondContact ND1-OD2 3.39Å; H57-W117 HydrophobicContact CB-CZ2 4.46Å; H57-W117 VanDerWaalsContact O-CH2 3.32Å; H57-W117 WeakPolarHBondContact O-CH2 3.17Å; H57-W117 VanDerWaalsContact O-CZ2 3.22Å; H57-W117 WeakPolarHBondContact O-CZ2 3.27Å; H57-D120 HydrophobicContact CB-CB 4.01Å; H57-H121 AromaticContact CD2-CE1 3.97Å; H57-H121 AromaticContact CE1-CE1 2.9Å; H57-H121 PolarHBondContact CE1-CE1 3.18Å; H57-H121 AromaticContact CE1-ND1 3.8Å; H57-H121 AromaticContact CE1-NE2 3.43Å; H57-H121 PolarHBondContact CE1-NE2 3.16Å; H57-H121 AromaticContact CG-CE1 3.84Å; H57-H121 AromaticContact ND1-CE1 3.14Å; H57-H121 PolarHBondContact ND1-CE1 3.27Å; H57-H121 AromaticContact ND1-ND1 3.62Å; H57-H121 AromaticContact NE2-CE1 3.45Å; H57-H121 PolarHBondContact NE2-CE1 2.9Å; H57-H121 AromaticContact NE2-NE2 3.57Å; H57-H234 AromaticContact NE2-CE1 3.9Å; H57-H234 AromaticContact NE2-NE2 3.36Å; H57-H234 PolarHBondContact NE2-NE2 3.43Å
58W98.6Very high98.5Very high13 Ų1329.4 Ų29.45%0.04914%0.142CC..  trans-93.569.4175.2-157.821.6000112S55 T60 T66 D113 W117 Q140 S142 I143S55-W58 PolarHBondContact O-N 3.05Å; W58-T60 VanDerWaalsContact CD1-CG2 3.49Å; W58-T60 HydrophobicContact CG-CG2 4.33Å; W58-T66 HydrophobicContact CH2-CG2 3.74Å; W58-T66 HydrophobicContact CZ3-CG2 3.72Å; W58-D113 HydrophobicContact CH2-CB 4Å; W58-D113 HydrophobicContact CZ2-CB 4.01Å; W58-W117 HydrophobicContact CB-CD2 4.41Å; W58-W117 HydrophobicContact CB-CZ2 3.84Å; W58-W117 AromaticContact CD1-CD1 3.77Å; W58-W117 AromaticContact CD1-CD2 3.2Å; W58-W117 AromaticContact CD1-CE2 3.27Å; W58-W117 AromaticContact CD1-CE3 3.61Å; W58-W117 AromaticContact CD1-CG 3.56Å; W58-W117 AromaticContact CD1-CZ2 3.74Å; W58-W117 AromaticContact CD1-NE1 3.63Å; W58-W117 HydrophobicContact CD2-CB 4.3Å; W58-W117 AromaticContact CD2-CD1 3.4Å; W58-W117 VanDerWaalsContact CD2-CD1 3.4Å; W58-W117 HydrophobicContact CD2-CD2 4.16Å; W58-W117 AromaticContact CD2-CG 3.71Å; W58-W117 HydrophobicContact CD2-CG 3.71Å; W58-W117 AromaticContact CD2-NE1 3.71Å; W58-W117 AromaticContact CE2-CD1 3.63Å; W58-W117 AromaticContact CE2-CD2 3.97Å; W58-W117 AromaticContact CE2-CG 3.43Å; W58-W117 VanDerWaalsContact CE2-CG 3.43Å; W58-W117 AromaticContact CE3-CD1 3.85Å; W58-W117 HydrophobicContact CE3-CG 4.46Å; W58-W117 AromaticContact CG-CD1 3.53Å; W58-W117 AromaticContact CG-CD2 3.73Å; W58-W117 HydrophobicContact CG-CD2 3.73Å; W58-W117 AromaticContact CG-CE2 3.43Å; W58-W117 VanDerWaalsContact CG-CE2 3.43Å; W58-W117 AromaticContact CG-CG 3.81Å; W58-W117 HydrophobicContact CG-CG 3.81Å; W58-W117 HydrophobicContact CG-CZ2 4Å; W58-W117 AromaticContact CG-NE1 3.31Å; W58-W117 VanDerWaalsContact CG-NE1 3.31Å; W58-W117 HydrophobicContact CH2-CB 4.36Å; W58-W117 HydrophobicContact CZ2-CB 3.63Å; W58-W117 AromaticContact CZ2-CG 3.98Å; W58-W117 HydrophobicContact CZ2-CG 3.98Å; W58-W117 AromaticContact NE1-CD1 3.83Å; W58-W117 AromaticContact NE1-CD2 3.36Å; W58-W117 AromaticContact NE1-CE2 3.92Å; W58-W117 AromaticContact NE1-CE3 3.72Å; W58-W117 AromaticContact NE1-CG 3.33Å; W58-W117 VanDerWaalsContact NE1-CG 3.33Å; W58-Q140 HydrophobicContact CE3-CB 3.62Å; W58-Q140 HydrophobicContact CZ3-CB 3.77Å; W58-Q140 WeakPolarHBondContact CZ3-O 3.42Å; W58-S142 CarbonylContact O-C 3.5Å; W58-S142 WeakPolarHBondContact O-CA 3.2Å; W58-S142 WeakPolarHBondContact O-CB 3.12Å; W58-I143 PolarHBondContact O-N 2.94Å
59F98.3Very high98.5Very high73 Ų7336.2 Ų36.232%0.3217%0.173SC..EExtended strand (participates in β ladder)trans-100.7103.4-177.8-167.6-129.5000110.9H57 I143 S145 P232 E233 L236H57-F59 PolarHBondContact O-N 3.32Å; F59-I143 HydrophobicContact CD2-CB 3.79Å; F59-I143 HydrophobicContact CD2-CG2 3.53Å; F59-I143 HydrophobicContact CE2-CB 4.41Å; F59-I143 HydrophobicContact CE2-CG2 3.65Å; F59-S145 VanDerWaalsContact CE1-CB 3.46Å; F59-P232 HydrophobicContact CZ-CG 3.84Å; F59-E233 HydrophobicContact CB-CB 4.1Å; F59-E233 HydrophobicContact CD1-CB 3.93Å; F59-E233 HydrophobicContact CD2-CB 3.89Å; F59-E233 HydrophobicContact CE1-CB 4.25Å; F59-E233 HydrophobicContact CE2-CB 4.2Å; F59-E233 HydrophobicContact CG-CB 3.74Å; F59-E233 HydrophobicContact CZ-CB 4.37Å; F59-L236 HydrophobicContact CE2-CD1 4.05Å
60T98.3Very high98.5Very high39 Ų3936.1 Ų36.124%0.23918%0.181CC..EExtended strand (participates in β ladder)trans-120.6168-168.258.30000112.6W58 G62 S142 I143 D144 S145W58-T60 VanDerWaalsContact CD1-CG2 3.49Å; W58-T60 HydrophobicContact CG-CG2 4.33Å; T60-G62 PolarHBondContact OG1-O 3.19Å; T60-S142 WeakPolarHBondContact OG1-CB 3.17Å; T60-S142 PolarHBondContact OG1-OG 3.16Å; T60-I143 PolarHBondContact N-O 3.47Å; T60-D144 CarbonylContact O-C 3.56Å; T60-D144 WeakPolarHBondContact O-CA 3.2Å; T60-S145 WeakPolarHBondContact O-CB 3.42Å; T60-S145 PolarHBondContact O-N 2.67Å; T60-S145 PolarHBondContact O-OG 2.98Å
61R97.4Very high98.4Very high231 Ų23136.2 Ų36.287%0.87218%0.182SC*.SBendtrans-89.9109.1166.5-174.6177.2-179.8176.40.3108.6
62G98Very high98.4Very high27 Ų2739.2 Ų39.228%0.27820%0.201SC..SBendtrans90.9171.2-166.700000112.5T60 S142 D144T60-G62 PolarHBondContact OG1-O 3.19Å; G62-S142 PolarHBondContact O-OG 2.94Å; G62-D144 VanDerWaalsContact CA-CG 3.45Å; G62-D144 WeakPolarHBondContact CA-OD2 3.44Å; G62-D144 VanDerWaalsContact N-CG 3.3Å; G62-D144 PolarHBondContact N-OD1 3.32Å
63T98.6Very high98.4Very high5 Ų540.1 Ų40.13%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-98.8126.8-178.2-52.60000110.9V110 T111 L141 W151 M155T63-V110 HydrophobicContact CG2-CG1 4.44Å; T63-V110 HydrophobicContact CG2-CG2 4.04Å; T63-V110 WeakPolarHBondContact O-CA 3.48Å; T63-T111 PolarHBondContact O-N 3.37Å; T63-L141 HydrophobicContact CG2-CD1 3.48Å; T63-L141 VanDerWaalsContact CG2-CD1 3.48Å; T63-W151 WeakPolarHBondContact OG1-CH2 3.43Å; T63-M155 HydrophobicContact CG2-CE 4.22Å
64G98.5Very high98.3Very high7 Ų742 Ų427%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-122.3154.9176.700000111.8T111 L141 S142G64-T111 CarbonylContact C-O 3.53Å; G64-T111 VanDerWaalsContact CA-O 3.27Å; G64-T111 WeakPolarHBondContact CA-O 3.48Å; G64-L141 WeakPolarHBondContact O-CA 3.37Å; G64-S142 PolarHBondContact N-OG 3.38Å; G64-S142 PolarHBondContact O-N 3.42Å
65V98.8Very high98.2Very high0 Ų044.1 Ų44.10%023%0.226CC..EExtended strand (participates in β ladder)trans-136.5130.7174.2174.70000109.6A67 A98 L101 V110 T111 D113 V139 Q140 L141V65-A67 PolarHBondContact O-N 2.99Å; V65-A98 HydrophobicContact CG1-CB 3.67Å; V65-L101 HydrophobicContact CG1-CD1 3.7Å; V65-L101 HydrophobicContact CG2-CB 4.2Å; V65-L101 HydrophobicContact CG2-CD1 3.96Å; V65-V110 HydrophobicContact CB-CG1 4.16Å; V65-V110 HydrophobicContact CG2-CG1 3.55Å; V65-T111 PolarHBondContact N-O 3.23Å; V65-D113 PolarHBondContact O-N 2.94Å; V65-V139 HydrophobicContact CG1-CB 4.19Å; V65-V139 HydrophobicContact CG1-CG2 4.3Å; V65-Q140 VanDerWaalsContact CA-O 3.27Å; V65-Q140 WeakPolarHBondContact CA-O 3.34Å; V65-L141 HydrophobicContact CG2-CB 4.44Å; V65-L141 HydrophobicContact CG2-CD1 3.45Å; V65-L141 VanDerWaalsContact CG2-CD1 3.45Å
66T98.7Very high98.1Very high1 Ų146.6 Ų46.61%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-65.2129.4175.356.40000109.8W58 D113 G118 V139 Q140W58-T66 HydrophobicContact CH2-CG2 3.74Å; W58-T66 HydrophobicContact CZ3-CG2 3.72Å; T66-D113 CarbonylContact C-O 3.5Å; T66-G118 WeakPolarHBondContact CG2-O 3.36Å; T66-V139 WeakPolarHBondContact O-CG1 3.36Å; T66-V139 WeakPolarHBondContact OG1-CA 3.38Å; T66-Q140 HydrophobicContact CG2-CB 4.06Å; T66-Q140 PolarHBondContact N-O 3.4Å; T66-Q140 VanDerWaalsContact N-O 3.13Å; T66-Q140 PolarHBondContact OG1-N 2.95Å
67A98.4Very high98Very high9 Ų947.8 Ų47.87%0.07424%0.244CC..  trans-130.320.1-171.600000113.2V65 A98 L112 D113 K114V65-A67 PolarHBondContact O-N 2.99Å; A67-A98 HydrophobicContact CB-CB 3.76Å; A67-L112 HydrophobicContact CB-CB 3.94Å; A67-L112 HydrophobicContact CB-CD2 3.9Å; A67-L112 HydrophobicContact CB-CG 4.45Å; A67-D113 PolarHBondContact N-O 3.31Å; A67-K114 HydrophobicContact CB-CG 4.12Å
68M98.3Very high97.8Very high28 Ų2848.5 Ų48.514%0.13826%0.263CS..  trans-80.3152172.1-67.7167.1-100.400110.8P71 G93 K114M68-P71 HydrophobicContact CB-CB 4.36Å; M68-P71 HydrophobicContact CB-CG 3.9Å; M68-G93 VanDerWaalsContact O-CA 3.28Å; M68-G93 WeakPolarHBondContact O-CA 3.45Å; M68-K114 VanDerWaalsContact CG-C 3.41Å; M68-K114 WeakPolarHBondContact CG-O 3.46Å
69E98.1Very high97.6Very high148 Ų14852 Ų5269%0.69230%0.302SS*.SBendtrans-75-32.2167.8-69.4-175.9176.500111.9G93 P95E69-G93 PolarHBondContact O-N 3.33Å; E69-P95 HydrophobicContact CG-CG 3.63Å
70T97.9Very high97.5Very high120 Ų12051.1 Ų51.174%0.73630%0.299SS*.SBendtrans-130.572.9178.7580000110.2
71P98Very high97.4Very high7 Ų752.4 Ų52.45%0.04531%0.308CS..PPolyproline II helixtrans-60138.8177-19.832.9000110.8M68 G93 F119M68-P71 HydrophobicContact CB-CB 4.36Å; M68-P71 HydrophobicContact CB-CG 3.9Å; P71-G93 VanDerWaalsContact CD-N 3.32Å; P71-F119 HydrophobicContact CB-CD1 4.01Å; P71-F119 HydrophobicContact CB-CD2 4.21Å; P71-F119 HydrophobicContact CB-CE1 3.69Å; P71-F119 HydrophobicContact CB-CE2 3.89Å; P71-F119 HydrophobicContact CB-CG 4.28Å; P71-F119 HydrophobicContact CB-CZ 3.63Å; P71-F119 HydrophobicContact CG-CD1 4.47Å; P71-F119 HydrophobicContact CG-CE1 3.66Å; P71-F119 HydrophobicContact CG-CE2 3.95Å; P71-F119 HydrophobicContact CG-CZ 3.35Å
72P97.7Very high97.5Very high64 Ų6447.2 Ų47.242%0.41629%0.293SS..PPolyproline II helixtrans-70.3146175.628.7-34000111I74 G118 F119P72-I74 HydrophobicContact CG-CG2 4.45Å; P72-G118 CarbonylContact O-C 3.51Å; P72-G118 VanDerWaalsContact O-CA 3.27Å; P72-G118 WeakPolarHBondContact O-CA 3.36Å; P72-F119 PolarHBondContact O-N 3.48Å
73T98.4Very high97.4Very high22 Ų2248.2 Ų48.214%0.13530%0.299CS..BIsolated β-bridgetrans-69.1127.9160.1-52.90000108.3Y89 W124T73-Y89 PolarHBondContact OG1-N 3.14Å; T73-Y89 PolarHBondContact OG1-O 2.8Å; T73-W124 HydrophobicContact CG2-CD2 4.02Å; T73-W124 HydrophobicContact CG2-CG 3.98Å; T73-W124 HydrophobicContact CG2-CZ2 4.45Å
74I97.8Very high97.4Very high38 Ų3848 Ų4820%0.19530%0.297CS..  trans-111.6144.7174.366.8164.1000111.3P72 D76 W117 F119 D120 W124P72-I74 HydrophobicContact CG-CG2 4.45Å; I74-D76 HydrophobicContact CD1-CB 4.33Å; I74-W117 HydrophobicContact CD1-CD2 4.01Å; I74-W117 HydrophobicContact CD1-CE3 4.34Å; I74-W117 HydrophobicContact CD1-CH2 4.39Å; I74-W117 HydrophobicContact CD1-CZ2 4.05Å; I74-W117 VanDerWaalsContact CD1-O 3.26Å; I74-W117 WeakPolarHBondContact CD1-O 3.42Å; I74-W117 WeakPolarHBondContact CG2-O 3.28Å; I74-F119 VanDerWaalsContact CG1-O 3.25Å; I74-F119 WeakPolarHBondContact CG1-O 3.49Å; I74-F119 PolarHBondContact N-O 3.38Å; I74-D120 HydrophobicContact CD1-CB 3.91Å; I74-D120 HydrophobicContact CG1-CB 4.02Å; I74-W124 PolarHBondContact O-NE1 3.3Å
75H97.8Very high97.4Very high51 Ų5150.9 Ų50.924%0.23631%0.307CS..  trans-108.279.7177.6-53.492.9000109.5F77 L84 Y85 T87 W124H75-F77 HydrophobicContact CB-CE1 4.43Å; H75-F77 HydrophobicContact CB-CE2 4.22Å; H75-F77 HydrophobicContact CB-CZ 4.05Å; H75-F77 AromaticContact CD2-CZ 3.81Å; H75-F77 PolarHBondContact O-N 2.91Å; H75-F77 VanDerWaalsContact O-N 3.11Å; H75-L84 PolarHBondContact CD2-O 2.93Å; H75-L84 VanDerWaalsContact CD2-O 3.32Å; H75-L84 PolarHBondContact NE2-O 3.21Å; H75-Y85 HydrophobicContact CB-CD1 3.83Å; H75-Y85 HydrophobicContact CB-CE1 4.09Å; H75-Y85 PolarHBondContact CE1-O 3.11Å; H75-Y85 PolarHBondContact NE2-O 2.99Å; H75-T87 PolarHBondContact NE2-O 3.48Å; H75-W124 AromaticContact CD2-CZ2 3.85Å
76D96.6Very high97.3Very high52 Ų5255.5 Ų55.528%0.27833%0.332SS..  trans-84.236.4-176.463.3-54000113.2H57 I74 H121H57-D76 VanDerWaalsContact CB-OD2 3.28Å; H57-D76 WeakPolarHBondContact CB-OD2 3.42Å; H57-D76 IonicContact CE1-OD2 2.81Å; H57-D76 IonicContact CG-OD2 3.52Å; H57-D76 IonicContact ND1-OD2 3.21Å; H57-D76 PolarHBondContact ND1-OD2 3.39Å; I74-D76 HydrophobicContact CD1-CB 4.33Å; D76-H121 IonicContact OD1-CE1 3.24Å; D76-H121 IonicContact OD1-CG 3.84Å; D76-H121 PolarHBondContact OD1-N 3.46Å; D76-H121 IonicContact OD1-ND1 3.07Å; D76-H121 PolarHBondContact OD1-ND1 3.22Å; D76-H121 IonicContact OD2-CE1 2.84Å; D76-H121 IonicContact OD2-ND1 3.35Å; D76-H121 PolarHBondContact OD2-ND1 2.96Å
77F95.7Very high97.3Very high26 Ų2656.7 Ų56.711%0.11434%0.339CS..  trans-136.2158.7178.350.8-109.7000112.2P25 H75 F80 L84 Y85 H121 W124P25-F77 HydrophobicContact CB-CD1 3.94Å; P25-F77 HydrophobicContact CB-CE1 4.14Å; P25-F77 HydrophobicContact CB-CG 4.2Å; P25-F77 HydrophobicContact CG-CB 4.09Å; P25-F77 HydrophobicContact CG-CD1 3.95Å; P25-F77 HydrophobicContact CG-CG 4.06Å; H75-F77 HydrophobicContact CB-CE1 4.43Å; H75-F77 HydrophobicContact CB-CE2 4.22Å; H75-F77 HydrophobicContact CB-CZ 4.05Å; H75-F77 AromaticContact CD2-CZ 3.81Å; H75-F77 PolarHBondContact O-N 2.91Å; H75-F77 VanDerWaalsContact O-N 3.11Å; F77-F80 HydrophobicContact CB-CD2 3.95Å; F77-F80 HydrophobicContact CB-CE2 3.98Å; F77-F80 HydrophobicContact CD2-CB 4.19Å; F77-F80 AromaticContact CD2-CD2 3.64Å; F77-F80 HydrophobicContact CD2-CD2 3.64Å; F77-F80 HydrophobicContact CD2-CE2 4.46Å; F77-F80 HydrophobicContact CD2-CG 4.2Å; F77-F80 HydrophobicContact CE2-CB 4.32Å; F77-F80 HydrophobicContact CE2-CD2 4.48Å; F77-F80 HydrophobicContact CG-CD2 4.02Å; F77-F80 HydrophobicContact CG-CE2 4.42Å; F77-L84 HydrophobicContact CE2-CB 3.95Å; F77-L84 HydrophobicContact CZ-CB 3.98Å; F77-Y85 HydrophobicContact CD2-CE1 4.09Å; F77-Y85 HydrophobicContact CE2-CD1 4.23Å; F77-Y85 AromaticContact CE2-CE1 3.88Å; F77-Y85 HydrophobicContact CE2-CE1 3.88Å; F77-Y85 HydrophobicContact CE2-CE2 4.41Å; F77-Y85 AromaticContact CE2-CZ 3.98Å; F77-Y85 PolarHBondContact O-OH 3.21Å; F77-H121 HydrophobicContact CD1-CB 3.64Å; F77-H121 AromaticContact CD1-CG 3.57Å; F77-H121 AromaticContact CD1-ND1 3.66Å; F77-H121 HydrophobicContact CE1-CB 3.54Å; F77-H121 AromaticContact CE1-CG 4Å; F77-W124 AromaticContact CE1-CH2 3.95Å; F77-W124 HydrophobicContact CE1-CH2 3.95Å; F77-W124 AromaticContact CE1-CZ2 3.67Å; F77-W124 HydrophobicContact CE1-CZ2 3.67Å; F77-W124 HydrophobicContact CZ-CH2 4.11Å; F77-W124 HydrophobicContact CZ-CZ2 4.08Å
78G94.8Very high97.2Very high57 Ų5762.1 Ų62.159%0.58836%0.362SS*.  trans-128.5151.2-178.400000112.9F80 Y85G78-F80 VanDerWaalsContact O-CD2 3.23Å; G78-F80 WeakPolarHBondContact O-CD2 3.4Å; G78-F80 WeakPolarHBondContact O-CE2 3.49Å; G78-Y85 WeakPolarHBondContact CA-OH 3.4Å
79G94.1Very high97.2Very high86 Ų8661 Ų6189%0.88736%0.357SS*.SBendtrans83.614171.500000115.5
80F95.8Very high97.2Very high56 Ų5658.8 Ų58.825%0.24636%0.355CS..  trans-99.8163.6-178.2-73.9-78.6000113P25 M26 F77 G78 L84 Y85P25-F80 HydrophobicContact CB-CD1 4.26Å; P25-F80 HydrophobicContact CB-CD2 4.33Å; P25-F80 HydrophobicContact CB-CE1 4.06Å; P25-F80 HydrophobicContact CB-CE2 4.14Å; P25-F80 HydrophobicContact CB-CG 4.41Å; P25-F80 HydrophobicContact CB-CZ 4.01Å; P25-F80 VanDerWaalsContact CD-CZ 3.5Å; P25-F80 HydrophobicContact CG-CD2 4.25Å; P25-F80 HydrophobicContact CG-CE1 4.13Å; P25-F80 HydrophobicContact CG-CE2 3.64Å; P25-F80 HydrophobicContact CG-CZ 3.58Å; M26-F80 HydrophobicContact CG-CD1 3.85Å; M26-F80 HydrophobicContact CG-CE1 3.85Å; M26-F80 HydrophobicContact SD-CD1 3.9Å; F77-F80 HydrophobicContact CB-CD2 3.95Å; F77-F80 HydrophobicContact CB-CE2 3.98Å; F77-F80 HydrophobicContact CD2-CB 4.19Å; F77-F80 AromaticContact CD2-CD2 3.64Å; F77-F80 HydrophobicContact CD2-CD2 3.64Å; F77-F80 HydrophobicContact CD2-CE2 4.46Å; F77-F80 HydrophobicContact CD2-CG 4.2Å; F77-F80 HydrophobicContact CE2-CB 4.32Å; F77-F80 HydrophobicContact CE2-CD2 4.48Å; F77-F80 HydrophobicContact CG-CD2 4.02Å; F77-F80 HydrophobicContact CG-CE2 4.42Å; G78-F80 VanDerWaalsContact O-CD2 3.23Å; G78-F80 WeakPolarHBondContact O-CD2 3.4Å; G78-F80 WeakPolarHBondContact O-CE2 3.49Å; F80-L84 HydrophobicContact CB-CD1 3.61Å; F80-L84 HydrophobicContact CD1-CD1 3.7Å; F80-L84 HydrophobicContact CG-CD1 3.8Å; F80-Y85 HydrophobicContact CB-CE2 4.34Å; F80-Y85 WeakPolarHBondContact O-CE2 3.37Å
81P96.8Very high97.3Very high65 Ų6553.2 Ų53.242%0.42232%0.321SS..  trans-61.6150.2176.4-23.434.5000113.4M26 A83 L84M26-P81 HydrophobicContact CE-CG 4.39Å; M26-P81 HydrophobicContact SD-CG 3.94Å; P81-A83 PolarHBondContact O-N 3.15Å; P81-A83 VanDerWaalsContact O-N 3.11Å; P81-L84 WeakPolarHBondContact O-CB 3.45Å; P81-L84 PolarHBondContact O-N 2.93Å
82Q98Very high97.3Very high122 Ų12255.2 Ų55.257%0.5733%0.334SS*.Hα-helixtrans-53.2-35.4179.2-173.958.946.100113.3L84 Y85 D86Q82-L84 PolarHBondContact O-N 3.37Å; Q82-L84 VanDerWaalsContact O-N 3.1Å; Q82-Y85 CarbonylContact O-C 3.58Å; Q82-Y85 WeakPolarHBondContact O-CA 3.49Å; Q82-Y85 WeakPolarHBondContact O-CB 3.19Å; Q82-Y85 PolarHBondContact O-N 3.19Å; Q82-D86 PolarHBondContact NE2-OD1 3.32Å; Q82-D86 PolarHBondContact O-N 2.88Å
83A97.9Very high97.3Very high48 Ų4852.7 Ų52.740%0.39732%0.319SS..Hα-helixtrans-56.3-28.917800000113.7L29 P81 T87L29-A83 HydrophobicContact CD1-CB 3.73Å; L29-A83 HydrophobicContact CD2-CB 4.39Å; P81-A83 PolarHBondContact O-N 3.15Å; P81-A83 VanDerWaalsContact O-N 3.11Å; A83-T87 PolarHBondContact O-N 3.33Å; A83-T87 PolarHBondContact O-OG1 3.1Å
84L97.4Very high97.4Very high0 Ų052.7 Ų52.70%032%0.321CS..Hα-helixtrans-71.8-41172.8-81.8174.1000112.2P25 M26 V28 L29 H75 F77 F80 P81 Q82 D86 T87P25-L84 HydrophobicContact CB-CD1 4.06Å; P25-L84 WeakPolarHBondContact O-CD2 3.17Å; M26-L84 HydrophobicContact SD-CD1 3.7Å; V28-L84 HydrophobicContact CB-CD2 3.57Å; V28-L84 HydrophobicContact CG1-CD2 3.81Å; V28-L84 HydrophobicContact CG2-CD2 4.22Å; L29-L84 HydrophobicContact CD1-CD2 4.11Å; L29-L84 HydrophobicContact CD1-CG 3.75Å; L29-L84 HydrophobicContact CD2-CD2 4.31Å; L29-L84 HydrophobicContact CG-CD2 3.71Å; L29-L84 HydrophobicContact CG-CG 3.95Å; H75-L84 PolarHBondContact CD2-O 2.93Å; H75-L84 VanDerWaalsContact CD2-O 3.32Å; H75-L84 PolarHBondContact NE2-O 3.21Å; F77-L84 HydrophobicContact CE2-CB 3.95Å; F77-L84 HydrophobicContact CZ-CB 3.98Å; F80-L84 HydrophobicContact CB-CD1 3.61Å; F80-L84 HydrophobicContact CD1-CD1 3.7Å; F80-L84 HydrophobicContact CG-CD1 3.8Å; P81-L84 WeakPolarHBondContact O-CB 3.45Å; P81-L84 PolarHBondContact O-N 2.93Å; Q82-L84 PolarHBondContact O-N 3.37Å; Q82-L84 VanDerWaalsContact O-N 3.1Å; L84-D86 VanDerWaalsContact C-N 3.26Å; L84-D86 PolarHBondContact O-N 3.33Å; L84-T87 WeakPolarHBondContact O-CB 3.07Å; L84-T87 PolarHBondContact O-N 2.96Å
85Y97.9Very high97.4Very high68 Ų6853.3 Ų53.327%0.26733%0.327SS..Hα-helixtrans-68.8-26.2175.7-64.4-78.2000112.6H75 F77 G78 F80 Q82 T87H75-Y85 HydrophobicContact CB-CD1 3.83Å; H75-Y85 HydrophobicContact CB-CE1 4.09Å; H75-Y85 PolarHBondContact CE1-O 3.11Å; H75-Y85 PolarHBondContact NE2-O 2.99Å; F77-Y85 HydrophobicContact CD2-CE1 4.09Å; F77-Y85 HydrophobicContact CE2-CD1 4.23Å; F77-Y85 AromaticContact CE2-CE1 3.88Å; F77-Y85 HydrophobicContact CE2-CE1 3.88Å; F77-Y85 HydrophobicContact CE2-CE2 4.41Å; F77-Y85 AromaticContact CE2-CZ 3.98Å; F77-Y85 PolarHBondContact O-OH 3.21Å; G78-Y85 WeakPolarHBondContact CA-OH 3.4Å; F80-Y85 HydrophobicContact CB-CE2 4.34Å; F80-Y85 WeakPolarHBondContact O-CE2 3.37Å; Q82-Y85 CarbonylContact O-C 3.58Å; Q82-Y85 WeakPolarHBondContact O-CA 3.49Å; Q82-Y85 WeakPolarHBondContact O-CB 3.19Å; Q82-Y85 PolarHBondContact O-N 3.19Å; Y85-T87 VanDerWaalsContact C-N 3.32Å
86D97.9Very high97.4Very high98 Ų9854.5 Ų54.552%0.52435%0.346SS..THydrogen-bonded Turntrans-80.5-14.8174.8-60.9-20.5000112.5Q82 L84 H88Q82-D86 PolarHBondContact NE2-OD1 3.32Å; Q82-D86 PolarHBondContact O-N 2.88Å; L84-D86 VanDerWaalsContact C-N 3.26Å; L84-D86 PolarHBondContact O-N 3.33Å; D86-H88 PolarHBondContact O-ND1 3.09Å
87T97.9Very high97.5Very high25 Ų2552.5 Ų52.515%0.15334%0.335CS..  trans-74.7130.2179.5-61.10000110.4V28 H75 A83 L84 Y85 W124 I128V28-T87 HydrophobicContact CG1-CG2 3.85Å; H75-T87 PolarHBondContact NE2-O 3.48Å; A83-T87 PolarHBondContact O-N 3.33Å; A83-T87 PolarHBondContact O-OG1 3.1Å; L84-T87 WeakPolarHBondContact O-CB 3.07Å; L84-T87 PolarHBondContact O-N 2.96Å; Y85-T87 VanDerWaalsContact C-N 3.32Å; T87-W124 HydrophobicContact CG2-CZ3 3.95Å; T87-I128 HydrophobicContact CG2-CD1 3.53Å
88H97.5Very high97.7Very high124 Ų12451.3 Ų51.357%0.57433%0.33SS*.  trans-126.1145.5178-68.673.7000110D86D86-H88 PolarHBondContact O-ND1 3.09Å
89Y98.4Very high97.9Very high4 Ų452.4 Ų52.42%0.01632%0.32CS..  trans-130.485176.4-168.3-107.4000109.3T73 A91 W124 L127 I128 Y131 A134 M138T73-Y89 PolarHBondContact OG1-N 3.14Å; T73-Y89 PolarHBondContact OG1-O 2.8Å; Y89-A91 HydrophobicContact CD1-CB 3.99Å; Y89-A91 HydrophobicContact CE1-CB 3.73Å; Y89-A91 PolarHBondContact O-N 3.47Å; Y89-W124 HydrophobicContact CD1-CB 3.72Å; Y89-W124 HydrophobicContact CG-CB 3.86Å; Y89-L127 HydrophobicContact CE1-CB 3.86Å; Y89-L127 PolarHBondContact OH-O 2.93Å; Y89-I128 HydrophobicContact CD2-CB 3.73Å; Y89-I128 HydrophobicContact CD2-CD1 4.24Å; Y89-I128 HydrophobicContact CD2-CG1 3.79Å; Y89-I128 HydrophobicContact CE2-CB 3.99Å; Y89-I128 HydrophobicContact CE2-CG1 4.2Å; Y89-Y131 VanDerWaalsContact CE2-O 3.26Å; Y89-Y131 WeakPolarHBondContact CE2-O 3.29Å; Y89-Y131 PolarHBondContact OH-O 2.68Å; Y89-A134 HydrophobicContact CD1-CB 4.45Å; Y89-A134 HydrophobicContact CD2-CB 3.77Å; Y89-A134 HydrophobicContact CE1-CB 4.27Å; Y89-A134 HydrophobicContact CE2-CB 3.54Å; Y89-A134 HydrophobicContact CG-CB 4.22Å; Y89-M138 HydrophobicContact CD1-SD 4.49Å; Y89-M138 HydrophobicContact CE1-SD 4.15Å
90P97.8Very high98.1Very high101 Ų10152 Ų5266%0.65629%0.291SS*.  trans-83.451.8-168.936.2-37.9000112A134P90-A134 HydrophobicContact CG-CB 4.33Å
91A98.6Very high98.2Very high3 Ų349.4 Ų49.43%0.02528%0.28CS..  trans-63.7141.6175.200000110.6Y89 F119 A134 M138Y89-A91 HydrophobicContact CD1-CB 3.99Å; Y89-A91 HydrophobicContact CE1-CB 3.73Å; Y89-A91 PolarHBondContact O-N 3.47Å; A91-F119 HydrophobicContact CB-CE2 3.93Å; A91-F119 WeakPolarHBondContact O-CE2 3.42Å; A91-A134 WeakPolarHBondContact CA-O 3.41Å; A91-A134 HydrophobicContact CB-CB 4.37Å; A91-M138 HydrophobicContact CB-CG 3.87Å; A91-M138 HydrophobicContact CB-SD 3.96Å
92P98.7Very high98.3Very high50 Ų5048.1 Ų48.133%0.32527%0.271SS..  trans-65.5144.5173.221.5-24.6000109.8A134 P137 M138P92-A134 WeakPolarHBondContact CD-O 3.49Å; P92-P137 HydrophobicContact CG-CB 4.33Å; P92-P137 HydrophobicContact CG-CG 4.07Å; P92-P137 CarbonylContact O-C 3.57Å; P92-P137 WeakPolarHBondContact O-CA 3.44Å; P92-M138 PolarHBondContact O-N 3.2Å
93G98.7Very high98.3Very high10 Ų1047.6 Ų47.610%0.10327%0.268CS..  trans-79.6-179.9165.300000111.4M68 E69 P71 M138M68-G93 VanDerWaalsContact O-CA 3.28Å; M68-G93 WeakPolarHBondContact O-CA 3.45Å; E69-G93 PolarHBondContact O-N 3.33Å; P71-G93 VanDerWaalsContact CD-N 3.32Å; G93-M138 WeakPolarHBondContact CA-O 3.24Å
94S98.7Very high98.4Very high23 Ų2346.8 Ų46.816%0.16126%0.257CS..  trans-144.691.9174.8-178.80000111.4A96 L97 A98 V139S94-A96 PolarHBondContact O-N 2.95Å; S94-L97 PolarHBondContact O-N 3.45Å; S94-L97 VanDerWaalsContact O-N 3.16Å; S94-L97 VanDerWaalsContact OG-CB 3.24Å; S94-L97 WeakPolarHBondContact OG-CB 2.99Å; S94-L97 PolarHBondContact OG-N 3Å; S94-L97 VanDerWaalsContact OG-N 3.15Å; S94-A98 PolarHBondContact O-N 3.06Å; S94-V139 WeakPolarHBondContact O-CG1 3.26Å
95P98.6Very high98.4Very high50 Ų5046.8 Ų46.833%0.32526%0.257SS..Hα-helixtrans-56.9-32.6174.2-24.332.6000113E69 A98 Q99E69-P95 HydrophobicContact CG-CG 3.63Å; P95-A98 PolarHBondContact O-N 3.18Å; P95-Q99 PolarHBondContact O-N 3.4Å
96A98.6Very high98.4Very high76 Ų7646.1 Ų46.163%0.62827%0.266SS*.Hα-helixtrans-66.5-45.417600000112.1S94 A98 Q99 R100S94-A96 PolarHBondContact O-N 2.95Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-Q99 PolarHBondContact O-N 3.47Å; A96-R100 PolarHBondContact O-N 3.16Å
97L98.8Very high98.4Very high11 Ų1147.4 Ų47.46%0.05828%0.28CS..Hα-helixtrans-66.6-36174.5-179.458.4000111.5A50 V52 S94 Q99 R100 L101 V139 I167A50-L97 HydrophobicContact CB-CD2 3.71Å; V52-L97 HydrophobicContact CG2-CD1 4.32Å; V52-L97 HydrophobicContact CG2-CD2 3.91Å; V52-L97 HydrophobicContact CG2-CG 4.27Å; S94-L97 PolarHBondContact O-N 3.45Å; S94-L97 VanDerWaalsContact O-N 3.16Å; S94-L97 VanDerWaalsContact OG-CB 3.24Å; S94-L97 WeakPolarHBondContact OG-CB 2.99Å; S94-L97 PolarHBondContact OG-N 3Å; S94-L97 VanDerWaalsContact OG-N 3.15Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; L97-Q99 PolarHBondContact O-N 3.25Å; L97-R100 HydrophobicContact CD1-CB 4.46Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.1Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-V139 HydrophobicContact CB-CG1 4.4Å; L97-V139 HydrophobicContact CD2-CG1 4.4Å; L97-V139 HydrophobicContact CD2-CG2 3.72Å; L97-V139 HydrophobicContact CG-CG2 3.88Å; L97-I167 HydrophobicContact CD1-CD1 4.1Å; L97-I167 HydrophobicContact CD1-CG1 4.26Å; L97-I167 HydrophobicContact CD1-CG2 4.43Å; L97-I167 HydrophobicContact CD2-CD1 4.38Å; L97-I167 HydrophobicContact CD2-CG2 4.29Å
98A98.8Very high98.4Very high0 Ų047.9 Ų47.90%028%0.281CS..Hα-helixtrans-60.9-43.6174.500000111.6V65 A67 S94 P95 A96 L101 V102 L112 V139V65-A98 HydrophobicContact CG1-CB 3.67Å; A67-A98 HydrophobicContact CB-CB 3.76Å; S94-A98 PolarHBondContact O-N 3.06Å; P95-A98 PolarHBondContact O-N 3.18Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A98-L101 WeakPolarHBondContact O-CB 3.49Å; A98-L101 PolarHBondContact O-N 2.84Å; A98-V102 PolarHBondContact O-N 2.86Å; A98-L112 HydrophobicContact CB-CD2 3.72Å; A98-V139 HydrophobicContact CB-CG1 4.46Å
99Q98.6Very high98.4Very high81 Ų8147.2 Ų47.238%0.37929%0.288SS..Hα-helixtrans-65.1-39.9173.7-174.457.15300112P95 A96 L97 L101 V102 E103P95-Q99 PolarHBondContact O-N 3.4Å; A96-Q99 PolarHBondContact O-N 3.47Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; L97-Q99 PolarHBondContact O-N 3.25Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 2.83Å; Q99-V102 WeakPolarHBondContact O-CB 3.36Å; Q99-V102 PolarHBondContact O-N 2.9Å; Q99-V102 VanDerWaalsContact O-N 3.15Å; Q99-E103 PolarHBondContact O-N 3.46Å; Q99-E103 VanDerWaalsContact O-N 3.13Å
100R98.6Very high98.4Very high78 Ų7848 Ų4829%0.29429%0.293SS..Hα-helixtrans-58.8-39.6174.8179.863.2-176.7134.62.4112A96 L97 E103 L104 L162 E165A96-R100 PolarHBondContact O-N 3.16Å; L97-R100 HydrophobicContact CD1-CB 4.46Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.1Å; R100-E103 PolarHBondContact O-N 2.93Å; R100-L104 VanDerWaalsContact O-CB 3.27Å; R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 PolarHBondContact O-N 3.05Å; R100-L162 HydrophobicContact CG-CD2 3.88Å; R100-E165 IonicContact CZ-OE1 2.69Å; R100-E165 IonicContact NE-OE1 2.62Å; R100-E165 PolarHBondContact NE-OE1 3.41Å; R100-E165 IonicContact NE-OE2 3.76Å; R100-E165 PolarHBondContact NE-OE2 3.35Å; R100-E165 IonicContact NH2-OE1 3.53Å; R100-E165 PolarHBondContact NH2-OE1 2.89Å
101L98.8Very high98.4Very high0 Ų047.9 Ų47.90%029%0.29CS..Hα-helixtrans-64.2-41174.7-79.9165.3000112.4V52 V65 L97 A98 Q99 E103 L104 L105 V139 L159 L162V52-L101 HydrophobicContact CG1-CD1 4.26Å; V52-L101 HydrophobicContact CG1-CD2 4.49Å; V52-L101 HydrophobicContact CG2-CD1 4.06Å; V52-L101 HydrophobicContact CG2-CD2 4.46Å; V65-L101 HydrophobicContact CG1-CD1 3.7Å; V65-L101 HydrophobicContact CG2-CB 4.2Å; V65-L101 HydrophobicContact CG2-CD1 3.96Å; L97-L101 PolarHBondContact O-N 2.86Å; A98-L101 WeakPolarHBondContact O-CB 3.49Å; A98-L101 PolarHBondContact O-N 2.84Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 2.83Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.48Å; L101-L104 PolarHBondContact O-N 3.23Å; L101-L105 HydrophobicContact CB-CD1 4.46Å; L101-L105 HydrophobicContact CD2-CD1 4.27Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.24Å; L101-L105 WeakPolarHBondContact O-CG 3.06Å; L101-L105 PolarHBondContact O-N 3.28Å; L101-V139 HydrophobicContact CD1-CG2 3.63Å; L101-L159 HydrophobicContact CD2-CD2 3.32Å; L101-L162 HydrophobicContact CD2-CD1 3.66Å; L101-L162 HydrophobicContact CG-CD1 4.34Å
102V98.7Very high98.4Very high38 Ų3850.2 Ų50.223%0.2330%0.302CS..Hα-helixtrans-58.2-45.4175.2174.80000110.9A98 Q99 A106 V110 L112A98-V102 PolarHBondContact O-N 2.86Å; Q99-V102 WeakPolarHBondContact O-CB 3.36Å; Q99-V102 PolarHBondContact O-N 2.9Å; Q99-V102 VanDerWaalsContact O-N 3.15Å; V102-A106 PolarHBondContact O-N 3.41Å; V102-V110 HydrophobicContact CG2-CB 4.04Å; V102-V110 HydrophobicContact CG2-CG1 3.99Å; V102-L112 HydrophobicContact CG2-CD2 3.69Å; V102-L112 HydrophobicContact CG2-CG 3.97Å
103E98.4Very high98.4Very high111 Ų11149 Ų4952%0.51929%0.293SS..Hα-helixtrans-67.5-45.1179.2-68.4168.7-168.100112.3Q99 R100 L101 L105 A106Q99-E103 PolarHBondContact O-N 3.46Å; Q99-E103 VanDerWaalsContact O-N 3.13Å; R100-E103 PolarHBondContact O-N 2.93Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.48Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.68Å; E103-A106 WeakPolarHBondContact O-CB 3.37Å; E103-A106 PolarHBondContact O-N 3.11Å
104L98.5Very high98.3Very high31 Ų3155 Ų5516%0.16232%0.316CS..Hα-helixtrans-65-36.8-178.6-178.866000112.5R100 L101 K158 L159 A161 L162R100-L104 VanDerWaalsContact O-CB 3.27Å; R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 PolarHBondContact O-N 3.05Å; L101-L104 PolarHBondContact O-N 3.23Å; L104-K158 WeakPolarHBondContact CD2-O 3.48Å; L104-L159 HydrophobicContact CD2-CD2 4.48Å; L104-A161 HydrophobicContact CD1-CB 4.07Å; L104-L162 HydrophobicContact CD2-CD1 3.85Å; L104-L162 HydrophobicContact CD2-CD2 3.76Å; L104-L162 HydrophobicContact CD2-CG 3.51Å
105L98.5Very high98.1Very high0 Ų062.1 Ų62.10%035%0.347CS..Hα-helixtrans-87.3-7-175.3-63.2173.6000113.2L101 E103 I108 V110 L141 M155 K158 L159L101-L105 HydrophobicContact CB-CD1 4.46Å; L101-L105 HydrophobicContact CD2-CD1 4.27Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.24Å; L101-L105 WeakPolarHBondContact O-CG 3.06Å; L101-L105 PolarHBondContact O-N 3.28Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.68Å; L105-I108 WeakPolarHBondContact O-CB 3.47Å; L105-I108 WeakPolarHBondContact O-CG1 3.37Å; L105-I108 PolarHBondContact O-N 3.14Å; L105-V110 HydrophobicContact CB-CG2 3.89Å; L105-V110 HydrophobicContact CD1-CG2 3.85Å; L105-L141 HydrophobicContact CD1-CD1 4.02Å; L105-M155 HydrophobicContact CD1-CE 3.63Å; L105-M155 HydrophobicContact CD2-CE 3.52Å; L105-M155 HydrophobicContact CD2-SD 3.94Å; L105-M155 HydrophobicContact CG-CE 4.07Å; L105-K158 HydrophobicContact CD2-CB 3.87Å; L105-K158 HydrophobicContact CD2-CD 3.99Å; L105-L159 HydrophobicContact CD2-CD2 4.37Å
106A98Very high97.8Very high54 Ų5463.6 Ų63.645%0.44636%0.363SS..THydrogen-bonded Turntrans-50.7142.417500000112V102 E103 I108V102-A106 PolarHBondContact O-N 3.41Å; E103-A106 WeakPolarHBondContact O-CB 3.37Å; E103-A106 PolarHBondContact O-N 3.11Å; A106-I108 VanDerWaalsContact C-N 3.34Å
107P97.3Very high97.7Very high126 Ų12663 Ų6382%0.81835%0.345SS*.THydrogen-bonded Turncis-86.714.56.737.1-37.7000114.6P109P107-P109 WeakPolarHBondContact O-CD 3.32Å
108I97.7Very high97.6Very high34 Ų3462.4 Ų62.417%0.17434%0.342CS..SBendtrans-67.5126.7178.9-58.7168.4000108.6L105 A106 V110 W151 M155 K158L105-I108 WeakPolarHBondContact O-CB 3.47Å; L105-I108 WeakPolarHBondContact O-CG1 3.37Å; L105-I108 PolarHBondContact O-N 3.14Å; A106-I108 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.07Å; I108-W151 HydrophobicContact CD1-CZ2 3.96Å; I108-W151 HydrophobicContact CG2-CZ2 3.97Å; I108-M155 HydrophobicContact CD1-SD 3.37Å; I108-M155 WeakPolarHBondContact CD1-SD 3.44Å; I108-K158 HydrophobicContact CD1-CD 4.44Å
109P97.7Very high97.6Very high111 Ų11162.4 Ų62.472%0.72134%0.342SS*.  trans-64.9122.8173.7-19.932.5000110.5P107P107-P109 WeakPolarHBondContact O-CD 3.32Å
110V98.6Very high97.6Very high20 Ų2058.6 Ų58.612%0.12132%0.324CS..EExtended strand (participates in β ladder)trans-118.7121.3175.8177.90000109T63 V65 V102 L105 I108T63-V110 HydrophobicContact CG2-CG1 4.44Å; T63-V110 HydrophobicContact CG2-CG2 4.04Å; T63-V110 WeakPolarHBondContact O-CA 3.48Å; V65-V110 HydrophobicContact CB-CG1 4.16Å; V65-V110 HydrophobicContact CG2-CG1 3.55Å; V102-V110 HydrophobicContact CG2-CB 4.04Å; V102-V110 HydrophobicContact CG2-CG1 3.99Å; L105-V110 HydrophobicContact CB-CG2 3.89Å; L105-V110 HydrophobicContact CD1-CG2 3.85Å; I108-V110 PolarHBondContact O-N 3.07Å
111T98.5Very high97.6Very high98 Ų9855.4 Ų55.460%0.60131%0.313SS*.EExtended strand (participates in β ladder)trans-82.6123.8176.3-620000110.1T63 G64 V65 D113T63-T111 PolarHBondContact O-N 3.37Å; G64-T111 CarbonylContact C-O 3.53Å; G64-T111 VanDerWaalsContact CA-O 3.27Å; G64-T111 WeakPolarHBondContact CA-O 3.48Å; V65-T111 PolarHBondContact N-O 3.23Å; T111-D113 PolarHBondContact O-N 3.26Å
112L98.6Very high97.5Very high53 Ų5355.4 Ų55.428%0.27731%0.313SS..EExtended strand (participates in β ladder)trans-76.1106.8167.6-66.2172.8000108.9A67 A98 V102 K114A67-L112 HydrophobicContact CB-CB 3.94Å; A67-L112 HydrophobicContact CB-CD2 3.9Å; A67-L112 HydrophobicContact CB-CG 4.45Å; A98-L112 HydrophobicContact CB-CD2 3.72Å; V102-L112 HydrophobicContact CG2-CD2 3.69Å; V102-L112 HydrophobicContact CG2-CG 3.97Å; L112-K114 PolarHBondContact O-N 2.9Å
113D98.1Very high97.5Very high25 Ų2553.6 Ų53.613%0.13430%0.302CS..EExtended strand (participates in β ladder)trans-82.6104.8173.3-176.2-2.3000109.9W58 V65 T66 A67 T111 E115 A116 W117W58-D113 HydrophobicContact CH2-CB 4Å; W58-D113 HydrophobicContact CZ2-CB 4.01Å; V65-D113 PolarHBondContact O-N 2.94Å; T66-D113 CarbonylContact C-O 3.5Å; A67-D113 PolarHBondContact N-O 3.31Å; T111-D113 PolarHBondContact O-N 3.26Å; D113-E115 PolarHBondContact OD1-N 2.98Å; D113-A116 WeakPolarHBondContact OD1-CB 3.47Å; D113-A116 PolarHBondContact OD1-N 3.48Å; D113-W117 VanDerWaalsContact OD2-CB 3.28Å; D113-W117 WeakPolarHBondContact OD2-CB 3.38Å; D113-W117 PolarHBondContact OD2-N 3.43Å
114K96.8Very high97.5Very high134 Ų13448.3 Ų48.358%0.58328%0.277SS*.SBendtrans-96.1-4.5-177.5-64.7-178.5179.7-177.30113.6A67 M68 L112A67-K114 HydrophobicContact CB-CG 4.12Å; M68-K114 VanDerWaalsContact CG-C 3.41Å; M68-K114 WeakPolarHBondContact CG-O 3.46Å; L112-K114 PolarHBondContact O-N 2.9Å
115E93.2Very high97.5Very high173 Ų17347.2 Ų47.281%0.80827%0.273SS*.SBendtrans-149.8-23.2-164.8-62.9-176.9179.300115.4D113D113-E115 PolarHBondContact OD1-N 2.98Å
116A93.3Very high97.5Very high82 Ų8247.2 Ų47.268%0.67827%0.273SS*.SBendtrans-100.8-58.8-161.200000115.4D113D113-A116 WeakPolarHBondContact OD1-CB 3.47Å; D113-A116 PolarHBondContact OD1-N 3.48Å
117W96.8Very high97.5Very high62 Ų6244.7 Ų44.724%0.23525%0.252CS..  trans-77.8-58.3-165.8-169.9-112.8000114.7H57 W58 I74 D113 D120H57-W117 HydrophobicContact CB-CZ2 4.46Å; H57-W117 VanDerWaalsContact O-CH2 3.32Å; H57-W117 WeakPolarHBondContact O-CH2 3.17Å; H57-W117 VanDerWaalsContact O-CZ2 3.22Å; H57-W117 WeakPolarHBondContact O-CZ2 3.27Å; W58-W117 HydrophobicContact CB-CD2 4.41Å; W58-W117 HydrophobicContact CB-CZ2 3.84Å; W58-W117 AromaticContact CD1-CD1 3.77Å; W58-W117 AromaticContact CD1-CD2 3.2Å; W58-W117 AromaticContact CD1-CE2 3.27Å; W58-W117 AromaticContact CD1-CE3 3.61Å; W58-W117 AromaticContact CD1-CG 3.56Å; W58-W117 AromaticContact CD1-CZ2 3.74Å; W58-W117 AromaticContact CD1-NE1 3.63Å; W58-W117 HydrophobicContact CD2-CB 4.3Å; W58-W117 AromaticContact CD2-CD1 3.4Å; W58-W117 VanDerWaalsContact CD2-CD1 3.4Å; W58-W117 HydrophobicContact CD2-CD2 4.16Å; W58-W117 AromaticContact CD2-CG 3.71Å; W58-W117 HydrophobicContact CD2-CG 3.71Å; W58-W117 AromaticContact CD2-NE1 3.71Å; W58-W117 AromaticContact CE2-CD1 3.63Å; W58-W117 AromaticContact CE2-CD2 3.97Å; W58-W117 AromaticContact CE2-CG 3.43Å; W58-W117 VanDerWaalsContact CE2-CG 3.43Å; W58-W117 AromaticContact CE3-CD1 3.85Å; W58-W117 HydrophobicContact CE3-CG 4.46Å; W58-W117 AromaticContact CG-CD1 3.53Å; W58-W117 AromaticContact CG-CD2 3.73Å; W58-W117 HydrophobicContact CG-CD2 3.73Å; W58-W117 AromaticContact CG-CE2 3.43Å; W58-W117 VanDerWaalsContact CG-CE2 3.43Å; W58-W117 AromaticContact CG-CG 3.81Å; W58-W117 HydrophobicContact CG-CG 3.81Å; W58-W117 HydrophobicContact CG-CZ2 4Å; W58-W117 AromaticContact CG-NE1 3.31Å; W58-W117 VanDerWaalsContact CG-NE1 3.31Å; W58-W117 HydrophobicContact CH2-CB 4.36Å; W58-W117 HydrophobicContact CZ2-CB 3.63Å; W58-W117 AromaticContact CZ2-CG 3.98Å; W58-W117 HydrophobicContact CZ2-CG 3.98Å; W58-W117 AromaticContact NE1-CD1 3.83Å; W58-W117 AromaticContact NE1-CD2 3.36Å; W58-W117 AromaticContact NE1-CE2 3.92Å; W58-W117 AromaticContact NE1-CE3 3.72Å; W58-W117 AromaticContact NE1-CG 3.33Å; W58-W117 VanDerWaalsContact NE1-CG 3.33Å; I74-W117 HydrophobicContact CD1-CD2 4.01Å; I74-W117 HydrophobicContact CD1-CE3 4.34Å; I74-W117 HydrophobicContact CD1-CH2 4.39Å; I74-W117 HydrophobicContact CD1-CZ2 4.05Å; I74-W117 VanDerWaalsContact CD1-O 3.26Å; I74-W117 WeakPolarHBondContact CD1-O 3.42Å; I74-W117 WeakPolarHBondContact CG2-O 3.28Å; D113-W117 VanDerWaalsContact OD2-CB 3.28Å; D113-W117 WeakPolarHBondContact OD2-CB 3.38Å; D113-W117 PolarHBondContact OD2-N 3.43Å; W117-D120 HydrophobicContact CZ2-CB 3.95Å; W117-D120 PolarHBondContact NE1-OD2 3.01Å
118G96.2Very high97.5Very high0 Ų040.4 Ų40.40%022%0.221CC..  trans81.5-156.6-169.900000113.1T66 P72 Q140T66-G118 WeakPolarHBondContact CG2-O 3.36Å; P72-G118 CarbonylContact O-C 3.51Å; P72-G118 VanDerWaalsContact O-CA 3.27Å; P72-G118 WeakPolarHBondContact O-CA 3.36Å; G118-Q140 PolarHBondContact O-OE1 3.03Å
119F98.4Very high97.6Very high0 Ų040.1 Ų40.10%022%0.219CC..BIsolated β-bridgetrans-103.7114.6175.9-61.4-30.2000110.4P71 P72 I74 A91 W124 M138 Q140P71-F119 HydrophobicContact CB-CD1 4.01Å; P71-F119 HydrophobicContact CB-CD2 4.21Å; P71-F119 HydrophobicContact CB-CE1 3.69Å; P71-F119 HydrophobicContact CB-CE2 3.89Å; P71-F119 HydrophobicContact CB-CG 4.28Å; P71-F119 HydrophobicContact CB-CZ 3.63Å; P71-F119 HydrophobicContact CG-CD1 4.47Å; P71-F119 HydrophobicContact CG-CE1 3.66Å; P71-F119 HydrophobicContact CG-CE2 3.95Å; P71-F119 HydrophobicContact CG-CZ 3.35Å; P72-F119 PolarHBondContact O-N 3.48Å; I74-F119 VanDerWaalsContact CG1-O 3.25Å; I74-F119 WeakPolarHBondContact CG1-O 3.49Å; I74-F119 PolarHBondContact N-O 3.38Å; A91-F119 HydrophobicContact CB-CE2 3.93Å; A91-F119 WeakPolarHBondContact O-CE2 3.42Å; F119-W124 PolarHBondContact O-NE1 2.94Å; F119-M138 HydrophobicContact CB-CE 4.36Å; F119-M138 HydrophobicContact CD1-CE 3.54Å; F119-M138 HydrophobicContact CD1-CG 4.49Å; F119-M138 HydrophobicContact CD1-SD 4.38Å; F119-M138 HydrophobicContact CD2-CE 4.13Å; F119-M138 HydrophobicContact CD2-CG 4.35Å; F119-M138 HydrophobicContact CD2-SD 4Å; F119-M138 HydrophobicContact CE1-CE 3.72Å; F119-M138 HydrophobicContact CE1-CG 3.8Å; F119-M138 HydrophobicContact CE1-SD 4.26Å; F119-M138 HydrophobicContact CE2-CE 4.29Å; F119-M138 HydrophobicContact CE2-CG 3.64Å; F119-M138 HydrophobicContact CE2-SD 3.87Å; F119-M138 HydrophobicContact CG-CE 3.76Å; F119-M138 HydrophobicContact CG-SD 4.25Å; F119-M138 HydrophobicContact CZ-CB 4.5Å; F119-M138 HydrophobicContact CZ-CE 4.09Å; F119-M138 HydrophobicContact CZ-CG 3.31Å; F119-M138 WeakPolarHBondContact CZ-O 3.46Å; F119-M138 HydrophobicContact CZ-SD 4Å; F119-Q140 VanDerWaalsContact CA-OE1 3.31Å; F119-Q140 HydrophobicContact CD1-CG 4.01Å
120D98.6Very high97.6Very high0 Ų035.2 Ų35.20%019%0.186CC..  trans-80.8164.5177.866.659.6000114S55 H57 I74 W117 G122 S123 W124 Q140S55-D120 WeakPolarHBondContact CB-OD1 3.33Å; S55-D120 WeakPolarHBondContact CB-OD2 3.38Å; S55-D120 VanDerWaalsContact OG-CG 3.28Å; S55-D120 PolarHBondContact OG-OD1 3.13Å; S55-D120 PolarHBondContact OG-OD2 3.22Å; H57-D120 HydrophobicContact CB-CB 4.01Å; I74-D120 HydrophobicContact CD1-CB 3.91Å; I74-D120 HydrophobicContact CG1-CB 4.02Å; W117-D120 HydrophobicContact CZ2-CB 3.95Å; W117-D120 PolarHBondContact NE1-OD2 3.01Å; D120-G122 VanDerWaalsContact C-N 3.25Å; D120-G122 PolarHBondContact O-N 3.15Å; D120-G122 WeakPolarHBondContact OD1-CA 3.19Å; D120-G122 PolarHBondContact OD1-N 3.16Å; D120-S123 PolarHBondContact N-OG 2.95Å; D120-S123 WeakPolarHBondContact O-CA 3.33Å; D120-S123 WeakPolarHBondContact O-CB 3.49Å; D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 PolarHBondContact O-OG 2.97Å; D120-S123 PolarHBondContact OD1-N 3.15Å; D120-S123 VanDerWaalsContact OD1-N 3.09Å; D120-W124 VanDerWaalsContact C-NE1 3.3Å; D120-W124 PolarHBondContact O-N 3.4Å; D120-W124 PolarHBondContact O-NE1 3.02Å; D120-Q140 VanDerWaalsContact CG-NE2 3.31Å; D120-Q140 PolarHBondContact OD1-NE2 3.2Å; D120-Q140 PolarHBondContact OD2-NE2 2.76Å; D120-Q140 PolarHBondContact OD2-OE1 3.2Å; D120-Q140 VanDerWaalsContact OD2-OE1 3.12Å
121H98.1Very high97.6Very high12 Ų1235 Ų356%0.05618%0.184CC..Hα-helixtrans-66.1-25.5-174.580.6-88000114.6H57 D76 F77 S123 W124 G125H57-H121 AromaticContact CD2-CE1 3.97Å; H57-H121 AromaticContact CE1-CE1 2.9Å; H57-H121 PolarHBondContact CE1-CE1 3.18Å; H57-H121 AromaticContact CE1-ND1 3.8Å; H57-H121 AromaticContact CE1-NE2 3.43Å; H57-H121 PolarHBondContact CE1-NE2 3.16Å; H57-H121 AromaticContact CG-CE1 3.84Å; H57-H121 AromaticContact ND1-CE1 3.14Å; H57-H121 PolarHBondContact ND1-CE1 3.27Å; H57-H121 AromaticContact ND1-ND1 3.62Å; H57-H121 AromaticContact NE2-CE1 3.45Å; H57-H121 PolarHBondContact NE2-CE1 2.9Å; H57-H121 AromaticContact NE2-NE2 3.57Å; D76-H121 IonicContact OD1-CE1 3.24Å; D76-H121 IonicContact OD1-CG 3.84Å; D76-H121 PolarHBondContact OD1-N 3.46Å; D76-H121 IonicContact OD1-ND1 3.07Å; D76-H121 PolarHBondContact OD1-ND1 3.22Å; D76-H121 IonicContact OD2-CE1 2.84Å; D76-H121 IonicContact OD2-ND1 3.35Å; D76-H121 PolarHBondContact OD2-ND1 2.96Å; F77-H121 HydrophobicContact CD1-CB 3.64Å; F77-H121 AromaticContact CD1-CG 3.57Å; F77-H121 AromaticContact CD1-ND1 3.66Å; F77-H121 HydrophobicContact CE1-CB 3.54Å; F77-H121 AromaticContact CE1-CG 4Å; H121-S123 PolarHBondContact O-N 2.71Å; H121-W124 VanDerWaalsContact CA-CE2 3.47Å; H121-W124 VanDerWaalsContact CA-NE1 3.31Å; H121-W124 HydrophobicContact CB-CH2 4.36Å; H121-W124 HydrophobicContact CB-CZ2 3.63Å; H121-G125 VanDerWaalsContact O-CA 3.25Å; H121-G125 WeakPolarHBondContact O-CA 3.43Å; H121-G125 PolarHBondContact O-N 3.44Å
122G97.6Very high97.6Very high0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-62.4-2917100000111S55 D120 S172S55-G122 WeakPolarHBondContact OG-CA 3.26Å; D120-G122 VanDerWaalsContact C-N 3.25Å; D120-G122 PolarHBondContact O-N 3.15Å; D120-G122 WeakPolarHBondContact OD1-CA 3.19Å; D120-G122 PolarHBondContact OD1-N 3.16Å; G122-S172 WeakPolarHBondContact O-CB 3.28Å; G122-S172 PolarHBondContact O-OG 3.12Å
123S98.3Very high97.6Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-86.2-66.6173.967.60000113.8D120 H121 G125 V126 L127 Q140D120-S123 PolarHBondContact N-OG 2.95Å; D120-S123 WeakPolarHBondContact O-CA 3.33Å; D120-S123 WeakPolarHBondContact O-CB 3.49Å; D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 PolarHBondContact O-OG 2.97Å; D120-S123 PolarHBondContact OD1-N 3.15Å; D120-S123 VanDerWaalsContact OD1-N 3.09Å; H121-S123 PolarHBondContact O-N 2.71Å; S123-G125 PolarHBondContact O-N 2.91Å; S123-V126 VanDerWaalsContact O-CG2 3.31Å; S123-V126 WeakPolarHBondContact O-CG2 3.28Å; S123-V126 PolarHBondContact O-N 3.3Å; S123-L127 WeakPolarHBondContact O-CG 3.38Å; S123-L127 PolarHBondContact O-N 2.88Å; S123-Q140 VanDerWaalsContact CB-NE2 3.3Å; S123-Q140 PolarHBondContact OG-NE2 3.28Å
124W98.4Very high97.6Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-69.4-25.4-172.662.2-102.5000112.3V28 T73 I74 H75 F77 T87 Y89 F119 D120 H121 V126 L127 I128V28-W124 HydrophobicContact CB-CZ3 4.25Å; V28-W124 HydrophobicContact CG1-CZ3 3.76Å; V28-W124 HydrophobicContact CG2-CE3 4.27Å; V28-W124 HydrophobicContact CG2-CH2 4.12Å; V28-W124 HydrophobicContact CG2-CZ3 3.53Å; T73-W124 HydrophobicContact CG2-CD2 4.02Å; T73-W124 HydrophobicContact CG2-CG 3.98Å; T73-W124 HydrophobicContact CG2-CZ2 4.45Å; I74-W124 PolarHBondContact O-NE1 3.3Å; H75-W124 AromaticContact CD2-CZ2 3.85Å; F77-W124 AromaticContact CE1-CH2 3.95Å; F77-W124 HydrophobicContact CE1-CH2 3.95Å; F77-W124 AromaticContact CE1-CZ2 3.67Å; F77-W124 HydrophobicContact CE1-CZ2 3.67Å; F77-W124 HydrophobicContact CZ-CH2 4.11Å; F77-W124 HydrophobicContact CZ-CZ2 4.08Å; T87-W124 HydrophobicContact CG2-CZ3 3.95Å; Y89-W124 HydrophobicContact CD1-CB 3.72Å; Y89-W124 HydrophobicContact CG-CB 3.86Å; F119-W124 PolarHBondContact O-NE1 2.94Å; D120-W124 VanDerWaalsContact C-NE1 3.3Å; D120-W124 PolarHBondContact O-N 3.4Å; D120-W124 PolarHBondContact O-NE1 3.02Å; H121-W124 VanDerWaalsContact CA-CE2 3.47Å; H121-W124 VanDerWaalsContact CA-NE1 3.31Å; H121-W124 HydrophobicContact CB-CH2 4.36Å; H121-W124 HydrophobicContact CB-CZ2 3.63Å; W124-V126 VanDerWaalsContact C-N 3.32Å; W124-V126 PolarHBondContact O-N 3.3Å; W124-L127 PolarHBondContact O-N 2.82Å; W124-I128 VanDerWaalsContact O-CB 3.27Å; W124-I128 WeakPolarHBondContact O-CB 3.37Å; W124-I128 VanDerWaalsContact O-CG2 3.31Å; W124-I128 WeakPolarHBondContact O-CG2 3.4Å; W124-I128 PolarHBondContact O-N 2.87Å
125G98.1Very high97.6Very high7 Ų734.4 Ų34.47%0.07219%0.19CC..Hα-helixtrans-67.5-31.2-176.500000113.9H121 S123 I128H121-G125 VanDerWaalsContact O-CA 3.25Å; H121-G125 WeakPolarHBondContact O-CA 3.43Å; H121-G125 PolarHBondContact O-N 3.44Å; S123-G125 PolarHBondContact O-N 2.91Å; G125-I128 WeakPolarHBondContact O-CG2 3.5Å
126V98.4Very high97.9Very high1 Ų126.3 Ų26.31%0.00615%0.152CC..Hα-helixtrans-87.3-39.3171.9-630000111.5L20 H22 W38 S123 W124 I128 K129 M130L20-V126 HydrophobicContact CB-CG1 4.27Å; L20-V126 HydrophobicContact CD1-CB 3.89Å; L20-V126 HydrophobicContact CD1-CG1 4.43Å; L20-V126 HydrophobicContact CD1-CG2 3.92Å; H22-V126 HydrophobicContact CB-CG1 3.84Å; W38-V126 HydrophobicContact CD2-CG1 4.37Å; W38-V126 HydrophobicContact CE3-CB 4.34Å; W38-V126 HydrophobicContact CE3-CG1 4.17Å; W38-V126 HydrophobicContact CH2-CG1 4.09Å; W38-V126 HydrophobicContact CZ2-CG1 4.28Å; W38-V126 HydrophobicContact CZ3-CG1 4.01Å; S123-V126 VanDerWaalsContact O-CG2 3.31Å; S123-V126 WeakPolarHBondContact O-CG2 3.28Å; S123-V126 PolarHBondContact O-N 3.3Å; W124-V126 VanDerWaalsContact C-N 3.32Å; W124-V126 PolarHBondContact O-N 3.3Å; V126-I128 PolarHBondContact O-N 3.42Å; V126-K129 PolarHBondContact O-N 3.42Å; V126-K129 VanDerWaalsContact O-N 3.16Å; V126-M130 PolarHBondContact O-N 2.79Å
127L98.7Very high98.2Very high1 Ų124.3 Ų24.31%0.00513%0.132CC..Hα-helixtrans-70.1-29.4-176.7-72.1177.2000113.4I51 V53 Y89 S123 W124 K129 M130 Y131 M138 V170I51-L127 HydrophobicContact CD1-CD1 4.41Å; I51-L127 HydrophobicContact CD1-CD2 3.79Å; V53-L127 HydrophobicContact CG2-CD1 3.81Å; Y89-L127 HydrophobicContact CE1-CB 3.86Å; Y89-L127 PolarHBondContact OH-O 2.93Å; S123-L127 WeakPolarHBondContact O-CG 3.38Å; S123-L127 PolarHBondContact O-N 2.88Å; W124-L127 PolarHBondContact O-N 2.82Å; L127-K129 PolarHBondContact O-N 3.04Å; L127-M130 HydrophobicContact CD2-SD 4.09Å; L127-M130 PolarHBondContact O-N 3.08Å; L127-M130 VanDerWaalsContact O-N 3.12Å; L127-Y131 HydrophobicContact CD2-CD2 4.26Å; L127-Y131 CarbonylContact O-C 3.49Å; L127-Y131 PolarHBondContact O-N 2.95Å; L127-M138 HydrophobicContact CD1-CE 3.95Å; L127-M138 HydrophobicContact CD1-SD 3.56Å; L127-M138 VanDerWaalsContact CD1-SD 3.56Å; L127-V170 HydrophobicContact CD2-CG1 4.5Å; L127-V170 HydrophobicContact CD2-CG2 4.41Å
128I98.5Very high98.3Very high35 Ų3521.4 Ų21.418%0.17912%0.121CC..Hα-helixtrans-61.6-25.2173.3-163167.7000112.6V28 T87 Y89 W124 G125 V126 P132V28-I128 HydrophobicContact CG1-CG2 4.37Å; T87-I128 HydrophobicContact CG2-CD1 3.53Å; Y89-I128 HydrophobicContact CD2-CB 3.73Å; Y89-I128 HydrophobicContact CD2-CD1 4.24Å; Y89-I128 HydrophobicContact CD2-CG1 3.79Å; Y89-I128 HydrophobicContact CE2-CB 3.99Å; Y89-I128 HydrophobicContact CE2-CG1 4.2Å; W124-I128 VanDerWaalsContact O-CB 3.27Å; W124-I128 WeakPolarHBondContact O-CB 3.37Å; W124-I128 VanDerWaalsContact O-CG2 3.31Å; W124-I128 WeakPolarHBondContact O-CG2 3.4Å; W124-I128 PolarHBondContact O-N 2.87Å; G125-I128 WeakPolarHBondContact O-CG2 3.5Å; V126-I128 PolarHBondContact O-N 3.42Å; I128-P132 WeakPolarHBondContact O-CA 3.38Å
129K98.4Very high98.4Very high29 Ų2921.4 Ų21.413%0.12612%0.121CC..Hα-helixtrans-83.8-37.3173.4-62.4-66.1-179172.20111.9N27 V28 E30 W38 Q39 V126 L127N27-K129 WeakPolarHBondContact O-CE 3.32Å; N27-K129 PolarHBondContact O-NZ 3.21Å; V28-K129 WeakPolarHBondContact O-CE 3.37Å; V28-K129 PolarHBondContact O-NZ 2.92Å; E30-K129 PolarHBondContact O-NZ 2.82Å; W38-K129 HydrophobicContact CB-CB 4.02Å; W38-K129 HydrophobicContact CE3-CB 4.15Å; W38-K129 HydrophobicContact CE3-CG 3.95Å; Q39-K129 WeakPolarHBondContact CA-O 3.32Å; Q39-K129 HydrophobicContact CG-CB 4.15Å; Q39-K129 VanDerWaalsContact CG-O 3.23Å; Q39-K129 WeakPolarHBondContact CG-O 3.48Å; V126-K129 PolarHBondContact O-N 3.42Å; V126-K129 VanDerWaalsContact O-N 3.16Å; L127-K129 PolarHBondContact O-N 3.04Å
130M98.5Very high98.4Very high7 Ų721.4 Ų21.43%0.03412%0.121CC..Hα-helixtrans-74.1-48.4179.9-66.3179.766.100112.6L18 L20 W38 L41 G42 L45 V126 L127 M168L18-M130 HydrophobicContact CD1-CE 3.48Å; L18-M130 VanDerWaalsContact CD1-CE 3.48Å; L18-M130 HydrophobicContact CD1-SD 4.29Å; L20-M130 HydrophobicContact CD1-SD 3.67Å; W38-M130 HydrophobicContact CB-CG 4.1Å; W38-M130 WeakPolarHBondContact O-CG 3.44Å; L41-M130 HydrophobicContact CB-CE 4.17Å; G42-M130 WeakPolarHBondContact CA-O 3.18Å; L45-M130 HydrophobicContact CD1-CE 4.46Å; V126-M130 PolarHBondContact O-N 2.79Å; L127-M130 HydrophobicContact CD2-SD 4.09Å; L127-M130 PolarHBondContact O-N 3.08Å; L127-M130 VanDerWaalsContact O-N 3.12Å; M130-M168 HydrophobicContact CE-CE 4.12Å
131Y98.5Very high98.4Very high15 Ų1521.4 Ų21.46%0.05912%0.121CC..  trans-131.876.2-174.9-57.3-66.1000109.5P48 I51 Y89 L127 D133 A134 I136 M168P48-Y131 WeakPolarHBondContact CD-OH 3.36Å; I51-Y131 HydrophobicContact CD1-CD2 3.93Å; I51-Y131 HydrophobicContact CD1-CE2 3.81Å; Y89-Y131 VanDerWaalsContact CE2-O 3.26Å; Y89-Y131 WeakPolarHBondContact CE2-O 3.29Å; Y89-Y131 PolarHBondContact OH-O 2.68Å; L127-Y131 HydrophobicContact CD2-CD2 4.26Å; L127-Y131 CarbonylContact O-C 3.49Å; L127-Y131 PolarHBondContact O-N 2.95Å; Y131-D133 PolarHBondContact O-N 2.84Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; Y131-A134 PolarHBondContact O-N 3.24Å; Y131-A134 VanDerWaalsContact O-N 3.12Å; Y131-I136 HydrophobicContact CD1-CD1 3.46Å; Y131-I136 VanDerWaalsContact CD1-CD1 3.46Å; Y131-I136 HydrophobicContact CD2-CD1 3.62Å; Y131-I136 HydrophobicContact CE1-CD1 3.64Å; Y131-I136 HydrophobicContact CE2-CD1 3.79Å; Y131-I136 HydrophobicContact CG-CD1 3.44Å; Y131-I136 VanDerWaalsContact CG-CD1 3.44Å; Y131-M168 HydrophobicContact CE2-CE 3.52Å; Y131-M168 WeakPolarHBondContact OH-CE 3.37Å
132P98Very high98.4Very high87 Ų8720.8 Ų20.857%0.56512%0.118SC*.THydrogen-bonded Turntrans-62.4-23.5-172.223.8-34.6000114.2I128 A134I128-P132 WeakPolarHBondContact O-CA 3.38Å; P132-A134 PolarHBondContact O-N 2.9Å
133D98.2Very high98.5Very high133 Ų13320.8 Ų20.871%0.71112%0.118SC*.THydrogen-bonded Turntrans-75.5-7179.2-63.5-29.2000113.6Y131 D135Y131-D133 PolarHBondContact O-N 2.84Å; Y131-D133 VanDerWaalsContact O-N 3.17Å; D133-D135 HydrophobicContact CB-CB 4.28Å; D133-D135 PolarHBondContact O-N 3.11Å; D133-D135 VanDerWaalsContact O-N 3.15Å
134A98.3Very high98.5Very high8 Ų821.2 Ų21.27%0.06612%0.12CC..  trans50.537.7-179.700000113.2Y89 P90 A91 P92 Y131 P132Y89-A134 HydrophobicContact CD1-CB 4.45Å; Y89-A134 HydrophobicContact CD2-CB 3.77Å; Y89-A134 HydrophobicContact CE1-CB 4.27Å; Y89-A134 HydrophobicContact CE2-CB 3.54Å; Y89-A134 HydrophobicContact CG-CB 4.22Å; P90-A134 HydrophobicContact CG-CB 4.33Å; A91-A134 WeakPolarHBondContact CA-O 3.41Å; A91-A134 HydrophobicContact CB-CB 4.37Å; P92-A134 WeakPolarHBondContact CD-O 3.49Å; Y131-A134 PolarHBondContact O-N 3.24Å; Y131-A134 VanDerWaalsContact O-N 3.12Å; P132-A134 PolarHBondContact O-N 2.9Å
135D98.2Very high98.5Very high71 Ų7123.7 Ų23.738%0.3814%0.138SC..  trans-108.313.5-168.672.8-24.1000113.1R47 D133R47-D135 IonicContact CZ-OD1 3.48Å; R47-D135 IonicContact CZ-OD2 3.58Å; R47-D135 VanDerWaalsContact CZ-OD2 3.24Å; R47-D135 IonicContact NH1-OD1 3.5Å; R47-D135 PolarHBondContact NH1-OD1 2.75Å; R47-D135 IonicContact NH1-OD2 3.69Å; R47-D135 PolarHBondContact NH1-OD2 3.01Å; R47-D135 PolarHBondContact NH2-O 3.07Å; R47-D135 VanDerWaalsContact NH2-O 3.08Å; R47-D135 IonicContact NH2-OD1 3.47Å; R47-D135 PolarHBondContact NH2-OD1 2.69Å; R47-D135 IonicContact NH2-OD2 2.71Å; R47-D135 PolarHBondContact NH2-OD2 3.33Å; D133-D135 HydrophobicContact CB-CB 4.28Å; D133-D135 PolarHBondContact O-N 3.11Å; D133-D135 VanDerWaalsContact O-N 3.15Å
136I98.7Very high98.5Very high3 Ų327 Ų272%0.01516%0.159CC..SBendtrans-110.8126.2175.6-63.2166.8000108.4R47 P48 I51 Y131 M138R47-I136 HydrophobicContact CG-CD1 4.21Å; R47-I136 VanDerWaalsContact CZ-CG1 3.45Å; R47-I136 VanDerWaalsContact NH1-CG1 3.32Å; P48-I136 HydrophobicContact CG-CD1 4.19Å; P48-I136 HydrophobicContact CG-CG2 4.14Å; I51-I136 HydrophobicContact CD1-CB 4.48Å; I51-I136 HydrophobicContact CD1-CD1 4.48Å; I51-I136 HydrophobicContact CD1-CG2 3.97Å; I51-I136 HydrophobicContact CG1-CG2 3.76Å; Y131-I136 HydrophobicContact CD1-CD1 3.46Å; Y131-I136 VanDerWaalsContact CD1-CD1 3.46Å; Y131-I136 HydrophobicContact CD2-CD1 3.62Å; Y131-I136 HydrophobicContact CE1-CD1 3.64Å; Y131-I136 HydrophobicContact CE2-CD1 3.79Å; Y131-I136 HydrophobicContact CG-CD1 3.44Å; Y131-I136 VanDerWaalsContact CG-CD1 3.44Å; I136-M138 PolarHBondContact O-N 3.43Å
137P98.8Very high98.5Very high39 Ų3931 Ų3125%0.25318%0.177SC..  trans-57.2136.1173.9-23.431.7000112.1Q49 A50 I51 P92Q49-P137 WeakPolarHBondContact O-CD 3.19Å; A50-P137 CarbonylContact C-O 3.42Å; A50-P137 WeakPolarHBondContact CA-O 3.23Å; A50-P137 HydrophobicContact CB-CB 4.02Å; A50-P137 VanDerWaalsContact CB-O 3.24Å; A50-P137 WeakPolarHBondContact CB-O 3.36Å; I51-P137 PolarHBondContact N-O 3.43Å; P92-P137 HydrophobicContact CG-CB 4.33Å; P92-P137 HydrophobicContact CG-CG 4.07Å; P92-P137 CarbonylContact O-C 3.57Å; P92-P137 WeakPolarHBondContact O-CA 3.44Å
138M98.6Very high98.5Very high1 Ų135 Ų351%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-137.6150.9175.263.1171.9-78.200112.4I51 V53 Y89 A91 P92 G93 F119 L127 I136 Q140I51-M138 HydrophobicContact CB-CB 4.05Å; I51-M138 CarbonylContact O-C 3.56Å; I51-M138 WeakPolarHBondContact O-CA 3.47Å; I51-M138 WeakPolarHBondContact O-CB 3.34Å; V53-M138 HydrophobicContact CB-CE 4.34Å; V53-M138 HydrophobicContact CG2-CE 3.77Å; Y89-M138 HydrophobicContact CD1-SD 4.49Å; Y89-M138 HydrophobicContact CE1-SD 4.15Å; A91-M138 HydrophobicContact CB-CG 3.87Å; A91-M138 HydrophobicContact CB-SD 3.96Å; P92-M138 PolarHBondContact O-N 3.2Å; G93-M138 WeakPolarHBondContact CA-O 3.24Å; F119-M138 HydrophobicContact CB-CE 4.36Å; F119-M138 HydrophobicContact CD1-CE 3.54Å; F119-M138 HydrophobicContact CD1-CG 4.49Å; F119-M138 HydrophobicContact CD1-SD 4.38Å; F119-M138 HydrophobicContact CD2-CE 4.13Å; F119-M138 HydrophobicContact CD2-CG 4.35Å; F119-M138 HydrophobicContact CD2-SD 4Å; F119-M138 HydrophobicContact CE1-CE 3.72Å; F119-M138 HydrophobicContact CE1-CG 3.8Å; F119-M138 HydrophobicContact CE1-SD 4.26Å; F119-M138 HydrophobicContact CE2-CE 4.29Å; F119-M138 HydrophobicContact CE2-CG 3.64Å; F119-M138 HydrophobicContact CE2-SD 3.87Å; F119-M138 HydrophobicContact CG-CE 3.76Å; F119-M138 HydrophobicContact CG-SD 4.25Å; F119-M138 HydrophobicContact CZ-CB 4.5Å; F119-M138 HydrophobicContact CZ-CE 4.09Å; F119-M138 HydrophobicContact CZ-CG 3.31Å; F119-M138 WeakPolarHBondContact CZ-O 3.46Å; F119-M138 HydrophobicContact CZ-SD 4Å; L127-M138 HydrophobicContact CD1-CE 3.95Å; L127-M138 HydrophobicContact CD1-SD 3.56Å; L127-M138 VanDerWaalsContact CD1-SD 3.56Å; I136-M138 PolarHBondContact O-N 3.43Å; M138-Q140 HydrophobicContact CE-CG 4.25Å
139V98.8Very high98.5Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-128.8142.8168.9-61.50000108.2I51 V52 V53 V65 T66 S94 L97 A98 L101I51-V139 PolarHBondContact O-N 3.38Å; V52-V139 WeakPolarHBondContact CA-O 3.44Å; V52-V139 HydrophobicContact CG2-CG2 3.91Å; V53-V139 PolarHBondContact N-O 3.3Å; V65-V139 HydrophobicContact CG1-CB 4.19Å; V65-V139 HydrophobicContact CG1-CG2 4.3Å; T66-V139 WeakPolarHBondContact O-CG1 3.36Å; T66-V139 WeakPolarHBondContact OG1-CA 3.38Å; S94-V139 WeakPolarHBondContact O-CG1 3.26Å; L97-V139 HydrophobicContact CB-CG1 4.4Å; L97-V139 HydrophobicContact CD2-CG1 4.4Å; L97-V139 HydrophobicContact CD2-CG2 3.72Å; L97-V139 HydrophobicContact CG-CG2 3.88Å; A98-V139 HydrophobicContact CB-CG1 4.46Å; L101-V139 HydrophobicContact CD1-CG2 3.63Å
140Q98.8Very high98.5Very high0 Ų033.9 Ų33.90%021%0.205CC..EExtended strand (participates in β ladder)trans-87.8147.9166.9-61.2-160.9-87.200110.2V53 S55 W58 V65 T66 G118 F119 D120 S123 M138V53-Q140 HydrophobicContact CB-CG 4.29Å; V53-Q140 CarbonylContact O-C 3.56Å; V53-Q140 VanDerWaalsContact O-CA 3.23Å; V53-Q140 WeakPolarHBondContact O-CA 3.47Å; S55-Q140 VanDerWaalsContact CB-NE2 3.28Å; W58-Q140 HydrophobicContact CE3-CB 3.62Å; W58-Q140 HydrophobicContact CZ3-CB 3.77Å; W58-Q140 WeakPolarHBondContact CZ3-O 3.42Å; V65-Q140 VanDerWaalsContact CA-O 3.27Å; V65-Q140 WeakPolarHBondContact CA-O 3.34Å; T66-Q140 HydrophobicContact CG2-CB 4.06Å; T66-Q140 PolarHBondContact N-O 3.4Å; T66-Q140 VanDerWaalsContact N-O 3.13Å; T66-Q140 PolarHBondContact OG1-N 2.95Å; G118-Q140 PolarHBondContact O-OE1 3.03Å; F119-Q140 VanDerWaalsContact CA-OE1 3.31Å; F119-Q140 HydrophobicContact CD1-CG 4.01Å; D120-Q140 VanDerWaalsContact CG-NE2 3.31Å; D120-Q140 PolarHBondContact OD1-NE2 3.2Å; D120-Q140 PolarHBondContact OD2-NE2 2.76Å; D120-Q140 PolarHBondContact OD2-OE1 3.2Å; D120-Q140 VanDerWaalsContact OD2-OE1 3.12Å; S123-Q140 VanDerWaalsContact CB-NE2 3.3Å; S123-Q140 PolarHBondContact OG-NE2 3.28Å; M138-Q140 HydrophobicContact CE-CG 4.25Å
141L98.9Very high98.5Very high0 Ų035.6 Ų35.60%021%0.211CC..BIsolated β-bridgetrans-116.9123.9167.6172.569.8000107.3V52 V53 V54 T63 G64 V65 L105 M155 L159 Y240V52-L141 HydrophobicContact CG1-CB 4.19Å; V53-L141 PolarHBondContact O-N 3.02Å; V54-L141 HydrophobicContact CG2-CB 4.25Å; V54-L141 HydrophobicContact CG2-CD2 4.15Å; T63-L141 HydrophobicContact CG2-CD1 3.48Å; T63-L141 VanDerWaalsContact CG2-CD1 3.48Å; G64-L141 WeakPolarHBondContact O-CA 3.37Å; V65-L141 HydrophobicContact CG2-CB 4.44Å; V65-L141 HydrophobicContact CG2-CD1 3.45Å; V65-L141 VanDerWaalsContact CG2-CD1 3.45Å; L105-L141 HydrophobicContact CD1-CD1 4.02Å; L141-M155 HydrophobicContact CD2-CE 4.48Å; L141-L159 HydrophobicContact CD2-CD1 3.78Å; L141-L159 HydrophobicContact CD2-CD2 4.21Å; L141-Y240 HydrophobicContact CD2-CD1 4.4Å; L141-Y240 HydrophobicContact CD2-CE1 3.95Å
142S98.8Very high98.5Very high0 Ų034.9 Ų34.90%021%0.208CC..  trans-74.6156.5-179.386.40000112.1W58 T60 G62 G64W58-S142 CarbonylContact O-C 3.5Å; W58-S142 WeakPolarHBondContact O-CA 3.2Å; W58-S142 WeakPolarHBondContact O-CB 3.12Å; T60-S142 WeakPolarHBondContact OG1-CB 3.17Å; T60-S142 PolarHBondContact OG1-OG 3.16Å; G62-S142 PolarHBondContact O-OG 2.94Å; G64-S142 PolarHBondContact N-OG 3.38Å; G64-S142 PolarHBondContact O-N 3.42Å
143I98.8Very high98.6Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-94.2121.6174.3-58.8169.7000108V54 S55 W58 F59 T60 S145 H152 L236 P237 Y240V54-I143 HydrophobicContact CG1-CD1 4.08Å; V54-I143 HydrophobicContact CG1-CG1 3.65Å; S55-I143 WeakPolarHBondContact O-CD1 3.48Å; W58-I143 PolarHBondContact O-N 2.94Å; F59-I143 HydrophobicContact CD2-CB 3.79Å; F59-I143 HydrophobicContact CD2-CG2 3.53Å; F59-I143 HydrophobicContact CE2-CB 4.41Å; F59-I143 HydrophobicContact CE2-CG2 3.65Å; T60-I143 PolarHBondContact N-O 3.47Å; I143-S145 PolarHBondContact O-N 3.03Å; I143-H152 VanDerWaalsContact CG2-CE1 3.48Å; I143-H152 WeakPolarHBondContact CG2-CE1 3.19Å; I143-L236 HydrophobicContact CG2-CB 4.19Å; I143-L236 HydrophobicContact CG2-CD1 3.65Å; I143-P237 HydrophobicContact CD1-CG 3.79Å; I143-Y240 HydrophobicContact CG1-CE2 4.31Å
144D98.6Very high98.6Very high8 Ų828.3 Ų28.34%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-78.1102.1177.1-174.5-6.8000111.2T60 G62 S146 K147 W151 H152T60-D144 CarbonylContact O-C 3.56Å; T60-D144 WeakPolarHBondContact O-CA 3.2Å; G62-D144 VanDerWaalsContact CA-CG 3.45Å; G62-D144 WeakPolarHBondContact CA-OD2 3.44Å; G62-D144 VanDerWaalsContact N-CG 3.3Å; G62-D144 PolarHBondContact N-OD1 3.32Å; D144-S146 VanDerWaalsContact CG-OG 3.32Å; D144-S146 PolarHBondContact O-N 2.79Å; D144-S146 WeakPolarHBondContact OD1-CB 3.4Å; D144-S146 PolarHBondContact OD1-N 3.2Å; D144-S146 PolarHBondContact OD1-OG 3.4Å; D144-S146 PolarHBondContact OD2-OG 2.94Å; D144-K147 HydrophobicContact CB-CB 4.46Å; D144-K147 HydrophobicContact CB-CG 3.75Å; D144-K147 VanDerWaalsContact CG-CG 3.48Å; D144-K147 WeakPolarHBondContact O-CB 3.39Å; D144-K147 PolarHBondContact O-N 2.7Å; D144-K147 VanDerWaalsContact O-N 3.09Å; D144-K147 WeakPolarHBondContact OD2-CE 3.44Å; D144-K147 WeakPolarHBondContact OD2-CG 3.44Å; D144-W151 HydrophobicContact CB-CH2 4.04Å; D144-W151 HydrophobicContact CB-CZ3 4Å; D144-H152 PolarHBondContact O-CE1 3.09Å
145S98.2Very high98.6Very high53 Ų5328 Ų2837%0.37116%0.162SC..THydrogen-bonded Turntrans-55.9-16.9177.460.60000116.1F59 T60 I143 K147F59-S145 VanDerWaalsContact CE1-CB 3.46Å; T60-S145 WeakPolarHBondContact O-CB 3.42Å; T60-S145 PolarHBondContact O-N 2.67Å; T60-S145 PolarHBondContact O-OG 2.98Å; I143-S145 PolarHBondContact O-N 3.03Å; S145-K147 VanDerWaalsContact C-N 3.33Å
146S97.9Very high98.6Very high75 Ų7524.6 Ų24.652%0.52414%0.144SC..THydrogen-bonded Turntrans-87.8-1.7179.272.10000113.8D144D144-S146 VanDerWaalsContact CG-OG 3.32Å; D144-S146 PolarHBondContact O-N 2.79Å; D144-S146 WeakPolarHBondContact OD1-CB 3.4Å; D144-S146 PolarHBondContact OD1-N 3.2Å; D144-S146 PolarHBondContact OD1-OG 3.4Å; D144-S146 PolarHBondContact OD2-OG 2.94Å
147K98.5Very high98.6Very high85 Ų8529.7 Ų29.737%0.3716%0.163SC..SBendtrans-107.6148.8-170.5-59.9-64.3-178.9-171.90112.7D144 S145 W151 H152D144-K147 HydrophobicContact CB-CB 4.46Å; D144-K147 HydrophobicContact CB-CG 3.75Å; D144-K147 VanDerWaalsContact CG-CG 3.48Å; D144-K147 WeakPolarHBondContact O-CB 3.39Å; D144-K147 PolarHBondContact O-N 2.7Å; D144-K147 VanDerWaalsContact O-N 3.09Å; D144-K147 WeakPolarHBondContact OD2-CE 3.44Å; D144-K147 WeakPolarHBondContact OD2-CG 3.44Å; S145-K147 VanDerWaalsContact C-N 3.33Å; K147-W151 HydrophobicContact CB-CB 3.98Å; K147-W151 HydrophobicContact CB-CD2 3.59Å; K147-W151 HydrophobicContact CB-CE3 3.48Å; K147-W151 VanDerWaalsContact CB-CE3 3.48Å; K147-W151 HydrophobicContact CB-CG 3.82Å; K147-W151 HydrophobicContact CB-CZ3 4.2Å; K147-W151 HydrophobicContact CD-CD2 3.97Å; K147-W151 HydrophobicContact CD-CG 4.02Å; K147-W151 HydrophobicContact CG-CD2 3.54Å; K147-W151 HydrophobicContact CG-CE3 3.64Å; K147-W151 HydrophobicContact CG-CG 4Å; K147-W151 HydrophobicContact CG-CH2 4.3Å; K147-W151 HydrophobicContact CG-CZ2 4.19Å; K147-W151 HydrophobicContact CG-CZ3 4.03Å; K147-H152 PolarHBondContact O-NE2 3.48Å
148P98.2Very high98.6Very high85 Ų8531.5 Ų31.555%0.55217%0.167SC*.  trans-76.7159.617632.4-35.6000111.6A150 W151 H152P148-A150 VanDerWaalsContact C-N 3.26Å; P148-A150 PolarHBondContact O-N 2.9Å; P148-A150 VanDerWaalsContact O-N 3.14Å; P148-W151 HydrophobicContact CG-CB 4.11Å; P148-W151 VanDerWaalsContact O-CB 3.26Å; P148-W151 WeakPolarHBondContact O-CB 3.39Å; P148-W151 PolarHBondContact O-N 2.88Å; P148-H152 PolarHBondContact O-CD2 3.27Å; P148-H152 VanDerWaalsContact O-CD2 3.26Å
149A98.8Very high98.6Very high17 Ų1731.5 Ų31.514%0.1417%0.167CC..Hα-helixtrans-47.3-43.6177.800000113.9W151 H152 F153 V217 Y219 L236 L239A149-W151 PolarHBondContact O-N 2.85Å; A149-H152 WeakPolarHBondContact O-CB 3.16Å; A149-H152 PolarHBondContact O-N 3.38Å; A149-H152 VanDerWaalsContact O-N 3.07Å; A149-F153 PolarHBondContact O-N 2.84Å; A149-V217 HydrophobicContact CB-CG1 4.16Å; A149-V217 VanDerWaalsContact CB-O 3.28Å; A149-V217 WeakPolarHBondContact CB-O 3.28Å; A149-Y219 HydrophobicContact CB-CE1 4.4Å; A149-L236 HydrophobicContact CB-CD2 4.24Å; A149-L239 HydrophobicContact CB-CD1 3.62Å; A149-L239 WeakPolarHBondContact O-CD1 3.29Å
150A98.6Very high98.6Very high25 Ų2532.2 Ų32.221%0.20717%0.173CC..Hα-helixtrans-58.1-35.4178.500000112.8P148 F153 E154 V211 V217P148-A150 VanDerWaalsContact C-N 3.26Å; P148-A150 PolarHBondContact O-N 2.9Å; P148-A150 VanDerWaalsContact O-N 3.14Å; A150-F153 WeakPolarHBondContact O-CB 3.5Å; A150-F153 PolarHBondContact O-N 2.8Å; A150-E154 WeakPolarHBondContact O-CG 3.46Å; A150-E154 PolarHBondContact O-N 3.4Å; A150-V211 HydrophobicContact CB-CG2 4.32Å; A150-V217 HydrophobicContact CB-CG1 3.7Å
151W98.7Very high98.5Very high43 Ų4334 Ų3416%0.16319%0.188CC..Hα-helixtrans-66.4-38.2178.1-178.991.9000111.6T63 I108 D144 K147 P148 A149 F153 E154 M155T63-W151 WeakPolarHBondContact OG1-CH2 3.43Å; I108-W151 HydrophobicContact CD1-CZ2 3.96Å; I108-W151 HydrophobicContact CG2-CZ2 3.97Å; D144-W151 HydrophobicContact CB-CH2 4.04Å; D144-W151 HydrophobicContact CB-CZ3 4Å; K147-W151 HydrophobicContact CB-CB 3.98Å; K147-W151 HydrophobicContact CB-CD2 3.59Å; K147-W151 HydrophobicContact CB-CE3 3.48Å; K147-W151 VanDerWaalsContact CB-CE3 3.48Å; K147-W151 HydrophobicContact CB-CG 3.82Å; K147-W151 HydrophobicContact CB-CZ3 4.2Å; K147-W151 HydrophobicContact CD-CD2 3.97Å; K147-W151 HydrophobicContact CD-CG 4.02Å; K147-W151 HydrophobicContact CG-CD2 3.54Å; K147-W151 HydrophobicContact CG-CE3 3.64Å; K147-W151 HydrophobicContact CG-CG 4Å; K147-W151 HydrophobicContact CG-CH2 4.3Å; K147-W151 HydrophobicContact CG-CZ2 4.19Å; K147-W151 HydrophobicContact CG-CZ3 4.03Å; P148-W151 HydrophobicContact CG-CB 4.11Å; P148-W151 VanDerWaalsContact O-CB 3.26Å; P148-W151 WeakPolarHBondContact O-CB 3.39Å; P148-W151 PolarHBondContact O-N 2.88Å; A149-W151 PolarHBondContact O-N 2.85Å; W151-F153 VanDerWaalsContact C-N 3.34Å; W151-E154 PolarHBondContact O-N 2.77Å; W151-M155 HydrophobicContact CD2-CG 4.02Å; W151-M155 HydrophobicContact CE3-CG 3.74Å; W151-M155 HydrophobicContact CH2-CE 3.8Å; W151-M155 HydrophobicContact CH2-CG 3.51Å; W151-M155 HydrophobicContact CH2-SD 3.62Å; W151-M155 HydrophobicContact CZ2-CE 4.25Å; W151-M155 HydrophobicContact CZ2-CG 3.82Å; W151-M155 HydrophobicContact CZ2-SD 3.58Å; W151-M155 VanDerWaalsContact CZ2-SD 3.58Å; W151-M155 HydrophobicContact CZ3-CE 4.49Å; W151-M155 HydrophobicContact CZ3-CG 3.48Å; W151-M155 VanDerWaalsContact CZ3-CG 3.48Å; W151-M155 HydrophobicContact CZ3-SD 4.23Å; W151-M155 WeakPolarHBondContact O-CG 3.3Å; W151-M155 PolarHBondContact O-N 2.86Å
152H98.9Very high98.5Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-67.6-35176.1-61.5-77.1000112.1I143 D144 K147 P148 A149 M155 G156 L236 L239 Y240I143-H152 VanDerWaalsContact CG2-CE1 3.48Å; I143-H152 WeakPolarHBondContact CG2-CE1 3.19Å; D144-H152 PolarHBondContact O-CE1 3.09Å; K147-H152 PolarHBondContact O-NE2 3.48Å; P148-H152 PolarHBondContact O-CD2 3.27Å; P148-H152 VanDerWaalsContact O-CD2 3.26Å; A149-H152 WeakPolarHBondContact O-CB 3.16Å; A149-H152 PolarHBondContact O-N 3.38Å; A149-H152 VanDerWaalsContact O-N 3.07Å; H152-M155 WeakPolarHBondContact O-CB 3.49Å; H152-M155 PolarHBondContact O-N 3.1Å; H152-G156 PolarHBondContact O-N 2.81Å; H152-G156 VanDerWaalsContact O-N 3.09Å; H152-L236 HydrophobicContact CB-CD2 4.48Å; H152-L239 HydrophobicContact CB-CB 4.3Å; H152-Y240 HydrophobicContact CB-CD2 4.04Å; H152-Y240 HydrophobicContact CB-CE2 3.6Å; H152-Y240 AromaticContact CG-CE2 3.78Å; H152-Y240 AromaticContact ND1-CE2 3.32Å; H152-Y240 VanDerWaalsContact ND1-CE2 3.32Å; H152-Y240 WeakPolarHBondContact ND1-CE2 3.04Å; H152-Y240 AromaticContact ND1-CZ 3.43Å; H152-Y240 PolarHBondContact ND1-OH 2.7Å
153F98.8Very high98.5Very high14 Ų1434 Ų346%0.06119%0.188CC..Hα-helixtrans-62.3-45.2171-166.1-76.9000111.6A149 A150 W151 M155 G156 R157 V211 H214 V217 L239 L242 G243A149-F153 PolarHBondContact O-N 2.84Å; A150-F153 WeakPolarHBondContact O-CB 3.5Å; A150-F153 PolarHBondContact O-N 2.8Å; W151-F153 VanDerWaalsContact C-N 3.34Å; F153-M155 VanDerWaalsContact C-N 3.29Å; F153-M155 PolarHBondContact O-N 2.92Å; F153-G156 WeakPolarHBondContact O-CA 3.49Å; F153-G156 PolarHBondContact O-N 3.13Å; F153-G156 VanDerWaalsContact O-N 3.1Å; F153-R157 HydrophobicContact CD1-CG 4.35Å; F153-R157 HydrophobicContact CE1-CG 4.26Å; F153-R157 PolarHBondContact O-N 2.88Å; F153-R157 VanDerWaalsContact O-N 3.07Å; F153-V211 HydrophobicContact CB-CG2 3.77Å; F153-V211 HydrophobicContact CD1-CB 4.42Å; F153-V211 HydrophobicContact CD1-CG2 3.55Å; F153-V211 HydrophobicContact CE1-CG2 4.3Å; F153-V211 HydrophobicContact CG-CG2 3.7Å; F153-H214 AromaticContact CE2-CD2 3.4Å; F153-H214 VanDerWaalsContact CE2-CD2 3.4Å; F153-H214 WeakPolarHBondContact CE2-CD2 3.4Å; F153-H214 AromaticContact CE2-NE2 3.67Å; F153-H214 AromaticContact CZ-CD2 3.89Å; F153-V217 HydrophobicContact CB-CG2 4.13Å; F153-V217 HydrophobicContact CD2-CG2 4.08Å; F153-V217 HydrophobicContact CG-CG2 4.3Å; F153-L239 WeakPolarHBondContact CA-O 3.49Å; F153-L239 HydrophobicContact CB-CB 4.34Å; F153-L239 HydrophobicContact CD2-CD2 4.45Å; F153-L242 HydrophobicContact CD2-CB 4.22Å; F153-L242 HydrophobicContact CE2-CB 3.65Å; F153-L242 HydrophobicContact CZ-CB 4.45Å; F153-G243 WeakPolarHBondContact O-CA 3.22Å
154E98.4Very high98.5Very high67 Ų6738.1 Ų38.131%0.31321%0.21SC..Hα-helixtrans-64.1-31.9175.3-70.3-57.6144.700113.2A150 W151 G156 R157 K158 V211A150-E154 WeakPolarHBondContact O-CG 3.46Å; A150-E154 PolarHBondContact O-N 3.4Å; W151-E154 PolarHBondContact O-N 2.77Å; E154-G156 VanDerWaalsContact C-N 3.35Å; E154-R157 WeakPolarHBondContact O-CB 3.43Å; E154-R157 PolarHBondContact O-N 2.8Å; E154-R157 IonicContact OE1-CZ 2.82Å; E154-R157 IonicContact OE1-NE 2.72Å; E154-R157 IonicContact OE1-NH1 3.22Å; E154-R157 PolarHBondContact OE1-NH1 2.82Å; E154-R157 VanDerWaalsContact OE2-CD 3.29Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-NH1 2.74Å; E154-K158 PolarHBondContact O-N 2.99Å; E154-V211 WeakPolarHBondContact OE1-CG1 2.91Å
155M98.6Very high98.4Very high1 Ų141.1 Ų41.11%0.00522%0.223CC..Hα-helixtrans-62.3-44.5170.3-69.7-67.2-7400111.1T63 L105 I108 L141 W151 H152 F153 R157 K158 L159 Y240T63-M155 HydrophobicContact CG2-CE 4.22Å; L105-M155 HydrophobicContact CD1-CE 3.63Å; L105-M155 HydrophobicContact CD2-CE 3.52Å; L105-M155 HydrophobicContact CD2-SD 3.94Å; L105-M155 HydrophobicContact CG-CE 4.07Å; I108-M155 HydrophobicContact CD1-SD 3.37Å; I108-M155 WeakPolarHBondContact CD1-SD 3.44Å; L141-M155 HydrophobicContact CD2-CE 4.48Å; W151-M155 HydrophobicContact CD2-CG 4.02Å; W151-M155 HydrophobicContact CE3-CG 3.74Å; W151-M155 HydrophobicContact CH2-CE 3.8Å; W151-M155 HydrophobicContact CH2-CG 3.51Å; W151-M155 HydrophobicContact CH2-SD 3.62Å; W151-M155 HydrophobicContact CZ2-CE 4.25Å; W151-M155 HydrophobicContact CZ2-CG 3.82Å; W151-M155 HydrophobicContact CZ2-SD 3.58Å; W151-M155 VanDerWaalsContact CZ2-SD 3.58Å; W151-M155 HydrophobicContact CZ3-CE 4.49Å; W151-M155 HydrophobicContact CZ3-CG 3.48Å; W151-M155 VanDerWaalsContact CZ3-CG 3.48Å; W151-M155 HydrophobicContact CZ3-SD 4.23Å; W151-M155 WeakPolarHBondContact O-CG 3.3Å; W151-M155 PolarHBondContact O-N 2.86Å; H152-M155 WeakPolarHBondContact O-CB 3.49Å; H152-M155 PolarHBondContact O-N 3.1Å; F153-M155 VanDerWaalsContact C-N 3.29Å; F153-M155 PolarHBondContact O-N 2.92Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 PolarHBondContact O-N 3.17Å; M155-K158 WeakPolarHBondContact O-CB 3.45Å; M155-K158 PolarHBondContact O-N 3.42Å; M155-K158 VanDerWaalsContact O-N 3.11Å; M155-L159 WeakPolarHBondContact O-CG 3.29Å; M155-L159 PolarHBondContact O-N 3.01Å; M155-Y240 HydrophobicContact CB-CD1 3.82Å; M155-Y240 HydrophobicContact CB-CE1 3.45Å; M155-Y240 VanDerWaalsContact CB-CE1 3.45Å; M155-Y240 HydrophobicContact CG-CE1 4.15Å
156G98.7Very high98.4Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-53.8-44.2172.200000113.1H152 F153 E154 K158 L159 A160 Y240 G243 A244H152-G156 PolarHBondContact O-N 2.81Å; H152-G156 VanDerWaalsContact O-N 3.09Å; F153-G156 WeakPolarHBondContact O-CA 3.49Å; F153-G156 PolarHBondContact O-N 3.13Å; F153-G156 VanDerWaalsContact O-N 3.1Å; E154-G156 VanDerWaalsContact C-N 3.35Å; G156-K158 VanDerWaalsContact C-N 3.3Å; G156-K158 PolarHBondContact O-N 2.95Å; G156-L159 PolarHBondContact O-N 2.81Å; G156-L159 VanDerWaalsContact O-N 3.14Å; G156-A160 PolarHBondContact O-N 3.18Å; G156-Y240 WeakPolarHBondContact CA-O 3.41Å; G156-G243 CarbonylContact C-O 3.52Å; G156-A244 WeakPolarHBondContact O-CA 3.45Å
157R98.4Very high98.4Very high111 Ų11135.6 Ų35.642%0.41918%0.184SC..Hα-helixtrans-58.4-40176.1-74.5178.1164.9167.82.4112.8F153 E154 M155 A160 G243F153-R157 HydrophobicContact CD1-CG 4.35Å; F153-R157 HydrophobicContact CE1-CG 4.26Å; F153-R157 PolarHBondContact O-N 2.88Å; F153-R157 VanDerWaalsContact O-N 3.07Å; E154-R157 WeakPolarHBondContact O-CB 3.43Å; E154-R157 PolarHBondContact O-N 2.8Å; E154-R157 IonicContact OE1-CZ 2.82Å; E154-R157 IonicContact OE1-NE 2.72Å; E154-R157 IonicContact OE1-NH1 3.22Å; E154-R157 PolarHBondContact OE1-NH1 2.82Å; E154-R157 VanDerWaalsContact OE2-CD 3.29Å; E154-R157 WeakPolarHBondContact OE2-CD 3.33Å; E154-R157 IonicContact OE2-NH1 2.74Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 PolarHBondContact O-N 3.17Å; R157-A160 VanDerWaalsContact O-CB 3.29Å; R157-A160 WeakPolarHBondContact O-CB 3.4Å; R157-G243 WeakPolarHBondContact CA-O 3.32Å; R157-G243 WeakPolarHBondContact CG-O 3.26Å; R157-G243 PolarHBondContact N-O 2.95Å
158K98.6Very high98.4Very high76 Ų7631.5 Ų31.533%0.3317%0.166SC..Hα-helixtrans-67.6-44.3175.1-66.8176.6176.5-70.30111.5L104 L105 I108 E154 M155 G156 A160 A161L104-K158 WeakPolarHBondContact CD2-O 3.48Å; L105-K158 HydrophobicContact CD2-CB 3.87Å; L105-K158 HydrophobicContact CD2-CD 3.99Å; I108-K158 HydrophobicContact CD1-CD 4.44Å; E154-K158 PolarHBondContact O-N 2.99Å; M155-K158 WeakPolarHBondContact O-CB 3.45Å; M155-K158 PolarHBondContact O-N 3.42Å; M155-K158 VanDerWaalsContact O-N 3.11Å; G156-K158 VanDerWaalsContact C-N 3.3Å; G156-K158 PolarHBondContact O-N 2.95Å; K158-A160 PolarHBondContact O-N 3.36Å; K158-A161 PolarHBondContact O-N 2.89Å
159L98.8Very high98.5Very high2 Ų227.9 Ų27.91%0.0114%0.142CC..Hα-helixtrans-64.2-22.6179.9-66.2173.1000113.3L101 L104 L105 L141 M155 G156 A161 L162 L169 Y240L101-L159 HydrophobicContact CD2-CD2 3.32Å; L104-L159 HydrophobicContact CD2-CD2 4.48Å; L105-L159 HydrophobicContact CD2-CD2 4.37Å; L141-L159 HydrophobicContact CD2-CD1 3.78Å; L141-L159 HydrophobicContact CD2-CD2 4.21Å; M155-L159 WeakPolarHBondContact O-CG 3.29Å; M155-L159 PolarHBondContact O-N 3.01Å; G156-L159 PolarHBondContact O-N 2.81Å; G156-L159 VanDerWaalsContact O-N 3.14Å; L159-A161 PolarHBondContact O-N 3.26Å; L159-L162 HydrophobicContact CD2-CD1 3.95Å; L159-L162 WeakPolarHBondContact O-CB 3.3Å; L159-L162 PolarHBondContact O-N 2.95Å; L159-L169 HydrophobicContact CB-CD1 3.84Å; L159-L169 HydrophobicContact CB-CD2 4.24Å; L159-Y240 HydrophobicContact CD1-CD1 3.77Å; L159-Y240 HydrophobicContact CD1-CE1 4.46Å
160A98.5Very high98.5Very high15 Ų1527.1 Ų27.112%0.12414%0.136CC..Hα-helixtrans-51.3-32.5178.500000113.6R14 G156 R157 K158 L162 R163 A244R14-A160 PolarHBondContact NH1-O 3.23Å; G156-A160 PolarHBondContact O-N 3.18Å; R157-A160 VanDerWaalsContact O-CB 3.29Å; R157-A160 WeakPolarHBondContact O-CB 3.4Å; K158-A160 PolarHBondContact O-N 3.36Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.96Å; A160-R163 WeakPolarHBondContact O-CB 3.46Å; A160-R163 PolarHBondContact O-N 2.81Å; A160-A244 HydrophobicContact CB-CB 4.21Å
161A97.9Very high98.5Very high37 Ų3726 Ų2631%0.30613%0.126SC..Hα-helixtrans-64-32.2178.700000113L104 K158 L159 R163 D164L104-A161 HydrophobicContact CD1-CB 4.07Å; K158-A161 PolarHBondContact O-N 2.89Å; L159-A161 PolarHBondContact O-N 3.26Å; A161-R163 PolarHBondContact O-N 3.42Å; A161-D164 PolarHBondContact O-N 2.57Å
162L98.6Very high98.5Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-65.8-25.3179.2-61.3178.3000112.1V52 R100 L101 L104 L159 A160 D164 E165 G166 I167V52-L162 HydrophobicContact CG2-CD1 3.98Å; R100-L162 HydrophobicContact CG-CD2 3.88Å; L101-L162 HydrophobicContact CD2-CD1 3.66Å; L101-L162 HydrophobicContact CG-CD1 4.34Å; L104-L162 HydrophobicContact CD2-CD1 3.85Å; L104-L162 HydrophobicContact CD2-CD2 3.76Å; L104-L162 HydrophobicContact CD2-CG 3.51Å; L159-L162 HydrophobicContact CD2-CD1 3.95Å; L159-L162 WeakPolarHBondContact O-CB 3.3Å; L159-L162 PolarHBondContact O-N 2.95Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 2.96Å; L162-D164 PolarHBondContact O-N 2.93Å; L162-E165 CarbonylContact O-C 3.5Å; L162-E165 WeakPolarHBondContact O-CA 3.34Å; L162-E165 WeakPolarHBondContact O-CB 3.5Å; L162-E165 PolarHBondContact O-N 2.63Å; L162-G166 PolarHBondContact O-N 3.02Å; L162-I167 HydrophobicContact CB-CB 3.84Å; L162-I167 HydrophobicContact CB-CG1 4.09Å; L162-I167 HydrophobicContact CB-CG2 4.21Å; L162-I167 VanDerWaalsContact O-CB 3.24Å; L162-I167 WeakPolarHBondContact O-CB 3.42Å; L162-I167 WeakPolarHBondContact O-CG1 3.41Å; L162-I167 PolarHBondContact O-N 2.81Å; L162-I167 VanDerWaalsContact O-N 3.09Å
163R98.3Very high98.5Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-62.7-34178.6-60.7174.662.5-146.5-14.8111.7R14 M15 A160 A161 E165 G166 I167 L169 A244 E249R14-R163 WeakPolarHBondContact CA-O 3.27Å; R14-R163 HydrophobicContact CG-CB 3.93Å; R14-R163 VanDerWaalsContact NH2-NH1 3.18Å; M15-R163 PolarHBondContact N-O 3.48Å; M15-R163 VanDerWaalsContact O-CZ 3.27Å; M15-R163 PolarHBondContact O-NE 2.98Å; M15-R163 PolarHBondContact O-NH2 2.88Å; A160-R163 WeakPolarHBondContact O-CB 3.46Å; A160-R163 PolarHBondContact O-N 2.81Å; A161-R163 PolarHBondContact O-N 3.42Å; R163-E165 VanDerWaalsContact C-N 3.27Å; R163-G166 PolarHBondContact O-N 3.26Å; R163-I167 WeakPolarHBondContact CA-O 3.39Å; R163-L169 HydrophobicContact CG-CD1 4.01Å; R163-L169 HydrophobicContact CG-CG 4.03Å; R163-A244 PolarHBondContact NH1-O 3.09Å; R163-E249 IonicContact CZ-OE1 3.44Å; R163-E249 IonicContact CZ-OE2 3.91Å; R163-E249 IonicContact NH1-OE1 3.22Å; R163-E249 IonicContact NH1-OE2 2.72Å; R163-E249 PolarHBondContact NH1-OE2 3.43Å; R163-E249 VanDerWaalsContact NH2-CD 3.32Å; R163-E249 IonicContact NH2-OE1 3.39Å; R163-E249 PolarHBondContact NH2-OE1 3.12Å; R163-E249 IonicContact NH2-OE2 3.2Å; R163-E249 PolarHBondContact NH2-OE2 3.02Å
164D97.5Very high98.5Very high87 Ų8723.3 Ų23.347%0.46512%0.115SC..Hα-helixtrans-77.9-15.1176-56-44000112.4S12 R14 A161 L162 G166S12-D164 WeakPolarHBondContact CB-O 3.48Å; R14-D164 WeakPolarHBondContact CD-OD1 3.34Å; R14-D164 WeakPolarHBondContact CG-OD1 3.35Å; R14-D164 IonicContact CZ-OD1 3.78Å; R14-D164 IonicContact NH1-OD1 2.69Å; R14-D164 PolarHBondContact NH1-OD1 3.23Å; R14-D164 IonicContact NH1-OD2 3.24Å; R14-D164 PolarHBondContact NH1-OD2 3.1Å; A161-D164 PolarHBondContact O-N 2.57Å; L162-D164 PolarHBondContact O-N 2.93Å; D164-G166 VanDerWaalsContact C-N 3.3Å
165E97.6Very high98.5Very high70 Ų7020.1 Ų20.133%0.32710%0.101SC..THydrogen-bonded Turntrans-90.18.5175.6-60175.8-152.500112.2R100 L162 R163 I167R100-E165 IonicContact CZ-OE1 2.69Å; R100-E165 IonicContact NE-OE1 2.62Å; R100-E165 PolarHBondContact NE-OE1 3.41Å; R100-E165 IonicContact NE-OE2 3.76Å; R100-E165 PolarHBondContact NE-OE2 3.35Å; R100-E165 IonicContact NH2-OE1 3.53Å; R100-E165 PolarHBondContact NH2-OE1 2.89Å; L162-E165 CarbonylContact O-C 3.5Å; L162-E165 WeakPolarHBondContact O-CA 3.34Å; L162-E165 WeakPolarHBondContact O-CB 3.5Å; L162-E165 PolarHBondContact O-N 2.63Å; R163-E165 VanDerWaalsContact C-N 3.27Å; E165-I167 VanDerWaalsContact C-N 3.33Å; E165-I167 HydrophobicContact CB-CG1 4.19Å
166G98Very high98.5Very high0 Ų020 Ų200%010%0.1CC..THydrogen-bonded Turntrans8015.9-179.300000113.7S12 P48 Q49 L162 R163 D164S12-G166 VanDerWaalsContact OG-CA 3.25Å; S12-G166 WeakPolarHBondContact OG-CA 3.44Å; S12-G166 PolarHBondContact OG-N 3.48Å; P48-G166 WeakPolarHBondContact CA-O 3.36Å; P48-G166 WeakPolarHBondContact CB-O 3.27Å; Q49-G166 PolarHBondContact N-O 2.99Å; L162-G166 PolarHBondContact O-N 3.02Å; R163-G166 PolarHBondContact O-N 3.26Å; D164-G166 VanDerWaalsContact C-N 3.3Å
167I98.7Very high98.5Very high12 Ų1221.2 Ų21.26%0.06211%0.106CC..EExtended strand (participates in β ladder)trans-97.4122178.6-47.1-63.6000109.5M15 A50 V52 L97 L162 R163 E165M15-I167 WeakPolarHBondContact CB-O 3.49Å; A50-I167 HydrophobicContact CB-CD1 3.84Å; A50-I167 WeakPolarHBondContact O-CA 3.45Å; V52-I167 HydrophobicContact CB-CG2 4.47Å; V52-I167 HydrophobicContact CG2-CG2 3.74Å; L97-I167 HydrophobicContact CD1-CD1 4.1Å; L97-I167 HydrophobicContact CD1-CG1 4.26Å; L97-I167 HydrophobicContact CD1-CG2 4.43Å; L97-I167 HydrophobicContact CD2-CD1 4.38Å; L97-I167 HydrophobicContact CD2-CG2 4.29Å; L162-I167 HydrophobicContact CB-CB 3.84Å; L162-I167 HydrophobicContact CB-CG1 4.09Å; L162-I167 HydrophobicContact CB-CG2 4.21Å; L162-I167 VanDerWaalsContact O-CB 3.24Å; L162-I167 WeakPolarHBondContact O-CB 3.42Å; L162-I167 WeakPolarHBondContact O-CG1 3.41Å; L162-I167 PolarHBondContact O-N 2.81Å; L162-I167 VanDerWaalsContact O-N 3.09Å; R163-I167 WeakPolarHBondContact CA-O 3.39Å; E165-I167 VanDerWaalsContact C-N 3.33Å; E165-I167 HydrophobicContact CB-CG1 4.19Å
168M98.8Very high98.4Very high0 Ų016.3 Ų16.30%09%0.088CC..EExtended strand (participates in β ladder)trans-84.3136.6174.2-179.4169.863.100110.1M15 P16 L18 L45 P48 A50 I51 V52 M130 Y131 V170M15-M168 HydrophobicContact CB-CB 4.22Å; P16-M168 HydrophobicContact CG-CG 4.24Å; P16-M168 HydrophobicContact CG-SD 3.89Å; P16-M168 WeakPolarHBondContact O-CG 3.06Å; L18-M168 HydrophobicContact CD1-SD 4Å; L45-M168 HydrophobicContact CD1-SD 4.26Å; P48-M168 HydrophobicContact CB-CB 3.65Å; P48-M168 HydrophobicContact CG-CB 3.88Å; P48-M168 HydrophobicContact CG-CE 3.82Å; A50-M168 PolarHBondContact O-N 2.95Å; I51-M168 WeakPolarHBondContact CA-O 3.33Å; I51-M168 HydrophobicContact CD1-CE 3.74Å; I51-M168 HydrophobicContact CG1-CE 4Å; V52-M168 PolarHBondContact N-O 2.78Å; M130-M168 HydrophobicContact CE-CE 4.12Å; Y131-M168 HydrophobicContact CE2-CE 3.52Å; Y131-M168 WeakPolarHBondContact OH-CE 3.37Å; M168-V170 HydrophobicContact CE-CG2 3.89Å; M168-V170 HydrophobicContact CG-CG2 4.07Å; M168-V170 HydrophobicContact SD-CG2 4.36Å
169L98.9Very high98.2Very high8 Ų817.2 Ų17.24%0.04210%0.096CC..EExtended strand (participates in β ladder)trans-93.3124.7172.2-54.9-177.8000108.4P16 A17 L18 V52 L159 R163 A244P16-L169 PolarHBondContact O-N 3.3Å; A17-L169 CarbonylContact C-O 3.51Å; A17-L169 WeakPolarHBondContact CA-O 3.49Å; A17-L169 HydrophobicContact CB-CB 3.96Å; A17-L169 HydrophobicContact CB-CD1 4.37Å; L18-L169 PolarHBondContact N-O 3.45Å; V52-L169 HydrophobicContact CB-CD2 3.93Å; V52-L169 HydrophobicContact CG1-CD2 4.48Å; L159-L169 HydrophobicContact CB-CD1 3.84Å; L159-L169 HydrophobicContact CB-CD2 4.24Å; R163-L169 HydrophobicContact CG-CD1 4.01Å; R163-L169 HydrophobicContact CG-CG 4.03Å; L169-A244 HydrophobicContact CD1-CB 3.59Å
170V98.9Very high98Very high2 Ų227.9 Ų27.91%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-123.5123173.3178.40000107.8L18 L20 I51 V52 V53 V54 L127 M168L18-V170 HydrophobicContact CB-CG2 4.48Å; L18-V170 HydrophobicContact CD1-CG2 4.25Å; L18-V170 CarbonylContact O-C 3.48Å; L18-V170 WeakPolarHBondContact O-CA 3.37Å; L20-V170 HydrophobicContact CD1-CG1 4.05Å; I51-V170 HydrophobicContact CG2-CB 3.9Å; I51-V170 HydrophobicContact CG2-CG2 3.62Å; V52-V170 PolarHBondContact O-N 3.3Å; V53-V170 CarbonylContact C-O 3.57Å; V53-V170 WeakPolarHBondContact CA-O 3.23Å; V53-V170 HydrophobicContact CG2-CB 4.37Å; V54-V170 PolarHBondContact N-O 3.12Å; L127-V170 HydrophobicContact CD2-CG1 4.5Å; L127-V170 HydrophobicContact CD2-CG2 4.41Å; M168-V170 HydrophobicContact CE-CG2 3.89Å; M168-V170 HydrophobicContact CG-CG2 4.07Å; M168-V170 HydrophobicContact SD-CG2 4.36Å
171A98.9Very high97.8Very high1 Ų128.8 Ų28.81%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-118.3144.5174.600000108.2L18 F19 L20 V54 P237 V241L18-A171 PolarHBondContact O-N 3.16Å; F19-A171 CarbonylContact C-O 3.56Å; F19-A171 VanDerWaalsContact CA-O 3.29Å; F19-A171 WeakPolarHBondContact CA-O 3.45Å; F19-A171 HydrophobicContact CD2-CB 4.43Å; L20-A171 PolarHBondContact N-O 3.44Å; V54-A171 HydrophobicContact CB-CB 4.14Å; V54-A171 CarbonylContact O-C 3.38Å; V54-A171 WeakPolarHBondContact O-CA 3.47Å; A171-P237 HydrophobicContact CB-CB 3.78Å; A171-P237 WeakPolarHBondContact CB-O 3.45Å; A171-V241 HydrophobicContact CB-CG2 3.44Å; A171-V241 VanDerWaalsContact CB-CG2 3.44Å
172S98.8Very high97.5Very high0 Ų027.7 Ų27.70%013%0.129CC..EExtended strand (participates in β ladder)trans-138.3139.7-177.8540000111.6L20 V54 A56 G122 P237L20-S172 WeakPolarHBondContact O-CA 3.37Å; V54-S172 PolarHBondContact O-N 2.74Å; A56-S172 WeakPolarHBondContact CB-O 3.22Å; A56-S172 PolarHBondContact N-O 3.17Å; G122-S172 WeakPolarHBondContact O-CB 3.28Å; G122-S172 PolarHBondContact O-OG 3.12Å; S172-P237 VanDerWaalsContact O-CG 3.23Å; S172-P237 WeakPolarHBondContact O-CG 3.05Å
173G98.6Very high97.2Very high0 Ų029.9 Ų29.90%014%0.139CC..EExtended strand (participates in β ladder)trans175.2-151.4-175.600000109.5L20 G21 H22 H234L20-G173 PolarHBondContact O-N 2.78Å; G21-G173 CarbonylContact C-O 3.39Å; G21-G173 WeakPolarHBondContact CA-O 3.01Å; H22-G173 PolarHBondContact N-O 3.2Å; H22-G173 PolarHBondContact ND1-N 3.36Å; G173-H234 CarbonylContact C-O 3.56Å; G173-H234 WeakPolarHBondContact CA-O 3.39Å
174N98.7Very high96.6Very high0 Ų038 Ų380%017%0.17CC..  trans-152134.6172.8-56.490.9000109.1H22 G23 V176 H177 H234 L263 S264H22-N174 PolarHBondContact CD2-OD1 3.1Å; H22-N174 PolarHBondContact NE2-OD1 3.33Å; G23-N174 PolarHBondContact N-ND2 3.32Å; N174-V176 WeakPolarHBondContact CB-O 3.49Å; N174-V176 PolarHBondContact O-N 3.15Å; N174-H177 HydrophobicContact CB-CB 4.05Å; N174-H234 CarbonylContact C-O 3.58Å; N174-H234 PolarHBondContact N-O 3.14Å; N174-H234 CarbonylContact O-C 3.47Å; N174-H234 VanDerWaalsContact O-O 3.11Å; N174-L263 HydrophobicContact CB-CD1 4.08Å; N174-L263 VanDerWaalsContact CG-CD1 3.49Å; N174-L263 WeakPolarHBondContact ND2-CD1 3.3Å; N174-S264 WeakPolarHBondContact CB-O 3.36Å; N174-S264 PolarHBondContact ND2-O 3.33Å
175V98.7Very high95.9Very high0 Ų042.1 Ų42.10%019%0.186CC..SBendtrans-73.1-19.4178.2-59.20000112.7F19 F197 V201 N229 Y235 L238 S264 L266F19-V175 HydrophobicContact CE1-CG1 3.73Å; F19-V175 HydrophobicContact CZ-CG1 3.93Å; V175-F197 VanDerWaalsContact O-CD1 3.3Å; V175-F197 WeakPolarHBondContact O-CD1 3.33Å; V175-F197 WeakPolarHBondContact O-CE1 3.26Å; V175-V201 HydrophobicContact CB-CG1 4.5Å; V175-V201 HydrophobicContact CB-CG2 4.18Å; V175-V201 HydrophobicContact CG1-CG1 4.07Å; V175-N229 PolarHBondContact O-ND2 2.77Å; V175-N229 PolarHBondContact O-OD1 2.99Å; V175-Y235 HydrophobicContact CB-CD2 4.36Å; V175-Y235 HydrophobicContact CB-CE2 4.41Å; V175-Y235 HydrophobicContact CG1-CE2 4.49Å; V175-L238 HydrophobicContact CG1-CD2 3.8Å; V175-S264 VanDerWaalsContact CG2-OG 3.28Å; V175-S264 WeakPolarHBondContact CG2-OG 3.38Å; V175-L266 HydrophobicContact CG1-CD2 4.41Å; V175-L266 HydrophobicContact CG2-CB 4.05Å; V175-L266 HydrophobicContact CG2-CD2 3.96Å
176V98.7Very high95.4Very high0 Ų042.3 Ų42.30%021%0.207CC..SBendtrans-125.1115.5165.6-176.40000106.4N174 W193 A194 F197 S262 L263 S264N174-V176 WeakPolarHBondContact CB-O 3.49Å; N174-V176 PolarHBondContact O-N 3.15Å; V176-W193 HydrophobicContact CG1-CH2 4.36Å; V176-W193 HydrophobicContact CG1-CZ3 3.73Å; V176-A194 HydrophobicContact CG1-CB 3.93Å; V176-F197 HydrophobicContact CG2-CD1 3.96Å; V176-S262 WeakPolarHBondContact CG1-O 3.23Å; V176-L263 WeakPolarHBondContact O-CA 3.37Å; V176-S264 PolarHBondContact O-N 2.92Å
177H98.2Very high94.8Very high25 Ų2547.2 Ų47.212%0.11623%0.233CC..BIsolated β-bridgetrans-140.175.9-179.2-168.6-98.4000110.7N174 S228 P230 H234 L263N174-H177 HydrophobicContact CB-CB 4.05Å; H177-S228 CarbonylContact C-O 3.56Å; H177-S228 PolarHBondContact N-O 3.47Å; H177-P230 WeakPolarHBondContact O-CD 3.46Å; H177-H234 HydrophobicContact CB-CB 3.63Å; H177-H234 AromaticContact CD2-CD2 3.44Å; H177-H234 PolarHBondContact CD2-CD2 2.77Å; H177-H234 VanDerWaalsContact CD2-CD2 3.44Å; H177-H234 AromaticContact CD2-CG 3.73Å; H177-H234 AromaticContact CD2-NE2 3.8Å; H177-H234 AromaticContact CE1-CD2 3.89Å; H177-H234 AromaticContact CE1-CE1 3.4Å; H177-H234 PolarHBondContact CE1-CE1 3.04Å; H177-H234 VanDerWaalsContact CE1-CE1 3.4Å; H177-H234 AromaticContact CE1-CG 3.84Å; H177-H234 AromaticContact CE1-ND1 3.51Å; H177-H234 AromaticContact CE1-NE2 3.63Å; H177-H234 AromaticContact CG-CD2 3.68Å; H177-H234 AromaticContact CG-CG 3.45Å; H177-H234 VanDerWaalsContact CG-CG 3.45Å; H177-H234 AromaticContact CG-ND1 3.84Å; H177-H234 AromaticContact ND1-CD2 3.95Å; H177-H234 AromaticContact ND1-CE1 3.79Å; H177-H234 AromaticContact ND1-CG 3.53Å; H177-H234 AromaticContact ND1-ND1 3.4Å; H177-H234 PolarHBondContact ND1-ND1 2.81Å; H177-H234 AromaticContact NE2-CD2 3.66Å; H177-H234 AromaticContact NE2-CE1 3.75Å; H177-H234 AromaticContact NE2-NE2 3.47Å; H177-H234 PolarHBondContact NE2-NE2 2.91Å; H177-L263 VanDerWaalsContact CD2-CD1 3.49Å; H177-L263 WeakPolarHBondContact CD2-CD1 3.39Å
178N97.6Very high94.4Very high8 Ų849.9 Ų49.94%0.04325%0.253CS..  trans-116.389.8174.2-169.4-17.4000111.4R180 T181 V182 W193 L227 P230 S262N178-R180 PolarHBondContact O-N 3.21Å; N178-R180 WeakPolarHBondContact OD1-CB 3.36Å; N178-R180 PolarHBondContact OD1-N 2.74Å; N178-T181 WeakPolarHBondContact CB-OG1 3.47Å; N178-T181 PolarHBondContact O-N 3.06Å; N178-T181 VanDerWaalsContact O-N 3.11Å; N178-T181 PolarHBondContact O-OG1 2.78Å; N178-V182 PolarHBondContact O-N 2.98Å; N178-W193 HydrophobicContact CB-CH2 4.12Å; N178-L227 WeakPolarHBondContact CB-O 3.48Å; N178-L227 PolarHBondContact ND2-O 2.74Å; N178-P230 HydrophobicContact CB-CG 4.03Å; N178-S262 PolarHBondContact N-O 3.42Å; N178-S262 PolarHBondContact O-OG 3.16Å
179L94Very high94.2Very high94 Ų9452.7 Ų52.749%0.49227%0.272SS..THydrogen-bonded Turntrans-68.8-12178.5-59.4-176.8000113.8T181 V182L179-T181 VanDerWaalsContact C-N 3.27Å; L179-V182 HydrophobicContact CD2-CG1 4.05Å; L179-V182 WeakPolarHBondContact O-CG2 3.35Å
180R94.3Very high94.1Very high226 Ų22654.9 Ų54.985%0.85329%0.287SS*.THydrogen-bonded Turntrans-76.6-20172.5-62.4-178.7178.9137.31.3112N178N178-R180 PolarHBondContact O-N 3.21Å; N178-R180 WeakPolarHBondContact OD1-CB 3.36Å; N178-R180 PolarHBondContact OD1-N 2.74Å
181T94.4Very high94Very high35 Ų3558.2 Ų58.222%0.21530%0.3CS..THydrogen-bonded Turntrans-110-2.5-177.6580000113.6N178 L179 K183 Y191 W193 S262N178-T181 WeakPolarHBondContact CB-OG1 3.47Å; N178-T181 PolarHBondContact O-N 3.06Å; N178-T181 VanDerWaalsContact O-N 3.11Å; N178-T181 PolarHBondContact O-OG1 2.78Å; L179-T181 VanDerWaalsContact C-N 3.27Å; T181-K183 PolarHBondContact O-N 2.86Å; T181-Y191 WeakPolarHBondContact O-CE2 3.3Å; T181-Y191 PolarHBondContact O-OH 3.12Å; T181-W193 HydrophobicContact CG2-CZ2 4.29Å; T181-S262 VanDerWaalsContact OG1-CB 3.25Å; T181-S262 WeakPolarHBondContact OG1-CB 3.32Å; T181-S262 PolarHBondContact OG1-OG 3.47Å
182V92Very high94Very high13 Ų1363.2 Ų63.28%0.07933%0.332CS..  trans-61.3137.9-177.7-710000111.7N178 L179 W184 M260 S262N178-V182 PolarHBondContact O-N 2.98Å; L179-V182 HydrophobicContact CD2-CG1 4.05Å; L179-V182 WeakPolarHBondContact O-CG2 3.35Å; V182-W184 HydrophobicContact CG2-CD2 4.17Å; V182-W184 HydrophobicContact CG2-CH2 4.16Å; V182-W184 HydrophobicContact CG2-CZ2 3.4Å; V182-W184 VanDerWaalsContact CG2-CZ2 3.4Å; V182-W184 PolarHBondContact O-N 3.03Å; V182-M260 CarbonylContact C-O 3.54Å; V182-M260 VanDerWaalsContact CA-O 3.28Å; V182-M260 WeakPolarHBondContact CA-O 3.4Å; V182-M260 HydrophobicContact CB-CB 4.03Å; V182-M260 HydrophobicContact CG1-CB 4.18Å; V182-S262 WeakPolarHBondContact CA-OG 3.34Å; V182-S262 WeakPolarHBondContact CG1-OG 3.35Å; V182-S262 PolarHBondContact N-OG 3.42Å
183K91.2Very high93.9Very high47 Ų4765.7 Ų65.720%0.20434%0.342CS..  trans-92.895.2178.8-57.2-177.4-174.1171.50109.4T181 H185 D187 S189 Y191 M260T181-K183 PolarHBondContact O-N 2.86Å; K183-H185 VanDerWaalsContact C-N 3.29Å; K183-H185 PolarHBondContact O-N 3.35Å; K183-D187 WeakPolarHBondContact CD-O 3.37Å; K183-D187 PolarHBondContact NZ-O 3.15Å; K183-D187 IonicContact NZ-OD2 2.75Å; K183-S189 PolarHBondContact NZ-O 3.27Å; K183-Y191 HydrophobicContact CD-CE2 4.39Å; K183-Y191 WeakPolarHBondContact CE-OH 3.28Å; K183-Y191 HydrophobicContact CG-CE2 4.09Å; K183-Y191 WeakPolarHBondContact CG-OH 3.48Å; K183-M260 PolarHBondContact N-O 3.46Å
184W85.8Confident93.9Very high170 Ų17065.7 Ų65.764%0.64434%0.342SS*.  trans-70.4-23.6179.9-60.2106.5000114.1V182 M260V182-W184 HydrophobicContact CG2-CD2 4.17Å; V182-W184 HydrophobicContact CG2-CH2 4.16Å; V182-W184 HydrophobicContact CG2-CZ2 3.4Å; V182-W184 VanDerWaalsContact CG2-CZ2 3.4Å; V182-W184 PolarHBondContact O-N 3.03Å; W184-M260 HydrophobicContact CE3-SD 4.05Å; W184-M260 HydrophobicContact CZ3-SD 3.9Å
185H84Confident93.9Very high174 Ų17468.5 Ų68.581%0.80636%0.359SS*.SBendtrans-139.9149-175.3-56.2-47.2000111.1K183K183-H185 VanDerWaalsContact C-N 3.29Å; K183-H185 PolarHBondContact O-N 3.35Å
186G85.5Confident93.9Very high74 Ų7470.6 Ų70.676%0.76337%0.373SS*.SBendtrans80.3-142.7175.200000113.3S188G186-S188 PolarHBondContact O-N 3.45Å; G186-S188 VanDerWaalsContact O-N 3.12Å
187D86.5Confident93.9Very high102 Ų10270.6 Ų70.655%0.54537%0.373SS..  trans-65108.4-178.1171.333.1000111.6K183 S189K183-D187 WeakPolarHBondContact CD-O 3.37Å; K183-D187 PolarHBondContact NZ-O 3.15Å; K183-D187 IonicContact NZ-OD2 2.75Å; D187-S189 PolarHBondContact O-N 2.77Å; D187-S189 WeakPolarHBondContact OD1-CB 3.28Å; D187-S189 PolarHBondContact OD1-N 3Å; D187-S189 PolarHBondContact OD1-OG 3.05Å
188S89.4Confident93.9Very high69 Ų6969.7 Ų69.748%0.48337%0.369SS..  trans-83.17.6177.658.10000113.9G186 G261G186-S188 PolarHBondContact O-N 3.45Å; G186-S188 VanDerWaalsContact O-N 3.12Å; S188-G261 PolarHBondContact O-N 2.87Å; S188-G261 VanDerWaalsContact O-N 3.09Å
189S94.4Very high94Very high59 Ų5973.4 Ų73.441%0.41339%0.386SS..PPolyproline II helixtrans-52.9138.5-178.4-65.10000111.9K183 D187 G261K183-S189 PolarHBondContact NZ-O 3.27Å; D187-S189 PolarHBondContact O-N 2.77Å; D187-S189 WeakPolarHBondContact OD1-CB 3.28Å; D187-S189 PolarHBondContact OD1-N 3Å; D187-S189 PolarHBondContact OD1-OG 3.05Å; S189-G261 WeakPolarHBondContact O-CA 3.43Å
190P96.9Very high94.2Very high54 Ų5471.3 Ų71.335%0.35137%0.372SS..PPolyproline II helixtrans-57.8142179.9-26.637.6000112.6T195 I258 G261P190-T195 WeakPolarHBondContact CB-OG1 3.31Å; P190-I258 HydrophobicContact CB-CB 3.92Å; P190-I258 HydrophobicContact CB-CD1 3.96Å; P190-I258 HydrophobicContact CB-CG2 3.84Å; P190-I258 HydrophobicContact CG-CB 3.7Å; P190-I258 HydrophobicContact CG-CD1 4.43Å; P190-I258 HydrophobicContact CG-CG2 4Å; P190-G261 WeakPolarHBondContact CA-O 3.29Å
191Y97.6Very high94.4Very high71 Ų7160.6 Ų60.628%0.27833%0.332SS..PPolyproline II helixtrans-67.1145.5168.6-69-79.8000110.5T181 K183 W193 A194 T195 G261T181-Y191 WeakPolarHBondContact O-CE2 3.3Å; T181-Y191 PolarHBondContact O-OH 3.12Å; K183-Y191 HydrophobicContact CD-CE2 4.39Å; K183-Y191 WeakPolarHBondContact CE-OH 3.28Å; K183-Y191 HydrophobicContact CG-CE2 4.09Å; K183-Y191 WeakPolarHBondContact CG-OH 3.48Å; Y191-W193 VanDerWaalsContact C-N 3.26Å; Y191-W193 VanDerWaalsContact CB-CE2 3.42Å; Y191-W193 VanDerWaalsContact CB-NE1 3.25Å; Y191-W193 AromaticContact CD1-NE1 3.9Å; Y191-W193 HydrophobicContact CD2-CH2 4.43Å; Y191-W193 AromaticContact CD2-CZ2 3.62Å; Y191-W193 HydrophobicContact CD2-CZ2 3.62Å; Y191-W193 HydrophobicContact CE2-CZ2 4.38Å; Y191-W193 AromaticContact CG-CE2 3.77Å; Y191-W193 AromaticContact CG-CZ2 3.84Å; Y191-W193 HydrophobicContact CG-CZ2 3.84Å; Y191-W193 AromaticContact CG-NE1 3.55Å; Y191-W193 PolarHBondContact O-N 2.94Å; Y191-A194 WeakPolarHBondContact O-CA 3.19Å; Y191-A194 WeakPolarHBondContact O-CB 3.12Å; Y191-A194 PolarHBondContact O-N 3.02Å; Y191-T195 PolarHBondContact O-N 3.36Å; Y191-T195 PolarHBondContact O-OG1 2.97Å; Y191-G261 VanDerWaalsContact CD2-O 3.25Å; Y191-G261 WeakPolarHBondContact CD2-O 3.28Å; Y191-G261 PolarHBondContact N-O 3.21Å
192P97.8Very high94.6Very high107 Ų10761 Ų6170%0.69533%0.331SS*.Hα-helixtrans-54.9-38.8179.2-28.835.6000114.2A194 S196P192-A194 VanDerWaalsContact C-N 3.33Å; P192-S196 VanDerWaalsContact O-CB 3.28Å; P192-S196 WeakPolarHBondContact O-CB 3.33Å; P192-S196 PolarHBondContact O-N 2.82Å
193W97.8Very high94.9Very high52 Ų5263.9 Ų63.920%0.19736%0.356CS..Hα-helixtrans-68.2-32.1176.657.1-103.3000112.7V176 N178 T181 Y191 F197 L227 S262V176-W193 HydrophobicContact CG1-CH2 4.36Å; V176-W193 HydrophobicContact CG1-CZ3 3.73Å; N178-W193 HydrophobicContact CB-CH2 4.12Å; T181-W193 HydrophobicContact CG2-CZ2 4.29Å; Y191-W193 VanDerWaalsContact C-N 3.26Å; Y191-W193 VanDerWaalsContact CB-CE2 3.42Å; Y191-W193 VanDerWaalsContact CB-NE1 3.25Å; Y191-W193 AromaticContact CD1-NE1 3.9Å; Y191-W193 HydrophobicContact CD2-CH2 4.43Å; Y191-W193 AromaticContact CD2-CZ2 3.62Å; Y191-W193 HydrophobicContact CD2-CZ2 3.62Å; Y191-W193 HydrophobicContact CE2-CZ2 4.38Å; Y191-W193 AromaticContact CG-CE2 3.77Å; Y191-W193 AromaticContact CG-CZ2 3.84Å; Y191-W193 HydrophobicContact CG-CZ2 3.84Å; Y191-W193 AromaticContact CG-NE1 3.55Å; Y191-W193 PolarHBondContact O-N 2.94Å; W193-F197 WeakPolarHBondContact O-CB 3.34Å; W193-F197 PolarHBondContact O-N 2.82Å; W193-L227 HydrophobicContact CB-CD2 4.3Å; W193-L227 HydrophobicContact CD2-CD2 3.51Å; W193-L227 HydrophobicContact CD2-CG 3.84Å; W193-L227 HydrophobicContact CE3-CB 4.33Å; W193-L227 HydrophobicContact CE3-CD2 4.14Å; W193-L227 HydrophobicContact CE3-CG 3.97Å; W193-L227 HydrophobicContact CG-CD2 3.56Å; W193-L227 HydrophobicContact CG-CG 4.37Å; W193-L227 HydrophobicContact CH2-CG 4.26Å; W193-L227 HydrophobicContact CZ2-CD2 4.24Å; W193-L227 HydrophobicContact CZ2-CG 4.12Å; W193-L227 HydrophobicContact CZ3-CG 4.21Å; W193-S262 VanDerWaalsContact CH2-CB 3.45Å
194A98.3Very high95.3Very high0 Ų063 Ų630%035%0.354CS..Hα-helixtrans-70.5-46.5177.900000109.8V176 Y191 P192 F197 N198 I258V176-A194 HydrophobicContact CG1-CB 3.93Å; Y191-A194 WeakPolarHBondContact O-CA 3.19Å; Y191-A194 WeakPolarHBondContact O-CB 3.12Å; Y191-A194 PolarHBondContact O-N 3.02Å; P192-A194 VanDerWaalsContact C-N 3.33Å; A194-F197 PolarHBondContact O-N 3.47Å; A194-N198 VanDerWaalsContact O-CB 3.29Å; A194-N198 WeakPolarHBondContact O-CB 3.46Å; A194-N198 PolarHBondContact O-N 2.75Å; A194-I258 HydrophobicContact CB-CD1 4.08Å
195T98.5Very high95.9Very high58 Ų5855.3 Ų55.336%0.35633%0.325SS..Hα-helixtrans-59.7-48.3173-55.60000111.1P190 Y191 F197 N198 E199P190-T195 WeakPolarHBondContact CB-OG1 3.31Å; Y191-T195 PolarHBondContact O-N 3.36Å; Y191-T195 PolarHBondContact O-OG1 2.97Å; T195-F197 PolarHBondContact O-N 3.31Å; T195-N198 PolarHBondContact O-N 3.36Å; T195-E199 HydrophobicContact CG2-CG 4.42Å; T195-E199 WeakPolarHBondContact O-CG 3.5Å; T195-E199 PolarHBondContact O-N 3.4Å
196S98.6Very high96.6Very high44 Ų4450.9 Ų50.931%0.30831%0.31SS..Hα-helixtrans-57-48.9179.7-178.20000111.7P192 E199 Y200 H222P192-S196 VanDerWaalsContact O-CB 3.28Å; P192-S196 WeakPolarHBondContact O-CB 3.33Å; P192-S196 PolarHBondContact O-N 2.82Å; S196-E199 PolarHBondContact O-N 3.44Å; S196-Y200 WeakPolarHBondContact O-CB 3.47Å; S196-Y200 PolarHBondContact O-N 3.33Å; S196-H222 PolarHBondContact OG-CE1 3.39Å
197F98.8Very high97.2Very high0 Ų050.5 Ų50.50%029%0.286CS..Hα-helixtrans-66.8-38.7178-172.1-100.6000112.9V175 V176 W193 A194 T195 Y200 V201 Y219 H222 G225 S228 N229 Y235V175-F197 VanDerWaalsContact O-CD1 3.3Å; V175-F197 WeakPolarHBondContact O-CD1 3.33Å; V175-F197 WeakPolarHBondContact O-CE1 3.26Å; V176-F197 HydrophobicContact CG2-CD1 3.96Å; W193-F197 WeakPolarHBondContact O-CB 3.34Å; W193-F197 PolarHBondContact O-N 2.82Å; A194-F197 PolarHBondContact O-N 3.47Å; T195-F197 PolarHBondContact O-N 3.31Å; F197-Y200 HydrophobicContact CD2-CD1 4.21Å; F197-Y200 HydrophobicContact CE2-CD1 4.06Å; F197-Y200 HydrophobicContact CE2-CE1 4.41Å; F197-Y200 WeakPolarHBondContact O-CB 3.41Å; F197-Y200 PolarHBondContact O-N 3.48Å; F197-V201 HydrophobicContact CD1-CG2 4.11Å; F197-V201 HydrophobicContact CE1-CG2 3.68Å; F197-V201 HydrophobicContact CZ-CG2 4.01Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 2.64Å; F197-Y219 HydrophobicContact CE2-CD2 4.42Å; F197-Y219 WeakPolarHBondContact CE2-O 3.43Å; F197-Y219 AromaticContact CZ-CD2 3.91Å; F197-Y219 HydrophobicContact CZ-CD2 3.91Å; F197-Y219 HydrophobicContact CZ-CG 4.37Å; F197-H222 HydrophobicContact CD2-CB 4.11Å; F197-H222 AromaticContact CD2-CG 3.93Å; F197-H222 AromaticContact CD2-ND1 3.51Å; F197-H222 HydrophobicContact CE2-CB 4.19Å; F197-G225 VanDerWaalsContact CE2-CA 3.43Å; F197-S228 VanDerWaalsContact CB-OG 3.29Å; F197-S228 WeakPolarHBondContact CB-OG 3.39Å; F197-S228 WeakPolarHBondContact CG-OG 3.5Å; F197-N229 WeakPolarHBondContact CE1-ND2 3.39Å; F197-Y235 HydrophobicContact CE1-CD2 4.12Å; F197-Y235 AromaticContact CE1-CE2 3.81Å; F197-Y235 HydrophobicContact CE1-CE2 3.81Å; F197-Y235 HydrophobicContact CZ-CD2 4.23Å; F197-Y235 AromaticContact CZ-CE2 3.71Å; F197-Y235 HydrophobicContact CZ-CE2 3.71Å
198N98.8Very high97.6Very high6 Ų652 Ų523%0.03229%0.29CS..Hα-helixtrans-61-45.5176.3-172.188.1000111.8A194 T195 V201 K202 I258 S264A194-N198 VanDerWaalsContact O-CB 3.29Å; A194-N198 WeakPolarHBondContact O-CB 3.46Å; A194-N198 PolarHBondContact O-N 2.75Å; T195-N198 PolarHBondContact O-N 3.36Å; N198-V201 PolarHBondContact O-N 3.35Å; N198-K202 WeakPolarHBondContact ND2-CD 3.37Å; N198-K202 WeakPolarHBondContact O-CG 3.49Å; N198-K202 PolarHBondContact O-N 3.09Å; N198-I258 HydrophobicContact CB-CD1 4.03Å; N198-S264 WeakPolarHBondContact OD1-CB 3.36Å; N198-S264 PolarHBondContact OD1-OG 3.32Å
199E98.7Very high98Very high86 Ų8650.6 Ų50.640%0.40229%0.286SS..Hα-helixtrans-67-37.1175.8-66-50.5127.300112.2T195 S196 V201 K202 A203T195-E199 HydrophobicContact CG2-CG 4.42Å; T195-E199 WeakPolarHBondContact O-CG 3.5Å; T195-E199 PolarHBondContact O-N 3.4Å; S196-E199 PolarHBondContact O-N 3.44Å; E199-V201 VanDerWaalsContact C-N 3.29Å; E199-V201 PolarHBondContact O-N 3.44Å; E199-K202 VanDerWaalsContact CD-NZ 3.3Å; E199-K202 PolarHBondContact O-N 2.56Å; E199-K202 WeakPolarHBondContact OE1-CD 3.42Å; E199-K202 IonicContact OE1-NZ 3.29Å; E199-K202 PolarHBondContact OE1-NZ 2.89Å; E199-K202 VanDerWaalsContact OE2-CE 3.3Å; E199-K202 WeakPolarHBondContact OE2-CE 3.32Å; E199-K202 IonicContact OE2-NZ 3.49Å; E199-K202 PolarHBondContact OE2-NZ 3.29Å; E199-A203 VanDerWaalsContact O-CB 3.32Å; E199-A203 WeakPolarHBondContact O-CB 3.17Å; E199-A203 PolarHBondContact O-N 3.02Å
200Y98.8Very high98.2Very high51 Ų5150.8 Ų50.820%0.229%0.286CS..Hα-helixtrans-57.8-42.3170.6171.1-99.3000111.6S196 F197 N204 P215 L216 H222S196-Y200 WeakPolarHBondContact O-CB 3.47Å; S196-Y200 PolarHBondContact O-N 3.33Å; F197-Y200 HydrophobicContact CD2-CD1 4.21Å; F197-Y200 HydrophobicContact CE2-CD1 4.06Å; F197-Y200 HydrophobicContact CE2-CE1 4.41Å; F197-Y200 WeakPolarHBondContact O-CB 3.41Å; F197-Y200 PolarHBondContact O-N 3.48Å; Y200-N204 PolarHBondContact O-N 3.04Å; Y200-N204 PolarHBondContact O-ND2 2.94Å; Y200-P215 HydrophobicContact CE2-CB 4.32Å; Y200-P215 WeakPolarHBondContact OH-CA 3.38Å; Y200-P215 WeakPolarHBondContact OH-CB 3.45Å; Y200-P215 PolarHBondContact OH-O 3.37Å; Y200-L216 HydrophobicContact CD1-CD2 4.42Å; Y200-L216 HydrophobicContact CE1-CD2 4.13Å; Y200-H222 HydrophobicContact CD1-CB 4.06Å; Y200-H222 AromaticContact CD1-CD2 4Å; Y200-H222 AromaticContact CD2-CD2 3.46Å; Y200-H222 VanDerWaalsContact CD2-CD2 3.46Å; Y200-H222 WeakPolarHBondContact CD2-CD2 3.49Å; Y200-H222 HydrophobicContact CE1-CB 3.96Å; Y200-H222 HydrophobicContact CE2-CB 4.45Å; Y200-H222 HydrophobicContact CG-CB 4.35Å; Y200-H222 AromaticContact CG-CD2 3.42Å; Y200-H222 VanDerWaalsContact CG-CD2 3.42Å; Y200-H222 AromaticContact CG-CG 3.94Å
201V98.9Very high98.2Very high0 Ų048.5 Ų48.50%027%0.271CS..Hα-helixtrans-61.9-51.7176.31740000110.8V175 F197 N198 E199 A203 N204 L205 L216 Y235 L238 L266V175-V201 HydrophobicContact CB-CG1 4.5Å; V175-V201 HydrophobicContact CB-CG2 4.18Å; V175-V201 HydrophobicContact CG1-CG1 4.07Å; F197-V201 HydrophobicContact CD1-CG2 4.11Å; F197-V201 HydrophobicContact CE1-CG2 3.68Å; F197-V201 HydrophobicContact CZ-CG2 4.01Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 2.64Å; N198-V201 PolarHBondContact O-N 3.35Å; E199-V201 VanDerWaalsContact C-N 3.29Å; E199-V201 PolarHBondContact O-N 3.44Å; V201-A203 VanDerWaalsContact C-N 3.33Å; V201-A203 PolarHBondContact O-N 3.26Å; V201-N204 PolarHBondContact O-N 3.43Å; V201-N204 VanDerWaalsContact O-N 3.1Å; V201-L205 HydrophobicContact CG1-CD2 4.14Å; V201-L205 WeakPolarHBondContact O-CG 3.23Å; V201-L205 PolarHBondContact O-N 2.76Å; V201-L216 HydrophobicContact CB-CD2 4.24Å; V201-L216 HydrophobicContact CG1-CD1 4.34Å; V201-L216 HydrophobicContact CG1-CD2 4.23Å; V201-L216 HydrophobicContact CG2-CD2 4.1Å; V201-Y235 HydrophobicContact CG2-CE2 4.13Å; V201-L238 HydrophobicContact CG1-CD2 3.68Å; V201-L266 HydrophobicContact CB-CD2 4.31Å; V201-L266 HydrophobicContact CG1-CD2 3.85Å
202K98.6Very high98.2Very high43 Ų4351.2 Ų51.219%0.18729%0.286CS..Hα-helixtrans-55.7-45.4179.1-70.2166.556.2-179.80112.7N198 E199 N204 L205 I253 E256 L266N198-K202 WeakPolarHBondContact ND2-CD 3.37Å; N198-K202 WeakPolarHBondContact O-CG 3.49Å; N198-K202 PolarHBondContact O-N 3.09Å; E199-K202 VanDerWaalsContact CD-NZ 3.3Å; E199-K202 PolarHBondContact O-N 2.56Å; E199-K202 WeakPolarHBondContact OE1-CD 3.42Å; E199-K202 IonicContact OE1-NZ 3.29Å; E199-K202 PolarHBondContact OE1-NZ 2.89Å; E199-K202 VanDerWaalsContact OE2-CE 3.3Å; E199-K202 WeakPolarHBondContact OE2-CE 3.32Å; E199-K202 IonicContact OE2-NZ 3.49Å; E199-K202 PolarHBondContact OE2-NZ 3.29Å; K202-N204 PolarHBondContact O-N 2.79Å; K202-N204 VanDerWaalsContact O-N 3.16Å; K202-L205 PolarHBondContact O-N 2.92Å; K202-I253 HydrophobicContact CB-CD1 4.4Å; K202-I253 HydrophobicContact CD-CD1 4.29Å; K202-I253 HydrophobicContact CG-CD1 3.87Å; K202-E256 WeakPolarHBondContact CD-OE2 3.25Å; K202-E256 WeakPolarHBondContact CE-OE2 3.41Å; K202-E256 IonicContact NZ-OE1 3.39Å; K202-E256 PolarHBondContact NZ-OE1 3.33Å; K202-E256 IonicContact NZ-OE2 2.74Å; K202-E256 PolarHBondContact NZ-OE2 3.38Å; K202-L266 HydrophobicContact CD-CD1 4.14Å; K202-L266 HydrophobicContact CG-CD1 3.82Å; K202-L266 HydrophobicContact CG-CD2 3.84Å
203A98.5Very high98.3Very high75 Ų7552.2 Ų52.262%0.6228%0.282SS*.Hα-helixtrans-64.2-19.2-178.200000113.6E199 V201E199-A203 VanDerWaalsContact O-CB 3.32Å; E199-A203 WeakPolarHBondContact O-CB 3.17Å; E199-A203 PolarHBondContact O-N 3.02Å; V201-A203 VanDerWaalsContact C-N 3.33Å; V201-A203 PolarHBondContact O-N 3.26Å
204N98.7Very high98.3Very high29 Ų2950 Ų5016%0.15527%0.274CS..THydrogen-bonded Turntrans-115.68.4-175.4-68.3-77.1000113.9Y200 V201 K202 T206 W207 H214 P215 L216Y200-N204 PolarHBondContact O-N 3.04Å; Y200-N204 PolarHBondContact O-ND2 2.94Å; V201-N204 PolarHBondContact O-N 3.43Å; V201-N204 VanDerWaalsContact O-N 3.1Å; K202-N204 PolarHBondContact O-N 2.79Å; K202-N204 VanDerWaalsContact O-N 3.16Å; N204-T206 VanDerWaalsContact C-N 3.25Å; N204-T206 PolarHBondContact O-N 3.19Å; N204-W207 VanDerWaalsContact O-CB 3.32Å; N204-W207 WeakPolarHBondContact O-CB 3.36Å; N204-W207 PolarHBondContact O-N 3.42Å; N204-H214 PolarHBondContact O-CE1 2.94Å; N204-P215 HydrophobicContact CB-CB 4.01Å; N204-P215 HydrophobicContact CB-CG 4.44Å; N204-P215 WeakPolarHBondContact OD1-CG 3.27Å; N204-L216 HydrophobicContact CB-CD1 4.28Å; N204-L216 HydrophobicContact CB-CD2 3.85Å; N204-L216 HydrophobicContact CB-CG 3.89Å
205L98.7Very high98.3Very high7 Ų751.1 Ų51.14%0.03728%0.281CS..THydrogen-bonded Turntrans-61-33.9178.6-69.9174.6000112.9V201 K202 L216 L238 L242 I251 I253 V268V201-L205 HydrophobicContact CG1-CD2 4.14Å; V201-L205 WeakPolarHBondContact O-CG 3.23Å; V201-L205 PolarHBondContact O-N 2.76Å; K202-L205 PolarHBondContact O-N 2.92Å; L205-L216 HydrophobicContact CD2-CD1 4.14Å; L205-L238 HydrophobicContact CD2-CD1 4.28Å; L205-L242 HydrophobicContact CD2-CD2 4.11Å; L205-I251 HydrophobicContact CB-CG2 4.23Å; L205-I251 HydrophobicContact CD1-CG2 4.35Å; L205-I251 VanDerWaalsContact O-CD1 3.27Å; L205-I251 WeakPolarHBondContact O-CD1 3.19Å; L205-I253 HydrophobicContact CD1-CD1 4.22Å; L205-I253 HydrophobicContact CD1-CG1 4.21Å; L205-V268 HydrophobicContact CD1-CG1 4.23Å; L205-V268 HydrophobicContact CD1-CG2 3.86Å; L205-V268 HydrophobicContact CD2-CG1 4.28Å; L205-V268 HydrophobicContact CD2-CG2 3.84Å
206T98.1Very high98.3Very high81 Ų8148.3 Ų48.350%0.49726%0.264SS..THydrogen-bonded Turntrans-100.514-178.155.10000112.9N204 W245 I251N204-T206 VanDerWaalsContact C-N 3.25Å; N204-T206 PolarHBondContact O-N 3.19Å; T206-W245 HydrophobicContact CG2-CH2 4.33Å; T206-W245 WeakPolarHBondContact O-CH2 3.33Å; T206-I251 HydrophobicContact CG2-CB 4.15Å; T206-I251 HydrophobicContact CG2-CD1 4.07Å; T206-I251 HydrophobicContact CG2-CG1 4.27Å
207W98.3Very high98.3Very high67 Ų6746.7 Ų46.725%0.25425%0.252SS..  trans-62.5138178.9-175.195.8000110.7N204 G209 P210 Q213 H214 P215N204-W207 VanDerWaalsContact O-CB 3.32Å; N204-W207 WeakPolarHBondContact O-CB 3.36Å; N204-W207 PolarHBondContact O-N 3.42Å; W207-G209 VanDerWaalsContact CH2-C 3.42Å; W207-G209 VanDerWaalsContact CZ3-C 3.43Å; W207-G209 VanDerWaalsContact CZ3-CA 3.46Å; W207-G209 VanDerWaalsContact CZ3-N 3.29Å; W207-P210 WeakPolarHBondContact CH2-O 3.28Å; W207-P210 WeakPolarHBondContact CZ3-O 3.49Å; W207-Q213 HydrophobicContact CH2-CB 3.9Å; W207-Q213 HydrophobicContact CZ2-CB 4.08Å; W207-H214 HydrophobicContact CE3-CB 3.7Å; W207-H214 AromaticContact CE3-CD2 3.72Å; W207-H214 AromaticContact CE3-CG 3.49Å; W207-H214 VanDerWaalsContact CE3-CG 3.49Å; W207-H214 AromaticContact CE3-ND1 3.85Å; W207-H214 HydrophobicContact CH2-CB 4.26Å; W207-H214 VanDerWaalsContact CZ3-CA 3.48Å; W207-H214 HydrophobicContact CZ3-CB 3.54Å; W207-H214 AromaticContact CZ3-CG 3.87Å; W207-P215 VanDerWaalsContact CD2-CD 3.48Å; W207-P215 HydrophobicContact CD2-CG 4.45Å; W207-P215 HydrophobicContact CG-CG 4.12Å
208Q96.6Very high98.3Very high132 Ų13249.3 Ų49.362%0.61727%0.266SS*.  trans-127.5136.9179.1-63.9-176.542.900110.4W245 G247Q208-W245 HydrophobicContact CG-CH2 4Å; Q208-W245 HydrophobicContact CG-CZ3 3.86Å; Q208-G247 PolarHBondContact NE2-O 2.95Å
209G97Very high98.3Very high40 Ų4049.8 Ų49.841%0.41227%0.267SS..SBendtrans154.8-167.5179.900000112.2W207W207-G209 VanDerWaalsContact CH2-C 3.42Å; W207-G209 VanDerWaalsContact CZ3-C 3.43Å; W207-G209 VanDerWaalsContact CZ3-CA 3.46Å; W207-G209 VanDerWaalsContact CZ3-N 3.29Å
210P97.7Very high98.3Very high64 Ų6449.6 Ų49.642%0.41627%0.269SS..  trans-59.3136.9175.7-2334.5000112W207 E212 Q213 H214W207-P210 WeakPolarHBondContact CH2-O 3.28Å; W207-P210 WeakPolarHBondContact CZ3-O 3.49Å; P210-E212 PolarHBondContact O-N 3.46Å; P210-Q213 HydrophobicContact CB-CG 4.37Å; P210-Q213 PolarHBondContact O-N 3.39Å; P210-H214 PolarHBondContact O-N 3.38Å
211V97.9Very high98.3Very high6 Ų653.6 Ų53.64%0.03629%0.294CS..G310 helixtrans-59.6-33.7-174.864.80000112A150 F153 E154 Q213 H214 V217A150-V211 HydrophobicContact CB-CG2 4.32Å; F153-V211 HydrophobicContact CB-CG2 3.77Å; F153-V211 HydrophobicContact CD1-CB 4.42Å; F153-V211 HydrophobicContact CD1-CG2 3.55Å; F153-V211 HydrophobicContact CE1-CG2 4.3Å; F153-V211 HydrophobicContact CG-CG2 3.7Å; E154-V211 WeakPolarHBondContact OE1-CG1 2.91Å; V211-Q213 PolarHBondContact O-N 3.5Å; V211-H214 WeakPolarHBondContact O-CB 2.95Å; V211-H214 PolarHBondContact O-N 3.28Å; V211-H214 VanDerWaalsContact O-N 3.16Å; V211-V217 HydrophobicContact CG2-CG2 3.97Å
212E97.8Very high98.3Very high127 Ų12755 Ų5559%0.59330%0.3SS*.G310 helixtrans-67.3-19.5178.9-57.778.2-172.400112.9P210 N218P210-E212 PolarHBondContact O-N 3.46Å; E212-N218 PolarHBondContact O-ND2 2.78Å
213Q98.4Very high98.2Very high129 Ų12961.3 Ų61.360%0.60333%0.33SS*.G310 helixtrans-103.3-2.5178.6-62.7176.421.800112.3W207 P210 V211 P215W207-Q213 HydrophobicContact CH2-CB 3.9Å; W207-Q213 HydrophobicContact CZ2-CB 4.08Å; P210-Q213 HydrophobicContact CB-CG 4.37Å; P210-Q213 PolarHBondContact O-N 3.39Å; V211-Q213 PolarHBondContact O-N 3.5Å; Q213-P215 WeakPolarHBondContact O-CD 3.27Å
214H98.6Very high98.2Very high5 Ų557.9 Ų57.92%0.02330%0.302CS..  trans-65.6125-176.2-169.8-26.7000110.1F153 N204 W207 P210 V211 L216 V217 N218F153-H214 AromaticContact CE2-CD2 3.4Å; F153-H214 VanDerWaalsContact CE2-CD2 3.4Å; F153-H214 WeakPolarHBondContact CE2-CD2 3.4Å; F153-H214 AromaticContact CE2-NE2 3.67Å; F153-H214 AromaticContact CZ-CD2 3.89Å; N204-H214 PolarHBondContact O-CE1 2.94Å; W207-H214 HydrophobicContact CE3-CB 3.7Å; W207-H214 AromaticContact CE3-CD2 3.72Å; W207-H214 AromaticContact CE3-CG 3.49Å; W207-H214 VanDerWaalsContact CE3-CG 3.49Å; W207-H214 AromaticContact CE3-ND1 3.85Å; W207-H214 HydrophobicContact CH2-CB 4.26Å; W207-H214 VanDerWaalsContact CZ3-CA 3.48Å; W207-H214 HydrophobicContact CZ3-CB 3.54Å; W207-H214 AromaticContact CZ3-CG 3.87Å; P210-H214 PolarHBondContact O-N 3.38Å; V211-H214 WeakPolarHBondContact O-CB 2.95Å; V211-H214 PolarHBondContact O-N 3.28Å; V211-H214 VanDerWaalsContact O-N 3.16Å; H214-L216 PolarHBondContact ND1-N 3.24Å; H214-L216 VanDerWaalsContact ND1-N 3.19Å; H214-L216 PolarHBondContact O-N 2.86Å; H214-L216 VanDerWaalsContact O-N 3.11Å; H214-V217 HydrophobicContact CB-CB 3.97Å; H214-V217 HydrophobicContact CB-CG2 3.82Å; H214-V217 WeakPolarHBondContact O-CB 3.41Å; H214-V217 PolarHBondContact O-N 3.15Å; H214-N218 PolarHBondContact O-N 3.28Å; H214-N218 PolarHBondContact O-ND2 3.41Å
215P98.7Very high98.2Very high23 Ų2356.5 Ų56.515%0.14930%0.295CS..THydrogen-bonded Turntrans-57.4-29.7-177.9-30.537.9000114.5Y200 N204 W207 Q213 N218 Y219Y200-P215 HydrophobicContact CE2-CB 4.32Å; Y200-P215 WeakPolarHBondContact OH-CA 3.38Å; Y200-P215 WeakPolarHBondContact OH-CB 3.45Å; Y200-P215 PolarHBondContact OH-O 3.37Å; N204-P215 HydrophobicContact CB-CB 4.01Å; N204-P215 HydrophobicContact CB-CG 4.44Å; N204-P215 WeakPolarHBondContact OD1-CG 3.27Å; W207-P215 VanDerWaalsContact CD2-CD 3.48Å; W207-P215 HydrophobicContact CD2-CG 4.45Å; W207-P215 HydrophobicContact CG-CG 4.12Å; Q213-P215 WeakPolarHBondContact O-CD 3.27Å; P215-N218 CarbonylContact O-C 3.59Å; P215-N218 VanDerWaalsContact O-C 3.29Å; P215-Y219 WeakPolarHBondContact O-CA 3.17Å; P215-Y219 PolarHBondContact O-N 2.95Å
216L98.8Very high98.2Very high0 Ų060.5 Ų60.50%032%0.32CS..THydrogen-bonded Turntrans-84.4-22.8177.6-55.8-173.5000112.8Y200 V201 N204 L205 H214 Y235 L238 L239 L242Y200-L216 HydrophobicContact CD1-CD2 4.42Å; Y200-L216 HydrophobicContact CE1-CD2 4.13Å; V201-L216 HydrophobicContact CB-CD2 4.24Å; V201-L216 HydrophobicContact CG1-CD1 4.34Å; V201-L216 HydrophobicContact CG1-CD2 4.23Å; V201-L216 HydrophobicContact CG2-CD2 4.1Å; N204-L216 HydrophobicContact CB-CD1 4.28Å; N204-L216 HydrophobicContact CB-CD2 3.85Å; N204-L216 HydrophobicContact CB-CG 3.89Å; L205-L216 HydrophobicContact CD2-CD1 4.14Å; H214-L216 PolarHBondContact ND1-N 3.24Å; H214-L216 VanDerWaalsContact ND1-N 3.19Å; H214-L216 PolarHBondContact O-N 2.86Å; H214-L216 VanDerWaalsContact O-N 3.11Å; L216-Y235 WeakPolarHBondContact CA-OH 3.2Å; L216-Y235 WeakPolarHBondContact CB-OH 3.29Å; L216-Y235 VanDerWaalsContact O-CE1 3.29Å; L216-Y235 WeakPolarHBondContact O-CE1 3.44Å; L216-Y235 PolarHBondContact O-OH 2.92Å; L216-L238 HydrophobicContact CD1-CD2 4.47Å; L216-L239 HydrophobicContact CB-CD2 4.18Å; L216-L242 HydrophobicContact CB-CD1 4.35Å; L216-L242 HydrophobicContact CD1-CD1 3.45Å; L216-L242 VanDerWaalsContact CD1-CD1 3.45Å; L216-L242 HydrophobicContact CG-CD1 4.5Å
217V98.8Very high98.1Very high10 Ų1060.2 Ų60.26%0.06132%0.315CS..THydrogen-bonded Turntrans-71.9-38.6166.7168.20000110A149 A150 F153 V211 H214 Y219 L239A149-V217 HydrophobicContact CB-CG1 4.16Å; A149-V217 VanDerWaalsContact CB-O 3.28Å; A149-V217 WeakPolarHBondContact CB-O 3.28Å; A150-V217 HydrophobicContact CB-CG1 3.7Å; F153-V217 HydrophobicContact CB-CG2 4.13Å; F153-V217 HydrophobicContact CD2-CG2 4.08Å; F153-V217 HydrophobicContact CG-CG2 4.3Å; V211-V217 HydrophobicContact CG2-CG2 3.97Å; H214-V217 HydrophobicContact CB-CB 3.97Å; H214-V217 HydrophobicContact CB-CG2 3.82Å; H214-V217 WeakPolarHBondContact O-CB 3.41Å; H214-V217 PolarHBondContact O-N 3.15Å; V217-Y219 VanDerWaalsContact C-N 3.3Å; V217-Y219 PolarHBondContact O-N 3.44Å; V217-L239 HydrophobicContact CG2-CD2 4.42Å
218N98.7Very high98.2Very high55 Ų5557 Ų5729%0.29430%0.303SS..THydrogen-bonded Turntrans-9534.9177.4-58.8-55.9000112.5E212 H214 P215 L220 D221E212-N218 PolarHBondContact O-ND2 2.78Å; H214-N218 PolarHBondContact O-N 3.28Å; H214-N218 PolarHBondContact O-ND2 3.41Å; P215-N218 CarbonylContact O-C 3.59Å; P215-N218 VanDerWaalsContact O-C 3.29Å; N218-L220 PolarHBondContact O-N 3.03Å; N218-D221 WeakPolarHBondContact O-CB 3.34Å; N218-D221 PolarHBondContact O-N 2.95Å
219Y98.6Very high98.2Very high15 Ų1551 Ų516%0.05928%0.275CS..G310 helixtrans-58.8-24-171.572.1-83.8000114.7A149 F197 P215 V217 D221 H222 N229 Y235A149-Y219 HydrophobicContact CB-CE1 4.4Å; F197-Y219 HydrophobicContact CE2-CD2 4.42Å; F197-Y219 WeakPolarHBondContact CE2-O 3.43Å; F197-Y219 AromaticContact CZ-CD2 3.91Å; F197-Y219 HydrophobicContact CZ-CD2 3.91Å; F197-Y219 HydrophobicContact CZ-CG 4.37Å; P215-Y219 WeakPolarHBondContact O-CA 3.17Å; P215-Y219 PolarHBondContact O-N 2.95Å; V217-Y219 VanDerWaalsContact C-N 3.3Å; V217-Y219 PolarHBondContact O-N 3.44Å; Y219-D221 PolarHBondContact O-N 3.32Å; Y219-H222 PolarHBondContact O-N 2.97Å; Y219-N229 HydrophobicContact CE2-CB 3.92Å; Y219-Y235 WeakPolarHBondContact CB-OH 3.46Å; Y219-Y235 AromaticContact CD1-CD1 3.61Å; Y219-Y235 HydrophobicContact CD1-CD1 3.61Å; Y219-Y235 AromaticContact CD1-CE1 3.3Å; Y219-Y235 HydrophobicContact CD1-CE1 3.3Å; Y219-Y235 AromaticContact CD1-CZ 3.98Å; Y219-Y235 HydrophobicContact CD2-CD1 4.12Å; Y219-Y235 HydrophobicContact CD2-CD2 4.31Å; Y219-Y235 HydrophobicContact CD2-CE1 4.1Å; Y219-Y235 HydrophobicContact CD2-CE2 4.3Å; Y219-Y235 HydrophobicContact CD2-CG 4.23Å; Y219-Y235 AromaticContact CE1-CD1 3.67Å; Y219-Y235 HydrophobicContact CE1-CD1 3.67Å; Y219-Y235 AromaticContact CE1-CE1 3.87Å; Y219-Y235 HydrophobicContact CE1-CE1 3.87Å; Y219-Y235 HydrophobicContact CE1-CG 4.49Å; Y219-Y235 HydrophobicContact CE2-CD1 4.16Å; Y219-Y235 HydrophobicContact CE2-CG 4.21Å; Y219-Y235 AromaticContact CG-CD1 3.85Å; Y219-Y235 HydrophobicContact CG-CD1 3.85Å; Y219-Y235 AromaticContact CG-CE1 3.44Å; Y219-Y235 HydrophobicContact CG-CE1 3.44Å; Y219-Y235 VanDerWaalsContact CG-CE1 3.44Å; Y219-Y235 HydrophobicContact CG-CE2 4.18Å; Y219-Y235 HydrophobicContact CG-CG 4.38Å; Y219-Y235 AromaticContact CG-CZ 3.62Å; Y219-Y235 AromaticContact CZ-CD1 3.95Å
220L98.4Very high98.3Very high82 Ų8251.5 Ų51.543%0.42927%0.271SS..G310 helixtrans-71.2-15.7176.7-66.6176.9000113.5N218 H222N218-L220 PolarHBondContact O-N 3.03Å; L220-H222 VanDerWaalsContact C-N 3.25Å; L220-H222 PolarHBondContact O-N 3.44Å
221D98.3Very high98.3Very high136 Ų13652 Ų5273%0.72727%0.272SS*.G310 helixtrans-73.8-19.5176.1-66.8-10.2000112.1N218 Y219N218-D221 WeakPolarHBondContact O-CB 3.34Å; N218-D221 PolarHBondContact O-N 2.95Å; Y219-D221 PolarHBondContact O-N 3.32Å
222H98.5Very high98.3Very high30 Ų3053.7 Ų53.714%0.13928%0.284CS..SBendtrans-71.9138.8170.6-176.1-87.3000110.3S196 F197 Y200 Y219 L220 G224 G225S196-H222 PolarHBondContact OG-CE1 3.39Å; F197-H222 HydrophobicContact CD2-CB 4.11Å; F197-H222 AromaticContact CD2-CG 3.93Å; F197-H222 AromaticContact CD2-ND1 3.51Å; F197-H222 HydrophobicContact CE2-CB 4.19Å; Y200-H222 HydrophobicContact CD1-CB 4.06Å; Y200-H222 AromaticContact CD1-CD2 4Å; Y200-H222 AromaticContact CD2-CD2 3.46Å; Y200-H222 VanDerWaalsContact CD2-CD2 3.46Å; Y200-H222 WeakPolarHBondContact CD2-CD2 3.49Å; Y200-H222 HydrophobicContact CE1-CB 3.96Å; Y200-H222 HydrophobicContact CE2-CB 4.45Å; Y200-H222 HydrophobicContact CG-CB 4.35Å; Y200-H222 AromaticContact CG-CD2 3.42Å; Y200-H222 VanDerWaalsContact CG-CD2 3.42Å; Y200-H222 AromaticContact CG-CG 3.94Å; Y219-H222 PolarHBondContact O-N 2.97Å; L220-H222 VanDerWaalsContact C-N 3.25Å; L220-H222 PolarHBondContact O-N 3.44Å; H222-G224 PolarHBondContact ND1-N 2.99Å; H222-G224 PolarHBondContact O-N 2.81Å; H222-G224 VanDerWaalsContact O-N 3.1Å; H222-G225 PolarHBondContact O-N 3.14Å
223E97.9Very high98.3Very high174 Ų17449 Ų4981%0.81326%0.262SS*.THydrogen-bonded Turntrans-55.1-35.5-17762.9177.817200113.8
224G97.9Very high98.3Very high3 Ų343.3 Ų43.33%0.03124%0.235CC..THydrogen-bonded Turntrans-83.9-8.4175.400000114.8H222 L227 S228H222-G224 PolarHBondContact ND1-N 2.99Å; H222-G224 PolarHBondContact O-N 2.81Å; H222-G224 VanDerWaalsContact O-N 3.1Å; G224-L227 PolarHBondContact O-N 2.72Å; G224-S228 WeakPolarHBondContact O-CB 3.47Å; G224-S228 PolarHBondContact O-N 2.78Å; G224-S228 PolarHBondContact O-OG 2.86Å
225G98.4Very high98.3Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-62.6-49.2-169.500000113.8F197 H222 S228 N229F197-G225 VanDerWaalsContact CE2-CA 3.43Å; H222-G225 PolarHBondContact O-N 3.14Å; G225-S228 PolarHBondContact O-N 3.32Å; G225-N229 PolarHBondContact O-N 3.39Å
226T97.9Very high98.3Very high92 Ų9242.3 Ų42.356%0.56423%0.229SC*.Hα-helixtrans-66.9-37.8178.3-62.80000111.9N229T226-N229 CarbonylContact O-C 3.37Å
227L97.7Very high98.3Very high75 Ų7542.3 Ų42.339%0.39323%0.229SC..Hα-helixtrans-73.9-34.9179.9-17258.7000111.7N178 W193 G224N178-L227 WeakPolarHBondContact CB-O 3.48Å; N178-L227 PolarHBondContact ND2-O 2.74Å; W193-L227 HydrophobicContact CB-CD2 4.3Å; W193-L227 HydrophobicContact CD2-CD2 3.51Å; W193-L227 HydrophobicContact CD2-CG 3.84Å; W193-L227 HydrophobicContact CE3-CB 4.33Å; W193-L227 HydrophobicContact CE3-CD2 4.14Å; W193-L227 HydrophobicContact CE3-CG 3.97Å; W193-L227 HydrophobicContact CG-CD2 3.56Å; W193-L227 HydrophobicContact CG-CG 4.37Å; W193-L227 HydrophobicContact CH2-CG 4.26Å; W193-L227 HydrophobicContact CZ2-CD2 4.24Å; W193-L227 HydrophobicContact CZ2-CG 4.12Å; W193-L227 HydrophobicContact CZ3-CG 4.21Å; G224-L227 PolarHBondContact O-N 2.72Å
228S98.6Very high98.4Very high0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-70.5-32.8175-690000113.1H177 F197 G224 G225H177-S228 CarbonylContact C-O 3.56Å; H177-S228 PolarHBondContact N-O 3.47Å; F197-S228 VanDerWaalsContact CB-OG 3.29Å; F197-S228 WeakPolarHBondContact CB-OG 3.39Å; F197-S228 WeakPolarHBondContact CG-OG 3.5Å; G224-S228 WeakPolarHBondContact O-CB 3.47Å; G224-S228 PolarHBondContact O-N 2.78Å; G224-S228 PolarHBondContact O-OG 2.86Å; G225-S228 PolarHBondContact O-N 3.32Å
229N98.3Very high98.4Very high4 Ų439.2 Ų39.22%0.02121%0.212CC..  trans-133.677.3-174.8-59.7-73.6000110.3V175 F197 Y219 G225 T226 T231V175-N229 PolarHBondContact O-ND2 2.77Å; V175-N229 PolarHBondContact O-OD1 2.99Å; F197-N229 WeakPolarHBondContact CE1-ND2 3.39Å; Y219-N229 HydrophobicContact CE2-CB 3.92Å; G225-N229 PolarHBondContact O-N 3.39Å; T226-N229 CarbonylContact O-C 3.37Å; N229-T231 PolarHBondContact O-N 2.84Å; N229-T231 VanDerWaalsContact O-N 3.15Å
230P97.8Very high98.4Very high52 Ų5238.7 Ų38.734%0.33821%0.21SC..SBendtrans-58.9-25.1177.6-2434.9000113.4H177 N178H177-P230 WeakPolarHBondContact O-CD 3.46Å; N178-P230 HydrophobicContact CB-CG 4.03Å
231T97.8Very high98.4Very high73 Ų7334.9 Ų34.945%0.44819%0.19SC..SBendtrans-136.5153.3172.453.30000108.4N229 E233N229-T231 PolarHBondContact O-N 2.84Å; N229-T231 VanDerWaalsContact O-N 3.15Å; T231-E233 VanDerWaalsContact C-OE2 3.27Å; T231-E233 WeakPolarHBondContact CB-OE2 3.27Å; T231-E233 PolarHBondContact OG1-OE1 3.04Å; T231-E233 PolarHBondContact OG1-OE2 2.9Å
232P98Very high98.4Very high42 Ų4228.5 Ų28.527%0.27316%0.156SC..SBendtrans-85.6-19.1-165.134.3-37.4000114.5F59 H234 Y235 L236F59-P232 HydrophobicContact CZ-CG 3.84Å; P232-H234 VanDerWaalsContact C-N 3.3Å; P232-H234 PolarHBondContact O-N 3.33Å; P232-Y235 WeakPolarHBondContact O-CB 3.44Å; P232-Y235 PolarHBondContact O-N 3.4Å; P232-L236 HydrophobicContact CB-CD1 3.91Å; P232-L236 HydrophobicContact CB-CG 4.04Å; P232-L236 HydrophobicContact CG-CD1 4.27Å; P232-L236 WeakPolarHBondContact O-CG 3.45Å; P232-L236 PolarHBondContact O-N 3.45Å
233E98.5Very high98.4Very high29 Ų2927.2 Ų27.214%0.13615%0.151CC..THydrogen-bonded Turntrans-59.3-34.6-164.472.5-64152.900114.2A56 F59 T231 P237A56-E233 WeakPolarHBondContact CA-O 3.25Å; A56-E233 VanDerWaalsContact CB-O 3.27Å; A56-E233 WeakPolarHBondContact CB-O 3.31Å; F59-E233 HydrophobicContact CB-CB 4.1Å; F59-E233 HydrophobicContact CD1-CB 3.93Å; F59-E233 HydrophobicContact CD2-CB 3.89Å; F59-E233 HydrophobicContact CE1-CB 4.25Å; F59-E233 HydrophobicContact CE2-CB 4.2Å; F59-E233 HydrophobicContact CG-CB 3.74Å; F59-E233 HydrophobicContact CZ-CB 4.37Å; T231-E233 VanDerWaalsContact C-OE2 3.27Å; T231-E233 WeakPolarHBondContact CB-OE2 3.27Å; T231-E233 PolarHBondContact OG1-OE1 3.04Å; T231-E233 PolarHBondContact OG1-OE2 2.9Å; E233-P237 WeakPolarHBondContact O-CD 3.29Å
234H98.6Very high98.5Very high10 Ų1019 Ų195%0.04611%0.112CC..THydrogen-bonded Turntrans-77.4-21.5176.9-77.878.4000113.7H22 A56 H57 G173 N174 H177 P232H22-H234 AromaticContact CE1-CD2 3.76Å; H22-H234 AromaticContact CE1-NE2 3.69Å; H22-H234 AromaticContact NE2-CD2 3.44Å; H22-H234 PolarHBondContact NE2-CD2 3.02Å; H22-H234 AromaticContact NE2-NE2 3.31Å; H22-H234 PolarHBondContact NE2-NE2 3.46Å; A56-H234 HydrophobicContact CB-CB 4.35Å; H57-H234 AromaticContact NE2-CE1 3.9Å; H57-H234 AromaticContact NE2-NE2 3.36Å; H57-H234 PolarHBondContact NE2-NE2 3.43Å; G173-H234 CarbonylContact C-O 3.56Å; G173-H234 WeakPolarHBondContact CA-O 3.39Å; N174-H234 CarbonylContact C-O 3.58Å; N174-H234 PolarHBondContact N-O 3.14Å; N174-H234 CarbonylContact O-C 3.47Å; N174-H234 VanDerWaalsContact O-O 3.11Å; H177-H234 HydrophobicContact CB-CB 3.63Å; H177-H234 AromaticContact CD2-CD2 3.44Å; H177-H234 PolarHBondContact CD2-CD2 2.77Å; H177-H234 VanDerWaalsContact CD2-CD2 3.44Å; H177-H234 AromaticContact CD2-CG 3.73Å; H177-H234 AromaticContact CD2-NE2 3.8Å; H177-H234 AromaticContact CE1-CD2 3.89Å; H177-H234 AromaticContact CE1-CE1 3.4Å; H177-H234 PolarHBondContact CE1-CE1 3.04Å; H177-H234 VanDerWaalsContact CE1-CE1 3.4Å; H177-H234 AromaticContact CE1-CG 3.84Å; H177-H234 AromaticContact CE1-ND1 3.51Å; H177-H234 AromaticContact CE1-NE2 3.63Å; H177-H234 AromaticContact CG-CD2 3.68Å; H177-H234 AromaticContact CG-CG 3.45Å; H177-H234 VanDerWaalsContact CG-CG 3.45Å; H177-H234 AromaticContact CG-ND1 3.84Å; H177-H234 AromaticContact ND1-CD2 3.95Å; H177-H234 AromaticContact ND1-CE1 3.79Å; H177-H234 AromaticContact ND1-CG 3.53Å; H177-H234 AromaticContact ND1-ND1 3.4Å; H177-H234 PolarHBondContact ND1-ND1 2.81Å; H177-H234 AromaticContact NE2-CD2 3.66Å; H177-H234 AromaticContact NE2-CE1 3.75Å; H177-H234 AromaticContact NE2-NE2 3.47Å; H177-H234 PolarHBondContact NE2-NE2 2.91Å; P232-H234 VanDerWaalsContact C-N 3.3Å; P232-H234 PolarHBondContact O-N 3.33Å
235Y98.9Very high98.5Very high0 Ų020.9 Ų20.90%012%0.118CC..THydrogen-bonded Turntrans-88.8-43.2-179.8-175.9-91.8000112.5V175 F197 V201 L216 Y219 P232 P237 L238 L239V175-Y235 HydrophobicContact CB-CD2 4.36Å; V175-Y235 HydrophobicContact CB-CE2 4.41Å; V175-Y235 HydrophobicContact CG1-CE2 4.49Å; F197-Y235 HydrophobicContact CE1-CD2 4.12Å; F197-Y235 AromaticContact CE1-CE2 3.81Å; F197-Y235 HydrophobicContact CE1-CE2 3.81Å; F197-Y235 HydrophobicContact CZ-CD2 4.23Å; F197-Y235 AromaticContact CZ-CE2 3.71Å; F197-Y235 HydrophobicContact CZ-CE2 3.71Å; V201-Y235 HydrophobicContact CG2-CE2 4.13Å; L216-Y235 WeakPolarHBondContact CA-OH 3.2Å; L216-Y235 WeakPolarHBondContact CB-OH 3.29Å; L216-Y235 VanDerWaalsContact O-CE1 3.29Å; L216-Y235 WeakPolarHBondContact O-CE1 3.44Å; L216-Y235 PolarHBondContact O-OH 2.92Å; Y219-Y235 WeakPolarHBondContact CB-OH 3.46Å; Y219-Y235 AromaticContact CD1-CD1 3.61Å; Y219-Y235 HydrophobicContact CD1-CD1 3.61Å; Y219-Y235 AromaticContact CD1-CE1 3.3Å; Y219-Y235 HydrophobicContact CD1-CE1 3.3Å; Y219-Y235 AromaticContact CD1-CZ 3.98Å; Y219-Y235 HydrophobicContact CD2-CD1 4.12Å; Y219-Y235 HydrophobicContact CD2-CD2 4.31Å; Y219-Y235 HydrophobicContact CD2-CE1 4.1Å; Y219-Y235 HydrophobicContact CD2-CE2 4.3Å; Y219-Y235 HydrophobicContact CD2-CG 4.23Å; Y219-Y235 AromaticContact CE1-CD1 3.67Å; Y219-Y235 HydrophobicContact CE1-CD1 3.67Å; Y219-Y235 AromaticContact CE1-CE1 3.87Å; Y219-Y235 HydrophobicContact CE1-CE1 3.87Å; Y219-Y235 HydrophobicContact CE1-CG 4.49Å; Y219-Y235 HydrophobicContact CE2-CD1 4.16Å; Y219-Y235 HydrophobicContact CE2-CG 4.21Å; Y219-Y235 AromaticContact CG-CD1 3.85Å; Y219-Y235 HydrophobicContact CG-CD1 3.85Å; Y219-Y235 AromaticContact CG-CE1 3.44Å; Y219-Y235 HydrophobicContact CG-CE1 3.44Å; Y219-Y235 VanDerWaalsContact CG-CE1 3.44Å; Y219-Y235 HydrophobicContact CG-CE2 4.18Å; Y219-Y235 HydrophobicContact CG-CG 4.38Å; Y219-Y235 AromaticContact CG-CZ 3.62Å; Y219-Y235 AromaticContact CZ-CD1 3.95Å; P232-Y235 WeakPolarHBondContact O-CB 3.44Å; P232-Y235 PolarHBondContact O-N 3.4Å; Y235-P237 VanDerWaalsContact C-N 3.34Å; Y235-L238 WeakPolarHBondContact O-CB 3.4Å; Y235-L238 PolarHBondContact O-N 3.34Å; Y235-L238 VanDerWaalsContact O-N 3.15Å; Y235-L239 HydrophobicContact CE1-CD1 4.35Å; Y235-L239 HydrophobicContact CE1-CD2 4.23Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å
236L98.9Very high98.3Very high6 Ų624.5 Ų24.53%0.03114%0.138CC..Hα-helixtrans-52.4-35.9-174.8-68.8174.9000115.8F59 I143 A149 H152 P232 L238 L239 Y240F59-L236 HydrophobicContact CE2-CD1 4.05Å; I143-L236 HydrophobicContact CG2-CB 4.19Å; I143-L236 HydrophobicContact CG2-CD1 3.65Å; A149-L236 HydrophobicContact CB-CD2 4.24Å; H152-L236 HydrophobicContact CB-CD2 4.48Å; P232-L236 HydrophobicContact CB-CD1 3.91Å; P232-L236 HydrophobicContact CB-CG 4.04Å; P232-L236 HydrophobicContact CG-CD1 4.27Å; P232-L236 WeakPolarHBondContact O-CG 3.45Å; P232-L236 PolarHBondContact O-N 3.45Å; L236-L238 PolarHBondContact O-N 2.85Å; L236-L239 HydrophobicContact CD2-CD1 4.05Å; L236-L239 WeakPolarHBondContact O-CB 3.12Å; L236-L239 PolarHBondContact O-N 2.89Å; L236-Y240 WeakPolarHBondContact O-CD2 3.31Å
237P98.9Very high98.2Very high0 Ų021 Ų210%012%0.12CC..Hα-helixtrans-54.7-34178-24.129.2000113.6F19 V54 A56 I143 A171 S172 E233 Y235 L239 Y240 V241F19-P237 HydrophobicContact CD2-CB 4.17Å; F19-P237 HydrophobicContact CE2-CB 4.05Å; V54-P237 HydrophobicContact CG1-CB 4.49Å; A56-P237 HydrophobicContact CB-CG 4.15Å; I143-P237 HydrophobicContact CD1-CG 3.79Å; A171-P237 HydrophobicContact CB-CB 3.78Å; A171-P237 WeakPolarHBondContact CB-O 3.45Å; S172-P237 VanDerWaalsContact O-CG 3.23Å; S172-P237 WeakPolarHBondContact O-CG 3.05Å; E233-P237 WeakPolarHBondContact O-CD 3.29Å; Y235-P237 VanDerWaalsContact C-N 3.34Å; P237-L239 PolarHBondContact O-N 2.86Å; P237-Y240 PolarHBondContact O-N 3.3Å; P237-V241 PolarHBondContact O-N 3.37Å
238L98.9Very high98.2Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-58.1-37175.9175.363000111.7F19 V175 V201 L205 L216 Y235 L236 Y240 V241 L242 V268F19-L238 HydrophobicContact CB-CD1 3.93Å; F19-L238 HydrophobicContact CD1-CB 4.47Å; F19-L238 HydrophobicContact CD1-CD1 3.96Å; F19-L238 HydrophobicContact CD2-CB 3.83Å; F19-L238 HydrophobicContact CD2-CD1 4.43Å; F19-L238 HydrophobicContact CE2-CB 3.93Å; F19-L238 HydrophobicContact CG-CB 4.1Å; F19-L238 HydrophobicContact CG-CD1 3.84Å; F19-L238 HydrophobicContact CZ-CB 4.29Å; V175-L238 HydrophobicContact CG1-CD2 3.8Å; V201-L238 HydrophobicContact CG1-CD2 3.68Å; L205-L238 HydrophobicContact CD2-CD1 4.28Å; L216-L238 HydrophobicContact CD1-CD2 4.47Å; Y235-L238 WeakPolarHBondContact O-CB 3.4Å; Y235-L238 PolarHBondContact O-N 3.34Å; Y235-L238 VanDerWaalsContact O-N 3.15Å; L236-L238 PolarHBondContact O-N 2.85Å; L238-Y240 VanDerWaalsContact C-N 3.34Å; L238-Y240 PolarHBondContact O-N 2.99Å; L238-V241 WeakPolarHBondContact O-CB 3.1Å; L238-V241 PolarHBondContact O-N 3.11Å; L238-L242 HydrophobicContact CD1-CD1 4.19Å; L238-L242 HydrophobicContact CD1-CD2 4.5Å; L238-L242 HydrophobicContact CD1-CG 4.05Å; L238-L242 HydrophobicContact CD2-CD1 4.32Å; L238-L242 HydrophobicContact CG-CD1 3.89Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 2.93Å; L238-V268 HydrophobicContact CD1-CB 4.44Å; L238-V268 HydrophobicContact CD1-CG2 4.11Å
239L98.9Very high98.1Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-70.1-30.9-177.4-56.9-178.5000112.4A149 H152 F153 L216 V217 Y235 L236 P237 V241 L242 G243A149-L239 HydrophobicContact CB-CD1 3.62Å; A149-L239 WeakPolarHBondContact O-CD1 3.29Å; H152-L239 HydrophobicContact CB-CB 4.3Å; F153-L239 WeakPolarHBondContact CA-O 3.49Å; F153-L239 HydrophobicContact CB-CB 4.34Å; F153-L239 HydrophobicContact CD2-CD2 4.45Å; L216-L239 HydrophobicContact CB-CD2 4.18Å; V217-L239 HydrophobicContact CG2-CD2 4.42Å; Y235-L239 HydrophobicContact CE1-CD1 4.35Å; Y235-L239 HydrophobicContact CE1-CD2 4.23Å; Y235-L239 HydrophobicContact CE1-CG 4.3Å; L236-L239 HydrophobicContact CD2-CD1 4.05Å; L236-L239 WeakPolarHBondContact O-CB 3.12Å; L236-L239 PolarHBondContact O-N 2.89Å; P237-L239 PolarHBondContact O-N 2.86Å; L239-V241 VanDerWaalsContact C-N 3.29Å; L239-V241 PolarHBondContact O-N 2.96Å; L239-L242 HydrophobicContact CD2-CD1 4.44Å; L239-G243 PolarHBondContact O-N 2.86Å
240Y98.9Very high98Very high4 Ų430.5 Ų30.52%0.01617%0.169CC..Hα-helixtrans-63.6-38.5172-74.1-100.7000111.3V54 L141 I143 H152 M155 G156 L159 L236 P237 L238 A244V54-Y240 HydrophobicContact CB-CG 4.46Å; V54-Y240 HydrophobicContact CG1-CD1 4.36Å; V54-Y240 HydrophobicContact CG1-CD2 3.8Å; V54-Y240 HydrophobicContact CG1-CE1 4.4Å; V54-Y240 HydrophobicContact CG1-CE2 3.85Å; V54-Y240 HydrophobicContact CG1-CG 4.05Å; V54-Y240 HydrophobicContact CG2-CD1 3.92Å; V54-Y240 HydrophobicContact CG2-CE1 4.34Å; V54-Y240 HydrophobicContact CG2-CG 4.06Å; L141-Y240 HydrophobicContact CD2-CD1 4.4Å; L141-Y240 HydrophobicContact CD2-CE1 3.95Å; I143-Y240 HydrophobicContact CG1-CE2 4.31Å; H152-Y240 HydrophobicContact CB-CD2 4.04Å; H152-Y240 HydrophobicContact CB-CE2 3.6Å; H152-Y240 AromaticContact CG-CE2 3.78Å; H152-Y240 AromaticContact ND1-CE2 3.32Å; H152-Y240 VanDerWaalsContact ND1-CE2 3.32Å; H152-Y240 WeakPolarHBondContact ND1-CE2 3.04Å; H152-Y240 AromaticContact ND1-CZ 3.43Å; H152-Y240 PolarHBondContact ND1-OH 2.7Å; M155-Y240 HydrophobicContact CB-CD1 3.82Å; M155-Y240 HydrophobicContact CB-CE1 3.45Å; M155-Y240 VanDerWaalsContact CB-CE1 3.45Å; M155-Y240 HydrophobicContact CG-CE1 4.15Å; G156-Y240 WeakPolarHBondContact CA-O 3.41Å; L159-Y240 HydrophobicContact CD1-CD1 3.77Å; L159-Y240 HydrophobicContact CD1-CE1 4.46Å; L236-Y240 WeakPolarHBondContact O-CD2 3.31Å; P237-Y240 PolarHBondContact O-N 3.3Å; L238-Y240 VanDerWaalsContact C-N 3.34Å; L238-Y240 PolarHBondContact O-N 2.99Å; Y240-A244 PolarHBondContact O-N 3.44Å
241V98.8Very high98Very high2 Ų229.5 Ų29.51%0.01216%0.161CC..Hα-helixtrans-70-51.8178.4173.40000110.1A17 L18 F19 A171 P237 L238 L239 G243 A244 I270A17-V241 HydrophobicContact CB-CG1 4.09Å; L18-V241 VanDerWaalsContact O-CG2 3.26Å; L18-V241 WeakPolarHBondContact O-CG2 2.98Å; F19-V241 HydrophobicContact CB-CB 4.28Å; F19-V241 HydrophobicContact CB-CG1 4.32Å; F19-V241 HydrophobicContact CB-CG2 4.01Å; A171-V241 HydrophobicContact CB-CG2 3.44Å; A171-V241 VanDerWaalsContact CB-CG2 3.44Å; P237-V241 PolarHBondContact O-N 3.37Å; L238-V241 WeakPolarHBondContact O-CB 3.1Å; L238-V241 PolarHBondContact O-N 3.11Å; L239-V241 VanDerWaalsContact C-N 3.29Å; L239-V241 PolarHBondContact O-N 2.96Å; V241-G243 VanDerWaalsContact C-N 3.28Å; V241-G243 PolarHBondContact O-N 3.01Å; V241-A244 WeakPolarHBondContact O-CA 3.13Å; V241-A244 WeakPolarHBondContact O-CB 3.08Å; V241-A244 PolarHBondContact O-N 3.01Å; V241-I270 HydrophobicContact CG1-CD1 3.55Å; V241-I270 HydrophobicContact CG1-CG1 4.22Å; V241-I270 WeakPolarHBondContact O-CD1 3.4Å
242L98.8Very high98.1Very high3 Ų329 Ų292%0.01616%0.158CC..Hα-helixtrans-61-36.5178.4-65.7177.4000112.9F153 L205 L216 L238 L239 A244 W245 I251F153-L242 HydrophobicContact CD2-CB 4.22Å; F153-L242 HydrophobicContact CE2-CB 3.65Å; F153-L242 HydrophobicContact CZ-CB 4.45Å; L205-L242 HydrophobicContact CD2-CD2 4.11Å; L216-L242 HydrophobicContact CB-CD1 4.35Å; L216-L242 HydrophobicContact CD1-CD1 3.45Å; L216-L242 VanDerWaalsContact CD1-CD1 3.45Å; L216-L242 HydrophobicContact CG-CD1 4.5Å; L238-L242 HydrophobicContact CD1-CD1 4.19Å; L238-L242 HydrophobicContact CD1-CD2 4.5Å; L238-L242 HydrophobicContact CD1-CG 4.05Å; L238-L242 HydrophobicContact CD2-CD1 4.32Å; L238-L242 HydrophobicContact CG-CD1 3.89Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 2.93Å; L239-L242 HydrophobicContact CD2-CD1 4.44Å; L242-A244 PolarHBondContact O-N 3.16Å; L242-W245 WeakPolarHBondContact O-CB 3.4Å; L242-W245 PolarHBondContact O-N 2.94Å; L242-W245 VanDerWaalsContact O-N 3.14Å; L242-I251 HydrophobicContact CD2-CD1 4.4Å
243G98.5Very high98.1Very high3 Ų330 Ų303%0.03116%0.16CC..Hα-helixtrans-62.1-28.517400000113.1F153 G156 R157 L239 V241 W245F153-G243 WeakPolarHBondContact O-CA 3.22Å; G156-G243 CarbonylContact C-O 3.52Å; R157-G243 WeakPolarHBondContact CA-O 3.32Å; R157-G243 WeakPolarHBondContact CG-O 3.26Å; R157-G243 PolarHBondContact N-O 2.95Å; L239-G243 PolarHBondContact O-N 2.86Å; V241-G243 VanDerWaalsContact C-N 3.28Å; V241-G243 PolarHBondContact O-N 3.01Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.79Å
244A98.5Very high98.1Very high0 Ų030.5 Ų30.50%017%0.166CC..THydrogen-bonded Turntrans-81.7-2.6178.300000114.1R14 A17 G156 A160 R163 L169 Y240 V241 L242R14-A244 PolarHBondContact NH2-O 2.82Å; A17-A244 HydrophobicContact CB-CB 4.4Å; G156-A244 WeakPolarHBondContact O-CA 3.45Å; A160-A244 HydrophobicContact CB-CB 4.21Å; R163-A244 PolarHBondContact NH1-O 3.09Å; L169-A244 HydrophobicContact CD1-CB 3.59Å; Y240-A244 PolarHBondContact O-N 3.44Å; V241-A244 WeakPolarHBondContact O-CA 3.13Å; V241-A244 WeakPolarHBondContact O-CB 3.08Å; V241-A244 PolarHBondContact O-N 3.01Å; L242-A244 PolarHBondContact O-N 3.16Å
245W98.3Very high98.1Very high43 Ų4330.5 Ų30.516%0.16317%0.167CC..  trans-72.5138.8175.4-171.334.7000111.6T206 Q208 L242 G243 G247 E249 I251 I270T206-W245 HydrophobicContact CG2-CH2 4.33Å; T206-W245 WeakPolarHBondContact O-CH2 3.33Å; Q208-W245 HydrophobicContact CG-CH2 4Å; Q208-W245 HydrophobicContact CG-CZ3 3.86Å; L242-W245 WeakPolarHBondContact O-CB 3.4Å; L242-W245 PolarHBondContact O-N 2.94Å; L242-W245 VanDerWaalsContact O-N 3.14Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.79Å; W245-G247 VanDerWaalsContact C-N 3.33Å; W245-G247 VanDerWaalsContact CZ2-C 3.44Å; W245-E249 PolarHBondContact NE1-O 2.99Å; W245-I251 HydrophobicContact CD2-CD1 3.67Å; W245-I251 HydrophobicContact CD2-CG1 4.28Å; W245-I251 HydrophobicContact CE3-CD1 3.94Å; W245-I251 HydrophobicContact CG-CD1 4.1Å; W245-I251 HydrophobicContact CH2-CD1 4.31Å; W245-I251 HydrophobicContact CZ2-CD1 4.05Å; W245-I251 HydrophobicContact CZ2-CG1 4.25Å; W245-I251 HydrophobicContact CZ3-CD1 4.25Å; W245-I270 HydrophobicContact CB-CD1 3.86Å; W245-I270 HydrophobicContact CB-CG2 4.34Å; W245-I270 HydrophobicContact CG-CD1 4.45Å; W245-I270 HydrophobicContact CG-CG2 4.26Å
246D95.5Very high98Very high76 Ų7634.3 Ų34.341%0.40618%0.184SC..  trans-86.5-2.4176.173.9-15.2000113.8Q248 E249D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.37Å; D246-Q248 PolarHBondContact OD1-N 2.81Å; D246-E249 WeakPolarHBondContact OD1-CB 3.44Å; D246-E249 WeakPolarHBondContact OD1-CG 3.49Å; D246-E249 PolarHBondContact OD1-N 3.13Å
247G96Very high98Very high18 Ų1835 Ų3519%0.18619%0.194CC..SBendtrans84.5-0.7-176.600000114.9Q208 W245Q208-G247 PolarHBondContact NE2-O 2.95Å; W245-G247 VanDerWaalsContact C-N 3.33Å; W245-G247 VanDerWaalsContact CZ2-C 3.44Å
248Q96.3Very high97.9Very high170 Ų17036.2 Ų36.279%0.79420%0.2SC*.SBendtrans-129.2-36.1-174.4-61.3-178.346.500113.3D246D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.37Å; D246-Q248 PolarHBondContact OD1-N 2.81Å
249E96Very high97.7Very high27 Ų2738.4 Ų38.413%0.12621%0.21CC..SBendtrans-55.5143.1176-73.1172.511200110.4R14 R163 W245 D246 I251 I270R14-E249 VanDerWaalsContact CD-OE1 3.24Å; R14-E249 WeakPolarHBondContact CD-OE1 3.25Å; R14-E249 IonicContact CZ-OE2 3.96Å; R14-E249 IonicContact NE-OE1 3.23Å; R14-E249 PolarHBondContact NE-OE1 3.47Å; R14-E249 IonicContact NE-OE2 3.15Å; R14-E249 PolarHBondContact NE-OE2 3.15Å; R14-E249 VanDerWaalsContact NE-OE2 3.15Å; R14-E249 IonicContact NH2-OE2 3.89Å; R163-E249 IonicContact CZ-OE1 3.44Å; R163-E249 IonicContact CZ-OE2 3.91Å; R163-E249 IonicContact NH1-OE1 3.22Å; R163-E249 IonicContact NH1-OE2 2.72Å; R163-E249 PolarHBondContact NH1-OE2 3.43Å; R163-E249 VanDerWaalsContact NH2-CD 3.32Å; R163-E249 IonicContact NH2-OE1 3.39Å; R163-E249 PolarHBondContact NH2-OE1 3.12Å; R163-E249 IonicContact NH2-OE2 3.2Å; R163-E249 PolarHBondContact NH2-OE2 3.02Å; W245-E249 PolarHBondContact NE1-O 2.99Å; D246-E249 WeakPolarHBondContact OD1-CB 3.44Å; D246-E249 WeakPolarHBondContact OD1-CG 3.49Å; D246-E249 PolarHBondContact OD1-N 3.13Å; E249-I251 PolarHBondContact O-N 3.26Å; E249-I270 HydrophobicContact CB-CG2 4.06Å
250P97.4Very high97.5Very high82 Ų8240.1 Ų40.153%0.53222%0.218SC..  trans-60.9137.4176.826.6-34.1000110.2G271P250-G271 PolarHBondContact O-N 2.81Å
251I98.5Very high97.4Very high32 Ų3239.9 Ų39.916%0.16422%0.217CC..EExtended strand (participates in β ladder)trans-104.5124.1164.7-54.2-168.2000107.8L205 T206 L242 W245 E249 V268 Q269 I270L205-I251 HydrophobicContact CB-CG2 4.23Å; L205-I251 HydrophobicContact CD1-CG2 4.35Å; L205-I251 VanDerWaalsContact O-CD1 3.27Å; L205-I251 WeakPolarHBondContact O-CD1 3.19Å; T206-I251 HydrophobicContact CG2-CB 4.15Å; T206-I251 HydrophobicContact CG2-CD1 4.07Å; T206-I251 HydrophobicContact CG2-CG1 4.27Å; L242-I251 HydrophobicContact CD2-CD1 4.4Å; W245-I251 HydrophobicContact CD2-CD1 3.67Å; W245-I251 HydrophobicContact CD2-CG1 4.28Å; W245-I251 HydrophobicContact CE3-CD1 3.94Å; W245-I251 HydrophobicContact CG-CD1 4.1Å; W245-I251 HydrophobicContact CH2-CD1 4.31Å; W245-I251 HydrophobicContact CZ2-CD1 4.05Å; W245-I251 HydrophobicContact CZ2-CG1 4.25Å; W245-I251 HydrophobicContact CZ3-CD1 4.25Å; E249-I251 PolarHBondContact O-N 3.26Å; I251-V268 HydrophobicContact CG2-CG1 3.46Å; I251-V268 VanDerWaalsContact CG2-CG1 3.46Å; I251-Q269 CarbonylContact C-O 3.59Å; I251-Q269 WeakPolarHBondContact CA-O 3.21Å; I251-I270 HydrophobicContact CD1-CG1 4.27Å; I251-I270 HydrophobicContact CG1-CG1 4.09Å
252T98.4Very high97.3Very high62 Ų6239.8 Ų39.838%0.3822%0.217SC..EExtended strand (participates in β ladder)trans-124.8162.5179.365.30000111.1P254 V268 Q269T252-P254 WeakPolarHBondContact O-CD 3.25Å; T252-V268 WeakPolarHBondContact O-CA 2.95Å; T252-Q269 PolarHBondContact N-O 3.29Å; T252-Q269 PolarHBondContact O-N 2.82Å
253I98.7Very high97.2Very high64 Ų6439.8 Ų39.833%0.32822%0.217SC..  trans-114.595.5176.6-64.4168.8000106.9K202 L205 V255 E256 L266 S267K202-I253 HydrophobicContact CB-CD1 4.4Å; K202-I253 HydrophobicContact CD-CD1 4.29Å; K202-I253 HydrophobicContact CG-CD1 3.87Å; L205-I253 HydrophobicContact CD1-CD1 4.22Å; L205-I253 HydrophobicContact CD1-CG1 4.21Å; I253-V255 VanDerWaalsContact C-N 3.29Å; I253-V255 WeakPolarHBondContact CG2-O 3.43Å; I253-V255 PolarHBondContact O-N 2.91Å; I253-E256 HydrophobicContact CG2-CB 3.87Å; I253-E256 HydrophobicContact CG2-CG 4.21Å; I253-L266 HydrophobicContact CD1-CD1 4.06Å; I253-L266 HydrophobicContact CG1-CD1 4.14Å; I253-L266 HydrophobicContact CG2-CD1 3.69Å; I253-S267 WeakPolarHBondContact CA-O 3.49Å
254P98.2Very high97.2Very high39 Ų3939.7 Ų39.725%0.25322%0.215SC..SBendtrans-63-36.7-178.5-2636.2000113S37 L41 T252 S267 Q269S37-P254 PolarHBondContact OG-O 2.57Å; L41-P254 HydrophobicContact CD1-CB 4.1Å; L41-P254 HydrophobicContact CD1-CG 4.2Å; L41-P254 HydrophobicContact CD2-CB 4.02Å; L41-P254 HydrophobicContact CD2-CG 3.94Å; L41-P254 HydrophobicContact CG-CB 4.32Å; T252-P254 WeakPolarHBondContact O-CD 3.25Å; P254-S267 VanDerWaalsContact CD-O 3.29Å; P254-S267 WeakPolarHBondContact CD-O 3.45Å; P254-Q269 HydrophobicContact CG-CB 3.8Å
255V98.5Very high97.2Very high10 Ų1039.7 Ų39.76%0.06122%0.216CC..  trans-153.2151.3174.6690000110.1L33 Y34 I253 S267L33-V255 HydrophobicContact CD2-CG2 4.27Å; L33-V255 HydrophobicContact CG-CG2 4.04Å; Y34-V255 HydrophobicContact CD1-CB 4.47Å; Y34-V255 HydrophobicContact CD1-CG1 4.17Å; Y34-V255 HydrophobicContact CD1-CG2 3.49Å; Y34-V255 VanDerWaalsContact CD1-CG2 3.49Å; Y34-V255 HydrophobicContact CE1-CG2 3.99Å; Y34-V255 HydrophobicContact CG-CG2 4.49Å; I253-V255 VanDerWaalsContact C-N 3.29Å; I253-V255 WeakPolarHBondContact CG2-O 3.43Å; I253-V255 PolarHBondContact O-N 2.91Å; V255-S267 WeakPolarHBondContact CG1-OG 3.39Å; V255-S267 PolarHBondContact O-N 2.86Å
256E97.8Very high97.2Very high79 Ų7937.7 Ų37.737%0.36921%0.208SC..  trans-147.7164.9172.762.8175.2174.700111K202 I253 L266K202-E256 WeakPolarHBondContact CD-OE2 3.25Å; K202-E256 WeakPolarHBondContact CE-OE2 3.41Å; K202-E256 IonicContact NZ-OE1 3.39Å; K202-E256 PolarHBondContact NZ-OE1 3.33Å; K202-E256 IonicContact NZ-OE2 2.74Å; K202-E256 PolarHBondContact NZ-OE2 3.38Å; I253-E256 HydrophobicContact CG2-CB 3.87Å; I253-E256 HydrophobicContact CG2-CG 4.21Å; E256-L266 HydrophobicContact CB-CD1 3.94Å
257G97.4Very high97.4Very high22 Ų2234 Ų3423%0.22719%0.188CC..  trans160.5168.4179.900000109.5M265G257-M265 PolarHBondContact O-N 2.97Å
258I97.8Very high97.5Very high25 Ų2533.2 Ų33.213%0.12818%0.18CC..EExtended strand (participates in β ladder)trans-128.2120.4169-66.8166.9000107P190 A194 N198 L263P190-I258 HydrophobicContact CB-CB 3.92Å; P190-I258 HydrophobicContact CB-CD1 3.96Å; P190-I258 HydrophobicContact CB-CG2 3.84Å; P190-I258 HydrophobicContact CG-CB 3.7Å; P190-I258 HydrophobicContact CG-CD1 4.43Å; P190-I258 HydrophobicContact CG-CG2 4Å; A194-I258 HydrophobicContact CB-CD1 4.08Å; N198-I258 HydrophobicContact CB-CD1 4.03Å; I258-L263 CarbonylContact C-O 3.43Å; I258-L263 VanDerWaalsContact CA-O 3.31Å; I258-L263 WeakPolarHBondContact CA-O 3.48Å
259E95.1Very high97.6Very high45 Ų4526.3 Ų26.321%0.2115%0.148CC..EExtended strand (participates in β ladder)trans-94155175.6-64.4-164.9131.400111.2Y34 G261 S262 L263 M265Y34-E259 HydrophobicContact CE2-CG 3.78Å; Y34-E259 WeakPolarHBondContact CE2-OE1 3.29Å; E259-G261 PolarHBondContact O-N 3.24Å; E259-S262 PolarHBondContact O-N 2.86Å; E259-S262 VanDerWaalsContact O-N 3.16Å; E259-L263 HydrophobicContact CB-CB 4.41Å; E259-L263 PolarHBondContact N-O 3.21Å; E259-L263 WeakPolarHBondContact O-CB 3.13Å; E259-L263 PolarHBondContact O-N 3.26Å; E259-M265 HydrophobicContact CG-CG 3.77Å; E259-M265 HydrophobicContact CG-SD 4.48Å
260M94.2Very high97.7Very high36 Ų3625 Ų2518%0.17714%0.142CC..THydrogen-bonded Turntrans4933.9172.8-58.2-179.3-77.900113.2V182 K183 W184 S262 L263V182-M260 CarbonylContact C-O 3.54Å; V182-M260 VanDerWaalsContact CA-O 3.28Å; V182-M260 WeakPolarHBondContact CA-O 3.4Å; V182-M260 HydrophobicContact CB-CB 4.03Å; V182-M260 HydrophobicContact CG1-CB 4.18Å; K183-M260 PolarHBondContact N-O 3.46Å; W184-M260 HydrophobicContact CE3-SD 4.05Å; W184-M260 HydrophobicContact CZ3-SD 3.9Å; M260-S262 PolarHBondContact O-N 3.11Å; M260-L263 HydrophobicContact CE-CB 4.44Å; M260-L263 HydrophobicContact CE-CD2 3.37Å
261G96.1Very high97.7Very high0 Ų023 Ų230%014%0.136CC..THydrogen-bonded Turntrans75.6-33.3-177.900000116.4S188 S189 P190 Y191 E259S188-G261 PolarHBondContact O-N 2.87Å; S188-G261 VanDerWaalsContact O-N 3.09Å; S189-G261 WeakPolarHBondContact O-CA 3.43Å; P190-G261 WeakPolarHBondContact CA-O 3.29Å; Y191-G261 VanDerWaalsContact CD2-O 3.25Å; Y191-G261 WeakPolarHBondContact CD2-O 3.28Å; Y191-G261 PolarHBondContact N-O 3.21Å; E259-G261 PolarHBondContact O-N 3.24Å
262S97Very high97.6Very high0 Ų022.6 Ų22.60%013%0.134CC..THydrogen-bonded Turntrans-147.530.8-168.457.90000115.2V176 N178 T181 V182 W193 E259 M260V176-S262 WeakPolarHBondContact CG1-O 3.23Å; N178-S262 PolarHBondContact N-O 3.42Å; N178-S262 PolarHBondContact O-OG 3.16Å; T181-S262 VanDerWaalsContact OG1-CB 3.25Å; T181-S262 WeakPolarHBondContact OG1-CB 3.32Å; T181-S262 PolarHBondContact OG1-OG 3.47Å; V182-S262 WeakPolarHBondContact CA-OG 3.34Å; V182-S262 WeakPolarHBondContact CG1-OG 3.35Å; V182-S262 PolarHBondContact N-OG 3.42Å; W193-S262 VanDerWaalsContact CH2-CB 3.45Å; E259-S262 PolarHBondContact O-N 2.86Å; E259-S262 VanDerWaalsContact O-N 3.16Å; M260-S262 PolarHBondContact O-N 3.11Å
263L97.1Very high97.6Very high3 Ų320.5 Ų20.52%0.01612%0.121CC..EExtended strand (participates in β ladder)trans-124.9100.7173.3-170.662.3000110N174 V176 H177 I258 E259 M260N174-L263 HydrophobicContact CB-CD1 4.08Å; N174-L263 VanDerWaalsContact CG-CD1 3.49Å; N174-L263 WeakPolarHBondContact ND2-CD1 3.3Å; V176-L263 WeakPolarHBondContact O-CA 3.37Å; H177-L263 VanDerWaalsContact CD2-CD1 3.49Å; H177-L263 WeakPolarHBondContact CD2-CD1 3.39Å; I258-L263 CarbonylContact C-O 3.43Å; I258-L263 VanDerWaalsContact CA-O 3.31Å; I258-L263 WeakPolarHBondContact CA-O 3.48Å; E259-L263 HydrophobicContact CB-CB 4.41Å; E259-L263 PolarHBondContact N-O 3.21Å; E259-L263 WeakPolarHBondContact O-CB 3.13Å; E259-L263 PolarHBondContact O-N 3.26Å; M260-L263 HydrophobicContact CE-CB 4.44Å; M260-L263 HydrophobicContact CE-CD2 3.37Å
264S98.5Very high97.5Very high0 Ų018.1 Ų18.10%011%0.11CC..EExtended strand (participates in β ladder)trans-75131.2-180173.40000111.2N174 V175 V176 N198 L266N174-S264 WeakPolarHBondContact CB-O 3.36Å; N174-S264 PolarHBondContact ND2-O 3.33Å; V175-S264 VanDerWaalsContact CG2-OG 3.28Å; V175-S264 WeakPolarHBondContact CG2-OG 3.38Å; V176-S264 PolarHBondContact O-N 2.92Å; N198-S264 WeakPolarHBondContact OD1-CB 3.36Å; N198-S264 PolarHBondContact OD1-OG 3.32Å; S264-L266 VanDerWaalsContact OG-CB 3.3Å; S264-L266 WeakPolarHBondContact OG-CB 3.45Å; S264-L266 PolarHBondContact OG-N 3.2Å; S264-L266 VanDerWaalsContact OG-N 3.1Å
265M98.4Very high97.5Very high1 Ų116.9 Ų16.91%0.00510%0.102CC..  trans-99.613.7173.6-58.7-55.5-71.100112.3G21 G23 N27 Y34 W38 G257 E259 S267G21-M265 WeakPolarHBondContact O-CE 3.28Å; G23-M265 WeakPolarHBondContact CA-SD 3.25Å; N27-M265 WeakPolarHBondContact ND2-CE 3.4Å; Y34-M265 HydrophobicContact CD1-CB 3.44Å; Y34-M265 VanDerWaalsContact CD1-CB 3.44Å; Y34-M265 HydrophobicContact CD1-CE 4.23Å; Y34-M265 HydrophobicContact CD1-CG 3.94Å; Y34-M265 HydrophobicContact CD2-CE 3.96Å; Y34-M265 HydrophobicContact CD2-CG 4.16Å; Y34-M265 HydrophobicContact CE1-CB 3.26Å; Y34-M265 HydrophobicContact CE1-CG 3.67Å; Y34-M265 HydrophobicContact CE2-CB 4.42Å; Y34-M265 HydrophobicContact CE2-CG 3.91Å; Y34-M265 HydrophobicContact CG-CB 4.12Å; Y34-M265 HydrophobicContact CG-CE 3.75Å; Y34-M265 HydrophobicContact CG-CG 4.17Å; W38-M265 HydrophobicContact CH2-CE 4.31Å; W38-M265 HydrophobicContact CZ2-CE 3.95Å; G257-M265 PolarHBondContact O-N 2.97Å; E259-M265 HydrophobicContact CG-CG 3.77Å; E259-M265 HydrophobicContact CG-SD 4.48Å; M265-S267 PolarHBondContact O-N 3.45Å; M265-S267 VanDerWaalsContact O-N 3.11Å; M265-S267 PolarHBondContact O-OG 2.99Å
266L98.8Very high97.4Very high0 Ų017.3 Ų17.30%010%0.104CC..  trans-52.7119.9175.3179.265.3000109.6F19 G21 V175 V201 K202 I253 E256 S264 V268F19-L266 VanDerWaalsContact CE1-O 3.28Å; F19-L266 WeakPolarHBondContact CE1-O 3.23Å; G21-L266 PolarHBondContact N-O 3.45Å; V175-L266 HydrophobicContact CG1-CD2 4.41Å; V175-L266 HydrophobicContact CG2-CB 4.05Å; V175-L266 HydrophobicContact CG2-CD2 3.96Å; V201-L266 HydrophobicContact CB-CD2 4.31Å; V201-L266 HydrophobicContact CG1-CD2 3.85Å; K202-L266 HydrophobicContact CD-CD1 4.14Å; K202-L266 HydrophobicContact CG-CD1 3.82Å; K202-L266 HydrophobicContact CG-CD2 3.84Å; I253-L266 HydrophobicContact CD1-CD1 4.06Å; I253-L266 HydrophobicContact CG1-CD1 4.14Å; I253-L266 HydrophobicContact CG2-CD1 3.69Å; E256-L266 HydrophobicContact CB-CD1 3.94Å; S264-L266 VanDerWaalsContact OG-CB 3.3Å; S264-L266 WeakPolarHBondContact OG-CB 3.45Å; S264-L266 PolarHBondContact OG-N 3.2Å; S264-L266 VanDerWaalsContact OG-N 3.1Å; L266-V268 HydrophobicContact CG-CG2 4.37Å
267S98.8Very high97.4Very high0 Ų013.2 Ų13.20%09%0.086CC..  trans-115.3142.8173.5-57.60000109F19 G21 I253 P254 V255 M265F19-S267 CarbonylContact O-C 3.29Å; F19-S267 WeakPolarHBondContact O-CA 3.34Å; F19-S267 WeakPolarHBondContact O-CB 3.48Å; G21-S267 PolarHBondContact N-OG 3.22Å; I253-S267 WeakPolarHBondContact CA-O 3.49Å; P254-S267 VanDerWaalsContact CD-O 3.29Å; P254-S267 WeakPolarHBondContact CD-O 3.45Å; V255-S267 WeakPolarHBondContact CG1-OG 3.39Å; V255-S267 PolarHBondContact O-N 2.86Å; M265-S267 PolarHBondContact O-N 3.45Å; M265-S267 VanDerWaalsContact O-N 3.11Å; M265-S267 PolarHBondContact O-OG 2.99Å
268V98.9Very high97.4Very high0 Ų012.6 Ų12.60%08%0.076CC..EExtended strand (participates in β ladder)trans-127135.5-176.6-1770000108.6L18 F19 L205 L238 I251 T252 L266L18-V268 CarbonylContact C-O 3.57Å; L18-V268 WeakPolarHBondContact CA-O 3.45Å; F19-V268 HydrophobicContact CB-CB 4.24Å; F19-V268 HydrophobicContact CD1-CG2 4.42Å; F19-V268 PolarHBondContact N-O 3.1Å; F19-V268 PolarHBondContact O-N 2.8Å; L205-V268 HydrophobicContact CD1-CG1 4.23Å; L205-V268 HydrophobicContact CD1-CG2 3.86Å; L205-V268 HydrophobicContact CD2-CG1 4.28Å; L205-V268 HydrophobicContact CD2-CG2 3.84Å; L238-V268 HydrophobicContact CD1-CB 4.44Å; L238-V268 HydrophobicContact CD1-CG2 4.11Å; I251-V268 HydrophobicContact CG2-CG1 3.46Å; I251-V268 VanDerWaalsContact CG2-CG1 3.46Å; T252-V268 WeakPolarHBondContact O-CA 2.95Å; L266-V268 HydrophobicContact CG-CG2 4.37Å
269Q98.7Very high97.4Very high26 Ų2611.6 Ų11.612%0.1217%0.072CC..EExtended strand (participates in β ladder)trans-120.8131.3172.5167.7-177.2-24.800109.2L18 I251 T252 P254 G271L18-Q269 HydrophobicContact CD2-CB 3.64Å; L18-Q269 HydrophobicContact CD2-CG 3.64Å; I251-Q269 CarbonylContact C-O 3.59Å; I251-Q269 WeakPolarHBondContact CA-O 3.21Å; T252-Q269 PolarHBondContact N-O 3.29Å; T252-Q269 PolarHBondContact O-N 2.82Å; P254-Q269 HydrophobicContact CG-CB 3.8Å; Q269-G271 WeakPolarHBondContact CG-OXT 3.47Å; Q269-G271 PolarHBondContact NE2-OXT 3.11Å
270I98.5Very high97.5Very high0 Ų08.8 Ų8.80%06%0.061CC..EExtended strand (participates in β ladder)trans-106.6132.2167.1-62.7163.2000108.6P16 A17 V241 W245 E249 I251P16-I270 CarbonylContact C-O 3.57Å; P16-I270 WeakPolarHBondContact CA-O 3.49Å; P16-I270 WeakPolarHBondContact CB-O 3.38Å; A17-I270 HydrophobicContact CB-CB 4.35Å; A17-I270 PolarHBondContact N-O 3.12Å; A17-I270 PolarHBondContact O-N 2.92Å; V241-I270 HydrophobicContact CG1-CD1 3.55Å; V241-I270 HydrophobicContact CG1-CG1 4.22Å; V241-I270 WeakPolarHBondContact O-CD1 3.4Å; W245-I270 HydrophobicContact CB-CD1 3.86Å; W245-I270 HydrophobicContact CB-CG2 4.34Å; W245-I270 HydrophobicContact CG-CD1 4.45Å; W245-I270 HydrophobicContact CG-CG2 4.26Å; E249-I270 HydrophobicContact CB-CG2 4.06Å; I251-I270 HydrophobicContact CD1-CG1 4.27Å; I251-I270 HydrophobicContact CG1-CG1 4.09Å
271G95.7Very high97.8Very high40 Ų406.4 Ų6.441%0.4125%0.05SC..  trans71.30-175.500000112.2P250 Q269P250-G271 PolarHBondContact O-N 2.81Å; Q269-G271 WeakPolarHBondContact CG-OXT 3.47Å; Q269-G271 PolarHBondContact NE2-OXT 3.11Å

Retrieved 271 of 271 residues in 306.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).