A0A087X6D8_POEFO Loading...

RecA family profile 1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X6D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 301 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E35.4Very low55Low250 Ų250136.9 Ų136.9100%1.16873%0.733SS**  093.40-73169.7134.500107.9G3E1-G3 PolarHBondContact O-N 2.93Å
2E38.2Very low56.9Low198 Ų198133.3 Ų133.393%0.92572%0.72SS**  trans-83.1109.7173.4-79.6176.4156.900107.7R4E2-R4 PolarHBondContact O-N 3.47Å
3G38.5Very low58.5Low68 Ų68126.4 Ų126.470%0.70168%0.68SS**  trans-59.3109.7175.900000109.9E1 T5E1-G3 PolarHBondContact O-N 2.93Å; G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.35Å
4R40.3Very low60Low229 Ų229123.1 Ų123.186%0.86466%0.661SS**  trans-65.396.3166.3-164.8178.1-169.4177.41.1106.6E2 E6E2-R4 PolarHBondContact O-N 3.47Å; R4-E6 VanDerWaalsContact C-N 3.3Å; R4-E6 PolarHBondContact O-N 3.06Å
5T42.9Very low61.2Low127 Ų127124.9 Ų124.978%0.77966%0.661SS**  trans-64.495.4172.8-31.60000107.2G3 M7G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.35Å; T5-M7 VanDerWaalsContact C-N 3.28Å; T5-M7 PolarHBondContact O-N 3.17Å
6E45.5Very low62.2Low172 Ų172117.4 Ų117.480%0.80462%0.623SS**  trans-6496.7165.6-75.3-169.6161.400106.8R4 S8R4-E6 VanDerWaalsContact C-N 3.3Å; R4-E6 PolarHBondContact O-N 3.06Å; E6-S8 PolarHBondContact O-N 3.2Å
7M55.5Low63Low172 Ų172116.5 Ų116.585%0.84761%0.609SS**  trans-70.7103.5174.3-157.4176-75.300106.5T5 E9T5-M7 VanDerWaalsContact C-N 3.28Å; T5-M7 PolarHBondContact O-N 3.17Å; M7-E9 PolarHBondContact O-N 2.83Å
8S69.9Low63.8Low107 Ų107117.2 Ų117.275%0.74861%0.613SS**PPolyproline II helixtrans-64.4122.6177.659.40000109.5E6 S10E6-S8 PolarHBondContact O-N 3.2Å; S8-S10 PolarHBondContact O-N 3.35Å
9E78.6Confident64.5Low90 Ų90117.2 Ų117.242%0.42161%0.609SS.*PPolyproline II helixtrans-58132.9176.2-175.8174.4-142.500110.6M7 Q13 R17M7-E9 PolarHBondContact O-N 2.83Å; E9-Q13 HydrophobicContact CG-CB 3.78Å; E9-R17 VanDerWaalsContact OE1-CD 3.22Å; E9-R17 WeakPolarHBondContact OE1-CD 3.16Å; E9-R17 IonicContact OE1-CZ 3.58Å; E9-R17 IonicContact OE1-NE 3.43Å; E9-R17 IonicContact OE1-NH1 2.79Å; E9-R17 PolarHBondContact OE1-NH1 3.22Å; E9-R17 IonicContact OE2-NH1 3.84Å
10S82.1Confident65.1Low46 Ų46115.2 Ų115.232%0.32261%0.61SS.*PPolyproline II helixtrans-78.8153.3174.674.30000111S8 T12 Q13 L14S8-S10 PolarHBondContact O-N 3.35Å; S10-T12 PolarHBondContact O-N 3.18Å; S10-T12 PolarHBondContact OG-OG1 3.03Å; S10-Q13 WeakPolarHBondContact O-CB 3.37Å; S10-Q13 PolarHBondContact O-N 3.47Å; S10-Q13 VanDerWaalsContact OG-CG 3.28Å; S10-Q13 WeakPolarHBondContact OG-CG 3.33Å; S10-Q13 PolarHBondContact OG-N 2.79Å; S10-L14 PolarHBondContact O-N 3.33Å
11G78.1Confident66.3Low47 Ų47110.2 Ų110.249%0.48558%0.583SS.*Hα-helixtrans-56.3-35.4175.200000112.9L14 F15G11-L14 PolarHBondContact O-N 3.18Å; G11-F15 WeakPolarHBondContact O-CD2 3.4Å; G11-F15 PolarHBondContact O-N 2.99Å
12T77.5Confident68.9Low94 Ų94102.6 Ų102.658%0.57754%0.544SS*.Hα-helixtrans-65-39.7174.946.20000113S10 A16S10-T12 PolarHBondContact O-N 3.18Å; S10-T12 PolarHBondContact OG-OG1 3.03Å; T12-A16 WeakPolarHBondContact O-CB 3.3Å; T12-A16 PolarHBondContact O-N 3.03Å
13Q78.2Confident71.4Confident43 Ų4395.1 Ų95.120%0.20151%0.513CS..Hα-helixtrans-62.8-46.4173.7-75.7167.9-18.100110.4E9 S10 F15 A16 R17 S143E9-Q13 HydrophobicContact CG-CB 3.78Å; S10-Q13 WeakPolarHBondContact O-CB 3.37Å; S10-Q13 PolarHBondContact O-N 3.47Å; S10-Q13 VanDerWaalsContact OG-CG 3.28Å; S10-Q13 WeakPolarHBondContact OG-CG 3.33Å; S10-Q13 PolarHBondContact OG-N 2.79Å; Q13-F15 PolarHBondContact O-N 3.44Å; Q13-A16 PolarHBondContact O-N 2.8Å; Q13-R17 VanDerWaalsContact O-CG 3.29Å; Q13-R17 WeakPolarHBondContact O-CG 3.28Å; Q13-R17 PolarHBondContact O-N 3.15Å; Q13-R17 VanDerWaalsContact O-N 3.15Å; Q13-S143 WeakPolarHBondContact CG-OG 3.33Å
14L79.8Confident73.9Confident80 Ų8092 Ų9242%0.41948%0.48SS..Hα-helixtrans-59.6-48.2177.6-178.964.1000111.8S10 G11 A16 R17 L18S10-L14 PolarHBondContact O-N 3.33Å; G11-L14 PolarHBondContact O-N 3.18Å; L14-A16 PolarHBondContact O-N 3.4Å; L14-R17 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD1-CD1 4.08Å; L14-L18 HydrophobicContact CD1-CG 4.31Å; L14-L18 HydrophobicContact CG-CD1 3.97Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 2.73Å
15F77.3Confident76.3Confident150 Ų15084.1 Ų84.166%0.65845%0.452SS*.Hα-helixtrans-60.3-43.9177.6-86.1-68.5000112.1G11 Q13 R17 L18 E19G11-F15 WeakPolarHBondContact O-CD2 3.4Å; G11-F15 PolarHBondContact O-N 2.99Å; Q13-F15 PolarHBondContact O-N 3.44Å; F15-R17 PolarHBondContact O-N 2.76Å; F15-L18 PolarHBondContact O-N 2.71Å; F15-L18 VanDerWaalsContact O-N 3.17Å; F15-E19 WeakPolarHBondContact O-CB 3.34Å; F15-E19 PolarHBondContact O-N 2.64Å
16A77.3Confident78.4Confident6 Ų683.3 Ų83.35%0.0544%0.443CS..Hα-helixtrans-65.4-21.7179.500000114T12 Q13 L14 Y192T12-A16 WeakPolarHBondContact O-CB 3.3Å; T12-A16 PolarHBondContact O-N 3.03Å; Q13-A16 PolarHBondContact O-N 2.8Å; L14-A16 PolarHBondContact O-N 3.4Å; A16-Y192 HydrophobicContact CB-CE1 4.44Å
17R75.9Confident80.6Confident102 Ų10275.1 Ų75.139%0.38541%0.405SS..Hα-helixtrans-85.9-32.1174.4-64.8173.378.6-176.37.5112.5E9 Q13 L14 F15 D191 Y192E9-R17 VanDerWaalsContact OE1-CD 3.22Å; E9-R17 WeakPolarHBondContact OE1-CD 3.16Å; E9-R17 IonicContact OE1-CZ 3.58Å; E9-R17 IonicContact OE1-NE 3.43Å; E9-R17 IonicContact OE1-NH1 2.79Å; E9-R17 PolarHBondContact OE1-NH1 3.22Å; E9-R17 IonicContact OE2-NH1 3.84Å; Q13-R17 VanDerWaalsContact O-CG 3.29Å; Q13-R17 WeakPolarHBondContact O-CG 3.28Å; Q13-R17 PolarHBondContact O-N 3.15Å; Q13-R17 VanDerWaalsContact O-N 3.15Å; L14-R17 PolarHBondContact O-N 3.29Å; F15-R17 PolarHBondContact O-N 2.76Å; R17-D191 WeakPolarHBondContact CG-O 3.22Å; R17-D191 IonicContact CZ-OD1 3.93Å; R17-D191 IonicContact NE-OD1 2.8Å; R17-D191 IonicContact NH2-OD1 3.77Å; R17-D191 PolarHBondContact NH2-OD1 3.2Å; R17-Y192 HydrophobicContact CG-CE1 4.38Å
18L77Confident82.3Confident129 Ų12967 Ų6768%0.67537%0.365SS*.Hα-helixtrans-82.1-33.1178.6-67.5176.3000112.5L14 F15 A20L14-L18 HydrophobicContact CD1-CD1 4.08Å; L14-L18 HydrophobicContact CD1-CG 4.31Å; L14-L18 HydrophobicContact CG-CD1 3.97Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 2.73Å; F15-L18 PolarHBondContact O-N 2.71Å; F15-L18 VanDerWaalsContact O-N 3.17Å; L18-A20 PolarHBondContact O-N 3.16Å
19E77.3Confident83.2Confident116 Ų11665.2 Ų65.254%0.54235%0.351SS..SBendtrans-71.1120.3178.5-167.8175.2-166.500110.2F15 R21 P146F15-E19 WeakPolarHBondContact O-CB 3.34Å; F15-E19 PolarHBondContact O-N 2.64Å; E19-R21 PolarHBondContact O-N 2.6Å; E19-R21 VanDerWaalsContact O-N 3.16Å; E19-P146 VanDerWaalsContact OE2-CB 3.3Å; E19-P146 WeakPolarHBondContact OE2-CB 3.36Å
20A77.6Confident83.8Confident77 Ų7765.5 Ų65.564%0.63635%0.348SS*.  trans-68.8116.1175.900000109.2L18L18-A20 PolarHBondContact O-N 3.16Å
21R89.8Confident84.2Confident12 Ų1263.3 Ų63.35%0.04533%0.333CS..  trans-58.3-176170.9-60.8-164.8-179.8-97.6-19.1112.2E19 R40 L142 R145 P146 A148 A149 Y192E19-R21 PolarHBondContact O-N 2.6Å; E19-R21 VanDerWaalsContact O-N 3.16Å; R21-R40 PolarHBondContact O-NH1 2.78Å; R21-R40 PolarHBondContact O-NH2 2.63Å; R21-L142 PolarHBondContact NH2-O 2.84Å; R21-R145 PolarHBondContact NH1-O 3.3Å; R21-P146 PolarHBondContact NH1-O 2.91Å; R21-A148 VanDerWaalsContact CD-O 3.26Å; R21-A148 WeakPolarHBondContact CD-O 3.44Å; R21-A148 PolarHBondContact NH1-O 2.87Å; R21-A149 HydrophobicContact CB-CB 4.49Å; R21-Y192 WeakPolarHBondContact CD-O 3.45Å; R21-Y192 PolarHBondContact NE-O 2.87Å
22R89.6Confident84.8Confident90 Ų9061.2 Ų61.234%0.3431%0.31SS..  trans-78.1141.5168.2-167.5164.4-175.7144.83.5110.6E69 L74 V76 A149R22-E69 IonicContact CZ-OE1 3.84Å; R22-E69 IonicContact NH1-OE1 3.73Å; R22-E69 PolarHBondContact NH1-OE1 3.17Å; R22-E69 IonicContact NH2-OE1 3.69Å; R22-E69 PolarHBondContact NH2-OE1 3.27Å; R22-L74 WeakPolarHBondContact CD-O 3.49Å; R22-L74 PolarHBondContact NE-O 3.31Å; R22-L74 PolarHBondContact NH1-O 3.44Å; R22-V76 HydrophobicContact CB-CG1 3.54Å; R22-V76 VanDerWaalsContact CD-CG1 3.45Å; R22-V76 HydrophobicContact CG-CG1 4.05Å; R22-A149 HydrophobicContact CB-CB 4.43Å
23C90.1Very high85.1Confident41 Ų4158 Ų5828%0.27729%0.294SS..  trans-79.6138.2171.1-176.80000109.5D39 R40C23-D39 PolarHBondContact SG-OD1 2.71Å; C23-R40 HydrophobicContact CB-CG 4.48Å
24L92.1Very high84.9Confident1 Ų160.7 Ų60.71%0.00531%0.309CS..  trans-106.819-178.8-58.6-171.3000112.8D26 V27 P38 L74 V76 A149 L150L24-D26 PolarHBondContact O-N 2.87Å; L24-V27 HydrophobicContact CB-CB 4.15Å; L24-V27 WeakPolarHBondContact O-CB 3.48Å; L24-V27 VanDerWaalsContact O-CG1 3.22Å; L24-V27 WeakPolarHBondContact O-CG1 3.49Å; L24-V27 PolarHBondContact O-N 2.78Å; L24-P38 CarbonylContact C-O 3.45Å; L24-L74 HydrophobicContact CD2-CD1 3.65Å; L24-V76 HydrophobicContact CD2-CG2 4.47Å; L24-A149 HydrophobicContact CD2-CB 4.43Å; L24-L150 HydrophobicContact CD1-CB 3.79Å; L24-L150 HydrophobicContact CD1-CD1 3.94Å; L24-L150 HydrophobicContact CD1-CG 4.31Å
25K89.6Confident84.5Confident64 Ų6462.2 Ų62.228%0.27832%0.318SS..THydrogen-bonded Turntrans-54-39.5179.2-168.5-178.8-171.1-162.20112D35 G37 P38K25-D35 VanDerWaalsContact CE-C 3.48Å; K25-D35 WeakPolarHBondContact CE-O 2.93Å; K25-D35 PolarHBondContact NZ-O 3.24Å; K25-D35 IonicContact NZ-OD1 2.73Å; K25-D35 PolarHBondContact NZ-OD1 3.23Å; K25-G37 WeakPolarHBondContact O-CA 3.41Å; K25-P38 WeakPolarHBondContact CA-O 3.37Å; K25-P38 PolarHBondContact N-O 3.36Å; K25-P38 VanDerWaalsContact N-O 3.15Å
26D86.9Confident84.5Confident110 Ų11055.3 Ų55.359%0.58829%0.289SS*.THydrogen-bonded Turntrans-97.420.3-179.4-54-50.6000113.1L24 E28L24-D26 PolarHBondContact O-N 2.87Å; D26-E28 PolarHBondContact O-N 3.06Å
27V91.8Very high85Confident0 Ų055.4 Ų55.40%029%0.291CS..SBendtrans-59-34.2-176.669.90000112L24 F32 L61 R64 L74 F197L24-V27 HydrophobicContact CB-CB 4.15Å; L24-V27 WeakPolarHBondContact O-CB 3.48Å; L24-V27 VanDerWaalsContact O-CG1 3.22Å; L24-V27 WeakPolarHBondContact O-CG1 3.49Å; L24-V27 PolarHBondContact O-N 2.78Å; V27-F32 HydrophobicContact CG1-CE2 4.05Å; V27-L61 HydrophobicContact CG1-CD2 3.99Å; V27-L61 HydrophobicContact CG2-CD2 3.86Å; V27-R64 WeakPolarHBondContact O-CD 3.17Å; V27-R64 PolarHBondContact O-NE 2.91Å; V27-R64 PolarHBondContact O-NH2 3.19Å; V27-L74 HydrophobicContact CB-CD1 4.38Å; V27-L74 HydrophobicContact CG2-CD1 4.15Å; V27-F197 HydrophobicContact CG1-CZ 4.08Å
28E92.4Very high85.8Confident3 Ų350.6 Ų50.61%0.01427%0.272CS..  trans-157.697167.4177.351.1-10400109.8D26 R30 L31 F32 H60 L61 R64 F287D26-E28 PolarHBondContact O-N 3.06Å; E28-R30 HydrophobicContact CG-CB 4.44Å; E28-R30 PolarHBondContact O-N 2.97Å; E28-R30 VanDerWaalsContact OE1-CB 3.23Å; E28-R30 WeakPolarHBondContact OE1-CB 3.4Å; E28-R30 WeakPolarHBondContact OE1-CG 3.33Å; E28-R30 IonicContact OE1-CZ 3.29Å; E28-R30 PolarHBondContact OE1-N 2.79Å; E28-R30 IonicContact OE1-NE 2.69Å; E28-R30 PolarHBondContact OE1-NE 3.39Å; E28-R30 IonicContact OE1-NH2 3.51Å; E28-R30 PolarHBondContact OE1-NH2 3.1Å; E28-R30 IonicContact OE2-CZ 2.95Å; E28-R30 IonicContact OE2-NE 3.78Å; E28-R30 IonicContact OE2-NH2 2.77Å; E28-R30 PolarHBondContact OE2-NH2 3.07Å; E28-L31 HydrophobicContact CB-CB 4.39Å; E28-L31 HydrophobicContact CB-CD1 3.88Å; E28-L31 HydrophobicContact CB-CG 4.14Å; E28-L31 HydrophobicContact CG-CB 4.19Å; E28-L31 HydrophobicContact CG-CD1 3.82Å; E28-L31 HydrophobicContact CG-CG 3.66Å; E28-L31 PolarHBondContact O-N 3.28Å; E28-F32 WeakPolarHBondContact O-CD2 3.41Å; E28-H60 IonicContact OE2-CD2 3.5Å; E28-H60 IonicContact OE2-CE1 2.92Å; E28-H60 PolarHBondContact OE2-CE1 3Å; E28-H60 IonicContact OE2-NE2 3.7Å; E28-H60 PolarHBondContact OE2-NE2 3.45Å; E28-L61 HydrophobicContact CB-CD2 4.14Å; E28-R64 IonicContact OE2-CZ 3.15Å; E28-R64 IonicContact OE2-NE 2.77Å; E28-F287 HydrophobicContact CG-CE2 3.76Å; E28-F287 HydrophobicContact CG-CZ 3.88Å
29P88.3Confident86.4Confident69 Ų6948 Ų4845%0.44826%0.259SS..THydrogen-bonded Turntrans-60.8-19.8-177.3-25.335.2000113.7L31 R274P29-L31 VanDerWaalsContact C-N 3.34Å; P29-R274 PolarHBondContact O-NH1 3.07Å
30R91.1Very high87Confident95 Ų9545.6 Ų45.636%0.35825%0.245SC..THydrogen-bonded Turntrans-78.4-17.7176.3-62.6171.6-69.1-172-2.7112.6E28 R274 S276 F287E28-R30 HydrophobicContact CG-CB 4.44Å; E28-R30 PolarHBondContact O-N 2.97Å; E28-R30 VanDerWaalsContact OE1-CB 3.23Å; E28-R30 WeakPolarHBondContact OE1-CB 3.4Å; E28-R30 WeakPolarHBondContact OE1-CG 3.33Å; E28-R30 IonicContact OE1-CZ 3.29Å; E28-R30 PolarHBondContact OE1-N 2.79Å; E28-R30 IonicContact OE1-NE 2.69Å; E28-R30 PolarHBondContact OE1-NE 3.39Å; E28-R30 IonicContact OE1-NH2 3.51Å; E28-R30 PolarHBondContact OE1-NH2 3.1Å; E28-R30 IonicContact OE2-CZ 2.95Å; E28-R30 IonicContact OE2-NE 3.78Å; E28-R30 IonicContact OE2-NH2 2.77Å; E28-R30 PolarHBondContact OE2-NH2 3.07Å; R30-R274 PolarHBondContact O-NE 3.2Å; R30-S276 WeakPolarHBondContact O-CB 3.48Å; R30-S276 PolarHBondContact O-OG 2.83Å; R30-F287 HydrophobicContact CB-CB 4.45Å; R30-F287 HydrophobicContact CB-CD1 3.93Å; R30-F287 HydrophobicContact CB-CD2 4.24Å; R30-F287 HydrophobicContact CB-CE1 4.22Å; R30-F287 HydrophobicContact CB-CG 3.94Å; R30-F287 HydrophobicContact CB-CZ 4.5Å; R30-F287 VanDerWaalsContact NE-CD2 3.34Å
31L91.3Very high87.8Confident1 Ų143.1 Ų43.11%0.00523%0.227CC..THydrogen-bonded Turntrans-85.5-35.5177.3-74174.2000112.8E28 P29 L57 L61 L233 V262 C264 F287E28-L31 HydrophobicContact CB-CB 4.39Å; E28-L31 HydrophobicContact CB-CD1 3.88Å; E28-L31 HydrophobicContact CB-CG 4.14Å; E28-L31 HydrophobicContact CG-CB 4.19Å; E28-L31 HydrophobicContact CG-CD1 3.82Å; E28-L31 HydrophobicContact CG-CG 3.66Å; E28-L31 PolarHBondContact O-N 3.28Å; P29-L31 VanDerWaalsContact C-N 3.34Å; L31-L57 HydrophobicContact CD1-CD1 3.9Å; L31-L57 HydrophobicContact CD1-CD2 4.33Å; L31-L57 HydrophobicContact CD1-CG 4.36Å; L31-L57 HydrophobicContact CD2-CD1 4.12Å; L31-L57 HydrophobicContact CD2-CD2 4.28Å; L31-L61 HydrophobicContact CD1-CD2 4.1Å; L31-L233 HydrophobicContact CD1-CD1 4.2Å; L31-V262 HydrophobicContact CD2-CB 4.41Å; L31-V262 HydrophobicContact CD2-CG1 3.45Å; L31-V262 VanDerWaalsContact CD2-CG1 3.45Å; L31-V262 HydrophobicContact CD2-CG2 4.18Å; L31-C264 WeakPolarHBondContact O-CB 3.44Å; L31-F287 HydrophobicContact CD1-CZ 4.33Å; L31-F287 HydrophobicContact CD2-CE1 3.63Å; L31-F287 HydrophobicContact CD2-CZ 3.58Å; L31-F287 HydrophobicContact CG-CE1 4.08Å; L31-F287 HydrophobicContact CG-CZ 3.66Å
32F90.3Very high88.1Confident2 Ų244.1 Ų44.11%0.00923%0.232CC..SBendtrans-108.7152.3-170.8-57.3-78.4000111.2V27 E28 P38 V44 F197 L233 C264 R274V27-F32 HydrophobicContact CG1-CE2 4.05Å; E28-F32 WeakPolarHBondContact O-CD2 3.41Å; F32-P38 HydrophobicContact CE1-CG 4.5Å; F32-P38 HydrophobicContact CE2-CG 4.43Å; F32-P38 HydrophobicContact CZ-CG 4.1Å; F32-V44 HydrophobicContact CE1-CG1 4.38Å; F32-V44 HydrophobicContact CE1-CG2 4.42Å; F32-V44 HydrophobicContact CZ-CG1 4.39Å; F32-V44 HydrophobicContact CZ-CG2 4.33Å; F32-F197 HydrophobicContact CE2-CZ 4.27Å; F32-F197 AromaticContact CZ-CE1 3.9Å; F32-F197 HydrophobicContact CZ-CE1 3.9Å; F32-F197 AromaticContact CZ-CZ 3.8Å; F32-F197 HydrophobicContact CZ-CZ 3.8Å; F32-L233 HydrophobicContact CE1-CD2 4.15Å; F32-L233 HydrophobicContact CZ-CD1 4.35Å; F32-C264 VanDerWaalsContact CD1-SG 3.59Å; F32-R274 WeakPolarHBondContact O-CD 3.43Å; F32-R274 PolarHBondContact O-NH1 2.74Å
33A82.8Confident88.4Confident28 Ų2839.8 Ų39.823%0.23122%0.216CC..  trans-59.6162.6171.500000110.6D35 G36A33-D35 PolarHBondContact O-N 3.39Å; A33-G36 WeakPolarHBondContact O-CA 3.4Å; A33-G36 PolarHBondContact O-N 3.34Å
34D75.6Confident88.8Confident99 Ų9937.9 Ų37.953%0.52920%0.203SC..THydrogen-bonded Turntrans-57127.1178.1-58.3-24.9000109G36 R274 R292D34-G36 PolarHBondContact O-N 3.15Å; D34-G36 VanDerWaalsContact O-N 3.14Å; D34-R274 IonicContact OD1-NH1 2.78Å; D34-R292 IonicContact OD1-NH2 3.16Å; D34-R292 IonicContact OD2-CZ 2.63Å; D34-R292 IonicContact OD2-NH2 2.78Å; D34-R292 PolarHBondContact OD2-NH2 2.99Å
35D70.3Confident89Confident111 Ų11137.8 Ų37.859%0.59420%0.202SC*.THydrogen-bonded Turntrans59.212.9-170.9-77.4-57000116.8K25 A33K25-D35 VanDerWaalsContact CE-C 3.48Å; K25-D35 WeakPolarHBondContact CE-O 2.93Å; K25-D35 PolarHBondContact NZ-O 3.24Å; K25-D35 IonicContact NZ-OD1 2.73Å; K25-D35 PolarHBondContact NZ-OD1 3.23Å; A33-D35 PolarHBondContact O-N 3.39Å
36G78.1Confident89.4Confident6 Ų634.8 Ų34.86%0.06219%0.189CC..  trans-107.617-174.200000115.5A33 D34 H231A33-G36 WeakPolarHBondContact O-CA 3.4Å; A33-G36 PolarHBondContact O-N 3.34Å; D34-G36 PolarHBondContact O-N 3.15Å; D34-G36 VanDerWaalsContact O-N 3.14Å; G36-H231 PolarHBondContact O-NE2 2.94Å
37G87.4Confident89.8Confident8 Ų830.9 Ų30.98%0.08217%0.166CC..SBendtrans-77.9164.2173.600000113K25 D39K25-G37 WeakPolarHBondContact O-CA 3.41Å; G37-D39 PolarHBondContact O-N 2.81Å
38P91.9Very high89.9Confident0 Ų030.9 Ų30.90%017%0.166CC..  trans-71.3128.8-172.729.9-35.7000111.6L24 K25 F32 E42 V44 T195 F197L24-P38 CarbonylContact C-O 3.45Å; K25-P38 WeakPolarHBondContact CA-O 3.37Å; K25-P38 PolarHBondContact N-O 3.36Å; K25-P38 VanDerWaalsContact N-O 3.15Å; F32-P38 HydrophobicContact CE1-CG 4.5Å; F32-P38 HydrophobicContact CE2-CG 4.43Å; F32-P38 HydrophobicContact CZ-CG 4.1Å; P38-E42 VanDerWaalsContact CA-OE2 3.28Å; P38-E42 WeakPolarHBondContact CA-OE2 3.33Å; P38-E42 HydrophobicContact CB-CB 4.23Å; P38-V44 HydrophobicContact CB-CG2 3.73Å; P38-V44 HydrophobicContact CG-CG2 3.79Å; P38-T195 HydrophobicContact CB-CG2 3.88Å; P38-T195 HydrophobicContact CG-CG2 4.04Å; P38-F197 HydrophobicContact CG-CE2 3.96Å; P38-F197 HydrophobicContact CG-CZ 3.87Å
39D90.2Very high89.9Confident75 Ų7534 Ų3440%0.40119%0.187SC..  trans-82.3-177.4170.3-154.8-8000111.1C23 G37 E42 T195C23-D39 PolarHBondContact SG-OD1 2.71Å; G37-D39 PolarHBondContact O-N 2.81Å; D39-E42 HydrophobicContact CB-CG 4.38Å; D39-E42 PolarHBondContact N-OE2 3.2Å; D39-E42 WeakPolarHBondContact O-CB 3.39Å; D39-E42 PolarHBondContact O-N 3.06Å; D39-T195 PolarHBondContact O-OG1 3.38Å; D39-T195 VanDerWaalsContact O-OG1 3.12Å
40R90.5Very high90Very high66 Ų6638.5 Ų38.525%0.24920%0.202CC..THydrogen-bonded Turntrans-65.1131.3177.9-61.4154.4-179-79.11.3110.8R21 C23 E42 R193R21-R40 PolarHBondContact O-NH1 2.78Å; R21-R40 PolarHBondContact O-NH2 2.63Å; C23-R40 HydrophobicContact CB-CG 4.48Å; R40-E42 VanDerWaalsContact C-N 3.26Å; R40-R193 HydrophobicContact CB-CB 4.11Å; R40-R193 WeakPolarHBondContact CB-O 3.33Å
41G93.9Very high90.1Very high24 Ų2436.4 Ų36.425%0.24721%0.21CC..THydrogen-bonded Turntrans80.19.3-178.700000113.5I194G41-I194 WeakPolarHBondContact CA-O 3.38Å; G41-I194 PolarHBondContact N-O 2.77Å
42E95.1Very high90.2Very high33 Ų3336.7 Ų36.715%0.15421%0.212CC..  trans-96.6157.2175.8-65.8-161.7135.500112.7P38 D39 R40 I196 T230 H231 T268P38-E42 VanDerWaalsContact CA-OE2 3.28Å; P38-E42 WeakPolarHBondContact CA-OE2 3.33Å; P38-E42 HydrophobicContact CB-CB 4.23Å; D39-E42 HydrophobicContact CB-CG 4.38Å; D39-E42 PolarHBondContact N-OE2 3.2Å; D39-E42 WeakPolarHBondContact O-CB 3.39Å; D39-E42 PolarHBondContact O-N 3.06Å; R40-E42 VanDerWaalsContact C-N 3.26Å; E42-I196 PolarHBondContact O-N 3Å; E42-T230 HydrophobicContact CB-CG2 4.17Å; E42-T230 WeakPolarHBondContact CB-OG1 3.29Å; E42-T230 HydrophobicContact CG-CG2 4.13Å; E42-H231 IonicContact OE2-CE1 3.16Å; E42-H231 PolarHBondContact OE2-CE1 3.23Å; E42-H231 IonicContact OE2-ND1 2.78Å; E42-T268 WeakPolarHBondContact OE1-CB 3.26Å; E42-T268 PolarHBondContact OE1-OG1 3.25Å
43V97.3Very high90.4Very high0 Ų037.1 Ų37.10%022%0.217CC..EExtended strand (participates in β ladder)trans-123.7128.1-177.6-175.20000110.8L189 I196 W225 L228 V229 T230 H231V43-L189 HydrophobicContact CG2-CD1 3.31Å; V43-L189 HydrophobicContact CG2-CD2 4.08Å; V43-L189 HydrophobicContact CG2-CG 4.33Å; V43-I196 CarbonylContact C-O 3.34Å; V43-I196 WeakPolarHBondContact CA-O 3.46Å; V43-I196 HydrophobicContact CB-CB 4.5Å; V43-I196 HydrophobicContact CG1-CB 4.17Å; V43-I196 HydrophobicContact CG1-CG2 4.11Å; V43-I196 HydrophobicContact CG2-CB 4.18Å; V43-I196 HydrophobicContact CG2-CD1 4.37Å; V43-W225 HydrophobicContact CG1-CH2 3.71Å; V43-W225 HydrophobicContact CG1-CZ2 4.21Å; V43-W225 HydrophobicContact CG1-CZ3 4.3Å; V43-L228 WeakPolarHBondContact CB-O 3.04Å; V43-L228 HydrophobicContact CG2-CB 4.04Å; V43-L228 WeakPolarHBondContact CG2-O 3.48Å; V43-V229 HydrophobicContact CG1-CG2 4.35Å; V43-T230 PolarHBondContact N-OG1 2.9Å; V43-T230 PolarHBondContact O-N 2.83Å; V43-T230 PolarHBondContact O-OG1 3.48Å; V43-H231 PolarHBondContact O-N 2.88Å
44V97.2Very high91.1Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-106.8116.2173.7-170.30000109.7F32 P38 I196 F197 A198 H231 L233F32-V44 HydrophobicContact CE1-CG1 4.38Å; F32-V44 HydrophobicContact CE1-CG2 4.42Å; F32-V44 HydrophobicContact CZ-CG1 4.39Å; F32-V44 HydrophobicContact CZ-CG2 4.33Å; P38-V44 HydrophobicContact CB-CG2 3.73Å; P38-V44 HydrophobicContact CG-CG2 3.79Å; V44-I196 PolarHBondContact N-O 3.4Å; V44-F197 HydrophobicContact CB-CD1 3.58Å; V44-F197 HydrophobicContact CB-CD2 4.17Å; V44-F197 HydrophobicContact CB-CE1 3.67Å; V44-F197 HydrophobicContact CB-CE2 4.24Å; V44-F197 HydrophobicContact CB-CG 3.85Å; V44-F197 HydrophobicContact CB-CZ 4.02Å; V44-F197 HydrophobicContact CG1-CD1 3.73Å; V44-F197 HydrophobicContact CG1-CE1 3.63Å; V44-F197 HydrophobicContact CG1-CG 4.49Å; V44-F197 HydrophobicContact CG1-CZ 4.32Å; V44-F197 HydrophobicContact CG2-CD1 4.09Å; V44-F197 HydrophobicContact CG2-CD2 4.09Å; V44-F197 HydrophobicContact CG2-CE1 3.74Å; V44-F197 HydrophobicContact CG2-CE2 3.73Å; V44-F197 HydrophobicContact CG2-CG 4.27Å; V44-F197 HydrophobicContact CG2-CZ 3.55Å; V44-F197 WeakPolarHBondContact O-CA 3.3Å; V44-A198 PolarHBondContact O-N 3.29Å; V44-H231 WeakPolarHBondContact CA-O 3.2Å; V44-H231 HydrophobicContact CB-CB 4.24Å; V44-H231 HydrophobicContact CG1-CB 4Å; V44-H231 HydrophobicContact CG2-CB 3.96Å; V44-L233 HydrophobicContact CG1-CD1 3.81Å; V44-L233 HydrophobicContact CG1-CG 3.69Å
45E97.5Very high92Very high0 Ų033.2 Ų33.20%019%0.193CC..EExtended strand (participates in β ladder)trans-90.1117172.5-174.1-179.6-123.300109.6A198 C200 S219 W225 V229 H231 R232 L233E45-A198 CarbonylContact C-O 3.54Å; E45-A198 WeakPolarHBondContact CA-O 3.33Å; E45-C200 HydrophobicContact CG-CB 4Å; E45-S219 WeakPolarHBondContact OE1-CB 3.09Å; E45-S219 PolarHBondContact OE1-OG 3.16Å; E45-W225 HydrophobicContact CG-CZ2 4.46Å; E45-W225 PolarHBondContact OE1-NE1 2.93Å; E45-V229 HydrophobicContact CB-CG1 3.67Å; E45-V229 HydrophobicContact CB-CG2 4.01Å; E45-H231 PolarHBondContact N-O 3.12Å; E45-R232 CarbonylContact O-C 3.49Å; E45-R232 VanDerWaalsContact O-CA 3.3Å; E45-R232 WeakPolarHBondContact O-CA 3.37Å; E45-R232 IonicContact OE2-CZ 3.94Å; E45-R232 IonicContact OE2-NE 2.7Å; E45-R232 PolarHBondContact OE2-NE 3.3Å; E45-R232 IonicContact OE2-NH2 3.2Å; E45-R232 PolarHBondContact OE2-NH2 3.15Å; E45-L233 PolarHBondContact O-N 2.77Å
46V97.4Very high93.3Very high0 Ų029.6 Ų29.60%017%0.173CC..EExtended strand (participates in β ladder)trans-94.597.1175.6-171.40000108.5K54 L57 L58 F197 A198 T199 C200 L233V46-K54 HydrophobicContact CG1-CB 4.12Å; V46-K54 HydrophobicContact CG1-CD 4.31Å; V46-K54 HydrophobicContact CG1-CG 4.01Å; V46-L57 HydrophobicContact CG1-CD2 4.3Å; V46-L58 HydrophobicContact CG2-CD2 4.33Å; V46-F197 HydrophobicContact CG2-CD1 4.21Å; V46-A198 PolarHBondContact N-O 3.44Å; V46-T199 HydrophobicContact CB-CG2 4.1Å; V46-T199 HydrophobicContact CG1-CG2 4.46Å; V46-T199 CarbonylContact O-C 3.49Å; V46-T199 WeakPolarHBondContact O-CA 3.41Å; V46-C200 PolarHBondContact O-N 3.25Å; V46-L233 CarbonylContact C-O 3.57Å; V46-L233 WeakPolarHBondContact CA-O 3.26Å; V46-L233 HydrophobicContact CG1-CB 4.44Å; V46-L233 HydrophobicContact CG2-CB 4.44Å; V46-L233 HydrophobicContact CG2-CD1 4.25Å
47Y95.6Very high94.2Very high28 Ų2829.3 Ų29.311%0.1117%0.17CC..EExtended strand (participates in β ladder)trans-103.3136.6-171179.8-101.5000112C200 P202 L233 V234 C235Y47-C200 WeakPolarHBondContact CA-O 3.36Å; Y47-C200 HydrophobicContact CD2-CB 4.05Å; Y47-P202 HydrophobicContact CE1-CG 4.33Å; Y47-P202 HydrophobicContact CE2-CB 4.38Å; Y47-P202 HydrophobicContact CE2-CG 4.21Å; Y47-P202 WeakPolarHBondContact OH-CA 3.35Å; Y47-P202 WeakPolarHBondContact OH-CB 3.39Å; Y47-L233 PolarHBondContact N-O 2.79Å; Y47-V234 HydrophobicContact CD1-CG1 4.38Å; Y47-V234 CarbonylContact O-C 3.56Å; Y47-V234 WeakPolarHBondContact O-CA 3.41Å; Y47-C235 PolarHBondContact O-N 3.34Å
48G93.5Very high94.7Very high0 Ų028.9 Ų28.90%017%0.166CC..  trans162.5162.7170.200000114K54 C200 P202G48-K54 WeakPolarHBondContact O-CE 3.19Å; G48-K54 PolarHBondContact O-NZ 2.82Å; G48-C200 PolarHBondContact N-O 3.24Å; G48-C200 VanDerWaalsContact N-O 3.15Å; G48-P202 VanDerWaalsContact O-CD 3.24Å; G48-P202 WeakPolarHBondContact O-CD 3.44Å
49P92.5Very high95Very high69 Ų6929.1 Ų29.145%0.44817%0.167SC..  trans-53.6164.6178-24.431.3000114.1T52 K54 P202P49-T52 HydrophobicContact CB-CG2 4.02Å; P49-T52 HydrophobicContact CG-CG2 4.27Å; P49-T52 WeakPolarHBondContact O-CG2 3.39Å; P49-T52 PolarHBondContact O-OG1 2.9Å; P49-K54 PolarHBondContact O-NZ 2.9Å; P49-P202 HydrophobicContact CG-CG 4.08Å
50E90.9Very high95.3Very high163 Ų16325.7 Ų25.776%0.76215%0.148SC*.THydrogen-bonded Turntrans-58.3147.6168.5-72.2172.8-159.500111.2T52E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 3.01Å
51G92.2Very high95.6Very high51 Ų5122.5 Ų22.553%0.52614%0.136SC..THydrogen-bonded Turntrans71.416.1179.500000115.5F260G51-F260 WeakPolarHBondContact O-CE1 3.39Å
52T94.3Very high95.8Very high7 Ų721.5 Ų21.54%0.04313%0.125CC..SBendtrans-95.515173.963.70000114.5P49 E50 C235 R237 F260P49-T52 HydrophobicContact CB-CG2 4.02Å; P49-T52 HydrophobicContact CG-CG2 4.27Å; P49-T52 WeakPolarHBondContact O-CG2 3.39Å; P49-T52 PolarHBondContact O-OG1 2.9Å; E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 3.01Å; T52-C235 PolarHBondContact OG1-O 3.14Å; T52-R237 HydrophobicContact CG2-CB 4.44Å; T52-F260 VanDerWaalsContact C-CD1 3.5Å; T52-F260 WeakPolarHBondContact O-CD1 3.43Å
53G94.4Very high95.9Very high12 Ų1220 Ų2012%0.12412%0.118CC..SBendtrans81.615173.700000115.7E56 L57G53-E56 PolarHBondContact O-N 2.95Å; G53-L57 PolarHBondContact O-N 2.65Å
54K96.4Very high95.8Very high10 Ų1022.5 Ų22.54%0.04313%0.127CC..Hα-helixtrans-57.9-51.5-179.9-59.4-170.3-59.1-67.40113.2V46 G48 P49 E56 L57 L58 T199 C235V46-K54 HydrophobicContact CG1-CB 4.12Å; V46-K54 HydrophobicContact CG1-CD 4.31Å; V46-K54 HydrophobicContact CG1-CG 4.01Å; G48-K54 WeakPolarHBondContact O-CE 3.19Å; G48-K54 PolarHBondContact O-NZ 2.82Å; P49-K54 PolarHBondContact O-NZ 2.9Å; K54-E56 VanDerWaalsContact C-N 3.34Å; K54-E56 PolarHBondContact O-N 3.16Å; K54-L57 WeakPolarHBondContact O-CB 3.2Å; K54-L57 PolarHBondContact O-N 3.46Å; K54-L57 VanDerWaalsContact O-N 3.12Å; K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.94Å; K54-T199 HydrophobicContact CB-CG2 3.93Å; K54-C235 HydrophobicContact CG-CB 4.09Å
55T96Very high95.8Very high35 Ų3522.5 Ų22.522%0.21513%0.127CC..Hα-helixtrans-64.4-38.3179.6-52.10000111.8L57 L58 Y59 D154T55-L57 VanDerWaalsContact C-N 3.3Å; T55-L57 PolarHBondContact O-N 3.01Å; T55-L58 WeakPolarHBondContact O-CB 3.42Å; T55-L58 PolarHBondContact O-N 3.12Å; T55-L58 VanDerWaalsContact O-N 3.13Å; T55-Y59 HydrophobicContact CG2-CD1 4.47Å; T55-Y59 HydrophobicContact CG2-CE1 3.78Å; T55-Y59 HydrophobicContact CG2-CE2 4.19Å; T55-Y59 PolarHBondContact O-N 3.12Å; T55-D154 WeakPolarHBondContact CG2-OD2 3.48Å; T55-D154 PolarHBondContact OG1-OD2 2.85Å
56E96.6Very high95.8Very high34 Ų3422.5 Ų22.516%0.15913%0.128CC..Hα-helixtrans-63-36.8172.8-71.7-70.614700112G53 K54 Y59 H60 R91 V280 V285G53-E56 PolarHBondContact O-N 2.95Å; K54-E56 VanDerWaalsContact C-N 3.34Å; K54-E56 PolarHBondContact O-N 3.16Å; E56-Y59 PolarHBondContact O-N 2.87Å; E56-H60 WeakPolarHBondContact O-CB 3.28Å; E56-H60 PolarHBondContact O-N 3.44Å; E56-R91 IonicContact OE1-CZ 2.79Å; E56-R91 IonicContact OE1-NE 2.64Å; E56-R91 PolarHBondContact OE1-NE 2.89Å; E56-R91 IonicContact OE1-NH2 3.21Å; E56-R91 PolarHBondContact OE1-NH2 2.96Å; E56-R91 IonicContact OE2-CZ 3.48Å; E56-R91 IonicContact OE2-NE 3.04Å; E56-R91 PolarHBondContact OE2-NE 3.35Å; E56-R91 IonicContact OE2-NH2 3.95Å; E56-R91 PolarHBondContact OE2-NH2 2.85Å; E56-V280 HydrophobicContact CB-CG1 4.48Å; E56-V280 HydrophobicContact CB-CG2 3.97Å; E56-V280 HydrophobicContact CG-CG1 3.8Å; E56-V280 HydrophobicContact CG-CG2 3.96Å; E56-V280 WeakPolarHBondContact OE2-CG1 3.26Å; E56-V285 HydrophobicContact CB-CG2 4.12Å; E56-V285 WeakPolarHBondContact O-CG2 3.31Å
57L97.2Very high95.6Very high0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-66-38.8172.9-167.663.4000111.8L31 V46 G53 K54 T55 H60 L61 L233 F287L31-L57 HydrophobicContact CD1-CD1 3.9Å; L31-L57 HydrophobicContact CD1-CD2 4.33Å; L31-L57 HydrophobicContact CD1-CG 4.36Å; L31-L57 HydrophobicContact CD2-CD1 4.12Å; L31-L57 HydrophobicContact CD2-CD2 4.28Å; V46-L57 HydrophobicContact CG1-CD2 4.3Å; G53-L57 PolarHBondContact O-N 2.65Å; K54-L57 WeakPolarHBondContact O-CB 3.2Å; K54-L57 PolarHBondContact O-N 3.46Å; K54-L57 VanDerWaalsContact O-N 3.12Å; T55-L57 VanDerWaalsContact C-N 3.3Å; T55-L57 PolarHBondContact O-N 3.01Å; L57-H60 WeakPolarHBondContact O-CB 3.49Å; L57-H60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.05Å; L57-L233 HydrophobicContact CD2-CD1 4.11Å; L57-F287 HydrophobicContact CD1-CZ 4.28Å
58L97.9Very high95.5Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-62.9-42.8172.3-60-166.1000111.6V46 K54 T55 H60 L61 L62 F80 L152 D154 F197 T199V46-L58 HydrophobicContact CG2-CD2 4.33Å; K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.94Å; T55-L58 WeakPolarHBondContact O-CB 3.42Å; T55-L58 PolarHBondContact O-N 3.12Å; T55-L58 VanDerWaalsContact O-N 3.13Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.39Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.22Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-F80 HydrophobicContact CB-CE2 4.28Å; L58-F80 HydrophobicContact CD1-CE2 3.97Å; L58-F80 HydrophobicContact CD1-CZ 4.1Å; L58-L152 HydrophobicContact CB-CD1 4.45Å; L58-L152 HydrophobicContact CD2-CD2 4.33Å; L58-D154 HydrophobicContact CD1-CB 3.7Å; L58-F197 HydrophobicContact CD2-CB 4.37Å; L58-T199 HydrophobicContact CD1-CG2 3.69Å; L58-T199 HydrophobicContact CD2-CG2 4.03Å; L58-T199 HydrophobicContact CG-CG2 3.89Å
59Y97.8Very high95.4Very high5 Ų528 Ų282%0.0216%0.156CC..Hα-helixtrans-60.6-41.9175.3-66.5-11.2000111.7T55 E56 L61 L62 C63 S86 L87 D88 R91 L92T55-Y59 HydrophobicContact CG2-CD1 4.47Å; T55-Y59 HydrophobicContact CG2-CE1 3.78Å; T55-Y59 HydrophobicContact CG2-CE2 4.19Å; T55-Y59 PolarHBondContact O-N 3.12Å; E56-Y59 PolarHBondContact O-N 2.87Å; Y59-L61 PolarHBondContact O-N 2.95Å; Y59-L62 PolarHBondContact O-N 3.29Å; Y59-C63 VanDerWaalsContact O-CB 3.31Å; Y59-C63 WeakPolarHBondContact O-CB 3.19Å; Y59-C63 PolarHBondContact O-N 2.73Å; Y59-C63 PolarHBondContact O-SG 3.16Å; Y59-S86 PolarHBondContact OH-O 3.06Å; Y59-L87 HydrophobicContact CD1-CD1 4.41Å; Y59-L87 HydrophobicContact CE1-CD1 3.42Å; Y59-L87 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L87 WeakPolarHBondContact OH-CA 3.42Å; Y59-D88 PolarHBondContact OH-N 2.88Å; Y59-R91 HydrophobicContact CD2-CG 4.02Å; Y59-R91 HydrophobicContact CE2-CB 4.22Å; Y59-R91 HydrophobicContact CE2-CG 3.66Å; Y59-L92 HydrophobicContact CD1-CD1 4.23Å; Y59-L92 HydrophobicContact CG-CD1 4.27Å
60H97Very high95.2Very high2 Ų229.9 Ų29.91%0.00918%0.178CC..Hα-helixtrans-59.5-47175.517383.5000112.3E28 E56 L57 L58 R64 R99 V285 F287E28-H60 IonicContact OE2-CD2 3.5Å; E28-H60 IonicContact OE2-CE1 2.92Å; E28-H60 PolarHBondContact OE2-CE1 3Å; E28-H60 IonicContact OE2-NE2 3.7Å; E28-H60 PolarHBondContact OE2-NE2 3.45Å; E56-H60 WeakPolarHBondContact O-CB 3.28Å; E56-H60 PolarHBondContact O-N 3.44Å; L57-H60 WeakPolarHBondContact O-CB 3.49Å; L57-H60 PolarHBondContact O-N 2.9Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.39Å; H60-R64 VanDerWaalsContact NE2-CD 3.33Å; H60-R64 WeakPolarHBondContact NE2-CD 3.12Å; H60-R64 WeakPolarHBondContact O-CG 3.38Å; H60-R64 PolarHBondContact O-N 3.44Å; H60-R99 PolarHBondContact CE1-NH2 3.31Å; H60-R99 PolarHBondContact ND1-NH2 3Å; H60-V285 HydrophobicContact CB-CB 3.77Å; H60-V285 HydrophobicContact CB-CG2 3.84Å; H60-F287 AromaticContact CE1-CE2 3.99Å; H60-F287 AromaticContact NE2-CE2 3.69Å
61L97.4Very high95Very high0 Ų024.2 Ų24.20%016%0.159CC..Hα-helixtrans-65.6-43.2177.5-67.8168.4000111.9V27 E28 L31 L57 L58 Y59 R64 C65 F197V27-L61 HydrophobicContact CG1-CD2 3.99Å; V27-L61 HydrophobicContact CG2-CD2 3.86Å; E28-L61 HydrophobicContact CB-CD2 4.14Å; L31-L61 HydrophobicContact CD1-CD2 4.1Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.05Å; L58-L61 PolarHBondContact O-N 2.88Å; Y59-L61 PolarHBondContact O-N 2.95Å; L61-R64 PolarHBondContact O-N 3.48Å; L61-C65 WeakPolarHBondContact O-CB 3.4Å; L61-C65 PolarHBondContact O-N 2.96Å; L61-C65 PolarHBondContact O-SG 2.67Å; L61-F197 HydrophobicContact CD1-CD1 3.4Å; L61-F197 HydrophobicContact CD1-CE1 3.37Å; L61-F197 HydrophobicContact CD1-CG 4.13Å; L61-F197 HydrophobicContact CD1-CZ 4.09Å; L61-F197 HydrophobicContact CD2-CE1 4.39Å; L61-F197 HydrophobicContact CD2-CZ 4.49Å
62L97.9Very high94.8Very high2 Ų224.2 Ų24.21%0.0116%0.159CC..Hα-helixtrans-57.9-52.9175.7-173171.1000110.3L58 Y59 R64 C65 V66 V78 F80 L92 L120 L152L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.22Å; L58-L62 PolarHBondContact O-N 3.41Å; Y59-L62 PolarHBondContact O-N 3.29Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.15Å; L62-C65 WeakPolarHBondContact O-CA 3.43Å; L62-C65 WeakPolarHBondContact O-CB 3.46Å; L62-C65 PolarHBondContact O-N 3.21Å; L62-V66 HydrophobicContact CD2-CG1 3.9Å; L62-V66 HydrophobicContact CD2-CG2 3.85Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 3.26Å; L62-V78 HydrophobicContact CG-CG1 4.22Å; L62-F80 HydrophobicContact CD1-CD2 4.05Å; L62-L92 HydrophobicContact CD1-CD1 4.08Å; L62-L92 HydrophobicContact CD1-CD2 3.88Å; L62-L92 HydrophobicContact CD2-CD1 3.98Å; L62-L92 HydrophobicContact CD2-CD2 4.31Å; L62-L120 HydrophobicContact CD1-CD1 3.77Å; L62-L120 HydrophobicContact CD1-CD2 4.12Å; L62-L120 HydrophobicContact CD2-CD1 4.48Å; L62-L120 HydrophobicContact CD2-CD2 4.48Å; L62-L120 HydrophobicContact CG-CD1 4.23Å; L62-L152 HydrophobicContact CB-CD1 3.83Å; L62-L152 HydrophobicContact CD1-CD1 4.22Å; L62-L152 HydrophobicContact CG-CD1 4.25Å
63C96.7Very high94.7Very high1 Ų124.1 Ų24.11%0.00716%0.16CC..Hα-helixtrans-57.4-47.1179-73.80000111.2Y59 C65 V66 L67 L96Y59-C63 VanDerWaalsContact O-CB 3.31Å; Y59-C63 WeakPolarHBondContact O-CB 3.19Å; Y59-C63 PolarHBondContact O-N 2.73Å; Y59-C63 PolarHBondContact O-SG 3.16Å; C63-C65 PolarHBondContact O-N 3.3Å; C63-V66 PolarHBondContact O-N 3.12Å; C63-L67 VanDerWaalsContact O-CB 3.25Å; C63-L67 WeakPolarHBondContact O-CB 3.39Å; C63-L67 WeakPolarHBondContact O-CD1 3.44Å; C63-L67 WeakPolarHBondContact O-CG 3.4Å; C63-L67 PolarHBondContact O-N 3.04Å; C63-L96 HydrophobicContact CB-CD1 4.22Å
64R95.4Very high94.7Very high53 Ų5324.7 Ų24.720%0.216%0.16CC..Hα-helixtrans-59-32.7175.8-73.5-176.961.489.2-3.1112.7V27 E28 H60 L61 L62 G73 L74V27-R64 WeakPolarHBondContact O-CD 3.17Å; V27-R64 PolarHBondContact O-NE 2.91Å; V27-R64 PolarHBondContact O-NH2 3.19Å; E28-R64 IonicContact OE2-CZ 3.15Å; E28-R64 IonicContact OE2-NE 2.77Å; H60-R64 VanDerWaalsContact NE2-CD 3.33Å; H60-R64 WeakPolarHBondContact NE2-CD 3.12Å; H60-R64 WeakPolarHBondContact O-CG 3.38Å; H60-R64 PolarHBondContact O-N 3.44Å; L61-R64 PolarHBondContact O-N 3.48Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.15Å; R64-G73 CarbonylContact O-C 3.59Å; R64-G73 WeakPolarHBondContact O-CA 3.4Å; R64-L74 PolarHBondContact O-N 2.99Å
65C96.9Very high94.6Very high0 Ų027 Ų270%017%0.17CC..Hα-helixtrans-74.1-46.7177.3-72.40000113.1L61 L62 C63 L74 E75 V76 V78 L150L61-C65 WeakPolarHBondContact O-CB 3.4Å; L61-C65 PolarHBondContact O-N 2.96Å; L61-C65 PolarHBondContact O-SG 2.67Å; L62-C65 WeakPolarHBondContact O-CA 3.43Å; L62-C65 WeakPolarHBondContact O-CB 3.46Å; L62-C65 PolarHBondContact O-N 3.21Å; C63-C65 PolarHBondContact O-N 3.3Å; C65-L74 CarbonylContact O-C 3.49Å; C65-E75 WeakPolarHBondContact O-CA 3.35Å; C65-E75 PolarHBondContact O-N 3.07Å; C65-V76 HydrophobicContact CB-CG2 3.53Å; C65-V76 PolarHBondContact O-N 3.15Å; C65-V78 HydrophobicContact CB-CG2 3.51Å; C65-L150 HydrophobicContact CB-CD2 4.25Å; C65-L150 VanDerWaalsContact SG-CD2 3.52Å
66V96.9Very high94.6Very high1 Ų125.5 Ų25.51%0.00616%0.162CC..Hα-helixtrans-83.6-19.7-173-59.30000114.1L62 C63 V78 L96 C116 R119L62-V66 HydrophobicContact CD2-CG1 3.9Å; L62-V66 HydrophobicContact CD2-CG2 3.85Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 3.26Å; C63-V66 PolarHBondContact O-N 3.12Å; V66-V78 HydrophobicContact CG1-CB 4.3Å; V66-V78 HydrophobicContact CG1-CG2 3.7Å; V66-L96 HydrophobicContact CG2-CD1 3.97Å; V66-L96 HydrophobicContact CG2-CD2 4.36Å; V66-C116 HydrophobicContact CB-CB 4.49Å; V66-C116 HydrophobicContact CG2-CB 4.19Å; V66-R119 HydrophobicContact CB-CB 4.27Å; V66-R119 HydrophobicContact CG1-CB 4.03Å; V66-R119 PolarHBondContact O-NH1 3.02Å
67L94.6Very high94.6Very high7 Ų724.7 Ų24.74%0.03716%0.158CC..SBendtrans-63.4148.7178.8-81.5169.6000111.8C63 G73 L74 E75 L96 R99 L100C63-L67 VanDerWaalsContact O-CB 3.25Å; C63-L67 WeakPolarHBondContact O-CB 3.39Å; C63-L67 WeakPolarHBondContact O-CD1 3.44Å; C63-L67 WeakPolarHBondContact O-CG 3.4Å; C63-L67 PolarHBondContact O-N 3.04Å; L67-G73 CarbonylContact O-C 3.51Å; L67-G73 WeakPolarHBondContact O-CA 3.22Å; L67-L74 PolarHBondContact O-N 3Å; L67-E75 WeakPolarHBondContact O-CA 3.45Å; L67-E75 PolarHBondContact O-N 2.97Å; L67-L96 HydrophobicContact CD1-CD1 4.43Å; L67-L96 HydrophobicContact CD2-CD1 3.57Å; L67-L96 HydrophobicContact CG-CD1 3.7Å; L67-R99 HydrophobicContact CD1-CB 3.98Å; L67-L100 HydrophobicContact CD2-CD2 3.4Å; L67-L100 HydrophobicContact CD2-CG 3.69Å
68P92.8Very high94.6Very high23 Ų2324.8 Ų24.815%0.14916%0.159CC..  trans-64152.1174.6-1832.2000111.8A70 A71 G72 G73 V112P68-A70 VanDerWaalsContact C-N 3.25Å; P68-A70 PolarHBondContact O-N 2.85Å; P68-A71 CarbonylContact O-C 3.6Å; P68-A71 PolarHBondContact O-N 2.79Å; P68-G72 PolarHBondContact O-N 2.77Å; P68-G73 WeakPolarHBondContact O-CA 3.47Å; P68-G73 PolarHBondContact O-N 3.13Å; P68-V112 HydrophobicContact CG-CG1 4.01Å
69E91.1Very high94.7Very high112 Ų11225 Ų2552%0.52316%0.16SC..G310 helixtrans-60.1-36.6177-62-167.7148.600112.6R22 A71 G72 G73 E75R22-E69 IonicContact CZ-OE1 3.84Å; R22-E69 IonicContact NH1-OE1 3.73Å; R22-E69 PolarHBondContact NH1-OE1 3.17Å; R22-E69 IonicContact NH2-OE1 3.69Å; R22-E69 PolarHBondContact NH2-OE1 3.27Å; E69-A71 PolarHBondContact O-N 3.14Å; E69-G72 WeakPolarHBondContact O-CA 3.47Å; E69-G72 PolarHBondContact O-N 2.82Å; E69-G73 WeakPolarHBondContact CA-O 3.25Å; E69-E75 HydrophobicContact CG-CB 4.3Å
70A88.3Confident94.7Very high110 Ų11024.7 Ų24.791%0.90916%0.159SC*.G310 helixtrans-61.2-23.5176.300000113.2P68P68-A70 VanDerWaalsContact C-N 3.25Å; P68-A70 PolarHBondContact O-N 2.85Å
71A87.6Confident94.8Very high43 Ų4324.6 Ų24.636%0.35516%0.158SC..G310 helixtrans-98.613.3174.100000112.6P68 E69 L100P68-A71 CarbonylContact O-C 3.6Å; P68-A71 PolarHBondContact O-N 2.79Å; E69-A71 PolarHBondContact O-N 3.14Å; A71-L100 HydrophobicContact CB-CD2 4.41Å
72G87.1Confident94.8Very high51 Ų5124.6 Ų24.653%0.52616%0.158SC..THydrogen-bonded Turntrans77.716.4-178.900000114.9P68 E69P68-G72 PolarHBondContact O-N 2.77Å; E69-G72 WeakPolarHBondContact O-CA 3.47Å; E69-G72 PolarHBondContact O-N 2.82Å
73G92.5Very high94.8Very high6 Ų624.8 Ų24.86%0.06216%0.16CC..  trans-88.6-175.6173.100000113.9R64 L67 P68 E69R64-G73 CarbonylContact O-C 3.59Å; R64-G73 WeakPolarHBondContact O-CA 3.4Å; L67-G73 CarbonylContact O-C 3.51Å; L67-G73 WeakPolarHBondContact O-CA 3.22Å; P68-G73 WeakPolarHBondContact O-CA 3.47Å; P68-G73 PolarHBondContact O-N 3.13Å; E69-G73 WeakPolarHBondContact CA-O 3.25Å
74L94Very high94.4Very high23 Ų2328 Ų2812%0.1218%0.177CC..  trans-109.6-5.6179.8-57.7176.7000113.3R22 L24 V27 R64 C65 L67 V76R22-L74 WeakPolarHBondContact CD-O 3.49Å; R22-L74 PolarHBondContact NE-O 3.31Å; R22-L74 PolarHBondContact NH1-O 3.44Å; L24-L74 HydrophobicContact CD2-CD1 3.65Å; V27-L74 HydrophobicContact CB-CD1 4.38Å; V27-L74 HydrophobicContact CG2-CD1 4.15Å; R64-L74 PolarHBondContact O-N 2.99Å; C65-L74 CarbonylContact O-C 3.49Å; L67-L74 PolarHBondContact O-N 3Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 HydrophobicContact CB-CG1 4.37Å; L74-V76 HydrophobicContact CB-CG2 4.44Å; L74-V76 WeakPolarHBondContact O-CG1 3.39Å; L74-V76 PolarHBondContact O-N 3.37Å; L74-V76 VanDerWaalsContact O-N 3.16Å
75E94.3Very high94.2Very high58 Ų5831.9 Ų31.927%0.27119%0.192SC..  trans46.745.3179.2-148.5-175.1104.400114.5C65 L67 E69 R147C65-E75 WeakPolarHBondContact O-CA 3.35Å; C65-E75 PolarHBondContact O-N 3.07Å; L67-E75 WeakPolarHBondContact O-CA 3.45Å; L67-E75 PolarHBondContact O-N 2.97Å; E69-E75 HydrophobicContact CG-CB 4.3Å; E75-R147 PolarHBondContact O-NH2 3.34Å; E75-R147 IonicContact OE1-CZ 3.93Å; E75-R147 IonicContact OE1-NH1 3.65Å; E75-R147 IonicContact OE1-NH2 2.76Å; E75-R147 PolarHBondContact OE1-NH2 3.21Å
76V95.7Very high93.8Very high5 Ų534 Ų343%0.0321%0.207CC..  trans-110.3158.2177.4-60.60000111.7R22 L24 C65 L74 A149R22-V76 HydrophobicContact CB-CG1 3.54Å; R22-V76 VanDerWaalsContact CD-CG1 3.45Å; R22-V76 HydrophobicContact CG-CG1 4.05Å; L24-V76 HydrophobicContact CD2-CG2 4.47Å; C65-V76 HydrophobicContact CB-CG2 3.53Å; C65-V76 PolarHBondContact O-N 3.15Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 HydrophobicContact CB-CG1 4.37Å; L74-V76 HydrophobicContact CB-CG2 4.44Å; L74-V76 WeakPolarHBondContact O-CG1 3.39Å; L74-V76 PolarHBondContact O-N 3.37Å; L74-V76 VanDerWaalsContact O-N 3.16Å; V76-A149 HydrophobicContact CB-CB 4.09Å; V76-A149 HydrophobicContact CG1-CB 4.13Å; V76-A149 HydrophobicContact CG2-CB 4.34Å
77D97.3Very high93.7Very high17 Ų1734.6 Ų34.69%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-79.9141.8172-71.918000110R119 R145 R147 A148 A149D77-R119 CarbonylContact C-O 3.58Å; D77-R119 VanDerWaalsContact CA-O 3.25Å; D77-R119 WeakPolarHBondContact CA-O 3.33Å; D77-R145 IonicContact OD2-CZ 4Å; D77-R145 VanDerWaalsContact OD2-CZ 3.29Å; D77-R145 IonicContact OD2-NE 3.87Å; D77-R145 PolarHBondContact OD2-NE 3.27Å; D77-R145 IonicContact OD2-NH2 3.56Å; D77-R145 PolarHBondContact OD2-NH2 3.32Å; D77-R147 HydrophobicContact CB-CB 4.31Å; D77-R147 PolarHBondContact N-O 3.02Å; D77-A148 HydrophobicContact CB-CB 3.98Å; D77-A148 WeakPolarHBondContact O-CA 3.5Å; D77-A149 PolarHBondContact O-N 3.15Å; D77-A149 VanDerWaalsContact O-N 3.12Å
78V98.3Very high93.8Very high1 Ų137.9 Ų37.91%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-123.4131.9-179.6-176.60000109L62 C65 V66 R119 L120 L121 L150 L152L62-V78 HydrophobicContact CG-CG1 4.22Å; C65-V78 HydrophobicContact CB-CG2 3.51Å; V66-V78 HydrophobicContact CG1-CB 4.3Å; V66-V78 HydrophobicContact CG1-CG2 3.7Å; V78-R119 PolarHBondContact N-O 2.83Å; V78-L120 HydrophobicContact CB-CD1 4.22Å; V78-L120 HydrophobicContact CG1-CD1 4.29Å; V78-L120 WeakPolarHBondContact O-CA 3.23Å; V78-L121 PolarHBondContact O-N 3.26Å; V78-L150 WeakPolarHBondContact CA-O 3.3Å; V78-L150 HydrophobicContact CG1-CB 4.25Å; V78-L150 HydrophobicContact CG1-CD2 3.99Å; V78-L150 HydrophobicContact CG1-CG 4.1Å; V78-L150 HydrophobicContact CG2-CB 4.2Å; V78-L150 HydrophobicContact CG2-CD2 4.13Å; V78-L152 HydrophobicContact CG1-CD1 3.85Å; V78-L152 HydrophobicContact CG1-CG 3.99Å
79V98.4Very high93.9Very high4 Ų440.3 Ų40.32%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-100.9125.6167.5-1780000107.9V81 L121 L138 L150 L151 L152V79-V81 HydrophobicContact CG1-CG2 4.39Å; V79-L121 CarbonylContact C-O 3.56Å; V79-L121 WeakPolarHBondContact CA-O 3.41Å; V79-L121 HydrophobicContact CG1-CD2 4.47Å; V79-L121 HydrophobicContact CG2-CB 4.44Å; V79-L121 HydrophobicContact CG2-CD2 4.33Å; V79-L138 HydrophobicContact CG1-CD1 4.35Å; V79-L138 HydrophobicContact CG1-CD2 3.74Å; V79-L150 PolarHBondContact N-O 2.98Å; V79-L151 HydrophobicContact CB-CD1 3.9Å; V79-L151 HydrophobicContact CG1-CD1 3.75Å; V79-L151 CarbonylContact O-C 3.55Å; V79-L151 WeakPolarHBondContact O-CA 3.33Å; V79-L152 PolarHBondContact O-N 2.87Å
80F98.6Very high94.1Very high0 Ų043.6 Ų43.60%025%0.251CS..EExtended strand (participates in β ladder)trans-113.6117.3175.3-165.8-71.5000109.6L58 L62 D82 L87 L120 L121 V122 V123 L152 D154L58-F80 HydrophobicContact CB-CE2 4.28Å; L58-F80 HydrophobicContact CD1-CE2 3.97Å; L58-F80 HydrophobicContact CD1-CZ 4.1Å; L62-F80 HydrophobicContact CD1-CD2 4.05Å; F80-D82 HydrophobicContact CD1-CB 3.94Å; F80-D82 HydrophobicContact CE1-CB 3.75Å; F80-L87 HydrophobicContact CD1-CD2 4.06Å; F80-L87 HydrophobicContact CE1-CB 4.16Å; F80-L87 HydrophobicContact CE1-CD1 4.38Å; F80-L87 HydrophobicContact CE1-CD2 4.32Å; F80-L87 HydrophobicContact CE2-CD1 4.45Å; F80-L87 HydrophobicContact CZ-CD1 4.28Å; F80-L120 HydrophobicContact CB-CD1 3.99Å; F80-L121 PolarHBondContact N-O 2.51Å; F80-V122 CarbonylContact O-C 3.59Å; F80-V122 WeakPolarHBondContact O-CA 3.49Å; F80-V123 PolarHBondContact O-N 3.31Å; F80-L152 HydrophobicContact CB-CB 4.47Å; F80-L152 HydrophobicContact CD2-CB 3.64Å; F80-L152 HydrophobicContact CD2-CD1 3.66Å; F80-L152 HydrophobicContact CD2-CG 4.26Å; F80-L152 HydrophobicContact CE2-CB 4.1Å; F80-L152 HydrophobicContact CE2-CD1 4.08Å; F80-L152 HydrophobicContact CG-CB 4.19Å; F80-D154 HydrophobicContact CE1-CB 3.95Å; F80-D154 HydrophobicContact CZ-CB 3.66Å
81V98.5Very high94.4Very high0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-101.2107.9173-177.40000108.5V79 T83 V123 L131 T134 L151 L152 I153 D154V79-V81 HydrophobicContact CG1-CG2 4.39Å; V81-T83 HydrophobicContact CG1-CG2 4.12Å; V81-V123 CarbonylContact C-O 3.54Å; V81-V123 WeakPolarHBondContact CA-O 3.47Å; V81-L131 HydrophobicContact CG1-CD1 3.7Å; V81-T134 HydrophobicContact CG2-CG2 4.39Å; V81-L151 HydrophobicContact CG2-CD1 3.82Å; V81-L152 PolarHBondContact N-O 2.78Å; V81-I153 HydrophobicContact CB-CG1 4.4Å; V81-I153 WeakPolarHBondContact O-CA 3.49Å; V81-D154 PolarHBondContact O-N 3.35Å
82D98.1Very high94.8Very high0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-96113.317918015.7000108.9F80 D84 Y85 S86 L87 V123 R124 C125F80-D82 HydrophobicContact CD1-CB 3.94Å; F80-D82 HydrophobicContact CE1-CB 3.75Å; D82-D84 PolarHBondContact OD1-N 2.77Å; D82-Y85 VanDerWaalsContact OD1-CA 3.24Å; D82-Y85 WeakPolarHBondContact OD1-CA 3.48Å; D82-Y85 PolarHBondContact OD1-N 3.23Å; D82-Y85 VanDerWaalsContact OD2-CA 3.3Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.49Å; D82-S86 PolarHBondContact OD1-N 3.1Å; D82-S86 VanDerWaalsContact OD1-N 3.16Å; D82-L87 HydrophobicContact CB-CB 4.27Å; D82-L87 WeakPolarHBondContact OD2-CB 3.46Å; D82-V123 PolarHBondContact N-O 3.18Å; D82-R124 HydrophobicContact CB-CG 4.21Å; D82-R124 CarbonylContact O-C 3.56Å; D82-R124 VanDerWaalsContact O-CA 3.26Å; D82-R124 WeakPolarHBondContact O-CA 3.23Å; D82-R124 IonicContact OD2-NE 2.87Å; D82-C125 PolarHBondContact O-N 3.29Å
83T97.1Very high95.2Very high6 Ų637.5 Ų37.54%0.03719%0.186CC..SBendtrans-106.3-19.4-179.366.60000112.7V81 C125 I153 D154 S155 A158 F159V81-T83 HydrophobicContact CG1-CG2 4.12Å; T83-C125 WeakPolarHBondContact CA-O 3.4Å; T83-C125 HydrophobicContact CG2-CB 4.28Å; T83-I153 HydrophobicContact CG2-CG2 4.5Å; T83-D154 PolarHBondContact N-O 3.05Å; T83-D154 VanDerWaalsContact OG1-C 3.32Å; T83-D154 PolarHBondContact OG1-O 2.79Å; T83-D154 VanDerWaalsContact OG1-O 3.1Å; T83-S155 PolarHBondContact OG1-N 3.15Å; T83-S155 PolarHBondContact OG1-O 2.95Å; T83-A158 WeakPolarHBondContact OG1-CB 3.42Å; T83-F159 HydrophobicContact CG2-CE2 3.89Å; T83-F159 HydrophobicContact CG2-CZ 4.15Å
84D88.4Confident95.2Very high69 Ų6939.9 Ų39.937%0.36920%0.201SC..SBendtrans-108.14.5-177-68.5-42.7000112.6D82 S86 D154 S155 A158D82-D84 PolarHBondContact OD1-N 2.77Å; D84-S86 PolarHBondContact O-N 2.66Å; D84-D154 PolarHBondContact N-O 3.31Å; D84-S155 VanDerWaalsContact OD2-CB 3.28Å; D84-S155 WeakPolarHBondContact OD2-CB 3.36Å; D84-S155 PolarHBondContact OD2-N 3.16Å; D84-S155 PolarHBondContact OD2-OG 2.82Å; D84-A158 WeakPolarHBondContact OD1-CB 3.45Å
85Y91.3Very high95.3Very high134 Ų13438.9 Ų38.953%0.52520%0.196SC..SBendtrans56.229.8-177.9-66.8-102.1000112.5D82 R124D82-Y85 VanDerWaalsContact OD1-CA 3.24Å; D82-Y85 WeakPolarHBondContact OD1-CA 3.48Å; D82-Y85 PolarHBondContact OD1-N 3.23Å; D82-Y85 VanDerWaalsContact OD2-CA 3.3Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.49Å; Y85-R124 HydrophobicContact CE1-CB 4.08Å; Y85-R124 VanDerWaalsContact CE1-CD 3.47Å; Y85-R124 HydrophobicContact CE1-CG 4.41Å
86S89.3Confident95.2Very high45 Ų4536.1 Ų36.132%0.31518%0.183SC..  trans-82.9-15.9-178.161.60000112.5Y59 D82 D84 D88 D154Y59-S86 PolarHBondContact OH-O 3.06Å; D82-S86 PolarHBondContact OD1-N 3.1Å; D82-S86 VanDerWaalsContact OD1-N 3.16Å; D84-S86 PolarHBondContact O-N 2.66Å; S86-D88 PolarHBondContact O-N 2.88Å; S86-D88 VanDerWaalsContact O-N 3.16Å; S86-D154 PolarHBondContact OG-OD2 3.21Å
87L94.6Very high95.1Very high12 Ų1238 Ų386%0.06319%0.193CC..  trans-69.9111.3-176.7179.767.1000111.4Y59 F80 D82 M89 V122Y59-L87 HydrophobicContact CD1-CD1 4.41Å; Y59-L87 HydrophobicContact CE1-CD1 3.42Å; Y59-L87 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L87 WeakPolarHBondContact OH-CA 3.42Å; F80-L87 HydrophobicContact CD1-CD2 4.06Å; F80-L87 HydrophobicContact CE1-CB 4.16Å; F80-L87 HydrophobicContact CE1-CD1 4.38Å; F80-L87 HydrophobicContact CE1-CD2 4.32Å; F80-L87 HydrophobicContact CE2-CD1 4.45Å; F80-L87 HydrophobicContact CZ-CD1 4.28Å; D82-L87 HydrophobicContact CB-CB 4.27Å; D82-L87 WeakPolarHBondContact OD2-CB 3.46Å; L87-M89 HydrophobicContact CD1-SD 4.43Å; L87-M89 HydrophobicContact CD2-SD 3.84Å; L87-M89 HydrophobicContact CG-SD 4.1Å; L87-V122 HydrophobicContact CD2-CB 4.23Å; L87-V122 HydrophobicContact CD2-CG1 3.39Å; L87-V122 HydrophobicContact CD2-CG2 3.73Å
88D96.2Very high94.8Very high76 Ų7639.1 Ų39.141%0.40620%0.202SC..  trans-99.5106.1171.1-177.1-16.3000109.7Y59 S86 F90 R91 L92Y59-D88 PolarHBondContact OH-N 2.88Å; S86-D88 PolarHBondContact O-N 2.88Å; S86-D88 VanDerWaalsContact O-N 3.16Å; D88-F90 VanDerWaalsContact C-N 3.3Å; D88-F90 PolarHBondContact O-N 3.15Å; D88-F90 WeakPolarHBondContact OD1-CA 3.32Å; D88-F90 WeakPolarHBondContact OD1-CB 3.48Å; D88-F90 PolarHBondContact OD1-N 3.33Å; D88-R91 HydrophobicContact CB-CB 3.8Å; D88-R91 PolarHBondContact O-N 3.23Å; D88-R91 PolarHBondContact OD1-N 3.32Å; D88-L92 PolarHBondContact O-N 3.5Å
89M95Very high94.3Very high74 Ų7441.8 Ų41.837%0.36521%0.212SC..Hα-helixtrans-66.8-29.3179.5-69.9-59.1-59.700113.1L87 L92 A93 L120 V122L87-M89 HydrophobicContact CD1-SD 4.43Å; L87-M89 HydrophobicContact CD2-SD 3.84Å; L87-M89 HydrophobicContact CG-SD 4.1Å; M89-L92 HydrophobicContact CE-CD2 4.33Å; M89-L92 HydrophobicContact SD-CD2 4.29Å; M89-A93 VanDerWaalsContact O-CB 3.31Å; M89-A93 WeakPolarHBondContact O-CB 3.44Å; M89-A93 PolarHBondContact O-N 3.42Å; M89-L120 HydrophobicContact CE-CD2 4.29Å; M89-V122 HydrophobicContact SD-CG2 4.25Å
90F95.2Very high93.9Very high181 Ų18142.4 Ų42.479%0.79422%0.215SC*.Hα-helixtrans-71-43.8176.4-66.4-73.8000110.4D88 A93 S94D88-F90 VanDerWaalsContact C-N 3.3Å; D88-F90 PolarHBondContact O-N 3.15Å; D88-F90 WeakPolarHBondContact OD1-CA 3.32Å; D88-F90 WeakPolarHBondContact OD1-CB 3.48Å; D88-F90 PolarHBondContact OD1-N 3.33Å; F90-A93 PolarHBondContact O-N 3.22Å; F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.15Å
91R95.9Very high93.3Very high48 Ų4845.5 Ų45.518%0.18123%0.232CC..Hα-helixtrans-58.5-48.1173.2178.759.5177167.59.5111.1E56 Y59 D88 A93 S94 V95 V280 T281 D282E56-R91 IonicContact OE1-CZ 2.79Å; E56-R91 IonicContact OE1-NE 2.64Å; E56-R91 PolarHBondContact OE1-NE 2.89Å; E56-R91 IonicContact OE1-NH2 3.21Å; E56-R91 PolarHBondContact OE1-NH2 2.96Å; E56-R91 IonicContact OE2-CZ 3.48Å; E56-R91 IonicContact OE2-NE 3.04Å; E56-R91 PolarHBondContact OE2-NE 3.35Å; E56-R91 IonicContact OE2-NH2 3.95Å; E56-R91 PolarHBondContact OE2-NH2 2.85Å; Y59-R91 HydrophobicContact CD2-CG 4.02Å; Y59-R91 HydrophobicContact CE2-CB 4.22Å; Y59-R91 HydrophobicContact CE2-CG 3.66Å; D88-R91 HydrophobicContact CB-CB 3.8Å; D88-R91 PolarHBondContact O-N 3.23Å; D88-R91 PolarHBondContact OD1-N 3.32Å; R91-A93 PolarHBondContact O-N 2.87Å; R91-S94 PolarHBondContact O-N 3.09Å; R91-V95 WeakPolarHBondContact O-CG2 3.08Å; R91-V95 PolarHBondContact O-N 2.94Å; R91-V280 VanDerWaalsContact NH2-CG1 3.27Å; R91-T281 PolarHBondContact NH1-O 2.92Å; R91-T281 PolarHBondContact NH2-O 2.77Å; R91-D282 PolarHBondContact NH1-O 3.41Å
92L96Very high92.3Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-59.6-47.6178.2177.961.6000112.3Y59 L62 D88 M89 S94 V95 L96 L120Y59-L92 HydrophobicContact CD1-CD1 4.23Å; Y59-L92 HydrophobicContact CG-CD1 4.27Å; L62-L92 HydrophobicContact CD1-CD1 4.08Å; L62-L92 HydrophobicContact CD1-CD2 3.88Å; L62-L92 HydrophobicContact CD2-CD1 3.98Å; L62-L92 HydrophobicContact CD2-CD2 4.31Å; D88-L92 PolarHBondContact O-N 3.5Å; M89-L92 HydrophobicContact CE-CD2 4.33Å; M89-L92 HydrophobicContact SD-CD2 4.29Å; L92-S94 VanDerWaalsContact C-N 3.33Å; L92-S94 PolarHBondContact O-N 2.71Å; L92-V95 PolarHBondContact O-N 3.21Å; L92-L96 WeakPolarHBondContact O-CB 3.25Å; L92-L96 PolarHBondContact O-N 2.9Å; L92-L120 HydrophobicContact CD2-CD2 3.51Å
93A94.1Very high90.7Very high29 Ų2952.5 Ų52.524%0.2430%0.296CS..Hα-helixtrans-62.2-40.4178.900000111.9M89 F90 R91 L96 D97M89-A93 VanDerWaalsContact O-CB 3.31Å; M89-A93 WeakPolarHBondContact O-CB 3.44Å; M89-A93 PolarHBondContact O-N 3.42Å; F90-A93 PolarHBondContact O-N 3.22Å; R91-A93 PolarHBondContact O-N 2.87Å; A93-L96 PolarHBondContact O-N 3Å; A93-D97 WeakPolarHBondContact O-CB 3.36Å; A93-D97 PolarHBondContact O-N 3.06Å
94S93.8Very high88.8Confident56 Ų5655.5 Ų55.539%0.39233%0.328SS..Hα-helixtrans-63.2-44.7176.6-177.90000112.5F90 R91 L92 L96 S98F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.15Å; R91-S94 PolarHBondContact O-N 3.09Å; L92-S94 VanDerWaalsContact C-N 3.33Å; L92-S94 PolarHBondContact O-N 2.71Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.92Å; S94-S98 WeakPolarHBondContact O-CB 3.48Å; S94-S98 PolarHBondContact O-N 2.85Å; S94-S98 PolarHBondContact O-OG 2.87Å
95V94.7Very high87.2Confident2 Ų255.6 Ų55.61%0.01233%0.334CS..Hα-helixtrans-62.2-43.9175.1172.20000110.4R91 L92 S98 R99R91-V95 WeakPolarHBondContact O-CG2 3.08Å; R91-V95 PolarHBondContact O-N 2.94Å; L92-V95 PolarHBondContact O-N 3.21Å; V95-S98 PolarHBondContact O-N 2.93Å; V95-R99 WeakPolarHBondContact O-CG 3.35Å; V95-R99 PolarHBondContact O-N 2.78Å; V95-R99 VanDerWaalsContact O-N 3.13Å
96L93.5Very high84.9Confident0 Ų054.6 Ų54.60%035%0.353CS..Hα-helixtrans-65.3-45.8-178.9-173.560.4000112.3C63 V66 L67 L92 A93 S94 R99 L100 L113 C116 L117C63-L96 HydrophobicContact CB-CD1 4.22Å; V66-L96 HydrophobicContact CG2-CD1 3.97Å; V66-L96 HydrophobicContact CG2-CD2 4.36Å; L67-L96 HydrophobicContact CD1-CD1 4.43Å; L67-L96 HydrophobicContact CD2-CD1 3.57Å; L67-L96 HydrophobicContact CG-CD1 3.7Å; L92-L96 WeakPolarHBondContact O-CB 3.25Å; L92-L96 PolarHBondContact O-N 2.9Å; A93-L96 PolarHBondContact O-N 3Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.92Å; L96-R99 PolarHBondContact O-N 3.15Å; L96-L100 PolarHBondContact O-N 2.92Å; L96-L100 VanDerWaalsContact O-N 3.08Å; L96-L113 HydrophobicContact CB-CD1 4.09Å; L96-L113 HydrophobicContact CD2-CD1 3.57Å; L96-L113 HydrophobicContact CG-CD1 3.7Å; L96-C116 HydrophobicContact CD1-CB 4.33Å; L96-C116 HydrophobicContact CD2-CB 3.74Å; L96-C116 HydrophobicContact CG-CB 4.4Å; L96-L117 HydrophobicContact CD2-CD2 3.9Å; L96-L117 HydrophobicContact CD2-CG 4.09Å
97D91.9Very high83.2Confident43 Ų4354.6 Ų54.623%0.2336%0.36CS..Hα-helixtrans-62.5-44.5176.3-177.267.5000111.5A93 R99 L100 N101 S108 L113A93-D97 WeakPolarHBondContact O-CB 3.36Å; A93-D97 PolarHBondContact O-N 3.06Å; D97-R99 PolarHBondContact O-N 2.96Å; D97-L100 PolarHBondContact O-N 2.87Å; D97-L100 VanDerWaalsContact O-N 3.17Å; D97-N101 PolarHBondContact O-N 3.05Å; D97-N101 PolarHBondContact O-ND2 3.1Å; D97-N101 PolarHBondContact OD1-ND2 3.34Å; D97-N101 PolarHBondContact OD2-ND2 3.44Å; D97-S108 PolarHBondContact OD1-OG 3.37Å; D97-S108 VanDerWaalsContact OD1-OG 3.05Å; D97-L113 HydrophobicContact CB-CD2 4.49Å
98S91.3Very high81.5Confident41 Ų4157 Ų5729%0.28738%0.378SS..Hα-helixtrans-56.5-37.8175.2-63.40000112.5S94 V95 A102S94-S98 WeakPolarHBondContact O-CB 3.48Å; S94-S98 PolarHBondContact O-N 2.85Å; S94-S98 PolarHBondContact O-OG 2.87Å; V95-S98 PolarHBondContact O-N 2.93Å; S98-A102 PolarHBondContact O-N 3Å; S98-A102 VanDerWaalsContact O-N 3.12Å
99R89.4Confident80.6Confident58 Ų5858 Ų5822%0.21938%0.383CS..Hα-helixtrans-75.2-34180-66.9-70.1-106.6-124-13113H60 L67 V95 L96 D97 V285H60-R99 PolarHBondContact CE1-NH2 3.31Å; H60-R99 PolarHBondContact ND1-NH2 3Å; L67-R99 HydrophobicContact CD1-CB 3.98Å; V95-R99 WeakPolarHBondContact O-CG 3.35Å; V95-R99 PolarHBondContact O-N 2.78Å; V95-R99 VanDerWaalsContact O-N 3.13Å; L96-R99 PolarHBondContact O-N 3.15Å; D97-R99 PolarHBondContact O-N 2.96Å; R99-V285 PolarHBondContact NH1-O 2.92Å; R99-V285 VanDerWaalsContact NH1-O 3.15Å
100L89Confident80.1Confident17 Ų1758.1 Ų58.19%0.08939%0.386CS..Hα-helixtrans-64.2-43.9171.9-72.5169.1000110.8L67 A71 L96 D97 A102 G103 V112 L113L67-L100 HydrophobicContact CD2-CD2 3.4Å; L67-L100 HydrophobicContact CD2-CG 3.69Å; A71-L100 HydrophobicContact CB-CD2 4.41Å; L96-L100 PolarHBondContact O-N 2.92Å; L96-L100 VanDerWaalsContact O-N 3.08Å; D97-L100 PolarHBondContact O-N 2.87Å; D97-L100 VanDerWaalsContact O-N 3.17Å; L100-A102 PolarHBondContact O-N 3.22Å; L100-G103 PolarHBondContact O-N 2.8Å; L100-V112 HydrophobicContact CD1-CG1 4.14Å; L100-V112 HydrophobicContact CD2-CG1 3.71Å; L100-L113 HydrophobicContact CD1-CB 4.27Å; L100-L113 HydrophobicContact CD1-CD1 4.3Å
101N85.3Confident79.8Confident64 Ų6452.2 Ų52.234%0.34237%0.37SS..Hα-helixtrans-71.5-26.8-178.1-67.2-40.6000113.5D97 G103 G104D97-N101 PolarHBondContact O-N 3.05Å; D97-N101 PolarHBondContact O-ND2 3.1Å; D97-N101 PolarHBondContact OD1-ND2 3.34Å; D97-N101 PolarHBondContact OD2-ND2 3.44Å; N101-G103 PolarHBondContact O-N 3.2Å; N101-G104 PolarHBondContact O-N 2.99Å
102A78.6Confident79.6Confident85 Ų8552 Ų5270%0.70238%0.375SS*.THydrogen-bonded Turntrans-65.9-19.6176.300000113.8S98 L100 G104S98-A102 PolarHBondContact O-N 3Å; S98-A102 VanDerWaalsContact O-N 3.12Å; L100-A102 PolarHBondContact O-N 3.22Å; A102-G104 VanDerWaalsContact C-N 3.3Å; A102-G104 PolarHBondContact O-N 3.38Å
103G64.9Low79.4Confident63 Ų6353.2 Ų53.265%0.64938%0.381SS*.THydrogen-bonded Turntrans-80.72.6-179.200000115.6L100 N101 S105L100-G103 PolarHBondContact O-N 2.8Å; N101-G103 PolarHBondContact O-N 3.2Å; G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 3.05Å
104G56.5Low79.3Confident68 Ų6859.2 Ų59.270%0.70140%0.397SS*.THydrogen-bonded Turntrans81.23.817700000115.4N101 A102 A106N101-G104 PolarHBondContact O-N 2.99Å; A102-G104 VanDerWaalsContact C-N 3.3Å; A102-G104 PolarHBondContact O-N 3.38Å; G104-A106 PolarHBondContact O-N 3.4Å
105S54.2Low79.4Confident71 Ų7158.8 Ų58.850%0.49739%0.394SS..  trans-74.393.6164.359.60000108.5G103 G107G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 3.05Å; S105-G107 VanDerWaalsContact C-N 3.32Å; S105-G107 PolarHBondContact O-N 3.44Å
106A44.4Very low79.4Confident113 Ų11358.7 Ų58.793%0.93439%0.394SS*.  trans-65.492.6174.100000109.5G104G104-A106 PolarHBondContact O-N 3.4Å
107G53.3Low79.5Confident45 Ų4561.2 Ų61.246%0.46441%0.407SS..SBendtrans149.7111.8178.200000109.2S105 D109S105-G107 VanDerWaalsContact C-N 3.32Å; S105-G107 PolarHBondContact O-N 3.44Å; G107-D109 PolarHBondContact O-N 3.12Å
108S59.3Low79.7Confident63 Ų6363 Ų6344%0.44142%0.423SS..  trans-60.591.7163.5179.50000106.5D97 D110D97-S108 PolarHBondContact OD1-OG 3.37Å; D97-S108 VanDerWaalsContact OD1-OG 3.05Å; S108-D110 PolarHBondContact O-N 3.01Å
109D75.6Confident80Confident96 Ų9662.2 Ų62.251%0.51341%0.413SS..  trans-77.787.9174.1-161-4.6000105.6G107 A111 V112 L113G107-D109 PolarHBondContact O-N 3.12Å; D109-A111 CarbonylContact O-C 3.55Å; D109-A111 PolarHBondContact O-N 3.35Å; D109-A111 WeakPolarHBondContact OD1-CB 3.45Å; D109-V112 HydrophobicContact CB-CB 4.17Å; D109-V112 HydrophobicContact CB-CG2 3.74Å; D109-V112 WeakPolarHBondContact O-CA 3.33Å; D109-V112 WeakPolarHBondContact O-CB 3.37Å; D109-V112 PolarHBondContact O-N 3.17Å; D109-L113 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-N 3.09Å
110D85.4Confident80.4Confident77 Ų7760.5 Ų60.541%0.41241%0.408SS..Hα-helixtrans-42.3-31.8174.7-121.724.1000111.6S108 R114S108-D110 PolarHBondContact O-N 3.01Å; D110-R114 WeakPolarHBondContact O-CB 3.41Å; D110-R114 VanDerWaalsContact O-CG 3.23Å; D110-R114 WeakPolarHBondContact O-CG 3.4Å; D110-R114 PolarHBondContact O-N 2.68Å; D110-R114 IonicContact OD2-CZ 3.76Å; D110-R114 IonicContact OD2-NH1 3.85Å; D110-R114 IonicContact OD2-NH2 3.61Å; D110-R114 PolarHBondContact OD2-NH2 3.02Å
111A89.6Confident80.8Confident57 Ų5762.1 Ų62.147%0.47142%0.417SS..Hα-helixtrans-66.4-42.6173.200000113.1D109 S115D109-A111 CarbonylContact O-C 3.55Å; D109-A111 PolarHBondContact O-N 3.35Å; D109-A111 WeakPolarHBondContact OD1-CB 3.45Å; A111-S115 VanDerWaalsContact O-CB 3.29Å; A111-S115 WeakPolarHBondContact O-CB 3.23Å; A111-S115 PolarHBondContact O-N 3.2Å
112V90.7Very high81.4Confident45 Ų4561.3 Ų61.327%0.27341%0.414SS..Hα-helixtrans-66.1-43.3175.1179.20000110.7P68 L100 D109 S115 C116P68-V112 HydrophobicContact CG-CG1 4.01Å; L100-V112 HydrophobicContact CD1-CG1 4.14Å; L100-V112 HydrophobicContact CD2-CG1 3.71Å; D109-V112 HydrophobicContact CB-CB 4.17Å; D109-V112 HydrophobicContact CB-CG2 3.74Å; D109-V112 WeakPolarHBondContact O-CA 3.33Å; D109-V112 WeakPolarHBondContact O-CB 3.37Å; D109-V112 PolarHBondContact O-N 3.17Å; V112-S115 WeakPolarHBondContact O-CB 2.96Å; V112-S115 PolarHBondContact O-N 3.06Å; V112-C116 PolarHBondContact O-N 2.62Å; V112-C116 PolarHBondContact O-SG 3.08Å
113L91.9Very high82.3Confident25 Ų2558.7 Ų58.713%0.13139%0.39CS..Hα-helixtrans-60.4-47.8175.8-179.661.3000111.3L96 D97 L100 D109 S115 C116 L117L96-L113 HydrophobicContact CB-CD1 4.09Å; L96-L113 HydrophobicContact CD2-CD1 3.57Å; L96-L113 HydrophobicContact CG-CD1 3.7Å; D97-L113 HydrophobicContact CB-CD2 4.49Å; L100-L113 HydrophobicContact CD1-CB 4.27Å; L100-L113 HydrophobicContact CD1-CD1 4.3Å; D109-L113 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-N 3.09Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 2.9Å; L113-C116 WeakPolarHBondContact O-CB 3.43Å; L113-C116 PolarHBondContact O-N 2.69Å; L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CG-CD1 4.25Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 2.87Å
114R93Very high83.9Confident154 Ų15461.7 Ų61.758%0.58138%0.381SS*.Hα-helixtrans-59.9-40.9174.5-74178-168.1110.513112.1D110 C116 L117 S118D110-R114 WeakPolarHBondContact O-CB 3.41Å; D110-R114 VanDerWaalsContact O-CG 3.23Å; D110-R114 WeakPolarHBondContact O-CG 3.4Å; D110-R114 PolarHBondContact O-N 2.68Å; D110-R114 IonicContact OD2-CZ 3.76Å; D110-R114 IonicContact OD2-NH1 3.85Å; D110-R114 IonicContact OD2-NH2 3.61Å; D110-R114 PolarHBondContact OD2-NH2 3.02Å; R114-C116 PolarHBondContact O-N 3.01Å; R114-L117 PolarHBondContact O-N 3.1Å; R114-S118 WeakPolarHBondContact O-CB 3.13Å; R114-S118 PolarHBondContact O-N 2.91Å
115S94.4Very high85.8Confident48 Ų4858.4 Ų58.434%0.33635%0.348SS..Hα-helixtrans-60-44.6175.5-179.10000111.4A111 V112 L113 S118 R119A111-S115 VanDerWaalsContact O-CB 3.29Å; A111-S115 WeakPolarHBondContact O-CB 3.23Å; A111-S115 PolarHBondContact O-N 3.2Å; V112-S115 WeakPolarHBondContact O-CB 2.96Å; V112-S115 PolarHBondContact O-N 3.06Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 2.9Å; S115-S118 PolarHBondContact O-N 3.29Å; S115-S118 PolarHBondContact O-OG 3.05Å; S115-R119 PolarHBondContact OG-NH2 3.24Å
116C95.7Very high87.9Confident0 Ų058.3 Ų58.30%035%0.347CS..Hα-helixtrans-62.6-47.4175.2-61.90000112.3V66 L96 V112 L113 R114 S118 R119V66-C116 HydrophobicContact CB-CB 4.49Å; V66-C116 HydrophobicContact CG2-CB 4.19Å; L96-C116 HydrophobicContact CD1-CB 4.33Å; L96-C116 HydrophobicContact CD2-CB 3.74Å; L96-C116 HydrophobicContact CG-CB 4.4Å; V112-C116 PolarHBondContact O-N 2.62Å; V112-C116 PolarHBondContact O-SG 3.08Å; L113-C116 WeakPolarHBondContact O-CB 3.43Å; L113-C116 PolarHBondContact O-N 2.69Å; R114-C116 PolarHBondContact O-N 3.01Å; C116-S118 VanDerWaalsContact C-N 3.25Å; C116-S118 PolarHBondContact O-N 2.96Å; C116-R119 WeakPolarHBondContact O-CB 3.35Å; C116-R119 PolarHBondContact O-N 2.92Å; C116-R119 VanDerWaalsContact O-N 3.15Å
117L95.8Very high90.4Very high53 Ų5354.7 Ų54.728%0.27732%0.315SS..Hα-helixtrans-65.4-28178.6-68.4172.8000112.7L96 L113 R114 R119 L120L96-L117 HydrophobicContact CD2-CD2 3.9Å; L96-L117 HydrophobicContact CD2-CG 4.09Å; L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CG-CD1 4.25Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 2.87Å; R114-L117 PolarHBondContact O-N 3.1Å; L117-R119 PolarHBondContact O-N 3.5Å; L117-L120 WeakPolarHBondContact O-CB 3.44Å; L117-L120 PolarHBondContact O-N 3.28Å
118S96.4Very high92.4Very high80 Ų8052.8 Ų52.856%0.55930%0.295SS*.Hα-helixtrans-66-17.9175.979.10000114.1R114 S115 C116 L120R114-S118 WeakPolarHBondContact O-CB 3.13Å; R114-S118 PolarHBondContact O-N 2.91Å; S115-S118 PolarHBondContact O-N 3.29Å; S115-S118 PolarHBondContact O-OG 3.05Å; C116-S118 VanDerWaalsContact C-N 3.25Å; C116-S118 PolarHBondContact O-N 2.96Å; S118-L120 VanDerWaalsContact C-N 3.33Å
119R97.1Very high94.2Very high24 Ų2452.2 Ų52.29%0.09129%0.29CS..THydrogen-bonded Turntrans-83.8-7.6174.5-60.4-177.2-172.295.710.8112.8V66 D77 V78 S115 C116 L117V66-R119 HydrophobicContact CB-CB 4.27Å; V66-R119 HydrophobicContact CG1-CB 4.03Å; V66-R119 PolarHBondContact O-NH1 3.02Å; D77-R119 CarbonylContact C-O 3.58Å; D77-R119 VanDerWaalsContact CA-O 3.25Å; D77-R119 WeakPolarHBondContact CA-O 3.33Å; V78-R119 PolarHBondContact N-O 2.83Å; S115-R119 PolarHBondContact OG-NH2 3.24Å; C116-R119 WeakPolarHBondContact O-CB 3.35Å; C116-R119 PolarHBondContact O-N 2.92Å; C116-R119 VanDerWaalsContact O-N 3.15Å; L117-R119 PolarHBondContact O-N 3.5Å
120L98Very high95.3Very high22 Ų2251.5 Ų51.512%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-99.2122.8179.8177.962.8000111L62 V78 F80 M89 L92 L117 S118 V122L62-L120 HydrophobicContact CD1-CD1 3.77Å; L62-L120 HydrophobicContact CD1-CD2 4.12Å; L62-L120 HydrophobicContact CD2-CD1 4.48Å; L62-L120 HydrophobicContact CD2-CD2 4.48Å; L62-L120 HydrophobicContact CG-CD1 4.23Å; V78-L120 HydrophobicContact CB-CD1 4.22Å; V78-L120 HydrophobicContact CG1-CD1 4.29Å; V78-L120 WeakPolarHBondContact O-CA 3.23Å; F80-L120 HydrophobicContact CB-CD1 3.99Å; M89-L120 HydrophobicContact CE-CD2 4.29Å; L92-L120 HydrophobicContact CD2-CD2 3.51Å; L117-L120 WeakPolarHBondContact O-CB 3.44Å; L117-L120 PolarHBondContact O-N 3.28Å; S118-L120 VanDerWaalsContact C-N 3.33Å; L120-V122 HydrophobicContact CD1-CG2 4.24Å; L120-V122 HydrophobicContact CD2-CG2 3.83Å; L120-V122 HydrophobicContact CG-CG2 3.79Å
121L97.7Very high95.9Very high51 Ų5148 Ų4827%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-105.7116.4166.6176.163.1000109.4V78 V79 F80 V123 T141V78-L121 PolarHBondContact O-N 3.26Å; V79-L121 CarbonylContact C-O 3.56Å; V79-L121 WeakPolarHBondContact CA-O 3.41Å; V79-L121 HydrophobicContact CG1-CD2 4.47Å; V79-L121 HydrophobicContact CG2-CB 4.44Å; V79-L121 HydrophobicContact CG2-CD2 4.33Å; F80-L121 PolarHBondContact N-O 2.51Å; L121-V123 HydrophobicContact CG-CG2 4.3Å; L121-T141 HydrophobicContact CD2-CG2 3.68Å
122V97.6Very high96.3Very high47 Ų4746.7 Ų46.729%0.28525%0.25SS..EExtended strand (participates in β ladder)trans-101.8130.2176.1-179.40000110F80 L87 M89 L120F80-V122 CarbonylContact O-C 3.59Å; F80-V122 WeakPolarHBondContact O-CA 3.49Å; L87-V122 HydrophobicContact CD2-CB 4.23Å; L87-V122 HydrophobicContact CD2-CG1 3.39Å; L87-V122 HydrophobicContact CD2-CG2 3.73Å; M89-V122 HydrophobicContact SD-CG2 4.25Å; L120-V122 HydrophobicContact CD1-CG2 4.24Å; L120-V122 HydrophobicContact CD2-CG2 3.83Å; L120-V122 HydrophobicContact CG-CG2 3.79Å
123V97.7Very high96.6Very high31 Ų3150.3 Ų50.319%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-126.5130.5172-171.60000108.9F80 V81 D82 L121 T134F80-V123 PolarHBondContact O-N 3.31Å; V81-V123 CarbonylContact C-O 3.54Å; V81-V123 WeakPolarHBondContact CA-O 3.47Å; D82-V123 PolarHBondContact N-O 3.18Å; L121-V123 HydrophobicContact CG-CG2 4.3Å; V123-T134 HydrophobicContact CB-CG2 4.19Å; V123-T134 HydrophobicContact CG1-CG2 3.69Å; V123-T134 HydrophobicContact CG2-CG2 4.46Å
124R97.4Very high96.9Very high125 Ų12550.1 Ų50.147%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-102.9132.9175.8-58.3-159.9-179.8100.2-3.1110.8D82 Y85D82-R124 HydrophobicContact CB-CG 4.21Å; D82-R124 CarbonylContact O-C 3.56Å; D82-R124 VanDerWaalsContact O-CA 3.26Å; D82-R124 WeakPolarHBondContact O-CA 3.23Å; D82-R124 IonicContact OD2-NE 2.87Å; Y85-R124 HydrophobicContact CE1-CB 4.08Å; Y85-R124 VanDerWaalsContact CE1-CD 3.47Å; Y85-R124 HydrophobicContact CE1-CG 4.41Å
125C97.9Very high97Very high0 Ų042.8 Ų42.80%024%0.239CC..  trans-119.8131.7176.2-62.10000109.5D82 T83 Q130 L131 T134 F159D82-C125 PolarHBondContact O-N 3.29Å; T83-C125 WeakPolarHBondContact CA-O 3.4Å; T83-C125 HydrophobicContact CG2-CB 4.28Å; C125-Q130 HydrophobicContact CB-CB 4.22Å; C125-L131 HydrophobicContact CB-CB 4.32Å; C125-T134 PolarHBondContact SG-OG1 3.24Å; C125-T134 VanDerWaalsContact SG-OG1 3.38Å; C125-F159 HydrophobicContact CB-CZ 4.32Å; C125-F159 WeakPolarHBondContact O-CZ 3.33Å
126S96.7Very high97.1Very high68 Ų6844.6 Ų44.648%0.47624%0.242SC..SBendtrans-103.1-0.8176.164.90000113.8Q130 F159S126-Q130 PolarHBondContact OG-OE1 2.75Å; S126-F159 WeakPolarHBondContact O-CE1 3.37Å
127S97.1Very high97Very high37 Ų3750.3 Ų50.326%0.25927%0.268SS..SBendtrans-154161.3175.861.40000112S129 Q130 L131 F159S127-S129 PolarHBondContact O-N 3.43Å; S127-Q130 PolarHBondContact O-N 3.01Å; S127-Q130 VanDerWaalsContact O-N 3.11Å; S127-Q130 PolarHBondContact OG-N 3.05Å; S127-L131 PolarHBondContact O-N 3.31Å; S127-F159 VanDerWaalsContact C-CD2 3.48Å; S127-F159 VanDerWaalsContact C-CZ 3.45Å; S127-F159 VanDerWaalsContact N-CE1 3.34Å; S127-F159 VanDerWaalsContact N-CZ 3.31Å; S127-F159 WeakPolarHBondContact O-CE2 3.39Å
128S96.5Very high97Very high6 Ų647.9 Ų47.94%0.04226%0.255CS..Hα-helixtrans-59.3-33.3172.750.90000112.6L131 L132 F159 D163 K177S128-L131 PolarHBondContact O-N 2.66Å; S128-L132 WeakPolarHBondContact O-CB 3.19Å; S128-L132 PolarHBondContact O-N 3.17Å; S128-F159 VanDerWaalsContact CA-CD2 3.44Å; S128-F159 VanDerWaalsContact N-CG 3.3Å; S128-D163 VanDerWaalsContact CB-OD1 3.3Å; S128-D163 WeakPolarHBondContact CB-OD1 3.47Å; S128-D163 WeakPolarHBondContact CB-OD2 3.47Å; S128-D163 VanDerWaalsContact OG-CG 3.3Å; S128-D163 PolarHBondContact OG-OD1 3.32Å; S128-D163 PolarHBondContact OG-OD2 3.32Å; S128-K177 WeakPolarHBondContact OG-CD 3.5Å
129S96.8Very high96.7Very high50 Ų5047.3 Ų47.335%0.3524%0.243SC..Hα-helixtrans-65.2-43.6173.1-58.50000112.1S127 L132 L133 K177S127-S129 PolarHBondContact O-N 3.43Å; S129-L132 PolarHBondContact O-N 3.38Å; S129-L133 WeakPolarHBondContact O-CG 3.32Å; S129-L133 PolarHBondContact O-N 2.9Å; S129-K177 PolarHBondContact OG-NZ 2.83Å
130Q97.8Very high96.5Very high82 Ų8250.1 Ų50.138%0.38326%0.263SS..Hα-helixtrans-66.7-38.1174.9-77.9-172.7-8.700112.1C125 S126 S127 L133 T134C125-Q130 HydrophobicContact CB-CB 4.22Å; S126-Q130 PolarHBondContact OG-OE1 2.75Å; S127-Q130 PolarHBondContact O-N 3.01Å; S127-Q130 VanDerWaalsContact O-N 3.11Å; S127-Q130 PolarHBondContact OG-N 3.05Å; Q130-L133 PolarHBondContact O-N 3.36Å; Q130-T134 WeakPolarHBondContact O-CB 3.3Å; Q130-T134 PolarHBondContact O-N 2.84Å; Q130-T134 PolarHBondContact O-OG1 2.97Å
131L98Very high96.2Very high4 Ų449.5 Ų49.52%0.02126%0.261CS..Hα-helixtrans-59.4-48.9172.9177.661000110.6V81 C125 S127 S128 L133 T134 L135 I156 F159V81-L131 HydrophobicContact CG1-CD1 3.7Å; C125-L131 HydrophobicContact CB-CB 4.32Å; S127-L131 PolarHBondContact O-N 3.31Å; S128-L131 PolarHBondContact O-N 2.66Å; L131-L133 PolarHBondContact O-N 2.78Å; L131-T134 WeakPolarHBondContact O-CB 3.5Å; L131-T134 PolarHBondContact O-N 3.34Å; L131-T134 VanDerWaalsContact O-N 3.13Å; L131-L135 HydrophobicContact CD1-CD2 4.46Å; L131-L135 HydrophobicContact CD1-CG 4.29Å; L131-L135 HydrophobicContact CG-CD1 4.49Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 3.49Å; L131-I156 HydrophobicContact CD2-CD1 4.38Å; L131-F159 HydrophobicContact CB-CE2 4.18Å; L131-F159 HydrophobicContact CD2-CD2 4.5Å; L131-F159 HydrophobicContact CD2-CE2 4.38Å
132L97.4Very high96Very high28 Ų2847.3 Ų47.315%0.14725%0.249CC..Hα-helixtrans-58.2-45.5178.5-178.759.8000112.3S128 S129 T134 L135 H136 R180 L184S128-L132 WeakPolarHBondContact O-CB 3.19Å; S128-L132 PolarHBondContact O-N 3.17Å; S129-L132 PolarHBondContact O-N 3.38Å; L132-T134 VanDerWaalsContact C-N 3.34Å; L132-L135 PolarHBondContact O-N 3.42Å; L132-H136 PolarHBondContact O-CD2 2.78Å; L132-H136 VanDerWaalsContact O-CD2 3.32Å; L132-H136 PolarHBondContact O-N 2.85Å; L132-R180 HydrophobicContact CD1-CB 3.9Å; L132-R180 HydrophobicContact CD2-CB 4.15Å; L132-L184 HydrophobicContact CD1-CD2 4.25Å
133L97.3Very high95.6Very high122 Ų12245.6 Ų45.664%0.63924%0.239SC*.Hα-helixtrans-63-41.1175.6-70.6171000112S129 Q130 L131 L135 H136 F137S129-L133 WeakPolarHBondContact O-CG 3.32Å; S129-L133 PolarHBondContact O-N 2.9Å; Q130-L133 PolarHBondContact O-N 3.36Å; L131-L133 PolarHBondContact O-N 2.78Å; L133-L135 VanDerWaalsContact C-N 3.35Å; L133-L135 PolarHBondContact O-N 2.9Å; L133-H136 WeakPolarHBondContact O-CB 3.38Å; L133-H136 PolarHBondContact O-N 3.23Å; L133-F137 PolarHBondContact O-N 2.88Å
134T97.8Very high95.3Very high20 Ų2048.2 Ų48.212%0.12326%0.259CS..Hα-helixtrans-59.9-46.1176.3-64.30000110.7V81 V123 C125 Q130 L131 L132 H136 F137 L138V81-T134 HydrophobicContact CG2-CG2 4.39Å; V123-T134 HydrophobicContact CB-CG2 4.19Å; V123-T134 HydrophobicContact CG1-CG2 3.69Å; V123-T134 HydrophobicContact CG2-CG2 4.46Å; C125-T134 PolarHBondContact SG-OG1 3.24Å; C125-T134 VanDerWaalsContact SG-OG1 3.38Å; Q130-T134 WeakPolarHBondContact O-CB 3.3Å; Q130-T134 PolarHBondContact O-N 2.84Å; Q130-T134 PolarHBondContact O-OG1 2.97Å; L131-T134 WeakPolarHBondContact O-CB 3.5Å; L131-T134 PolarHBondContact O-N 3.34Å; L131-T134 VanDerWaalsContact O-N 3.13Å; L132-T134 VanDerWaalsContact C-N 3.34Å; T134-H136 VanDerWaalsContact C-N 3.26Å; T134-H136 PolarHBondContact O-N 2.78Å; T134-F137 CarbonylContact O-C 3.58Å; T134-F137 WeakPolarHBondContact O-CA 3.31Å; T134-F137 WeakPolarHBondContact O-CB 3.33Å; T134-F137 PolarHBondContact O-N 3.32Å; T134-L138 HydrophobicContact CG2-CG 4.39Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.05Å
135L97.1Very high95Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-61.6-33.9177.7-66.1-177.7000112.5L131 L132 L133 L138 C181 L184 L185L131-L135 HydrophobicContact CD1-CD2 4.46Å; L131-L135 HydrophobicContact CD1-CG 4.29Å; L131-L135 HydrophobicContact CG-CD1 4.49Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 3.49Å; L132-L135 PolarHBondContact O-N 3.42Å; L133-L135 VanDerWaalsContact C-N 3.35Å; L133-L135 PolarHBondContact O-N 2.9Å; L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-C181 HydrophobicContact CD1-CB 3.78Å; L135-L184 HydrophobicContact CB-CD2 3.44Å; L135-L184 VanDerWaalsContact CB-CD2 3.44Å; L135-L184 HydrophobicContact CB-CG 3.91Å; L135-L185 HydrophobicContact CD1-CD1 4.49Å; L135-L185 HydrophobicContact CD1-CD2 3.9Å; L135-L185 HydrophobicContact CD1-CG 3.87Å; L135-L185 HydrophobicContact CD2-CD2 3.48Å; L135-L185 VanDerWaalsContact CD2-CD2 3.48Å; L135-L185 HydrophobicContact CD2-CG 4.38Å; L135-L185 HydrophobicContact CG-CD2 4.29Å
136H95.5Very high94.5Very high86 Ų8648.6 Ų48.640%0.39827%0.267SS..Hα-helixtrans-66.7-42.2172.7-85.4-69.9000111.4L132 L133 T134 L138 E139 L184L132-H136 PolarHBondContact O-CD2 2.78Å; L132-H136 VanDerWaalsContact O-CD2 3.32Å; L132-H136 PolarHBondContact O-N 2.85Å; L133-H136 WeakPolarHBondContact O-CB 3.38Å; L133-H136 PolarHBondContact O-N 3.23Å; T134-H136 VanDerWaalsContact C-N 3.26Å; T134-H136 PolarHBondContact O-N 2.78Å; H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact O-N 2.94Å; H136-E139 WeakPolarHBondContact O-CB 3.24Å; H136-E139 PolarHBondContact O-N 2.92Å; H136-L184 HydrophobicContact CB-CD2 4.37Å
137F94.3Very high94.3Very high121 Ų12151.1 Ų51.153%0.53127%0.266SS..Hα-helixtrans-65.5-31.5174.9176.6-102.6000112.9L133 T134 E139 T140 T141L133-F137 PolarHBondContact O-N 2.88Å; T134-F137 CarbonylContact O-C 3.58Å; T134-F137 WeakPolarHBondContact O-CA 3.31Å; T134-F137 WeakPolarHBondContact O-CB 3.33Å; T134-F137 PolarHBondContact O-N 3.32Å; F137-E139 PolarHBondContact O-N 2.93Å; F137-T140 PolarHBondContact O-N 2.82Å; F137-T140 VanDerWaalsContact O-N 3.15Å; F137-T141 WeakPolarHBondContact CE1-OG1 3.34Å; F137-T141 PolarHBondContact O-N 3.05Å; F137-T141 VanDerWaalsContact O-N 3.1Å; F137-T141 PolarHBondContact O-OG1 3.43Å
138L94.4Very high94.2Very high2 Ų249.4 Ų49.41%0.0125%0.254CS..Hα-helixtrans-61.3-29.6177.6-71.8-172.2000112.7V79 T134 L135 H136 T140 T141 L142 L151 L188V79-L138 HydrophobicContact CG1-CD1 4.35Å; V79-L138 HydrophobicContact CG1-CD2 3.74Å; T134-L138 HydrophobicContact CG2-CG 4.39Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.05Å; L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 PolarHBondContact O-N 3.43Å; H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact O-N 2.94Å; L138-T140 VanDerWaalsContact C-N 3.3Å; L138-T140 PolarHBondContact O-N 3.39Å; L138-T141 PolarHBondContact O-N 3.27Å; L138-T141 VanDerWaalsContact O-N 3.15Å; L138-L142 WeakPolarHBondContact O-CB 3.32Å; L138-L142 VanDerWaalsContact O-CG 3.22Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.25Å; L138-L151 HydrophobicContact CD1-CD1 3.89Å; L138-L151 HydrophobicContact CD1-CD2 3.98Å; L138-L188 HydrophobicContact CB-CD1 4.23Å
139E91.3Very high94.2Very high67 Ų6749.2 Ų49.231%0.31325%0.252SS..Hα-helixtrans-55.7-46.8174.3-172.5171.3-176.800111.7H136 F137 S143 L188 Y192H136-E139 WeakPolarHBondContact O-CB 3.24Å; H136-E139 PolarHBondContact O-N 2.92Å; F137-E139 PolarHBondContact O-N 2.93Å; E139-S143 WeakPolarHBondContact O-CB 3.45Å; E139-S143 PolarHBondContact O-N 3.49Å; E139-S143 VanDerWaalsContact O-N 3.15Å; E139-S143 PolarHBondContact O-OG 3.13Å; E139-L188 HydrophobicContact CB-CD2 4Å; E139-L188 HydrophobicContact CG-CD2 4.43Å; E139-Y192 HydrophobicContact CG-CE2 3.89Å; E139-Y192 WeakPolarHBondContact CG-OH 3.46Å; E139-Y192 PolarHBondContact O-OH 2.88Å
140T91.5Very high94.2Very high84 Ų8446.9 Ų46.952%0.51524%0.236SC..Hα-helixtrans-68.3-40.7176.5-57.20000111.1F137 L138 S143 S144F137-T140 PolarHBondContact O-N 2.82Å; F137-T140 VanDerWaalsContact O-N 3.15Å; L138-T140 VanDerWaalsContact C-N 3.3Å; L138-T140 PolarHBondContact O-N 3.39Å; T140-S143 WeakPolarHBondContact O-CB 3.41Å; T140-S143 PolarHBondContact O-N 3.24Å; T140-S144 PolarHBondContact O-N 3.49Å; T140-S144 VanDerWaalsContact O-N 3.07Å; T140-S144 PolarHBondContact O-OG 2.84Å
141T92Very high94.2Very high9 Ų943.1 Ų43.16%0.05522%0.219CC..Hα-helixtrans-62.1-49.2179.8-59.10000111.3L121 F137 L138 S143 S144 R145L121-T141 HydrophobicContact CD2-CG2 3.68Å; F137-T141 WeakPolarHBondContact CE1-OG1 3.34Å; F137-T141 PolarHBondContact O-N 3.05Å; F137-T141 VanDerWaalsContact O-N 3.1Å; F137-T141 PolarHBondContact O-OG1 3.43Å; L138-T141 PolarHBondContact O-N 3.27Å; L138-T141 VanDerWaalsContact O-N 3.15Å; T141-S143 VanDerWaalsContact C-N 3.28Å; T141-S143 PolarHBondContact O-N 3.48Å; T141-S144 CarbonylContact O-C 3.58Å; T141-S144 PolarHBondContact O-N 3.21Å; T141-S144 VanDerWaalsContact O-N 3.1Å; T141-S144 PolarHBondContact O-OG 2.97Å; T141-R145 HydrophobicContact CG2-CG 4.46Å; T141-R145 WeakPolarHBondContact O-CB 3.31Å; T141-R145 WeakPolarHBondContact O-CG 3.19Å; T141-R145 PolarHBondContact O-N 3.44Å
142L93.1Very high94.3Very high4 Ų442.9 Ų42.92%0.02122%0.218CC..Hα-helixtrans-63.8-35.5179.6-68.1174.3000111.7R21 L138 S144 R145 A148 L188 Y192 I194R21-L142 PolarHBondContact NH2-O 2.84Å; L138-L142 WeakPolarHBondContact O-CB 3.32Å; L138-L142 VanDerWaalsContact O-CG 3.22Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.25Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-R145 CarbonylContact O-C 3.45Å; L142-R145 PolarHBondContact O-N 3.05Å; L142-A148 HydrophobicContact CD2-CB 3.8Å; L142-L188 HydrophobicContact CD1-CD2 4.21Å; L142-Y192 HydrophobicContact CB-CD1 3.8Å; L142-Y192 HydrophobicContact CB-CD2 4.36Å; L142-Y192 HydrophobicContact CB-CE1 4.13Å; L142-Y192 HydrophobicContact CB-CG 3.92Å; L142-Y192 HydrophobicContact CD1-CD2 3.98Å; L142-Y192 HydrophobicContact CD1-CG 4.01Å; L142-I194 HydrophobicContact CD1-CD1 3.88Å; L142-I194 HydrophobicContact CD1-CG2 4.28Å; L142-I194 HydrophobicContact CD2-CG2 3.91Å
143S90.4Very high94.3Very high12 Ų1241.6 Ų41.68%0.08421%0.211CC..Hα-helixtrans-62.3-39.3173-59.90000112.5Q13 E139 T140 T141 Y192Q13-S143 WeakPolarHBondContact CG-OG 3.33Å; E139-S143 WeakPolarHBondContact O-CB 3.45Å; E139-S143 PolarHBondContact O-N 3.49Å; E139-S143 VanDerWaalsContact O-N 3.15Å; E139-S143 PolarHBondContact O-OG 3.13Å; T140-S143 WeakPolarHBondContact O-CB 3.41Å; T140-S143 PolarHBondContact O-N 3.24Å; T141-S143 VanDerWaalsContact C-N 3.28Å; T141-S143 PolarHBondContact O-N 3.48Å; S143-Y192 WeakPolarHBondContact OG-CE1 3.47Å; S143-Y192 PolarHBondContact OG-OH 2.86Å
144S90.3Very high94.3Very high85 Ų8535.9 Ų35.959%0.59418%0.181SC*.Hα-helixtrans-84.2-12.7179.269.30000114.4T140 T141 L142T140-S144 PolarHBondContact O-N 3.49Å; T140-S144 VanDerWaalsContact O-N 3.07Å; T140-S144 PolarHBondContact O-OG 2.84Å; T141-S144 CarbonylContact O-C 3.58Å; T141-S144 PolarHBondContact O-N 3.21Å; T141-S144 VanDerWaalsContact O-N 3.1Å; T141-S144 PolarHBondContact O-OG 2.97Å; L142-S144 VanDerWaalsContact C-N 3.32Å
145R91.1Very high94.2Very high82 Ų8234.9 Ų34.931%0.30918%0.175SC..  trans-126.881.3-176.3-59-172.880.6109.7-2.4110.5R21 D77 T141 L142 R147 A148R21-R145 PolarHBondContact NH1-O 3.3Å; D77-R145 IonicContact OD2-CZ 4Å; D77-R145 VanDerWaalsContact OD2-CZ 3.29Å; D77-R145 IonicContact OD2-NE 3.87Å; D77-R145 PolarHBondContact OD2-NE 3.27Å; D77-R145 IonicContact OD2-NH2 3.56Å; D77-R145 PolarHBondContact OD2-NH2 3.32Å; T141-R145 HydrophobicContact CG2-CG 4.46Å; T141-R145 WeakPolarHBondContact O-CB 3.31Å; T141-R145 WeakPolarHBondContact O-CG 3.19Å; T141-R145 PolarHBondContact O-N 3.44Å; L142-R145 CarbonylContact O-C 3.45Å; L142-R145 PolarHBondContact O-N 3.05Å; R145-R147 PolarHBondContact O-N 2.85Å; R145-A148 HydrophobicContact CB-CB 4.03Å; R145-A148 WeakPolarHBondContact O-CB 3.43Å; R145-A148 PolarHBondContact O-N 2.93Å
146P88.4Confident94.2Very high51 Ų5135.1 Ų35.133%0.33118%0.176SC..THydrogen-bonded Turntrans-63.2-24.4-178.624.4-33.6000113.2E19 R21 A148E19-P146 VanDerWaalsContact OE2-CB 3.3Å; E19-P146 WeakPolarHBondContact OE2-CB 3.36Å; R21-P146 PolarHBondContact NH1-O 2.91Å; P146-A148 VanDerWaalsContact C-N 3.28Å; P146-A148 PolarHBondContact O-N 3.06Å
147R91.9Very high94.1Very high122 Ų12231.5 Ų31.546%0.4616%0.16SC..THydrogen-bonded Turntrans-74.7-11.2175.7-63.1-176.174.6147.32.6114.3E75 D77 R145 A149E75-R147 PolarHBondContact O-NH2 3.34Å; E75-R147 IonicContact OE1-CZ 3.93Å; E75-R147 IonicContact OE1-NH1 3.65Å; E75-R147 IonicContact OE1-NH2 2.76Å; E75-R147 PolarHBondContact OE1-NH2 3.21Å; D77-R147 HydrophobicContact CB-CB 4.31Å; D77-R147 PolarHBondContact N-O 3.02Å; R145-R147 PolarHBondContact O-N 2.85Å; R147-A149 PolarHBondContact O-N 2.83Å
148A95.1Very high94.2Very high1 Ų127.1 Ų27.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-73.294.4-178.100000111R21 D77 L142 R145 P146 I194R21-A148 VanDerWaalsContact CD-O 3.26Å; R21-A148 WeakPolarHBondContact CD-O 3.44Å; R21-A148 PolarHBondContact NH1-O 2.87Å; D77-A148 HydrophobicContact CB-CB 3.98Å; D77-A148 WeakPolarHBondContact O-CA 3.5Å; L142-A148 HydrophobicContact CD2-CB 3.8Å; R145-A148 HydrophobicContact CB-CB 4.03Å; R145-A148 WeakPolarHBondContact O-CB 3.43Å; R145-A148 PolarHBondContact O-N 2.93Å; P146-A148 VanDerWaalsContact C-N 3.28Å; P146-A148 PolarHBondContact O-N 3.06Å; A148-I194 WeakPolarHBondContact O-CG2 3.04Å
149A95.8Very high94.3Very high1 Ų128 Ų281%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-101.2-21.1-173.600000113.2R21 R22 L24 V76 D77 R147 T195R21-A149 HydrophobicContact CB-CB 4.49Å; R22-A149 HydrophobicContact CB-CB 4.43Å; L24-A149 HydrophobicContact CD2-CB 4.43Å; V76-A149 HydrophobicContact CB-CB 4.09Å; V76-A149 HydrophobicContact CG1-CB 4.13Å; V76-A149 HydrophobicContact CG2-CB 4.34Å; D77-A149 PolarHBondContact O-N 3.15Å; D77-A149 VanDerWaalsContact O-N 3.12Å; R147-A149 PolarHBondContact O-N 2.83Å; A149-T195 PolarHBondContact O-N 2.87Å
150L97.7Very high94.4Very high2 Ų225.5 Ų25.51%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-122130.1-174.5-178.260.5000111.5L24 C65 V78 V79 L152 T195 F197L24-L150 HydrophobicContact CD1-CB 3.79Å; L24-L150 HydrophobicContact CD1-CD1 3.94Å; L24-L150 HydrophobicContact CD1-CG 4.31Å; C65-L150 HydrophobicContact CB-CD2 4.25Å; C65-L150 VanDerWaalsContact SG-CD2 3.52Å; V78-L150 WeakPolarHBondContact CA-O 3.3Å; V78-L150 HydrophobicContact CG1-CB 4.25Å; V78-L150 HydrophobicContact CG1-CD2 3.99Å; V78-L150 HydrophobicContact CG1-CG 4.1Å; V78-L150 HydrophobicContact CG2-CB 4.2Å; V78-L150 HydrophobicContact CG2-CD2 4.13Å; V79-L150 PolarHBondContact N-O 2.98Å; L150-L152 HydrophobicContact CD1-CD2 3.86Å; L150-L152 HydrophobicContact CD2-CD1 4.24Å; L150-L152 HydrophobicContact CD2-CD2 3.81Å; L150-L152 HydrophobicContact CD2-CG 4Å; L150-L152 HydrophobicContact CG-CD2 3.83Å; L150-L152 HydrophobicContact CG-CG 4Å; L150-T195 WeakPolarHBondContact CA-O 3.5Å; L150-F197 HydrophobicContact CD1-CD2 3.59Å; L150-F197 HydrophobicContact CD1-CE2 4.15Å; L150-F197 HydrophobicContact CD1-CG 4.49Å
151L98.4Very high94.4Very high2 Ų228.7 Ų28.71%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-112.8118.3165.7170.862.2000109.4V79 V81 L138 I153 L185 I194 T195 I196 F197V79-L151 HydrophobicContact CB-CD1 3.9Å; V79-L151 HydrophobicContact CG1-CD1 3.75Å; V79-L151 CarbonylContact O-C 3.55Å; V79-L151 WeakPolarHBondContact O-CA 3.33Å; V81-L151 HydrophobicContact CG2-CD1 3.82Å; L138-L151 HydrophobicContact CD1-CD1 3.89Å; L138-L151 HydrophobicContact CD1-CD2 3.98Å; L151-I153 HydrophobicContact CD1-CG1 4.35Å; L151-I153 HydrophobicContact CD2-CD1 4.31Å; L151-I153 HydrophobicContact CG-CD1 4.45Å; L151-I153 HydrophobicContact CG-CG1 4.13Å; L151-L185 HydrophobicContact CD2-CD2 3.84Å; L151-I194 HydrophobicContact CB-CD1 4Å; L151-I194 HydrophobicContact CD2-CD1 4.25Å; L151-T195 PolarHBondContact N-O 2.7Å; L151-I196 HydrophobicContact CB-CG1 4.12Å; L151-I196 HydrophobicContact CD2-CD1 4.22Å; L151-I196 HydrophobicContact CD2-CG1 4.11Å; L151-I196 HydrophobicContact CG-CG1 4.39Å; L151-I196 VanDerWaalsContact O-CA 3.32Å; L151-I196 WeakPolarHBondContact O-CA 3.09Å; L151-F197 PolarHBondContact O-N 3.33Å
152L98.6Very high94.5Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-99.2134.2173.3-60.9-177.8000109.5L58 L62 V78 V79 F80 V81 L150 F197L58-L152 HydrophobicContact CB-CD1 4.45Å; L58-L152 HydrophobicContact CD2-CD2 4.33Å; L62-L152 HydrophobicContact CB-CD1 3.83Å; L62-L152 HydrophobicContact CD1-CD1 4.22Å; L62-L152 HydrophobicContact CG-CD1 4.25Å; V78-L152 HydrophobicContact CG1-CD1 3.85Å; V78-L152 HydrophobicContact CG1-CG 3.99Å; V79-L152 PolarHBondContact O-N 2.87Å; F80-L152 HydrophobicContact CB-CB 4.47Å; F80-L152 HydrophobicContact CD2-CB 3.64Å; F80-L152 HydrophobicContact CD2-CD1 3.66Å; F80-L152 HydrophobicContact CD2-CG 4.26Å; F80-L152 HydrophobicContact CE2-CB 4.1Å; F80-L152 HydrophobicContact CE2-CD1 4.08Å; F80-L152 HydrophobicContact CG-CB 4.19Å; V81-L152 PolarHBondContact N-O 2.78Å; L150-L152 HydrophobicContact CD1-CD2 3.86Å; L150-L152 HydrophobicContact CD2-CD1 4.24Å; L150-L152 HydrophobicContact CD2-CD2 3.81Å; L150-L152 HydrophobicContact CD2-CG 4Å; L150-L152 HydrophobicContact CG-CD2 3.83Å; L150-L152 HydrophobicContact CG-CG 4Å; L152-F197 CarbonylContact C-O 3.58Å; L152-F197 VanDerWaalsContact CA-O 3.31Å; L152-F197 WeakPolarHBondContact CA-O 3.36Å; L152-F197 HydrophobicContact CD2-CB 3.6Å; L152-F197 HydrophobicContact CD2-CG 4.36Å
153I98.5Very high94.6Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-127.8113.5174.6-52.2177.5000108.5V81 T83 L151 I156 L185 I196 F197 A198 T199V81-I153 HydrophobicContact CB-CG1 4.4Å; V81-I153 WeakPolarHBondContact O-CA 3.49Å; T83-I153 HydrophobicContact CG2-CG2 4.5Å; L151-I153 HydrophobicContact CD1-CG1 4.35Å; L151-I153 HydrophobicContact CD2-CD1 4.31Å; L151-I153 HydrophobicContact CG-CD1 4.45Å; L151-I153 HydrophobicContact CG-CG1 4.13Å; I153-I156 HydrophobicContact CD1-CD1 4.31Å; I153-I156 HydrophobicContact CG2-CB 4.37Å; I153-I156 HydrophobicContact CG2-CD1 4.41Å; I153-L185 HydrophobicContact CD1-CD1 3.98Å; I153-L185 HydrophobicContact CD1-CD2 4.24Å; I153-I196 HydrophobicContact CD1-CG2 4.36Å; I153-F197 PolarHBondContact N-O 2.55Å; I153-A198 HydrophobicContact CB-CB 4.01Å; I153-A198 CarbonylContact O-C 3.54Å; I153-A198 VanDerWaalsContact O-CA 3.28Å; I153-A198 WeakPolarHBondContact O-CA 3.24Å; I153-T199 PolarHBondContact O-N 2.94Å
154D97.2Very high94.7Very high2 Ų233.4 Ų33.41%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-119.992.5177-161.221.1000109.8T55 L58 F80 V81 T83 D84 S86 T199T55-D154 WeakPolarHBondContact CG2-OD2 3.48Å; T55-D154 PolarHBondContact OG1-OD2 2.85Å; L58-D154 HydrophobicContact CD1-CB 3.7Å; F80-D154 HydrophobicContact CE1-CB 3.95Å; F80-D154 HydrophobicContact CZ-CB 3.66Å; V81-D154 PolarHBondContact O-N 3.35Å; T83-D154 PolarHBondContact N-O 3.05Å; T83-D154 VanDerWaalsContact OG1-C 3.32Å; T83-D154 PolarHBondContact OG1-O 2.79Å; T83-D154 VanDerWaalsContact OG1-O 3.1Å; D84-D154 PolarHBondContact N-O 3.31Å; S86-D154 PolarHBondContact OG-OD2 3.21Å; D154-T199 WeakPolarHBondContact CA-OG1 3.23Å; D154-T199 WeakPolarHBondContact OD1-CB 3.31Å; D154-T199 WeakPolarHBondContact OD1-CG2 3.47Å; D154-T199 PolarHBondContact OD1-OG1 3.11Å
155S95.7Very high94.8Very high0 Ų034.1 Ų34.10%017%0.173CC..THydrogen-bonded Turncis-123.5152.31.3750000112.9T83 D84 S157 A158 T199 H201T83-S155 PolarHBondContact OG1-N 3.15Å; T83-S155 PolarHBondContact OG1-O 2.95Å; D84-S155 VanDerWaalsContact OD2-CB 3.28Å; D84-S155 WeakPolarHBondContact OD2-CB 3.36Å; D84-S155 PolarHBondContact OD2-N 3.16Å; D84-S155 PolarHBondContact OD2-OG 2.82Å; S155-S157 PolarHBondContact O-N 2.83Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S155-S157 PolarHBondContact OG-OG 2.78Å; S155-A158 WeakPolarHBondContact O-CB 3.38Å; S155-A158 PolarHBondContact O-N 2.89Å; S155-A158 PolarHBondContact OG-N 2.89Å; S155-T199 WeakPolarHBondContact CA-O 3.42Å; S155-T199 WeakPolarHBondContact CA-OG1 3.42Å; S155-T199 VanDerWaalsContact CB-O 3.3Å; S155-T199 WeakPolarHBondContact CB-O 3.21Å; S155-T199 WeakPolarHBondContact CB-OG1 3.41Å; S155-H201 PolarHBondContact OG-CD2 2.96Å
156I96.5Very high95Very high5 Ų536.3 Ų36.33%0.02619%0.186CC..THydrogen-bonded Turntrans-66.4-19176-166.760.6000112.4L131 I153 L178 L185 A198 T199 C200 L221 W225L131-I156 HydrophobicContact CD2-CD1 4.38Å; I153-I156 HydrophobicContact CD1-CD1 4.31Å; I153-I156 HydrophobicContact CG2-CB 4.37Å; I153-I156 HydrophobicContact CG2-CD1 4.41Å; I156-L178 HydrophobicContact CD1-CD1 4.06Å; I156-L178 HydrophobicContact CG1-CD1 4.04Å; I156-L185 HydrophobicContact CD1-CD1 4.29Å; I156-A198 HydrophobicContact CB-CB 4.04Å; I156-A198 HydrophobicContact CG2-CB 4.13Å; I156-T199 WeakPolarHBondContact CG2-O 3.38Å; I156-T199 PolarHBondContact N-O 2.82Å; I156-C200 HydrophobicContact CG2-CB 4.27Å; I156-L221 HydrophobicContact CG2-CD1 3.7Å; I156-W225 HydrophobicContact CB-CH2 4.36Å; I156-W225 HydrophobicContact CB-CZ2 4.35Å; I156-W225 HydrophobicContact CD1-CE3 4.41Å; I156-W225 HydrophobicContact CD1-CZ3 4.23Å; I156-W225 HydrophobicContact CG1-CD2 4.1Å; I156-W225 HydrophobicContact CG1-CE3 3.9Å; I156-W225 HydrophobicContact CG1-CH2 4.05Å; I156-W225 HydrophobicContact CG1-CZ2 4.22Å; I156-W225 HydrophobicContact CG1-CZ3 3.87Å; I156-W225 HydrophobicContact CG2-CH2 4.26Å; I156-W225 HydrophobicContact CG2-CZ2 3.76Å
157S94.9Very high95.1Very high10 Ų1034.2 Ų34.27%0.0718%0.175CC..THydrogen-bonded Turntrans-91.8-5.8-179.253.20000114.8S155 F159 Y160 H201S155-S157 PolarHBondContact O-N 2.83Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S155-S157 PolarHBondContact OG-OG 2.78Å; S157-F159 VanDerWaalsContact C-N 3.28Å; S157-F159 PolarHBondContact O-N 3.35Å; S157-F159 VanDerWaalsContact O-N 3.14Å; S157-Y160 WeakPolarHBondContact O-CB 3.33Å; S157-Y160 PolarHBondContact O-N 2.86Å; S157-H201 PolarHBondContact OG-N 2.9Å
158A95.3Very high95.2Very high28 Ų2830.5 Ų30.523%0.23117%0.174CC..THydrogen-bonded Turntrans-51.1-43-169.500000114.4T83 D84 S155T83-A158 WeakPolarHBondContact OG1-CB 3.42Å; D84-A158 WeakPolarHBondContact OD1-CB 3.45Å; S155-A158 WeakPolarHBondContact O-CB 3.38Å; S155-A158 PolarHBondContact O-N 2.89Å; S155-A158 PolarHBondContact OG-N 2.89Å
159F95.8Very high95Very high20 Ų2035.7 Ų35.79%0.08822%0.217CC..THydrogen-bonded Turntrans-93.16.6-174.3-50.5-57.1000114.2T83 C125 S126 S127 S128 L131 S157 W161 S162 D163T83-F159 HydrophobicContact CG2-CE2 3.89Å; T83-F159 HydrophobicContact CG2-CZ 4.15Å; C125-F159 HydrophobicContact CB-CZ 4.32Å; C125-F159 WeakPolarHBondContact O-CZ 3.33Å; S126-F159 WeakPolarHBondContact O-CE1 3.37Å; S127-F159 VanDerWaalsContact C-CD2 3.48Å; S127-F159 VanDerWaalsContact C-CZ 3.45Å; S127-F159 VanDerWaalsContact N-CE1 3.34Å; S127-F159 VanDerWaalsContact N-CZ 3.31Å; S127-F159 WeakPolarHBondContact O-CE2 3.39Å; S128-F159 VanDerWaalsContact CA-CD2 3.44Å; S128-F159 VanDerWaalsContact N-CG 3.3Å; L131-F159 HydrophobicContact CB-CE2 4.18Å; L131-F159 HydrophobicContact CD2-CD2 4.5Å; L131-F159 HydrophobicContact CD2-CE2 4.38Å; S157-F159 VanDerWaalsContact C-N 3.28Å; S157-F159 PolarHBondContact O-N 3.35Å; S157-F159 VanDerWaalsContact O-N 3.14Å; F159-W161 VanDerWaalsContact C-N 3.34Å; F159-W161 PolarHBondContact O-N 3.15Å; F159-S162 PolarHBondContact O-N 3.13Å; F159-D163 WeakPolarHBondContact O-CB 3.4Å; F159-D163 PolarHBondContact O-N 3.05Å
160Y93.9Very high94.9Very high15 Ų1538 Ų386%0.05923%0.233CC..Hα-helixtrans-51.9-49.3-173.1179-95.2000113.4S157 R164 I203 R205 L221S157-Y160 WeakPolarHBondContact O-CB 3.33Å; S157-Y160 PolarHBondContact O-N 2.86Å; Y160-R164 HydrophobicContact CD1-CG 4.37Å; Y160-R164 HydrophobicContact CE1-CG 4.16Å; Y160-R164 VanDerWaalsContact CZ-CZ 3.41Å; Y160-R164 VanDerWaalsContact O-CB 3.31Å; Y160-R164 WeakPolarHBondContact O-CB 3.33Å; Y160-R164 WeakPolarHBondContact O-CG 3.38Å; Y160-R164 PolarHBondContact O-N 3.38Å; Y160-R164 VanDerWaalsContact O-N 3.09Å; Y160-R164 PolarHBondContact OH-NH1 2.64Å; Y160-R164 PolarHBondContact OH-NH2 3.29Å; Y160-I203 HydrophobicContact CD1-CD1 3.93Å; Y160-I203 HydrophobicContact CD1-CG1 4.13Å; Y160-I203 HydrophobicContact CD1-CG2 3.95Å; Y160-I203 HydrophobicContact CD2-CD1 3.58Å; Y160-I203 HydrophobicContact CE1-CB 4.37Å; Y160-I203 HydrophobicContact CE1-CD1 3.98Å; Y160-I203 HydrophobicContact CE1-CG1 4.22Å; Y160-I203 HydrophobicContact CE1-CG2 3.3Å; Y160-I203 HydrophobicContact CE2-CD1 3.6Å; Y160-I203 HydrophobicContact CG-CD1 3.69Å; Y160-I203 HydrophobicContact CG-CG1 4.3Å; Y160-R205 PolarHBondContact OH-NE 3.19Å; Y160-R205 PolarHBondContact OH-NH2 3.32Å; Y160-L221 HydrophobicContact CD2-CD2 3.88Å; Y160-L221 HydrophobicContact CE2-CD2 4.37Å
161W92.7Very high94.5Very high152 Ų15241.9 Ų41.958%0.57626%0.256SS*.Hα-helixtrans-74-35.4-176.8-67.4116.8000112.9F159 R164 S165 I203F159-W161 VanDerWaalsContact C-N 3.34Å; F159-W161 PolarHBondContact O-N 3.15Å; W161-R164 PolarHBondContact O-N 2.82Å; W161-S165 WeakPolarHBondContact O-CB 3.42Å; W161-S165 PolarHBondContact O-N 2.92Å; W161-I203 HydrophobicContact CH2-CG2 4.1Å; W161-I203 HydrophobicContact CZ2-CG2 3.71Å
162S93.8Very high94.2Very high76 Ų7645.4 Ų45.453%0.53129%0.286SS..Hα-helixtrans-64.2-48.2175.8-57.50000111.2F159 R164 S165 E166F159-S162 PolarHBondContact O-N 3.13Å; S162-R164 VanDerWaalsContact C-N 3.3Å; S162-R164 PolarHBondContact O-N 3.48Å; S162-S165 WeakPolarHBondContact O-CB 3.31Å; S162-S165 PolarHBondContact O-N 2.88Å; S162-E166 PolarHBondContact O-N 2.84Å
163D94.6Very high94Very high12 Ų1251.7 Ų51.76%0.06431%0.314CS..Hα-helixtrans-64.6-37.6179-70-5.5000111.3S128 F159 E166 G167S128-D163 VanDerWaalsContact CB-OD1 3.3Å; S128-D163 WeakPolarHBondContact CB-OD1 3.47Å; S128-D163 WeakPolarHBondContact CB-OD2 3.47Å; S128-D163 VanDerWaalsContact OG-CG 3.3Å; S128-D163 PolarHBondContact OG-OD1 3.32Å; S128-D163 PolarHBondContact OG-OD2 3.32Å; F159-D163 WeakPolarHBondContact O-CB 3.4Å; F159-D163 PolarHBondContact O-N 3.05Å; D163-E166 PolarHBondContact O-N 3.39Å; D163-G167 PolarHBondContact O-N 3.42Å
164R91.6Very high93.7Very high35 Ų3553.4 Ų53.413%0.13232%0.322CS..Hα-helixtrans-62-41.8173.8-80.4-82.417090.73112.8Y160 W161 S162 Q174 E175Y160-R164 HydrophobicContact CD1-CG 4.37Å; Y160-R164 HydrophobicContact CE1-CG 4.16Å; Y160-R164 VanDerWaalsContact CZ-CZ 3.41Å; Y160-R164 VanDerWaalsContact O-CB 3.31Å; Y160-R164 WeakPolarHBondContact O-CB 3.33Å; Y160-R164 WeakPolarHBondContact O-CG 3.38Å; Y160-R164 PolarHBondContact O-N 3.38Å; Y160-R164 VanDerWaalsContact O-N 3.09Å; Y160-R164 PolarHBondContact OH-NH1 2.64Å; Y160-R164 PolarHBondContact OH-NH2 3.29Å; W161-R164 PolarHBondContact O-N 2.82Å; S162-R164 VanDerWaalsContact C-N 3.3Å; S162-R164 PolarHBondContact O-N 3.48Å; R164-Q174 HydrophobicContact CG-CB 4.44Å; R164-Q174 WeakPolarHBondContact O-CG 3.28Å; R164-E175 IonicContact CZ-OE1 2.89Å; R164-E175 IonicContact NH2-OE1 3.59Å; R164-E175 PolarHBondContact NH2-OE1 3.4Å
165S93.3Very high93.6Very high100 Ų10055.5 Ų55.570%0.69933%0.331SS*.Hα-helixtrans-65-46.6176.6-173.60000110.9W161 S162 G167 G168W161-S165 WeakPolarHBondContact O-CB 3.42Å; W161-S165 PolarHBondContact O-N 2.92Å; S162-S165 WeakPolarHBondContact O-CB 3.31Å; S162-S165 PolarHBondContact O-N 2.88Å; S165-G167 PolarHBondContact O-N 3.25Å; S165-G168 PolarHBondContact O-N 3.33Å
166E94.4Very high93.6Very high128 Ų12859 Ų5960%0.59835%0.348SS*.Hα-helixtrans-65-35.7-178.9-171.7-180165.900113S162 D163 G168 K177S162-E166 PolarHBondContact O-N 2.84Å; D163-E166 PolarHBondContact O-N 3.39Å; E166-G168 PolarHBondContact O-N 2.85Å; E166-K177 IonicContact OE1-NZ 2.61Å; E166-K177 PolarHBondContact OE1-NZ 2.97Å; E166-K177 IonicContact OE2-NZ 3.29Å; E166-K177 PolarHBondContact OE2-NZ 3.36Å
167G91.8Very high93.5Very high8 Ų860.5 Ų60.58%0.08235%0.354CS..THydrogen-bonded Turntrans-70.7-10.4179.900000115.5D163 S165 A169 S170D163-G167 PolarHBondContact O-N 3.42Å; S165-G167 PolarHBondContact O-N 3.25Å; G167-A169 PolarHBondContact O-N 3.2Å; G167-S170 PolarHBondContact O-N 3.47Å
168G92.7Very high93.6Very high44 Ų4460.9 Ų60.945%0.45436%0.355SS..THydrogen-bonded Turntrans57.9-132.4-179.900000112.3S165 E166 S170 Q174S165-G168 PolarHBondContact O-N 3.33Å; E166-G168 PolarHBondContact O-N 2.85Å; G168-S170 VanDerWaalsContact C-N 3.31Å; G168-S170 PolarHBondContact O-N 2.89Å; G168-Q174 PolarHBondContact O-NE2 3.44Å
169A91.8Very high93.7Very high109 Ų10961 Ų6190%0.90135%0.354SS*.THydrogen-bonded Turntrans-78-9.8-178.900000114.7G167G167-A169 PolarHBondContact O-N 3.2Å
170S94.6Very high93.8Very high49 Ų4966 Ų6634%0.34337%0.372SS..  trans-95.5108.9-173.9-179.80000111.3G167 G168 A172 K173 Q174G167-S170 PolarHBondContact O-N 3.47Å; G168-S170 VanDerWaalsContact C-N 3.31Å; G168-S170 PolarHBondContact O-N 2.89Å; S170-A172 PolarHBondContact O-N 3.31Å; S170-K173 PolarHBondContact O-N 2.77Å; S170-K173 PolarHBondContact OG-N 2.92Å; S170-Q174 VanDerWaalsContact O-CG 3.26Å; S170-Q174 WeakPolarHBondContact O-CG 3.35Å; S170-Q174 PolarHBondContact O-N 3.45Å
171V88.9Confident94Very high84 Ų8465.3 Ų65.351%0.50937%0.37SS..Hα-helixtrans-55.3-35.1174.9179.10000111.9Q174 E175V171-Q174 WeakPolarHBondContact O-CB 3.36Å; V171-Q174 PolarHBondContact O-N 2.94Å; V171-E175 HydrophobicContact CG1-CG 4.49Å; V171-E175 PolarHBondContact O-N 3.32Å
172A92.1Very high94.2Very high77 Ų7758.1 Ų58.164%0.63634%0.343SS*.Hα-helixtrans-61.5-45176.500000112S170 E175 E176S170-A172 PolarHBondContact O-N 3.31Å; A172-E175 PolarHBondContact O-N 3.44Å; A172-E176 WeakPolarHBondContact O-CA 3.46Å; A172-E176 WeakPolarHBondContact O-CB 3.41Å; A172-E176 PolarHBondContact O-N 2.89Å
173K93.9Very high94.4Very high132 Ų13259.6 Ų59.657%0.57434%0.341SS*.Hα-helixtrans-69.4-38.6175.5-67.7-174.3174.9-174.90112.1S170 E175 E176S170-K173 PolarHBondContact O-N 2.77Å; S170-K173 PolarHBondContact OG-N 2.92Å; K173-E175 PolarHBondContact O-N 2.98Å; K173-E176 WeakPolarHBondContact O-CB 3.41Å; K173-E176 PolarHBondContact O-N 2.96Å
174Q93.2Very high94.6Very high36 Ų3659 Ų5917%0.16834%0.338CS..Hα-helixtrans-59.6-31.7177.5-70.2176.2-4.900113.1R164 G168 S170 V171R164-Q174 HydrophobicContact CG-CB 4.44Å; R164-Q174 WeakPolarHBondContact O-CG 3.28Å; G168-Q174 PolarHBondContact O-NE2 3.44Å; S170-Q174 VanDerWaalsContact O-CG 3.26Å; S170-Q174 WeakPolarHBondContact O-CG 3.35Å; S170-Q174 PolarHBondContact O-N 3.45Å; V171-Q174 WeakPolarHBondContact O-CB 3.36Å; V171-Q174 PolarHBondContact O-N 2.94Å
175E93.9Very high94.9Very high46 Ų4657.4 Ų57.422%0.21533%0.332CS..Hα-helixtrans-107.5-0.1-177.5-63-173.517600113R164 V171 A172 K173 K177 L178 S179 C222R164-E175 IonicContact CZ-OE1 2.89Å; R164-E175 IonicContact NH2-OE1 3.59Å; R164-E175 PolarHBondContact NH2-OE1 3.4Å; V171-E175 HydrophobicContact CG1-CG 4.49Å; V171-E175 PolarHBondContact O-N 3.32Å; A172-E175 PolarHBondContact O-N 3.44Å; K173-E175 PolarHBondContact O-N 2.98Å; E175-K177 PolarHBondContact O-N 3.49Å; E175-L178 PolarHBondContact O-N 2.95Å; E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.17Å; E175-C222 HydrophobicContact CB-CB 4.15Å
176E95.4Very high95.1Very high73 Ų7353.3 Ų53.334%0.34131%0.306SS..Hα-helixtrans-56.7-50.9-171.1-178.2178.7173.400112.1A172 K173 S179 R180A172-E176 WeakPolarHBondContact O-CA 3.46Å; A172-E176 WeakPolarHBondContact O-CB 3.41Å; A172-E176 PolarHBondContact O-N 2.89Å; K173-E176 WeakPolarHBondContact O-CB 3.41Å; K173-E176 PolarHBondContact O-N 2.96Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-R180 WeakPolarHBondContact O-CG 3.21Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 IonicContact OE1-CZ 2.83Å; E176-R180 IonicContact OE1-NE 2.75Å; E176-R180 IonicContact OE1-NH1 3.47Å; E176-R180 PolarHBondContact OE1-NH1 3.36Å; E176-R180 IonicContact OE1-NH2 3.7Å; E176-R180 PolarHBondContact OE1-NH2 3Å
177K95.8Very high95.2Very high36 Ų3652 Ų5216%0.15730%0.296CS..Hα-helixtrans-66.8-46.4-175.5-63.5179.6-174.1173.50111.4S128 S129 E166 E175 S179 R180 C181S128-K177 WeakPolarHBondContact OG-CD 3.5Å; S129-K177 PolarHBondContact OG-NZ 2.83Å; E166-K177 IonicContact OE1-NZ 2.61Å; E166-K177 PolarHBondContact OE1-NZ 2.97Å; E166-K177 IonicContact OE2-NZ 3.29Å; E166-K177 PolarHBondContact OE2-NZ 3.36Å; E175-K177 PolarHBondContact O-N 3.49Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.89Å; K177-R180 PolarHBondContact O-N 3.43Å; K177-C181 PolarHBondContact O-N 3.19Å; K177-C181 PolarHBondContact O-SG 2.79Å
178L96.2Very high95.4Very high18 Ų1851.8 Ų51.89%0.09429%0.292CS..Hα-helixtrans-64.9-35.6176.1-176.262.2000112.4I156 E175 C181 S182 L221 C222I156-L178 HydrophobicContact CD1-CD1 4.06Å; I156-L178 HydrophobicContact CG1-CD1 4.04Å; E175-L178 PolarHBondContact O-N 2.95Å; L178-C181 PolarHBondContact O-N 3.22Å; L178-S182 WeakPolarHBondContact O-CB 3.41Å; L178-S182 PolarHBondContact O-N 2.93Å; L178-S182 PolarHBondContact O-OG 3.36Å; L178-L221 HydrophobicContact CD2-CB 3.98Å; L178-L221 HydrophobicContact CD2-CD2 3.85Å; L178-L221 HydrophobicContact CD2-CG 4.34Å; L178-C222 HydrophobicContact CD2-CB 4.42Å
179S97.1Very high95.5Very high31 Ų3150.1 Ų50.122%0.21727%0.273CS..Hα-helixtrans-60.8-48.2173-163.90000110.9E175 E176 K177 C181 S182 E183E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.17Å; E176-S179 PolarHBondContact O-N 2.89Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.89Å; S179-C181 PolarHBondContact O-N 3.32Å; S179-S182 WeakPolarHBondContact O-CB 3.49Å; S179-S182 PolarHBondContact O-N 3.13Å; S179-E183 WeakPolarHBondContact O-CB 3.43Å; S179-E183 VanDerWaalsContact O-CG 3.3Å; S179-E183 WeakPolarHBondContact O-CG 3.35Å; S179-E183 PolarHBondContact O-N 2.8Å; S179-E183 PolarHBondContact OG-OE1 3.12Å
180R97.9Very high95.6Very high124 Ų12452.3 Ų52.347%0.46826%0.258SS..Hα-helixtrans-62.1-42.3176.7-72.1-179.4177.8165.78.1112.7L132 E176 K177 S182 E183 L184L132-R180 HydrophobicContact CD1-CB 3.9Å; L132-R180 HydrophobicContact CD2-CB 4.15Å; E176-R180 WeakPolarHBondContact O-CG 3.21Å; E176-R180 PolarHBondContact O-N 3.42Å; E176-R180 IonicContact OE1-CZ 2.83Å; E176-R180 IonicContact OE1-NE 2.75Å; E176-R180 IonicContact OE1-NH1 3.47Å; E176-R180 PolarHBondContact OE1-NH1 3.36Å; E176-R180 IonicContact OE1-NH2 3.7Å; E176-R180 PolarHBondContact OE1-NH2 3Å; K177-R180 PolarHBondContact O-N 3.43Å; R180-S182 VanDerWaalsContact C-N 3.34Å; R180-E183 PolarHBondContact O-N 2.84Å; R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 PolarHBondContact O-N 2.92Å
181C98.1Very high95.6Very high1 Ų151.4 Ų51.41%0.00725%0.25CC..Hα-helixtrans-58.5-48.3173.6-70.60000110.7L135 K177 L178 S179 E183 L184 L185L135-C181 HydrophobicContact CD1-CB 3.78Å; K177-C181 PolarHBondContact O-N 3.19Å; K177-C181 PolarHBondContact O-SG 2.79Å; L178-C181 PolarHBondContact O-N 3.22Å; S179-C181 PolarHBondContact O-N 3.32Å; C181-E183 PolarHBondContact O-N 2.96Å; C181-L184 PolarHBondContact O-N 3.47Å; C181-L185 WeakPolarHBondContact O-CG 3.47Å; C181-L185 PolarHBondContact O-N 2.79Å
182S98.1Very high95.8Very high1 Ų147.7 Ų47.71%0.00723%0.226CC..Hα-helixtrans-61.5-46.6179-56.60000111.6L178 S179 R180 L184 L185 G186 W225 L228L178-S182 WeakPolarHBondContact O-CB 3.41Å; L178-S182 PolarHBondContact O-N 2.93Å; L178-S182 PolarHBondContact O-OG 3.36Å; S179-S182 WeakPolarHBondContact O-CB 3.49Å; S179-S182 PolarHBondContact O-N 3.13Å; R180-S182 VanDerWaalsContact C-N 3.34Å; S182-L184 VanDerWaalsContact C-N 3.28Å; S182-L184 PolarHBondContact O-N 3.38Å; S182-L185 PolarHBondContact O-N 3.26Å; S182-G186 PolarHBondContact O-N 2.88Å; S182-W225 WeakPolarHBondContact OG-CB 3.4Å; S182-W225 PolarHBondContact OG-N 3.29Å; S182-L228 WeakPolarHBondContact O-CD1 3.33Å
183E97.8Very high95.8Very high107 Ų10750.7 Ų50.750%0.522%0.221SC..Hα-helixtrans-59-40.2176.7-72.7160.6-150.900112S179 R180 C181 G186 R187S179-E183 WeakPolarHBondContact O-CB 3.43Å; S179-E183 VanDerWaalsContact O-CG 3.3Å; S179-E183 WeakPolarHBondContact O-CG 3.35Å; S179-E183 PolarHBondContact O-N 2.8Å; S179-E183 PolarHBondContact OG-OE1 3.12Å; R180-E183 PolarHBondContact O-N 2.84Å; C181-E183 PolarHBondContact O-N 2.96Å; E183-G186 PolarHBondContact O-N 3.05Å; E183-R187 WeakPolarHBondContact O-CG 3.38Å; E183-R187 PolarHBondContact O-N 3.21Å; E183-R187 VanDerWaalsContact O-N 3.1Å
184L97.6Very high95.9Very high1 Ų144.5 Ų44.51%0.00519%0.194CC..Hα-helixtrans-69.5-42.9175.7-178.252.1000112.3L132 L135 H136 R180 C181 S182 G186 R187 L188L132-L184 HydrophobicContact CD1-CD2 4.25Å; L135-L184 HydrophobicContact CB-CD2 3.44Å; L135-L184 VanDerWaalsContact CB-CD2 3.44Å; L135-L184 HydrophobicContact CB-CG 3.91Å; H136-L184 HydrophobicContact CB-CD2 4.37Å; R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 PolarHBondContact O-N 2.92Å; C181-L184 PolarHBondContact O-N 3.47Å; S182-L184 VanDerWaalsContact C-N 3.28Å; S182-L184 PolarHBondContact O-N 3.38Å; L184-G186 VanDerWaalsContact C-N 3.28Å; L184-G186 PolarHBondContact O-N 2.74Å; L184-R187 WeakPolarHBondContact O-CB 3.04Å; L184-R187 PolarHBondContact O-N 3.31Å; L184-L188 HydrophobicContact CD1-CG 4.42Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.09Å
185L98.3Very high96.1Very high0 Ų042.8 Ų42.80%019%0.186CC..Hα-helixtrans-56.9-43.4171.6-69.3177000111.2L135 L151 I153 I156 C181 S182 R187 L188 L189 I196 W225 L228L135-L185 HydrophobicContact CD1-CD1 4.49Å; L135-L185 HydrophobicContact CD1-CD2 3.9Å; L135-L185 HydrophobicContact CD1-CG 3.87Å; L135-L185 HydrophobicContact CD2-CD2 3.48Å; L135-L185 VanDerWaalsContact CD2-CD2 3.48Å; L135-L185 HydrophobicContact CD2-CG 4.38Å; L135-L185 HydrophobicContact CG-CD2 4.29Å; L151-L185 HydrophobicContact CD2-CD2 3.84Å; I153-L185 HydrophobicContact CD1-CD1 3.98Å; I153-L185 HydrophobicContact CD1-CD2 4.24Å; I156-L185 HydrophobicContact CD1-CD1 4.29Å; C181-L185 WeakPolarHBondContact O-CG 3.47Å; C181-L185 PolarHBondContact O-N 2.79Å; S182-L185 PolarHBondContact O-N 3.26Å; L185-R187 VanDerWaalsContact C-N 3.28Å; L185-R187 PolarHBondContact O-N 3.43Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 2.78Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L185-L189 WeakPolarHBondContact O-CB 3.37Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.17Å; L185-L189 PolarHBondContact O-N 2.73Å; L185-I196 HydrophobicContact CB-CD1 4.07Å; L185-I196 HydrophobicContact CD1-CD1 4.5Å; L185-I196 HydrophobicContact CD2-CD1 3.83Å; L185-I196 HydrophobicContact CG-CD1 4.34Å; L185-W225 HydrophobicContact CD1-CE3 4.38Å; L185-W225 HydrophobicContact CD1-CZ3 3.77Å; L185-L228 HydrophobicContact CB-CD1 4.25Å
186G97.8Very high96.3Very high15 Ų1540.6 Ų40.616%0.15518%0.176CC..Hα-helixtrans-58.3-37.4174.400000113.6S182 E183 L184 R190S182-G186 PolarHBondContact O-N 2.88Å; E183-G186 PolarHBondContact O-N 3.05Å; L184-G186 VanDerWaalsContact C-N 3.28Å; L184-G186 PolarHBondContact O-N 2.74Å; G186-R190 WeakPolarHBondContact O-CB 3.37Å; G186-R190 PolarHBondContact O-N 2.78Å
187R96.1Very high96.5Very high101 Ų10137.2 Ų37.238%0.38116%0.16SC..Hα-helixtrans-66.6-49.7171.9-68.6-174.8-79164.7-6.3111.3E183 L184 L185 L189 R190 D191E183-R187 WeakPolarHBondContact O-CG 3.38Å; E183-R187 PolarHBondContact O-N 3.21Å; E183-R187 VanDerWaalsContact O-N 3.1Å; L184-R187 WeakPolarHBondContact O-CB 3.04Å; L184-R187 PolarHBondContact O-N 3.31Å; L185-R187 VanDerWaalsContact C-N 3.28Å; L185-R187 PolarHBondContact O-N 3.43Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.34Å; R187-R190 PolarHBondContact O-N 2.78Å; R187-R190 VanDerWaalsContact O-N 3.12Å; R187-D191 WeakPolarHBondContact O-CB 3.26Å; R187-D191 PolarHBondContact O-N 2.69Å
188L95.9Very high96.6Very high2 Ų235.5 Ų35.51%0.0115%0.153CC..Hα-helixtrans-58.9-41.6-179.8-64.1177.9000112.4L138 E139 L142 L184 L185 Y192 I194L138-L188 HydrophobicContact CB-CD1 4.23Å; E139-L188 HydrophobicContact CB-CD2 4Å; E139-L188 HydrophobicContact CG-CD2 4.43Å; L142-L188 HydrophobicContact CD1-CD2 4.21Å; L184-L188 HydrophobicContact CD1-CG 4.42Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.09Å; L185-L188 HydrophobicContact CD2-CD1 4.47Å; L185-L188 PolarHBondContact O-N 2.78Å; L185-L188 VanDerWaalsContact O-N 3.15Å; L188-Y192 HydrophobicContact CD2-CD2 3.92Å; L188-Y192 HydrophobicContact CD2-CE2 3.85Å; L188-Y192 WeakPolarHBondContact O-CB 3.4Å; L188-Y192 PolarHBondContact O-N 2.93Å; L188-I194 HydrophobicContact CB-CD1 4.48Å
189L95.8Very high96.6Very high9 Ų934.6 Ų34.65%0.04715%0.148CC..Hα-helixtrans-60.5-45.7175.1-70.8165.4000112V43 L185 R187 R193 I194 I196 L228V43-L189 HydrophobicContact CG2-CD1 3.31Å; V43-L189 HydrophobicContact CG2-CD2 4.08Å; V43-L189 HydrophobicContact CG2-CG 4.33Å; L185-L189 WeakPolarHBondContact O-CB 3.37Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.17Å; L185-L189 PolarHBondContact O-N 2.73Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.34Å; L189-R193 WeakPolarHBondContact O-CA 3.16Å; L189-R193 PolarHBondContact O-N 2.81Å; L189-I194 HydrophobicContact CD2-CG1 4.32Å; L189-I194 VanDerWaalsContact CD2-O 3.26Å; L189-I194 WeakPolarHBondContact CD2-O 3.3Å; L189-I196 HydrophobicContact CD1-CD1 3.98Å; L189-I196 HydrophobicContact CD2-CB 4.43Å; L189-I196 HydrophobicContact CD2-CD1 3.57Å; L189-I196 HydrophobicContact CD2-CG1 3.71Å; L189-I196 HydrophobicContact CG-CD1 3.72Å; L189-I196 HydrophobicContact CG-CG1 4.41Å; L189-L228 HydrophobicContact CD1-CD2 4.29Å
190R94.3Very high96.6Very high156 Ų15633.2 Ų33.259%0.58914%0.138SC*.Hα-helixtrans-69.8-42.8-178.3-177.8178.757.7-117.5-3.7112.2G186 R187G186-R190 WeakPolarHBondContact O-CB 3.37Å; G186-R190 PolarHBondContact O-N 2.78Å; R187-R190 PolarHBondContact O-N 2.78Å; R187-R190 VanDerWaalsContact O-N 3.12Å
191D92.6Very high96.2Very high30 Ų3029.2 Ų29.216%0.1613%0.125CC..Hα-helixtrans-83.2-42.5-171.6-64.9-32.9000111.8R17 R187R17-D191 WeakPolarHBondContact CG-O 3.22Å; R17-D191 IonicContact CZ-OD1 3.93Å; R17-D191 IonicContact NE-OD1 2.8Å; R17-D191 IonicContact NH2-OD1 3.77Å; R17-D191 PolarHBondContact NH2-OD1 3.2Å; R187-D191 WeakPolarHBondContact O-CB 3.26Å; R187-D191 PolarHBondContact O-N 2.69Å
192Y93.6Very high95.8Very high6 Ų631.4 Ų31.42%0.02414%0.139CC..Hα-helixtrans-103.9-7.6-176.3-60.2-81.2000114A16 R17 R21 E139 L142 S143 L188 I194A16-Y192 HydrophobicContact CB-CE1 4.44Å; R17-Y192 HydrophobicContact CG-CE1 4.38Å; R21-Y192 WeakPolarHBondContact CD-O 3.45Å; R21-Y192 PolarHBondContact NE-O 2.87Å; E139-Y192 HydrophobicContact CG-CE2 3.89Å; E139-Y192 WeakPolarHBondContact CG-OH 3.46Å; E139-Y192 PolarHBondContact O-OH 2.88Å; L142-Y192 HydrophobicContact CB-CD1 3.8Å; L142-Y192 HydrophobicContact CB-CD2 4.36Å; L142-Y192 HydrophobicContact CB-CE1 4.13Å; L142-Y192 HydrophobicContact CB-CG 3.92Å; L142-Y192 HydrophobicContact CD1-CD2 3.98Å; L142-Y192 HydrophobicContact CD1-CG 4.01Å; S143-Y192 WeakPolarHBondContact OG-CE1 3.47Å; S143-Y192 PolarHBondContact OG-OH 2.86Å; L188-Y192 HydrophobicContact CD2-CD2 3.92Å; L188-Y192 HydrophobicContact CD2-CE2 3.85Å; L188-Y192 WeakPolarHBondContact O-CB 3.4Å; L188-Y192 PolarHBondContact O-N 2.93Å; Y192-I194 PolarHBondContact O-N 3.43Å; Y192-I194 VanDerWaalsContact O-N 3.14Å
193R93.6Very high95.1Very high140 Ų14031.9 Ų31.953%0.52814%0.142SC..  trans56.631.4175.7-62.8-67-168.1105.68.8113.4R40 L189R40-R193 HydrophobicContact CB-CB 4.11Å; R40-R193 WeakPolarHBondContact CB-O 3.33Å; L189-R193 WeakPolarHBondContact O-CA 3.16Å; L189-R193 PolarHBondContact O-N 2.81Å
194I95.8Very high93.7Very high1 Ų137.5 Ų37.51%0.00516%0.158CC..  trans-74.916217260.6167.5000111G41 L142 A148 L151 L188 L189 Y192 I196G41-I194 WeakPolarHBondContact CA-O 3.38Å; G41-I194 PolarHBondContact N-O 2.77Å; L142-I194 HydrophobicContact CD1-CD1 3.88Å; L142-I194 HydrophobicContact CD1-CG2 4.28Å; L142-I194 HydrophobicContact CD2-CG2 3.91Å; A148-I194 WeakPolarHBondContact O-CG2 3.04Å; L151-I194 HydrophobicContact CB-CD1 4Å; L151-I194 HydrophobicContact CD2-CD1 4.25Å; L188-I194 HydrophobicContact CB-CD1 4.48Å; L189-I194 HydrophobicContact CD2-CG1 4.32Å; L189-I194 VanDerWaalsContact CD2-O 3.26Å; L189-I194 WeakPolarHBondContact CD2-O 3.3Å; Y192-I194 PolarHBondContact O-N 3.43Å; Y192-I194 VanDerWaalsContact O-N 3.14Å; I194-I196 HydrophobicContact CD1-CG1 4.36Å
195T96.8Very high92.1Very high1 Ų143.5 Ų43.51%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-105.5139.2169.7-56.50000109.3P38 D39 A149 L150 L151 F197P38-T195 HydrophobicContact CB-CG2 3.88Å; P38-T195 HydrophobicContact CG-CG2 4.04Å; D39-T195 PolarHBondContact O-OG1 3.38Å; D39-T195 VanDerWaalsContact O-OG1 3.12Å; A149-T195 PolarHBondContact O-N 2.87Å; L150-T195 WeakPolarHBondContact CA-O 3.5Å; L151-T195 PolarHBondContact N-O 2.7Å; T195-F197 HydrophobicContact CG2-CD2 4.16Å; T195-F197 HydrophobicContact CG2-CE2 3.83Å
196I98.3Very high89.8Confident0 Ų047.7 Ų47.70%022%0.224CC..EExtended strand (participates in β ladder)trans-111.3132.9178.9-63.8172.1000109.9E42 V43 V44 L151 I153 L185 L189 I194 A198E42-I196 PolarHBondContact O-N 3Å; V43-I196 CarbonylContact C-O 3.34Å; V43-I196 WeakPolarHBondContact CA-O 3.46Å; V43-I196 HydrophobicContact CB-CB 4.5Å; V43-I196 HydrophobicContact CG1-CB 4.17Å; V43-I196 HydrophobicContact CG1-CG2 4.11Å; V43-I196 HydrophobicContact CG2-CB 4.18Å; V43-I196 HydrophobicContact CG2-CD1 4.37Å; V44-I196 PolarHBondContact N-O 3.4Å; L151-I196 HydrophobicContact CB-CG1 4.12Å; L151-I196 HydrophobicContact CD2-CD1 4.22Å; L151-I196 HydrophobicContact CD2-CG1 4.11Å; L151-I196 HydrophobicContact CG-CG1 4.39Å; L151-I196 VanDerWaalsContact O-CA 3.32Å; L151-I196 WeakPolarHBondContact O-CA 3.09Å; I153-I196 HydrophobicContact CD1-CG2 4.36Å; L185-I196 HydrophobicContact CB-CD1 4.07Å; L185-I196 HydrophobicContact CD1-CD1 4.5Å; L185-I196 HydrophobicContact CD2-CD1 3.83Å; L185-I196 HydrophobicContact CG-CD1 4.34Å; L189-I196 HydrophobicContact CD1-CD1 3.98Å; L189-I196 HydrophobicContact CD2-CB 4.43Å; L189-I196 HydrophobicContact CD2-CD1 3.57Å; L189-I196 HydrophobicContact CD2-CG1 3.71Å; L189-I196 HydrophobicContact CG-CD1 3.72Å; L189-I196 HydrophobicContact CG-CG1 4.41Å; I194-I196 HydrophobicContact CD1-CG1 4.36Å; I196-A198 HydrophobicContact CG2-CB 4.35Å
197F98.4Very high87.5Confident1 Ų150.8 Ų50.80%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-116126.2160.6-75.4-116.8000108.5V27 F32 P38 V44 V46 L58 L61 L150 L151 L152 I153 T195 L233V27-F197 HydrophobicContact CG1-CZ 4.08Å; F32-F197 HydrophobicContact CE2-CZ 4.27Å; F32-F197 AromaticContact CZ-CE1 3.9Å; F32-F197 HydrophobicContact CZ-CE1 3.9Å; F32-F197 AromaticContact CZ-CZ 3.8Å; F32-F197 HydrophobicContact CZ-CZ 3.8Å; P38-F197 HydrophobicContact CG-CE2 3.96Å; P38-F197 HydrophobicContact CG-CZ 3.87Å; V44-F197 HydrophobicContact CB-CD1 3.58Å; V44-F197 HydrophobicContact CB-CD2 4.17Å; V44-F197 HydrophobicContact CB-CE1 3.67Å; V44-F197 HydrophobicContact CB-CE2 4.24Å; V44-F197 HydrophobicContact CB-CG 3.85Å; V44-F197 HydrophobicContact CB-CZ 4.02Å; V44-F197 HydrophobicContact CG1-CD1 3.73Å; V44-F197 HydrophobicContact CG1-CE1 3.63Å; V44-F197 HydrophobicContact CG1-CG 4.49Å; V44-F197 HydrophobicContact CG1-CZ 4.32Å; V44-F197 HydrophobicContact CG2-CD1 4.09Å; V44-F197 HydrophobicContact CG2-CD2 4.09Å; V44-F197 HydrophobicContact CG2-CE1 3.74Å; V44-F197 HydrophobicContact CG2-CE2 3.73Å; V44-F197 HydrophobicContact CG2-CG 4.27Å; V44-F197 HydrophobicContact CG2-CZ 3.55Å; V44-F197 WeakPolarHBondContact O-CA 3.3Å; V46-F197 HydrophobicContact CG2-CD1 4.21Å; L58-F197 HydrophobicContact CD2-CB 4.37Å; L61-F197 HydrophobicContact CD1-CD1 3.4Å; L61-F197 HydrophobicContact CD1-CE1 3.37Å; L61-F197 HydrophobicContact CD1-CG 4.13Å; L61-F197 HydrophobicContact CD1-CZ 4.09Å; L61-F197 HydrophobicContact CD2-CE1 4.39Å; L61-F197 HydrophobicContact CD2-CZ 4.49Å; L150-F197 HydrophobicContact CD1-CD2 3.59Å; L150-F197 HydrophobicContact CD1-CE2 4.15Å; L150-F197 HydrophobicContact CD1-CG 4.49Å; L151-F197 PolarHBondContact O-N 3.33Å; L152-F197 CarbonylContact C-O 3.58Å; L152-F197 VanDerWaalsContact CA-O 3.31Å; L152-F197 WeakPolarHBondContact CA-O 3.36Å; L152-F197 HydrophobicContact CD2-CB 3.6Å; L152-F197 HydrophobicContact CD2-CG 4.36Å; I153-F197 PolarHBondContact N-O 2.55Å; T195-F197 HydrophobicContact CG2-CD2 4.16Å; T195-F197 HydrophobicContact CG2-CE2 3.83Å; F197-L233 HydrophobicContact CE1-CD1 4.32Å
198A98.3Very high84.9Confident0 Ų054.8 Ų54.80%027%0.272CS..EExtended strand (participates in β ladder)trans-130.7130.118000000110.6V44 E45 V46 I153 I156 I196 W225V44-A198 PolarHBondContact O-N 3.29Å; E45-A198 CarbonylContact C-O 3.54Å; E45-A198 WeakPolarHBondContact CA-O 3.33Å; V46-A198 PolarHBondContact N-O 3.44Å; I153-A198 HydrophobicContact CB-CB 4.01Å; I153-A198 CarbonylContact O-C 3.54Å; I153-A198 VanDerWaalsContact O-CA 3.28Å; I153-A198 WeakPolarHBondContact O-CA 3.24Å; I156-A198 HydrophobicContact CB-CB 4.04Å; I156-A198 HydrophobicContact CG2-CB 4.13Å; I196-A198 HydrophobicContact CG2-CB 4.35Å; A198-W225 HydrophobicContact CB-CH2 3.48Å; A198-W225 VanDerWaalsContact CB-CH2 3.48Å; A198-W225 HydrophobicContact CB-CZ2 3.8Å
199T97.6Very high82.7Confident0 Ų056.5 Ų56.50%029%0.29CS..EExtended strand (participates in β ladder)trans-79.6146.9173.764.30000110.1V46 K54 L58 I153 D154 S155 I156V46-T199 HydrophobicContact CB-CG2 4.1Å; V46-T199 HydrophobicContact CG1-CG2 4.46Å; V46-T199 CarbonylContact O-C 3.49Å; V46-T199 WeakPolarHBondContact O-CA 3.41Å; K54-T199 HydrophobicContact CB-CG2 3.93Å; L58-T199 HydrophobicContact CD1-CG2 3.69Å; L58-T199 HydrophobicContact CD2-CG2 4.03Å; L58-T199 HydrophobicContact CG-CG2 3.89Å; I153-T199 PolarHBondContact O-N 2.94Å; D154-T199 WeakPolarHBondContact CA-OG1 3.23Å; D154-T199 WeakPolarHBondContact OD1-CB 3.31Å; D154-T199 WeakPolarHBondContact OD1-CG2 3.47Å; D154-T199 PolarHBondContact OD1-OG1 3.11Å; S155-T199 WeakPolarHBondContact CA-O 3.42Å; S155-T199 WeakPolarHBondContact CA-OG1 3.42Å; S155-T199 VanDerWaalsContact CB-O 3.3Å; S155-T199 WeakPolarHBondContact CB-O 3.21Å; S155-T199 WeakPolarHBondContact CB-OG1 3.41Å; I156-T199 WeakPolarHBondContact CG2-O 3.38Å; I156-T199 PolarHBondContact N-O 2.82Å
200C95.1Very high80.4Confident1 Ų161.9 Ų61.91%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-137.7133.3176.3-177.80000109.8E45 V46 Y47 G48 I156E45-C200 HydrophobicContact CG-CB 4Å; V46-C200 PolarHBondContact O-N 3.25Å; Y47-C200 WeakPolarHBondContact CA-O 3.36Å; Y47-C200 HydrophobicContact CD2-CB 4.05Å; G48-C200 PolarHBondContact N-O 3.24Å; G48-C200 VanDerWaalsContact N-O 3.15Å; I156-C200 HydrophobicContact CG2-CB 4.27Å
201H91.2Very high78.1Confident41 Ų4159.2 Ų59.219%0.1933%0.328CS..  trans-90.8148.9175.9-63.8-99.7000110.8S155 S157 I203S155-H201 PolarHBondContact OG-CD2 2.96Å; S157-H201 PolarHBondContact OG-N 2.9Å; H201-I203 PolarHBondContact O-N 3.49Å
202P88.3Confident75.8Confident46 Ų4660.2 Ų60.230%0.29934%0.338SS..  trans-60.1125170.7-23.732.5000110.9Y47 G48 P49Y47-P202 HydrophobicContact CE1-CG 4.33Å; Y47-P202 HydrophobicContact CE2-CB 4.38Å; Y47-P202 HydrophobicContact CE2-CG 4.21Å; Y47-P202 WeakPolarHBondContact OH-CA 3.35Å; Y47-P202 WeakPolarHBondContact OH-CB 3.39Å; G48-P202 VanDerWaalsContact O-CD 3.24Å; G48-P202 WeakPolarHBondContact O-CD 3.44Å; P49-P202 HydrophobicContact CG-CG 4.08Å
203I83.4Confident73.5Confident12 Ų1265.8 Ų65.86%0.06238%0.378CS..  trans-97.4100174-64.2158.2000107.3Y160 W161 H201 R205 H220 L221Y160-I203 HydrophobicContact CD1-CD1 3.93Å; Y160-I203 HydrophobicContact CD1-CG1 4.13Å; Y160-I203 HydrophobicContact CD1-CG2 3.95Å; Y160-I203 HydrophobicContact CD2-CD1 3.58Å; Y160-I203 HydrophobicContact CE1-CB 4.37Å; Y160-I203 HydrophobicContact CE1-CD1 3.98Å; Y160-I203 HydrophobicContact CE1-CG1 4.22Å; Y160-I203 HydrophobicContact CE1-CG2 3.3Å; Y160-I203 HydrophobicContact CE2-CD1 3.6Å; Y160-I203 HydrophobicContact CG-CD1 3.69Å; Y160-I203 HydrophobicContact CG-CG1 4.3Å; W161-I203 HydrophobicContact CH2-CG2 4.1Å; W161-I203 HydrophobicContact CZ2-CG2 3.71Å; H201-I203 PolarHBondContact O-N 3.49Å; I203-R205 HydrophobicContact CG2-CG 4.44Å; I203-R205 PolarHBondContact O-N 3.02Å; I203-R205 VanDerWaalsContact O-N 3.16Å; I203-H220 HydrophobicContact CB-CB 4.14Å; I203-H220 HydrophobicContact CD1-CB 4.1Å; I203-H220 PolarHBondContact O-CD2 3.04Å; I203-H220 VanDerWaalsContact O-CD2 3.24Å; I203-L221 HydrophobicContact CD1-CD2 3.65Å; I203-L221 HydrophobicContact CD1-CG 4.48Å
204R70.1Confident71.3Confident225 Ų22562.5 Ų62.585%0.84938%0.376SS*.  trans-73.7106.7172.3-70.7-174.6179161.60.1109.2
205R62.5Low68.8Low127 Ų12767.5 Ų67.548%0.47940%0.399SS..  trans-80.3128.2162-62.7-170.3-175.4-171.47.4106.9Y160 I203 S207Y160-R205 PolarHBondContact OH-NE 3.19Å; Y160-R205 PolarHBondContact OH-NH2 3.32Å; I203-R205 HydrophobicContact CG2-CG 4.44Å; I203-R205 PolarHBondContact O-N 3.02Å; I203-R205 VanDerWaalsContact O-N 3.16Å; R205-S207 VanDerWaalsContact C-N 3.26Å; R205-S207 PolarHBondContact O-N 3.38Å
206G50.8Low66.3Low88 Ų8870.4 Ų70.491%0.90742%0.424SS*.  trans-64.287.4174.500000110.1
207S49.5Very low64Low80 Ų8075 Ų7556%0.55945%0.449SS*.  trans-97.1124.816961.50000108.2R205 G209R205-S207 VanDerWaalsContact C-N 3.26Å; R205-S207 PolarHBondContact O-N 3.38Å; S207-G209 PolarHBondContact O-N 3.42Å
208N40Very low62.1Low185 Ų18583.3 Ų83.399%0.98948%0.48SS*.SBendtrans-74.463.6171.7-77.2-8.6000110.3
209G50.6Low60.6Low38 Ų3883.6 Ų83.639%0.39248%0.482SS..SBendtrans-169.1151.5177.800000111.1S207S207-G209 PolarHBondContact O-N 3.42Å
210P46.7Very low59.7Low122 Ų12286.1 Ų86.179%0.79249%0.493SS*.PPolyproline II helixtrans-62132.9174.426.1-31.2000109S212P210-S212 PolarHBondContact O-N 2.91Å
211P47.2Very low59.5Low99 Ų9986.2 Ų86.264%0.64349%0.494SS*.PPolyproline II helixtrans-60.3128.4177.224.6-32.2000108.9
212S44.4Very low59.5Low51 Ų5184.4 Ų84.436%0.35749%0.486SS..PPolyproline II helixtrans-66.2145167.560.90000109P210 S214 E215P210-S212 PolarHBondContact O-N 2.91Å; S212-S214 PolarHBondContact O-N 2.76Å; S212-S214 PolarHBondContact OG-OG 3.1Å; S212-E215 PolarHBondContact N-OE2 3.48Å; S212-E215 PolarHBondContact O-N 3.41Å; S212-E215 VanDerWaalsContact OG-CG 3.31Å; S212-E215 WeakPolarHBondContact OG-CG 3.45Å; S212-E215 PolarHBondContact OG-OE2 2.84Å
213S45.4Very low59.8Low124 Ų12491.1 Ų91.187%0.86751%0.505SS*.THydrogen-bonded Turntrans-56.8-17.1-178.553.20000113.9
214S47.1Very low60.4Low71 Ų7191.4 Ų91.450%0.49751%0.509SS..THydrogen-bonded Turntrans-92.4-15.4177.658.60000114.8S212S212-S214 PolarHBondContact O-N 2.76Å; S212-S214 PolarHBondContact OG-OG 3.1Å
215E43.9Very low61.6Low105 Ų10580.7 Ų80.749%0.49147%0.469SS..THydrogen-bonded Turntrans-84.9-30178.1-85.3175.8142.300113.1S212 D217 R218S212-E215 PolarHBondContact N-OE2 3.48Å; S212-E215 PolarHBondContact O-N 3.41Å; S212-E215 VanDerWaalsContact OG-CG 3.31Å; S212-E215 WeakPolarHBondContact OG-CG 3.45Å; S212-E215 PolarHBondContact OG-OE2 2.84Å; E215-D217 PolarHBondContact O-N 2.82Å; E215-D217 VanDerWaalsContact O-N 3.11Å; E215-R218 PolarHBondContact O-N 3.16Å
216A44Very low63.1Low63 Ų6378.9 Ų78.952%0.52147%0.466SS..THydrogen-bonded Turntrans-62.5-18.1177.900000113.3
217D48.7Very low65.2Low97 Ų9784 Ų8452%0.51946%0.458SS..THydrogen-bonded Turntrans-109.29.8-169.9-141.610.6000113.4E215 R232E215-D217 PolarHBondContact O-N 2.82Å; E215-D217 VanDerWaalsContact O-N 3.11Å; D217-R232 PolarHBondContact O-NH1 2.99Å
218R59Low67.4Low175 Ų17581.9 Ų81.966%0.6644%0.44SS*.SBendtrans-105.5120.2176.8-71.1-174.6178.3-174.7-0110.8E215 H220E215-R218 PolarHBondContact O-N 3.16Å; R218-H220 PolarHBondContact O-CE1 3.39Å; R218-H220 PolarHBondContact O-N 3.21Å; R218-H220 VanDerWaalsContact O-N 3.14Å; R218-H220 PolarHBondContact O-ND1 2.85Å
219S67.9Low70Confident5 Ų573.6 Ų73.64%0.03540%0.396CS..  trans-54.8121.3168.8179.80000109E45 L221 Q226E45-S219 WeakPolarHBondContact OE1-CB 3.09Å; E45-S219 PolarHBondContact OE1-OG 3.16Å; S219-L221 PolarHBondContact O-N 3.37Å; S219-Q226 PolarHBondContact O-NE2 3.43Å; S219-Q226 VanDerWaalsContact O-NE2 3.09Å
220H78.2Confident72.1Confident53 Ų5372.7 Ų72.725%0.24538%0.383CS..  trans-86.37.8-176.8-61.9-57.3000113.3I203 R218I203-H220 HydrophobicContact CB-CB 4.14Å; I203-H220 HydrophobicContact CD1-CB 4.1Å; I203-H220 PolarHBondContact O-CD2 3.04Å; I203-H220 VanDerWaalsContact O-CD2 3.24Å; R218-H220 PolarHBondContact O-CE1 3.39Å; R218-H220 PolarHBondContact O-N 3.21Å; R218-H220 VanDerWaalsContact O-N 3.14Å; R218-H220 PolarHBondContact O-ND1 2.85Å
221L90.6Very high74.4Confident3 Ų367 Ų672%0.01635%0.345CS..SBendtrans-75.4172.8174.2-60.6-175.8000111.1I156 Y160 L178 I203 S219 W225 Q226I156-L221 HydrophobicContact CG2-CD1 3.7Å; Y160-L221 HydrophobicContact CD2-CD2 3.88Å; Y160-L221 HydrophobicContact CE2-CD2 4.37Å; L178-L221 HydrophobicContact CD2-CB 3.98Å; L178-L221 HydrophobicContact CD2-CD2 3.85Å; L178-L221 HydrophobicContact CD2-CG 4.34Å; I203-L221 HydrophobicContact CD1-CD2 3.65Å; I203-L221 HydrophobicContact CD1-CG 4.48Å; S219-L221 PolarHBondContact O-N 3.37Å; L221-W225 HydrophobicContact CB-CB 4.35Å; L221-W225 HydrophobicContact CB-CG 4.29Å; L221-W225 HydrophobicContact CD1-CG 4.15Å; L221-Q226 PolarHBondContact O-NE2 3.43Å
222C91.8Very high76.6Confident3 Ų363.4 Ų63.42%0.0232%0.319CS..  trans-62.4156.9-174.572.50000112.3E175 L178 A224 W225 Q226E175-C222 HydrophobicContact CB-CB 4.15Å; L178-C222 HydrophobicContact CD2-CB 4.42Å; C222-A224 PolarHBondContact O-N 3.06Å; C222-W225 PolarHBondContact O-N 3.17Å; C222-W225 VanDerWaalsContact O-N 3.17Å; C222-Q226 PolarHBondContact O-N 2.67Å
223R93.2Very high79Confident188 Ų18861 Ų6171%0.70930%0.302SS*.Hα-helixtrans-60.3-28.9-179.8-72.8-173.7178.6174.60.1113.5R227R223-R227 WeakPolarHBondContact O-CG 3.28Å; R223-R227 PolarHBondContact O-N 2.91Å
224A95.7Very high81.4Confident17 Ų1757 Ų5714%0.1427%0.272CS..Hα-helixtrans-63.6-45.8177.800000110.8C222 R227C222-A224 PolarHBondContact O-N 3.06Å; A224-R227 PolarHBondContact O-N 3.18Å
225W96.4Very high83.7Confident0 Ų053.7 Ų53.70%025%0.249CC..Hα-helixtrans-60.9-50.2174.5177-107.1000112.1V43 E45 I156 S182 L185 A198 L221 C222 R227 L228 V229V43-W225 HydrophobicContact CG1-CH2 3.71Å; V43-W225 HydrophobicContact CG1-CZ2 4.21Å; V43-W225 HydrophobicContact CG1-CZ3 4.3Å; E45-W225 HydrophobicContact CG-CZ2 4.46Å; E45-W225 PolarHBondContact OE1-NE1 2.93Å; I156-W225 HydrophobicContact CB-CH2 4.36Å; I156-W225 HydrophobicContact CB-CZ2 4.35Å; I156-W225 HydrophobicContact CD1-CE3 4.41Å; I156-W225 HydrophobicContact CD1-CZ3 4.23Å; I156-W225 HydrophobicContact CG1-CD2 4.1Å; I156-W225 HydrophobicContact CG1-CE3 3.9Å; I156-W225 HydrophobicContact CG1-CH2 4.05Å; I156-W225 HydrophobicContact CG1-CZ2 4.22Å; I156-W225 HydrophobicContact CG1-CZ3 3.87Å; I156-W225 HydrophobicContact CG2-CH2 4.26Å; I156-W225 HydrophobicContact CG2-CZ2 3.76Å; S182-W225 WeakPolarHBondContact OG-CB 3.4Å; S182-W225 PolarHBondContact OG-N 3.29Å; L185-W225 HydrophobicContact CD1-CE3 4.38Å; L185-W225 HydrophobicContact CD1-CZ3 3.77Å; A198-W225 HydrophobicContact CB-CH2 3.48Å; A198-W225 VanDerWaalsContact CB-CH2 3.48Å; A198-W225 HydrophobicContact CB-CZ2 3.8Å; L221-W225 HydrophobicContact CB-CB 4.35Å; L221-W225 HydrophobicContact CB-CG 4.29Å; L221-W225 HydrophobicContact CD1-CG 4.15Å; C222-W225 PolarHBondContact O-N 3.17Å; C222-W225 VanDerWaalsContact O-N 3.17Å; W225-R227 PolarHBondContact O-N 3.24Å; W225-L228 HydrophobicContact CE3-CD1 4.45Å; W225-L228 WeakPolarHBondContact O-CB 3.3Å; W225-L228 PolarHBondContact O-N 3.29Å; W225-V229 HydrophobicContact CD2-CG2 4.13Å; W225-V229 HydrophobicContact CG-CG2 4.41Å; W225-V229 HydrophobicContact CZ2-CG2 3.75Å; W225-V229 PolarHBondContact O-N 2.84Å
226Q93.9Very high86.1Confident89 Ų8951.3 Ų51.342%0.41624%0.244SC..Hα-helixtrans-56.4-29.9-177.6-65.9178.635.600113.4S219 L221 C222S219-Q226 PolarHBondContact O-NE2 3.43Å; S219-Q226 VanDerWaalsContact O-NE2 3.09Å; L221-Q226 PolarHBondContact O-NE2 3.43Å; C222-Q226 PolarHBondContact O-N 2.67Å
227R94.4Very high88.4Confident196 Ų19655 Ų5574%0.7424%0.244SC*.Hα-helixtrans-76.7-21.4178-72.9170.6-178.6155.2-2.9113.9R223 A224 W225R223-R227 WeakPolarHBondContact O-CG 3.28Å; R223-R227 PolarHBondContact O-N 2.91Å; A224-R227 PolarHBondContact O-N 3.18Å; W225-R227 PolarHBondContact O-N 3.24Å
228L95.9Very high90.1Very high35 Ų3555.2 Ų55.218%0.18324%0.242CC..Hα-helixtrans-84.6-31.1178.5-61.1172.1000111.8V43 S182 L185 L189 W225 T230V43-L228 WeakPolarHBondContact CB-O 3.04Å; V43-L228 HydrophobicContact CG2-CB 4.04Å; V43-L228 WeakPolarHBondContact CG2-O 3.48Å; S182-L228 WeakPolarHBondContact O-CD1 3.33Å; L185-L228 HydrophobicContact CB-CD1 4.25Å; L189-L228 HydrophobicContact CD1-CD2 4.29Å; W225-L228 HydrophobicContact CE3-CD1 4.45Å; W225-L228 WeakPolarHBondContact O-CB 3.3Å; W225-L228 PolarHBondContact O-N 3.29Å; L228-T230 WeakPolarHBondContact O-CG2 3.44Å; L228-T230 PolarHBondContact O-N 2.54Å
229V95.4Very high90.9Very high12 Ų1255 Ų557%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-66114.5-175.3172.30000109.8V43 E45 W225 W267V43-V229 HydrophobicContact CG1-CG2 4.35Å; E45-V229 HydrophobicContact CB-CG1 3.67Å; E45-V229 HydrophobicContact CB-CG2 4.01Å; W225-V229 HydrophobicContact CD2-CG2 4.13Å; W225-V229 HydrophobicContact CG-CG2 4.41Å; W225-V229 HydrophobicContact CZ2-CG2 3.75Å; W225-V229 PolarHBondContact O-N 2.84Å; V229-W267 HydrophobicContact CB-CZ3 4.42Å; V229-W267 HydrophobicContact CG1-CH2 3.78Å; V229-W267 HydrophobicContact CG1-CZ3 3.45Å; V229-W267 VanDerWaalsContact CG1-CZ3 3.45Å; V229-W267 WeakPolarHBondContact O-CZ3 3.48Å
230T94.6Very high90.5Very high18 Ų1857.7 Ų57.711%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-103.5-28.6-177.855.30000112.9E42 V43 L228 W267 T268E42-T230 HydrophobicContact CB-CG2 4.17Å; E42-T230 WeakPolarHBondContact CB-OG1 3.29Å; E42-T230 HydrophobicContact CG-CG2 4.13Å; V43-T230 PolarHBondContact N-OG1 2.9Å; V43-T230 PolarHBondContact O-N 2.83Å; V43-T230 PolarHBondContact O-OG1 3.48Å; L228-T230 WeakPolarHBondContact O-CG2 3.44Å; L228-T230 PolarHBondContact O-N 2.54Å; T230-W267 VanDerWaalsContact C-CZ3 3.48Å; T230-W267 PolarHBondContact O-N 2.79Å; T230-W267 VanDerWaalsContact O-N 3.1Å; T230-T268 HydrophobicContact CG2-CG2 3.88Å
231H93.8Very high89.2Confident2 Ų263.4 Ų63.41%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-133.2143.7178.9-61.873.3000108.7G36 E42 V43 V44 E45 S265 S266G36-H231 PolarHBondContact O-NE2 2.94Å; E42-H231 IonicContact OE2-CE1 3.16Å; E42-H231 PolarHBondContact OE2-CE1 3.23Å; E42-H231 IonicContact OE2-ND1 2.78Å; V43-H231 PolarHBondContact O-N 2.88Å; V44-H231 WeakPolarHBondContact CA-O 3.2Å; V44-H231 HydrophobicContact CB-CB 4.24Å; V44-H231 HydrophobicContact CG1-CB 4Å; V44-H231 HydrophobicContact CG2-CB 3.96Å; E45-H231 PolarHBondContact N-O 3.12Å; H231-S265 CarbonylContact C-O 3.58Å; H231-S265 WeakPolarHBondContact CA-O 3.2Å; H231-S266 VanDerWaalsContact CD2-CB 3.43Å; H231-S266 WeakPolarHBondContact CD2-CB 3.4Å; H231-S266 PolarHBondContact CD2-OG 2.89Å; H231-S266 VanDerWaalsContact CD2-OG 3.29Å; H231-S266 PolarHBondContact NE2-OG 2.79Å
232R94.2Very high86.9Confident25 Ų2571.5 Ų71.59%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-126.9127.4169.1178178.3-67151.73.5111.1E45 D217 V234 C264 S265 W267E45-R232 CarbonylContact O-C 3.49Å; E45-R232 VanDerWaalsContact O-CA 3.3Å; E45-R232 WeakPolarHBondContact O-CA 3.37Å; E45-R232 IonicContact OE2-CZ 3.94Å; E45-R232 IonicContact OE2-NE 2.7Å; E45-R232 PolarHBondContact OE2-NE 3.3Å; E45-R232 IonicContact OE2-NH2 3.2Å; E45-R232 PolarHBondContact OE2-NH2 3.15Å; D217-R232 PolarHBondContact O-NH1 2.99Å; R232-V234 HydrophobicContact CG-CG2 3.81Å; R232-C264 CarbonylContact O-C 3.52Å; R232-C264 VanDerWaalsContact O-CA 3.31Å; R232-C264 WeakPolarHBondContact O-CA 3.39Å; R232-S265 PolarHBondContact N-O 3.41Å; R232-S265 PolarHBondContact O-N 3.28Å; R232-W267 HydrophobicContact CB-CH2 3.44Å; R232-W267 VanDerWaalsContact CB-CH2 3.44Å; R232-W267 HydrophobicContact CB-CZ2 3.99Å; R232-W267 HydrophobicContact CB-CZ3 4.3Å
233L95.4Very high84.6Confident0 Ų077 Ų770%037%0.365CS..EExtended strand (participates in β ladder)trans-103.1105.3171.8-61-174.6000108L31 F32 V44 E45 V46 Y47 L57 F197 V262 H263 C264L31-L233 HydrophobicContact CD1-CD1 4.2Å; F32-L233 HydrophobicContact CE1-CD2 4.15Å; F32-L233 HydrophobicContact CZ-CD1 4.35Å; V44-L233 HydrophobicContact CG1-CD1 3.81Å; V44-L233 HydrophobicContact CG1-CG 3.69Å; E45-L233 PolarHBondContact O-N 2.77Å; V46-L233 CarbonylContact C-O 3.57Å; V46-L233 WeakPolarHBondContact CA-O 3.26Å; V46-L233 HydrophobicContact CG1-CB 4.44Å; V46-L233 HydrophobicContact CG2-CB 4.44Å; V46-L233 HydrophobicContact CG2-CD1 4.25Å; Y47-L233 PolarHBondContact N-O 2.79Å; L57-L233 HydrophobicContact CD2-CD1 4.11Å; F197-L233 HydrophobicContact CE1-CD1 4.32Å; L233-V262 HydrophobicContact CB-CG2 3.7Å; L233-V262 HydrophobicContact CD2-CG2 4.13Å; L233-V262 HydrophobicContact CG-CG2 4.34Å; L233-H263 WeakPolarHBondContact CA-O 3.39Å; L233-C264 HydrophobicContact CD2-CB 3.42Å; L233-C264 VanDerWaalsContact CD2-CB 3.42Å; L233-C264 VanDerWaalsContact CD2-SG 3.56Å
234V95.5Very high82.2Confident40 Ų4073.7 Ų73.724%0.24237%0.368CS..EExtended strand (participates in β ladder)trans-90.3109.2177.9-177.50000109.4Y47 R232 V262 H263Y47-V234 HydrophobicContact CD1-CG1 4.38Å; Y47-V234 CarbonylContact O-C 3.56Å; Y47-V234 WeakPolarHBondContact O-CA 3.41Å; R232-V234 HydrophobicContact CG-CG2 3.81Å; V234-V262 WeakPolarHBondContact O-CA 3.37Å; V234-H263 HydrophobicContact CB-CB 4.42Å; V234-H263 PolarHBondContact N-O 3.03Å; V234-H263 PolarHBondContact O-N 3.48Å
235C95.4Very high79.7Confident1 Ų176.3 Ų76.31%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-94.6127.9-178.1-62.70000111.9Y47 T52 K54 T261Y47-C235 PolarHBondContact O-N 3.34Å; T52-C235 PolarHBondContact OG1-O 3.14Å; K54-C235 HydrophobicContact CG-CB 4.09Å; C235-T261 CarbonylContact C-O 3.56Å; C235-T261 WeakPolarHBondContact CA-O 3.32Å
236S94.4Very high77.2Confident55 Ų5583.5 Ų83.539%0.38543%0.428SS..EExtended strand (participates in β ladder)trans-131.2155.9173.263.20000111.1F260 T261S236-F260 WeakPolarHBondContact O-CA 3.48Å; S236-T261 PolarHBondContact N-O 2.79Å; S236-T261 PolarHBondContact O-N 2.93Å
237R91.8Very high74.9Confident140 Ų14083 Ų8353%0.52845%0.447SS..EExtended strand (participates in β ladder)trans-101128172.8-173.8175.868.8-174.31108.3T52 F260T52-R237 HydrophobicContact CG2-CB 4.44Å; R237-F260 HydrophobicContact CB-CD1 4.1Å; R237-F260 HydrophobicContact CB-CE1 4.15Å; R237-F260 HydrophobicContact CG-CD1 4.11Å; R237-F260 HydrophobicContact CG-CE1 3.84Å
238Q85.2Confident72.4Confident102 Ų10280.9 Ų80.948%0.47745%0.451SS..PPolyproline II helixtrans-72.5130.2173.6-165.3170.921.500108.7V259Q238-V259 HydrophobicContact CB-CB 4.25Å; Q238-V259 WeakPolarHBondContact CB-O 3.38Å; Q238-V259 PolarHBondContact N-O 3.46Å
239E75.4Confident70.1Confident171 Ų17188.5 Ų88.580%0.79949%0.485SS*.PPolyproline II helixtrans-70.5136.9171.1-65.2-174.716900109Q241E239-Q241 PolarHBondContact O-N 3.14Å
240A60.3Low67.4Low62 Ų6291.1 Ų91.151%0.51252%0.515SS..  trans-60.1115.4176.400000108.4H242A240-H242 VanDerWaalsContact C-N 3.31Å; A240-H242 PolarHBondContact O-N 3.47Å
241Q50.9Low64.9Low173 Ų17397 Ų9781%0.80856%0.556SS**  trans-68.396170.4-73.5-173.4-9.600107.6E239 N243E239-Q241 PolarHBondContact O-N 3.14Å; Q241-N243 VanDerWaalsContact C-N 3.33Å; Q241-N243 PolarHBondContact O-N 2.91Å
242H42.2Very low62.3Low172 Ų17299.5 Ų99.580%0.79658%0.583SS**  trans-69.298.3166.7-1656.4000106.7A240 P244A240-H242 VanDerWaalsContact C-N 3.31Å; A240-H242 PolarHBondContact O-N 3.47Å; H242-P244 VanDerWaalsContact O-CD 3.25Å; H242-P244 WeakPolarHBondContact O-CD 3.39Å
243N42Very low59.7Low118 Ų118106.7 Ų106.763%0.63162%0.617SS**  trans-82.7107.1175.1-147.59.6000107.2Q241 A245Q241-N243 VanDerWaalsContact C-N 3.33Å; Q241-N243 PolarHBondContact O-N 2.91Å; N243-A245 PolarHBondContact O-N 3.39Å; N243-A245 VanDerWaalsContact O-N 3.15Å
244P43.3Very low57.3Low120 Ų120115.7 Ų115.778%0.77966%0.659SS**THydrogen-bonded Turntrans-80.611.2-174.726.5-18.5000112.7H242H242-P244 VanDerWaalsContact O-CD 3.25Å; H242-P244 WeakPolarHBondContact O-CD 3.39Å
245A43.8Very low55.3Low72 Ų72121.6 Ų121.660%0.59568%0.677SS**THydrogen-bonded Turntrans-102.7-0.4-167.100000116N243N243-A245 PolarHBondContact O-N 3.39Å; N243-A245 VanDerWaalsContact O-N 3.15Å
246N42.3Very low53.6Low150 Ų150127.9 Ų127.980%0.80271%0.711SS**  trans-114.880.2174.8-79.44.5000110.5D248N246-D248 PolarHBondContact O-N 3.36Å
247G46.3Very low52.4Low80 Ų80130.4 Ų130.483%0.82571%0.712SS**  trans-79.694.114800000107.4
248D41.5Very low52.1Low151 Ų151129.2 Ų129.281%0.80771%0.712SS**  trans-157.7143.1151.5-144-0.3000111.5N246N246-D248 PolarHBondContact O-N 3.36Å
249E48.4Very low52.4Low195 Ų195125.8 Ų125.891%0.91170%0.698SS**  trans-67.9124.8-168.4-64.3177.2149.600112.3
250G39.2Very low53.3Low67 Ų67118.1 Ų118.169%0.69166%0.662SS**  trans-164.8111.3171.500000111.2G252G250-G252 PolarHBondContact O-N 3.44Å
251S40.4Very low54.9Low141 Ų141116.6 Ų116.699%0.98665%0.647SS**  trans-67.670.2178.446.80000112.9
252G40.3Very low57Low54 Ų54108.5 Ų108.556%0.55761%0.609SS**  trans-130.1117.6162.300000108.2G250 Q254G250-G252 PolarHBondContact O-N 3.44Å; G252-Q254 VanDerWaalsContact C-N 3.28Å; G252-Q254 PolarHBondContact O-N 3.11Å
253E38.6Very low59.4Low177 Ų177103.7 Ų103.783%0.82759%0.587SS**  trans-56.695.3168.2-74.8-179.4142.900108.4R255E253-R255 PolarHBondContact O-N 2.85Å
254Q45.8Very low61.8Low188 Ų18898.2 Ų98.288%0.87956%0.558SS**  trans-6783.2162.5-93.8166.2-200106.5G252 N256G252-Q254 VanDerWaalsContact C-N 3.28Å; G252-Q254 PolarHBondContact O-N 3.11Å; Q254-N256 PolarHBondContact O-N 3.24Å
255R53.1Low64.1Low165 Ų16593.9 Ų93.962%0.62353%0.53SS*.  trans-53.7110.4167.7-83-175.1173.8-165.8-2.2106.3E253 W257E253-R255 PolarHBondContact O-N 2.85Å; R255-W257 HydrophobicContact CB-CD2 4.31Å; R255-W257 HydrophobicContact CB-CG 4.46Å; R255-W257 HydrophobicContact CB-CZ2 4.08Å; R255-W257 HydrophobicContact CG-CZ2 4.38Å; R255-W257 PolarHBondContact O-N 3.41Å
256N60.1Low66.1Low132 Ų13290.9 Ų90.971%0.70651%0.505SS*.  trans-7279179-160.18.3000107.6Q254 Q258Q254-N256 PolarHBondContact O-N 3.24Å; N256-Q258 PolarHBondContact O-N 2.8Å
257W69.6Low67.8Low108 Ų10889.3 Ų89.341%0.40949%0.488SS..PPolyproline II helixtrans-68.6127.3-176.9-65.5101.5000109.3R255 V259R255-W257 HydrophobicContact CB-CD2 4.31Å; R255-W257 HydrophobicContact CB-CG 4.46Å; R255-W257 HydrophobicContact CB-CZ2 4.08Å; R255-W257 HydrophobicContact CG-CZ2 4.38Å; R255-W257 PolarHBondContact O-N 3.41Å; W257-V259 PolarHBondContact O-N 2.95Å
258Q85.7Confident69Low116 Ų11687.9 Ų87.954%0.54246%0.463SS..PPolyproline II helixtrans-68.5118.9171.8-66.9-177.6-6.800109.1N256 F260N256-Q258 PolarHBondContact O-N 2.8Å; Q258-F260 HydrophobicContact CB-CE2 4.1Å; Q258-F260 HydrophobicContact CB-CZ 4.12Å
259V90.9Very high70.1Confident29 Ų2984.5 Ų84.518%0.17646%0.463CS..EExtended strand (participates in β ladder)trans-99.5134.3176.6179.40000109.1Q238 W257 I288Q238-V259 HydrophobicContact CB-CB 4.25Å; Q238-V259 WeakPolarHBondContact CB-O 3.38Å; Q238-V259 PolarHBondContact N-O 3.46Å; W257-V259 PolarHBondContact O-N 2.95Å; V259-I288 HydrophobicContact CB-CD1 4.39Å; V259-I288 HydrophobicContact CG1-CD1 3.73Å; V259-I288 HydrophobicContact CG2-CD1 3.84Å
260F94.4Very high70.7Confident11 Ų1179.6 Ų79.65%0.04845%0.447CS..EExtended strand (participates in β ladder)trans-111.7147.3175.7-56.7-85.9000109G51 T52 S236 R237 Q258 S277 F278 V280G51-F260 WeakPolarHBondContact O-CE1 3.39Å; T52-F260 VanDerWaalsContact C-CD1 3.5Å; T52-F260 WeakPolarHBondContact O-CD1 3.43Å; S236-F260 WeakPolarHBondContact O-CA 3.48Å; R237-F260 HydrophobicContact CB-CD1 4.1Å; R237-F260 HydrophobicContact CB-CE1 4.15Å; R237-F260 HydrophobicContact CG-CD1 4.11Å; R237-F260 HydrophobicContact CG-CE1 3.84Å; Q258-F260 HydrophobicContact CB-CE2 4.1Å; Q258-F260 HydrophobicContact CB-CZ 4.12Å; F260-S277 CarbonylContact O-C 3.51Å; F260-S277 WeakPolarHBondContact O-CA 3.24Å; F260-F278 HydrophobicContact CB-CD1 4.07Å; F260-F278 HydrophobicContact CB-CD2 4.02Å; F260-F278 HydrophobicContact CB-CE1 3.68Å; F260-F278 HydrophobicContact CB-CE2 3.63Å; F260-F278 HydrophobicContact CB-CG 4.24Å; F260-F278 HydrophobicContact CB-CZ 3.44Å; F260-F278 VanDerWaalsContact CB-CZ 3.44Å; F260-F278 HydrophobicContact CD2-CD2 4.12Å; F260-F278 AromaticContact CD2-CE2 3.84Å; F260-F278 HydrophobicContact CD2-CE2 3.84Å; F260-F278 HydrophobicContact CD2-CZ 4.46Å; F260-F278 HydrophobicContact CG-CD2 4.41Å; F260-F278 AromaticContact CG-CE2 3.86Å; F260-F278 HydrophobicContact CG-CE2 3.86Å; F260-F278 HydrophobicContact CG-CZ 4.02Å; F260-F278 PolarHBondContact N-O 3.16Å; F260-F278 PolarHBondContact O-N 3.43Å; F260-V280 HydrophobicContact CD2-CG2 4Å; F260-V280 HydrophobicContact CE2-CB 4.22Å; F260-V280 HydrophobicContact CE2-CG2 3.66Å; F260-V280 HydrophobicContact CZ-CG2 4.41Å
261T94.2Very high72.3Confident30 Ų3084.7 Ų84.718%0.18445%0.45CS..EExtended strand (participates in β ladder)trans-120.7138.8175.6-61.50000109C235 S236 V275 S276 S277C235-T261 CarbonylContact C-O 3.56Å; C235-T261 WeakPolarHBondContact CA-O 3.32Å; S236-T261 PolarHBondContact N-O 2.79Å; S236-T261 PolarHBondContact O-N 2.93Å; T261-V275 HydrophobicContact CG2-CG1 3.58Å; T261-S276 CarbonylContact C-O 3.56Å; T261-S276 WeakPolarHBondContact CA-O 3.48Å; T261-S277 PolarHBondContact OG1-OG 3.24Å
262V94.8Very high73.9Confident2 Ų279.1 Ų79.11%0.01242%0.415CS..EExtended strand (participates in β ladder)trans-125.4120.7174.458.80000109.2L31 L233 V234 V275 S276 F278L31-V262 HydrophobicContact CD2-CB 4.41Å; L31-V262 HydrophobicContact CD2-CG1 3.45Å; L31-V262 VanDerWaalsContact CD2-CG1 3.45Å; L31-V262 HydrophobicContact CD2-CG2 4.18Å; L233-V262 HydrophobicContact CB-CG2 3.7Å; L233-V262 HydrophobicContact CD2-CG2 4.13Å; L233-V262 HydrophobicContact CG-CG2 4.34Å; V234-V262 WeakPolarHBondContact O-CA 3.37Å; V262-V275 WeakPolarHBondContact O-CA 3.35Å; V262-S276 WeakPolarHBondContact CG1-O 3.12Å; V262-S276 PolarHBondContact N-O 3.38Å; V262-S276 PolarHBondContact O-N 2.61Å; V262-F278 HydrophobicContact CB-CE1 4.33Å; V262-F278 HydrophobicContact CG1-CD1 4.25Å; V262-F278 HydrophobicContact CG1-CE1 4.23Å
263H93.6Very high76.1Confident71 Ų7179.8 Ų79.833%0.32941%0.411SS..EExtended strand (participates in β ladder)trans-101112.7173177.9-84.1000109L233 V234 S265 S273 V275L233-H263 WeakPolarHBondContact CA-O 3.39Å; V234-H263 HydrophobicContact CB-CB 4.42Å; V234-H263 PolarHBondContact N-O 3.03Å; V234-H263 PolarHBondContact O-N 3.48Å; H263-S265 PolarHBondContact CE1-OG 3.38Å; H263-S265 PolarHBondContact ND1-OG 2.94Å; H263-S273 PolarHBondContact CE1-OG 3.09Å; H263-S273 PolarHBondContact NE2-OG 3.46Å; H263-V275 HydrophobicContact CB-CG2 4.31Å; H263-V275 VanDerWaalsContact CD2-CG2 3.41Å; H263-V275 WeakPolarHBondContact CD2-CG2 3.43Å
264C92.2Very high78.5Confident3 Ų374.5 Ų74.52%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-87.6134.2174.3-177.80000110.5L31 F32 R232 L233 S273 R274L31-C264 WeakPolarHBondContact O-CB 3.44Å; F32-C264 VanDerWaalsContact CD1-SG 3.59Å; R232-C264 CarbonylContact O-C 3.52Å; R232-C264 VanDerWaalsContact O-CA 3.31Å; R232-C264 WeakPolarHBondContact O-CA 3.39Å; L233-C264 HydrophobicContact CD2-CB 3.42Å; L233-C264 VanDerWaalsContact CD2-CB 3.42Å; L233-C264 VanDerWaalsContact CD2-SG 3.56Å; C264-S273 VanDerWaalsContact O-CA 3.23Å; C264-S273 WeakPolarHBondContact O-CA 3.48Å; C264-S273 PolarHBondContact O-OG 3.32Å; C264-R274 HydrophobicContact CB-CB 4.45Å; C264-R274 PolarHBondContact N-O 3.05Å; C264-R274 PolarHBondContact O-N 2.92Å; C264-R274 VanDerWaalsContact O-N 3.16Å
265S90.8Very high80.7Confident29 Ų2969 Ų6920%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-128.7128167-61.70000109.4H231 R232 H263H231-S265 CarbonylContact C-O 3.58Å; H231-S265 WeakPolarHBondContact CA-O 3.2Å; R232-S265 PolarHBondContact N-O 3.41Å; R232-S265 PolarHBondContact O-N 3.28Å; H263-S265 PolarHBondContact CE1-OG 3.38Å; H263-S265 PolarHBondContact ND1-OG 2.94Å
266S86.3Confident82.6Confident9 Ų961.6 Ų61.66%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-113138.8174.3-175.80000111H231 T268 G272H231-S266 VanDerWaalsContact CD2-CB 3.43Å; H231-S266 WeakPolarHBondContact CD2-CB 3.4Å; H231-S266 PolarHBondContact CD2-OG 2.89Å; H231-S266 VanDerWaalsContact CD2-OG 3.29Å; H231-S266 PolarHBondContact NE2-OG 2.79Å; S266-T268 PolarHBondContact OG-O 2.92Å; S266-T268 VanDerWaalsContact OG-O 3.04Å; S266-G272 PolarHBondContact N-O 3.17Å
267W78.4Confident84.2Confident118 Ų11856.2 Ų56.245%0.44731%0.309SS..  trans-112.9-5177.1-44.3-74.8000113.2V229 T230 R232V229-W267 HydrophobicContact CB-CZ3 4.42Å; V229-W267 HydrophobicContact CG1-CH2 3.78Å; V229-W267 HydrophobicContact CG1-CZ3 3.45Å; V229-W267 VanDerWaalsContact CG1-CZ3 3.45Å; V229-W267 WeakPolarHBondContact O-CZ3 3.48Å; T230-W267 VanDerWaalsContact C-CZ3 3.48Å; T230-W267 PolarHBondContact O-N 2.79Å; T230-W267 VanDerWaalsContact O-N 3.1Å; R232-W267 HydrophobicContact CB-CH2 3.44Å; R232-W267 VanDerWaalsContact CB-CH2 3.44Å; R232-W267 HydrophobicContact CB-CZ2 3.99Å; R232-W267 HydrophobicContact CB-CZ3 4.3Å
268T69.9Low85.4Confident50 Ų5051 Ų5131%0.30729%0.289SS..SBendtrans-114.4149.4176.854.90000110.3E42 T230 S266E42-T268 WeakPolarHBondContact OE1-CB 3.26Å; E42-T268 PolarHBondContact OE1-OG1 3.25Å; T230-T268 HydrophobicContact CG2-CG2 3.88Å; S266-T268 PolarHBondContact OG-O 2.92Å; S266-T268 VanDerWaalsContact OG-O 3.04Å
269G65.6Low85.8Confident79 Ų7949.6 Ų49.681%0.81428%0.279SS*.SBendtrans65.7-134.9-176.400000113.6K271G269-K271 PolarHBondContact O-N 3.14Å; G269-K271 VanDerWaalsContact O-N 3.12Å
270T60.6Low86Confident92 Ų9250.1 Ų50.156%0.56428%0.282SS*.SBendtrans-74.698.4178.2-28.20000109.2G272T270-G272 PolarHBondContact O-N 3.19Å
271K72.4Confident85.9Confident174 Ų17450.5 Ų50.576%0.75729%0.285SS*.  trans-53.1116.4175.2-70.7-177.1-179.2178.40109.4G269G269-K271 PolarHBondContact O-N 3.14Å; G269-K271 VanDerWaalsContact O-N 3.12Å
272G75.3Confident85.6Confident24 Ų2455.3 Ų55.325%0.24731%0.31CS..  trans-150.2147-175.600000110.4S266 T270S266-G272 PolarHBondContact N-O 3.17Å; T270-G272 PolarHBondContact O-N 3.19Å
273S84.8Confident85.4Confident69 Ų6956 Ų5648%0.48332%0.317SS..EExtended strand (participates in β ladder)trans-115.6142.3165.5172.20000108.9H263 C264H263-S273 PolarHBondContact CE1-OG 3.09Å; H263-S273 PolarHBondContact NE2-OG 3.46Å; C264-S273 VanDerWaalsContact O-CA 3.23Å; C264-S273 WeakPolarHBondContact O-CA 3.48Å; C264-S273 PolarHBondContact O-OG 3.32Å
274R89.2Confident85.4Confident65 Ų6552.6 Ų52.625%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-136.7135.5173.1-174.3172.1-168.9142.44.7109.3P29 R30 F32 D34 C264P29-R274 PolarHBondContact O-NH1 3.07Å; R30-R274 PolarHBondContact O-NE 3.2Å; F32-R274 WeakPolarHBondContact O-CD 3.43Å; F32-R274 PolarHBondContact O-NH1 2.74Å; D34-R274 IonicContact OD1-NH1 2.78Å; C264-R274 HydrophobicContact CB-CB 4.45Å; C264-R274 PolarHBondContact N-O 3.05Å; C264-R274 PolarHBondContact O-N 2.92Å; C264-R274 VanDerWaalsContact O-N 3.16Å
275V91.9Very high85.6Confident74 Ų7452.5 Ų52.545%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-110.9129.6171.1-178.10000108.6T261 V262 H263T261-V275 HydrophobicContact CG2-CG1 3.58Å; V262-V275 WeakPolarHBondContact O-CA 3.35Å; H263-V275 HydrophobicContact CB-CG2 4.31Å; H263-V275 VanDerWaalsContact CD2-CG2 3.41Å; H263-V275 WeakPolarHBondContact CD2-CG2 3.43Å
276S93.4Very high85.7Confident8 Ų854.2 Ų54.26%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-133.4147.1177.7-660000110.1R30 T261 V262R30-S276 WeakPolarHBondContact O-CB 3.48Å; R30-S276 PolarHBondContact O-OG 2.83Å; T261-S276 CarbonylContact C-O 3.56Å; T261-S276 WeakPolarHBondContact CA-O 3.48Å; V262-S276 WeakPolarHBondContact CG1-O 3.12Å; V262-S276 PolarHBondContact N-O 3.38Å; V262-S276 PolarHBondContact O-N 2.61Å
277S94.5Very high86Confident19 Ų1955 Ų5513%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-115.2145.6175-61.80000109.7F260 T261 F287 I288F260-S277 CarbonylContact O-C 3.51Å; F260-S277 WeakPolarHBondContact O-CA 3.24Å; T261-S277 PolarHBondContact OG1-OG 3.24Å; S277-F287 CarbonylContact O-C 3.52Å; S277-F287 WeakPolarHBondContact O-CA 3.5Å; S277-I288 PolarHBondContact O-N 3.42Å
278F94.9Very high86.6Confident0 Ų052.7 Ų52.70%030%0.304CS..EExtended strand (participates in β ladder)trans-144.8161.1177.667.4-90000111.1F260 V262 V280 V285 E286 F287F260-F278 HydrophobicContact CB-CD1 4.07Å; F260-F278 HydrophobicContact CB-CD2 4.02Å; F260-F278 HydrophobicContact CB-CE1 3.68Å; F260-F278 HydrophobicContact CB-CE2 3.63Å; F260-F278 HydrophobicContact CB-CG 4.24Å; F260-F278 HydrophobicContact CB-CZ 3.44Å; F260-F278 VanDerWaalsContact CB-CZ 3.44Å; F260-F278 HydrophobicContact CD2-CD2 4.12Å; F260-F278 AromaticContact CD2-CE2 3.84Å; F260-F278 HydrophobicContact CD2-CE2 3.84Å; F260-F278 HydrophobicContact CD2-CZ 4.46Å; F260-F278 HydrophobicContact CG-CD2 4.41Å; F260-F278 AromaticContact CG-CE2 3.86Å; F260-F278 HydrophobicContact CG-CE2 3.86Å; F260-F278 HydrophobicContact CG-CZ 4.02Å; F260-F278 PolarHBondContact N-O 3.16Å; F260-F278 PolarHBondContact O-N 3.43Å; V262-F278 HydrophobicContact CB-CE1 4.33Å; V262-F278 HydrophobicContact CG1-CD1 4.25Å; V262-F278 HydrophobicContact CG1-CE1 4.23Å; F278-V280 HydrophobicContact CD2-CG2 4.38Å; F278-V280 HydrophobicContact CE2-CG2 4.08Å; F278-V285 HydrophobicContact CB-CG1 3.76Å; F278-V285 HydrophobicContact CD2-CB 4.42Å; F278-V285 HydrophobicContact CD2-CG1 3.64Å; F278-V285 HydrophobicContact CD2-CG2 4.12Å; F278-V285 HydrophobicContact CE2-CG1 4.39Å; F278-V285 HydrophobicContact CE2-CG2 4.18Å; F278-V285 HydrophobicContact CG-CG1 3.78Å; F278-E286 CarbonylContact C-O 3.59Å; F278-E286 WeakPolarHBondContact CA-O 3.22Å; F278-E286 WeakPolarHBondContact CB-O 3.31Å; F278-F287 HydrophobicContact CB-CD1 4.05Å; F278-F287 HydrophobicContact CB-CE1 4.35Å; F278-F287 HydrophobicContact CB-CG 4.31Å; F278-F287 HydrophobicContact CD1-CE1 4.42Å
279R94.4Very high86.5Confident86 Ų8660.3 Ų60.333%0.32533%0.327SS..EExtended strand (participates in β ladder)trans-116.6157.4167.862.8179.3-176.5-171.41.3109.5T281 E286R279-T281 HydrophobicContact CG-CG2 3.97Å; R279-E286 HydrophobicContact CG-CB 3.97Å; R279-E286 IonicContact CZ-OE2 2.73Å; R279-E286 PolarHBondContact N-O 3.26Å; R279-E286 IonicContact NE-OE2 2.9Å; R279-E286 PolarHBondContact NE-OE2 3.26Å; R279-E286 IonicContact NH2-OE2 3.53Å; R279-E286 PolarHBondContact NH2-OE2 3.32Å; R279-E286 PolarHBondContact O-N 2.98Å
280V93.4Very high86Confident40 Ų4060 Ų6024%0.24231%0.31CS..EExtended strand (participates in β ladder)trans-102.1121.9172.7178.30000107.6E56 R91 F260 F278E56-V280 HydrophobicContact CB-CG1 4.48Å; E56-V280 HydrophobicContact CB-CG2 3.97Å; E56-V280 HydrophobicContact CG-CG1 3.8Å; E56-V280 HydrophobicContact CG-CG2 3.96Å; E56-V280 WeakPolarHBondContact OE2-CG1 3.26Å; R91-V280 VanDerWaalsContact NH2-CG1 3.27Å; F260-V280 HydrophobicContact CD2-CG2 4Å; F260-V280 HydrophobicContact CE2-CB 4.22Å; F260-V280 HydrophobicContact CE2-CG2 3.66Å; F260-V280 HydrophobicContact CZ-CG2 4.41Å; F278-V280 HydrophobicContact CD2-CG2 4.38Å; F278-V280 HydrophobicContact CE2-CG2 4.08Å
281T93.1Very high85.2Confident18 Ų1859.5 Ų59.511%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-118.7179.8177.170.50000110.2R91 R279 G283 G284 E286R91-T281 PolarHBondContact NH1-O 2.92Å; R91-T281 PolarHBondContact NH2-O 2.77Å; R279-T281 HydrophobicContact CG-CG2 3.97Å; T281-G283 PolarHBondContact O-N 3.02Å; T281-G283 PolarHBondContact OG1-N 2.9Å; T281-G284 PolarHBondContact N-O 2.76Å; T281-G284 PolarHBondContact O-N 3.06Å; T281-G284 PolarHBondContact OG1-O 2.82Å; T281-E286 VanDerWaalsContact CG2-CD 3.48Å; T281-E286 HydrophobicContact CG2-CG 4.27Å; T281-E286 WeakPolarHBondContact CG2-OE1 3.43Å; T281-E286 PolarHBondContact OG1-OE1 3.45Å
282D88.5Confident83.8Confident131 Ų13159.9 Ų59.970%0.70131%0.305SS*.THydrogen-bonded Turntrans-60.3-32.5173.8-63.2-31.4000111.9R91 G284R91-D282 PolarHBondContact NH1-O 3.41Å; D282-G284 VanDerWaalsContact C-N 3.26Å; D282-G284 PolarHBondContact O-N 3.27Å
283G90.4Very high82.1Confident16 Ų1664.1 Ų64.117%0.16533%0.327CS..THydrogen-bonded Turntrans-83.611.6174.600000115.2T281T281-G283 PolarHBondContact O-N 3.02Å; T281-G283 PolarHBondContact OG1-N 2.9Å
284G93.8Very high79.6Confident1 Ų166 Ų661%0.0134%0.338CS..EExtended strand (participates in β ladder)trans92.6-146.1177.400000113.9T281 D282T281-G284 PolarHBondContact N-O 2.76Å; T281-G284 PolarHBondContact O-N 3.06Å; T281-G284 PolarHBondContact OG1-O 2.82Å; D282-G284 VanDerWaalsContact C-N 3.26Å; D282-G284 PolarHBondContact O-N 3.27Å
285V95.2Very high77.3Confident1 Ų168.5 Ų68.51%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-77129.3-177.6173.60000111.4E56 H60 R99 F278 F287E56-V285 HydrophobicContact CB-CG2 4.12Å; E56-V285 WeakPolarHBondContact O-CG2 3.31Å; H60-V285 HydrophobicContact CB-CB 3.77Å; H60-V285 HydrophobicContact CB-CG2 3.84Å; R99-V285 PolarHBondContact NH1-O 2.92Å; R99-V285 VanDerWaalsContact NH1-O 3.15Å; F278-V285 HydrophobicContact CB-CG1 3.76Å; F278-V285 HydrophobicContact CD2-CB 4.42Å; F278-V285 HydrophobicContact CD2-CG1 3.64Å; F278-V285 HydrophobicContact CD2-CG2 4.12Å; F278-V285 HydrophobicContact CE2-CG1 4.39Å; F278-V285 HydrophobicContact CE2-CG2 4.18Å; F278-V285 HydrophobicContact CG-CG1 3.78Å; V285-F287 HydrophobicContact CG1-CD2 4.12Å; V285-F287 HydrophobicContact CG1-CE2 3.81Å; V285-F287 HydrophobicContact CG1-CZ 4.21Å
286E93.7Very high74.9Confident65 Ų6571 Ų7130%0.30437%0.374SS..EExtended strand (participates in β ladder)trans-123.3114171.7-71.3174.3-15600110F278 R279 T281F278-E286 CarbonylContact C-O 3.59Å; F278-E286 WeakPolarHBondContact CA-O 3.22Å; F278-E286 WeakPolarHBondContact CB-O 3.31Å; R279-E286 HydrophobicContact CG-CB 3.97Å; R279-E286 IonicContact CZ-OE2 2.73Å; R279-E286 PolarHBondContact N-O 3.26Å; R279-E286 IonicContact NE-OE2 2.9Å; R279-E286 PolarHBondContact NE-OE2 3.26Å; R279-E286 IonicContact NH2-OE2 3.53Å; R279-E286 PolarHBondContact NH2-OE2 3.32Å; R279-E286 PolarHBondContact O-N 2.98Å; T281-E286 VanDerWaalsContact CG2-CD 3.48Å; T281-E286 HydrophobicContact CG2-CG 4.27Å; T281-E286 WeakPolarHBondContact CG2-OE1 3.43Å; T281-E286 PolarHBondContact OG1-OE1 3.45Å
287F92.6Very high72.5Confident26 Ų2678 Ų7811%0.11441%0.41CS..EExtended strand (participates in β ladder)trans-73.3133.4176.4-71.3-90.7000111E28 R30 L31 L57 H60 S277 F278 V285E28-F287 HydrophobicContact CG-CE2 3.76Å; E28-F287 HydrophobicContact CG-CZ 3.88Å; R30-F287 HydrophobicContact CB-CB 4.45Å; R30-F287 HydrophobicContact CB-CD1 3.93Å; R30-F287 HydrophobicContact CB-CD2 4.24Å; R30-F287 HydrophobicContact CB-CE1 4.22Å; R30-F287 HydrophobicContact CB-CG 3.94Å; R30-F287 HydrophobicContact CB-CZ 4.5Å; R30-F287 VanDerWaalsContact NE-CD2 3.34Å; L31-F287 HydrophobicContact CD1-CZ 4.33Å; L31-F287 HydrophobicContact CD2-CE1 3.63Å; L31-F287 HydrophobicContact CD2-CZ 3.58Å; L31-F287 HydrophobicContact CG-CE1 4.08Å; L31-F287 HydrophobicContact CG-CZ 3.66Å; L57-F287 HydrophobicContact CD1-CZ 4.28Å; H60-F287 AromaticContact CE1-CE2 3.99Å; H60-F287 AromaticContact NE2-CE2 3.69Å; S277-F287 CarbonylContact O-C 3.52Å; S277-F287 WeakPolarHBondContact O-CA 3.5Å; F278-F287 HydrophobicContact CB-CD1 4.05Å; F278-F287 HydrophobicContact CB-CE1 4.35Å; F278-F287 HydrophobicContact CB-CG 4.31Å; F278-F287 HydrophobicContact CD1-CE1 4.42Å; V285-F287 HydrophobicContact CG1-CD2 4.12Å; V285-F287 HydrophobicContact CG1-CE2 3.81Å; V285-F287 HydrophobicContact CG1-CZ 4.21Å
288I90.3Very high70Confident69 Ų6981.6 Ų81.635%0.35444%0.435SS..EExtended strand (participates in β ladder)trans-85.5130.6175.7-55168.1000107V259 S277 T290V259-I288 HydrophobicContact CB-CD1 4.39Å; V259-I288 HydrophobicContact CG1-CD1 3.73Å; V259-I288 HydrophobicContact CG2-CD1 3.84Å; S277-I288 PolarHBondContact O-N 3.42Å; I288-T290 PolarHBondContact O-N 2.98Å; I288-T290 VanDerWaalsContact O-N 3.15Å
289W68.9Low67.6Low210 Ų21086 Ų8680%0.79547%0.471SS*.  trans-67.4113.6177.4-172.983.6000109.6P291W289-P291 HydrophobicContact CE3-CB 4.26Å; W289-P291 HydrophobicContact CE3-CG 4.16Å; W289-P291 HydrophobicContact CH2-CB 3.49Å; W289-P291 VanDerWaalsContact CH2-CB 3.49Å; W289-P291 HydrophobicContact CH2-CG 4.17Å; W289-P291 HydrophobicContact CZ2-CB 4.28Å; W289-P291 HydrophobicContact CZ3-CB 3.47Å; W289-P291 VanDerWaalsContact CZ3-CB 3.47Å; W289-P291 HydrophobicContact CZ3-CG 3.6Å
290T54.7Low65.2Low73 Ų7387.7 Ų87.745%0.44849%0.491SS..PPolyproline II helixtrans-93.9118.7165.647.80000107.9I288 R292I288-T290 PolarHBondContact O-N 2.98Å; I288-T290 VanDerWaalsContact O-N 3.15Å; T290-R292 PolarHBondContact O-N 3.18Å
291P44Very low62.4Low80 Ų8097.5 Ų97.552%0.51954%0.54SS..PPolyproline II helixtrans-57132.7167.811.9-15.4000108.2W289W289-P291 HydrophobicContact CE3-CB 4.26Å; W289-P291 HydrophobicContact CE3-CG 4.16Å; W289-P291 HydrophobicContact CH2-CB 3.49Å; W289-P291 VanDerWaalsContact CH2-CB 3.49Å; W289-P291 HydrophobicContact CH2-CG 4.17Å; W289-P291 HydrophobicContact CZ2-CB 4.28Å; W289-P291 HydrophobicContact CZ3-CB 3.47Å; W289-P291 VanDerWaalsContact CZ3-CB 3.47Å; W289-P291 HydrophobicContact CZ3-CG 3.6Å
292R43.8Very low60.8Low183 Ų183101.5 Ų101.569%0.69156%0.562SS**PPolyproline II helixtrans-55128.1164.2-72.3-175.2-178.4-169.9-1.2106.3D34 T290D34-R292 IonicContact OD1-NH2 3.16Å; D34-R292 IonicContact OD2-CZ 2.63Å; D34-R292 IonicContact OD2-NH2 2.78Å; D34-R292 PolarHBondContact OD2-NH2 2.99Å; T290-R292 PolarHBondContact O-N 3.18Å
293P38.4Very low59.4Low112 Ų11299.9 Ų99.973%0.72756%0.555SS**PPolyproline II helixtrans-55.7135.7167.223-29.8000107.2
294P32.8Very low57.7Low109 Ų109104.6 Ų104.671%0.70858%0.576SS**PPolyproline II helixtrans-54.9143.2175.922.8-31.2000108.7D296P294-D296 PolarHBondContact O-N 3.41Å
295P39.9Very low55.5Low118 Ų118110.6 Ų110.677%0.76661%0.61SS**PPolyproline II helixtrans-54.2128.9174.523-31.4000108.3L297P295-L297 PolarHBondContact O-N 3.43Å
296D43Very low53.1Low127 Ų127117.5 Ų117.568%0.67965%0.647SS**  trans-54.8109.1-177.5-160.2-17.6000109.1P294 S298P294-D296 PolarHBondContact O-N 3.41Å; D296-S298 PolarHBondContact O-N 3.44Å; D296-S298 VanDerWaalsContact O-N 3.13Å; D296-S298 WeakPolarHBondContact OD1-CB 3.25Å; D296-S298 PolarHBondContact OD1-N 2.71Å; D296-S298 PolarHBondContact OD1-OG 2.79Å; D296-S298 PolarHBondContact OD2-OG 3.15Å
297L42.9Very low50.4Low155 Ų155121 Ų12181%0.81267%0.67SS**G310 helixtrans-71.83.6179.1-82.3163.6000112.2P295 A299P295-L297 PolarHBondContact O-N 3.43Å; L297-A299 PolarHBondContact O-N 2.86Å
298S42.3Very low47.3Very low93 Ų93127.8 Ų127.865%0.6571%0.71SS**G310 helixtrans-75.5-1.7177.861.20000114.9D296D296-S298 PolarHBondContact O-N 3.44Å; D296-S298 VanDerWaalsContact O-N 3.13Å; D296-S298 WeakPolarHBondContact OD1-CB 3.25Å; D296-S298 PolarHBondContact OD1-N 2.71Å; D296-S298 PolarHBondContact OD1-OG 2.79Å; D296-S298 PolarHBondContact OD2-OG 3.15Å
299A44.6Very low44Very low93 Ų93132.3 Ų132.377%0.76974%0.737SS**G310 helixtrans-959.7174.900000114.8L297L297-A299 PolarHBondContact O-N 2.86Å
300V42.2Very low42Very low122 Ų122125.8 Ų125.874%0.73973%0.733SS**  trans-132.483.1169.1-173.70000108.8
301L35.3Very low40.8Very low245 Ų245130.6 Ų130.6100%1.28376%0.758SS**  trans-167.80143.9-96.8173.1000109.3

Retrieved 301 of 301 residues in 548.9 ms (Link to these results)

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