A0A077ZC29_TRITR Loading...

Protein kcc

AlphaFold DB , UniProt , Accession A0A077ZC29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 948 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
1M83.6Confident92.1Very high65 Ų6531 Ų3132%0.3218%0.176SC..  0151.70-61168.5-156.900109.8V144 N319 L320 K321M1-V144 HydrophobicContact CE-CB 3.64Å; M1-V144 HydrophobicContact CE-CG1 3.38Å; M1-V144 HydrophobicContact CE-CG2 4.33Å; M1-V144 HydrophobicContact SD-CG1 4.1Å; M1-N319 HydrophobicContact CE-CB 3.62Å; M1-N319 PolarHBondContact N-O 3.11Å; M1-N319 HydrophobicContact SD-CB 4.15Å; M1-L320 HydrophobicContact CB-CD2 4.29Å; M1-K321 PolarHBondContact O-N 3.4Å
2G90.1Very high92.3Very high42 Ų4228.5 Ų28.543%0.43316%0.162SC..  trans-86.2178.8173.300000112.9F4 G6G2-F4 PolarHBondContact O-N 3.15Å; G2-G6 WeakPolarHBondContact O-CA 3.4Å; G2-G6 PolarHBondContact O-N 3.35Å
3T93.8Very high92.3Very high37 Ų3726.6 Ų26.623%0.22715%0.151CC..Hα-helixtrans-60.2-44.9-177.3-52.40000113.7V7 F8 S326 I329T3-V7 WeakPolarHBondContact O-CB 3.33Å; T3-V7 PolarHBondContact O-N 3.46Å; T3-F8 PolarHBondContact O-N 3.43Å; T3-F8 VanDerWaalsContact O-N 3.16Å; T3-S326 WeakPolarHBondContact CG2-O 3.42Å; T3-S326 PolarHBondContact OG1-OG 3.1Å; T3-I329 HydrophobicContact CG2-CB 3.91Å; T3-I329 HydrophobicContact CG2-CG2 3.89Å
4F93.1Very high92.3Very high113 Ų11324.7 Ų24.750%0.49614%0.14SC..Iπ-helixtrans-64.5-62.4-176.9-175.8-103.1000111.8G2 G6 F8 M9 L152G2-F4 PolarHBondContact O-N 3.15Å; F4-G6 PolarHBondContact O-N 2.98Å; F4-F8 HydrophobicContact CD2-CB 4.46Å; F4-F8 AromaticContact CD2-CD1 3.48Å; F4-F8 HydrophobicContact CD2-CD1 3.48Å; F4-F8 VanDerWaalsContact CD2-CD1 3.48Å; F4-F8 HydrophobicContact CD2-CE1 4.05Å; F4-F8 HydrophobicContact CD2-CG 4.2Å; F4-F8 AromaticContact CE2-CD1 3.34Å; F4-F8 HydrophobicContact CE2-CD1 3.34Å; F4-F8 AromaticContact CE2-CE1 3.45Å; F4-F8 HydrophobicContact CE2-CE1 3.45Å; F4-F8 VanDerWaalsContact CE2-CE1 3.45Å; F4-F8 HydrophobicContact CE2-CG 4.42Å; F4-F8 HydrophobicContact CG-CD1 4.44Å; F4-F8 HydrophobicContact CZ-CD1 4.2Å; F4-F8 HydrophobicContact CZ-CE1 4.24Å; F4-F8 PolarHBondContact O-N 3.42Å; F4-M9 WeakPolarHBondContact O-CB 3.44Å; F4-M9 PolarHBondContact O-N 2.88Å; F4-L152 HydrophobicContact CE1-CD1 4.35Å
5V91.9Very high92.3Very high55 Ų5523.1 Ų23.133%0.33313%0.131SC..Iπ-helixtrans-68.8-33.2-177.9178.90000112.7M9 P10 N148V5-M9 HydrophobicContact CB-SD 4.47Å; V5-M9 HydrophobicContact CG1-SD 4.3Å; V5-M9 HydrophobicContact CG2-SD 4.49Å; V5-P10 WeakPolarHBondContact O-CD 3.42Å; V5-N148 HydrophobicContact CG1-CB 3.86Å; V5-N148 WeakPolarHBondContact CG1-ND2 3.1Å
6G90.8Very high92.1Very high0 Ų021.8 Ų21.80%012%0.124CC..Iπ-helixtrans-84.3-29.2-173.400000114.7G2 F4G2-G6 WeakPolarHBondContact O-CA 3.4Å; G2-G6 PolarHBondContact O-N 3.35Å; F4-G6 PolarHBondContact O-N 2.98Å
7V94.7Very high91.4Very high0 Ų020.6 Ų20.60%012%0.117CC..Iπ-helixtrans-128.6-63.8-172.1-176.30000112.1T3 M9 P10 C11 L320 I327T3-V7 WeakPolarHBondContact O-CB 3.33Å; T3-V7 PolarHBondContact O-N 3.46Å; V7-M9 VanDerWaalsContact C-N 3.35Å; V7-M9 PolarHBondContact O-N 3.28Å; V7-P10 WeakPolarHBondContact O-CD 3.49Å; V7-C11 PolarHBondContact O-N 3.46Å; V7-C11 VanDerWaalsContact O-N 3.13Å; V7-C11 PolarHBondContact O-SG 3.48Å; V7-L320 HydrophobicContact CG2-CD1 3.54Å; V7-L320 HydrophobicContact CG2-CD2 3.79Å; V7-L320 HydrophobicContact CG2-CG 4.35Å; V7-I327 HydrophobicContact CG2-CG1 4.49Å
8F95.1Very high90.6Very high27 Ų2719.9 Ų19.912%0.11811%0.113CC..Iπ-helixtrans-54.4-52.4-174.2170.3-97.6000111.8T3 F4 C11 V12 A333 A334 I337T3-F8 PolarHBondContact O-N 3.43Å; T3-F8 VanDerWaalsContact O-N 3.16Å; F4-F8 HydrophobicContact CD2-CB 4.46Å; F4-F8 AromaticContact CD2-CD1 3.48Å; F4-F8 HydrophobicContact CD2-CD1 3.48Å; F4-F8 VanDerWaalsContact CD2-CD1 3.48Å; F4-F8 HydrophobicContact CD2-CE1 4.05Å; F4-F8 HydrophobicContact CD2-CG 4.2Å; F4-F8 AromaticContact CE2-CD1 3.34Å; F4-F8 HydrophobicContact CE2-CD1 3.34Å; F4-F8 AromaticContact CE2-CE1 3.45Å; F4-F8 HydrophobicContact CE2-CE1 3.45Å; F4-F8 VanDerWaalsContact CE2-CE1 3.45Å; F4-F8 HydrophobicContact CE2-CG 4.42Å; F4-F8 HydrophobicContact CG-CD1 4.44Å; F4-F8 HydrophobicContact CZ-CD1 4.2Å; F4-F8 HydrophobicContact CZ-CE1 4.24Å; F4-F8 PolarHBondContact O-N 3.42Å; F8-C11 PolarHBondContact O-N 3.15Å; F8-V12 HydrophobicContact CD1-CG2 4.39Å; F8-V12 HydrophobicContact CD2-CG2 4.07Å; F8-V12 HydrophobicContact CE1-CG2 4.02Å; F8-V12 HydrophobicContact CE2-CG2 3.67Å; F8-V12 HydrophobicContact CG-CG2 4.42Å; F8-V12 HydrophobicContact CZ-CG2 3.65Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 3.19Å; F8-A333 HydrophobicContact CD2-CB 3.86Å; F8-A333 HydrophobicContact CE2-CB 4.1Å; F8-A334 HydrophobicContact CD2-CB 3.89Å; F8-A334 HydrophobicContact CE2-CB 4.28Å; F8-I337 HydrophobicContact CE2-CD1 3.67Å; F8-I337 HydrophobicContact CZ-CD1 3.76Å
9M92.5Very high90.3Very high2 Ų219.2 Ų19.21%0.0111%0.109CC..Hα-helixtrans-62.7-51.1-173.8177.3-169.6163.100112.3F4 V5 V7 C11 V12 Q13 N148 A151 L152 I155F4-M9 WeakPolarHBondContact O-CB 3.44Å; F4-M9 PolarHBondContact O-N 2.88Å; V5-M9 HydrophobicContact CB-SD 4.47Å; V5-M9 HydrophobicContact CG1-SD 4.3Å; V5-M9 HydrophobicContact CG2-SD 4.49Å; V7-M9 VanDerWaalsContact C-N 3.35Å; V7-M9 PolarHBondContact O-N 3.28Å; M9-C11 VanDerWaalsContact C-N 3.33Å; M9-C11 PolarHBondContact O-N 3.06Å; M9-V12 PolarHBondContact O-N 3.04Å; M9-Q13 WeakPolarHBondContact O-CB 3.28Å; M9-Q13 PolarHBondContact O-N 2.89Å; M9-N148 WeakPolarHBondContact CE-O 3.29Å; M9-A151 HydrophobicContact CE-CB 3.26Å; M9-L152 HydrophobicContact CE-CB 3.77Å; M9-L152 HydrophobicContact CE-CD1 4.42Å; M9-L152 HydrophobicContact SD-CD1 4.31Å; M9-I155 HydrophobicContact CB-CD1 4.06Å; M9-I155 HydrophobicContact CE-CD1 3.66Å; M9-I155 HydrophobicContact CG-CD1 2.99Å; M9-I155 HydrophobicContact CG-CG1 4.42Å; M9-I155 WeakPolarHBondContact O-CD1 3.2Å; M9-I155 HydrophobicContact SD-CD1 4.2Å
10P93.3Very high90.2Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-56.1-40.5171.2-30.536.7000114.8V5 V7 N14 Q312 R316V5-P10 WeakPolarHBondContact O-CD 3.42Å; V7-P10 WeakPolarHBondContact O-CD 3.49Å; P10-N14 WeakPolarHBondContact O-CB 3.38Å; P10-N14 PolarHBondContact O-N 3.44Å; P10-N14 VanDerWaalsContact O-N 3.15Å; P10-Q312 HydrophobicContact CB-CB 4.09Å; P10-R316 VanDerWaalsContact CG-NH1 3.27Å
11C94.7Very high90.1Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-66.4-49.3179.7-66.90000111.1V7 F8 M9 Q13 N14 I15 I310 G313 A334V7-C11 PolarHBondContact O-N 3.46Å; V7-C11 VanDerWaalsContact O-N 3.13Å; V7-C11 PolarHBondContact O-SG 3.48Å; F8-C11 PolarHBondContact O-N 3.15Å; M9-C11 VanDerWaalsContact C-N 3.33Å; M9-C11 PolarHBondContact O-N 3.06Å; C11-Q13 PolarHBondContact O-N 3.1Å; C11-N14 PolarHBondContact O-N 3.21Å; C11-I15 WeakPolarHBondContact O-CB 3.44Å; C11-I15 WeakPolarHBondContact O-CD1 3.39Å; C11-I15 VanDerWaalsContact O-CG1 3.23Å; C11-I15 WeakPolarHBondContact O-CG1 3.41Å; C11-I15 PolarHBondContact O-N 2.93Å; C11-I310 PolarHBondContact SG-O 3.07Å; C11-I310 VanDerWaalsContact SG-O 3.33Å; C11-G313 PolarHBondContact SG-N 3.27Å; C11-G313 VanDerWaalsContact SG-N 3.42Å; C11-A334 HydrophobicContact CB-CB 3.55Å
12V94Very high90.1Very high1 Ų114.7 Ų14.71%0.0069%0.085CC..Hα-helixtrans-60-46.1178.3172.30000111.2F8 M9 N14 I15 F16 A334 T338F8-V12 HydrophobicContact CD1-CG2 4.39Å; F8-V12 HydrophobicContact CD2-CG2 4.07Å; F8-V12 HydrophobicContact CE1-CG2 4.02Å; F8-V12 HydrophobicContact CE2-CG2 3.67Å; F8-V12 HydrophobicContact CG-CG2 4.42Å; F8-V12 HydrophobicContact CZ-CG2 3.65Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 3.19Å; M9-V12 PolarHBondContact O-N 3.04Å; V12-N14 VanDerWaalsContact C-N 3.28Å; V12-N14 PolarHBondContact O-N 2.84Å; V12-I15 PolarHBondContact O-N 3.22Å; V12-F16 HydrophobicContact CG1-CD2 3.46Å; V12-F16 VanDerWaalsContact CG1-CD2 3.46Å; V12-F16 HydrophobicContact CG1-CE2 3.74Å; V12-F16 PolarHBondContact O-N 3.01Å; V12-A334 HydrophobicContact CG2-CB 3.61Å; V12-T338 HydrophobicContact CG2-CG2 4.36Å
13Q92.3Very high90Very high4 Ų414.5 Ų14.52%0.0197%0.072CC..Hα-helixtrans-63.8-34.7-178.5-164.5173.25.900113.1M9 C11 I155 Q397M9-Q13 WeakPolarHBondContact O-CB 3.28Å; M9-Q13 PolarHBondContact O-N 2.89Å; C11-Q13 PolarHBondContact O-N 3.1Å; Q13-I155 HydrophobicContact CB-CD1 3.63Å; Q13-I155 HydrophobicContact CB-CG1 3.63Å; Q13-I155 HydrophobicContact CG-CD1 4.08Å; Q13-I155 HydrophobicContact CG-CG1 3.7Å; Q13-Q397 HydrophobicContact CB-CG 4.06Å; Q13-Q397 HydrophobicContact CG-CG 4.23Å
14N92.1Very high90Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-76.3-33.4177.4-165.282.6000112.6P10 C11 V12 G309 Q312 A394 Q397 C398P10-N14 WeakPolarHBondContact O-CB 3.38Å; P10-N14 PolarHBondContact O-N 3.44Å; P10-N14 VanDerWaalsContact O-N 3.15Å; C11-N14 PolarHBondContact O-N 3.21Å; V12-N14 VanDerWaalsContact C-N 3.28Å; V12-N14 PolarHBondContact O-N 2.84Å; N14-G309 WeakPolarHBondContact ND2-CA 3.45Å; N14-Q312 HydrophobicContact CB-CG 3.7Å; N14-A394 PolarHBondContact OD1-O 3.29Å; N14-Q397 HydrophobicContact CB-CB 4.33Å; N14-C398 PolarHBondContact OD1-SG 2.99Å
15I93Very high90Very high1 Ų17.6 Ų7.61%0.0054%0.039CC..Hα-helixtrans-75.8-44.4-179.9-69.3168.6000111.2C11 V12 G17 S306 I310 T338 Y342C11-I15 WeakPolarHBondContact O-CB 3.44Å; C11-I15 WeakPolarHBondContact O-CD1 3.39Å; C11-I15 VanDerWaalsContact O-CG1 3.23Å; C11-I15 WeakPolarHBondContact O-CG1 3.41Å; C11-I15 PolarHBondContact O-N 2.93Å; V12-I15 PolarHBondContact O-N 3.22Å; I15-G17 PolarHBondContact O-N 3.49Å; I15-S306 WeakPolarHBondContact CA-O 3.06Å; I15-S306 WeakPolarHBondContact CG2-O 3.31Å; I15-S306 VanDerWaalsContact O-O 3.08Å; I15-I310 HydrophobicContact CD1-CG2 4.03Å; I15-T338 HydrophobicContact CB-CG2 3.86Å; I15-T338 HydrophobicContact CD1-CG2 4.19Å; I15-T338 VanDerWaalsContact CG2-CB 3.4Å; I15-T338 HydrophobicContact CG2-CG2 3.45Å; I15-T338 VanDerWaalsContact CG2-CG2 3.45Å; I15-Y342 HydrophobicContact CG2-CD2 4.48Å; I15-Y342 HydrophobicContact CG2-CE2 3.67Å; I15-Y342 PolarHBondContact O-OH 2.94Å
16F89.3Confident90.1Very high2 Ų25.6 Ų5.61%0.0093%0.026CC..THydrogen-bonded Turntrans-80.541.1174.7-68.1-38.4000112.8V12 V158 I162 T338 A341 Y342 A390V12-F16 HydrophobicContact CG1-CD2 3.46Å; V12-F16 VanDerWaalsContact CG1-CD2 3.46Å; V12-F16 HydrophobicContact CG1-CE2 3.74Å; V12-F16 PolarHBondContact O-N 3.01Å; F16-V158 HydrophobicContact CB-CG1 3.64Å; F16-V158 HydrophobicContact CD2-CG1 4.21Å; F16-V158 HydrophobicContact CG-CG1 4.27Å; F16-I162 HydrophobicContact CB-CD1 4.23Å; F16-I162 HydrophobicContact CD1-CD1 3.51Å; F16-I162 HydrophobicContact CD2-CD1 3.52Å; F16-I162 HydrophobicContact CE1-CD1 3.53Å; F16-I162 HydrophobicContact CE2-CD1 3.55Å; F16-I162 HydrophobicContact CG-CD1 3.52Å; F16-I162 HydrophobicContact CZ-CD1 3.55Å; F16-T338 HydrophobicContact CD1-CG2 4.2Å; F16-T338 HydrophobicContact CD2-CG2 4.22Å; F16-T338 HydrophobicContact CE1-CG2 3.84Å; F16-T338 HydrophobicContact CE2-CG2 3.87Å; F16-T338 HydrophobicContact CG-CG2 4.37Å; F16-T338 HydrophobicContact CZ-CG2 3.67Å; F16-A341 HydrophobicContact CE1-CB 3.6Å; F16-A341 HydrophobicContact CZ-CB 3.51Å; F16-Y342 HydrophobicContact CD1-CE2 4.16Å; F16-Y342 HydrophobicContact CE1-CE2 4.32Å; F16-A390 VanDerWaalsContact O-CB 3.28Å; F16-A390 WeakPolarHBondContact O-CB 3.05Å
17G79.8Confident90.2Very high1 Ų15.9 Ų5.91%0.013%0.027CC..SBendtrans-73.4-153.5174.600000113I15 L19I15-G17 PolarHBondContact O-N 3.49Å; G17-L19 PolarHBondContact O-N 3.23Å; G17-L19 VanDerWaalsContact O-N 3.12Å
18V77Confident90.3Very high9 Ų95.9 Ų5.96%0.0553%0.027CC..Hα-helixtrans-57.2-29.1-176.769.10000114.5F20 F21 I22 Y99 I106 S391V18-F20 PolarHBondContact O-N 3.32Å; V18-F21 PolarHBondContact O-N 3.05Å; V18-I22 HydrophobicContact CG2-CB 4.42Å; V18-I22 HydrophobicContact CG2-CD1 3.28Å; V18-I22 HydrophobicContact CG2-CG1 3.81Å; V18-I22 PolarHBondContact O-N 2.83Å; V18-I22 VanDerWaalsContact O-N 3.09Å; V18-Y99 HydrophobicContact CG1-CD1 4.19Å; V18-I106 HydrophobicContact CG2-CD1 3.98Å; V18-S391 VanDerWaalsContact CA-OG 3.26Å; V18-S391 WeakPolarHBondContact CA-OG 3.39Å; V18-S391 WeakPolarHBondContact CB-OG 3.04Å; V18-S391 PolarHBondContact N-OG 2.84Å
19L84Confident90.2Very high6 Ų64.7 Ų4.73%0.0312%0.023CC..Hα-helixtrans-73-31.4-165.1-67.3165.4000113.7G17 R23 L24 M98 P305 S306G17-L19 PolarHBondContact O-N 3.23Å; G17-L19 VanDerWaalsContact O-N 3.12Å; L19-R23 HydrophobicContact CD2-CB 4.15Å; L19-R23 HydrophobicContact CD2-CG 3.67Å; L19-R23 PolarHBondContact O-N 2.03Å; L19-R23 VanDerWaalsContact O-N 3.08Å; L19-L24 PolarHBondContact O-N 3.18Å; L19-L24 VanDerWaalsContact O-N 3.14Å; L19-M98 HydrophobicContact CD1-CE 4.12Å; L19-M98 HydrophobicContact CD2-CE 3.99Å; L19-M98 HydrophobicContact CG-CE 4.43Å; L19-P305 HydrophobicContact CD1-CB 3.76Å; L19-S306 VanDerWaalsContact CD1-CA 3.48Å; L19-S306 VanDerWaalsContact CD1-N 3.26Å
20F88.6Confident90.3Very high3 Ų34.7 Ų4.71%0.0132%0.023CC..Hα-helixtrans-62.8-44.3175-178.4-89.5000111.6V18 L24 I162 Y342 F349V18-F20 PolarHBondContact O-N 3.32Å; F20-L24 HydrophobicContact CD2-CD2 3.67Å; F20-L24 HydrophobicContact CE2-CD2 3.6Å; F20-L24 HydrophobicContact CG-CD2 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.34Å; F20-L24 WeakPolarHBondContact O-CB 3.3Å; F20-I162 HydrophobicContact CD1-CG1 4.34Å; F20-I162 HydrophobicContact CE1-CG1 4.05Å; F20-I162 HydrophobicContact CZ-CG1 4.45Å; F20-I162 HydrophobicContact CZ-CG2 4.32Å; F20-Y342 HydrophobicContact CB-CE1 3.74Å; F20-Y342 AromaticContact CD2-CD1 3.64Å; F20-Y342 HydrophobicContact CD2-CD1 3.64Å; F20-Y342 AromaticContact CD2-CE1 3.58Å; F20-Y342 HydrophobicContact CD2-CE1 3.58Å; F20-Y342 HydrophobicContact CD2-CG 4.22Å; F20-Y342 HydrophobicContact CE2-CD1 4.37Å; F20-Y342 HydrophobicContact CG-CE1 4.15Å; F20-F349 HydrophobicContact CE1-CZ 4.34Å; F20-F349 HydrophobicContact CZ-CZ 4.35Å
21F88.3Confident90.4Very high0 Ų04.7 Ų4.70%02%0.023CC..Hα-helixtrans-83.3-38.4-172.4-63-75.6000113.4V18 C161 I162 V372 I383 A390V18-F21 PolarHBondContact O-N 3.05Å; F21-C161 HydrophobicContact CE1-CB 4.24Å; F21-C161 HydrophobicContact CZ-CB 4.1Å; F21-I162 HydrophobicContact CZ-CG1 4.05Å; F21-V372 HydrophobicContact CD1-CG1 3.99Å; F21-V372 VanDerWaalsContact O-CG2 3.28Å; F21-V372 WeakPolarHBondContact O-CG2 3.13Å; F21-I383 HydrophobicContact CD1-CG2 3.75Å; F21-I383 HydrophobicContact CE1-CG2 3.98Å; F21-A390 HydrophobicContact CE2-CB 4.31Å
22I83.9Confident90.4Very high5 Ų54.7 Ų4.73%0.0262%0.023CC..Hα-helixtrans-91.3-45.1-176.6-57.6-171.4000111.9V18 I106V18-I22 HydrophobicContact CG2-CB 4.42Å; V18-I22 HydrophobicContact CG2-CD1 3.28Å; V18-I22 HydrophobicContact CG2-CG1 3.81Å; V18-I22 PolarHBondContact O-N 2.83Å; V18-I22 VanDerWaalsContact O-N 3.09Å; I22-I106 HydrophobicContact CD1-CD1 4.05Å; I22-I106 HydrophobicContact CD1-CG1 3.61Å; I22-I106 HydrophobicContact CG1-CD1 4.46Å; I22-I106 HydrophobicContact CG1-CG1 4.29Å
23R88.8Confident90.5Very high39 Ų395.7 Ų5.715%0.1473%0.028CC..Hα-helixtrans-99.5-25.2-164.8-62-62.7-177.6133.32114L19 W26 M27 E451L19-R23 HydrophobicContact CD2-CB 4.15Å; L19-R23 HydrophobicContact CD2-CG 3.67Å; L19-R23 PolarHBondContact O-N 2.03Å; L19-R23 VanDerWaalsContact O-N 3.08Å; R23-W26 PolarHBondContact O-N 3.34Å; R23-M27 WeakPolarHBondContact O-CB 3.46Å; R23-M27 PolarHBondContact O-N 2.77Å; R23-E451 IonicContact NH1-OE1 3.46Å; R23-E451 IonicContact NH2-OE1 3.54Å
24L92.9Very high90.6Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-64-48.2-175.7-169.159.3000112.1L19 F20 W26 M27 V28 F303 Y342 V346 F349L19-L24 PolarHBondContact O-N 3.18Å; L19-L24 VanDerWaalsContact O-N 3.14Å; F20-L24 HydrophobicContact CD2-CD2 3.67Å; F20-L24 HydrophobicContact CE2-CD2 3.6Å; F20-L24 HydrophobicContact CG-CD2 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.34Å; F20-L24 WeakPolarHBondContact O-CB 3.3Å; L24-W26 PolarHBondContact O-N 2.96Å; L24-M27 HydrophobicContact CD1-CE 3.94Å; L24-M27 PolarHBondContact O-N 3.01Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.71Å; L24-F303 HydrophobicContact CD1-CE2 3.88Å; L24-F303 HydrophobicContact CD1-CZ 4.43Å; L24-Y342 HydrophobicContact CD1-CD1 4.27Å; L24-Y342 HydrophobicContact CD2-CD1 3.91Å; L24-V346 HydrophobicContact CD1-CG2 3.63Å; L24-V346 HydrophobicContact CG-CG2 4.28Å; L24-F349 HydrophobicContact CB-CD2 4.4Å; L24-F349 HydrophobicContact CB-CE2 4.08Å; L24-F349 HydrophobicContact CD2-CD2 4.23Å; L24-F349 HydrophobicContact CD2-CE2 3.81Å; L24-F349 HydrophobicContact CG-CD2 4.09Å; L24-F349 HydrophobicContact CG-CE2 4Å
25A93.6Very high90.9Very high5 Ų513.5 Ų13.54%0.0417%0.068CC..Hα-helixtrans-60.4-46.9177.800000111.7M27 V28 G29 F349 L358 V372A25-M27 PolarHBondContact O-N 3.11Å; A25-V28 WeakPolarHBondContact O-CB 3.02Å; A25-V28 PolarHBondContact O-N 3.44Å; A25-V28 VanDerWaalsContact O-N 3.13Å; A25-G29 PolarHBondContact O-N 3.26Å; A25-F349 HydrophobicContact CB-CD2 4.06Å; A25-F349 HydrophobicContact CB-CE2 4.48Å; A25-F349 HydrophobicContact CB-CG 4.4Å; A25-L358 HydrophobicContact CB-CD2 3.98Å; A25-L358 WeakPolarHBondContact O-CD2 3.42Å; A25-V372 HydrophobicContact CB-CG2 3.99Å
26W93.4Very high91Very high13 Ų1313.4 Ų13.45%0.0497%0.067CC..Hα-helixtrans-59.8-41.7176.2172.476.8000113.9R23 L24 V28 G29 T30 M292 T294 L299 V302 L358 K361R23-W26 PolarHBondContact O-N 3.34Å; L24-W26 PolarHBondContact O-N 2.96Å; W26-V28 VanDerWaalsContact C-N 3.32Å; W26-V28 PolarHBondContact O-N 2.84Å; W26-G29 PolarHBondContact O-N 3.35Å; W26-T30 HydrophobicContact CZ2-CG2 4.35Å; W26-T30 PolarHBondContact O-N 2.97Å; W26-T30 VanDerWaalsContact O-N 3.08Å; W26-T30 PolarHBondContact O-OG1 2.96Å; W26-M292 HydrophobicContact CH2-CG 4.13Å; W26-M292 HydrophobicContact CH2-SD 3.71Å; W26-M292 HydrophobicContact CZ2-CG 4.16Å; W26-M292 HydrophobicContact CZ2-SD 4.31Å; W26-T294 HydrophobicContact CH2-CG2 3.71Å; W26-T294 HydrophobicContact CZ2-CG2 3.45Å; W26-T294 VanDerWaalsContact CZ2-CG2 3.45Å; W26-L299 HydrophobicContact CH2-CD2 3.74Å; W26-L299 HydrophobicContact CZ3-CD2 3.66Å; W26-V302 HydrophobicContact CZ3-CG1 4.2Å; W26-L358 VanDerWaalsContact CA-O 3.25Å; W26-L358 WeakPolarHBondContact CA-O 3.46Å; W26-K361 HydrophobicContact CG-CB 4.12Å; W26-K361 HydrophobicContact CG-CG 4.19Å
27M93.4Very high91.4Very high5 Ų516.6 Ų16.63%0.0258%0.081CC..Hα-helixtrans-63.5-40.3175.1-170.2-140.3-50.200111.4R23 L24 A25 G29 T30 A31 A36 I39 L299 F303R23-M27 WeakPolarHBondContact O-CB 3.46Å; R23-M27 PolarHBondContact O-N 2.77Å; L24-M27 HydrophobicContact CD1-CE 3.94Å; L24-M27 PolarHBondContact O-N 3.01Å; A25-M27 PolarHBondContact O-N 3.11Å; M27-G29 VanDerWaalsContact C-N 3.31Å; M27-G29 PolarHBondContact O-N 3.48Å; M27-T30 PolarHBondContact O-N 2.83Å; M27-T30 PolarHBondContact O-OG1 2.95Å; M27-A31 VanDerWaalsContact O-CB 3.29Å; M27-A31 WeakPolarHBondContact O-CB 3.48Å; M27-A31 PolarHBondContact O-N 2.04Å; M27-A36 HydrophobicContact SD-CB 4.08Å; M27-I39 HydrophobicContact SD-CB 4.43Å; M27-I39 HydrophobicContact SD-CG2 4.06Å; M27-L299 HydrophobicContact CG-CB 4.43Å; M27-L299 HydrophobicContact CG-CD1 4.14Å; M27-L299 HydrophobicContact CG-CD2 4.38Å; M27-F303 HydrophobicContact CE-CB 3.59Å; M27-F303 HydrophobicContact CE-CD1 4.12Å; M27-F303 HydrophobicContact CE-CD2 2.98Å; M27-F303 HydrophobicContact CE-CE2 3.58Å; M27-F303 HydrophobicContact CE-CG 3.27Å; M27-F303 HydrophobicContact CE-CZ 4.36Å
28V95.8Very high92.2Very high0 Ų020.4 Ų20.40%010%0.101CC..Hα-helixtrans-63.5-38.5175.9176.10000111.2L24 A25 W26 G32 A36 V346 L358L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.71Å; A25-V28 WeakPolarHBondContact O-CB 3.02Å; A25-V28 PolarHBondContact O-N 3.44Å; A25-V28 VanDerWaalsContact O-N 3.13Å; W26-V28 VanDerWaalsContact C-N 3.32Å; W26-V28 PolarHBondContact O-N 2.84Å; V28-G32 CarbonylContact O-C 3.53Å; V28-G32 WeakPolarHBondContact O-CA 3.12Å; V28-G32 PolarHBondContact O-N 3.15Å; V28-A36 HydrophobicContact CB-CB 4.43Å; V28-A36 HydrophobicContact CG2-CB 3.95Å; V28-V346 HydrophobicContact CG2-CB 4.18Å; V28-V346 HydrophobicContact CG2-CG1 4Å; V28-V346 HydrophobicContact CG2-CG2 4.07Å; V28-L358 HydrophobicContact CG1-CD1 4.33Å
29G94.2Very high93.1Very high3 Ų320 Ų203%0.03110%0.098CC..Hα-helixtrans-65.1-37.4175.900000114.2A25 W26 M27 R359A25-G29 PolarHBondContact O-N 3.26Å; W26-G29 PolarHBondContact O-N 3.35Å; M27-G29 VanDerWaalsContact C-N 3.31Å; M27-G29 PolarHBondContact O-N 3.48Å; G29-R359 VanDerWaalsContact C-CG 3.42Å; G29-R359 WeakPolarHBondContact O-CD 3.3Å; G29-R359 VanDerWaalsContact O-CG 3.26Å; G29-R359 WeakPolarHBondContact O-CG 3.36Å
30T93.8Very high93.7Very high1 Ų119.7 Ų19.71%0.00610%0.097CC..Hα-helixtrans-89-45.2-174.649.90000113.1W26 M27 G32 K258 T294 R359W26-T30 HydrophobicContact CZ2-CG2 4.35Å; W26-T30 PolarHBondContact O-N 2.97Å; W26-T30 VanDerWaalsContact O-N 3.08Å; W26-T30 PolarHBondContact O-OG1 2.96Å; M27-T30 PolarHBondContact O-N 2.83Å; M27-T30 PolarHBondContact O-OG1 2.95Å; T30-G32 VanDerWaalsContact C-N 3.32Å; T30-K258 CarbonylContact O-C 3.46Å; T30-K258 PolarHBondContact O-N 2.83Å; T30-T294 HydrophobicContact CG2-CG2 4.27Å; T30-R359 HydrophobicContact CG2-CG 4.09Å
31A94.8Very high94.1Very high0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-79.2-17.3175.800000112.8M27 E35 A36 I39 P257 L299M27-A31 VanDerWaalsContact O-CB 3.29Å; M27-A31 WeakPolarHBondContact O-CB 3.48Å; M27-A31 PolarHBondContact O-N 2.04Å; A31-E35 HydrophobicContact CB-CB 4.14Å; A31-E35 WeakPolarHBondContact O-CB 3.24Å; A31-A36 HydrophobicContact CB-CB 4.07Å; A31-I39 HydrophobicContact CB-CD1 4.07Å; A31-P257 VanDerWaalsContact O-CA 3.28Å; A31-P257 WeakPolarHBondContact O-CA 3.33Å; A31-P257 WeakPolarHBondContact O-CB 3.41Å; A31-L299 HydrophobicContact CB-CD1 3.68Å
32G95.3Very high94.4Very high1 Ų123.9 Ų23.91%0.0112%0.119CC..Hα-helixtrans71.2166.3-166.200000112V28 T30 L34 A36 N254V28-G32 CarbonylContact O-C 3.53Å; V28-G32 WeakPolarHBondContact O-CA 3.12Å; V28-G32 PolarHBondContact O-N 3.15Å; T30-G32 VanDerWaalsContact C-N 3.32Å; G32-L34 PolarHBondContact O-N 3.14Å; G32-A36 WeakPolarHBondContact O-CB 3.37Å; G32-A36 PolarHBondContact O-N 3.05Å; G32-N254 CarbonylContact C-O 3.42Å; G32-N254 WeakPolarHBondContact CA-O 3.49Å
33L96Very high95Very high21 Ų2123.7 Ų23.711%0.1112%0.118CC..Hα-helixtrans-60.5-43-172.7-178.560.9000112.4F37 I251 N254 V346 L347L33-F37 VanDerWaalsContact O-CB 3.25Å; L33-F37 WeakPolarHBondContact O-CB 3.25Å; L33-F37 PolarHBondContact O-N 2.85Å; L33-F37 VanDerWaalsContact O-N 3.09Å; L33-I251 HydrophobicContact CD2-CG2 3.96Å; L33-N254 PolarHBondContact N-O 2.86Å; L33-V346 HydrophobicContact CD1-CG1 3.91Å; L33-V346 WeakPolarHBondContact CD1-O 3.14Å; L33-L347 HydrophobicContact CD1-CD2 4.18Å
34L95.8Very high95.3Very high114 Ų11422 Ų2260%0.59711%0.112SC*.Hα-helixtrans-69.9-50.5-175.7-176.266.8000111.9G32 F37 L38 I255G32-L34 PolarHBondContact O-N 3.14Å; L34-F37 PolarHBondContact O-N 3.08Å; L34-L38 PolarHBondContact O-N 3.19Å; L34-L38 VanDerWaalsContact O-N 3.07Å; L34-I255 PolarHBondContact N-O 3.49Å
35E96.5Very high95.5Very high54 Ų5425.1 Ų25.125%0.25213%0.128SC..Hα-helixtrans-73.3-36.8-179.4-59.3-170.4-17900111.5A31 F37 L38 I39 Y259 F296A31-E35 HydrophobicContact CB-CB 4.14Å; A31-E35 WeakPolarHBondContact O-CB 3.24Å; E35-F37 VanDerWaalsContact C-N 3.28Å; E35-F37 PolarHBondContact O-N 3.18Å; E35-L38 PolarHBondContact O-N 2.88Å; E35-L38 VanDerWaalsContact O-N 3.11Å; E35-I39 WeakPolarHBondContact O-CB 3.49Å; E35-I39 VanDerWaalsContact O-CG1 3.23Å; E35-I39 WeakPolarHBondContact O-CG1 3.24Å; E35-I39 PolarHBondContact O-N 3.03Å; E35-Y259 PolarHBondContact OE2-OH 2.91Å; E35-F296 HydrophobicContact CB-CD2 4.26Å; E35-F296 HydrophobicContact CB-CE2 4.45Å
36A97Very high95.7Very high0 Ų024.9 Ų24.90%013%0.126CC..Hα-helixtrans-59.2-40173.200000112M27 V28 A31 G32 T40 V346M27-A36 HydrophobicContact SD-CB 4.08Å; V28-A36 HydrophobicContact CB-CB 4.43Å; V28-A36 HydrophobicContact CG2-CB 3.95Å; A31-A36 HydrophobicContact CB-CB 4.07Å; G32-A36 WeakPolarHBondContact O-CB 3.37Å; G32-A36 PolarHBondContact O-N 3.05Å; A36-T40 VanDerWaalsContact O-CB 3.28Å; A36-T40 WeakPolarHBondContact O-CB 2.93Å; A36-T40 PolarHBondContact O-N 3.02Å; A36-T40 PolarHBondContact O-OG1 3.03Å; A36-V346 HydrophobicContact CB-CG1 4.08Å
37F97.3Very high95.8Very high69 Ų6924.3 Ų24.330%0.30312%0.124SC..Hα-helixtrans-64-44.5174.2-174.4-88.5000111.1L33 L34 E35 T40 L41 L343 V346 L347L33-F37 VanDerWaalsContact O-CB 3.25Å; L33-F37 WeakPolarHBondContact O-CB 3.25Å; L33-F37 PolarHBondContact O-N 2.85Å; L33-F37 VanDerWaalsContact O-N 3.09Å; L34-F37 PolarHBondContact O-N 3.08Å; E35-F37 VanDerWaalsContact C-N 3.28Å; E35-F37 PolarHBondContact O-N 3.18Å; F37-T40 PolarHBondContact O-N 2.92Å; F37-L41 HydrophobicContact CE1-CD2 4.3Å; F37-L41 VanDerWaalsContact O-CB 3.23Å; F37-L41 WeakPolarHBondContact O-CB 3.28Å; F37-L41 PolarHBondContact O-N 3.17Å; F37-L343 HydrophobicContact CD2-CD2 3.95Å; F37-L343 HydrophobicContact CE2-CB 4.13Å; F37-L343 HydrophobicContact CE2-CD2 3.7Å; F37-L343 HydrophobicContact CE2-CG 4.4Å; F37-L343 HydrophobicContact CG-CD2 4.47Å; F37-L343 HydrophobicContact CZ-CD2 4Å; F37-V346 HydrophobicContact CB-CG1 4.03Å; F37-V346 HydrophobicContact CD2-CG1 4.48Å; F37-L347 HydrophobicContact CD2-CD2 4.17Å; F37-L347 HydrophobicContact CD2-CG 4.35Å; F37-L347 HydrophobicContact CE2-CD1 4.4Å; F37-L347 HydrophobicContact CE2-CD2 4.46Å; F37-L347 HydrophobicContact CE2-CG 4.44Å
38L96.5Very high96Very high80 Ų8027.2 Ų27.242%0.41914%0.137SC..Hα-helixtrans-64.1-45.3178.1-17862.7000112.4L34 E35 T40 L41 I42 F296L34-L38 PolarHBondContact O-N 3.19Å; L34-L38 VanDerWaalsContact O-N 3.07Å; E35-L38 PolarHBondContact O-N 2.88Å; E35-L38 VanDerWaalsContact O-N 3.11Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 2.79Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-I42 HydrophobicContact CD1-CD1 4.07Å; L38-I42 HydrophobicContact CD1-CG1 4.28Å; L38-I42 HydrophobicContact CG-CD1 3.89Å; L38-I42 HydrophobicContact CG-CG1 4.49Å; L38-I42 WeakPolarHBondContact O-CB 3.46Å; L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.4Å; L38-I42 PolarHBondContact O-N 2.9Å; L38-F296 HydrophobicContact CD2-CE2 4.14Å; L38-F296 HydrophobicContact CD2-CZ 4.18Å
39I95.7Very high96Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-57-50.8175.6-70.8166.7000109.4M27 A31 E35 L41 I42 C43 F296 L299 I300 F303M27-I39 HydrophobicContact SD-CB 4.43Å; M27-I39 HydrophobicContact SD-CG2 4.06Å; A31-I39 HydrophobicContact CB-CD1 4.07Å; E35-I39 WeakPolarHBondContact O-CB 3.49Å; E35-I39 VanDerWaalsContact O-CG1 3.23Å; E35-I39 WeakPolarHBondContact O-CG1 3.24Å; E35-I39 PolarHBondContact O-N 3.03Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 3.24Å; I39-I42 PolarHBondContact O-N 3.02Å; I39-C43 PolarHBondContact O-N 3.45Å; I39-C43 VanDerWaalsContact O-N 3.07Å; I39-C43 PolarHBondContact O-SG 3.29Å; I39-C43 VanDerWaalsContact O-SG 3.34Å; I39-F296 HydrophobicContact CD1-CD2 3.88Å; I39-F296 HydrophobicContact CD1-CE2 4.11Å; I39-F296 HydrophobicContact CG1-CD2 3.84Å; I39-F296 HydrophobicContact CG1-CE2 3.54Å; I39-F296 HydrophobicContact CG1-CZ 4.15Å; I39-L299 HydrophobicContact CD1-CB 3.88Å; I39-L299 HydrophobicContact CD1-CD1 4.42Å; I39-I300 HydrophobicContact CB-CG1 4.38Å; I39-I300 HydrophobicContact CG1-CG1 3.99Å; I39-I300 HydrophobicContact CG2-CG1 3.92Å; I39-F303 HydrophobicContact CG2-CB 4.24Å; I39-F303 HydrophobicContact CG2-CD1 4.36Å
40T96Very high96.2Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-59.9-45.7179.1-59.60000111.2A36 F37 L38 I42 C43 C44 F303 L343A36-T40 VanDerWaalsContact O-CB 3.28Å; A36-T40 WeakPolarHBondContact O-CB 2.93Å; A36-T40 PolarHBondContact O-N 3.02Å; A36-T40 PolarHBondContact O-OG1 3.03Å; F37-T40 PolarHBondContact O-N 2.92Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 2.79Å; T40-I42 PolarHBondContact O-N 3.03Å; T40-C43 PolarHBondContact O-N 3.23Å; T40-C44 WeakPolarHBondContact O-CB 3.48Å; T40-C44 PolarHBondContact O-N 2.94Å; T40-C44 PolarHBondContact O-SG 3.49Å; T40-C44 VanDerWaalsContact O-SG 3.35Å; T40-F303 HydrophobicContact CG2-CE1 3.81Å; T40-F303 HydrophobicContact CG2-CZ 3.83Å; T40-L343 HydrophobicContact CG2-CD2 3.7Å; T40-L343 HydrophobicContact CG2-CG 4.2Å
41L96.8Very high96.3Very high60 Ų6027.1 Ų27.131%0.31414%0.136SC..Hα-helixtrans-61.7-44.4178.7-177.465.4000112F37 L38 I39 C44 L45 L343F37-L41 HydrophobicContact CE1-CD2 4.3Å; F37-L41 VanDerWaalsContact O-CB 3.23Å; F37-L41 WeakPolarHBondContact O-CB 3.28Å; F37-L41 PolarHBondContact O-N 3.17Å; L38-L41 PolarHBondContact O-N 3.15Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 3.24Å; L41-C44 PolarHBondContact O-N 3.32Å; L41-L45 HydrophobicContact CD1-CD1 4.5Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.06Å; L41-L45 HydrophobicContact CG-CG 4.42Å; L41-L45 WeakPolarHBondContact O-CB 2.86Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 3.41Å; L41-L343 HydrophobicContact CB-CD2 4.3Å; L41-L343 HydrophobicContact CD1-CD1 4.46Å
42I95.9Very high96.4Very high32 Ų3227.6 Ų27.616%0.16414%0.138CC..Hα-helixtrans-60.7-47.4177.7-70.8166.2000110.5L38 I39 T40 C44 L45 V46 F296 V505L38-I42 HydrophobicContact CD1-CD1 4.07Å; L38-I42 HydrophobicContact CD1-CG1 4.28Å; L38-I42 HydrophobicContact CG-CD1 3.89Å; L38-I42 HydrophobicContact CG-CG1 4.49Å; L38-I42 WeakPolarHBondContact O-CB 3.46Å; L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.4Å; L38-I42 PolarHBondContact O-N 2.9Å; I39-I42 PolarHBondContact O-N 3.02Å; T40-I42 PolarHBondContact O-N 3.03Å; I42-C44 PolarHBondContact O-N 3.28Å; I42-L45 PolarHBondContact O-N 3.27Å; I42-V46 PolarHBondContact O-N 3.14Å; I42-F296 HydrophobicContact CD1-CZ 4.21Å; I42-V505 HydrophobicContact CG2-CG2 3.79Å
43C95Very high96.5Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-62.6-41.5177.6-64.60000111.9I39 T40 V46 T47 F303 F304 V307I39-C43 PolarHBondContact O-N 3.45Å; I39-C43 VanDerWaalsContact O-N 3.07Å; I39-C43 PolarHBondContact O-SG 3.29Å; I39-C43 VanDerWaalsContact O-SG 3.34Å; T40-C43 PolarHBondContact O-N 3.23Å; C43-V46 PolarHBondContact O-N 2.75Å; C43-T47 PolarHBondContact O-N 2.74Å; C43-T47 PolarHBondContact O-OG1 2.92Å; C43-F303 HydrophobicContact CB-CD1 3.91Å; C43-F303 HydrophobicContact CB-CE1 4.08Å; C43-F304 HydrophobicContact CB-CD2 4.1Å; C43-V307 HydrophobicContact CB-CG2 3.88Å
44C96.3Very high96.4Very high5 Ų526.6 Ų26.63%0.03413%0.132CC..Hα-helixtrans-64.2-36.6174-76.10000112.6T40 L41 I42 T47 F48 Q335 S339T40-C44 WeakPolarHBondContact O-CB 3.48Å; T40-C44 PolarHBondContact O-N 2.94Å; T40-C44 PolarHBondContact O-SG 3.49Å; T40-C44 VanDerWaalsContact O-SG 3.35Å; L41-C44 PolarHBondContact O-N 3.32Å; I42-C44 PolarHBondContact O-N 3.28Å; C44-T47 WeakPolarHBondContact CA-OG1 3.31Å; C44-T47 PolarHBondContact O-N 2.96Å; C44-T47 PolarHBondContact O-OG1 2.67Å; C44-T47 VanDerWaalsContact O-OG1 3.1Å; C44-F48 WeakPolarHBondContact O-CB 3.45Å; C44-F48 PolarHBondContact O-N 2.93Å; C44-Q335 PolarHBondContact O-NE2 3.2Å; C44-S339 PolarHBondContact SG-OG 3.35Å; C44-S339 VanDerWaalsContact SG-OG 3.39Å
45L96.8Very high96.4Very high65 Ų6521.1 Ų21.134%0.3410%0.104SC..Hα-helixtrans-67.3-40.4176.6-76169.9000112.2L41 I42 T47 F48 T49 L501L41-L45 HydrophobicContact CD1-CD1 4.5Å; L41-L45 HydrophobicContact CD1-CG 4.42Å; L41-L45 HydrophobicContact CG-CD1 4.06Å; L41-L45 HydrophobicContact CG-CG 4.42Å; L41-L45 WeakPolarHBondContact O-CB 2.86Å; L41-L45 VanDerWaalsContact O-CG 3.23Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 3.41Å; I42-L45 PolarHBondContact O-N 3.27Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.02Å; L45-F48 PolarHBondContact O-N 3.02Å; L45-T49 WeakPolarHBondContact O-CB 3.08Å; L45-T49 VanDerWaalsContact O-CG2 3.3Å; L45-T49 WeakPolarHBondContact O-CG2 3.32Å; L45-T49 PolarHBondContact O-N 2.82Å; L45-T49 PolarHBondContact O-OG1 2.75Å; L45-L501 HydrophobicContact CB-CD2 3.86Å
46V97Very high96.3Very high0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-56.5-49.5173.21710000110.5I42 C43 T49 T50 F304 L462 Y465 L501 V505I42-V46 PolarHBondContact O-N 3.14Å; C43-V46 PolarHBondContact O-N 2.75Å; V46-T49 PolarHBondContact O-OG1 2.9Å; V46-T50 VanDerWaalsContact O-CB 3.28Å; V46-T50 WeakPolarHBondContact O-CB 3.14Å; V46-T50 PolarHBondContact O-N 3.39Å; V46-T50 VanDerWaalsContact O-N 3.08Å; V46-T50 PolarHBondContact O-OG1 2.92Å; V46-F304 HydrophobicContact CB-CE2 4.02Å; V46-F304 HydrophobicContact CG1-CE2 3.74Å; V46-F304 HydrophobicContact CG1-CZ 3.93Å; V46-F304 HydrophobicContact CG2-CE2 4.39Å; V46-L462 HydrophobicContact CG1-CD2 4Å; V46-Y465 HydrophobicContact CG1-CD2 4.17Å; V46-L501 HydrophobicContact CB-CD2 4.11Å; V46-L501 HydrophobicContact CG2-CB 4.29Å; V46-L501 HydrophobicContact CG2-CD2 3.34Å; V46-L501 HydrophobicContact CG2-CG 3.54Å; V46-V505 HydrophobicContact CG2-CB 4.49Å; V46-V505 HydrophobicContact CG2-CG2 3.88Å
47T96Very high96.1Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-75.7-31.9-174.943.90000112.2C43 C44 L45 S51 V307 I310 Q335 Y465C43-T47 PolarHBondContact O-N 2.74Å; C43-T47 PolarHBondContact O-OG1 2.92Å; C44-T47 WeakPolarHBondContact CA-OG1 3.31Å; C44-T47 PolarHBondContact O-N 2.96Å; C44-T47 PolarHBondContact O-OG1 2.67Å; C44-T47 VanDerWaalsContact O-OG1 3.1Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.02Å; T47-S51 VanDerWaalsContact O-CB 3.31Å; T47-S51 WeakPolarHBondContact O-CB 2.98Å; T47-S51 PolarHBondContact O-N 2.94Å; T47-S51 PolarHBondContact O-OG 3.46Å; T47-V307 HydrophobicContact CG2-CB 3.9Å; T47-V307 HydrophobicContact CG2-CG2 3.63Å; T47-V307 WeakPolarHBondContact CG2-O 3.25Å; T47-I310 HydrophobicContact CG2-CD1 4.27Å; T47-Q335 PolarHBondContact OG1-NE2 3.36Å; T47-Y465 HydrophobicContact CG2-CE2 4.01Å
48F97.1Very high95.9Very high67 Ų6715.7 Ų15.729%0.2948%0.08SC..Hα-helixtrans-66.6-50.9173.3-178.8-106.8000112.7C44 L45 T50 S51 I52 L332 Q335 L336C44-F48 WeakPolarHBondContact O-CB 3.45Å; C44-F48 PolarHBondContact O-N 2.93Å; L45-F48 PolarHBondContact O-N 3.02Å; F48-T50 VanDerWaalsContact C-N 3.28Å; F48-T50 PolarHBondContact O-N 2.94Å; F48-S51 WeakPolarHBondContact O-CB 3.31Å; F48-S51 PolarHBondContact O-N 3.27Å; F48-S51 VanDerWaalsContact O-N 3.09Å; F48-I52 HydrophobicContact CD1-CD1 4.09Å; F48-I52 HydrophobicContact CE1-CD1 3.52Å; F48-I52 HydrophobicContact CE2-CD1 4.27Å; F48-I52 HydrophobicContact CZ-CD1 3.63Å; F48-I52 PolarHBondContact O-N 3.31Å; F48-L332 HydrophobicContact CE2-CD2 4.43Å; F48-Q335 HydrophobicContact CB-CG 4.44Å; F48-Q335 HydrophobicContact CD2-CG 4.4Å; F48-L336 HydrophobicContact CD2-CD2 4.34Å; F48-L336 HydrophobicContact CE2-CD2 3.94Å
49T97Very high95.7Very high2 Ų212.7 Ų12.71%0.0127%0.065CC..Hα-helixtrans-60-41.6176.5520000111.2L45 V46 S51 I52 S53 L494 F497 G498L45-T49 WeakPolarHBondContact O-CB 3.08Å; L45-T49 VanDerWaalsContact O-CG2 3.3Å; L45-T49 WeakPolarHBondContact O-CG2 3.32Å; L45-T49 PolarHBondContact O-N 2.82Å; L45-T49 PolarHBondContact O-OG1 2.75Å; V46-T49 PolarHBondContact O-OG1 2.9Å; T49-S51 VanDerWaalsContact C-N 3.35Å; T49-S51 PolarHBondContact O-N 2.79Å; T49-I52 PolarHBondContact O-N 2.84Å; T49-S53 PolarHBondContact O-N 3.23Å; T49-S53 PolarHBondContact O-OG 3.37Å; T49-L494 HydrophobicContact CG2-CD1 3.89Å; T49-L494 HydrophobicContact CG2-CG 4.17Å; T49-F497 HydrophobicContact CG2-CD1 3.94Å; T49-F497 HydrophobicContact CG2-CE1 4.3Å; T49-G498 WeakPolarHBondContact OG1-CA 3.02Å
50T97Very high95.4Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-64.3-37.5174.6-55.10000112.3V46 F48 I52 S53 L54 I310 M311 Y465 V468 N469V46-T50 VanDerWaalsContact O-CB 3.28Å; V46-T50 WeakPolarHBondContact O-CB 3.14Å; V46-T50 PolarHBondContact O-N 3.39Å; V46-T50 VanDerWaalsContact O-N 3.08Å; V46-T50 PolarHBondContact O-OG1 2.92Å; F48-T50 VanDerWaalsContact C-N 3.28Å; F48-T50 PolarHBondContact O-N 2.94Å; T50-I52 VanDerWaalsContact C-N 3.32Å; T50-I52 PolarHBondContact O-N 3.38Å; T50-S53 PolarHBondContact O-N 3.19Å; T50-L54 VanDerWaalsContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CB 3.44Å; T50-L54 PolarHBondContact O-N 2.99Å; T50-I310 HydrophobicContact CG2-CD1 3.92Å; T50-M311 HydrophobicContact CG2-CE 4.02Å; T50-Y465 HydrophobicContact CG2-CD1 3.84Å; T50-Y465 HydrophobicContact CG2-CG 3.78Å; T50-V468 HydrophobicContact CG2-CG1 4.37Å; T50-N469 WeakPolarHBondContact CA-OD1 3.15Å; T50-N469 PolarHBondContact OG1-ND2 3.25Å
51S96.7Very high94.8Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-65.6-35176.5-63.70000112.3T47 F48 T49 S55T47-S51 VanDerWaalsContact O-CB 3.31Å; T47-S51 WeakPolarHBondContact O-CB 2.98Å; T47-S51 PolarHBondContact O-N 2.94Å; T47-S51 PolarHBondContact O-OG 3.46Å; F48-S51 WeakPolarHBondContact O-CB 3.31Å; F48-S51 PolarHBondContact O-N 3.27Å; F48-S51 VanDerWaalsContact O-N 3.09Å; T49-S51 VanDerWaalsContact C-N 3.35Å; T49-S51 PolarHBondContact O-N 2.79Å; S51-S55 WeakPolarHBondContact O-CB 3.37Å; S51-S55 PolarHBondContact O-N 3.32Å; S51-S55 PolarHBondContact O-OG 3.27Å
52I96.8Very high94.1Very high10 Ų1019 Ų195%0.05110%0.103CC..Hα-helixtrans-69.3-44.7173.8-69.2168.5000111F48 T49 T50 L54 S55 A56 L332 F487 Y490 L494F48-I52 HydrophobicContact CD1-CD1 4.09Å; F48-I52 HydrophobicContact CE1-CD1 3.52Å; F48-I52 HydrophobicContact CE2-CD1 4.27Å; F48-I52 HydrophobicContact CZ-CD1 3.63Å; F48-I52 PolarHBondContact O-N 3.31Å; T49-I52 PolarHBondContact O-N 2.84Å; T50-I52 VanDerWaalsContact C-N 3.32Å; T50-I52 PolarHBondContact O-N 3.38Å; I52-L54 PolarHBondContact O-N 3.21Å; I52-S55 WeakPolarHBondContact O-CB 3.44Å; I52-S55 PolarHBondContact O-N 3.22Å; I52-A56 PolarHBondContact O-N 3Å; I52-L332 HydrophobicContact CG1-CD2 4.03Å; I52-F487 HydrophobicContact CB-CE1 4.48Å; I52-F487 HydrophobicContact CG1-CE1 4.34Å; I52-F487 HydrophobicContact CG2-CD1 4.32Å; I52-F487 HydrophobicContact CG2-CE1 3.96Å; I52-Y490 HydrophobicContact CG2-CD2 4.33Å; I52-L494 HydrophobicContact CB-CD2 4.12Å; I52-L494 HydrophobicContact CD1-CD2 3.42Å; I52-L494 VanDerWaalsContact CD1-CD2 3.42Å; I52-L494 HydrophobicContact CG1-CD2 4.36Å; I52-L494 HydrophobicContact CG2-CD2 3.82Å
53S96.4Very high93.6Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-60.4-44.4174.1-64.90000112T49 T50 S55 A56 I57 N469 C472 S495T49-S53 PolarHBondContact O-N 3.23Å; T49-S53 PolarHBondContact O-OG 3.37Å; T50-S53 PolarHBondContact O-N 3.19Å; S53-S55 VanDerWaalsContact C-N 3.28Å; S53-S55 PolarHBondContact O-N 2.8Å; S53-A56 WeakPolarHBondContact O-CB 3.38Å; S53-A56 PolarHBondContact O-N 3.27Å; S53-I57 PolarHBondContact O-N 3.02Å; S53-N469 WeakPolarHBondContact CB-OD1 3.49Å; S53-N469 PolarHBondContact OG-OD1 2.96Å; S53-C472 VanDerWaalsContact CB-SG 3.54Å; S53-C472 PolarHBondContact O-SG 3.47Å; S53-S495 WeakPolarHBondContact OG-CB 3.36Å; S53-S495 PolarHBondContact OG-OG 3.21Å
54L95.3Very high93Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-58.5-41.8174.4-174.772.4000111.3T50 I52 I57 A58 M71 M311 I327 T331 V468T50-L54 VanDerWaalsContact O-CB 3.27Å; T50-L54 WeakPolarHBondContact O-CB 3.44Å; T50-L54 PolarHBondContact O-N 2.99Å; I52-L54 PolarHBondContact O-N 3.21Å; L54-I57 PolarHBondContact O-N 3.07Å; L54-A58 VanDerWaalsContact O-CB 3.22Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.3Å; L54-M71 HydrophobicContact CD1-CE 4.05Å; L54-M71 HydrophobicContact CD1-SD 3.38Å; L54-M71 WeakPolarHBondContact CD1-SD 3.27Å; L54-M71 HydrophobicContact CG-SD 4.4Å; L54-M311 HydrophobicContact CD2-CG 4.48Å; L54-I327 HydrophobicContact CD2-CG2 3.97Å; L54-I327 HydrophobicContact CG-CG2 4.05Å; L54-T331 HydrophobicContact CD2-CG2 4.16Å; L54-V468 HydrophobicContact CB-CG1 4.48Å
55S95.3Very high92.4Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-65.2-39.6177.2-60.80000112.6S51 I52 S53 A58 T59 P328S51-S55 WeakPolarHBondContact O-CB 3.37Å; S51-S55 PolarHBondContact O-N 3.32Å; S51-S55 PolarHBondContact O-OG 3.27Å; I52-S55 WeakPolarHBondContact O-CB 3.44Å; I52-S55 PolarHBondContact O-N 3.22Å; S53-S55 VanDerWaalsContact C-N 3.28Å; S53-S55 PolarHBondContact O-N 2.8Å; S55-A58 PolarHBondContact O-N 3.45Å; S55-T59 WeakPolarHBondContact O-CG2 3.28Å; S55-T59 PolarHBondContact O-N 3.47Å; S55-T59 VanDerWaalsContact O-N 3.13Å; S55-T59 PolarHBondContact O-OG1 3.23Å; S55-P328 WeakPolarHBondContact OG-CA 3.47Å
56A94.8Very high91.8Very high0 Ų019.5 Ų19.50%012%0.116CC..Hα-helixtrans-64-47176.200000111.5I52 S53 T59 N60 W483 P485 Y490I52-A56 PolarHBondContact O-N 3Å; S53-A56 WeakPolarHBondContact O-CB 3.38Å; S53-A56 PolarHBondContact O-N 3.27Å; A56-T59 PolarHBondContact O-N 2.62Å; A56-T59 PolarHBondContact O-OG1 3.09Å; A56-T59 VanDerWaalsContact O-OG1 3.05Å; A56-N60 PolarHBondContact O-N 3.19Å; A56-W483 HydrophobicContact CB-CH2 4.37Å; A56-W483 HydrophobicContact CB-CZ2 4.25Å; A56-P485 HydrophobicContact CB-CB 4.06Å; A56-Y490 HydrophobicContact CB-CD1 4.15Å; A56-Y490 HydrophobicContact CB-CD2 3.23Å; A56-Y490 HydrophobicContact CB-CE2 3.67Å; A56-Y490 HydrophobicContact CB-CG 3.49Å; A56-Y490 VanDerWaalsContact CB-CG 3.49Å
57I92.7Very high91.3Very high9 Ų919.5 Ų19.55%0.04612%0.116CC..Hα-helixtrans-65.6-42.8177-60.8167.3000111S53 L54 T59 N60 M71 V468 A471 C472 W483S53-I57 PolarHBondContact O-N 3.02Å; L54-I57 PolarHBondContact O-N 3.07Å; I57-T59 PolarHBondContact O-N 2.94Å; I57-N60 WeakPolarHBondContact O-CB 3.41Å; I57-N60 PolarHBondContact O-N 3.31Å; I57-M71 HydrophobicContact CB-SD 4.21Å; I57-M71 HydrophobicContact CG2-CB 3.71Å; I57-M71 HydrophobicContact CG2-CG 3.68Å; I57-M71 HydrophobicContact CG2-SD 3.99Å; I57-V468 HydrophobicContact CD1-CG1 4Å; I57-A471 HydrophobicContact CD1-CB 4.38Å; I57-C472 WeakPolarHBondContact CD1-SG 3.32Å; I57-C472 WeakPolarHBondContact CG1-SG 3.34Å; I57-W483 HydrophobicContact CB-CH2 4.48Å; I57-W483 HydrophobicContact CG1-CH2 3.67Å; I57-W483 HydrophobicContact CG1-CZ3 3.94Å
58A92.3Very high90.9Very high0 Ų019.5 Ų19.50%012%0.116CC..Hα-helixtrans-62.6-26.8-178.900000113L54 S55 V63 M71 S324 I327L54-A58 VanDerWaalsContact O-CB 3.22Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.3Å; S55-A58 PolarHBondContact O-N 3.45Å; A58-V63 HydrophobicContact CB-CG2 4.28Å; A58-M71 HydrophobicContact CB-CE 3.82Å; A58-S324 VanDerWaalsContact O-CA 3.31Å; A58-S324 WeakPolarHBondContact O-CA 3.46Å; A58-S324 VanDerWaalsContact O-CB 3.3Å; A58-S324 WeakPolarHBondContact O-CB 3.42Å; A58-I327 HydrophobicContact CB-CB 4.04Å; A58-I327 HydrophobicContact CB-CD1 4.24Å; A58-I327 HydrophobicContact CB-CG2 3.99Å
59T92.8Very high90.6Very high17 Ų1716.3 Ų16.310%0.10410%0.102CC..Hα-helixtrans-91.2-4.7175.658.10000113.8S55 A56 I57 G61 S324 P328 R486 F487S55-T59 WeakPolarHBondContact O-CG2 3.28Å; S55-T59 PolarHBondContact O-N 3.47Å; S55-T59 VanDerWaalsContact O-N 3.13Å; S55-T59 PolarHBondContact O-OG1 3.23Å; A56-T59 PolarHBondContact O-N 2.62Å; A56-T59 PolarHBondContact O-OG1 3.09Å; A56-T59 VanDerWaalsContact O-OG1 3.05Å; I57-T59 PolarHBondContact O-N 2.94Å; T59-G61 PolarHBondContact O-N 3.36Å; T59-S324 WeakPolarHBondContact CG2-O 3.11Å; T59-P328 HydrophobicContact CG2-CG 3.87Å; T59-R486 PolarHBondContact OG1-N 3.07Å; T59-R486 VanDerWaalsContact OG1-N 3.15Å; T59-F487 HydrophobicContact CG2-CB 4.28Å; T59-F487 PolarHBondContact OG1-N 3.15Å
60N89.6Confident90.3Very high16 Ų1617.7 Ų17.79%0.08611%0.107CC..SBendtrans-82.624.2178.5-166.240.7000113.6A56 I57 R74 S482 W483 R484A56-N60 PolarHBondContact O-N 3.19Å; I57-N60 WeakPolarHBondContact O-CB 3.41Å; I57-N60 PolarHBondContact O-N 3.31Å; N60-R74 PolarHBondContact O-NH2 3.03Å; N60-S482 PolarHBondContact ND2-O 3.4Å; N60-S482 PolarHBondContact OD1-O 2.72Å; N60-S482 VanDerWaalsContact OD1-O 3.05Å; N60-W483 HydrophobicContact CB-CE3 4.31Å; N60-W483 HydrophobicContact CB-CZ3 4.16Å; N60-R484 PolarHBondContact OD1-N 2.94Å
61G83.8Confident89.9Confident31 Ų3117.8 Ų17.832%0.3211%0.107SC..SBendtrans131.6-167.5178.600000112.7T59T59-G61 PolarHBondContact O-N 3.36Å
62M82.2Confident89.6Confident146 Ų14617.8 Ų17.872%0.71911%0.108SC*.  trans-72.7135.3178.2-66.9-61.5-69.500110.9R74M62-R74 PolarHBondContact O-NH1 2.9Å
63V83.7Confident89.2Confident10 Ų1017.3 Ų17.36%0.06111%0.105CC..  trans-111.1102.8174.8-1750000107.8A58 M71 A323 I327A58-V63 HydrophobicContact CB-CG2 4.28Å; V63-M71 HydrophobicContact CB-CE 4.34Å; V63-M71 HydrophobicContact CG1-CE 3.55Å; V63-M71 HydrophobicContact CG1-CG 4.37Å; V63-M71 HydrophobicContact CG2-CE 3.88Å; V63-A323 HydrophobicContact CB-CB 4.06Å; V63-I327 HydrophobicContact CG1-CD1 4.36Å
64P83.4Confident88.6Confident57 Ų5720.9 Ų20.937%0.3712%0.118SC..  trans-76.8-162.2173.336.6-34.9000110.2Y70 S317P64-Y70 HydrophobicContact CG-CD1 4.13Å; P64-Y70 HydrophobicContact CG-CD2 3.48Å; P64-Y70 VanDerWaalsContact CG-CD2 3.48Å; P64-Y70 HydrophobicContact CG-CE1 3.89Å; P64-Y70 HydrophobicContact CG-CE2 3.12Å; P64-Y70 HydrophobicContact CG-CG 3.96Å; P64-S317 VanDerWaalsContact O-CB 3.27Å; P64-S317 WeakPolarHBondContact O-CB 3.28Å; P64-S317 PolarHBondContact O-OG 2.92Å
65A83.9Confident88.2Confident43 Ų4321.2 Ų21.236%0.35512%0.12SC..THydrogen-bonded Turntrans-61.3158.7176.600000113
66G83.3Confident87.8Confident1 Ų121.9 Ų21.91%0.0112%0.124CC..THydrogen-bonded Turntrans97.5-10.8178.600000115.2P68 Y69 L405G66-P68 VanDerWaalsContact O-N 3.14Å; G66-Y69 PolarHBondContact O-N 3.04Å; G66-Y69 VanDerWaalsContact O-N 3.12Å; G66-L405 WeakPolarHBondContact O-CD1 3.35Å
67G86.1Confident87.4Confident0 Ų021.9 Ų21.90%012%0.124CC..THydrogen-bonded Turntrans50.1-116.7168.700000113.4Y69 Y70 M71 S314 S317G67-Y69 PolarHBondContact O-N 3.13Å; G67-Y70 PolarHBondContact O-N 2.98Å; G67-M71 WeakPolarHBondContact O-CB 3.5Å; G67-M71 VanDerWaalsContact O-CG 3.27Å; G67-M71 WeakPolarHBondContact O-CG 3.45Å; G67-M71 PolarHBondContact O-N 2.99Å; G67-S314 WeakPolarHBondContact CA-O 3.28Å; G67-S317 PolarHBondContact N-OG 3.46Å
68P87.6Confident87.1Confident0 Ų021.8 Ų21.80%012%0.124CC..Hα-helixtrans-59.4-39-178-22.834.7000114.1G66 Y70 M71 I72 F88 M311 S314 N315G66-P68 VanDerWaalsContact O-N 3.14Å; P68-Y70 PolarHBondContact O-N 2.92Å; P68-M71 PolarHBondContact O-N 2.98Å; P68-I72 VanDerWaalsContact O-CG1 3.25Å; P68-I72 WeakPolarHBondContact O-CG1 3.49Å; P68-I72 PolarHBondContact O-N 3.45Å; P68-F88 HydrophobicContact CB-CD1 4.47Å; P68-F88 HydrophobicContact CB-CE1 4.23Å; P68-F88 HydrophobicContact CG-CD1 4.46Å; P68-F88 HydrophobicContact CG-CE1 3.76Å; P68-F88 HydrophobicContact CG-CZ 4.18Å; P68-M311 HydrophobicContact CB-CE 4.37Å; P68-M311 HydrophobicContact CB-SD 3.76Å; P68-M311 HydrophobicContact CG-CB 3.98Å; P68-M311 HydrophobicContact CG-CE 4.37Å; P68-M311 HydrophobicContact CG-CG 3.87Å; P68-M311 HydrophobicContact CG-SD 3.37Å; P68-M311 WeakPolarHBondContact CG-SD 3.27Å; P68-S314 WeakPolarHBondContact CD-OG 3.45Å; P68-S314 WeakPolarHBondContact CG-OG 3.48Å; P68-N315 WeakPolarHBondContact CD-OD1 3.43Å
69Y92.2Very high87Confident1 Ų123.9 Ų23.90%0.00413%0.133CC..Hα-helixtrans-59-49.4177.1153.5-108000111.2G66 G67 M71 I72 S73 G81 L405 A408 I409 D412 V414G66-Y69 PolarHBondContact O-N 3.04Å; G66-Y69 VanDerWaalsContact O-N 3.12Å; G67-Y69 PolarHBondContact O-N 3.13Å; Y69-M71 VanDerWaalsContact C-N 3.34Å; Y69-M71 PolarHBondContact O-N 2.87Å; Y69-I72 PolarHBondContact O-N 2.95Å; Y69-S73 WeakPolarHBondContact CD2-OG 3.35Å; Y69-S73 WeakPolarHBondContact CE2-OG 3.36Å; Y69-S73 VanDerWaalsContact O-CB 3.3Å; Y69-S73 WeakPolarHBondContact O-CB 3.47Å; Y69-S73 PolarHBondContact O-N 3.34Å; Y69-S73 PolarHBondContact O-OG 3.47Å; Y69-G81 WeakPolarHBondContact CD2-O 3.38Å; Y69-L405 VanDerWaalsContact CB-CD1 3.42Å; Y69-L405 HydrophobicContact CG-CD1 4.39Å; Y69-A408 HydrophobicContact CD1-CB 4.3Å; Y69-I409 HydrophobicContact CD1-CG1 3.71Å; Y69-I409 HydrophobicContact CD2-CD1 4.39Å; Y69-I409 HydrophobicContact CD2-CG1 3.71Å; Y69-I409 HydrophobicContact CE1-CB 4.39Å; Y69-I409 HydrophobicContact CE1-CG1 3.87Å; Y69-I409 HydrophobicContact CE2-CG1 3.89Å; Y69-I409 HydrophobicContact CG-CD1 4.37Å; Y69-I409 HydrophobicContact CG-CG1 3.63Å; Y69-D412 HydrophobicContact CE1-CB 4.32Å; Y69-D412 VanDerWaalsContact CE1-OD2 3.22Å; Y69-D412 WeakPolarHBondContact CE1-OD2 3.2Å; Y69-D412 WeakPolarHBondContact OH-CB 3.27Å; Y69-D412 PolarHBondContact OH-OD2 2.82Å; Y69-V414 VanDerWaalsContact OH-CG2 3.23Å; Y69-V414 WeakPolarHBondContact OH-CG2 3.17Å
70Y89.2Confident86.9Confident30 Ų3025.7 Ų25.712%0.11814%0.142CC..Hα-helixtrans-62.3-45.2178.4177.2-85.4000110.7P64 G67 P68 I72 S73 R74 W537P64-Y70 HydrophobicContact CG-CD1 4.13Å; P64-Y70 HydrophobicContact CG-CD2 3.48Å; P64-Y70 VanDerWaalsContact CG-CD2 3.48Å; P64-Y70 HydrophobicContact CG-CE1 3.89Å; P64-Y70 HydrophobicContact CG-CE2 3.12Å; P64-Y70 HydrophobicContact CG-CG 3.96Å; G67-Y70 PolarHBondContact O-N 2.98Å; P68-Y70 PolarHBondContact O-N 2.92Å; Y70-I72 PolarHBondContact O-N 2.96Å; Y70-S73 PolarHBondContact O-N 3.09Å; Y70-R74 HydrophobicContact CE1-CB 4.48Å; Y70-R74 WeakPolarHBondContact O-CB 2.95Å; Y70-R74 PolarHBondContact O-N 3.24Å; Y70-W537 AromaticContact CD2-CH2 3.69Å; Y70-W537 HydrophobicContact CD2-CH2 3.69Å; Y70-W537 AromaticContact CD2-CZ3 3.9Å; Y70-W537 HydrophobicContact CD2-CZ3 3.9Å; Y70-W537 HydrophobicContact CE2-CE3 4.31Å; Y70-W537 AromaticContact CE2-CH2 3.36Å; Y70-W537 HydrophobicContact CE2-CH2 3.36Å; Y70-W537 AromaticContact CE2-CZ3 3.17Å; Y70-W537 HydrophobicContact CE2-CZ3 3.17Å; Y70-W537 AromaticContact CZ-CZ3 3.74Å
71M89Confident87Confident2 Ų225 Ų251%0.0114%0.138CC..Hα-helixtrans-60.2-42.1179.5-74.2-173.9-166.100112.4L54 I57 A58 V63 G67 P68 Y69 N75 I327L54-M71 HydrophobicContact CD1-CE 4.05Å; L54-M71 HydrophobicContact CD1-SD 3.38Å; L54-M71 WeakPolarHBondContact CD1-SD 3.27Å; L54-M71 HydrophobicContact CG-SD 4.4Å; I57-M71 HydrophobicContact CB-SD 4.21Å; I57-M71 HydrophobicContact CG2-CB 3.71Å; I57-M71 HydrophobicContact CG2-CG 3.68Å; I57-M71 HydrophobicContact CG2-SD 3.99Å; A58-M71 HydrophobicContact CB-CE 3.82Å; V63-M71 HydrophobicContact CB-CE 4.34Å; V63-M71 HydrophobicContact CG1-CE 3.55Å; V63-M71 HydrophobicContact CG1-CG 4.37Å; V63-M71 HydrophobicContact CG2-CE 3.88Å; G67-M71 WeakPolarHBondContact O-CB 3.5Å; G67-M71 VanDerWaalsContact O-CG 3.27Å; G67-M71 WeakPolarHBondContact O-CG 3.45Å; G67-M71 PolarHBondContact O-N 2.99Å; P68-M71 PolarHBondContact O-N 2.98Å; Y69-M71 VanDerWaalsContact C-N 3.34Å; Y69-M71 PolarHBondContact O-N 2.87Å; M71-N75 PolarHBondContact O-ND2 3.37Å; M71-I327 HydrophobicContact CE-CD1 3.76Å
72I90.3Very high87.4Confident1 Ų123.5 Ų23.51%0.00512%0.123CC..Hα-helixtrans-71.3-48.5176.6-63163.2000110.1P68 Y69 Y70 R74 N75 L76 V84 V468P68-I72 VanDerWaalsContact O-CG1 3.25Å; P68-I72 WeakPolarHBondContact O-CG1 3.49Å; P68-I72 PolarHBondContact O-N 3.45Å; Y69-I72 PolarHBondContact O-N 2.95Å; Y70-I72 PolarHBondContact O-N 2.96Å; I72-R74 VanDerWaalsContact C-N 3.28Å; I72-R74 PolarHBondContact O-N 2.81Å; I72-N75 PolarHBondContact O-N 2.72Å; I72-L76 HydrophobicContact CG2-CB 4.41Å; I72-L76 HydrophobicContact CG2-CD1 4.3Å; I72-L76 PolarHBondContact O-N 3.44Å; I72-V84 HydrophobicContact CD1-CB 4.44Å; I72-V84 HydrophobicContact CD1-CG1 3.81Å; I72-V468 HydrophobicContact CD1-CG2 3.98Å; I72-V468 HydrophobicContact CG1-CG2 3.87Å
73S88.9Confident87.9Confident0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-56.8-41.3-176.9-59.50000112.6Y69 Y70 N75 G77 G81Y69-S73 WeakPolarHBondContact CD2-OG 3.35Å; Y69-S73 WeakPolarHBondContact CE2-OG 3.36Å; Y69-S73 VanDerWaalsContact O-CB 3.3Å; Y69-S73 WeakPolarHBondContact O-CB 3.47Å; Y69-S73 PolarHBondContact O-N 3.34Å; Y69-S73 PolarHBondContact O-OG 3.47Å; Y70-S73 PolarHBondContact O-N 3.09Å; S73-N75 VanDerWaalsContact C-N 3.32Å; S73-N75 PolarHBondContact O-N 3.08Å; S73-G77 WeakPolarHBondContact CA-O 3.45Å; S73-G77 CarbonylContact O-C 3.51Å; S73-G77 VanDerWaalsContact O-CA 3.24Å; S73-G77 WeakPolarHBondContact O-CA 3.15Å; S73-G77 PolarHBondContact O-N 3.34Å; S73-G81 VanDerWaalsContact OG-CA 3.31Å; S73-G81 WeakPolarHBondContact OG-CA 3.43Å
74R84.9Confident88.5Confident74 Ų7416.4 Ų16.428%0.2799%0.088SC..Hα-helixtrans-69.2-28.2-179.7-175.5172.5164.4-159.8-15.3113.5N60 M62 Y70 I72 W537N60-R74 PolarHBondContact O-NH2 3.03Å; M62-R74 PolarHBondContact O-NH1 2.9Å; Y70-R74 HydrophobicContact CE1-CB 4.48Å; Y70-R74 WeakPolarHBondContact O-CB 2.95Å; Y70-R74 PolarHBondContact O-N 3.24Å; I72-R74 VanDerWaalsContact C-N 3.28Å; I72-R74 PolarHBondContact O-N 2.81Å; R74-W537 HydrophobicContact CB-CE3 4.3Å; R74-W537 HydrophobicContact CG-CE3 4.44Å
75N85.2Confident89Confident8 Ų813.7 Ų13.74%0.0437%0.071CC..Hα-helixtrans-99.9-37.7-175.2-71.3-77.2000113.1M71 I72 S73 A471 Q475 G540M71-N75 PolarHBondContact O-ND2 3.37Å; I72-N75 PolarHBondContact O-N 2.72Å; S73-N75 VanDerWaalsContact C-N 3.32Å; S73-N75 PolarHBondContact O-N 3.08Å; N75-A471 HydrophobicContact CB-CB 4.02Å; N75-Q475 HydrophobicContact CB-CG 4.22Å; N75-Q475 PolarHBondContact O-NE2 3.45Å; N75-G540 PolarHBondContact O-N 3.22Å; N75-G540 VanDerWaalsContact O-N 3.17Å
76L87Confident89.5Confident14 Ų1413.5 Ų13.57%0.0736%0.064CC..Hα-helixtrans-110.8-1.5-175.5-64.9-178.6000114.1I72 L80 A471 L474 I541I72-L76 HydrophobicContact CG2-CB 4.41Å; I72-L76 HydrophobicContact CG2-CD1 4.3Å; I72-L76 PolarHBondContact O-N 3.44Å; L76-L80 HydrophobicContact CB-CD2 3.69Å; L76-L80 HydrophobicContact CD1-CD2 3.47Å; L76-L80 VanDerWaalsContact CD1-CD2 3.47Å; L76-L80 HydrophobicContact CG-CD2 4.17Å; L76-A471 HydrophobicContact CD1-CB 3.74Å; L76-A471 HydrophobicContact CD2-CB 4.26Å; L76-A471 HydrophobicContact CG-CB 3.72Å; L76-L474 HydrophobicContact CD2-CD2 3.65Å; L76-I541 VanDerWaalsContact O-CD1 3.3Å; L76-I541 WeakPolarHBondContact O-CD1 3.39Å
77G86.5Confident90.1Very high0 Ų013.6 Ų13.60%06%0.064CC..  trans102.6153179.600000113.2S73 E79 G81S73-G77 WeakPolarHBondContact CA-O 3.45Å; S73-G77 CarbonylContact O-C 3.51Å; S73-G77 VanDerWaalsContact O-CA 3.24Å; S73-G77 WeakPolarHBondContact O-CA 3.15Å; S73-G77 PolarHBondContact O-N 3.34Å; G77-E79 VanDerWaalsContact C-N 3.26Å; G77-E79 PolarHBondContact O-N 2.92Å; G77-G81 PolarHBondContact O-N 3.34Å
78P88Confident90.5Very high7 Ų713.7 Ų13.75%0.0456%0.064CC..Hα-helixtrans-63.6-29-176.125.4-33.2000113.3G82 V414P78-G82 PolarHBondContact O-N 3.2Å; P78-V414 HydrophobicContact CB-CG2 4.19Å; P78-V414 WeakPolarHBondContact O-CG1 3.09Å
79E89.7Confident90.9Very high43 Ų4314 Ų1420%0.2017%0.066CC..Hα-helixtrans-67.6-50.7-178.3-53.384.6169.700111.1G77 A83 Y525 I528 E529G77-E79 VanDerWaalsContact C-N 3.26Å; G77-E79 PolarHBondContact O-N 2.92Å; E79-A83 WeakPolarHBondContact O-CB 3.5Å; E79-A83 PolarHBondContact O-N 3.48Å; E79-A83 VanDerWaalsContact O-N 3.08Å; E79-Y525 HydrophobicContact CB-CD2 3.75Å; E79-Y525 HydrophobicContact CB-CE2 3.48Å; E79-Y525 VanDerWaalsContact CB-CE2 3.48Å; E79-I528 HydrophobicContact CB-CG2 4.26Å; E79-I528 HydrophobicContact CG-CG2 4.21Å; E79-E529 HydrophobicContact CG-CB 4.39Å
80L90.4Very high91Very high56 Ų5616.4 Ų16.429%0.2938%0.078SC..Hα-helixtrans-70.4-43.4177.9-172.670.3000111.1L76 G82 A83 V84 Y525L76-L80 HydrophobicContact CB-CD2 3.69Å; L76-L80 HydrophobicContact CD1-CD2 3.47Å; L76-L80 VanDerWaalsContact CD1-CD2 3.47Å; L76-L80 HydrophobicContact CG-CD2 4.17Å; L80-G82 PolarHBondContact O-N 2.96Å; L80-A83 PolarHBondContact O-N 2.76Å; L80-V84 HydrophobicContact CD1-CG2 4.25Å; L80-V84 HydrophobicContact CG-CG2 4.35Å; L80-V84 WeakPolarHBondContact O-CB 3.49Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 3.1Å; L80-Y525 HydrophobicContact CB-CD2 4.31Å; L80-Y525 HydrophobicContact CB-CE2 4.3Å; L80-Y525 HydrophobicContact CD1-CD2 4.41Å
81G91.3Very high91.2Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-59.3-45.7177.300000112.4Y69 S73 G77 G85Y69-G81 WeakPolarHBondContact CD2-O 3.38Å; S73-G81 VanDerWaalsContact OG-CA 3.31Å; S73-G81 WeakPolarHBondContact OG-CA 3.43Å; G77-G81 PolarHBondContact O-N 3.34Å; G81-G85 WeakPolarHBondContact O-CA 3.49Å; G81-G85 PolarHBondContact O-N 3.43Å
82G91.9Very high91.4Very high0 Ų014.9 Ų14.90%07%0.072CC..Hα-helixtrans-63.7-43.3176.100000113.4P78 L80 G85 I86P78-G82 PolarHBondContact O-N 3.2Å; L80-G82 PolarHBondContact O-N 2.96Å; G82-G85 PolarHBondContact O-N 2.91Å; G82-I86 WeakPolarHBondContact O-CG1 3.5Å; G82-I86 PolarHBondContact O-N 3.49Å
83A94.3Very high91.6Very high2 Ų214.9 Ų14.92%0.0177%0.072CC..Hα-helixtrans-61.3-52.4178.300000111.9E79 L80 G85 I86 L87 A524 I528E79-A83 WeakPolarHBondContact O-CB 3.5Å; E79-A83 PolarHBondContact O-N 3.48Å; E79-A83 VanDerWaalsContact O-N 3.08Å; L80-A83 PolarHBondContact O-N 2.76Å; A83-G85 VanDerWaalsContact C-N 3.3Å; A83-G85 PolarHBondContact O-N 2.89Å; A83-I86 PolarHBondContact O-N 2.8Å; A83-L87 PolarHBondContact O-N 3.41Å; A83-A524 HydrophobicContact CB-CB 3.86Å; A83-I528 HydrophobicContact CB-CD1 4.39Å
84V94.7Very high91.7Very high5 Ų515.9 Ų15.93%0.038%0.077CC..Hα-helixtrans-66.5-35.2178.1176.90000111I72 L80 L87 F88 M463 C464 S467I72-V84 HydrophobicContact CD1-CB 4.44Å; I72-V84 HydrophobicContact CD1-CG1 3.81Å; L80-V84 HydrophobicContact CD1-CG2 4.25Å; L80-V84 HydrophobicContact CG-CG2 4.35Å; L80-V84 WeakPolarHBondContact O-CB 3.49Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 3.1Å; V84-L87 PolarHBondContact O-N 3.22Å; V84-F88 WeakPolarHBondContact O-CB 3.36Å; V84-F88 PolarHBondContact O-N 3.17Å; V84-M463 HydrophobicContact CG2-CG 4.47Å; V84-C464 HydrophobicContact CG1-CB 4.04Å; V84-S467 WeakPolarHBondContact CG2-OG 3.3Å
85G94.4Very high92Very high1 Ų112.4 Ų12.41%0.017%0.065CC..Hα-helixtrans-60.8-44.4177.300000113.4G81 G82 A83 F88 Y89G81-G85 WeakPolarHBondContact O-CA 3.49Å; G81-G85 PolarHBondContact O-N 3.43Å; G82-G85 PolarHBondContact O-N 2.91Å; A83-G85 VanDerWaalsContact C-N 3.3Å; A83-G85 PolarHBondContact O-N 2.89Å; G85-F88 PolarHBondContact O-N 2.95Å; G85-Y89 WeakPolarHBondContact O-CB 3.4Å; G85-Y89 PolarHBondContact O-N 3.16Å
86I94.6Very high92.4Very high39 Ų3912 Ų1220%0.26%0.063CC..Hα-helixtrans-63.9-45.2175-65.1164.5000111G82 A83 F88 Y89 L90 I415 L418G82-I86 WeakPolarHBondContact O-CG1 3.5Å; G82-I86 PolarHBondContact O-N 3.49Å; A83-I86 PolarHBondContact O-N 2.8Å; I86-F88 VanDerWaalsContact C-N 3.29Å; I86-F88 PolarHBondContact O-N 3.15Å; I86-Y89 WeakPolarHBondContact O-CB 3.32Å; I86-Y89 PolarHBondContact O-N 3.29Å; I86-Y89 VanDerWaalsContact O-N 3.16Å; I86-L90 HydrophobicContact CG2-CD1 4.1Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.08Å; I86-I415 HydrophobicContact CD1-CD1 2.97Å; I86-I415 HydrophobicContact CD1-CG1 4.44Å; I86-I415 HydrophobicContact CG1-CD1 3.48Å; I86-I415 VanDerWaalsContact CG1-CD1 3.48Å; I86-L418 HydrophobicContact CG1-CD1 4.5Å
87L94.9Very high92.7Very high3 Ų311.5 Ų11.52%0.0166%0.06CC..Hα-helixtrans-60.8-43-179.8-68.6-179.2000111A83 V84 Y89 L90 A91 F460 M463 I520A83-L87 PolarHBondContact O-N 3.41Å; V84-L87 PolarHBondContact O-N 3.22Å; L87-Y89 VanDerWaalsContact C-N 3.34Å; L87-Y89 PolarHBondContact O-N 3.45Å; L87-L90 PolarHBondContact O-N 2.89Å; L87-A91 WeakPolarHBondContact O-CB 3.32Å; L87-A91 PolarHBondContact O-N 3.5Å; L87-F460 HydrophobicContact CB-CB 4.32Å; L87-F460 HydrophobicContact CB-CD1 4.23Å; L87-F460 HydrophobicContact CB-CG 4.18Å; L87-F460 HydrophobicContact CD1-CD1 4.35Å; L87-F460 HydrophobicContact CD2-CD1 4.01Å; L87-F460 HydrophobicContact CD2-CE1 3.75Å; L87-F460 HydrophobicContact CD2-CE2 4.41Å; L87-F460 HydrophobicContact CD2-CG 4.46Å; L87-F460 HydrophobicContact CD2-CZ 3.96Å; L87-F460 HydrophobicContact CG-CD1 4.44Å; L87-M463 HydrophobicContact CD1-CE 4.49Å; L87-M463 HydrophobicContact CD1-SD 3.5Å; L87-M463 VanDerWaalsContact CD1-SD 3.5Å; L87-I520 HydrophobicContact CD2-CB 4.4Å; L87-I520 HydrophobicContact CD2-CG2 3.68Å
88F95.6Very high92.8Very high1 Ų112.3 Ų12.30%0.0046%0.064CC..Hα-helixtrans-66.2-34.3175.9-178.9-118.9000112.7P68 V84 G85 I86 S92 M311 N315 L405 F461 C464P68-F88 HydrophobicContact CB-CD1 4.47Å; P68-F88 HydrophobicContact CB-CE1 4.23Å; P68-F88 HydrophobicContact CG-CD1 4.46Å; P68-F88 HydrophobicContact CG-CE1 3.76Å; P68-F88 HydrophobicContact CG-CZ 4.18Å; V84-F88 WeakPolarHBondContact O-CB 3.36Å; V84-F88 PolarHBondContact O-N 3.17Å; G85-F88 PolarHBondContact O-N 2.95Å; I86-F88 VanDerWaalsContact C-N 3.29Å; I86-F88 PolarHBondContact O-N 3.15Å; F88-S92 WeakPolarHBondContact O-CB 3.29Å; F88-S92 PolarHBondContact O-N 3.13Å; F88-S92 PolarHBondContact O-OG 2.81Å; F88-M311 HydrophobicContact CE1-SD 4.42Å; F88-M311 HydrophobicContact CE2-CB 4.44Å; F88-M311 HydrophobicContact CE2-SD 3.94Å; F88-M311 HydrophobicContact CZ-CB 3.75Å; F88-M311 HydrophobicContact CZ-CG 4.4Å; F88-M311 HydrophobicContact CZ-SD 3.79Å; F88-N315 WeakPolarHBondContact CE1-OD1 3.48Å; F88-L405 HydrophobicContact CB-CD2 4.37Å; F88-L405 HydrophobicContact CD1-CD1 4.36Å; F88-L405 HydrophobicContact CD1-CD2 3.27Å; F88-L405 HydrophobicContact CD1-CG 4.44Å; F88-L405 HydrophobicContact CE1-CD2 3.8Å; F88-L405 HydrophobicContact CG-CD2 4.14Å; F88-F461 AromaticContact CD2-CD1 3.66Å; F88-F461 HydrophobicContact CD2-CD1 3.66Å; F88-F461 AromaticContact CD2-CE1 3.76Å; F88-F461 HydrophobicContact CD2-CE1 3.76Å; F88-F461 AromaticContact CE2-CD1 3.44Å; F88-F461 HydrophobicContact CE2-CD1 3.44Å; F88-F461 VanDerWaalsContact CE2-CD1 3.44Å; F88-F461 AromaticContact CE2-CE1 3.35Å; F88-F461 HydrophobicContact CE2-CE1 3.35Å; F88-F461 HydrophobicContact CZ-CE1 4.34Å; F88-C464 HydrophobicContact CB-CB 4.22Å; F88-C464 HydrophobicContact CD2-CB 3.9Å; F88-C464 HydrophobicContact CG-CB 4.2Å
89Y95.3Very high92.9Very high7 Ų712.1 Ų12.13%0.0276%0.062CC..Hα-helixtrans-61.2-50.5169.6158.8-103.8000111.7G85 I86 L87 A91 S92 T93 A402 L406 S437 I440G85-Y89 WeakPolarHBondContact O-CB 3.4Å; G85-Y89 PolarHBondContact O-N 3.16Å; I86-Y89 WeakPolarHBondContact O-CB 3.32Å; I86-Y89 PolarHBondContact O-N 3.29Å; I86-Y89 VanDerWaalsContact O-N 3.16Å; L87-Y89 VanDerWaalsContact C-N 3.34Å; L87-Y89 PolarHBondContact O-N 3.45Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.28Å; Y89-S92 PolarHBondContact O-N 3.37Å; Y89-T93 WeakPolarHBondContact CE2-OG1 3.35Å; Y89-T93 PolarHBondContact O-N 3.36Å; Y89-T93 PolarHBondContact O-OG1 2.87Å; Y89-T93 VanDerWaalsContact O-OG1 3.11Å; Y89-A402 HydrophobicContact CD2-CB 3.94Å; Y89-A402 WeakPolarHBondContact CD2-O 3.36Å; Y89-A402 HydrophobicContact CE2-CB 4.2Å; Y89-L406 HydrophobicContact CD1-CD1 4.08Å; Y89-L406 HydrophobicContact CD2-CB 3.75Å; Y89-L406 HydrophobicContact CD2-CD1 4.49Å; Y89-L406 HydrophobicContact CE1-CD1 4.07Å; Y89-L406 HydrophobicContact CE1-CD2 4.31Å; Y89-L406 HydrophobicContact CE2-CB 3.76Å; Y89-L406 HydrophobicContact CE2-CD1 4.47Å; Y89-L406 HydrophobicContact CE2-CD2 3.97Å; Y89-L406 HydrophobicContact CE2-CG 4.28Å; Y89-L406 HydrophobicContact CG-CB 4.27Å; Y89-L406 HydrophobicContact CG-CD1 4.29Å; Y89-S437 WeakPolarHBondContact CE2-OG 3.48Å; Y89-S437 PolarHBondContact OH-OG 2.93Å; Y89-I440 HydrophobicContact CE1-CD1 4.25Å; Y89-I440 WeakPolarHBondContact OH-CD1 3.45Å
90L93.8Very high93.1Very high52 Ų5210 Ų1027%0.2725%0.053SC..Hα-helixtrans-60.3-45.4177.5-69.4173.8000110.8I86 L87 S92 T93 I94 F460I86-L90 HydrophobicContact CG2-CD1 4.1Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 2.89Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.12Å; L90-T93 PolarHBondContact O-N 3.22Å; L90-I94 WeakPolarHBondContact O-CB 3.41Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.06Å; L90-F460 HydrophobicContact CB-CE2 4.49Å
91A93.8Very high93.1Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-56.7-45.5176.700000112.3L87 Y89 A95 I457 F460 F461L87-A91 WeakPolarHBondContact O-CB 3.32Å; L87-A91 PolarHBondContact O-N 3.5Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.28Å; A91-A95 WeakPolarHBondContact O-CB 3.26Å; A91-A95 PolarHBondContact O-N 3.1Å; A91-I457 HydrophobicContact CB-CG2 4.44Å; A91-F460 HydrophobicContact CB-CB 3.55Å; A91-F460 HydrophobicContact CB-CD2 4.19Å; A91-F460 HydrophobicContact CB-CG 4.41Å; A91-F461 HydrophobicContact CB-CD1 4.44Å; A91-F461 HydrophobicContact CB-CD2 4.05Å; A91-F461 HydrophobicContact CB-CE1 4.3Å; A91-F461 HydrophobicContact CB-CE2 3.91Å; A91-F461 HydrophobicContact CB-CG 4.31Å; A91-F461 HydrophobicContact CB-CZ 4.03Å
92S93.4Very high93Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-67-39.8-179.5-60.50000112F88 Y89 L90 A95 A96 C398F88-S92 WeakPolarHBondContact O-CB 3.29Å; F88-S92 PolarHBondContact O-N 3.13Å; F88-S92 PolarHBondContact O-OG 2.81Å; Y89-S92 PolarHBondContact O-N 3.37Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.12Å; S92-A95 PolarHBondContact O-N 3.04Å; S92-A96 PolarHBondContact O-N 2.87Å; S92-A96 VanDerWaalsContact O-N 3.1Å; S92-C398 WeakPolarHBondContact O-CB 3.45Å
93T94.1Very high93Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-69.4-42.6178.1-58.20000111.9Y89 L90 A95 A96 S97 A402 S437 I440 C441Y89-T93 WeakPolarHBondContact CE2-OG1 3.35Å; Y89-T93 PolarHBondContact O-N 3.36Å; Y89-T93 PolarHBondContact O-OG1 2.87Å; Y89-T93 VanDerWaalsContact O-OG1 3.11Å; L90-T93 PolarHBondContact O-N 3.22Å; T93-A95 VanDerWaalsContact C-N 3.34Å; T93-A96 VanDerWaalsContact O-CB 3.29Å; T93-A96 WeakPolarHBondContact O-CB 3.38Å; T93-A96 PolarHBondContact O-N 3.31Å; T93-S97 PolarHBondContact O-N 2.79Å; T93-A402 WeakPolarHBondContact OG1-CB 3.5Å; T93-S437 WeakPolarHBondContact CG2-O 3.33Å; T93-I440 HydrophobicContact CG2-CB 3.81Å; T93-I440 HydrophobicContact CG2-CG2 3.7Å; T93-C441 HydrophobicContact CG2-CB 4.38Å
94I91.9Very high93Very high21 Ų217.9 Ų7.911%0.1084%0.042CC..Hα-helixtrans-70.7-32.3176.2-57.4167.2000110.6L90 A96 S97 M98 I453 I457L90-I94 WeakPolarHBondContact O-CB 3.41Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.06Å; I94-A96 VanDerWaalsContact C-N 3.25Å; I94-A96 PolarHBondContact O-N 3.38Å; I94-S97 PolarHBondContact O-N 3.27Å; I94-S97 PolarHBondContact O-OG 2.84Å; I94-M98 PolarHBondContact O-N 2.51Å; I94-M98 VanDerWaalsContact O-N 3.13Å; I94-I453 HydrophobicContact CG2-CG2 3.32Å; I94-I457 HydrophobicContact CB-CD1 4.06Å; I94-I457 HydrophobicContact CB-CG1 3.97Å; I94-I457 HydrophobicContact CG2-CD1 3.42Å; I94-I457 VanDerWaalsContact CG2-CD1 3.42Å; I94-I457 HydrophobicContact CG2-CG1 3.57Å
95A91.9Very high92.7Very high2 Ų28.7 Ų8.72%0.0175%0.045CC..Hα-helixtrans-63.4-33.8171.300000111.7A91 S92 T93 S97 M98 Y99 I457 F461A91-A95 WeakPolarHBondContact O-CB 3.26Å; A91-A95 PolarHBondContact O-N 3.1Å; S92-A95 PolarHBondContact O-N 3.04Å; T93-A95 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.42Å; A95-M98 PolarHBondContact O-N 2.98Å; A95-Y99 HydrophobicContact CB-CE2 4.09Å; A95-Y99 WeakPolarHBondContact O-CD2 3.2Å; A95-Y99 PolarHBondContact O-N 2.86Å; A95-I457 HydrophobicContact CB-CG2 4.28Å; A95-F461 HydrophobicContact CB-CE2 4.08Å; A95-F461 HydrophobicContact CB-CZ 4.22Å
96A93.3Very high92.5Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-60.9-4417500000111.8S92 T93 I94 Y99 I100 C398S92-A96 PolarHBondContact O-N 2.87Å; S92-A96 VanDerWaalsContact O-N 3.1Å; T93-A96 VanDerWaalsContact O-CB 3.29Å; T93-A96 WeakPolarHBondContact O-CB 3.38Å; T93-A96 PolarHBondContact O-N 3.31Å; I94-A96 VanDerWaalsContact C-N 3.25Å; I94-A96 PolarHBondContact O-N 3.38Å; A96-Y99 PolarHBondContact O-N 3.08Å; A96-I100 WeakPolarHBondContact O-CB 3.12Å; A96-I100 WeakPolarHBondContact O-CG1 3.42Å; A96-I100 PolarHBondContact O-N 2.98Å; A96-C398 HydrophobicContact CB-CB 3.69Å
97S92.1Very high92.4Very high3 Ų39.3 Ų9.32%0.0215%0.046CC..Hα-helixtrans-65-40.117756.40000111.9T93 I94 A95 Y99 I100 L101 C441 C444T93-S97 PolarHBondContact O-N 2.79Å; I94-S97 PolarHBondContact O-N 3.27Å; I94-S97 PolarHBondContact O-OG 2.84Å; A95-S97 PolarHBondContact O-N 3.42Å; S97-Y99 PolarHBondContact O-N 3.33Å; S97-I100 PolarHBondContact O-N 3.37Å; S97-L101 WeakPolarHBondContact O-CB 3.35Å; S97-L101 PolarHBondContact O-N 2.91Å; S97-C441 VanDerWaalsContact CA-SG 3.52Å; S97-C441 VanDerWaalsContact CB-SG 3.58Å; S97-C441 PolarHBondContact N-SG 2.74Å; S97-C441 VanDerWaalsContact N-SG 3.43Å; S97-C444 VanDerWaalsContact OG-CB 3.31Å; S97-C444 WeakPolarHBondContact OG-CB 3.24Å
98M88.8Confident92.2Very high17 Ų179.1 Ų9.18%0.0845%0.046CC..Hα-helixtrans-58.1-48174.7-177.3-166.3174.400112L19 I94 A95 G102 P305 L450 T454L19-M98 HydrophobicContact CD1-CE 4.12Å; L19-M98 HydrophobicContact CD2-CE 3.99Å; L19-M98 HydrophobicContact CG-CE 4.43Å; I94-M98 PolarHBondContact O-N 2.51Å; I94-M98 VanDerWaalsContact O-N 3.13Å; A95-M98 PolarHBondContact O-N 2.98Å; M98-G102 PolarHBondContact O-N 3.16Å; M98-P305 HydrophobicContact CE-CB 4.38Å; M98-P305 HydrophobicContact SD-CB 4.46Å; M98-L450 HydrophobicContact CB-CD2 4.35Å; M98-L450 HydrophobicContact CG-CD2 4.49Å; M98-T454 HydrophobicContact CE-CG2 3.74Å; M98-T454 HydrophobicContact SD-CG2 3.94Å
99Y91.7Very high91.9Very high2 Ų210.6 Ų10.61%0.0085%0.053CC..Hα-helixtrans-68.1-37.1179.8-67.2-51.2000113.1V18 A95 A96 S97 G102 S103 P305 A394V18-Y99 HydrophobicContact CG1-CD1 4.19Å; A95-Y99 HydrophobicContact CB-CE2 4.09Å; A95-Y99 WeakPolarHBondContact O-CD2 3.2Å; A95-Y99 PolarHBondContact O-N 2.86Å; A96-Y99 PolarHBondContact O-N 3.08Å; S97-Y99 PolarHBondContact O-N 3.33Å; Y99-G102 PolarHBondContact O-N 3.25Å; Y99-S103 PolarHBondContact O-N 2.95Å; Y99-P305 PolarHBondContact OH-O 3.38Å; Y99-A394 HydrophobicContact CD1-CB 3.94Å; Y99-A394 HydrophobicContact CD2-CB 3.76Å; Y99-A394 HydrophobicContact CE1-CB 4.3Å; Y99-A394 HydrophobicContact CE2-CB 4.15Å; Y99-A394 HydrophobicContact CG-CB 3.68Å
100I93.4Very high91.6Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-68.8-42.3177.6-68.4170.6000110.6A96 S97 S103 A104 A129 L132 L133 I136 I445A96-I100 WeakPolarHBondContact O-CB 3.12Å; A96-I100 WeakPolarHBondContact O-CG1 3.42Å; A96-I100 PolarHBondContact O-N 2.98Å; S97-I100 PolarHBondContact O-N 3.37Å; I100-S103 VanDerWaalsContact O-CB 3.27Å; I100-S103 WeakPolarHBondContact O-CB 3.47Å; I100-S103 PolarHBondContact O-N 2.92Å; I100-S103 VanDerWaalsContact O-N 3.15Å; I100-A104 PolarHBondContact O-N 3.47Å; I100-A129 HydrophobicContact CG2-CB 4Å; I100-A129 WeakPolarHBondContact CG2-O 3.24Å; I100-L132 HydrophobicContact CG2-CB 4.25Å; I100-L132 HydrophobicContact CG2-CD2 4.06Å; I100-L132 HydrophobicContact CG2-CG 4.26Å; I100-L133 HydrophobicContact CD1-CB 4.22Å; I100-L133 HydrophobicContact CD1-CD1 3.66Å; I100-L133 HydrophobicContact CG2-CB 4.45Å; I100-I136 HydrophobicContact CD1-CD1 3.97Å; I100-I136 HydrophobicContact CG1-CD1 3.86Å; I100-I445 HydrophobicContact CG2-CD1 4.07Å
101L90.6Very high91.4Very high9 Ų910.2 Ų10.25%0.0476%0.056CC..Hα-helixtrans-65-40.9175.6-159.970.8000111.2S97 S103 A104 E105 A129 I445 L450S97-L101 WeakPolarHBondContact O-CB 3.35Å; S97-L101 PolarHBondContact O-N 2.91Å; L101-S103 PolarHBondContact O-N 2.88Å; L101-A104 WeakPolarHBondContact O-CA 3.16Å; L101-A104 WeakPolarHBondContact O-CB 3.04Å; L101-A104 PolarHBondContact O-N 3.47Å; L101-E105 PolarHBondContact O-N 3.26Å; L101-A129 HydrophobicContact CD1-CB 3.61Å; L101-I445 HydrophobicContact CD1-CG2 4.47Å; L101-L450 HydrophobicContact CB-CD1 4.09Å; L101-L450 HydrophobicContact CB-CD2 4.44Å; L101-L450 HydrophobicContact CD2-CD1 3.35Å; L101-L450 HydrophobicContact CD2-CD2 3.75Å; L101-L450 HydrophobicContact CD2-CG 3.38Å; L101-L450 HydrophobicContact CG-CD1 4.11Å
102G89.1Confident91.2Very high2 Ų213.2 Ų13.22%0.0217%0.074CC..Hα-helixtrans-61.1-32.8172.500000113.1M98 Y99 E105 I106M98-G102 PolarHBondContact O-N 3.16Å; Y99-G102 PolarHBondContact O-N 3.25Å; G102-E105 PolarHBondContact O-N 3.49Å; G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.26Å; G102-I106 VanDerWaalsContact O-N 3.1Å
103S92.4Very high90.8Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-66.9-40.6171.4-162.10000112.1Y99 I100 L101 E105 I106 F107 F388Y99-S103 PolarHBondContact O-N 2.95Å; I100-S103 VanDerWaalsContact O-CB 3.27Å; I100-S103 WeakPolarHBondContact O-CB 3.47Å; I100-S103 PolarHBondContact O-N 2.92Å; I100-S103 VanDerWaalsContact O-N 3.15Å; L101-S103 PolarHBondContact O-N 2.88Å; S103-E105 VanDerWaalsContact C-N 3.35Å; S103-I106 PolarHBondContact O-N 3.14Å; S103-F107 WeakPolarHBondContact O-CB 3.12Å; S103-F107 PolarHBondContact O-N 3.43Å; S103-F107 VanDerWaalsContact O-N 3.09Å; S103-F388 WeakPolarHBondContact O-CD2 3.36Å; S103-F388 WeakPolarHBondContact OG-CD2 3.37Å; S103-F388 VanDerWaalsContact OG-CE2 3.27Å; S103-F388 WeakPolarHBondContact OG-CE2 3.34Å; S103-F388 PolarHBondContact OG-O 2.94Å; S103-F388 VanDerWaalsContact OG-O 3.11Å
104A92.5Very high90.2Very high2 Ų225.1 Ų25.12%0.01714%0.135CC..Hα-helixtrans-66.5-37.6175.600000111.8I100 L101 F107 L108 F128 A129I100-A104 PolarHBondContact O-N 3.47Å; L101-A104 WeakPolarHBondContact O-CA 3.16Å; L101-A104 WeakPolarHBondContact O-CB 3.04Å; L101-A104 PolarHBondContact O-N 3.47Å; A104-F107 PolarHBondContact O-N 2.84Å; A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 PolarHBondContact O-N 3.3Å; A104-F128 HydrophobicContact CB-CB 4.07Å; A104-A129 HydrophobicContact CB-CB 4.07Å
105E89.1Confident89.9Confident21 Ų2125 Ų2510%0.09814%0.137CC..Hα-helixtrans-58.3-50.1173.3-175.8-175.9155.400111.1L101 G102 S103 F107 L108 L109 Y125 F362L101-E105 PolarHBondContact O-N 3.26Å; G102-E105 PolarHBondContact O-N 3.49Å; S103-E105 VanDerWaalsContact C-N 3.35Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 3.43Å; E105-L108 PolarHBondContact O-N 3.04Å; E105-L109 HydrophobicContact CG-CD1 3.67Å; E105-L109 HydrophobicContact CG-CG 4.34Å; E105-L109 VanDerWaalsContact O-CB 3.29Å; E105-L109 WeakPolarHBondContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CG 3.43Å; E105-L109 PolarHBondContact O-N 3.15Å; E105-Y125 HydrophobicContact CB-CE1 4.23Å; E105-Y125 HydrophobicContact CG-CE1 4.42Å; E105-F362 WeakPolarHBondContact OE1-CE1 3.38Å
106I90.8Very high89.5Confident0 Ų027.6 Ų27.60%015%0.148CC..Hα-helixtrans-60.4-43.4177.5-65.4165.7000111.3V18 I22 G102 S103 Y110 A111 I384 F388V18-I106 HydrophobicContact CG2-CD1 3.98Å; I22-I106 HydrophobicContact CD1-CD1 4.05Å; I22-I106 HydrophobicContact CD1-CG1 3.61Å; I22-I106 HydrophobicContact CG1-CD1 4.46Å; I22-I106 HydrophobicContact CG1-CG1 4.29Å; G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.26Å; G102-I106 VanDerWaalsContact O-N 3.1Å; S103-I106 PolarHBondContact O-N 3.14Å; I106-Y110 HydrophobicContact CG2-CD2 4.41Å; I106-Y110 PolarHBondContact O-N 2.9Å; I106-A111 PolarHBondContact O-N 3.12Å; I106-A111 VanDerWaalsContact O-N 3.17Å; I106-I384 HydrophobicContact CG2-CG2 4.18Å; I106-F388 HydrophobicContact CG2-CB 4.1Å
107F92.6Very high89.1Confident53 Ų5333.1 Ų33.123%0.23218%0.176CC..Iπ-helixtrans-61.9-47.8-178-178.2-101.2000111.6S103 A104 E105 A111 V112 A115 F128 F388S103-F107 WeakPolarHBondContact O-CB 3.12Å; S103-F107 PolarHBondContact O-N 3.43Å; S103-F107 VanDerWaalsContact O-N 3.09Å; A104-F107 PolarHBondContact O-N 2.84Å; E105-F107 VanDerWaalsContact C-N 3.29Å; E105-F107 PolarHBondContact O-N 3.43Å; F107-A111 HydrophobicContact CD2-CB 4.17Å; F107-A111 WeakPolarHBondContact O-CB 3.25Å; F107-A111 PolarHBondContact O-N 2.83Å; F107-V112 HydrophobicContact CE1-CB 4.42Å; F107-V112 HydrophobicContact CE2-CB 4.32Å; F107-V112 HydrophobicContact CE2-CG2 3.77Å; F107-V112 HydrophobicContact CZ-CB 4.03Å; F107-V112 HydrophobicContact CZ-CG2 3.88Å; F107-V112 PolarHBondContact O-N 3.04Å; F107-A115 HydrophobicContact CE1-CB 4.02Å; F107-F128 AromaticContact CD1-CD1 3.89Å; F107-F128 HydrophobicContact CD1-CD1 3.89Å; F107-F128 HydrophobicContact CD1-CE1 4.05Å; F107-F128 HydrophobicContact CD1-CG 4.47Å; F107-F128 AromaticContact CE1-CD1 3.76Å; F107-F128 HydrophobicContact CE1-CD1 3.76Å; F107-F128 AromaticContact CE1-CE1 3.45Å; F107-F128 HydrophobicContact CE1-CE1 3.45Å; F107-F128 VanDerWaalsContact CE1-CE1 3.45Å; F107-F128 HydrophobicContact CE1-CZ 4.12Å; F107-F128 HydrophobicContact CZ-CE1 4.38Å; F107-F388 HydrophobicContact CB-CD2 3.9Å; F107-F388 HydrophobicContact CB-CE2 3.91Å; F107-F388 HydrophobicContact CD2-CD2 4.44Å; F107-F388 HydrophobicContact CD2-CE2 4.19Å; F107-F388 HydrophobicContact CG-CE2 4.31Å
108L91Very high88.8Confident0 Ų037.7 Ų37.70%020%0.196CC..Iπ-helixtrans-80.8-29.8-175.2-74.8164.8000114.1A104 E105 P113 A115 K116 C124 Y125 F128A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 PolarHBondContact O-N 3.3Å; E105-L108 PolarHBondContact O-N 3.04Å; L108-P113 WeakPolarHBondContact O-CA 3.02Å; L108-A115 HydrophobicContact CD2-CB 4.09Å; L108-K116 HydrophobicContact CD2-CG 4.38Å; L108-C124 HydrophobicContact CD1-CB 3.7Å; L108-C124 HydrophobicContact CD2-CB 4.45Å; L108-Y125 HydrophobicContact CB-CE1 4.17Å; L108-Y125 HydrophobicContact CD1-CD1 3.59Å; L108-Y125 HydrophobicContact CD1-CE1 4.01Å; L108-F128 HydrophobicContact CD1-CB 4.31Å; L108-F128 HydrophobicContact CD1-CD2 3.77Å; L108-F128 HydrophobicContact CD1-CE2 4.47Å; L108-F128 HydrophobicContact CD1-CG 4.23Å; L108-F128 HydrophobicContact CD2-CD2 3.83Å; L108-F128 HydrophobicContact CD2-CE2 3.7Å; L108-F128 HydrophobicContact CD2-CZ 4.3Å; L108-F128 HydrophobicContact CG-CD2 4.12Å; L108-F128 HydrophobicContact CG-CE2 4.48Å; L108-F128 HydrophobicContact CG-CG 4.47Å
109L88.2Confident88.3Confident32 Ų3245.5 Ų45.517%0.16824%0.238CC..Iπ-helixtrans-86.8-39179.8-66.5-176.2000112.6E105 I121 F362E105-L109 HydrophobicContact CG-CD1 3.67Å; E105-L109 HydrophobicContact CG-CG 4.34Å; E105-L109 VanDerWaalsContact O-CB 3.29Å; E105-L109 WeakPolarHBondContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CG 3.43Å; E105-L109 PolarHBondContact O-N 3.15Å; L109-I121 HydrophobicContact CD2-CD1 3.63Å; L109-F362 HydrophobicContact CD1-CD1 4Å; L109-F362 HydrophobicContact CD1-CE1 4.37Å
110Y89.9Confident87.9Confident15 Ų1548.3 Ų48.36%0.05925%0.253CS..Iπ-helixtrans-120-33-167-52.4-65000114.2I106 G368 L370I106-Y110 HydrophobicContact CG2-CD2 4.41Å; I106-Y110 PolarHBondContact O-N 2.9Å; Y110-G368 WeakPolarHBondContact CD1-O 3.37Å; Y110-G368 WeakPolarHBondContact CE1-O 3.37Å; Y110-L370 HydrophobicContact CD1-CB 4.02Å; Y110-L370 HydrophobicContact CE1-CB 3.95Å; Y110-L370 HydrophobicContact CE2-CD1 4.24Å; Y110-L370 HydrophobicContact CG-CB 4.37Å
111A89.8Confident87.4Confident36 Ų3650.6 Ų50.630%0.29827%0.265SS..Iπ-helixtrans-86.5-54.4-175.300000112.6I106 F107 I384I106-A111 PolarHBondContact O-N 3.12Å; I106-A111 VanDerWaalsContact O-N 3.17Å; F107-A111 HydrophobicContact CD2-CB 4.17Å; F107-A111 WeakPolarHBondContact O-CB 3.25Å; F107-A111 PolarHBondContact O-N 2.83Å; A111-I384 HydrophobicContact CB-CG2 3.7Å
112V89.4Confident87.2Confident62 Ų6256.5 Ų56.538%0.37629%0.287SS..  trans-138.876.2-176.9-167.10000110.1F107 Q114 A115F107-V112 HydrophobicContact CE1-CB 4.42Å; F107-V112 HydrophobicContact CE2-CB 4.32Å; F107-V112 HydrophobicContact CE2-CG2 3.77Å; F107-V112 HydrophobicContact CZ-CB 4.03Å; F107-V112 HydrophobicContact CZ-CG2 3.88Å; F107-V112 PolarHBondContact O-N 3.04Å; V112-Q114 PolarHBondContact O-N 3.36Å; V112-Q114 VanDerWaalsContact O-N 3.16Å; V112-A115 HydrophobicContact CB-CB 4.22Å; V112-A115 HydrophobicContact CG1-CB 3.91Å; V112-A115 VanDerWaalsContact O-CB 3.29Å; V112-A115 WeakPolarHBondContact O-CB 3.44Å; V112-A115 PolarHBondContact O-N 3.28Å
113P83.9Confident87.2Confident59 Ų5960.2 Ų60.238%0.38330%0.304SS..G310 helixtrans-60.2-25.5178.8-23.734.5000114.2L108 A115 K116L108-P113 WeakPolarHBondContact O-CA 3.02Å; P113-A115 PolarHBondContact O-N 3.42Å; P113-K116 VanDerWaalsContact O-CG 3.28Å; P113-K116 WeakPolarHBondContact O-CG 3.48Å; P113-K116 PolarHBondContact O-N 3.43Å
114Q82.7Confident87.1Confident191 Ų19160.3 Ų60.389%0.89331%0.305SS*.G310 helixtrans-70.5-9.2176.3-54.2-161.57.300113.6V112 K116V112-Q114 PolarHBondContact O-N 3.36Å; V112-Q114 VanDerWaalsContact O-N 3.16Å; Q114-K116 PolarHBondContact O-N 2.79Å
115A85.1Confident87Confident19 Ų1961.3 Ų61.316%0.15731%0.308CS..G310 helixtrans-82.42.1176.200000113.2F107 L108 V112 P113 I117 F128F107-A115 HydrophobicContact CE1-CB 4.02Å; L108-A115 HydrophobicContact CD2-CB 4.09Å; V112-A115 HydrophobicContact CB-CB 4.22Å; V112-A115 HydrophobicContact CG1-CB 3.91Å; V112-A115 VanDerWaalsContact O-CB 3.29Å; V112-A115 WeakPolarHBondContact O-CB 3.44Å; V112-A115 PolarHBondContact O-N 3.28Å; P113-A115 PolarHBondContact O-N 3.42Å; A115-I117 PolarHBondContact O-N 2.8Å; A115-F128 HydrophobicContact CB-CE2 4.5Å; A115-F128 HydrophobicContact CB-CZ 3.89Å; A115-F128 WeakPolarHBondContact O-CE2 3.41Å
116K84.2Confident87.2Confident57 Ų5763.7 Ų63.725%0.24832%0.316CS..  trans-67.1109.5169.7-65.7174.4-172.5-178.90108.9L108 P113 Q114 D196L108-K116 HydrophobicContact CD2-CG 4.38Å; P113-K116 VanDerWaalsContact O-CG 3.28Å; P113-K116 WeakPolarHBondContact O-CG 3.48Å; P113-K116 PolarHBondContact O-N 3.43Å; Q114-K116 PolarHBondContact O-N 2.79Å; K116-D196 IonicContact NZ-OD1 2.66Å; K116-D196 PolarHBondContact NZ-OD1 2.91Å; K116-D196 IonicContact NZ-OD2 2.67Å; K116-D196 PolarHBondContact NZ-OD2 3.33Å
117I84.8Confident87.3Confident115 Ų11566.8 Ų66.859%0.5933%0.332SS*.  trans-97.6-29.7-176.4-62.3159.1000111.8A115 L127 F128A115-I117 PolarHBondContact O-N 2.8Å; I117-L127 HydrophobicContact CD1-CD2 4.17Å; I117-F128 HydrophobicContact CD1-CE2 4.36Å; I117-F128 HydrophobicContact CD1-CZ 4.49Å
118F85.1Confident87.4Confident99 Ų9966.2 Ų66.243%0.43433%0.33SS..SBendtrans-109147.9-179.3-57.7-74.8000110.1D120 H123 C124 L127F118-D120 PolarHBondContact O-N 3.28Å; F118-H123 HydrophobicContact CB-CB 4.04Å; F118-H123 HydrophobicContact CD2-CB 3.89Å; F118-H123 HydrophobicContact CG-CB 3.99Å; F118-C124 PolarHBondContact N-SG 3.47Å; F118-C124 VanDerWaalsContact N-SG 3.37Å; F118-L127 HydrophobicContact CE2-CD2 3.95Å
119D79Confident87.5Confident181 Ų18166.2 Ų66.297%0.96833%0.33SS*.SBendtrans-59.5-39175.1-58.4-29.7000111.4I121D119-I121 PolarHBondContact O-N 3.44Å
120D82.4Confident87.9Confident62 Ų6265.8 Ų65.833%0.33233%0.33SS..SBendtrans-84.7113.9174.4-179.83.4000111F118 Y122 H123 C124F118-D120 PolarHBondContact O-N 3.28Å; D120-Y122 PolarHBondContact O-N 3.3Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.26Å; D120-Y122 WeakPolarHBondContact OD1-CD2 3.44Å; D120-Y122 PolarHBondContact OD1-N 3.23Å; D120-H123 WeakPolarHBondContact CB-ND1 3.28Å; D120-H123 WeakPolarHBondContact O-CB 3.38Å; D120-H123 PolarHBondContact O-N 3.4Å; D120-H123 IonicContact OD2-CE1 3.27Å; D120-H123 PolarHBondContact OD2-CE1 3.04Å; D120-H123 VanDerWaalsContact OD2-CE1 3.23Å; D120-H123 IonicContact OD2-ND1 3.42Å; D120-H123 PolarHBondContact OD2-ND1 3.46Å; D120-C124 PolarHBondContact O-N 2.91Å
121I83.2Confident88.2Confident47 Ų4769.9 Ų69.924%0.24135%0.352CS..Hα-helixtrans-58.3-29.3179.3-160167.6000113L109 D119 H123 C124 Y125L109-I121 HydrophobicContact CD2-CD1 3.63Å; D119-I121 PolarHBondContact O-N 3.44Å; I121-H123 VanDerWaalsContact C-N 3.34Å; I121-H123 PolarHBondContact O-N 3.43Å; I121-C124 WeakPolarHBondContact O-CB 3.39Å; I121-C124 PolarHBondContact O-N 3.35Å; I121-Y125 HydrophobicContact CD1-CE1 4.22Å; I121-Y125 HydrophobicContact CD1-CE2 4.34Å; I121-Y125 VanDerWaalsContact CD1-OH 3.22Å; I121-Y125 WeakPolarHBondContact CD1-OH 3.41Å; I121-Y125 HydrophobicContact CG1-CE1 3.91Å; I121-Y125 HydrophobicContact CG1-CE2 3.95Å; I121-Y125 HydrophobicContact CG2-CE2 4.15Å; I121-Y125 WeakPolarHBondContact O-CD2 3.47Å; I121-Y125 PolarHBondContact O-N 3.03Å
122Y85.3Confident88.5Confident133 Ų13369.5 Ų69.552%0.52235%0.345SS..Hα-helixtrans-67.7-34.3177.9-64.6-71.7000112.1D120 C124 Y125 R126D120-Y122 PolarHBondContact O-N 3.3Å; D120-Y122 WeakPolarHBondContact OD1-CB 3.26Å; D120-Y122 WeakPolarHBondContact OD1-CD2 3.44Å; D120-Y122 PolarHBondContact OD1-N 3.23Å; Y122-C124 VanDerWaalsContact C-N 3.33Å; Y122-Y125 HydrophobicContact CD1-CD2 4.11Å; Y122-Y125 HydrophobicContact CD1-CE2 4.49Å; Y122-Y125 PolarHBondContact O-N 3.32Å; Y122-R126 VanDerWaalsContact O-CG 3.29Å; Y122-R126 WeakPolarHBondContact O-CG 3.35Å; Y122-R126 PolarHBondContact O-N 2.86Å
123H89.2Confident88.9Confident81 Ų8166.6 Ų66.638%0.37533%0.327SS..Hα-helixtrans-68-35.5173-69.7105.6000111.7F118 D120 I121 R126 L127F118-H123 HydrophobicContact CB-CB 4.04Å; F118-H123 HydrophobicContact CD2-CB 3.89Å; F118-H123 HydrophobicContact CG-CB 3.99Å; D120-H123 WeakPolarHBondContact CB-ND1 3.28Å; D120-H123 WeakPolarHBondContact O-CB 3.38Å; D120-H123 PolarHBondContact O-N 3.4Å; D120-H123 IonicContact OD2-CE1 3.27Å; D120-H123 PolarHBondContact OD2-CE1 3.04Å; D120-H123 VanDerWaalsContact OD2-CE1 3.23Å; D120-H123 IonicContact OD2-ND1 3.42Å; D120-H123 PolarHBondContact OD2-ND1 3.46Å; I121-H123 VanDerWaalsContact C-N 3.34Å; I121-H123 PolarHBondContact O-N 3.43Å; H123-R126 PolarHBondContact CD2-NH1 2.92Å; H123-R126 VanDerWaalsContact CD2-NH1 3.31Å; H123-R126 PolarHBondContact NE2-NH1 3.4Å; H123-R126 PolarHBondContact O-N 3.41Å; H123-L127 PolarHBondContact O-N 3.44Å; H123-L127 VanDerWaalsContact O-N 3.08Å
124C90.4Very high89.5Confident1 Ų166.4 Ų66.41%0.00733%0.33CS..Hα-helixtrans-62.9-47.2171.4-64.60000111.1L108 F118 D120 I121 Y122 R126 L127 F128L108-C124 HydrophobicContact CD1-CB 3.7Å; L108-C124 HydrophobicContact CD2-CB 4.45Å; F118-C124 PolarHBondContact N-SG 3.47Å; F118-C124 VanDerWaalsContact N-SG 3.37Å; D120-C124 PolarHBondContact O-N 2.91Å; I121-C124 WeakPolarHBondContact O-CB 3.39Å; I121-C124 PolarHBondContact O-N 3.35Å; Y122-C124 VanDerWaalsContact C-N 3.33Å; C124-R126 VanDerWaalsContact C-N 3.33Å; C124-R126 PolarHBondContact O-N 3.22Å; C124-L127 PolarHBondContact O-N 2.82Å; C124-F128 WeakPolarHBondContact O-CD2 3.37Å; C124-F128 PolarHBondContact O-N 3.29Å
125Y90.7Very high90.2Very high24 Ų2461.4 Ų61.49%0.09431%0.313CS..Hα-helixtrans-58-44.6177-63.6-32.2000112.3E105 L108 I121 Y122 A129E105-Y125 HydrophobicContact CB-CE1 4.23Å; E105-Y125 HydrophobicContact CG-CE1 4.42Å; L108-Y125 HydrophobicContact CB-CE1 4.17Å; L108-Y125 HydrophobicContact CD1-CD1 3.59Å; L108-Y125 HydrophobicContact CD1-CE1 4.01Å; I121-Y125 HydrophobicContact CD1-CE1 4.22Å; I121-Y125 HydrophobicContact CD1-CE2 4.34Å; I121-Y125 VanDerWaalsContact CD1-OH 3.22Å; I121-Y125 WeakPolarHBondContact CD1-OH 3.41Å; I121-Y125 HydrophobicContact CG1-CE1 3.91Å; I121-Y125 HydrophobicContact CG1-CE2 3.95Å; I121-Y125 HydrophobicContact CG2-CE2 4.15Å; I121-Y125 WeakPolarHBondContact O-CD2 3.47Å; I121-Y125 PolarHBondContact O-N 3.03Å; Y122-Y125 HydrophobicContact CD1-CD2 4.11Å; Y122-Y125 HydrophobicContact CD1-CE2 4.49Å; Y122-Y125 PolarHBondContact O-N 3.32Å; Y125-A129 WeakPolarHBondContact O-CB 3.37Å; Y125-A129 PolarHBondContact O-N 3.11Å
126R92.5Very high90.7Very high70 Ų7060.6 Ų60.626%0.26431%0.306SS..Hα-helixtrans-57-53.3176-71168.3-176.3158.25.9111.3Y122 H123 C124 A129 S130 L446 A448Y122-R126 VanDerWaalsContact O-CG 3.29Å; Y122-R126 WeakPolarHBondContact O-CG 3.35Å; Y122-R126 PolarHBondContact O-N 2.86Å; H123-R126 PolarHBondContact CD2-NH1 2.92Å; H123-R126 VanDerWaalsContact CD2-NH1 3.31Å; H123-R126 PolarHBondContact NE2-NH1 3.4Å; H123-R126 PolarHBondContact O-N 3.41Å; C124-R126 VanDerWaalsContact C-N 3.33Å; C124-R126 PolarHBondContact O-N 3.22Å; R126-A129 PolarHBondContact O-N 3.45Å; R126-S130 WeakPolarHBondContact O-CB 3.31Å; R126-S130 PolarHBondContact O-N 3.09Å; R126-S130 PolarHBondContact O-OG 3.26Å; R126-L446 PolarHBondContact NE-O 3.1Å; R126-A448 HydrophobicContact CG-CB 3.89Å
127L93.4Very high91.3Very high65 Ų6558.5 Ų58.534%0.3430%0.298SS..Hα-helixtrans-59.3-52.4-177.617762.5000112.1I117 F118 H123 C124 S130 L131I117-L127 HydrophobicContact CD1-CD2 4.17Å; F118-L127 HydrophobicContact CE2-CD2 3.95Å; H123-L127 PolarHBondContact O-N 3.44Å; H123-L127 VanDerWaalsContact O-N 3.08Å; C124-L127 PolarHBondContact O-N 2.82Å; L127-S130 PolarHBondContact O-N 3.36Å; L127-L131 HydrophobicContact CD1-CD1 4.18Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CG 3.46Å; L127-L131 PolarHBondContact O-N 3.1Å
128F94.2Very high91.8Very high42 Ų4257 Ų5718%0.18430%0.297CS..Hα-helixtrans-68.7-36.9-176.7-81.4-84.6000112.5A104 F107 L108 A115 I117 C124 L132A104-F128 HydrophobicContact CB-CB 4.07Å; F107-F128 AromaticContact CD1-CD1 3.89Å; F107-F128 HydrophobicContact CD1-CD1 3.89Å; F107-F128 HydrophobicContact CD1-CE1 4.05Å; F107-F128 HydrophobicContact CD1-CG 4.47Å; F107-F128 AromaticContact CE1-CD1 3.76Å; F107-F128 HydrophobicContact CE1-CD1 3.76Å; F107-F128 AromaticContact CE1-CE1 3.45Å; F107-F128 HydrophobicContact CE1-CE1 3.45Å; F107-F128 VanDerWaalsContact CE1-CE1 3.45Å; F107-F128 HydrophobicContact CE1-CZ 4.12Å; F107-F128 HydrophobicContact CZ-CE1 4.38Å; L108-F128 HydrophobicContact CD1-CB 4.31Å; L108-F128 HydrophobicContact CD1-CD2 3.77Å; L108-F128 HydrophobicContact CD1-CE2 4.47Å; L108-F128 HydrophobicContact CD1-CG 4.23Å; L108-F128 HydrophobicContact CD2-CD2 3.83Å; L108-F128 HydrophobicContact CD2-CE2 3.7Å; L108-F128 HydrophobicContact CD2-CZ 4.3Å; L108-F128 HydrophobicContact CG-CD2 4.12Å; L108-F128 HydrophobicContact CG-CE2 4.48Å; L108-F128 HydrophobicContact CG-CG 4.47Å; A115-F128 HydrophobicContact CB-CE2 4.5Å; A115-F128 HydrophobicContact CB-CZ 3.89Å; A115-F128 WeakPolarHBondContact O-CE2 3.41Å; I117-F128 HydrophobicContact CD1-CE2 4.36Å; I117-F128 HydrophobicContact CD1-CZ 4.49Å; C124-F128 WeakPolarHBondContact O-CD2 3.37Å; C124-F128 PolarHBondContact O-N 3.29Å; F128-L132 VanDerWaalsContact O-CB 3.3Å; F128-L132 WeakPolarHBondContact O-CB 3.24Å; F128-L132 PolarHBondContact O-N 3.07Å
129A94.8Very high92.2Very high0 Ų053.5 Ų53.50%028%0.283CS..Hα-helixtrans-67.1-41.1175.200000112.1I100 L101 A104 Y125 R126 L132 L133 I445I100-A129 HydrophobicContact CG2-CB 4Å; I100-A129 WeakPolarHBondContact CG2-O 3.24Å; L101-A129 HydrophobicContact CD1-CB 3.61Å; A104-A129 HydrophobicContact CB-CB 4.07Å; Y125-A129 WeakPolarHBondContact O-CB 3.37Å; Y125-A129 PolarHBondContact O-N 3.11Å; R126-A129 PolarHBondContact O-N 3.45Å; A129-L132 PolarHBondContact O-N 3.46Å; A129-L133 WeakPolarHBondContact O-CB 3.17Å; A129-L133 PolarHBondContact O-N 3.47Å; A129-I445 HydrophobicContact CB-CD1 4.17Å; A129-I445 HydrophobicContact CB-CG1 4.39Å; A129-I445 HydrophobicContact CB-CG2 3.61Å
130S95.9Very high93Very high23 Ų2345 Ų4516%0.16124%0.237CC..Hα-helixtrans-64.5-42.2175.2-64.40000111.9R126 L127 L133 A134 E442R126-S130 WeakPolarHBondContact O-CB 3.31Å; R126-S130 PolarHBondContact O-N 3.09Å; R126-S130 PolarHBondContact O-OG 3.26Å; L127-S130 PolarHBondContact O-N 3.36Å; S130-L133 PolarHBondContact O-N 3.13Å; S130-A134 PolarHBondContact O-N 2.99Å; S130-E442 WeakPolarHBondContact CB-OE1 3.29Å; S130-E442 PolarHBondContact OG-OE1 3.2Å; S130-E442 PolarHBondContact OG-OE2 3.19Å
131L96.4Very high93.5Very high100 Ų10044.8 Ų44.852%0.52424%0.238SC..Hα-helixtrans-61.4-45173.9-72.1173.6000111.6L127 A134 V135L127-L131 HydrophobicContact CD1-CD1 4.18Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CG 3.46Å; L127-L131 PolarHBondContact O-N 3.1Å; L131-A134 WeakPolarHBondContact O-CB 3.41Å; L131-A134 PolarHBondContact O-N 2.93Å; L131-V135 WeakPolarHBondContact O-CG2 3.22Å; L131-V135 PolarHBondContact O-N 3.13Å; L131-V135 VanDerWaalsContact O-N 3.14Å
132L96.2Very high93.9Very high28 Ų2844.8 Ų44.815%0.14724%0.242CC..Hα-helixtrans-66.5-38.8177.8-178.764.4000111.6I100 F128 A129 A134 V135 I136 F388 A392I100-L132 HydrophobicContact CG2-CB 4.25Å; I100-L132 HydrophobicContact CG2-CD2 4.06Å; I100-L132 HydrophobicContact CG2-CG 4.26Å; F128-L132 VanDerWaalsContact O-CB 3.3Å; F128-L132 WeakPolarHBondContact O-CB 3.24Å; F128-L132 PolarHBondContact O-N 3.07Å; A129-L132 PolarHBondContact O-N 3.46Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.18Å; L132-V135 PolarHBondContact O-N 2.78Å; L132-I136 HydrophobicContact CD1-CD1 4.16Å; L132-I136 HydrophobicContact CD1-CG1 4.34Å; L132-I136 HydrophobicContact CD2-CD1 4.43Å; L132-I136 HydrophobicContact CG-CD1 3.87Å; L132-I136 HydrophobicContact CG-CG1 4.44Å; L132-I136 WeakPolarHBondContact O-CB 3.46Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.24Å; L132-F388 HydrophobicContact CD1-CZ 4.46Å; L132-A392 HydrophobicContact CD1-CB 4.4Å; L132-A392 HydrophobicContact CD2-CB 4.19Å
133L97.3Very high94.1Very high2 Ų238.5 Ų38.51%0.0122%0.218CC..Hα-helixtrans-61.4-39.8173.7176.160.5000111.3I100 A129 S130 I136 S137 L399 T438 C441 E442 I445I100-L133 HydrophobicContact CD1-CB 4.22Å; I100-L133 HydrophobicContact CD1-CD1 3.66Å; I100-L133 HydrophobicContact CG2-CB 4.45Å; A129-L133 WeakPolarHBondContact O-CB 3.17Å; A129-L133 PolarHBondContact O-N 3.47Å; S130-L133 PolarHBondContact O-N 3.13Å; L133-I136 PolarHBondContact O-N 2.96Å; L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 2.89Å; L133-L399 HydrophobicContact CD1-CD2 3.89Å; L133-T438 HydrophobicContact CD1-CG2 4.36Å; L133-T438 HydrophobicContact CD2-CG2 4.2Å; L133-T438 HydrophobicContact CG-CG2 4.2Å; L133-C441 HydrophobicContact CD1-CB 4.29Å; L133-C441 HydrophobicContact CD2-CB 3.95Å; L133-E442 HydrophobicContact CD2-CB 3.97Å; L133-E442 WeakPolarHBondContact CD2-OE2 3.41Å; L133-I445 HydrophobicContact CB-CD1 4.04Å; L133-I445 HydrophobicContact CD2-CD1 3.78Å; L133-I445 HydrophobicContact CG-CD1 4.46Å
134A97.5Very high94Very high54 Ų5434.7 Ų34.745%0.44620%0.2SC..Hα-helixtrans-61.2-46.1175.400000111.4S130 L131 L132 S137 C138S130-A134 PolarHBondContact O-N 2.99Å; L131-A134 WeakPolarHBondContact O-CB 3.41Å; L131-A134 PolarHBondContact O-N 2.93Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.18Å; A134-S137 PolarHBondContact O-N 3.17Å; A134-C138 PolarHBondContact O-N 3.41Å; A134-C138 PolarHBondContact O-SG 3.31Å; A134-C138 VanDerWaalsContact O-SG 3.33Å
135V96.7Very high93.8Very high86 Ų8638 Ų3852%0.52122%0.223SC..Hα-helixtrans-61.8-49.1176.3175.50000111.3L131 L132 S137 C138 I139L131-V135 WeakPolarHBondContact O-CG2 3.22Å; L131-V135 PolarHBondContact O-N 3.13Å; L131-V135 VanDerWaalsContact O-N 3.14Å; L132-V135 PolarHBondContact O-N 2.78Å; V135-S137 VanDerWaalsContact C-N 3.32Å; V135-S137 PolarHBondContact O-N 3.14Å; V135-C138 WeakPolarHBondContact O-CB 3.43Å; V135-C138 PolarHBondContact O-N 2.88Å; V135-I139 HydrophobicContact CG1-CD1 4.26Å; V135-I139 WeakPolarHBondContact O-CG1 3.33Å; V135-I139 PolarHBondContact O-N 3.36Å; V135-I139 VanDerWaalsContact O-N 3.13Å
136I96.6Very high93.8Very high3 Ų338.7 Ų38.72%0.01523%0.23CC..Hα-helixtrans-61.5-42.3178.5-70.5171.3000110.6I100 L132 L133 C138 I139 V140 A392 M396 L399I100-I136 HydrophobicContact CD1-CD1 3.97Å; I100-I136 HydrophobicContact CG1-CD1 3.86Å; L132-I136 HydrophobicContact CD1-CD1 4.16Å; L132-I136 HydrophobicContact CD1-CG1 4.34Å; L132-I136 HydrophobicContact CD2-CD1 4.43Å; L132-I136 HydrophobicContact CG-CD1 3.87Å; L132-I136 HydrophobicContact CG-CG1 4.44Å; L132-I136 WeakPolarHBondContact O-CB 3.46Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.24Å; L133-I136 PolarHBondContact O-N 2.96Å; I136-C138 VanDerWaalsContact C-N 3.34Å; I136-C138 PolarHBondContact O-N 3.49Å; I136-I139 WeakPolarHBondContact O-CB 3.25Å; I136-I139 PolarHBondContact O-N 3.46Å; I136-I139 VanDerWaalsContact O-N 3.13Å; I136-V140 HydrophobicContact CG2-CG2 4.19Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 3.28Å; I136-A392 HydrophobicContact CD1-CB 4.32Å; I136-M396 HydrophobicContact CG1-CE 4.47Å; I136-M396 HydrophobicContact CG2-CB 3.86Å; I136-M396 HydrophobicContact CG2-CG 4.07Å; I136-L399 HydrophobicContact CG2-CD2 4.03Å
137S95.9Very high93.8Very high12 Ų1235.3 Ų35.38%0.08422%0.217CC..Hα-helixtrans-62.1-41.1178.4-63.90000111.4L133 A134 V135 I139 V140 V141 T438L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 2.89Å; A134-S137 PolarHBondContact O-N 3.17Å; V135-S137 VanDerWaalsContact C-N 3.32Å; V135-S137 PolarHBondContact O-N 3.14Å; S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.44Å; S137-V140 PolarHBondContact O-N 2.86Å; S137-V141 WeakPolarHBondContact O-CB 3.4Å; S137-V141 VanDerWaalsContact O-CG2 3.25Å; S137-V141 WeakPolarHBondContact O-CG2 3.37Å; S137-V141 PolarHBondContact O-N 3.47Å; S137-T438 WeakPolarHBondContact OG-CG2 3.23Å; S137-T438 PolarHBondContact OG-OG1 3.4Å; S137-T438 VanDerWaalsContact OG-OG1 3.07Å
138C95.4Very high93.6Very high85 Ų8533 Ų3357%0.57421%0.205SC*.Hα-helixtrans-59.7-41.6173.1-72.90000112.3A134 V135 I136 S142A134-C138 PolarHBondContact O-N 3.41Å; A134-C138 PolarHBondContact O-SG 3.31Å; A134-C138 VanDerWaalsContact O-SG 3.33Å; V135-C138 WeakPolarHBondContact O-CB 3.43Å; V135-C138 PolarHBondContact O-N 2.88Å; I136-C138 VanDerWaalsContact C-N 3.34Å; I136-C138 PolarHBondContact O-N 3.49Å; C138-S142 WeakPolarHBondContact O-CB 3.43Å; C138-S142 PolarHBondContact O-N 3.13Å; C138-S142 VanDerWaalsContact O-N 3.08Å; C138-S142 PolarHBondContact O-OG 2.54Å
139I94.4Very high93.5Very high25 Ų2538.6 Ų38.613%0.12823%0.229CC..Hα-helixtrans-65.7-43.6176.6-63.7168.7000110.9V135 I136 S137 S142 V146 V147 F150 M396V135-I139 HydrophobicContact CG1-CD1 4.26Å; V135-I139 WeakPolarHBondContact O-CG1 3.33Å; V135-I139 PolarHBondContact O-N 3.36Å; V135-I139 VanDerWaalsContact O-N 3.13Å; I136-I139 WeakPolarHBondContact O-CB 3.25Å; I136-I139 PolarHBondContact O-N 3.46Å; I136-I139 VanDerWaalsContact O-N 3.13Å; S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.44Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.29Å; I139-S142 PolarHBondContact O-N 3.08Å; I139-V146 HydrophobicContact CG2-CG1 4.4Å; I139-V147 HydrophobicContact CG2-CG2 4.13Å; I139-F150 HydrophobicContact CG1-CE2 4.44Å; I139-F150 HydrophobicContact CG2-CD2 3.87Å; I139-F150 HydrophobicContact CG2-CE2 4.38Å; I139-F150 HydrophobicContact CG2-CG 4.43Å; I139-M396 HydrophobicContact CD1-CE 3.94Å; I139-M396 HydrophobicContact CG2-CE 4.27Å; I139-M396 HydrophobicContact CG2-SD 3.89Å
140V93.8Very high93.2Very high1 Ų143.8 Ų43.81%0.00625%0.252CS..Hα-helixtrans-67.7-43.2-179.6173.10000111.5I136 S137 S142 G143 V147 M396 L399 I434I136-V140 HydrophobicContact CG2-CG2 4.19Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 3.28Å; S137-V140 PolarHBondContact O-N 2.86Å; V140-S142 PolarHBondContact O-N 3.03Å; V140-G143 WeakPolarHBondContact O-CA 3.37Å; V140-G143 PolarHBondContact O-N 3.4Å; V140-V147 HydrophobicContact CG2-CG2 4.29Å; V140-M396 HydrophobicContact CG2-CG 4.04Å; V140-L399 WeakPolarHBondContact CG1-O 3.43Å; V140-L399 HydrophobicContact CG2-CB 4.32Å; V140-L399 HydrophobicContact CG2-CD2 4.33Å; V140-L399 HydrophobicContact CG2-CG 4.5Å; V140-I434 HydrophobicContact CG1-CD1 4.34Å; V140-I434 HydrophobicContact CG1-CG1 4.41Å; V140-I434 HydrophobicContact CG1-CG2 4.18Å
141V93.8Very high92.9Very high59 Ų5942.7 Ų42.736%0.35824%0.244SC..Hα-helixtrans-60.6-32.2173.6170.30000111.3S137 G143 L431 I434S137-V141 WeakPolarHBondContact O-CB 3.4Å; S137-V141 VanDerWaalsContact O-CG2 3.25Å; S137-V141 WeakPolarHBondContact O-CG2 3.37Å; S137-V141 PolarHBondContact O-N 3.47Å; V141-G143 PolarHBondContact O-N 3.22Å; V141-L431 HydrophobicContact CG1-CD1 4.07Å; V141-L431 HydrophobicContact CG2-CD1 4.21Å; V141-I434 HydrophobicContact CG2-CG2 3.75Å
142S91.8Very high92.6Very high47 Ų4742.3 Ų42.333%0.32924%0.242SC..THydrogen-bonded Turntrans-67.1-10.1174.6-60.30000113.6C138 I139 V140 R427C138-S142 WeakPolarHBondContact O-CB 3.43Å; C138-S142 PolarHBondContact O-N 3.13Å; C138-S142 VanDerWaalsContact O-N 3.08Å; C138-S142 PolarHBondContact O-OG 2.54Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.29Å; I139-S142 PolarHBondContact O-N 3.08Å; V140-S142 PolarHBondContact O-N 3.03Å; S142-R427 VanDerWaalsContact O-CZ 3.26Å; S142-R427 PolarHBondContact O-NH1 2.83Å; S142-R427 PolarHBondContact O-NH2 3.43Å
143G89.3Confident92.4Very high0 Ų045 Ų450%026%0.262CS..  trans98.8164.5168.500000114.8V140 V141 S145 V146 V147 E429V140-G143 WeakPolarHBondContact O-CA 3.37Å; V140-G143 PolarHBondContact O-N 3.4Å; V141-G143 PolarHBondContact O-N 3.22Å; G143-S145 VanDerWaalsContact C-N 3.26Å; G143-S145 PolarHBondContact O-N 3.48Å; G143-V146 WeakPolarHBondContact O-CB 3.48Å; G143-V146 PolarHBondContact O-N 3.5Å; G143-V147 PolarHBondContact O-N 2.99Å; G143-V147 VanDerWaalsContact O-N 3.1Å; G143-E429 WeakPolarHBondContact CA-OE1 3.2Å
144V86.6Confident92.1Very high2 Ų245.3 Ų45.31%0.01226%0.263CS..Hα-helixtrans-62.8-31.5-170.1-163.40000113.5M1 V146 V147 N148 T400 E429M1-V144 HydrophobicContact CE-CB 3.64Å; M1-V144 HydrophobicContact CE-CG1 3.38Å; M1-V144 HydrophobicContact CE-CG2 4.33Å; M1-V144 HydrophobicContact SD-CG1 4.1Å; V144-V146 PolarHBondContact O-N 2.99Å; V144-V147 PolarHBondContact O-N 2.83Å; V144-N148 WeakPolarHBondContact O-CB 3.21Å; V144-N148 PolarHBondContact O-N 3.22Å; V144-N148 PolarHBondContact O-ND2 3.47Å; V144-T400 HydrophobicContact CG1-CG2 4.42Å; V144-T400 HydrophobicContact CG2-CG2 4.22Å; V144-E429 PolarHBondContact N-OE1 3.46Å
145S86.8Confident91.8Very high69 Ų6943.1 Ų43.148%0.48324%0.244SC..Hα-helixtrans-62.5-34.3177.756.80000111.8G143 K149G143-S145 VanDerWaalsContact C-N 3.26Å; G143-S145 PolarHBondContact O-N 3.48Å; S145-K149 WeakPolarHBondContact O-CG 3.35Å; S145-K149 PolarHBondContact O-N 3.03Å
146V90.8Very high91.6Very high39 Ų3942 Ų4224%0.23624%0.244CC..Hα-helixtrans-76.7-47.3175.8-179.80000110I139 G143 V144 N148 K149 F150I139-V146 HydrophobicContact CG2-CG1 4.4Å; G143-V146 WeakPolarHBondContact O-CB 3.48Å; G143-V146 PolarHBondContact O-N 3.5Å; V144-V146 PolarHBondContact O-N 2.99Å; V146-N148 VanDerWaalsContact C-N 3.25Å; V146-N148 PolarHBondContact O-N 2.91Å; V146-K149 WeakPolarHBondContact O-CB 3.14Å; V146-K149 PolarHBondContact O-N 3.3Å; V146-F150 HydrophobicContact CG1-CD2 3.8Å; V146-F150 HydrophobicContact CG1-CE2 3.66Å; V146-F150 WeakPolarHBondContact O-CD2 3.23Å; V146-F150 PolarHBondContact O-N 3.11Å; V146-F150 VanDerWaalsContact O-N 3.12Å
147V91.7Very high91.4Very high0 Ų044.1 Ų44.10%026%0.255CS..Hα-helixtrans-50.5-46.8174.7171.90000111.3I139 V140 G143 V144 K149 F150 A151 M396 T400I139-V147 HydrophobicContact CG2-CG2 4.13Å; V140-V147 HydrophobicContact CG2-CG2 4.29Å; G143-V147 PolarHBondContact O-N 2.99Å; G143-V147 VanDerWaalsContact O-N 3.1Å; V144-V147 PolarHBondContact O-N 2.83Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 2.86Å; V147-F150 PolarHBondContact O-N 3.12Å; V147-A151 WeakPolarHBondContact O-CB 3.45Å; V147-A151 PolarHBondContact O-N 3.28Å; V147-M396 HydrophobicContact CG1-CG 4.09Å; V147-M396 HydrophobicContact CG1-SD 3.91Å; V147-T400 HydrophobicContact CG1-CG2 4.44Å
148N90Very high91.2Very high16 Ų1643.8 Ų43.89%0.08625%0.252CS..Hα-helixtrans-66.5-31-179.8-70.9-14.8000113.2V5 M9 V144 V146 L152 R316V5-N148 HydrophobicContact CG1-CB 3.86Å; V5-N148 WeakPolarHBondContact CG1-ND2 3.1Å; M9-N148 WeakPolarHBondContact CE-O 3.29Å; V144-N148 WeakPolarHBondContact O-CB 3.21Å; V144-N148 PolarHBondContact O-N 3.22Å; V144-N148 PolarHBondContact O-ND2 3.47Å; V146-N148 VanDerWaalsContact C-N 3.25Å; V146-N148 PolarHBondContact O-N 2.91Å; N148-L152 PolarHBondContact O-N 2.85Å; N148-R316 PolarHBondContact OD1-NH1 3Å
149K91.2Very high91Very high159 Ų15942.3 Ų42.369%0.69124%0.239SC*.Hα-helixtrans-68-42.5174.9-73.5175.5-179.8-173.30111.3S145 V146 V147 P153S145-K149 WeakPolarHBondContact O-CG 3.35Å; S145-K149 PolarHBondContact O-N 3.03Å; V146-K149 WeakPolarHBondContact O-CB 3.14Å; V146-K149 PolarHBondContact O-N 3.3Å; V147-K149 VanDerWaalsContact C-N 3.32Å; V147-K149 PolarHBondContact O-N 2.86Å; K149-P153 WeakPolarHBondContact O-CD 3.49Å
150F89.5Confident91Very high109 Ų10945 Ų4548%0.47825%0.253SS..Hα-helixtrans-69.4-37175.7-81-79.7000112.7I139 V146 V147 L152 P153 T154I139-F150 HydrophobicContact CG1-CE2 4.44Å; I139-F150 HydrophobicContact CG2-CD2 3.87Å; I139-F150 HydrophobicContact CG2-CE2 4.38Å; I139-F150 HydrophobicContact CG2-CG 4.43Å; V146-F150 HydrophobicContact CG1-CD2 3.8Å; V146-F150 HydrophobicContact CG1-CE2 3.66Å; V146-F150 WeakPolarHBondContact O-CD2 3.23Å; V146-F150 PolarHBondContact O-N 3.11Å; V146-F150 VanDerWaalsContact O-N 3.12Å; V147-F150 PolarHBondContact O-N 3.12Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 3.42Å; F150-P153 WeakPolarHBondContact O-CD 3.34Å; F150-T154 PolarHBondContact O-OG1 2.87Å
151A89.5Confident91Very high0 Ų045 Ų450%025%0.253CS..Hα-helixtrans-68.4-27.2-177.100000113.7M9 V147 T154 I155M9-A151 HydrophobicContact CE-CB 3.26Å; V147-A151 WeakPolarHBondContact O-CB 3.45Å; V147-A151 PolarHBondContact O-N 3.28Å; A151-T154 PolarHBondContact O-N 2.97Å; A151-I155 WeakPolarHBondContact O-CB 3.28Å; A151-I155 WeakPolarHBondContact O-CD1 3.35Å; A151-I155 VanDerWaalsContact O-CG1 3.28Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 2.77Å
152L90.8Very high91Very high92 Ų9242.6 Ų42.648%0.48224%0.238SC..Hα-helixtrans-67.8-51.5-174.2-179.870.9000112.6F4 M9 N148 F150 T154 I155 A156F4-L152 HydrophobicContact CE1-CD1 4.35Å; M9-L152 HydrophobicContact CE-CB 3.77Å; M9-L152 HydrophobicContact CE-CD1 4.42Å; M9-L152 HydrophobicContact SD-CD1 4.31Å; N148-L152 PolarHBondContact O-N 2.85Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 3.42Å; L152-T154 VanDerWaalsContact C-N 3.29Å; L152-T154 PolarHBondContact O-N 3.48Å; L152-I155 PolarHBondContact O-N 3.41Å; L152-A156 PolarHBondContact O-N 3.06Å
153P91.4Very high91.1Very high85 Ų8544.7 Ų44.755%0.55225%0.245SC*.Hα-helixtrans-57.3-41.9171.7-24.733.4000112.8K149 F150 I155 A156 L157K149-P153 WeakPolarHBondContact O-CD 3.49Å; F150-P153 WeakPolarHBondContact O-CD 3.34Å; P153-I155 PolarHBondContact O-N 3.11Å; P153-A156 PolarHBondContact O-N 3.18Å; P153-L157 WeakPolarHBondContact O-CB 3.23Å; P153-L157 PolarHBondContact O-N 3.25Å
154T90.8Very high91.4Very high8 Ų846 Ų465%0.04925%0.252CS..Hα-helixtrans-59-46.6179.2-57.90000111.8F150 A151 L152 L157 V158 M389F150-T154 PolarHBondContact O-OG1 2.87Å; A151-T154 PolarHBondContact O-N 2.97Å; L152-T154 VanDerWaalsContact C-N 3.29Å; L152-T154 PolarHBondContact O-N 3.48Å; T154-L157 PolarHBondContact O-N 3.34Å; T154-V158 VanDerWaalsContact O-CG2 3.27Å; T154-V158 WeakPolarHBondContact O-CG2 3.5Å; T154-V158 PolarHBondContact O-N 3.08Å; T154-M389 HydrophobicContact CG2-CB 3.99Å; T154-M389 WeakPolarHBondContact CG2-O 3.29Å
155I90.6Very high91.7Very high9 Ų946 Ų465%0.04625%0.252CS..Hα-helixtrans-70.7-38-179-70.7165.2000111.6M9 Q13 A151 L152 P153 L157 V158 N159M9-I155 HydrophobicContact CB-CD1 4.06Å; M9-I155 HydrophobicContact CE-CD1 3.66Å; M9-I155 HydrophobicContact CG-CD1 2.99Å; M9-I155 HydrophobicContact CG-CG1 4.42Å; M9-I155 WeakPolarHBondContact O-CD1 3.2Å; M9-I155 HydrophobicContact SD-CD1 4.2Å; Q13-I155 HydrophobicContact CB-CD1 3.63Å; Q13-I155 HydrophobicContact CB-CG1 3.63Å; Q13-I155 HydrophobicContact CG-CD1 4.08Å; Q13-I155 HydrophobicContact CG-CG1 3.7Å; A151-I155 WeakPolarHBondContact O-CB 3.28Å; A151-I155 WeakPolarHBondContact O-CD1 3.35Å; A151-I155 VanDerWaalsContact O-CG1 3.28Å; A151-I155 WeakPolarHBondContact O-CG1 3.43Å; A151-I155 PolarHBondContact O-N 2.77Å; L152-I155 PolarHBondContact O-N 3.41Å; P153-I155 PolarHBondContact O-N 3.11Å; I155-L157 VanDerWaalsContact C-N 3.28Å; I155-L157 PolarHBondContact O-N 3.07Å; I155-V158 PolarHBondContact O-N 3.38Å; I155-N159 WeakPolarHBondContact CG2-ND2 3.47Å; I155-N159 PolarHBondContact O-N 3.09Å; I155-N159 PolarHBondContact O-ND2 3.36Å
156A92.3Very high92.1Very high62 Ų6244.4 Ų44.451%0.51224%0.238SC..Hα-helixtrans-58.5-45173.500000110.7L152 P153 L160L152-A156 PolarHBondContact O-N 3.06Å; P153-A156 PolarHBondContact O-N 3.18Å; A156-L160 VanDerWaalsContact O-CB 3.27Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 PolarHBondContact O-N 3.32Å
157L93.1Very high92.3Very high48 Ų4845.9 Ų45.925%0.25124%0.243SC..Hα-helixtrans-62.8-44.2176.3-179.762.7000112.3P153 T154 I155 L160 C161 I385 M389P153-L157 WeakPolarHBondContact O-CB 3.23Å; P153-L157 PolarHBondContact O-N 3.25Å; T154-L157 PolarHBondContact O-N 3.34Å; I155-L157 VanDerWaalsContact C-N 3.28Å; I155-L157 PolarHBondContact O-N 3.07Å; L157-L160 WeakPolarHBondContact O-CB 3.28Å; L157-L160 PolarHBondContact O-N 2.98Å; L157-C161 PolarHBondContact O-N 3.37Å; L157-C161 PolarHBondContact O-SG 3.14Å; L157-I385 HydrophobicContact CD2-CG2 4.25Å; L157-M389 HydrophobicContact CD2-CB 4.31Å; L157-M389 HydrophobicContact CD2-CG 4.24Å
158V91.9Very high92.5Very high4 Ų445.9 Ų45.92%0.02424%0.243CC..Hα-helixtrans-65.9-45.8-179.3171.80000112F16 T154 I155 L160 C161 I162 A390F16-V158 HydrophobicContact CB-CG1 3.64Å; F16-V158 HydrophobicContact CD2-CG1 4.21Å; F16-V158 HydrophobicContact CG-CG1 4.27Å; T154-V158 VanDerWaalsContact O-CG2 3.27Å; T154-V158 WeakPolarHBondContact O-CG2 3.5Å; T154-V158 PolarHBondContact O-N 3.08Å; I155-V158 PolarHBondContact O-N 3.38Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.46Å; V158-C161 WeakPolarHBondContact O-CB 3.26Å; V158-C161 PolarHBondContact O-N 3.42Å; V158-C161 VanDerWaalsContact O-N 3.15Å; V158-I162 HydrophobicContact CG1-CD1 4.15Å; V158-I162 WeakPolarHBondContact O-CG1 3.43Å; V158-I162 PolarHBondContact O-N 3.47Å; V158-A390 HydrophobicContact CG1-CB 4.31Å; V158-A390 HydrophobicContact CG2-CB 3.35Å
159N91.7Very high92.7Very high54 Ų5446.3 Ų46.329%0.28925%0.245SC..Hα-helixtrans-63.8-37.7176-73.3-73.2000111.2I155 I162 L163I155-N159 WeakPolarHBondContact CG2-ND2 3.47Å; I155-N159 PolarHBondContact O-N 3.09Å; I155-N159 PolarHBondContact O-ND2 3.36Å; N159-I162 PolarHBondContact O-N 2.87Å; N159-L163 WeakPolarHBondContact O-CB 3.42Å; N159-L163 PolarHBondContact O-N 3.37Å
160L93.6Very high92.9Very high82 Ų8244.7 Ų44.743%0.42924%0.238SC..Hα-helixtrans-61.5-44.1172.1179.263.7000111.2A156 L157 V158 I162 L163 L164A156-L160 VanDerWaalsContact O-CB 3.27Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 PolarHBondContact O-N 3.32Å; L157-L160 WeakPolarHBondContact O-CB 3.28Å; L157-L160 PolarHBondContact O-N 2.98Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.46Å; L160-I162 PolarHBondContact O-N 3.42Å; L160-L163 PolarHBondContact O-N 2.91Å; L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.05Å; L160-L164 HydrophobicContact CG-CD1 3.89Å; L160-L164 HydrophobicContact CG-CG 4.23Å; L160-L164 WeakPolarHBondContact O-CB 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 3.3Å
161C94Very high93.2Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-59.8-47.3177.4-69.70000111.9F21 L157 V158 L163 L164 T165 V382 I383F21-C161 HydrophobicContact CE1-CB 4.24Å; F21-C161 HydrophobicContact CZ-CB 4.1Å; L157-C161 PolarHBondContact O-N 3.37Å; L157-C161 PolarHBondContact O-SG 3.14Å; V158-C161 WeakPolarHBondContact O-CB 3.26Å; V158-C161 PolarHBondContact O-N 3.42Å; V158-C161 VanDerWaalsContact O-N 3.15Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.01Å; C161-L164 PolarHBondContact O-N 3.35Å; C161-T165 PolarHBondContact O-N 2.9Å; C161-T165 PolarHBondContact O-OG1 3.34Å; C161-V382 PolarHBondContact SG-O 3Å; C161-V382 VanDerWaalsContact SG-O 3.4Å; C161-I383 HydrophobicContact CB-CD1 3.61Å; C161-I383 WeakPolarHBondContact O-CD1 3.28Å
162I93.1Very high93.4Very high9 Ų945 Ų455%0.04625%0.248CC..Hα-helixtrans-61.8-43.9177.5-65.1169.3000110.6F16 F20 F21 V158 N159 L160 L164 T165 I166 A341F16-I162 HydrophobicContact CB-CD1 4.23Å; F16-I162 HydrophobicContact CD1-CD1 3.51Å; F16-I162 HydrophobicContact CD2-CD1 3.52Å; F16-I162 HydrophobicContact CE1-CD1 3.53Å; F16-I162 HydrophobicContact CE2-CD1 3.55Å; F16-I162 HydrophobicContact CG-CD1 3.52Å; F16-I162 HydrophobicContact CZ-CD1 3.55Å; F20-I162 HydrophobicContact CD1-CG1 4.34Å; F20-I162 HydrophobicContact CE1-CG1 4.05Å; F20-I162 HydrophobicContact CZ-CG1 4.45Å; F20-I162 HydrophobicContact CZ-CG2 4.32Å; F21-I162 HydrophobicContact CZ-CG1 4.05Å; V158-I162 HydrophobicContact CG1-CD1 4.15Å; V158-I162 WeakPolarHBondContact O-CG1 3.43Å; V158-I162 PolarHBondContact O-N 3.47Å; N159-I162 PolarHBondContact O-N 2.87Å; L160-I162 PolarHBondContact O-N 3.42Å; I162-L164 VanDerWaalsContact C-N 3.35Å; I162-L164 PolarHBondContact O-N 3.5Å; I162-T165 PolarHBondContact O-N 3.38Å; I162-I166 HydrophobicContact CG2-CD1 3.98Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.23Å; I162-A341 HydrophobicContact CG2-CB 4.17Å
163L94.4Very high93.5Very high92 Ų9243.5 Ų43.548%0.48224%0.239SC..Hα-helixtrans-60.7-44.4176-18064.4000111.5N159 L160 C161 T165 I166 I167N159-L163 WeakPolarHBondContact O-CB 3.42Å; N159-L163 PolarHBondContact O-N 3.37Å; L160-L163 PolarHBondContact O-N 2.91Å; C161-L163 VanDerWaalsContact C-N 3.33Å; C161-L163 PolarHBondContact O-N 3.01Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 3.17Å; L163-I166 PolarHBondContact O-N 2.84Å; L163-I167 HydrophobicContact CD1-CD1 4.21Å; L163-I167 HydrophobicContact CD1-CG1 4.43Å; L163-I167 HydrophobicContact CD2-CD1 4.47Å; L163-I167 HydrophobicContact CG-CD1 3.87Å; L163-I167 HydrophobicContact CG-CG1 4.48Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.22Å; L163-I167 PolarHBondContact O-N 3Å
164L95.6Very high93.6Very high27 Ų2744.8 Ų44.814%0.14124%0.242CC..Hα-helixtrans-66.2-33.5177.8-74.3177.9000112.8L160 C161 I162 G168 V377 V382L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.05Å; L160-L164 HydrophobicContact CG-CD1 3.89Å; L160-L164 HydrophobicContact CG-CG 4.23Å; L160-L164 WeakPolarHBondContact O-CB 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 3.3Å; C161-L164 PolarHBondContact O-N 3.35Å; I162-L164 VanDerWaalsContact C-N 3.35Å; I162-L164 PolarHBondContact O-N 3.5Å; L164-G168 PolarHBondContact O-N 3.16Å; L164-V377 WeakPolarHBondContact CB-O 3.4Å; L164-V377 WeakPolarHBondContact CD2-O 3.43Å; L164-V382 HydrophobicContact CD1-CG1 3.92Å
165T94Very high93.7Very high3 Ų345.2 Ų45.22%0.01825%0.248CC..Hα-helixtrans-65.1-43.6170.6-59.60000111.1C161 I162 L163 G168 F169 F349 V372C161-T165 PolarHBondContact O-N 2.9Å; C161-T165 PolarHBondContact O-OG1 3.34Å; I162-T165 PolarHBondContact O-N 3.38Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 3.17Å; T165-G168 PolarHBondContact O-N 3.46Å; T165-F169 PolarHBondContact O-N 3.46Å; T165-F349 HydrophobicContact CG2-CE1 3.68Å; T165-F349 HydrophobicContact CG2-CZ 4.06Å; T165-V372 HydrophobicContact CG2-CG1 3.84Å
166I94.2Very high93.8Very high34 Ų3445.8 Ų45.817%0.17425%0.253CS..Hα-helixtrans-66.4-43.1176.9-65.6160.8000111I162 L163 G168 F169 F170 L344I162-I166 HydrophobicContact CG2-CD1 3.98Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.23Å; L163-I166 PolarHBondContact O-N 2.84Å; I166-G168 VanDerWaalsContact C-N 3.29Å; I166-G168 PolarHBondContact O-N 2.92Å; I166-F169 WeakPolarHBondContact O-CB 3.21Å; I166-F169 PolarHBondContact O-N 3.37Å; I166-F170 HydrophobicContact CG2-CD2 4.35Å; I166-F170 HydrophobicContact CG2-CE2 3.97Å; I166-F170 VanDerWaalsContact O-CD2 3.24Å; I166-F170 WeakPolarHBondContact O-CD2 3.29Å; I166-F170 PolarHBondContact O-N 2.91Å; I166-L344 HydrophobicContact CD1-CD2 3.68Å; I166-L344 HydrophobicContact CG1-CD2 3.99Å; I166-L344 HydrophobicContact CG1-CG 4.49Å; I166-L344 HydrophobicContact CG2-CD2 4.08Å
167I95.6Very high93.7Very high70 Ų7046.9 Ų46.936%0.35925%0.25SC..Hα-helixtrans-62.3-41.4174.2-67.4167.8000109.9L163 F169 F170 V171 V377L163-I167 HydrophobicContact CD1-CD1 4.21Å; L163-I167 HydrophobicContact CD1-CG1 4.43Å; L163-I167 HydrophobicContact CD2-CD1 4.47Å; L163-I167 HydrophobicContact CG-CD1 3.87Å; L163-I167 HydrophobicContact CG-CG1 4.48Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.22Å; L163-I167 PolarHBondContact O-N 3Å; I167-F169 VanDerWaalsContact C-N 3.28Å; I167-F169 PolarHBondContact O-N 3.21Å; I167-F170 PolarHBondContact O-N 3.18Å; I167-V171 HydrophobicContact CG2-CG2 4.04Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 2.94Å; I167-V377 HydrophobicContact CB-CG2 4.28Å; I167-V377 HydrophobicContact CG2-CG2 3.83Å
168G95Very high93.4Very high0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-58.3-38.1176.900000113L164 T165 I166 F170 V171 N172 L375L164-G168 PolarHBondContact O-N 3.16Å; T165-G168 PolarHBondContact O-N 3.46Å; I166-G168 VanDerWaalsContact C-N 3.29Å; I166-G168 PolarHBondContact O-N 2.92Å; G168-F170 PolarHBondContact O-N 3.23Å; G168-V171 PolarHBondContact O-N 3.41Å; G168-N172 VanDerWaalsContact O-CB 3.26Å; G168-N172 WeakPolarHBondContact O-CB 3.22Å; G168-N172 PolarHBondContact O-N 3.07Å; G168-N172 PolarHBondContact O-ND2 3.18Å; G168-L375 CarbonylContact C-O 3.51Å; G168-L375 VanDerWaalsContact CA-O 3.29Å; G168-L375 WeakPolarHBondContact CA-O 3.18Å
169F94.9Very high93.3Very high25 Ų2549 Ų4911%0.1127%0.267CS..Hα-helixtrans-56.5-47.2170.5166-95.8000112.7T165 I166 I167 N172 I173 A246 C348 A351 A352T165-F169 PolarHBondContact O-N 3.46Å; I166-F169 WeakPolarHBondContact O-CB 3.21Å; I166-F169 PolarHBondContact O-N 3.37Å; I167-F169 VanDerWaalsContact C-N 3.28Å; I167-F169 PolarHBondContact O-N 3.21Å; F169-N172 CarbonylContact O-C 3.54Å; F169-I173 PolarHBondContact O-N 3.37Å; F169-A246 HydrophobicContact CE2-CB 4.17Å; F169-A246 HydrophobicContact CZ-CB 4.14Å; F169-C348 HydrophobicContact CB-CB 4.13Å; F169-C348 HydrophobicContact CD2-CB 3.84Å; F169-C348 HydrophobicContact CE2-CB 4.47Å; F169-C348 HydrophobicContact CG-CB 3.94Å; F169-A351 HydrophobicContact CE2-CB 3.9Å; F169-A351 HydrophobicContact CZ-CB 4.39Å; F169-A352 HydrophobicContact CD2-CB 3.78Å; F169-A352 HydrophobicContact CE2-CB 4.12Å
170F95.2Very high93.4Very high126 Ų12650.6 Ų50.655%0.55327%0.271SS*.Hα-helixtrans-71.7-35.8-180-71.3-71.9000113.1I166 I167 G168 I173I166-F170 HydrophobicContact CG2-CD2 4.35Å; I166-F170 HydrophobicContact CG2-CE2 3.97Å; I166-F170 VanDerWaalsContact O-CD2 3.24Å; I166-F170 WeakPolarHBondContact O-CD2 3.29Å; I166-F170 PolarHBondContact O-N 2.91Å; I167-F170 PolarHBondContact O-N 3.18Å; G168-F170 PolarHBondContact O-N 3.23Å; F170-I173 WeakPolarHBondContact O-CB 3.39Å; F170-I173 WeakPolarHBondContact O-CG2 3.29Å
171V94.9Very high93.3Very high93 Ų9346.9 Ų46.956%0.56425%0.252SS*.Hα-helixtrans-66.7-42.9175.8172.70000110.6I167 G168 I173 V377I167-V171 HydrophobicContact CG2-CG2 4.04Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 2.94Å; G168-V171 PolarHBondContact O-N 3.41Å; V171-I173 VanDerWaalsContact C-N 3.28Å; V171-I173 PolarHBondContact O-N 3.26Å; V171-V377 HydrophobicContact CB-CG1 4.29Å; V171-V377 HydrophobicContact CG1-CG1 4.2Å
172N93.6Very high93.2Very high22 Ų2247 Ų4712%0.11825%0.253CS..THydrogen-bonded Turntrans-92.427-178.6-61.6-41.6000112.8G168 F169 N174 G175 I243 G245 L375G168-N172 VanDerWaalsContact O-CB 3.26Å; G168-N172 WeakPolarHBondContact O-CB 3.22Å; G168-N172 PolarHBondContact O-N 3.07Å; G168-N172 PolarHBondContact O-ND2 3.18Å; F169-N172 CarbonylContact O-C 3.54Å; N172-N174 PolarHBondContact O-N 3.48Å; N172-G175 WeakPolarHBondContact O-CA 3.44Å; N172-G175 PolarHBondContact O-N 2.82Å; N172-I243 HydrophobicContact CB-CG2 4.03Å; N172-G245 WeakPolarHBondContact O-CA 3.3Å; N172-L375 HydrophobicContact CB-CD1 4.39Å; N172-L375 PolarHBondContact ND2-O 3.23Å; N172-L375 VanDerWaalsContact ND2-O 3.1Å
173I94.1Very high93.2Very high60 Ų6046.6 Ų46.631%0.30825%0.251SS..THydrogen-bonded Turntrans-64.1-26-177.2-160.5171.1000113.2F169 F170 V171 G175 G245 A246 T247F169-I173 PolarHBondContact O-N 3.37Å; F170-I173 WeakPolarHBondContact O-CB 3.39Å; F170-I173 WeakPolarHBondContact O-CG2 3.29Å; V171-I173 VanDerWaalsContact C-N 3.28Å; V171-I173 PolarHBondContact O-N 3.26Å; I173-G175 VanDerWaalsContact C-N 3.33Å; I173-G245 CarbonylContact O-C 3.21Å; I173-G245 WeakPolarHBondContact O-CA 3.25Å; I173-A246 HydrophobicContact CG1-CB 4.03Å; I173-A246 PolarHBondContact O-N 3.45Å; I173-T247 HydrophobicContact CG1-CG2 4.41Å; I173-T247 PolarHBondContact O-N 2.91Å; I173-T247 PolarHBondContact O-OG1 3.1Å
174N93.7Very high93Very high113 Ų11342.2 Ų42.260%0.60423%0.228SC*.THydrogen-bonded Turntrans-92.68174.6-65.3-23.7000113.3N172 T247N172-N174 PolarHBondContact O-N 3.48Å; N174-T247 WeakPolarHBondContact CA-OG1 3.42Å; N174-T247 WeakPolarHBondContact OD1-CG2 3.37Å; N174-T247 PolarHBondContact OD1-OG1 3.24Å
175G92.1Very high92.7Very high17 Ų1741.2 Ų41.218%0.17522%0.223CC..  trans86.4169.7-172.800000112.8N172 I173 I243 E244N172-G175 WeakPolarHBondContact O-CA 3.44Å; N172-G175 PolarHBondContact O-N 2.82Å; I173-G175 VanDerWaalsContact C-N 3.33Å; G175-I243 CarbonylContact C-O 3.58Å; G175-I243 VanDerWaalsContact CA-O 3.27Å; G175-I243 WeakPolarHBondContact CA-O 3.28Å; G175-E244 WeakPolarHBondContact CA-O 3.34Å; G175-E244 PolarHBondContact N-O 2.99Å
176S92.4Very high92.6Very high21 Ų2143.3 Ų43.315%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-134.7139.8177179.50000110.3S178 I243S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 VanDerWaalsContact OG-CB 3.24Å; S176-S178 WeakPolarHBondContact OG-CB 3.29Å; S176-S178 PolarHBondContact OG-N 3.47Å; S176-S178 PolarHBondContact OG-OG 2.9Å; S176-I243 PolarHBondContact N-O 3.31Å
177D90.1Very high92.4Very high84 Ų8442.3 Ų42.345%0.44923%0.229SC..EExtended strand (participates in β ladder)trans-88.12.5170.1-76.7-56.5000112.5L179 K180 R241D177-L179 VanDerWaalsContact C-N 3.3Å; D177-L179 PolarHBondContact O-N 3.44Å; D177-K180 WeakPolarHBondContact OD1-CE 3.45Å; D177-K180 IonicContact OD1-NZ 2.77Å; D177-K180 PolarHBondContact OD1-NZ 3.42Å; D177-R241 VanDerWaalsContact CG-NH2 3.33Å; D177-R241 IonicContact OD1-CZ 2.79Å; D177-R241 IonicContact OD1-NE 2.82Å; D177-R241 PolarHBondContact OD1-NE 3.36Å; D177-R241 IonicContact OD1-NH2 3.59Å; D177-R241 PolarHBondContact OD1-NH2 3.03Å; D177-R241 VanDerWaalsContact OD1-NH2 3.14Å; D177-R241 IonicContact OD2-CZ 3.39Å; D177-R241 IonicContact OD2-NE 3.35Å; D177-R241 IonicContact OD2-NH2 3.03Å; D177-R241 PolarHBondContact OD2-NH2 3.01Å
178S86.6Confident92.2Very high76 Ų7639 Ų3953%0.53121%0.212SC..EExtended strand (participates in β ladder)trans-59.2-38-176.959.60000113.4S176S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 VanDerWaalsContact OG-CB 3.24Å; S176-S178 WeakPolarHBondContact OG-CB 3.29Å; S176-S178 PolarHBondContact OG-N 3.47Å; S176-S178 PolarHBondContact OG-OG 2.9Å
179L91Very high92.1Very high20 Ų2039 Ų3911%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-130.7125.9176.3-173.169.3000110.6D177 A242 F357 A366 R369 E374D177-L179 VanDerWaalsContact C-N 3.3Å; D177-L179 PolarHBondContact O-N 3.44Å; L179-A242 HydrophobicContact CB-CB 4.08Å; L179-A242 HydrophobicContact CD2-CB 3.81Å; L179-A242 HydrophobicContact CG-CB 3.97Å; L179-A242 WeakPolarHBondContact O-CB 3.43Å; L179-A242 PolarHBondContact O-N 3.04Å; L179-F357 HydrophobicContact CD2-CE1 4.24Å; L179-F357 HydrophobicContact CD2-CE2 4.49Å; L179-F357 HydrophobicContact CD2-CZ 3.79Å; L179-A366 HydrophobicContact CD1-CB 4.21Å; L179-A366 HydrophobicContact CD2-CB 3.99Å; L179-A366 HydrophobicContact CG-CB 4.36Å; L179-R369 HydrophobicContact CD1-CB 4.35Å; L179-R369 HydrophobicContact CD1-CG 4.08Å; L179-R369 HydrophobicContact CD2-CB 3.82Å; L179-R369 HydrophobicContact CD2-CG 4.45Å; L179-E374 HydrophobicContact CD2-CB 4.35Å; L179-E374 HydrophobicContact CD2-CG 3.81Å
180K92.5Very high91.9Very high88 Ų8839.4 Ų39.438%0.38322%0.215SC..EExtended strand (participates in β ladder)trans-125.3143.5172.7-63.6-177.4-175.5-175.20109.4D177 Q239 L240D177-K180 WeakPolarHBondContact OD1-CE 3.45Å; D177-K180 IonicContact OD1-NZ 2.77Å; D177-K180 PolarHBondContact OD1-NZ 3.42Å; K180-Q239 HydrophobicContact CB-CG 3.79Å; K180-Q239 HydrophobicContact CD-CG 4.26Å; K180-L240 CarbonylContact C-O 3.53Å; K180-L240 WeakPolarHBondContact CA-O 3.34Å; K180-L240 WeakPolarHBondContact CB-O 3.34Å
181F92.8Very high91.8Very high4 Ų433.8 Ų33.82%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-125.9161.9178.672.6-76.9000110.3M183 Q239 L240 A242 N354 F357 A366F181-M183 HydrophobicContact CD2-SD 4.42Å; F181-M183 HydrophobicContact CE2-CG 3.95Å; F181-M183 HydrophobicContact CE2-SD 3.67Å; F181-Q239 WeakPolarHBondContact O-CA 3.47Å; F181-L240 HydrophobicContact CD1-CB 4.39Å; F181-L240 HydrophobicContact CE1-CB 3.8Å; F181-L240 HydrophobicContact CZ-CB 3.98Å; F181-L240 HydrophobicContact CZ-CD1 4.19Å; F181-L240 PolarHBondContact N-O 3.48Å; F181-L240 PolarHBondContact O-N 3.08Å; F181-A242 HydrophobicContact CD1-CB 4.2Å; F181-N354 HydrophobicContact CE1-CB 4.11Å; F181-N354 HydrophobicContact CZ-CB 4.33Å; F181-N354 WeakPolarHBondContact CZ-OD1 3.47Å; F181-F357 HydrophobicContact CD1-CB 4.32Å; F181-F357 HydrophobicContact CD1-CD2 4.31Å; F181-F357 HydrophobicContact CD1-CG 4.43Å; F181-F357 HydrophobicContact CE1-CB 3.88Å; F181-F357 HydrophobicContact CE1-CG 4.45Å; F181-F357 HydrophobicContact CE2-CB 4.47Å; F181-F357 HydrophobicContact CG-CD2 4.31Å; F181-F357 HydrophobicContact CZ-CB 3.97Å; F181-A366 HydrophobicContact CB-CB 4.1Å
182C92.3Very high91.5Very high3 Ų331.1 Ų31.12%0.0217%0.172CC..EExtended strand (participates in β ladder)trans-98.3146.8-175.1-162.20000111.3P189 C205C182-P189 HydrophobicContact CB-CG 4.03Å; C182-P189 WeakPolarHBondContact O-CD 3.18Å; C182-C205 WeakPolarHBondContact CA-SG 3.45Å; C182-C205 HydrophobicContact CB-CB 3.66Å; C182-C205 WeakPolarHBondContact CB-SG 3.21Å; C182-C205 VanDerWaalsContact SG-CA 3.53Å; C182-C205 WeakPolarHBondContact SG-CB 3.35Å; C182-C205 CovalentContact SG-SG 2.04Å; C182-C205 PolarHBondContact SG-SG 2.89Å
183M92.4Very high91.1Very high1 Ų133.6 Ų33.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-124.7130.2171.5-69.6-69.9-7100108.8F181 D186 V188 I237 R238 L240 A268 V356F181-M183 HydrophobicContact CD2-SD 4.42Å; F181-M183 HydrophobicContact CE2-CG 3.95Å; F181-M183 HydrophobicContact CE2-SD 3.67Å; M183-D186 VanDerWaalsContact CE-C 3.5Å; M183-D186 VanDerWaalsContact CE-O 3.25Å; M183-D186 WeakPolarHBondContact CE-O 3.5Å; M183-V188 HydrophobicContact SD-CG2 3.68Å; M183-I237 VanDerWaalsContact O-CA 3.3Å; M183-I237 WeakPolarHBondContact O-CA 3.37Å; M183-R238 HydrophobicContact CB-CG 3.86Å; M183-R238 PolarHBondContact N-O 3.04Å; M183-R238 PolarHBondContact O-N 3Å; M183-L240 HydrophobicContact CG-CD1 3.7Å; M183-L240 HydrophobicContact CG-CG 4.23Å; M183-A268 HydrophobicContact CE-CB 4.14Å; M183-V356 HydrophobicContact CE-CG1 4.12Å; M183-V356 HydrophobicContact CE-CG2 4.15Å; M183-V356 HydrophobicContact SD-CB 4.48Å; M183-V356 HydrophobicContact SD-CG1 4.09Å
184V91Very high90.8Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-103.999.7171.5176.80000106.7D186 R187 L210 Y214 Y227 F228 A231 F287V184-D186 PolarHBondContact O-N 3.45Å; V184-D186 VanDerWaalsContact O-N 3.14Å; V184-R187 PolarHBondContact N-O 3.18Å; V184-R187 PolarHBondContact O-N 3.03Å; V184-L210 HydrophobicContact CG2-CD1 3.93Å; V184-Y214 HydrophobicContact CG2-CE2 4.02Å; V184-Y227 HydrophobicContact CG1-CE1 4.39Å; V184-Y227 WeakPolarHBondContact O-CE1 3.34Å; V184-F228 HydrophobicContact CG1-CD2 3.93Å; V184-A231 HydrophobicContact CG1-CB 3.76Å; V184-F287 HydrophobicContact CB-CE1 4.16Å; V184-F287 HydrophobicContact CG1-CE1 4.38Å
185G89.5Confident90.5Very high5 Ų528.3 Ų28.35%0.05215%0.151CC..THydrogen-bonded Turntrans64.6-116.8-169.200000110.8T236 R238G185-T236 WeakPolarHBondContact CA-O 3.2Å; G185-T236 VanDerWaalsContact CA-OG1 3.28Å; G185-T236 WeakPolarHBondContact CA-OG1 3.38Å; G185-T236 PolarHBondContact N-O 3.39Å; G185-T236 VanDerWaalsContact N-O 3.08Å; G185-R238 PolarHBondContact O-NH2 3.29Å
186D90.2Very high90Very high48 Ų4831.4 Ų31.426%0.25716%0.164SC..THydrogen-bonded Turntrans-103.8-0.4176.5-71.6-24.4000112.7M183 V184 Y227 R238 S267 A268 N269M183-D186 VanDerWaalsContact CE-C 3.5Å; M183-D186 VanDerWaalsContact CE-O 3.25Å; M183-D186 WeakPolarHBondContact CE-O 3.5Å; V184-D186 PolarHBondContact O-N 3.45Å; V184-D186 VanDerWaalsContact O-N 3.14Å; D186-Y227 PolarHBondContact N-OH 3.28Å; D186-R238 IonicContact OD1-NH2 3.26Å; D186-R238 PolarHBondContact OD1-NH2 2.99Å; D186-S267 CarbonylContact O-C 3.3Å; D186-S267 WeakPolarHBondContact O-CA 3.49Å; D186-S267 WeakPolarHBondContact O-CB 3.29Å; D186-A268 HydrophobicContact CB-CB 4.15Å; D186-A268 PolarHBondContact O-N 2.77Å; D186-N269 PolarHBondContact OD2-ND2 3.24Å
187R90.5Very high89.6Confident13 Ų1336.9 Ų36.95%0.04919%0.186CC..BIsolated β-bridgetrans-105.5151.1-175.8-62.4175.3-171.8174.64.9112.4V184 Y227 I265 E274 D278 F287V184-R187 PolarHBondContact N-O 3.18Å; V184-R187 PolarHBondContact O-N 3.03Å; R187-Y227 HydrophobicContact CB-CE1 4.11Å; R187-Y227 HydrophobicContact CG-CE1 3.88Å; R187-Y227 VanDerWaalsContact CZ-CD2 3.47Å; R187-I265 HydrophobicContact CB-CG2 4.15Å; R187-I265 HydrophobicContact CG-CG2 3.91Å; R187-E274 IonicContact CZ-OE2 3.14Å; R187-E274 IonicContact NH2-OE2 3.18Å; R187-E274 PolarHBondContact NH2-OE2 2.96Å; R187-D278 IonicContact CZ-OD2 3.91Å; R187-D278 IonicContact NH1-OD2 2.91Å; R187-D278 PolarHBondContact NH1-OD2 3.3Å; R187-D278 IonicContact NH2-OD2 2.92Å; R187-D278 PolarHBondContact NH2-OD2 2.97Å; R187-F287 HydrophobicContact CB-CD1 3.56Å; R187-F287 HydrophobicContact CB-CE1 3.65Å; R187-F287 HydrophobicContact CB-CG 4.3Å; R187-F287 HydrophobicContact CB-CZ 4.45Å
188V91.9Very high89.4Confident1 Ų136.6 Ų36.61%0.00618%0.182CC..  trans-94.1122.7177-172.90000110.4M183 I266 F287 V288 V356M183-V188 HydrophobicContact SD-CG2 3.68Å; V188-I266 HydrophobicContact CG2-CG2 4.4Å; V188-I266 PolarHBondContact N-O 2.82Å; V188-F287 WeakPolarHBondContact O-CA 3.08Å; V188-F287 WeakPolarHBondContact O-CD1 3.15Å; V188-V288 HydrophobicContact CB-CB 4.35Å; V188-V288 HydrophobicContact CB-CG2 4.12Å; V188-V288 HydrophobicContact CG1-CG2 3.82Å; V188-V288 PolarHBondContact O-N 3.49Å; V188-V356 HydrophobicContact CG2-CB 4.46Å; V188-V356 HydrophobicContact CG2-CG1 3.27Å
189P92.4Very high89.2Confident0 Ų038 Ų380%019%0.19CC..BIsolated β-bridgetrans-66.9142.9173.128.2-32.2000111.3C182 L191 L213 Y214 G365C182-P189 HydrophobicContact CB-CG 4.03Å; C182-P189 WeakPolarHBondContact O-CD 3.18Å; P189-L191 HydrophobicContact CB-CD2 4.19Å; P189-L191 HydrophobicContact CB-CG 4.4Å; P189-L191 HydrophobicContact CG-CD2 4.26Å; P189-L191 HydrophobicContact CG-CG 4.2Å; P189-L191 PolarHBondContact O-N 3.47Å; P189-L213 HydrophobicContact CB-CD1 4.45Å; P189-Y214 WeakPolarHBondContact CA-OH 3.46Å; P189-Y214 VanDerWaalsContact CB-OH 3.27Å; P189-Y214 WeakPolarHBondContact CB-OH 3.26Å; P189-G365 WeakPolarHBondContact O-CA 3.33Å
190D91.1Very high88.8Confident33 Ų3339.7 Ų39.718%0.17621%0.212CC..  trans-84.186.1170.9-171.2-14000110.5Q192 K193 S286 V288D190-Q192 VanDerWaalsContact C-N 3.28Å; D190-Q192 PolarHBondContact OD1-N 2.98Å; D190-Q192 VanDerWaalsContact OD1-N 3.15Å; D190-K193 HydrophobicContact CB-CB 4.46Å; D190-K193 PolarHBondContact OD1-N 3.15Å; D190-S286 PolarHBondContact N-O 2.81Å; D190-V288 HydrophobicContact CB-CG2 4.14Å
191L92Very high88.6Confident7 Ų741.6 Ų41.64%0.03722%0.222CC..Hα-helixtrans-75.4-19.6178.4-60.5-179000112.6P189 W194 I195 L203 L210 L213 A364 G365 Y367P189-L191 HydrophobicContact CB-CD2 4.19Å; P189-L191 HydrophobicContact CB-CG 4.4Å; P189-L191 HydrophobicContact CG-CD2 4.26Å; P189-L191 HydrophobicContact CG-CG 4.2Å; P189-L191 PolarHBondContact O-N 3.47Å; L191-W194 PolarHBondContact O-N 2.83Å; L191-I195 PolarHBondContact O-N 3.47Å; L191-I195 VanDerWaalsContact O-N 3.16Å; L191-L203 HydrophobicContact CD2-CD1 4.44Å; L191-L210 HydrophobicContact CD2-CD2 4.39Å; L191-L213 HydrophobicContact CD2-CD1 3.74Å; L191-A364 PolarHBondContact N-O 3.43Å; L191-G365 WeakPolarHBondContact CD1-O 3.37Å; L191-Y367 HydrophobicContact CB-CD1 3.88Å; L191-Y367 HydrophobicContact CB-CE1 3.7Å; L191-Y367 HydrophobicContact CB-CG 4.4Å; L191-Y367 HydrophobicContact CD1-CD2 4.45Å; L191-Y367 HydrophobicContact CD1-CE1 4.3Å; L191-Y367 HydrophobicContact CD1-CE2 3.84Å; L191-Y367 HydrophobicContact CG-CE1 4.48Å
192Q88.7Confident88.4Confident37 Ų3748.7 Ų48.717%0.17325%0.249CC..Hα-helixtrans-71.6-43.8179.2-179.556.738.300111.1D190 W194 I195 D196 A364 Y367 G368D190-Q192 VanDerWaalsContact C-N 3.28Å; D190-Q192 PolarHBondContact OD1-N 2.98Å; D190-Q192 VanDerWaalsContact OD1-N 3.15Å; Q192-W194 PolarHBondContact O-N 2.81Å; Q192-I195 VanDerWaalsContact O-CG2 3.31Å; Q192-I195 WeakPolarHBondContact O-CG2 3.43Å; Q192-I195 PolarHBondContact O-N 3.5Å; Q192-D196 VanDerWaalsContact NE2-CG 3.28Å; Q192-D196 PolarHBondContact NE2-OD1 3.49Å; Q192-D196 VanDerWaalsContact NE2-OD1 3.08Å; Q192-D196 PolarHBondContact NE2-OD2 3.2Å; Q192-D196 PolarHBondContact O-N 3.35Å; Q192-A364 HydrophobicContact CB-CB 4.03Å; Q192-A364 PolarHBondContact N-O 3.18Å; Q192-A364 VanDerWaalsContact N-O 3.1Å; Q192-Y367 PolarHBondContact OE1-O 3.27Å; Q192-G368 VanDerWaalsContact OE1-N 3.14Å
193K85.5Confident88.3Confident75 Ų7549.6 Ų49.633%0.32625%0.254SS..Hα-helixtrans-58.7-36.3174.1-170.5175.8176.9-176.80111.7D190 H197 E285D190-K193 HydrophobicContact CB-CB 4.46Å; D190-K193 PolarHBondContact OD1-N 3.15Å; K193-H197 PolarHBondContact O-N 2.79Å; K193-H197 PolarHBondContact O-ND1 2.79Å; K193-E285 PolarHBondContact NZ-O 3.21Å; K193-E285 IonicContact NZ-OE2 3.77Å; K193-E285 PolarHBondContact NZ-OE2 2.86Å
194W87.4Confident88.1Confident41 Ų4151.6 Ų51.616%0.15527%0.271CS..Hα-helixtrans-64.3-51.4175.6174.7-97000113.1L191 Q192 D196 H197 H198 H201 L203 H212 L213L191-W194 PolarHBondContact O-N 2.83Å; Q192-W194 PolarHBondContact O-N 2.81Å; W194-D196 VanDerWaalsContact C-N 3.26Å; W194-D196 PolarHBondContact O-N 3.4Å; W194-H197 PolarHBondContact O-N 3.31Å; W194-H197 VanDerWaalsContact O-N 3.12Å; W194-H198 AromaticContact CD2-ND1 3.78Å; W194-H198 AromaticContact CE2-ND1 3.78Å; W194-H198 AromaticContact CE3-ND1 3.65Å; W194-H198 AromaticContact CH2-CE1 3.56Å; W194-H198 AromaticContact CH2-ND1 3.58Å; W194-H198 HydrophobicContact CZ2-CB 4.19Å; W194-H198 AromaticContact CZ2-CG 3.84Å; W194-H198 AromaticContact CZ2-ND1 3.71Å; W194-H198 AromaticContact CZ3-CE1 3.5Å; W194-H198 AromaticContact CZ3-ND1 3.56Å; W194-H198 PolarHBondContact O-N 2.91Å; W194-H201 PolarHBondContact NE1-O 2.88Å; W194-L203 HydrophobicContact CB-CD1 4.48Å; W194-L203 HydrophobicContact CD2-CD1 3.77Å; W194-L203 HydrophobicContact CD2-CG 4.37Å; W194-L203 HydrophobicContact CE3-CD1 4.5Å; W194-L203 HydrophobicContact CG-CD1 3.7Å; W194-L203 HydrophobicContact CG-CG 4.27Å; W194-L203 HydrophobicContact CZ2-CD2 4.01Å; W194-H212 HydrophobicContact CH2-CB 3.69Å; W194-H212 HydrophobicContact CZ2-CB 4.26Å; W194-H212 HydrophobicContact CZ3-CB 3.97Å; W194-L213 HydrophobicContact CB-CD2 3.87Å; W194-L213 HydrophobicContact CE3-CD2 4.22Å; W194-L213 HydrophobicContact CG-CD2 4.42Å
195I87.2Confident88.1Confident20 Ų2053.2 Ų53.210%0.10328%0.282CS..Hα-helixtrans-67.1-29.4-177.8-160.3104000112.1L191 Q192 H197 H198 P199 Y202 Y367L191-I195 PolarHBondContact O-N 3.47Å; L191-I195 VanDerWaalsContact O-N 3.16Å; Q192-I195 VanDerWaalsContact O-CG2 3.31Å; Q192-I195 WeakPolarHBondContact O-CG2 3.43Å; Q192-I195 PolarHBondContact O-N 3.5Å; I195-H197 VanDerWaalsContact C-N 3.27Å; I195-H197 PolarHBondContact O-N 3.31Å; I195-H198 CarbonylContact O-C 3.56Å; I195-H198 VanDerWaalsContact O-C 3.3Å; I195-H198 PolarHBondContact O-N 3.36Å; I195-P199 WeakPolarHBondContact O-CA 3.5Å; I195-Y202 HydrophobicContact CD1-CD1 3.59Å; I195-Y202 HydrophobicContact CD1-CD2 4.11Å; I195-Y202 HydrophobicContact CD1-CE1 3.47Å; I195-Y202 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y202 HydrophobicContact CD1-CE2 4Å; I195-Y202 HydrophobicContact CD1-CG 3.91Å; I195-Y367 HydrophobicContact CB-CD1 4.2Å; I195-Y367 HydrophobicContact CD1-CD1 4.26Å; I195-Y367 HydrophobicContact CD1-CE1 4.38Å; I195-Y367 HydrophobicContact CG2-CD1 4.32Å
196D82.5Confident88.1Confident83 Ų8355.8 Ų55.844%0.44429%0.294SS..Hα-helixtrans-64.9-31.4174.8-77.7-33.6000111.7K116 Q192 W194K116-D196 IonicContact NZ-OD1 2.66Å; K116-D196 PolarHBondContact NZ-OD1 2.91Å; K116-D196 IonicContact NZ-OD2 2.67Å; K116-D196 PolarHBondContact NZ-OD2 3.33Å; Q192-D196 VanDerWaalsContact NE2-CG 3.28Å; Q192-D196 PolarHBondContact NE2-OD1 3.49Å; Q192-D196 VanDerWaalsContact NE2-OD1 3.08Å; Q192-D196 PolarHBondContact NE2-OD2 3.2Å; Q192-D196 PolarHBondContact O-N 3.35Å; W194-D196 VanDerWaalsContact C-N 3.26Å; W194-D196 PolarHBondContact O-N 3.4Å
197H83.8Confident88Confident135 Ų13554.8 Ų54.863%0.62529%0.292SS*.Hα-helixtrans-89.1-28.4174.2-67.585.7000113.6K193 W194 I195 P199K193-H197 PolarHBondContact O-N 2.79Å; K193-H197 PolarHBondContact O-ND1 2.79Å; W194-H197 PolarHBondContact O-N 3.31Å; W194-H197 VanDerWaalsContact O-N 3.12Å; I195-H197 VanDerWaalsContact C-N 3.27Å; I195-H197 PolarHBondContact O-N 3.31Å; H197-P199 WeakPolarHBondContact O-CD 3.43Å
198H86.3Confident87.9Confident79 Ų7957.9 Ų57.937%0.36631%0.313SS..SBendtrans-12670.4-177.9-58.991.7000111W194 I195 G200 H201W194-H198 AromaticContact CD2-ND1 3.78Å; W194-H198 AromaticContact CE2-ND1 3.78Å; W194-H198 AromaticContact CE3-ND1 3.65Å; W194-H198 AromaticContact CH2-CE1 3.56Å; W194-H198 AromaticContact CH2-ND1 3.58Å; W194-H198 HydrophobicContact CZ2-CB 4.19Å; W194-H198 AromaticContact CZ2-CG 3.84Å; W194-H198 AromaticContact CZ2-ND1 3.71Å; W194-H198 AromaticContact CZ3-CE1 3.5Å; W194-H198 AromaticContact CZ3-ND1 3.56Å; W194-H198 PolarHBondContact O-N 2.91Å; I195-H198 CarbonylContact O-C 3.56Å; I195-H198 VanDerWaalsContact O-C 3.3Å; I195-H198 PolarHBondContact O-N 3.36Å; H198-G200 PolarHBondContact O-N 3.48Å; H198-H201 HydrophobicContact CB-CB 4.06Å; H198-H201 PolarHBondContact O-N 3.4Å; H198-H201 VanDerWaalsContact O-N 3.08Å
199P81.3Confident87.7Confident105 Ų10560.1 Ų60.168%0.68233%0.325SS*.THydrogen-bonded Turntrans-59128.4-174.422.3-32.9000111.7I195 H197 H201I195-P199 WeakPolarHBondContact O-CA 3.5Å; H197-P199 WeakPolarHBondContact O-CD 3.43Å; P199-H201 VanDerWaalsContact C-N 3.32Å; P199-H201 PolarHBondContact O-N 2.95Å
200G83.3Confident87.6Confident55 Ų5560.1 Ų60.157%0.56733%0.325SS*.THydrogen-bonded Turntrans86.5-9.9-179.600000115.4H198 Y202H198-G200 PolarHBondContact O-N 3.48Å; G200-Y202 WeakPolarHBondContact O-CD2 3.43Å; G200-Y202 PolarHBondContact O-N 3.47Å
201H88.1Confident87.5Confident129 Ų12961.2 Ų61.260%0.59733%0.327SS*.  trans-96.386178.3-70.1-82.1000111.6W194 H198 P199W194-H201 PolarHBondContact NE1-O 2.88Å; H198-H201 HydrophobicContact CB-CB 4.06Å; H198-H201 PolarHBondContact O-N 3.4Å; H198-H201 VanDerWaalsContact O-N 3.08Å; P199-H201 VanDerWaalsContact C-N 3.32Å; P199-H201 PolarHBondContact O-N 2.95Å
202Y88.6Confident87.4Confident153 Ų15365.4 Ų65.460%0.635%0.346SS*.PPolyproline II helixtrans-77.9134.8175.2-60.8-91.4000111I195 G200 Y367I195-Y202 HydrophobicContact CD1-CD1 3.59Å; I195-Y202 HydrophobicContact CD1-CD2 4.11Å; I195-Y202 HydrophobicContact CD1-CE1 3.47Å; I195-Y202 VanDerWaalsContact CD1-CE1 3.47Å; I195-Y202 HydrophobicContact CD1-CE2 4Å; I195-Y202 HydrophobicContact CD1-CG 3.91Å; G200-Y202 WeakPolarHBondContact O-CD2 3.43Å; G200-Y202 PolarHBondContact O-N 3.47Å; Y202-Y367 AromaticContact CD1-CD1 3.82Å; Y202-Y367 HydrophobicContact CD1-CD1 3.82Å; Y202-Y367 HydrophobicContact CD1-CD2 4.1Å; Y202-Y367 AromaticContact CD1-CE1 3.7Å; Y202-Y367 HydrophobicContact CD1-CE1 3.7Å; Y202-Y367 AromaticContact CD1-CE2 4Å; Y202-Y367 HydrophobicContact CD1-CE2 4Å; Y202-Y367 HydrophobicContact CD1-CG 4.01Å; Y202-Y367 AromaticContact CD1-CZ 3.79Å; Y202-Y367 HydrophobicContact CE1-CD1 4.13Å; Y202-Y367 HydrophobicContact CE1-CD2 4.49Å; Y202-Y367 HydrophobicContact CE1-CE1 4.44Å; Y202-Y367 HydrophobicContact CE1-CG 4.14Å
203L90.1Very high87.3Confident21 Ų2164.7 Ų64.711%0.1134%0.343CS..PPolyproline II helixtrans-89.4135.3176.1-61.3172000110.2L191 W194 D209 H212 L213 Y367L191-L203 HydrophobicContact CD2-CD1 4.44Å; W194-L203 HydrophobicContact CB-CD1 4.48Å; W194-L203 HydrophobicContact CD2-CD1 3.77Å; W194-L203 HydrophobicContact CD2-CG 4.37Å; W194-L203 HydrophobicContact CE3-CD1 4.5Å; W194-L203 HydrophobicContact CG-CD1 3.7Å; W194-L203 HydrophobicContact CG-CG 4.27Å; W194-L203 HydrophobicContact CZ2-CD2 4.01Å; L203-D209 HydrophobicContact CB-CB 4.11Å; L203-D209 HydrophobicContact CD2-CB 3.99Å; L203-H212 HydrophobicContact CD2-CB 4.47Å; L203-L213 HydrophobicContact CD1-CD1 3.58Å; L203-L213 HydrophobicContact CD1-CD2 4.5Å; L203-L213 HydrophobicContact CD1-CG 3.78Å; L203-Y367 PolarHBondContact N-OH 3.36Å; L203-Y367 PolarHBondContact O-OH 2.62Å
204A89.3Confident87.4Confident44 Ų4461.8 Ų61.836%0.36433%0.33SS..PPolyproline II helixtrans-73.7154.4168.200000110.8N206 D209A204-N206 PolarHBondContact O-N 2.74Å; A204-D209 WeakPolarHBondContact CB-OD2 3.43Å; A204-D209 PolarHBondContact N-OD2 2.97Å
205C90.1Very high87.4Confident34 Ų3460.4 Ų60.423%0.2333%0.326CS..SBendtrans-7964.9173.8-172.40000110.4C182 Q239C182-C205 WeakPolarHBondContact CA-SG 3.45Å; C182-C205 HydrophobicContact CB-CB 3.66Å; C182-C205 WeakPolarHBondContact CB-SG 3.21Å; C182-C205 VanDerWaalsContact SG-CA 3.53Å; C182-C205 WeakPolarHBondContact SG-CB 3.35Å; C182-C205 CovalentContact SG-SG 2.04Å; C182-C205 PolarHBondContact SG-SG 2.89Å; C205-Q239 HydrophobicContact CB-CB 4.21Å; C205-Q239 HydrophobicContact CB-CG 4.4Å
206N90.6Very high87.2Confident59 Ų5967.1 Ų67.132%0.31636%0.362SS..SBendtrans-135.1163.4177.565.115.3000110A204 T208 D209 L210A204-N206 PolarHBondContact O-N 2.74Å; N206-T208 VanDerWaalsContact CG-OG1 3.24Å; N206-T208 PolarHBondContact ND2-OG1 3.39Å; N206-T208 PolarHBondContact O-N 3.38Å; N206-T208 PolarHBondContact OD1-N 3.05Å; N206-T208 PolarHBondContact OD1-OG1 2.77Å; N206-T208 VanDerWaalsContact OD1-OG1 3.04Å; N206-D209 WeakPolarHBondContact OD1-CB 3.25Å; N206-D209 PolarHBondContact OD1-N 3.45Å; N206-D209 PolarHBondContact OD1-OD1 3.12Å; N206-L210 WeakPolarHBondContact O-CB 3.46Å; N206-L210 WeakPolarHBondContact O-CD1 3.37Å; N206-L210 VanDerWaalsContact O-CG 3.24Å; N206-L210 WeakPolarHBondContact O-CG 3.4Å; N206-L210 PolarHBondContact O-N 3.02Å
207A87.2Confident87.3Confident26 Ų2666.5 Ų66.522%0.21536%0.359CS..Hα-helixtrans-64.1-25.7-178.800000113.9R211 L232 I237A207-R211 VanDerWaalsContact O-CG 3.31Å; A207-R211 WeakPolarHBondContact O-CG 3.42Å; A207-L232 HydrophobicContact CB-CD1 3.3Å; A207-I237 HydrophobicContact CB-CD1 4.37Å
208T88.3Confident87.2Confident79 Ų7962.8 Ų62.849%0.48535%0.345SS..Hα-helixtrans-75.1-47.5-177.749.50000111.5N206 R211N206-T208 VanDerWaalsContact CG-OG1 3.24Å; N206-T208 PolarHBondContact ND2-OG1 3.39Å; N206-T208 PolarHBondContact O-N 3.38Å; N206-T208 PolarHBondContact OD1-N 3.05Å; N206-T208 PolarHBondContact OD1-OG1 2.77Å; N206-T208 VanDerWaalsContact OD1-OG1 3.04Å; T208-R211 PolarHBondContact O-N 3.28Å
209D88.4Confident87.1Confident47 Ų4763.6 Ų63.625%0.25136%0.36SS..Hα-helixtrans-78-37.6-173.9-61.513.6000109.7L203 A204 N206 R211 H212L203-D209 HydrophobicContact CB-CB 4.11Å; L203-D209 HydrophobicContact CD2-CB 3.99Å; A204-D209 WeakPolarHBondContact CB-OD2 3.43Å; A204-D209 PolarHBondContact N-OD2 2.97Å; N206-D209 WeakPolarHBondContact OD1-CB 3.25Å; N206-D209 PolarHBondContact OD1-N 3.45Å; N206-D209 PolarHBondContact OD1-OD1 3.12Å; D209-R211 PolarHBondContact O-N 3.41Å; D209-H212 WeakPolarHBondContact O-CB 3.44Å; D209-H212 PolarHBondContact O-CD2 3.5Å; D209-H212 VanDerWaalsContact O-CD2 3.24Å; D209-H212 PolarHBondContact O-N 3.05Å; D209-H212 VanDerWaalsContact O-N 3.15Å
210L89.6Confident87.2Confident1 Ų162.9 Ų62.91%0.00535%0.348CS..Hα-helixtrans-67-19.7177.6-66.2173.8000113.5V184 L191 N206 H212 L213 Y214 F228 I237V184-L210 HydrophobicContact CG2-CD1 3.93Å; L191-L210 HydrophobicContact CD2-CD2 4.39Å; N206-L210 WeakPolarHBondContact O-CB 3.46Å; N206-L210 WeakPolarHBondContact O-CD1 3.37Å; N206-L210 VanDerWaalsContact O-CG 3.24Å; N206-L210 WeakPolarHBondContact O-CG 3.4Å; N206-L210 PolarHBondContact O-N 3.02Å; L210-H212 PolarHBondContact O-N 3.5Å; L210-L213 HydrophobicContact CD2-CD1 3.78Å; L210-L213 WeakPolarHBondContact O-CB 3.23Å; L210-L213 PolarHBondContact O-N 2.85Å; L210-Y214 HydrophobicContact CB-CD2 4.48Å; L210-Y214 HydrophobicContact CB-CE2 4.49Å; L210-Y214 VanDerWaalsContact O-CD2 3.25Å; L210-Y214 WeakPolarHBondContact O-CD2 3.21Å; L210-F228 HydrophobicContact CB-CE2 3.8Å; L210-F228 HydrophobicContact CB-CZ 4.26Å; L210-I237 HydrophobicContact CD1-CD1 4.39Å; L210-I237 HydrophobicContact CD1-CG2 3.7Å
211R90Very high87.2Confident56 Ų5664.3 Ų64.321%0.21134%0.343CS..Hα-helixtrans-58-28.3172.6-85.2176.6168.3108-6.4112.5A207 T208 D209 L213 Y214 C215 V218 D221 F228A207-R211 VanDerWaalsContact O-CG 3.31Å; A207-R211 WeakPolarHBondContact O-CG 3.42Å; T208-R211 PolarHBondContact O-N 3.28Å; D209-R211 PolarHBondContact O-N 3.41Å; R211-L213 PolarHBondContact O-N 3.43Å; R211-Y214 PolarHBondContact O-N 2.87Å; R211-C215 VanDerWaalsContact O-CB 3.28Å; R211-C215 WeakPolarHBondContact O-CB 3.3Å; R211-C215 PolarHBondContact O-N 3.4Å; R211-V218 HydrophobicContact CB-CG1 3.95Å; R211-D221 IonicContact NH2-OD1 3.46Å; R211-D221 PolarHBondContact NH2-OD1 2.98Å; R211-F228 HydrophobicContact CG-CE1 3.74Å; R211-F228 HydrophobicContact CG-CZ 3.95Å
212H88.3Confident86.9Confident94 Ų9463.2 Ų63.244%0.43535%0.35SS..Hα-helixtrans-64.7-23177-68-74.7000113.6W194 L203 D209 L210W194-H212 HydrophobicContact CH2-CB 3.69Å; W194-H212 HydrophobicContact CZ2-CB 4.26Å; W194-H212 HydrophobicContact CZ3-CB 3.97Å; L203-H212 HydrophobicContact CD2-CB 4.47Å; D209-H212 WeakPolarHBondContact O-CB 3.44Å; D209-H212 PolarHBondContact O-CD2 3.5Å; D209-H212 VanDerWaalsContact O-CD2 3.24Å; D209-H212 PolarHBondContact O-N 3.05Å; D209-H212 VanDerWaalsContact O-N 3.15Å; L210-H212 PolarHBondContact O-N 3.5Å
213L86.9Confident86.7Confident22 Ų2257.8 Ų57.812%0.11533%0.333CS..Hα-helixtrans-87.8-29.2177.7-76.3159.3000113.3P189 L191 W194 L203 L210 R211 S286P189-L213 HydrophobicContact CB-CD1 4.45Å; L191-L213 HydrophobicContact CD2-CD1 3.74Å; W194-L213 HydrophobicContact CB-CD2 3.87Å; W194-L213 HydrophobicContact CE3-CD2 4.22Å; W194-L213 HydrophobicContact CG-CD2 4.42Å; L203-L213 HydrophobicContact CD1-CD1 3.58Å; L203-L213 HydrophobicContact CD1-CD2 4.5Å; L203-L213 HydrophobicContact CD1-CG 3.78Å; L210-L213 HydrophobicContact CD2-CD1 3.78Å; L210-L213 WeakPolarHBondContact O-CB 3.23Å; L210-L213 PolarHBondContact O-N 2.85Å; R211-L213 PolarHBondContact O-N 3.43Å; L213-S286 PolarHBondContact O-OG 3.32Å
214Y87.9Confident86.5Confident14 Ų1457.3 Ų57.36%0.05533%0.331CS..Hα-helixtrans-116.3-9.6-166-63.7-65.7000114.2V184 P189 L210 R211 C224 D225 F228 S286 F287V184-Y214 HydrophobicContact CG2-CE2 4.02Å; P189-Y214 WeakPolarHBondContact CA-OH 3.46Å; P189-Y214 VanDerWaalsContact CB-OH 3.27Å; P189-Y214 WeakPolarHBondContact CB-OH 3.26Å; L210-Y214 HydrophobicContact CB-CD2 4.48Å; L210-Y214 HydrophobicContact CB-CE2 4.49Å; L210-Y214 VanDerWaalsContact O-CD2 3.25Å; L210-Y214 WeakPolarHBondContact O-CD2 3.21Å; R211-Y214 PolarHBondContact O-N 2.87Å; Y214-C224 CarbonylContact O-C 3.5Å; Y214-C224 VanDerWaalsContact O-CA 3.3Å; Y214-C224 WeakPolarHBondContact O-CA 3.39Å; Y214-D225 HydrophobicContact CD1-CB 4.24Å; Y214-D225 PolarHBondContact O-N 2.91Å; Y214-F228 HydrophobicContact CD1-CB 4.28Å; Y214-F228 HydrophobicContact CD2-CB 4.08Å; Y214-F228 HydrophobicContact CD2-CD1 4.46Å; Y214-F228 AromaticContact CD2-CD2 3.31Å; Y214-F228 HydrophobicContact CD2-CD2 3.31Å; Y214-F228 AromaticContact CD2-CE2 3.8Å; Y214-F228 HydrophobicContact CD2-CE2 3.8Å; Y214-F228 AromaticContact CD2-CG 3.7Å; Y214-F228 HydrophobicContact CD2-CG 3.7Å; Y214-F228 AromaticContact CE2-CD2 3.87Å; Y214-F228 HydrophobicContact CE2-CD2 3.87Å; Y214-F228 HydrophobicContact CE2-CE2 4.37Å; Y214-F228 HydrophobicContact CG-CB 3.8Å; Y214-F228 HydrophobicContact CG-CD1 4.48Å; Y214-F228 AromaticContact CG-CD2 3.92Å; Y214-F228 HydrophobicContact CG-CD2 3.92Å; Y214-F228 AromaticContact CG-CG 3.81Å; Y214-F228 HydrophobicContact CG-CG 3.81Å; Y214-S286 VanDerWaalsContact CE1-CB 3.42Å; Y214-S286 PolarHBondContact OH-O 2.87Å; Y214-F287 HydrophobicContact CD1-CE2 4.29Å; Y214-F287 HydrophobicContact CD1-CZ 4.16Å; Y214-F287 HydrophobicContact CE1-CD1 4.24Å; Y214-F287 HydrophobicContact CE1-CD2 4.13Å; Y214-F287 AromaticContact CE1-CE1 3.68Å; Y214-F287 HydrophobicContact CE1-CE1 3.68Å; Y214-F287 AromaticContact CE1-CE2 3.54Å; Y214-F287 HydrophobicContact CE1-CE2 3.54Å; Y214-F287 HydrophobicContact CE1-CG 4.44Å; Y214-F287 AromaticContact CE1-CZ 3.28Å; Y214-F287 HydrophobicContact CE1-CZ 3.28Å; Y214-F287 AromaticContact CZ-CE1 3.58Å; Y214-F287 AromaticContact CZ-CZ 3.65Å; Y214-F287 VanDerWaalsContact OH-CD1 3.31Å; Y214-F287 WeakPolarHBondContact OH-CD1 3.46Å; Y214-F287 WeakPolarHBondContact OH-CE1 3.5Å
215C87.2Confident86.2Confident12 Ų1256.1 Ų56.18%0.08132%0.319CS..BIsolated β-bridgetrans-122.3127.2-177.8-48.10000110.8R211 N217 C224R211-C215 VanDerWaalsContact O-CB 3.28Å; R211-C215 WeakPolarHBondContact O-CB 3.3Å; R211-C215 PolarHBondContact O-N 3.4Å; C215-N217 PolarHBondContact O-N 2.84Å; C215-C224 HydrophobicContact CB-CB 4.01Å; C215-C224 WeakPolarHBondContact CB-SG 3.26Å; C215-C224 WeakPolarHBondContact SG-CB 3.31Å; C215-C224 CovalentContact SG-SG 2.03Å; C215-C224 PolarHBondContact SG-SG 3.4Å
216L83.6Confident86.1Confident161 Ų16158.9 Ų58.984%0.84334%0.336SS*.SBendtrans-62-37171.4-69.7167.7000111.2T223L216-T223 PolarHBondContact N-O 2.83Å
217N84Confident85.9Confident71 Ų7157.5 Ų57.538%0.3833%0.327SS..SBendtrans-125.2110.3170.6-173.7-11.2000109.6C215 S219 M220 T223C215-N217 PolarHBondContact O-N 2.84Å; N217-S219 PolarHBondContact ND2-OG 3.48Å; N217-S219 PolarHBondContact O-N 3.37Å; N217-S219 PolarHBondContact OD1-N 2.89Å; N217-S219 PolarHBondContact OD1-OG 3.1Å; N217-M220 HydrophobicContact CB-CB 4.49Å; N217-M220 PolarHBondContact O-N 3.09Å; N217-T223 HydrophobicContact CB-CG2 4.32Å; N217-T223 PolarHBondContact N-OG1 3.07Å; N217-T223 VanDerWaalsContact N-OG1 3.11Å; N217-T223 PolarHBondContact O-OG1 3.49Å
218V82.4Confident85.9Confident56 Ų5656.2 Ų56.234%0.33932%0.316SS..THydrogen-bonded Turntrans-52.8-26.1-178.2-179.90000113R211R211-V218 HydrophobicContact CB-CG1 3.95Å
219S84.8Confident86Confident96 Ų9654.2 Ų54.267%0.67130%0.302SS*.THydrogen-bonded Turntrans-85.8-12.4-179.564.10000115.2N217N217-S219 PolarHBondContact ND2-OG 3.48Å; N217-S219 PolarHBondContact O-N 3.37Å; N217-S219 PolarHBondContact OD1-N 2.89Å; N217-S219 PolarHBondContact OD1-OG 3.1Å
220M83.4Confident86Confident91 Ų9157.4 Ų57.445%0.44831%0.314SS..  trans-121.5109.2-174.5-63.1-142-56.200112.1N217 S222 T223N217-M220 HydrophobicContact CB-CB 4.49Å; N217-M220 PolarHBondContact O-N 3.09Å; M220-S222 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact O-N 3.15Å; M220-T223 HydrophobicContact CB-CG2 3.98Å; M220-T223 HydrophobicContact CE-CG2 3.85Å; M220-T223 PolarHBondContact O-N 2.87Å; M220-T223 PolarHBondContact O-OG1 3.1Å
221D83.1Confident86Confident84 Ų8457.5 Ų57.545%0.44932%0.315SS..G310 helixtrans-57.4-30.8177-71.3-19.5000112R211 T223 C224 L229R211-D221 IonicContact NH2-OD1 3.46Å; R211-D221 PolarHBondContact NH2-OD1 2.98Å; D221-T223 PolarHBondContact O-N 3.32Å; D221-T223 VanDerWaalsContact O-N 3.1Å; D221-C224 WeakPolarHBondContact O-CB 3.15Å; D221-C224 PolarHBondContact O-N 3.37Å; D221-L229 HydrophobicContact CB-CD2 4.04Å; D221-L229 VanDerWaalsContact O-CD1 3.29Å; D221-L229 WeakPolarHBondContact O-CD1 3.21Å
222S82Confident85.9Confident107 Ų10757 Ų5775%0.74832%0.317SS*.G310 helixtrans-64.1-15.5176.865.60000114.4M220M220-S222 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact O-N 3.15Å
223T83.7Confident86Confident38 Ų3860.2 Ų60.223%0.23333%0.332CS..G310 helixtrans-100.6-0.9178.1700000113L216 N217 M220 D221L216-T223 PolarHBondContact N-O 2.83Å; N217-T223 HydrophobicContact CB-CG2 4.32Å; N217-T223 PolarHBondContact N-OG1 3.07Å; N217-T223 VanDerWaalsContact N-OG1 3.11Å; N217-T223 PolarHBondContact O-OG1 3.49Å; M220-T223 HydrophobicContact CB-CG2 3.98Å; M220-T223 HydrophobicContact CE-CG2 3.85Å; M220-T223 PolarHBondContact O-N 2.87Å; M220-T223 PolarHBondContact O-OG1 3.1Å; D221-T223 PolarHBondContact O-N 3.32Å; D221-T223 VanDerWaalsContact O-N 3.1Å
224C85.2Confident86.2Confident12 Ų1264 Ų648%0.08135%0.352CS..BIsolated β-bridgetrans-88.5151.3-179.7-60.70000111.5Y214 C215 D221 F228 L229Y214-C224 CarbonylContact O-C 3.5Å; Y214-C224 VanDerWaalsContact O-CA 3.3Å; Y214-C224 WeakPolarHBondContact O-CA 3.39Å; C215-C224 HydrophobicContact CB-CB 4.01Å; C215-C224 WeakPolarHBondContact CB-SG 3.26Å; C215-C224 WeakPolarHBondContact SG-CB 3.31Å; C215-C224 CovalentContact SG-SG 2.03Å; C215-C224 PolarHBondContact SG-SG 3.4Å; D221-C224 WeakPolarHBondContact O-CB 3.15Å; D221-C224 PolarHBondContact O-N 3.37Å; C224-F228 HydrophobicContact CB-CD1 4.48Å; C224-L229 HydrophobicContact CB-CD1 4.09Å; C224-L229 HydrophobicContact CB-CD2 3.78Å; C224-L229 HydrophobicContact CB-CG 3.81Å
225D84.7Confident86.4Confident18 Ų1870 Ų7010%0.09639%0.385CS..  trans-55.3129.3171.4171.9-105.4000111.4Y214 Y227 F228 L229 A283Y214-D225 HydrophobicContact CD1-CB 4.24Å; Y214-D225 PolarHBondContact O-N 2.91Å; D225-Y227 VanDerWaalsContact C-N 3.28Å; D225-Y227 PolarHBondContact O-N 3.07Å; D225-Y227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Y227 VanDerWaalsContact OD1-CB 3.24Å; D225-Y227 WeakPolarHBondContact OD1-CB 3.43Å; D225-Y227 PolarHBondContact OD1-N 3.35Å; D225-F228 HydrophobicContact CB-CB 4.15Å; D225-F228 WeakPolarHBondContact O-CB 3.41Å; D225-F228 PolarHBondContact O-N 3.34Å; D225-F228 PolarHBondContact OD1-N 3.27Å; D225-L229 PolarHBondContact O-N 3.28Å; D225-A283 HydrophobicContact CB-CB 4.21Å; D225-A283 WeakPolarHBondContact OD2-CB 3.47Å
226P86.6Confident86.5Confident92 Ų9271.8 Ų71.860%0.59740%0.396SS*.Hα-helixtrans-63.5-30.5-177.421.6-32.8000113.5K230P226-K230 WeakPolarHBondContact O-CB 3.45Å; P226-K230 PolarHBondContact O-N 2.96Å
227Y85.7Confident86.9Confident30 Ų3065.5 Ų65.512%0.11836%0.362CS..Hα-helixtrans-69.9-42.9176.2-179.1-86.2000110.9V184 D186 R187 D225 L229 K230 A231 F287V184-Y227 HydrophobicContact CG1-CE1 4.39Å; V184-Y227 WeakPolarHBondContact O-CE1 3.34Å; D186-Y227 PolarHBondContact N-OH 3.28Å; R187-Y227 HydrophobicContact CB-CE1 4.11Å; R187-Y227 HydrophobicContact CG-CE1 3.88Å; R187-Y227 VanDerWaalsContact CZ-CD2 3.47Å; D225-Y227 VanDerWaalsContact C-N 3.28Å; D225-Y227 PolarHBondContact O-N 3.07Å; D225-Y227 WeakPolarHBondContact OD1-CA 3.46Å; D225-Y227 VanDerWaalsContact OD1-CB 3.24Å; D225-Y227 WeakPolarHBondContact OD1-CB 3.43Å; D225-Y227 PolarHBondContact OD1-N 3.35Å; Y227-L229 PolarHBondContact O-N 3.36Å; Y227-K230 PolarHBondContact O-N 2.85Å; Y227-A231 WeakPolarHBondContact O-CB 3.37Å; Y227-A231 PolarHBondContact O-N 2.96Å; Y227-F287 HydrophobicContact CD1-CE2 4.48Å; Y227-F287 AromaticContact CD1-CZ 3.83Å; Y227-F287 HydrophobicContact CD1-CZ 3.83Å; Y227-F287 HydrophobicContact CE1-CZ 4.29Å
228F88.8Confident87.3Confident0 Ų067.4 Ų67.40%037%0.365CS..Hα-helixtrans-58.7-45.6172.3174-102.6000112.1V184 L210 R211 Y214 C224 D225 K230 A231 L232 I237V184-F228 HydrophobicContact CG1-CD2 3.93Å; L210-F228 HydrophobicContact CB-CE2 3.8Å; L210-F228 HydrophobicContact CB-CZ 4.26Å; R211-F228 HydrophobicContact CG-CE1 3.74Å; R211-F228 HydrophobicContact CG-CZ 3.95Å; Y214-F228 HydrophobicContact CD1-CB 4.28Å; Y214-F228 HydrophobicContact CD2-CB 4.08Å; Y214-F228 HydrophobicContact CD2-CD1 4.46Å; Y214-F228 AromaticContact CD2-CD2 3.31Å; Y214-F228 HydrophobicContact CD2-CD2 3.31Å; Y214-F228 AromaticContact CD2-CE2 3.8Å; Y214-F228 HydrophobicContact CD2-CE2 3.8Å; Y214-F228 AromaticContact CD2-CG 3.7Å; Y214-F228 HydrophobicContact CD2-CG 3.7Å; Y214-F228 AromaticContact CE2-CD2 3.87Å; Y214-F228 HydrophobicContact CE2-CD2 3.87Å; Y214-F228 HydrophobicContact CE2-CE2 4.37Å; Y214-F228 HydrophobicContact CG-CB 3.8Å; Y214-F228 HydrophobicContact CG-CD1 4.48Å; Y214-F228 AromaticContact CG-CD2 3.92Å; Y214-F228 HydrophobicContact CG-CD2 3.92Å; Y214-F228 AromaticContact CG-CG 3.81Å; Y214-F228 HydrophobicContact CG-CG 3.81Å; C224-F228 HydrophobicContact CB-CD1 4.48Å; D225-F228 HydrophobicContact CB-CB 4.15Å; D225-F228 WeakPolarHBondContact O-CB 3.41Å; D225-F228 PolarHBondContact O-N 3.34Å; D225-F228 PolarHBondContact OD1-N 3.27Å; F228-K230 VanDerWaalsContact C-N 3.34Å; F228-K230 PolarHBondContact O-N 3.05Å; F228-A231 PolarHBondContact O-N 3.01Å; F228-L232 WeakPolarHBondContact O-CB 3.39Å; F228-L232 PolarHBondContact O-N 3.28Å; F228-I237 HydrophobicContact CE2-CD1 3.82Å; F228-I237 HydrophobicContact CZ-CD1 4.44Å
229L89.3Confident87.8Confident36 Ų3670.2 Ų70.219%0.18837%0.374CS..Hα-helixtrans-62.1-40.9176.7-68.7175.2000112.3D221 C224 D225 Y227 L232 Q233D221-L229 HydrophobicContact CB-CD2 4.04Å; D221-L229 VanDerWaalsContact O-CD1 3.29Å; D221-L229 WeakPolarHBondContact O-CD1 3.21Å; C224-L229 HydrophobicContact CB-CD1 4.09Å; C224-L229 HydrophobicContact CB-CD2 3.78Å; C224-L229 HydrophobicContact CB-CG 3.81Å; D225-L229 PolarHBondContact O-N 3.28Å; Y227-L229 PolarHBondContact O-N 3.36Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.68Å; L229-Q233 WeakPolarHBondContact O-CB 3.23Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.01Å
230K88.9Confident88.3Confident114 Ų11467.8 Ų67.850%0.49635%0.353SS..Hα-helixtrans-63.4-41.9175.1-175.1-178.2178.5-173.60111.4P226 Y227 F228 L232 Q233 N234P226-K230 WeakPolarHBondContact O-CB 3.45Å; P226-K230 PolarHBondContact O-N 2.96Å; Y227-K230 PolarHBondContact O-N 2.85Å; F228-K230 VanDerWaalsContact C-N 3.34Å; F228-K230 PolarHBondContact O-N 3.05Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-Q233 PolarHBondContact O-N 3.29Å; K230-N234 WeakPolarHBondContact O-CB 3.22Å; K230-N234 PolarHBondContact O-N 3.34Å
231A88.8Confident88.8Confident4 Ų468.4 Ų68.43%0.03335%0.35CS..Hα-helixtrans-65.3-36.4175.700000112.2V184 Y227 F228 N235 T236V184-A231 HydrophobicContact CG1-CB 3.76Å; Y227-A231 WeakPolarHBondContact O-CB 3.37Å; Y227-A231 PolarHBondContact O-N 2.96Å; F228-A231 PolarHBondContact O-N 3.01Å; A231-N235 PolarHBondContact O-N 3.3Å; A231-N235 VanDerWaalsContact O-N 3.1Å; A231-T236 VanDerWaalsContact CA-OG1 3.27Å; A231-T236 WeakPolarHBondContact CA-OG1 3.47Å; A231-T236 WeakPolarHBondContact CB-OG1 3.32Å; A231-T236 PolarHBondContact O-N 3.23Å; A231-T236 PolarHBondContact O-OG1 3.47Å
232L89.6Confident89.3Confident46 Ų4664.4 Ų64.424%0.24133%0.329CS..Hα-helixtrans-65.5-48.2174.3-178.262.6000111.4A207 F228 L229 K230 N234 N235 I237A207-L232 HydrophobicContact CB-CD1 3.3Å; F228-L232 WeakPolarHBondContact O-CB 3.39Å; F228-L232 PolarHBondContact O-N 3.28Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.68Å; K230-L232 VanDerWaalsContact C-N 3.32Å; L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.03Å; L232-N235 PolarHBondContact O-N 2.77Å; L232-N235 VanDerWaalsContact O-N 3.15Å; L232-I237 HydrophobicContact CD1-CD1 4.36Å
233Q89.9Confident89.9Confident161 Ų16159.4 Ų59.475%0.75229%0.294SS*.Hα-helixtrans-60.6-40.5177.6-75.2176.3-6.700112.3L229 K230 N235L229-Q233 WeakPolarHBondContact O-CB 3.23Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.01Å; K230-Q233 PolarHBondContact O-N 3.29Å; Q233-N235 VanDerWaalsContact C-N 3.28Å; Q233-N235 PolarHBondContact O-N 3.41Å
234N91.1Very high90.4Very high101 Ų10159.9 Ų59.954%0.5429%0.293SS..THydrogen-bonded Turntrans-82.9-1.4179-68.5-13.4000113.7K230 L232 T236K230-N234 WeakPolarHBondContact O-CB 3.22Å; K230-N234 PolarHBondContact O-N 3.34Å; L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.03Å; N234-T236 VanDerWaalsContact C-N 3.29Å; N234-T236 HydrophobicContact CB-CG2 3.74Å; N234-T236 PolarHBondContact O-N 3.41Å
235N91.3Very high90.8Very high139 Ų13959.3 Ų59.374%0.74329%0.29SS*.THydrogen-bonded Turntrans52.443.2-175.2-161.933.2000113.4A231 L232 Q233A231-N235 PolarHBondContact O-N 3.3Å; A231-N235 VanDerWaalsContact O-N 3.1Å; L232-N235 PolarHBondContact O-N 2.77Å; L232-N235 VanDerWaalsContact O-N 3.15Å; Q233-N235 VanDerWaalsContact C-N 3.28Å; Q233-N235 PolarHBondContact O-N 3.41Å
236T90.4Very high91.2Very high51 Ų5159.6 Ų59.631%0.31330%0.295SS..  trans-99.310.4-17758.50000113.5G185 A231 N234 R238G185-T236 WeakPolarHBondContact CA-O 3.2Å; G185-T236 VanDerWaalsContact CA-OG1 3.28Å; G185-T236 WeakPolarHBondContact CA-OG1 3.38Å; G185-T236 PolarHBondContact N-O 3.39Å; G185-T236 VanDerWaalsContact N-O 3.08Å; A231-T236 VanDerWaalsContact CA-OG1 3.27Å; A231-T236 WeakPolarHBondContact CA-OG1 3.47Å; A231-T236 WeakPolarHBondContact CB-OG1 3.32Å; A231-T236 PolarHBondContact O-N 3.23Å; A231-T236 PolarHBondContact O-OG1 3.47Å; N234-T236 VanDerWaalsContact C-N 3.29Å; N234-T236 HydrophobicContact CB-CG2 3.74Å; N234-T236 PolarHBondContact O-N 3.41Å; T236-R238 PolarHBondContact O-N 3.36Å
237I91.9Very high91.5Very high28 Ų2859.6 Ų59.614%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-78117.7171.6-59.7173000107.9M183 A207 L210 F228 L232M183-I237 VanDerWaalsContact O-CA 3.3Å; M183-I237 WeakPolarHBondContact O-CA 3.37Å; A207-I237 HydrophobicContact CB-CD1 4.37Å; L210-I237 HydrophobicContact CD1-CD1 4.39Å; L210-I237 HydrophobicContact CD1-CG2 3.7Å; F228-I237 HydrophobicContact CE2-CD1 3.82Å; F228-I237 HydrophobicContact CZ-CD1 4.44Å; L232-I237 HydrophobicContact CD1-CD1 4.36Å
238R92.9Very high91.7Very high112 Ų11260.9 Ų60.942%0.42331%0.307SS..EExtended strand (participates in β ladder)trans-141.2146.8-174.161.4-174.3169.2-161.1-10.8112M183 G185 D186 T236 L240M183-R238 HydrophobicContact CB-CG 3.86Å; M183-R238 PolarHBondContact N-O 3.04Å; M183-R238 PolarHBondContact O-N 3Å; G185-R238 PolarHBondContact O-NH2 3.29Å; D186-R238 IonicContact OD1-NH2 3.26Å; D186-R238 PolarHBondContact OD1-NH2 2.99Å; T236-R238 PolarHBondContact O-N 3.36Å; R238-L240 HydrophobicContact CG-CD2 4.45Å; R238-L240 HydrophobicContact CG-CG 4.43Å
239Q92.9Very high91.8Very high115 Ų11562.7 Ų62.754%0.53733%0.325SS..EExtended strand (participates in β ladder)trans-99.9125.7174.4-170.3175.919.500109.7K180 F181 C205K180-Q239 HydrophobicContact CB-CG 3.79Å; K180-Q239 HydrophobicContact CD-CG 4.26Å; F181-Q239 WeakPolarHBondContact O-CA 3.47Å; C205-Q239 HydrophobicContact CB-CB 4.21Å; C205-Q239 HydrophobicContact CB-CG 4.4Å
240L93.5Very high91.9Very high45 Ų4561.4 Ų61.424%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-115154.8-178.2-62.2-179.7000111.1K180 F181 M183 R238K180-L240 CarbonylContact C-O 3.53Å; K180-L240 WeakPolarHBondContact CA-O 3.34Å; K180-L240 WeakPolarHBondContact CB-O 3.34Å; F181-L240 HydrophobicContact CD1-CB 4.39Å; F181-L240 HydrophobicContact CE1-CB 3.8Å; F181-L240 HydrophobicContact CZ-CB 3.98Å; F181-L240 HydrophobicContact CZ-CD1 4.19Å; F181-L240 PolarHBondContact N-O 3.48Å; F181-L240 PolarHBondContact O-N 3.08Å; M183-L240 HydrophobicContact CG-CD1 3.7Å; M183-L240 HydrophobicContact CG-CG 4.23Å; R238-L240 HydrophobicContact CG-CD2 4.45Å; R238-L240 HydrophobicContact CG-CG 4.43Å
241R94.6Very high92.1Very high103 Ų10359.1 Ų59.139%0.38931%0.311SS..EExtended strand (participates in β ladder)trans-75.1132.5170.6-68.2176.5174.4168.6-5.3108.7D177 I243 E244D177-R241 VanDerWaalsContact CG-NH2 3.33Å; D177-R241 IonicContact OD1-CZ 2.79Å; D177-R241 IonicContact OD1-NE 2.82Å; D177-R241 PolarHBondContact OD1-NE 3.36Å; D177-R241 IonicContact OD1-NH2 3.59Å; D177-R241 PolarHBondContact OD1-NH2 3.03Å; D177-R241 VanDerWaalsContact OD1-NH2 3.14Å; D177-R241 IonicContact OD2-CZ 3.39Å; D177-R241 IonicContact OD2-NE 3.35Å; D177-R241 IonicContact OD2-NH2 3.03Å; D177-R241 PolarHBondContact OD2-NH2 3.01Å; R241-I243 VanDerWaalsContact C-N 3.3Å; R241-E244 HydrophobicContact CB-CG 4.43Å
242A93.9Very high92.3Very high0 Ų067.4 Ų67.40%035%0.346CS..EExtended strand (participates in β ladder)trans-67.5-36.4171.700000111.1L179 F181 I353 N354 F357L179-A242 HydrophobicContact CB-CB 4.08Å; L179-A242 HydrophobicContact CD2-CB 3.81Å; L179-A242 HydrophobicContact CG-CB 3.97Å; L179-A242 WeakPolarHBondContact O-CB 3.43Å; L179-A242 PolarHBondContact O-N 3.04Å; F181-A242 HydrophobicContact CD1-CB 4.2Å; A242-I353 WeakPolarHBondContact O-CA 3.5Å; A242-I353 WeakPolarHBondContact O-CG2 3.45Å; A242-N354 PolarHBondContact O-N 3.39Å; A242-F357 HydrophobicContact CB-CD1 3.75Å; A242-F357 HydrophobicContact CB-CE1 3.83Å; A242-F357 HydrophobicContact CB-CG 4.18Å; A242-F357 HydrophobicContact CB-CZ 4.36Å
243I94.7Very high92.3Very high3 Ų367.3 Ų67.32%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-111.198.3178-56.8160.3000108.3N172 G175 S176 R241 A352 E374 L375N172-I243 HydrophobicContact CB-CG2 4.03Å; G175-I243 CarbonylContact C-O 3.58Å; G175-I243 VanDerWaalsContact CA-O 3.27Å; G175-I243 WeakPolarHBondContact CA-O 3.28Å; S176-I243 PolarHBondContact N-O 3.31Å; R241-I243 VanDerWaalsContact C-N 3.3Å; I243-A352 CarbonylContact C-O 3.6Å; I243-E374 HydrophobicContact CD1-CB 4.22Å; I243-E374 WeakPolarHBondContact CD1-O 3.33Å; I243-L375 HydrophobicContact CD1-CB 4.47Å; I243-L375 HydrophobicContact CD1-CD1 4.48Å; I243-L375 HydrophobicContact CG1-CD1 4.5Å; I243-L375 HydrophobicContact CG2-CD1 3.92Å
244E94.2Very high92.6Very high47 Ų4759.7 Ų59.722%0.2232%0.316CS..  trans-82.5-24177.7-64.2-170.1-170.700112.6G175 R241 I250 A352 N354G175-E244 WeakPolarHBondContact CA-O 3.34Å; G175-E244 PolarHBondContact N-O 2.99Å; R241-E244 HydrophobicContact CB-CG 4.43Å; E244-I250 HydrophobicContact CB-CB 4.5Å; E244-I250 WeakPolarHBondContact OE2-CD1 3.45Å; E244-A352 PolarHBondContact N-O 2.68Å; E244-N354 HydrophobicContact CG-CB 4.34Å; E244-N354 PolarHBondContact OE1-ND2 3.46Å
245G93.5Very high92.7Very high0 Ų057.9 Ų57.90%031%0.306CS..  trans79161-177.700000113.3N172 I173 T247 S248 A351 A352N172-G245 WeakPolarHBondContact O-CA 3.3Å; I173-G245 CarbonylContact O-C 3.21Å; I173-G245 WeakPolarHBondContact O-CA 3.25Å; G245-T247 VanDerWaalsContact C-N 3.26Å; G245-T247 PolarHBondContact O-N 3.44Å; G245-S248 WeakPolarHBondContact O-CB 3.21Å; G245-S248 PolarHBondContact O-N 2.99Å; G245-S248 PolarHBondContact O-OG 3.39Å; G245-A351 CarbonylContact C-O 3.58Å; G245-A352 PolarHBondContact N-O 3.1Å
246A92.8Very high92.9Very high25 Ų2558 Ų5821%0.20730%0.3CS..G310 helixtrans-66.4-25.4-174.400000114.2F169 I173 S248 A351F169-A246 HydrophobicContact CE2-CB 4.17Å; F169-A246 HydrophobicContact CZ-CB 4.14Å; I173-A246 HydrophobicContact CG1-CB 4.03Å; I173-A246 PolarHBondContact O-N 3.45Å; A246-S248 VanDerWaalsContact C-N 3.3Å; A246-S248 PolarHBondContact O-N 3.48Å; A246-A351 WeakPolarHBondContact CA-O 3.36Å; A246-A351 HydrophobicContact CB-CB 4.37Å; A246-A351 PolarHBondContact N-O 2.92Å
247T92.4Very high93Very high91 Ų9157.7 Ų57.756%0.55830%0.299SS*.G310 helixtrans-74.8-17.8179.5550000113.7I173 N174 G245 G249I173-T247 HydrophobicContact CG1-CG2 4.41Å; I173-T247 PolarHBondContact O-N 2.91Å; I173-T247 PolarHBondContact O-OG1 3.1Å; N174-T247 WeakPolarHBondContact CA-OG1 3.42Å; N174-T247 WeakPolarHBondContact OD1-CG2 3.37Å; N174-T247 PolarHBondContact OD1-OG1 3.24Å; G245-T247 VanDerWaalsContact C-N 3.26Å; G245-T247 PolarHBondContact O-N 3.44Å; T247-G249 PolarHBondContact O-N 3.44Å
248S91.4Very high93Very high58 Ų5858 Ų5841%0.40630%0.299SS..G310 helixtrans-65.1-21.5176.965.30000113.7G245 A246 I250G245-S248 WeakPolarHBondContact O-CB 3.21Å; G245-S248 PolarHBondContact O-N 2.99Å; G245-S248 PolarHBondContact O-OG 3.39Å; A246-S248 VanDerWaalsContact C-N 3.3Å; A246-S248 PolarHBondContact O-N 3.48Å; S248-I250 WeakPolarHBondContact OG-CB 3.46Å; S248-I250 WeakPolarHBondContact OG-CG2 3.38Å; S248-I250 PolarHBondContact OG-N 2.99Å; S248-I250 VanDerWaalsContact OG-N 3.13Å
249G89.6Confident93Very high37 Ų3755.5 Ų55.538%0.38129%0.29SS..THydrogen-bonded Turntrans83.49.3-170.600000114.4T247 I251 K252T247-G249 PolarHBondContact O-N 3.44Å; G249-I251 PolarHBondContact O-N 3.12Å; G249-K252 PolarHBondContact O-N 3.43Å
250I92.1Very high92.8Very high9 Ų950.4 Ų50.45%0.04627%0.266CS..THydrogen-bonded Turntrans-54.3-24.7179.5-167.964.3000113.8E244 S248 K252 A253 N254 A351 I353 D355E244-I250 HydrophobicContact CB-CB 4.5Å; E244-I250 WeakPolarHBondContact OE2-CD1 3.45Å; S248-I250 WeakPolarHBondContact OG-CB 3.46Å; S248-I250 WeakPolarHBondContact OG-CG2 3.38Å; S248-I250 PolarHBondContact OG-N 2.99Å; S248-I250 VanDerWaalsContact OG-N 3.13Å; I250-K252 PolarHBondContact O-N 3.46Å; I250-K252 VanDerWaalsContact O-N 3.09Å; I250-A253 HydrophobicContact CD1-CB 3.9Å; I250-A253 WeakPolarHBondContact O-CA 3.29Å; I250-A253 WeakPolarHBondContact O-CB 3.28Å; I250-A253 PolarHBondContact O-N 3.32Å; I250-N254 PolarHBondContact O-N 2.97Å; I250-A351 WeakPolarHBondContact CG2-O 3.3Å; I250-I353 WeakPolarHBondContact CG1-O 3.5Å; I250-D355 HydrophobicContact CD1-CB 4.41Å
251I93.3Very high92.6Very high66 Ų6652.3 Ų52.334%0.33828%0.277SS..Hα-helixtrans-48.5-39.6173.1-64.6168.9000111.6L33 G249 N254 I255 A351L33-I251 HydrophobicContact CD2-CG2 3.96Å; G249-I251 PolarHBondContact O-N 3.12Å; I251-N254 PolarHBondContact O-N 3.11Å; I251-I255 WeakPolarHBondContact O-CB 3.19Å; I251-I255 PolarHBondContact O-N 2.95Å; I251-A351 HydrophobicContact CD1-CB 3.88Å; I251-A351 HydrophobicContact CG1-CB 3.68Å
252K92Very high92.2Very high179 Ų17950.5 Ų50.578%0.77828%0.284SS*.Hα-helixtrans-66.9-36.5179.3-67.8-177.2-1791780112.4G249 I250 N254 I255G249-K252 PolarHBondContact O-N 3.43Å; I250-K252 PolarHBondContact O-N 3.46Å; I250-K252 VanDerWaalsContact O-N 3.09Å; K252-N254 VanDerWaalsContact C-N 3.32Å; K252-I255 WeakPolarHBondContact O-CG2 3.45Å
253A90.9Very high91.7Very high43 Ų4352.2 Ų52.236%0.35530%0.302SS..Hα-helixtrans-73.8-27.3177.200000112.2I250 K258 D355I250-A253 HydrophobicContact CD1-CB 3.9Å; I250-A253 WeakPolarHBondContact O-CA 3.29Å; I250-A253 WeakPolarHBondContact O-CB 3.28Å; I250-A253 PolarHBondContact O-N 3.32Å; A253-K258 PolarHBondContact O-NZ 3.33Å; A253-D355 HydrophobicContact CB-CB 4.24Å
254N94.8Very high91.4Very high2 Ų252.8 Ų52.81%0.01131%0.305CS..Hα-helixtrans-91.9-4.3-180-76.4-25000114.2G32 L33 I250 I251 K252 F256 G350 I353 D355 L358G32-N254 CarbonylContact C-O 3.42Å; G32-N254 WeakPolarHBondContact CA-O 3.49Å; L33-N254 PolarHBondContact N-O 2.86Å; I250-N254 PolarHBondContact O-N 2.97Å; I251-N254 PolarHBondContact O-N 3.11Å; K252-N254 VanDerWaalsContact C-N 3.32Å; N254-F256 PolarHBondContact O-N 2.85Å; N254-G350 WeakPolarHBondContact CB-O 3.29Å; N254-G350 PolarHBondContact ND2-O 3.03Å; N254-I353 PolarHBondContact ND2-O 3.31Å; N254-D355 WeakPolarHBondContact OD1-CA 3.27Å; N254-D355 WeakPolarHBondContact OD1-CB 3.31Å; N254-L358 WeakPolarHBondContact ND2-CD1 3.43Å
255I94.6Very high91Very high62 Ų6251.3 Ų51.332%0.31830%0.298SS..SBendtrans-70.6-35.4-168.2-160168.1000114L34 I251 K252L34-I255 PolarHBondContact N-O 3.49Å; I251-I255 WeakPolarHBondContact O-CB 3.19Å; I251-I255 PolarHBondContact O-N 2.95Å; K252-I255 WeakPolarHBondContact O-CG2 3.45Å
256F93.5Very high90.8Very high142 Ų14251.4 Ų51.462%0.62330%0.299SS*.SBendtrans-106.3152.4-172.7-69-60.9000112.3N254N254-F256 PolarHBondContact O-N 2.85Å
257P93.2Very high90.6Very high45 Ų4551 Ų5129%0.29230%0.295SS..  trans-65.6148179.827.7-37000112.9A31 Y259A31-P257 VanDerWaalsContact O-CA 3.28Å; A31-P257 WeakPolarHBondContact O-CA 3.33Å; A31-P257 WeakPolarHBondContact O-CB 3.41Å; P257-Y259 HydrophobicContact CB-CD2 3.87Å; P257-Y259 HydrophobicContact CB-CE2 3.48Å; P257-Y259 VanDerWaalsContact CB-CE2 3.48Å; P257-Y259 HydrophobicContact CG-CE2 4.13Å
258K92.3Very high90.3Very high33 Ų3347.9 Ų47.914%0.14328%0.278CS..  trans-133.365.3176.5-69.8176.4-169.7155.80108.6T30 A253 L270 D355T30-K258 CarbonylContact O-C 3.46Å; T30-K258 PolarHBondContact O-N 2.83Å; A253-K258 PolarHBondContact O-NZ 3.33Å; K258-L270 HydrophobicContact CB-CD1 3.56Å; K258-L270 HydrophobicContact CG-CD1 3.96Å; K258-D355 IonicContact NZ-OD2 3.74Å; K258-D355 PolarHBondContact NZ-OD2 3.03Å
259Y92.1Very high89.7Confident60 Ų6049.8 Ų49.824%0.23528%0.283CS..  trans-67.1139-179.6-68-52.4000112E35 P257 T294 S295 F296 L299E35-Y259 PolarHBondContact OE2-OH 2.91Å; P257-Y259 HydrophobicContact CB-CD2 3.87Å; P257-Y259 HydrophobicContact CB-CE2 3.48Å; P257-Y259 VanDerWaalsContact CB-CE2 3.48Å; P257-Y259 HydrophobicContact CG-CE2 4.13Å; Y259-T294 WeakPolarHBondContact CB-O 3.3Å; Y259-T294 WeakPolarHBondContact CD1-O 3.45Å; Y259-S295 VanDerWaalsContact CE1-C 3.48Å; Y259-F296 VanDerWaalsContact CZ-N 3.32Å; Y259-F296 VanDerWaalsContact OH-CA 3.28Å; Y259-F296 WeakPolarHBondContact OH-CA 3.12Å; Y259-F296 WeakPolarHBondContact OH-CB 3.41Å; Y259-F296 PolarHBondContact OH-N 2.97Å; Y259-L299 HydrophobicContact CE1-CD1 3.76Å
260L89.6Confident88.5Confident8 Ų851.3 Ų51.34%0.04228%0.282CS..  trans-123.9143.7-175.7-62172.4000109.9D264 I266 L270 A290 A293 T294L260-D264 HydrophobicContact CB-CB 4.29Å; L260-D264 HydrophobicContact CD2-CB 4.2Å; L260-I266 HydrophobicContact CD1-CG1 4.24Å; L260-L270 HydrophobicContact CD2-CD1 4.27Å; L260-L270 HydrophobicContact CD2-CD2 4.46Å; L260-A290 HydrophobicContact CB-CB 3.87Å; L260-A290 HydrophobicContact CD1-CB 3.98Å; L260-A293 CarbonylContact O-C 3.59Å; L260-A293 WeakPolarHBondContact O-CA 3.32Å; L260-T294 PolarHBondContact N-OG1 2.78Å; L260-T294 PolarHBondContact O-N 3.06Å; L260-T294 PolarHBondContact O-OG1 3.29Å
261D88.6Confident86.8Confident85 Ų8553.7 Ų53.746%0.45530%0.3SS..  trans-83.4160.1167.5-62.5-58.4000109.8G263 D264 K275D261-G263 PolarHBondContact O-N 3.43Å; D261-D264 WeakPolarHBondContact CB-OD2 3.27Å; D261-D264 PolarHBondContact N-OD2 3.46Å; D261-D264 WeakPolarHBondContact O-CB 3.23Å; D261-D264 PolarHBondContact O-N 3.05Å; D261-D264 VanDerWaalsContact O-N 3.13Å; D261-K275 IonicContact OD2-NZ 3.74Å; D261-K275 PolarHBondContact OD2-NZ 3.45Å
262A85.7Confident84.7Confident66 Ų6657.7 Ų57.755%0.54532%0.321SS..THydrogen-bonded Turntrans-64.3128.7177.800000110.3
263G84.8Confident82.6Confident36 Ų3658.2 Ų58.237%0.37133%0.326SS..THydrogen-bonded Turntrans89.2-6.1-175.400000114.8D261 I265 A290D261-G263 PolarHBondContact O-N 3.43Å; G263-I265 PolarHBondContact O-N 3.45Å; G263-A290 PolarHBondContact N-O 3.31Å
264D87.3Confident80.6Confident15 Ų1560.1 Ų60.18%0.0833%0.327CS..  trans-65.1135.1175.9-78.9-11.4000110.9L260 D261 K275 N279 T289 A290L260-D264 HydrophobicContact CB-CB 4.29Å; L260-D264 HydrophobicContact CD2-CB 4.2Å; D261-D264 WeakPolarHBondContact CB-OD2 3.27Å; D261-D264 PolarHBondContact N-OD2 3.46Å; D261-D264 WeakPolarHBondContact O-CB 3.23Å; D261-D264 PolarHBondContact O-N 3.05Å; D261-D264 VanDerWaalsContact O-N 3.13Å; D264-K275 IonicContact OD2-NZ 3.14Å; D264-N279 PolarHBondContact OD1-ND2 3.07Å; D264-T289 CarbonylContact O-C 3.36Å; D264-T289 WeakPolarHBondContact O-CA 3.45Å; D264-A290 PolarHBondContact O-N 2.96Å
265I87.5Confident78.4Confident15 Ų1564 Ų648%0.07734%0.344CS..BIsolated β-bridgetrans-71.1136174.9-60.1168.4000109.7R187 G263 S267 A284 F287 T289R187-I265 HydrophobicContact CB-CG2 4.15Å; R187-I265 HydrophobicContact CG-CG2 3.91Å; G263-I265 PolarHBondContact O-N 3.45Å; I265-S267 PolarHBondContact O-N 3.1Å; I265-A284 HydrophobicContact CD1-CB 4.42Å; I265-F287 HydrophobicContact CD1-CB 4.46Å; I265-F287 HydrophobicContact CD1-CD2 4.34Å; I265-F287 HydrophobicContact CG1-CB 4.42Å; I265-F287 HydrophobicContact CG2-CB 3.64Å; I265-F287 HydrophobicContact CG2-CG 4.21Å; I265-T289 HydrophobicContact CG1-CG2 3.97Å
266I89.1Confident76.2Confident3 Ų364.3 Ų64.32%0.01536%0.363CS..  trans-73114.3176.3-56.8-177.4000109.3V188 L260 V288 V356 R359V188-I266 HydrophobicContact CG2-CG2 4.4Å; V188-I266 PolarHBondContact N-O 2.82Å; L260-I266 HydrophobicContact CD1-CG1 4.24Å; I266-V288 HydrophobicContact CD1-CB 4.34Å; I266-V288 HydrophobicContact CD1-CG1 3.63Å; I266-V288 HydrophobicContact CG1-CG1 4.33Å; I266-V288 PolarHBondContact N-O 3.11Å; I266-V356 HydrophobicContact CG2-CG1 3.83Å; I266-R359 HydrophobicContact CD1-CB 4.39Å; I266-R359 VanDerWaalsContact CD1-O 3.29Å; I266-R359 WeakPolarHBondContact CD1-O 3.43Å; I266-R359 HydrophobicContact CG2-CB 3.96Å
267S88.3Confident74.1Confident17 Ų1767.6 Ų67.612%0.11937%0.372CS..BIsolated β-bridgetrans-129.6156.2178.170.20000114.1D186 I265 N269 R359D186-S267 CarbonylContact O-C 3.3Å; D186-S267 WeakPolarHBondContact O-CA 3.49Å; D186-S267 WeakPolarHBondContact O-CB 3.29Å; I265-S267 PolarHBondContact O-N 3.1Å; S267-N269 PolarHBondContact OG-O 3.43Å; S267-R359 PolarHBondContact O-NH1 2.87Å; S267-R359 PolarHBondContact O-NH2 2.81Å
268A85.5Confident72.1Confident24 Ų2467.6 Ų67.620%0.19837%0.37CS..SBendtrans-64-45.3174.800000112.3M183 D186 V356M183-A268 HydrophobicContact CE-CB 4.14Å; D186-A268 HydrophobicContact CB-CB 4.15Å; D186-A268 PolarHBondContact O-N 2.77Å; A268-V356 HydrophobicContact CB-CG2 3.94Å
269N78.1Confident70.2Confident98 Ų9868.8 Ų68.852%0.52438%0.378SS..  trans-102.8117.8178.6-69.9-36.8000111D186 S267 S271D186-N269 PolarHBondContact OD2-ND2 3.24Å; S267-N269 PolarHBondContact OG-O 3.43Å; N269-S271 PolarHBondContact O-N 2.89Å; N269-S271 VanDerWaalsContact O-N 3.15Å
270L66.2Low68.2Low69 Ų6975.5 Ų75.536%0.36141%0.408SS..  trans-8656.1173.8-114.5143.5000109.8K258 L260 I272K258-L270 HydrophobicContact CB-CD1 3.56Å; K258-L270 HydrophobicContact CG-CD1 3.96Å; L260-L270 HydrophobicContact CD2-CD1 4.27Å; L260-L270 HydrophobicContact CD2-CD2 4.46Å; L270-I272 PolarHBondContact O-N 3.22Å
271S55.1Low66.5Low60 Ų6077.9 Ų77.942%0.4243%0.426SS..  trans-72.4120.7173.948.80000109.8N269 E273 E274N269-S271 PolarHBondContact O-N 2.89Å; N269-S271 VanDerWaalsContact O-N 3.15Å; S271-E273 PolarHBondContact O-N 2.93Å; S271-E274 PolarHBondContact O-N 2.83Å
272I50.1Low64.9Low150 Ų15081.8 Ų81.877%0.76944%0.441SS*.G310 helixtrans-53.8-25.4-177.4-63.3169.5000112.5L270 E274L270-I272 PolarHBondContact O-N 3.22Å; I272-E274 PolarHBondContact O-N 3.43Å
273E47.3Very low63.5Low190 Ų19079.4 Ų79.489%0.88842%0.422SS*.G310 helixtrans-73.6-19.2-174.6-64.1-175.1163.500114.8S271S271-E273 PolarHBondContact O-N 2.93Å
274E48.5Very low62.4Low82 Ų8278.6 Ų78.638%0.38341%0.411SS..G310 helixtrans-93.9-7.4-179.3-73.7-166.4176.500114.6R187 S271 I272 G276R187-E274 IonicContact CZ-OE2 3.14Å; R187-E274 IonicContact NH2-OE2 3.18Å; R187-E274 PolarHBondContact NH2-OE2 2.96Å; S271-E274 PolarHBondContact O-N 2.83Å; I272-E274 PolarHBondContact O-N 3.43Å; E274-G276 PolarHBondContact O-N 3.3Å
275K49.9Very low61.7Low83 Ų8383.5 Ų83.536%0.36143%0.434SS..THydrogen-bonded Turntrans-60.2-19.5-173.3-79.3-163.9165.3-150.40115.6D261 D264D261-K275 IonicContact OD2-NZ 3.74Å; D261-K275 PolarHBondContact OD2-NZ 3.45Å; D264-K275 IonicContact OD2-NZ 3.14Å
276G48.3Very low61.6Low69 Ų6984 Ų8471%0.71144%0.438SS*.THydrogen-bonded Turntrans-108.9-26.8-166.500000117.1E274E274-G276 PolarHBondContact O-N 3.3Å
277Y48.1Very low61.6Low211 Ų21184 Ų8483%0.82744%0.438SS*.THydrogen-bonded Turntrans-97.3-34.5-165.1-156.6-97.6000113.6
278D52.3Low61.7Low46 Ų4683.6 Ų83.625%0.24644%0.435CS..SBendtrans-97.4-20.8-170.7-81.9-5.7000115.2R187 K280 S281R187-D278 IonicContact CZ-OD2 3.91Å; R187-D278 IonicContact NH1-OD2 2.91Å; R187-D278 PolarHBondContact NH1-OD2 3.3Å; R187-D278 IonicContact NH2-OD2 2.92Å; R187-D278 PolarHBondContact NH2-OD2 2.97Å; D278-K280 PolarHBondContact O-N 2.9Å; D278-S281 PolarHBondContact O-N 3.41Å
279N51.5Low61.9Low58 Ų5885.3 Ų85.331%0.3144%0.443SS..THydrogen-bonded Turntrans-66.5-9.5-174.9-71.41.2000114.3D264D264-N279 PolarHBondContact OD1-ND2 3.07Å
280K51Low62.4Low200 Ų20081.2 Ų81.287%0.8742%0.423SS*.THydrogen-bonded Turntrans-100.3-3.3179.5-72.8-176.2178.6175.70114.4D278D278-K280 PolarHBondContact O-N 2.9Å
281S52.7Low63.2Low59 Ų5981.4 Ų81.441%0.41342%0.424SS..SBendtrans-78.9146.6178.3-174.10000110.6D278 A283 A284D278-S281 PolarHBondContact O-N 3.41Å; S281-A283 PolarHBondContact O-N 2.68Å; S281-A283 VanDerWaalsContact OG-CB 3.31Å; S281-A283 WeakPolarHBondContact OG-CB 3.5Å; S281-A283 PolarHBondContact OG-N 3.17Å; S281-A284 WeakPolarHBondContact O-CB 3.28Å; S281-A284 PolarHBondContact O-N 3.25Å
282E56.5Low64.7Low167 Ų16779.7 Ų79.778%0.7841%0.41SS*.G310 helixtrans-49.2-24.1162.7-74.3177.1164.600111.2A284 E285E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.07Å; E282-E285 VanDerWaalsContact O-CB 3.28Å; E282-E285 WeakPolarHBondContact O-CB 3.38Å; E282-E285 PolarHBondContact O-N 3.22Å
283A54.7Low66.5Low16 Ų1674.3 Ų74.313%0.13239%0.388CS..G310 helixtrans-63.6-23.3174.900000115.8D225 S281 E285 S286 F287D225-A283 HydrophobicContact CB-CB 4.21Å; D225-A283 WeakPolarHBondContact OD2-CB 3.47Å; S281-A283 PolarHBondContact O-N 2.68Å; S281-A283 VanDerWaalsContact OG-CB 3.31Å; S281-A283 WeakPolarHBondContact OG-CB 3.5Å; S281-A283 PolarHBondContact OG-N 3.17Å; A283-E285 PolarHBondContact O-N 3Å; A283-S286 PolarHBondContact O-N 3.27Å; A283-F287 WeakPolarHBondContact O-CD2 3.28Å
284A61.7Low68.5Low18 Ų1865.8 Ų65.815%0.14935%0.349CS..G310 helixtrans-63.2-22.4175.300000111.7I265 S281 E282 S286 F287I265-A284 HydrophobicContact CD1-CB 4.42Å; S281-A284 WeakPolarHBondContact O-CB 3.28Å; S281-A284 PolarHBondContact O-N 3.25Å; E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.07Å; A284-S286 VanDerWaalsContact C-N 3.29Å; A284-S286 PolarHBondContact O-N 3.32Å; A284-F287 PolarHBondContact O-N 3Å
285E73Confident70.6Confident119 Ų11963.4 Ų63.456%0.55634%0.341SS*.G310 helixtrans-71.3-17179.8-71.2-157.5-167.700115.3K193 E282 A283K193-E285 PolarHBondContact NZ-O 3.21Å; K193-E285 IonicContact NZ-OE2 3.77Å; K193-E285 PolarHBondContact NZ-OE2 2.86Å; E282-E285 VanDerWaalsContact O-CB 3.28Å; E282-E285 WeakPolarHBondContact O-CB 3.38Å; E282-E285 PolarHBondContact O-N 3.22Å; A283-E285 PolarHBondContact O-N 3Å
286S85.1Confident72.6Confident24 Ų2462.1 Ų62.117%0.16834%0.336CS..G310 helixtrans-97.2-1.2-179.3-60.70000113D190 L213 Y214 A283 A284D190-S286 PolarHBondContact N-O 2.81Å; L213-S286 PolarHBondContact O-OG 3.32Å; Y214-S286 VanDerWaalsContact CE1-CB 3.42Å; Y214-S286 PolarHBondContact OH-O 2.87Å; A283-S286 PolarHBondContact O-N 3.27Å; A284-S286 VanDerWaalsContact C-N 3.29Å; A284-S286 PolarHBondContact O-N 3.32Å
287F89.8Confident74.6Confident3 Ų361.5 Ų61.51%0.01332%0.318CS..BIsolated β-bridgetrans-115.4153.9176.8-64.3-75.6000111.2V184 R187 V188 Y214 Y227 I265 A283 A284 T289V184-F287 HydrophobicContact CB-CE1 4.16Å; V184-F287 HydrophobicContact CG1-CE1 4.38Å; R187-F287 HydrophobicContact CB-CD1 3.56Å; R187-F287 HydrophobicContact CB-CE1 3.65Å; R187-F287 HydrophobicContact CB-CG 4.3Å; R187-F287 HydrophobicContact CB-CZ 4.45Å; V188-F287 WeakPolarHBondContact O-CA 3.08Å; V188-F287 WeakPolarHBondContact O-CD1 3.15Å; Y214-F287 HydrophobicContact CD1-CE2 4.29Å; Y214-F287 HydrophobicContact CD1-CZ 4.16Å; Y214-F287 HydrophobicContact CE1-CD1 4.24Å; Y214-F287 HydrophobicContact CE1-CD2 4.13Å; Y214-F287 AromaticContact CE1-CE1 3.68Å; Y214-F287 HydrophobicContact CE1-CE1 3.68Å; Y214-F287 AromaticContact CE1-CE2 3.54Å; Y214-F287 HydrophobicContact CE1-CE2 3.54Å; Y214-F287 HydrophobicContact CE1-CG 4.44Å; Y214-F287 AromaticContact CE1-CZ 3.28Å; Y214-F287 HydrophobicContact CE1-CZ 3.28Å; Y214-F287 AromaticContact CZ-CE1 3.58Å; Y214-F287 AromaticContact CZ-CZ 3.65Å; Y214-F287 VanDerWaalsContact OH-CD1 3.31Å; Y214-F287 WeakPolarHBondContact OH-CD1 3.46Å; Y214-F287 WeakPolarHBondContact OH-CE1 3.5Å; Y227-F287 HydrophobicContact CD1-CE2 4.48Å; Y227-F287 AromaticContact CD1-CZ 3.83Å; Y227-F287 HydrophobicContact CD1-CZ 3.83Å; Y227-F287 HydrophobicContact CE1-CZ 4.29Å; I265-F287 HydrophobicContact CD1-CB 4.46Å; I265-F287 HydrophobicContact CD1-CD2 4.34Å; I265-F287 HydrophobicContact CG1-CB 4.42Å; I265-F287 HydrophobicContact CG2-CB 3.64Å; I265-F287 HydrophobicContact CG2-CG 4.21Å; A283-F287 WeakPolarHBondContact O-CD2 3.28Å; A284-F287 PolarHBondContact O-N 3Å; F287-T289 PolarHBondContact O-N 3.02Å
288V90.2Very high76.5Confident9 Ų954.2 Ų54.26%0.05529%0.293CS..  trans-70.8127175.4-172.70000109.4V188 D190 I266 A364V188-V288 HydrophobicContact CB-CB 4.35Å; V188-V288 HydrophobicContact CB-CG2 4.12Å; V188-V288 HydrophobicContact CG1-CG2 3.82Å; V188-V288 PolarHBondContact O-N 3.49Å; D190-V288 HydrophobicContact CB-CG2 4.14Å; I266-V288 HydrophobicContact CD1-CB 4.34Å; I266-V288 HydrophobicContact CD1-CG1 3.63Å; I266-V288 HydrophobicContact CG1-CG1 4.33Å; I266-V288 PolarHBondContact N-O 3.11Å; V288-A364 HydrophobicContact CG1-CB 4.3Å; V288-A364 HydrophobicContact CG2-CB 3.88Å
289T89.2Confident78.3Confident61 Ų6152 Ų5237%0.37428%0.281SS..BIsolated β-bridgetrans-115.3155.3-179.653.60000111.8D264 I265 F287D264-T289 CarbonylContact O-C 3.36Å; D264-T289 WeakPolarHBondContact O-CA 3.45Å; I265-T289 HydrophobicContact CG1-CG2 3.97Å; F287-T289 PolarHBondContact O-N 3.02Å
290A88.7Confident80.2Confident11 Ų1149.3 Ų49.39%0.09127%0.267CS..  trans-74.2122.717200000110.1L260 G263 D264 M292L260-A290 HydrophobicContact CB-CB 3.87Å; L260-A290 HydrophobicContact CD1-CB 3.98Å; G263-A290 PolarHBondContact N-O 3.31Å; D264-A290 PolarHBondContact O-N 2.96Å; A290-M292 VanDerWaalsContact C-N 3.34Å
291D83.9Confident81.8Confident74 Ų7440.2 Ų40.240%0.39623%0.23SC..SBendtrans-79.5-19.7-178.766.4-35.2000113.4K361D291-K361 VanDerWaalsContact CG-NZ 3.34Å; D291-K361 WeakPolarHBondContact OD1-CD 3.33Å; D291-K361 IonicContact OD1-NZ 2.92Å; D291-K361 PolarHBondContact OD1-NZ 3.38Å; D291-K361 IonicContact OD2-NZ 2.75Å; D291-K361 PolarHBondContact OD2-NZ 2.92Å
292M85.2Confident83.4Confident24 Ų2438.8 Ų38.812%0.11822%0.219CC..SBendtrans-141.3151.9177.666.7173.1-62.500112.3W26 A290 I298 V302W26-M292 HydrophobicContact CH2-CG 4.13Å; W26-M292 HydrophobicContact CH2-SD 3.71Å; W26-M292 HydrophobicContact CZ2-CG 4.16Å; W26-M292 HydrophobicContact CZ2-SD 4.31Å; A290-M292 VanDerWaalsContact C-N 3.34Å; M292-I298 HydrophobicContact CE-CG2 3.57Å; M292-V302 HydrophobicContact CE-CG2 3.81Å; M292-V302 HydrophobicContact SD-CG2 4.4Å
293A88.4Confident84.9Confident37 Ų3731 Ų3131%0.30618%0.183SC..  trans-66.5137.4171.700000110.6L260 I298L260-A293 CarbonylContact O-C 3.59Å; L260-A293 WeakPolarHBondContact O-CA 3.32Å; A293-I298 HydrophobicContact CB-CD1 4.44Å
294T90.2Very high86.6Confident10 Ų1030.3 Ų30.36%0.06118%0.177CC..  trans-118.8133.8-178.6530000110.4W26 T30 Y259 L260 L299W26-T294 HydrophobicContact CH2-CG2 3.71Å; W26-T294 HydrophobicContact CZ2-CG2 3.45Å; W26-T294 VanDerWaalsContact CZ2-CG2 3.45Å; T30-T294 HydrophobicContact CG2-CG2 4.27Å; Y259-T294 WeakPolarHBondContact CB-O 3.3Å; Y259-T294 WeakPolarHBondContact CD1-O 3.45Å; L260-T294 PolarHBondContact N-OG1 2.78Å; L260-T294 PolarHBondContact O-N 3.06Å; L260-T294 PolarHBondContact O-OG1 3.29Å; T294-L299 HydrophobicContact CG2-CD2 4.27Å
295S91.8Very high87.8Confident33 Ų3329.6 Ų29.623%0.23117%0.17CC..  trans-154.1162.6172.759.80000108.2Y259 T297 I298 L299Y259-S295 VanDerWaalsContact CE1-C 3.48Å; S295-T297 PolarHBondContact O-N 3.33Å; S295-T297 VanDerWaalsContact O-N 3.16Å; S295-T297 PolarHBondContact OG-OG1 3.13Å; S295-T297 VanDerWaalsContact OG-OG1 3.13Å; S295-I298 PolarHBondContact O-N 3.06Å; S295-I298 VanDerWaalsContact O-N 3.14Å; S295-I298 WeakPolarHBondContact OG-CD1 3.34Å; S295-I298 VanDerWaalsContact OG-CG1 3.23Å; S295-I298 WeakPolarHBondContact OG-CG1 3.3Å; S295-I298 PolarHBondContact OG-N 3.29Å; S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 WeakPolarHBondContact O-CG 3.31Å; S295-L299 PolarHBondContact O-N 2.98Å
296F91.8Very high88.5Confident55 Ų5524 Ų2424%0.24114%0.144CC..Hα-helixtrans-49.2-44.9179-179.6-95.8000112.4E35 L38 I39 I42 Y259 I300E35-F296 HydrophobicContact CB-CD2 4.26Å; E35-F296 HydrophobicContact CB-CE2 4.45Å; L38-F296 HydrophobicContact CD2-CE2 4.14Å; L38-F296 HydrophobicContact CD2-CZ 4.18Å; I39-F296 HydrophobicContact CD1-CD2 3.88Å; I39-F296 HydrophobicContact CD1-CE2 4.11Å; I39-F296 HydrophobicContact CG1-CD2 3.84Å; I39-F296 HydrophobicContact CG1-CE2 3.54Å; I39-F296 HydrophobicContact CG1-CZ 4.15Å; I42-F296 HydrophobicContact CD1-CZ 4.21Å; Y259-F296 VanDerWaalsContact CZ-N 3.32Å; Y259-F296 VanDerWaalsContact OH-CA 3.28Å; Y259-F296 WeakPolarHBondContact OH-CA 3.12Å; Y259-F296 WeakPolarHBondContact OH-CB 3.41Å; Y259-F296 PolarHBondContact OH-N 2.97Å; F296-I300 HydrophobicContact CD1-CD1 3.97Å; F296-I300 HydrophobicContact CE1-CD1 3.46Å; F296-I300 VanDerWaalsContact CE1-CD1 3.46Å; F296-I300 HydrophobicContact CE1-CG1 4.49Å; F296-I300 HydrophobicContact CZ-CD1 3.94Å; F296-I300 WeakPolarHBondContact O-CG1 3.48Å; F296-I300 PolarHBondContact O-N 3.15Å
297T90Very high88.9Confident57 Ų5722.9 Ų22.935%0.3514%0.137SC..Hα-helixtrans-68.3-45.9-179.943.90000112.9S295 L299 I300 G301 M508S295-T297 PolarHBondContact O-N 3.33Å; S295-T297 VanDerWaalsContact O-N 3.16Å; S295-T297 PolarHBondContact OG-OG1 3.13Å; S295-T297 VanDerWaalsContact OG-OG1 3.13Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.49Å; T297-I300 PolarHBondContact O-N 3.39Å; T297-G301 PolarHBondContact O-N 3.4Å; T297-M508 WeakPolarHBondContact CB-O 3.26Å; T297-M508 WeakPolarHBondContact CG2-O 3.48Å
298I87.8Confident88.9Confident57 Ų5722.9 Ų22.929%0.29214%0.136SC..Hα-helixtrans-62.6-42.9177.8-67.3170.7000110.2M292 A293 S295 I300 G301 V302M292-I298 HydrophobicContact CE-CG2 3.57Å; A293-I298 HydrophobicContact CB-CD1 4.44Å; S295-I298 PolarHBondContact O-N 3.06Å; S295-I298 VanDerWaalsContact O-N 3.14Å; S295-I298 WeakPolarHBondContact OG-CD1 3.34Å; S295-I298 VanDerWaalsContact OG-CG1 3.23Å; S295-I298 WeakPolarHBondContact OG-CG1 3.3Å; S295-I298 PolarHBondContact OG-N 3.29Å; I298-I300 VanDerWaalsContact C-N 3.35Å; I298-I300 PolarHBondContact O-N 3.48Å; I298-G301 CarbonylContact O-C 3.49Å; I298-G301 WeakPolarHBondContact O-CA 3Å; I298-G301 PolarHBondContact O-N 3.1Å; I298-V302 HydrophobicContact CG2-CG2 4.14Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 3.11Å
299L91Very high88.9Confident1 Ų122.4 Ų22.41%0.00513%0.134CC..Hα-helixtrans-66.7-32.9-178.9-68.9-177.2000113W26 M27 A31 I39 Y259 T294 S295 T297 G301 V302 F303W26-L299 HydrophobicContact CH2-CD2 3.74Å; W26-L299 HydrophobicContact CZ3-CD2 3.66Å; M27-L299 HydrophobicContact CG-CB 4.43Å; M27-L299 HydrophobicContact CG-CD1 4.14Å; M27-L299 HydrophobicContact CG-CD2 4.38Å; A31-L299 HydrophobicContact CB-CD1 3.68Å; I39-L299 HydrophobicContact CD1-CB 3.88Å; I39-L299 HydrophobicContact CD1-CD1 4.42Å; Y259-L299 HydrophobicContact CE1-CD1 3.76Å; T294-L299 HydrophobicContact CG2-CD2 4.27Å; S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 WeakPolarHBondContact O-CG 3.31Å; S295-L299 PolarHBondContact O-N 2.98Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.49Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 3.19Å; L299-V302 PolarHBondContact O-N 3.49Å; L299-F303 VanDerWaalsContact O-CB 3.26Å; L299-F303 WeakPolarHBondContact O-CB 3.27Å; L299-F303 PolarHBondContact O-N 3.38Å
300I90.5Very high89.2Confident0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-56.9-46.5167.3-71.5171.1000110.2I39 F296 T297 I298 F303 F304 V505I39-I300 HydrophobicContact CB-CG1 4.38Å; I39-I300 HydrophobicContact CG1-CG1 3.99Å; I39-I300 HydrophobicContact CG2-CG1 3.92Å; F296-I300 HydrophobicContact CD1-CD1 3.97Å; F296-I300 HydrophobicContact CE1-CD1 3.46Å; F296-I300 VanDerWaalsContact CE1-CD1 3.46Å; F296-I300 HydrophobicContact CE1-CG1 4.49Å; F296-I300 HydrophobicContact CZ-CD1 3.94Å; F296-I300 WeakPolarHBondContact O-CG1 3.48Å; F296-I300 PolarHBondContact O-N 3.15Å; T297-I300 PolarHBondContact O-N 3.39Å; I298-I300 VanDerWaalsContact C-N 3.35Å; I298-I300 PolarHBondContact O-N 3.48Å; I300-F303 PolarHBondContact O-N 3.01Å; I300-F304 VanDerWaalsContact O-CB 3.23Å; I300-F304 WeakPolarHBondContact O-CB 3.18Å; I300-F304 PolarHBondContact O-N 2.88Å; I300-V505 HydrophobicContact CG2-CG1 3.8Å
301G86.1Confident89.4Confident10 Ų1019.1 Ų19.110%0.10311%0.112CC..Hα-helixtrans-64.6-38.8179.300000114.1T297 I298 L299 P305T297-G301 PolarHBondContact O-N 3.4Å; I298-G301 CarbonylContact O-C 3.49Å; I298-G301 WeakPolarHBondContact O-CA 3Å; I298-G301 PolarHBondContact O-N 3.1Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 3.19Å; G301-P305 WeakPolarHBondContact O-CD 3.41Å
302V85.5Confident89.9Confident29 Ų2915.6 Ų15.618%0.1769%0.094CC..Hα-helixtrans-71.2-37.9177.5174.90000111.3W26 M292 I298 L299W26-V302 HydrophobicContact CZ3-CG1 4.2Å; M292-V302 HydrophobicContact CE-CG2 3.81Å; M292-V302 HydrophobicContact SD-CG2 4.4Å; I298-V302 HydrophobicContact CG2-CG2 4.14Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 3.11Å; L299-V302 PolarHBondContact O-N 3.49Å
303F89.2Confident90.2Very high4 Ų414.5 Ų14.52%0.0189%0.088CC..Hα-helixtrans-81.1-36.9-177.8-173.6-114.6000113.4L24 M27 I39 T40 C43 L299 I300 P305 S306 V307 Y342L24-F303 HydrophobicContact CD1-CE2 3.88Å; L24-F303 HydrophobicContact CD1-CZ 4.43Å; M27-F303 HydrophobicContact CE-CB 3.59Å; M27-F303 HydrophobicContact CE-CD1 4.12Å; M27-F303 HydrophobicContact CE-CD2 2.98Å; M27-F303 HydrophobicContact CE-CE2 3.58Å; M27-F303 HydrophobicContact CE-CG 3.27Å; M27-F303 HydrophobicContact CE-CZ 4.36Å; I39-F303 HydrophobicContact CG2-CB 4.24Å; I39-F303 HydrophobicContact CG2-CD1 4.36Å; T40-F303 HydrophobicContact CG2-CE1 3.81Å; T40-F303 HydrophobicContact CG2-CZ 3.83Å; C43-F303 HydrophobicContact CB-CD1 3.91Å; C43-F303 HydrophobicContact CB-CE1 4.08Å; L299-F303 VanDerWaalsContact O-CB 3.26Å; L299-F303 WeakPolarHBondContact O-CB 3.27Å; L299-F303 PolarHBondContact O-N 3.38Å; I300-F303 PolarHBondContact O-N 3.01Å; F303-P305 VanDerWaalsContact C-N 3.32Å; F303-P305 VanDerWaalsContact O-N 3.14Å; F303-S306 WeakPolarHBondContact CD2-OG 3.39Å; F303-S306 VanDerWaalsContact CE2-OG 3.22Å; F303-S306 WeakPolarHBondContact CE2-OG 3.38Å; F303-S306 VanDerWaalsContact CZ-OG 3.31Å; F303-S306 WeakPolarHBondContact CZ-OG 3.3Å; F303-S306 WeakPolarHBondContact O-CB 3.2Å; F303-S306 PolarHBondContact O-N 3.33Å; F303-S306 PolarHBondContact O-OG 3.13Å; F303-V307 HydrophobicContact CE1-CG1 4.3Å; F303-Y342 AromaticContact CE2-CD1 3.74Å; F303-Y342 HydrophobicContact CE2-CD1 3.74Å; F303-Y342 AromaticContact CE2-CE1 3.78Å; F303-Y342 HydrophobicContact CE2-CE1 3.78Å; F303-Y342 AromaticContact CZ-CD1 3.56Å; F303-Y342 HydrophobicContact CZ-CD1 3.56Å; F303-Y342 AromaticContact CZ-CE1 3.94Å; F303-Y342 HydrophobicContact CZ-CE1 3.94Å; F303-Y342 HydrophobicContact CZ-CG 4.05Å
304F89.7Confident90.4Very high1 Ų112.7 Ų12.70%0.0047%0.073CC..G310 helixtrans-51.3-39.6-172.2-172.2-97000115.1C43 V46 I300 S306 V307 T308 F461 L462 Y465 V505C43-F304 HydrophobicContact CB-CD2 4.1Å; V46-F304 HydrophobicContact CB-CE2 4.02Å; V46-F304 HydrophobicContact CG1-CE2 3.74Å; V46-F304 HydrophobicContact CG1-CZ 3.93Å; V46-F304 HydrophobicContact CG2-CE2 4.39Å; I300-F304 VanDerWaalsContact O-CB 3.23Å; I300-F304 WeakPolarHBondContact O-CB 3.18Å; I300-F304 PolarHBondContact O-N 2.88Å; F304-S306 PolarHBondContact O-N 3.01Å; F304-V307 HydrophobicContact CD2-CG2 4.07Å; F304-V307 HydrophobicContact CE2-CG2 4.16Å; F304-V307 WeakPolarHBondContact O-CG2 3.33Å; F304-V307 PolarHBondContact O-N 2.93Å; F304-T308 HydrophobicContact CD1-CG2 3.87Å; F304-T308 HydrophobicContact CE1-CG2 3.64Å; F304-T308 HydrophobicContact CZ-CG2 4.46Å; F304-F461 HydrophobicContact CE1-CB 4.49Å; F304-L462 HydrophobicContact CD1-CD1 4.25Å; F304-L462 HydrophobicContact CD1-CD2 4.5Å; F304-L462 HydrophobicContact CD1-CG 4.16Å; F304-L462 HydrophobicContact CE1-CD1 4.08Å; F304-L462 HydrophobicContact CE1-CD2 3.69Å; F304-L462 HydrophobicContact CE1-CG 3.5Å; F304-L462 VanDerWaalsContact CE1-CG 3.5Å; F304-L462 HydrophobicContact CE2-CD2 3.75Å; F304-L462 HydrophobicContact CE2-CG 4.42Å; F304-L462 HydrophobicContact CZ-CD1 4.4Å; F304-L462 HydrophobicContact CZ-CD2 3.24Å; F304-L462 HydrophobicContact CZ-CG 3.66Å; F304-Y465 HydrophobicContact CE1-CE2 4.21Å; F304-Y465 AromaticContact CZ-CD2 3.96Å; F304-Y465 HydrophobicContact CZ-CD2 3.96Å; F304-Y465 AromaticContact CZ-CE2 3.8Å; F304-Y465 HydrophobicContact CZ-CE2 3.8Å; F304-V505 HydrophobicContact CD2-CG1 4.19Å; F304-V505 HydrophobicContact CE2-CG1 4.49Å
305P87.3Confident90.5Very high2 Ų212.4 Ų12.41%0.0137%0.071CC..G310 helixtrans-50.5-31.2174.3-28.834.9000114.1L19 M98 Y99 G301 F303 V307 T308 T454 S458L19-P305 HydrophobicContact CD1-CB 3.76Å; M98-P305 HydrophobicContact CE-CB 4.38Å; M98-P305 HydrophobicContact SD-CB 4.46Å; Y99-P305 PolarHBondContact OH-O 3.38Å; G301-P305 WeakPolarHBondContact O-CD 3.41Å; F303-P305 VanDerWaalsContact C-N 3.32Å; F303-P305 VanDerWaalsContact O-N 3.14Å; P305-V307 PolarHBondContact O-N 3.24Å; P305-T308 PolarHBondContact O-N 2.85Å; P305-T308 PolarHBondContact O-OG1 3.15Å; P305-T454 HydrophobicContact CG-CG2 3.67Å; P305-S458 WeakPolarHBondContact CD-OG 3.34Å; P305-S458 WeakPolarHBondContact CG-OG 3.34Å
306S87.8Confident90.4Very high2 Ų210.8 Ų10.81%0.0146%0.06CC..G310 helixtrans-61.3-27.4-179.272.20000113.8I15 L19 F303 F304I15-S306 WeakPolarHBondContact CA-O 3.06Å; I15-S306 WeakPolarHBondContact CG2-O 3.31Å; I15-S306 VanDerWaalsContact O-O 3.08Å; L19-S306 VanDerWaalsContact CD1-CA 3.48Å; L19-S306 VanDerWaalsContact CD1-N 3.26Å; F303-S306 WeakPolarHBondContact CD2-OG 3.39Å; F303-S306 VanDerWaalsContact CE2-OG 3.22Å; F303-S306 WeakPolarHBondContact CE2-OG 3.38Å; F303-S306 VanDerWaalsContact CZ-OG 3.31Å; F303-S306 WeakPolarHBondContact CZ-OG 3.3Å; F303-S306 WeakPolarHBondContact O-CB 3.2Å; F303-S306 PolarHBondContact O-N 3.33Å; F303-S306 PolarHBondContact O-OG 3.13Å; F304-S306 PolarHBondContact O-N 3.01Å
307V91.9Very high90.4Very high1 Ų18.3 Ų8.31%0.0065%0.05CC..G310 helixtrans-102.1-1.3-177.3-63.50000113.5C43 T47 F303 F304 P305 G309C43-V307 HydrophobicContact CB-CG2 3.88Å; T47-V307 HydrophobicContact CG2-CB 3.9Å; T47-V307 HydrophobicContact CG2-CG2 3.63Å; T47-V307 WeakPolarHBondContact CG2-O 3.25Å; F303-V307 HydrophobicContact CE1-CG1 4.3Å; F304-V307 HydrophobicContact CD2-CG2 4.07Å; F304-V307 HydrophobicContact CE2-CG2 4.16Å; F304-V307 WeakPolarHBondContact O-CG2 3.33Å; F304-V307 PolarHBondContact O-N 2.93Å; P305-V307 PolarHBondContact O-N 3.24Å; V307-G309 VanDerWaalsContact C-N 3.26Å; V307-G309 PolarHBondContact O-N 3.42Å; V307-G309 VanDerWaalsContact O-N 3.17Å
308T90.2Very high90.2Very high2 Ų27.8 Ų7.81%0.0126%0.056CC..G310 helixtrans-72.8-9-170.958.70000115.7F304 P305 I310 F461 Y465F304-T308 HydrophobicContact CD1-CG2 3.87Å; F304-T308 HydrophobicContact CE1-CG2 3.64Å; F304-T308 HydrophobicContact CZ-CG2 4.46Å; P305-T308 PolarHBondContact O-N 2.85Å; P305-T308 PolarHBondContact O-OG1 3.15Å; T308-I310 PolarHBondContact O-N 3.43Å; T308-F461 HydrophobicContact CG2-CB 3.99Å; T308-F461 HydrophobicContact CG2-CD2 3.83Å; T308-F461 HydrophobicContact CG2-CE2 4.45Å; T308-F461 HydrophobicContact CG2-CG 3.9Å; T308-Y465 WeakPolarHBondContact CA-OH 3.38Å; T308-Y465 WeakPolarHBondContact CB-OH 3.49Å; T308-Y465 PolarHBondContact O-OH 2.75Å
309G91.8Very high90.2Very high0 Ų08.1 Ų8.10%06%0.058CC..G310 helixtrans-70.30.8-173.500000116.9N14 V307 M311 Q312N14-G309 WeakPolarHBondContact ND2-CA 3.45Å; V307-G309 VanDerWaalsContact C-N 3.26Å; V307-G309 PolarHBondContact O-N 3.42Å; V307-G309 VanDerWaalsContact O-N 3.17Å; G309-M311 PolarHBondContact O-N 2.96Å; G309-Q312 WeakPolarHBondContact O-CG 3.31Å; G309-Q312 PolarHBondContact O-N 3.48Å
310I94.9Very high90.2Very high1 Ų19 Ų91%0.0056%0.062CC..G310 helixtrans-59.2-23.2-174.559.1165.5000114.8C11 I15 T47 T50 T308 T331 Q335 Y465C11-I310 PolarHBondContact SG-O 3.07Å; C11-I310 VanDerWaalsContact SG-O 3.33Å; I15-I310 HydrophobicContact CD1-CG2 4.03Å; T47-I310 HydrophobicContact CG2-CD1 4.27Å; T50-I310 HydrophobicContact CG2-CD1 3.92Å; T308-I310 PolarHBondContact O-N 3.43Å; I310-T331 HydrophobicContact CB-CG2 4.01Å; I310-T331 VanDerWaalsContact O-CG2 3.28Å; I310-T331 WeakPolarHBondContact O-CG2 3.14Å; I310-T331 PolarHBondContact O-OG1 3.23Å; I310-Q335 HydrophobicContact CG2-CB 4.46Å; I310-Y465 HydrophobicContact CD1-CE1 4.2Å; I310-Y465 HydrophobicContact CD1-CE2 4.42Å; I310-Y465 HydrophobicContact CG1-CE1 4.25Å
311M93.3Very high90.1Very high1 Ų118.3 Ų18.31%0.00510%0.103CC..G310 helixtrans-96.5-5.1-176.6-73.6-177.3178.700114.4T50 L54 P68 F88 G309 G313 S314 N315 Y465 V468T50-M311 HydrophobicContact CG2-CE 4.02Å; L54-M311 HydrophobicContact CD2-CG 4.48Å; P68-M311 HydrophobicContact CB-CE 4.37Å; P68-M311 HydrophobicContact CB-SD 3.76Å; P68-M311 HydrophobicContact CG-CB 3.98Å; P68-M311 HydrophobicContact CG-CE 4.37Å; P68-M311 HydrophobicContact CG-CG 3.87Å; P68-M311 HydrophobicContact CG-SD 3.37Å; P68-M311 WeakPolarHBondContact CG-SD 3.27Å; F88-M311 HydrophobicContact CE1-SD 4.42Å; F88-M311 HydrophobicContact CE2-CB 4.44Å; F88-M311 HydrophobicContact CE2-SD 3.94Å; F88-M311 HydrophobicContact CZ-CB 3.75Å; F88-M311 HydrophobicContact CZ-CG 4.4Å; F88-M311 HydrophobicContact CZ-SD 3.79Å; G309-M311 PolarHBondContact O-N 2.96Å; M311-G313 VanDerWaalsContact C-N 3.27Å; M311-G313 PolarHBondContact O-N 2.93Å; M311-S314 WeakPolarHBondContact CA-OG 3.17Å; M311-S314 WeakPolarHBondContact O-CA 3.41Å; M311-S314 PolarHBondContact O-N 3.1Å; M311-S314 PolarHBondContact O-OG 3.4Å; M311-N315 PolarHBondContact O-N 2.93Å; M311-Y465 HydrophobicContact CE-CD1 3.39Å; M311-Y465 HydrophobicContact CE-CE1 3.6Å; M311-Y465 HydrophobicContact CG-CE1 4.2Å; M311-Y465 HydrophobicContact SD-CD1 3.95Å; M311-Y465 HydrophobicContact SD-CE1 3.6Å; M311-V468 HydrophobicContact CE-CB 4.48Å; M311-V468 HydrophobicContact CE-CG2 3.82Å
312Q93.2Very high90.3Very high1 Ų120.8 Ų20.81%0.00511%0.114CC..THydrogen-bonded Turntrans-61.1-36.7-176.9-65.4-55.1-24.400112.8P10 N14 G309 Q397P10-Q312 HydrophobicContact CB-CB 4.09Å; N14-Q312 HydrophobicContact CB-CG 3.7Å; G309-Q312 WeakPolarHBondContact O-CG 3.31Å; G309-Q312 PolarHBondContact O-N 3.48Å; Q312-Q397 PolarHBondContact OE1-O 3.47Å
313G92.3Very high90.6Very high0 Ų019.8 Ų19.80%011%0.108CC..THydrogen-bonded Turntrans-65.9-3917200000113.5C11 M311 N315 R316C11-G313 PolarHBondContact SG-N 3.27Å; C11-G313 VanDerWaalsContact SG-N 3.42Å; M311-G313 VanDerWaalsContact C-N 3.27Å; M311-G313 PolarHBondContact O-N 2.93Å; G313-N315 PolarHBondContact O-N 2.93Å; G313-R316 PolarHBondContact O-N 3Å
314S92.8Very high90.7Very high0 Ų021.2 Ų21.20%012%0.119CC..G310 helixtrans-70.2-30.3179.771.90000113G67 P68 M311 R316 S317G67-S314 WeakPolarHBondContact CA-O 3.28Å; P68-S314 WeakPolarHBondContact CD-OG 3.45Å; P68-S314 WeakPolarHBondContact CG-OG 3.48Å; M311-S314 WeakPolarHBondContact CA-OG 3.17Å; M311-S314 WeakPolarHBondContact O-CA 3.41Å; M311-S314 PolarHBondContact O-N 3.1Å; M311-S314 PolarHBondContact O-OG 3.4Å; S314-R316 PolarHBondContact O-N 3.08Å; S314-R316 VanDerWaalsContact O-N 3.09Å; S314-S317 WeakPolarHBondContact O-CB 3.23Å; S314-S317 PolarHBondContact O-N 3.03Å; S314-S317 PolarHBondContact O-OG 2.89Å; S314-S317 VanDerWaalsContact O-OG 3.1Å
315N91.9Very high90.8Very high3 Ų329 Ų292%0.01615%0.148CC..G310 helixtrans-62.2-16172.9-71.4-16.8000113P68 F88 M311 G313P68-N315 WeakPolarHBondContact CD-OD1 3.43Å; F88-N315 WeakPolarHBondContact CE1-OD1 3.48Å; M311-N315 PolarHBondContact O-N 2.93Å; G313-N315 PolarHBondContact O-N 2.93Å
316R90.1Very high91.2Very high0 Ų029.1 Ų29.10%015%0.149CC..G310 helixtrans-10313.3177.7-57.6172.9178.9-153.3-9.5112.7P10 N148 G313 S314 G318 N319 L320 Q397 T400P10-R316 VanDerWaalsContact CG-NH1 3.27Å; N148-R316 PolarHBondContact OD1-NH1 3Å; G313-R316 PolarHBondContact O-N 3Å; S314-R316 PolarHBondContact O-N 3.08Å; S314-R316 VanDerWaalsContact O-N 3.09Å; R316-G318 PolarHBondContact O-N 2.79Å; R316-G318 VanDerWaalsContact O-N 3.11Å; R316-N319 PolarHBondContact O-N 3.31Å; R316-L320 PolarHBondContact O-N 3.28Å; R316-Q397 VanDerWaalsContact CZ-OE1 3.22Å; R316-T400 VanDerWaalsContact NH2-CG2 3.29Å
317S90.5Very high91.5Very high3 Ų329 Ų292%0.02115%0.149CC..G310 helixtrans-49.7-39.4-175.850.90000113.5P64 G67 S314 N319 L320P64-S317 VanDerWaalsContact O-CB 3.27Å; P64-S317 WeakPolarHBondContact O-CB 3.28Å; P64-S317 PolarHBondContact O-OG 2.92Å; G67-S317 PolarHBondContact N-OG 3.46Å; S314-S317 WeakPolarHBondContact O-CB 3.23Å; S314-S317 PolarHBondContact O-N 3.03Å; S314-S317 PolarHBondContact O-OG 2.89Å; S314-S317 VanDerWaalsContact O-OG 3.1Å; S317-N319 PolarHBondContact O-N 3.19Å; S317-L320 PolarHBondContact O-N 3.38Å
318G86.6Confident91.7Very high46 Ų4629.4 Ų29.447%0.47415%0.151SC..G310 helixtrans-64.8-16.6176.800000115.4R316R316-G318 PolarHBondContact O-N 2.79Å; R316-G318 VanDerWaalsContact O-N 3.11Å
319N87.8Confident92Very high64 Ų6433.6 Ų33.634%0.34217%0.172SC..G310 helixtrans-104.1-1.8179.2-62.969.8000112.8M1 R316 S317M1-N319 HydrophobicContact CE-CB 3.62Å; M1-N319 PolarHBondContact N-O 3.11Å; M1-N319 HydrophobicContact SD-CB 4.15Å; R316-N319 PolarHBondContact O-N 3.31Å; S317-N319 PolarHBondContact O-N 3.19Å
320L90.4Very high92.2Very high18 Ų1833.6 Ų33.69%0.09417%0.173CC..  trans-81.9143.2178.5-61.6177.4000110.5M1 V7 R316 S317 D322 A323 I327M1-L320 HydrophobicContact CB-CD2 4.29Å; V7-L320 HydrophobicContact CG2-CD1 3.54Å; V7-L320 HydrophobicContact CG2-CD2 3.79Å; V7-L320 HydrophobicContact CG2-CG 4.35Å; R316-L320 PolarHBondContact O-N 3.28Å; S317-L320 PolarHBondContact O-N 3.38Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-A323 HydrophobicContact CB-CB 4.3Å; L320-A323 HydrophobicContact CD1-CB 4.14Å; L320-I327 HydrophobicContact CD1-CD1 4.44Å; L320-I327 HydrophobicContact CD1-CG1 3.9Å
321K88.3Confident92.3Very high196 Ų19633.6 Ų33.685%0.85217%0.173SC*.SBendtrans-66.1-37.5175.6-173.7178.1179.9179.80111.4M1M1-K321 PolarHBondContact O-N 3.4Å
322D91Very high92.4Very high63 Ų6334.7 Ų34.734%0.33718%0.179SC..  trans-147.3100173.2178.7-5.5000108L320 S324 R325 S326L320-D322 VanDerWaalsContact C-N 3.31Å; D322-S324 VanDerWaalsContact C-N 3.33Å; D322-S324 PolarHBondContact OD1-N 3.11Å; D322-S324 PolarHBondContact OD1-OG 3.49Å; D322-R325 HydrophobicContact CB-CB 4.4Å; D322-R325 PolarHBondContact OD1-N 3.39Å; D322-R325 VanDerWaalsContact OD1-N 3.14Å; D322-R325 VanDerWaalsContact OD2-CB 3.29Å; D322-R325 WeakPolarHBondContact OD2-CB 3.31Å; D322-S326 WeakPolarHBondContact O-CB 3.49Å; D322-S326 PolarHBondContact O-N 3.05Å; D322-S326 PolarHBondContact O-OG 2.89Å
323A91.5Very high92.6Very high7 Ų736.5 Ų36.56%0.05819%0.193CC..Hα-helixtrans-66.4-36.2179.700000111.9V63 L320 R325 S326 I327V63-A323 HydrophobicContact CB-CB 4.06Å; L320-A323 HydrophobicContact CB-CB 4.3Å; L320-A323 HydrophobicContact CD1-CB 4.14Å; A323-R325 VanDerWaalsContact C-N 3.3Å; A323-R325 PolarHBondContact O-N 2.92Å; A323-S326 PolarHBondContact O-N 2.8Å; A323-I327 HydrophobicContact CB-CD1 4Å; A323-I327 WeakPolarHBondContact O-CB 3.38Å; A323-I327 VanDerWaalsContact O-CG1 3.26Å; A323-I327 WeakPolarHBondContact O-CG1 3.23Å; A323-I327 PolarHBondContact O-N 3.34Å
324S91.1Very high92.8Very high34 Ų3436.5 Ų36.524%0.23819%0.193CC..Hα-helixtrans-66-32.5-17673.50000112.8A58 T59 D322 P328A58-S324 VanDerWaalsContact O-CA 3.31Å; A58-S324 WeakPolarHBondContact O-CA 3.46Å; A58-S324 VanDerWaalsContact O-CB 3.3Å; A58-S324 WeakPolarHBondContact O-CB 3.42Å; T59-S324 WeakPolarHBondContact CG2-O 3.11Å; D322-S324 VanDerWaalsContact C-N 3.33Å; D322-S324 PolarHBondContact OD1-N 3.11Å; D322-S324 PolarHBondContact OD1-OG 3.49Å; S324-P328 WeakPolarHBondContact O-CD 3.28Å; S324-P328 VanDerWaalsContact O-CG 3.31Å; S324-P328 WeakPolarHBondContact O-CG 3.34Å
325R92.5Very high92.9Very high165 Ų16536.5 Ų36.562%0.62319%0.193SC*.Hα-helixtrans-88.4-40.4173-177.5178.3175.7-1770.2113D322 A323 I329D322-R325 HydrophobicContact CB-CB 4.4Å; D322-R325 PolarHBondContact OD1-N 3.39Å; D322-R325 VanDerWaalsContact OD1-N 3.14Å; D322-R325 VanDerWaalsContact OD2-CB 3.29Å; D322-R325 WeakPolarHBondContact OD2-CB 3.31Å; A323-R325 VanDerWaalsContact C-N 3.3Å; A323-R325 PolarHBondContact O-N 2.92Å; R325-I329 HydrophobicContact CG-CD1 3.84Å; R325-I329 WeakPolarHBondContact O-CG1 3.49Å
326S95.2Very high93.1Very high5 Ų540.7 Ų40.74%0.03522%0.215CC..Hα-helixtrans-75.2-35.9-171.1-62.70000113.4T3 D322 A323 G330T3-S326 WeakPolarHBondContact CG2-O 3.42Å; T3-S326 PolarHBondContact OG1-OG 3.1Å; D322-S326 WeakPolarHBondContact O-CB 3.49Å; D322-S326 PolarHBondContact O-N 3.05Å; D322-S326 PolarHBondContact O-OG 2.89Å; A323-S326 PolarHBondContact O-N 2.8Å; S326-G330 PolarHBondContact O-N 3.4Å
327I95.2Very high93.3Very high0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-64.1-52.9-179-65.7169.1000110.8V7 L54 A58 V63 M71 L320 A323 I329 G330 T331V7-I327 HydrophobicContact CG2-CG1 4.49Å; L54-I327 HydrophobicContact CD2-CG2 3.97Å; L54-I327 HydrophobicContact CG-CG2 4.05Å; A58-I327 HydrophobicContact CB-CB 4.04Å; A58-I327 HydrophobicContact CB-CD1 4.24Å; A58-I327 HydrophobicContact CB-CG2 3.99Å; V63-I327 HydrophobicContact CG1-CD1 4.36Å; M71-I327 HydrophobicContact CE-CD1 3.76Å; L320-I327 HydrophobicContact CD1-CD1 4.44Å; L320-I327 HydrophobicContact CD1-CG1 3.9Å; A323-I327 HydrophobicContact CB-CD1 4Å; A323-I327 WeakPolarHBondContact O-CB 3.38Å; A323-I327 VanDerWaalsContact O-CG1 3.26Å; A323-I327 WeakPolarHBondContact O-CG1 3.23Å; A323-I327 PolarHBondContact O-N 3.34Å; I327-I329 PolarHBondContact O-N 3.33Å; I327-G330 PolarHBondContact O-N 3.35Å; I327-T331 VanDerWaalsContact O-CB 3.26Å; I327-T331 WeakPolarHBondContact O-CB 3.43Å; I327-T331 PolarHBondContact O-N 3.38Å; I327-T331 PolarHBondContact O-OG1 3.06Å
328P95.4Very high93.6Very high8 Ų844.4 Ų44.45%0.05223%0.234CC..Hα-helixtrans-57.7-51.4-179.8-25.733.7000113.6S55 T59 S324 L332 F487S55-P328 WeakPolarHBondContact OG-CA 3.47Å; T59-P328 HydrophobicContact CG2-CG 3.87Å; S324-P328 WeakPolarHBondContact O-CD 3.28Å; S324-P328 VanDerWaalsContact O-CG 3.31Å; S324-P328 WeakPolarHBondContact O-CG 3.34Å; P328-L332 VanDerWaalsContact O-CB 3.27Å; P328-L332 WeakPolarHBondContact O-CB 3.42Å; P328-L332 WeakPolarHBondContact O-CD1 3.42Å; P328-L332 WeakPolarHBondContact O-CG 3.48Å; P328-L332 PolarHBondContact O-N 3.35Å; P328-L332 VanDerWaalsContact O-N 3.09Å; P328-F487 HydrophobicContact CB-CD2 4.21Å; P328-F487 HydrophobicContact CB-CE2 4.3Å
329I95.8Very high94Very high90 Ų9042.8 Ų42.846%0.46222%0.216SC..Hα-helixtrans-66.3-46.2-175.5-61.7172.5000110.1T3 R325 I327 A333T3-I329 HydrophobicContact CG2-CB 3.91Å; T3-I329 HydrophobicContact CG2-CG2 3.89Å; R325-I329 HydrophobicContact CG-CD1 3.84Å; R325-I329 WeakPolarHBondContact O-CG1 3.49Å; I327-I329 PolarHBondContact O-N 3.33Å; I329-A333 WeakPolarHBondContact O-CB 3.36Å; I329-A333 PolarHBondContact O-N 3.39Å; I329-A333 VanDerWaalsContact O-N 3.11Å
330G96.3Very high94.4Very high1 Ų143.8 Ų43.81%0.0123%0.227CC..Hα-helixtrans-69.4-45.7-176.200000112.9S326 I327 A334S326-G330 PolarHBondContact O-N 3.4Å; I327-G330 PolarHBondContact O-N 3.35Å; G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 3.28Å
331T96.4Very high94.6Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-69.4-44-178.6-63.40000111.6L54 I310 I327 A334 Q335L54-T331 HydrophobicContact CD2-CG2 4.16Å; I310-T331 HydrophobicContact CB-CG2 4.01Å; I310-T331 VanDerWaalsContact O-CG2 3.28Å; I310-T331 WeakPolarHBondContact O-CG2 3.14Å; I310-T331 PolarHBondContact O-OG1 3.23Å; I327-T331 VanDerWaalsContact O-CB 3.26Å; I327-T331 WeakPolarHBondContact O-CB 3.43Å; I327-T331 PolarHBondContact O-N 3.38Å; I327-T331 PolarHBondContact O-OG1 3.06Å; T331-A334 PolarHBondContact O-N 2.92Å; T331-Q335 VanDerWaalsContact O-CB 3.28Å; T331-Q335 WeakPolarHBondContact O-CB 3.07Å; T331-Q335 PolarHBondContact O-N 3.28Å
332L96.6Very high94.9Very high25 Ų2534.1 Ų34.113%0.13119%0.186CC..Hα-helixtrans-67.8-41.5179.3-70.8169000112.4F48 I52 P328 A334 Q335 L336 F487F48-L332 HydrophobicContact CE2-CD2 4.43Å; I52-L332 HydrophobicContact CG1-CD2 4.03Å; P328-L332 VanDerWaalsContact O-CB 3.27Å; P328-L332 WeakPolarHBondContact O-CB 3.42Å; P328-L332 WeakPolarHBondContact O-CD1 3.42Å; P328-L332 WeakPolarHBondContact O-CG 3.48Å; P328-L332 PolarHBondContact O-N 3.35Å; P328-L332 VanDerWaalsContact O-N 3.09Å; L332-A334 VanDerWaalsContact C-N 3.33Å; L332-A334 PolarHBondContact O-N 3.08Å; L332-Q335 PolarHBondContact O-N 3.47Å; L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.41Å; L332-L336 PolarHBondContact O-N 3.46Å; L332-F487 HydrophobicContact CD1-CE1 4.25Å; L332-F487 HydrophobicContact CD1-CE2 3.78Å; L332-F487 HydrophobicContact CD1-CZ 3.35Å
333A96.7Very high95.2Very high38 Ų3832.7 Ų32.731%0.31418%0.178SC..Hα-helixtrans-62.2-43175.300000111.3F8 I329 I337F8-A333 HydrophobicContact CD2-CB 3.86Å; F8-A333 HydrophobicContact CE2-CB 4.1Å; I329-A333 WeakPolarHBondContact O-CB 3.36Å; I329-A333 PolarHBondContact O-N 3.39Å; I329-A333 VanDerWaalsContact O-N 3.11Å; A333-I337 WeakPolarHBondContact O-CB 3.37Å; A333-I337 VanDerWaalsContact O-CG1 3.3Å; A333-I337 WeakPolarHBondContact O-CG1 3.19Å; A333-I337 PolarHBondContact O-N 2.87Å; A333-I337 VanDerWaalsContact O-N 3.12Å
334A96.2Very high95.4Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-61-50.5176.400000111F8 C11 V12 G330 T331 L332 L336 I337 T338F8-A334 HydrophobicContact CD2-CB 3.89Å; F8-A334 HydrophobicContact CE2-CB 4.28Å; C11-A334 HydrophobicContact CB-CB 3.55Å; V12-A334 HydrophobicContact CG2-CB 3.61Å; G330-A334 VanDerWaalsContact O-CB 3.28Å; G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 3.28Å; T331-A334 PolarHBondContact O-N 2.92Å; L332-A334 VanDerWaalsContact C-N 3.33Å; L332-A334 PolarHBondContact O-N 3.08Å; A334-L336 PolarHBondContact O-N 2.7Å; A334-I337 PolarHBondContact O-N 2.91Å; A334-T338 WeakPolarHBondContact O-CB 3.39Å; A334-T338 VanDerWaalsContact O-CG2 3.23Å; A334-T338 WeakPolarHBondContact O-CG2 3.49Å; A334-T338 PolarHBondContact O-N 3.4Å; A334-T338 PolarHBondContact O-OG1 3.05Å
335Q95.5Very high95.6Very high0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-60.2-42.5-179.7176.960.717.700113.1C44 T47 F48 I310 T331 L332 T338 S339C44-Q335 PolarHBondContact O-NE2 3.2Å; T47-Q335 PolarHBondContact OG1-NE2 3.36Å; F48-Q335 HydrophobicContact CB-CG 4.44Å; F48-Q335 HydrophobicContact CD2-CG 4.4Å; I310-Q335 HydrophobicContact CG2-CB 4.46Å; T331-Q335 VanDerWaalsContact O-CB 3.28Å; T331-Q335 WeakPolarHBondContact O-CB 3.07Å; T331-Q335 PolarHBondContact O-N 3.28Å; L332-Q335 PolarHBondContact O-N 3.47Å; Q335-T338 PolarHBondContact O-OG1 3.06Å; Q335-T338 VanDerWaalsContact O-OG1 3.1Å; Q335-S339 PolarHBondContact NE2-OG 2.96Å; Q335-S339 VanDerWaalsContact NE2-OG 3.1Å; Q335-S339 WeakPolarHBondContact O-CB 3.36Å; Q335-S339 PolarHBondContact O-N 3.03Å; Q335-S339 PolarHBondContact O-OG 3.23Å
336L96Very high95.8Very high91 Ų9126.3 Ų26.348%0.47615%0.153SC..Hα-helixtrans-68-46.6-179.6-74.4171.6000111.3F48 L332 A334 T338 S339 C340F48-L336 HydrophobicContact CD2-CD2 4.34Å; F48-L336 HydrophobicContact CE2-CD2 3.94Å; L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.41Å; L332-L336 PolarHBondContact O-N 3.46Å; A334-L336 PolarHBondContact O-N 2.7Å; L336-T338 VanDerWaalsContact C-N 3.35Å; L336-T338 PolarHBondContact O-N 3.09Å; L336-S339 PolarHBondContact O-N 3.33Å; L336-C340 WeakPolarHBondContact O-CB 3.32Å; L336-C340 PolarHBondContact O-N 3.43Å; L336-C340 PolarHBondContact O-SG 3.41Å
337I95.1Very high95.9Very high80 Ų8029.9 Ų29.941%0.4117%0.171SC..Hα-helixtrans-62.6-44.7179.4-68.5175.1000110.6F8 A333 A334 A341F8-I337 HydrophobicContact CE2-CD1 3.67Å; F8-I337 HydrophobicContact CZ-CD1 3.76Å; A333-I337 WeakPolarHBondContact O-CB 3.37Å; A333-I337 VanDerWaalsContact O-CG1 3.3Å; A333-I337 WeakPolarHBondContact O-CG1 3.19Å; A333-I337 PolarHBondContact O-N 2.87Å; A333-I337 VanDerWaalsContact O-N 3.12Å; A334-I337 PolarHBondContact O-N 2.91Å; I337-A341 WeakPolarHBondContact O-CB 3.37Å; I337-A341 PolarHBondContact O-N 2.86Å
338T95.1Very high95.9Very high1 Ų130 Ų301%0.00617%0.173CC..Hα-helixtrans-68.8-42.4-179.957.80000112V12 I15 F16 A334 Q335 L336 C340 A341 Y342V12-T338 HydrophobicContact CG2-CG2 4.36Å; I15-T338 HydrophobicContact CB-CG2 3.86Å; I15-T338 HydrophobicContact CD1-CG2 4.19Å; I15-T338 VanDerWaalsContact CG2-CB 3.4Å; I15-T338 HydrophobicContact CG2-CG2 3.45Å; I15-T338 VanDerWaalsContact CG2-CG2 3.45Å; F16-T338 HydrophobicContact CD1-CG2 4.2Å; F16-T338 HydrophobicContact CD2-CG2 4.22Å; F16-T338 HydrophobicContact CE1-CG2 3.84Å; F16-T338 HydrophobicContact CE2-CG2 3.87Å; F16-T338 HydrophobicContact CG-CG2 4.37Å; F16-T338 HydrophobicContact CZ-CG2 3.67Å; A334-T338 WeakPolarHBondContact O-CB 3.39Å; A334-T338 VanDerWaalsContact O-CG2 3.23Å; A334-T338 WeakPolarHBondContact O-CG2 3.49Å; A334-T338 PolarHBondContact O-N 3.4Å; A334-T338 PolarHBondContact O-OG1 3.05Å; Q335-T338 PolarHBondContact O-OG1 3.06Å; Q335-T338 VanDerWaalsContact O-OG1 3.1Å; L336-T338 VanDerWaalsContact C-N 3.35Å; L336-T338 PolarHBondContact O-N 3.09Å; T338-C340 VanDerWaalsContact C-N 3.34Å; T338-C340 PolarHBondContact O-N 3.14Å; T338-A341 PolarHBondContact O-N 3.12Å; T338-Y342 VanDerWaalsContact O-CD2 3.25Å; T338-Y342 WeakPolarHBondContact O-CD2 3.22Å; T338-Y342 PolarHBondContact O-N 2.98Å
339S95.5Very high95.9Very high13 Ų1329.7 Ų29.79%0.09117%0.17CC..Hα-helixtrans-60.4-44176.6-60.70000111.6C44 Q335 L336 A341 Y342 L343C44-S339 PolarHBondContact SG-OG 3.35Å; C44-S339 VanDerWaalsContact SG-OG 3.39Å; Q335-S339 PolarHBondContact NE2-OG 2.96Å; Q335-S339 VanDerWaalsContact NE2-OG 3.1Å; Q335-S339 WeakPolarHBondContact O-CB 3.36Å; Q335-S339 PolarHBondContact O-N 3.03Å; Q335-S339 PolarHBondContact O-OG 3.23Å; L336-S339 PolarHBondContact O-N 3.33Å; S339-A341 VanDerWaalsContact C-N 3.34Å; S339-A341 PolarHBondContact O-N 3.46Å; S339-Y342 PolarHBondContact O-N 2.98Å; S339-L343 WeakPolarHBondContact O-CB 3.38Å; S339-L343 VanDerWaalsContact O-CG 3.28Å; S339-L343 WeakPolarHBondContact O-CG 3.43Å; S339-L343 PolarHBondContact O-N 3.33Å
340C95.9Very high95.9Very high84 Ų8425.4 Ų25.457%0.56815%0.148SC*.Hα-helixtrans-60.4-44174.9-71.90000111.8L336 T338 L344L336-C340 WeakPolarHBondContact O-CB 3.32Å; L336-C340 PolarHBondContact O-N 3.43Å; L336-C340 PolarHBondContact O-SG 3.41Å; T338-C340 VanDerWaalsContact C-N 3.34Å; T338-C340 PolarHBondContact O-N 3.14Å; C340-L344 WeakPolarHBondContact O-CB 3.46Å; C340-L344 PolarHBondContact O-N 2.66Å
341A94.8Very high95.9Very high11 Ų1125.8 Ų25.89%0.09115%0.152CC..Hα-helixtrans-65-42.4178.900000112.8F16 I162 I337 T338 S339 G345F16-A341 HydrophobicContact CE1-CB 3.6Å; F16-A341 HydrophobicContact CZ-CB 3.51Å; I162-A341 HydrophobicContact CG2-CB 4.17Å; I337-A341 WeakPolarHBondContact O-CB 3.37Å; I337-A341 PolarHBondContact O-N 2.86Å; T338-A341 PolarHBondContact O-N 3.12Å; S339-A341 VanDerWaalsContact C-N 3.34Å; S339-A341 PolarHBondContact O-N 3.46Å; A341-G345 PolarHBondContact O-N 3.2Å
342Y95.6Very high95.8Very high0 Ų025.8 Ų25.80%015%0.152CC..Hα-helixtrans-64.1-48.1175.9-85.4-73.3000112I15 F16 F20 L24 F303 T338 S339 L344 G345 V346I15-Y342 HydrophobicContact CG2-CD2 4.48Å; I15-Y342 HydrophobicContact CG2-CE2 3.67Å; I15-Y342 PolarHBondContact O-OH 2.94Å; F16-Y342 HydrophobicContact CD1-CE2 4.16Å; F16-Y342 HydrophobicContact CE1-CE2 4.32Å; F20-Y342 HydrophobicContact CB-CE1 3.74Å; F20-Y342 AromaticContact CD2-CD1 3.64Å; F20-Y342 HydrophobicContact CD2-CD1 3.64Å; F20-Y342 AromaticContact CD2-CE1 3.58Å; F20-Y342 HydrophobicContact CD2-CE1 3.58Å; F20-Y342 HydrophobicContact CD2-CG 4.22Å; F20-Y342 HydrophobicContact CE2-CD1 4.37Å; F20-Y342 HydrophobicContact CG-CE1 4.15Å; L24-Y342 HydrophobicContact CD1-CD1 4.27Å; L24-Y342 HydrophobicContact CD2-CD1 3.91Å; F303-Y342 AromaticContact CE2-CD1 3.74Å; F303-Y342 HydrophobicContact CE2-CD1 3.74Å; F303-Y342 AromaticContact CE2-CE1 3.78Å; F303-Y342 HydrophobicContact CE2-CE1 3.78Å; F303-Y342 AromaticContact CZ-CD1 3.56Å; F303-Y342 HydrophobicContact CZ-CD1 3.56Å; F303-Y342 AromaticContact CZ-CE1 3.94Å; F303-Y342 HydrophobicContact CZ-CE1 3.94Å; F303-Y342 HydrophobicContact CZ-CG 4.05Å; T338-Y342 VanDerWaalsContact O-CD2 3.25Å; T338-Y342 WeakPolarHBondContact O-CD2 3.22Å; T338-Y342 PolarHBondContact O-N 2.98Å; S339-Y342 PolarHBondContact O-N 2.98Å; Y342-L344 PolarHBondContact O-N 3.01Å; Y342-G345 PolarHBondContact O-N 3.07Å; Y342-V346 WeakPolarHBondContact O-CG2 3.18Å; Y342-V346 PolarHBondContact O-N 3.24Å
343L96.4Very high95.8Very high33 Ų3324.7 Ų24.717%0.17315%0.146CC..Hα-helixtrans-63.3-41.6178.9-68.6170.4000111.8F37 T40 L41 S339 V346 L347F37-L343 HydrophobicContact CD2-CD2 3.95Å; F37-L343 HydrophobicContact CE2-CB 4.13Å; F37-L343 HydrophobicContact CE2-CD2 3.7Å; F37-L343 HydrophobicContact CE2-CG 4.4Å; F37-L343 HydrophobicContact CG-CD2 4.47Å; F37-L343 HydrophobicContact CZ-CD2 4Å; T40-L343 HydrophobicContact CG2-CD2 3.7Å; T40-L343 HydrophobicContact CG2-CG 4.2Å; L41-L343 HydrophobicContact CB-CD2 4.3Å; L41-L343 HydrophobicContact CD1-CD1 4.46Å; S339-L343 WeakPolarHBondContact O-CB 3.38Å; S339-L343 VanDerWaalsContact O-CG 3.28Å; S339-L343 WeakPolarHBondContact O-CG 3.43Å; S339-L343 PolarHBondContact O-N 3.33Å; L343-V346 PolarHBondContact O-N 3.4Å; L343-L347 WeakPolarHBondContact O-CG 3.21Å; L343-L347 PolarHBondContact O-N 3.21Å
344L96.2Very high95.7Very high68 Ų6823 Ų2336%0.35613%0.132SC..Hα-helixtrans-66.7-38.8175-176.459.6000111.6I166 C340 Y342 V346 L347 C348I166-L344 HydrophobicContact CD1-CD2 3.68Å; I166-L344 HydrophobicContact CG1-CD2 3.99Å; I166-L344 HydrophobicContact CG1-CG 4.49Å; I166-L344 HydrophobicContact CG2-CD2 4.08Å; C340-L344 WeakPolarHBondContact O-CB 3.46Å; C340-L344 PolarHBondContact O-N 2.66Å; Y342-L344 PolarHBondContact O-N 3.01Å; L344-V346 PolarHBondContact O-N 3.15Å; L344-L347 PolarHBondContact O-N 2.96Å; L344-C348 WeakPolarHBondContact O-CB 3.46Å; L344-C348 PolarHBondContact O-N 3.32Å; L344-C348 PolarHBondContact O-SG 2.75Å
345G95.4Very high95.5Very high4 Ų424 Ų244%0.04114%0.137CC..Hα-helixtrans-58.3-45.5174.900000112.4A341 Y342 L347 C348 F349A341-G345 PolarHBondContact O-N 3.2Å; Y342-G345 PolarHBondContact O-N 3.07Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 3.49Å; G345-C348 PolarHBondContact O-N 2.8Å; G345-F349 WeakPolarHBondContact O-CB 3.34Å; G345-F349 WeakPolarHBondContact O-CD2 3.38Å; G345-F349 WeakPolarHBondContact O-CG 3.34Å; G345-F349 PolarHBondContact O-N 3.14Å
346V96.7Very high95.4Very high0 Ų024.1 Ų24.10%014%0.138CC..Hα-helixtrans-55.3-48.8174.1167.70000111.4L24 V28 L33 A36 F37 Y342 L343 L344 G350L24-V346 HydrophobicContact CD1-CG2 3.63Å; L24-V346 HydrophobicContact CG-CG2 4.28Å; V28-V346 HydrophobicContact CG2-CB 4.18Å; V28-V346 HydrophobicContact CG2-CG1 4Å; V28-V346 HydrophobicContact CG2-CG2 4.07Å; L33-V346 HydrophobicContact CD1-CG1 3.91Å; L33-V346 WeakPolarHBondContact CD1-O 3.14Å; A36-V346 HydrophobicContact CB-CG1 4.08Å; F37-V346 HydrophobicContact CB-CG1 4.03Å; F37-V346 HydrophobicContact CD2-CG1 4.48Å; Y342-V346 WeakPolarHBondContact O-CG2 3.18Å; Y342-V346 PolarHBondContact O-N 3.24Å; L343-V346 PolarHBondContact O-N 3.4Å; L344-V346 PolarHBondContact O-N 3.15Å; V346-G350 PolarHBondContact O-N 3.27Å; V346-G350 VanDerWaalsContact O-N 3.1Å
347L96.2Very high95.3Very high80 Ų8020 Ų2042%0.41912%0.116SC..Hα-helixtrans-63.2-47179.2-64.7174.1000112L33 F37 L343 L344 G345 A351L33-L347 HydrophobicContact CD1-CD2 4.18Å; F37-L347 HydrophobicContact CD2-CD2 4.17Å; F37-L347 HydrophobicContact CD2-CG 4.35Å; F37-L347 HydrophobicContact CE2-CD1 4.4Å; F37-L347 HydrophobicContact CE2-CD2 4.46Å; F37-L347 HydrophobicContact CE2-CG 4.44Å; L343-L347 WeakPolarHBondContact O-CG 3.21Å; L343-L347 PolarHBondContact O-N 3.21Å; L344-L347 PolarHBondContact O-N 2.96Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 3.49Å; L347-A351 WeakPolarHBondContact O-CB 3.33Å; L347-A351 PolarHBondContact O-N 3.26Å
348C95.7Very high95.2Very high4 Ų416.3 Ų16.33%0.02710%0.097CC..Hα-helixtrans-63.8-45.7-179.4-69.90000112.2F169 L344 G345 A351 A352F169-C348 HydrophobicContact CB-CB 4.13Å; F169-C348 HydrophobicContact CD2-CB 3.84Å; F169-C348 HydrophobicContact CE2-CB 4.47Å; F169-C348 HydrophobicContact CG-CB 3.94Å; L344-C348 WeakPolarHBondContact O-CB 3.46Å; L344-C348 PolarHBondContact O-N 3.32Å; L344-C348 PolarHBondContact O-SG 2.75Å; G345-C348 PolarHBondContact O-N 2.8Å; C348-A351 PolarHBondContact O-N 3.46Å; C348-A352 WeakPolarHBondContact O-CB 3.46Å; C348-A352 PolarHBondContact O-N 3.12Å
349F95.8Very high95.1Very high1 Ų116.3 Ų16.30%0.00410%0.097CC..Hα-helixtrans-67.9-47.1-177.9-61.1-27.5000111.9F20 L24 A25 T165 G345 A351 A352 I353 L358 V372 L375F20-F349 HydrophobicContact CE1-CZ 4.34Å; F20-F349 HydrophobicContact CZ-CZ 4.35Å; L24-F349 HydrophobicContact CB-CD2 4.4Å; L24-F349 HydrophobicContact CB-CE2 4.08Å; L24-F349 HydrophobicContact CD2-CD2 4.23Å; L24-F349 HydrophobicContact CD2-CE2 3.81Å; L24-F349 HydrophobicContact CG-CD2 4.09Å; L24-F349 HydrophobicContact CG-CE2 4Å; A25-F349 HydrophobicContact CB-CD2 4.06Å; A25-F349 HydrophobicContact CB-CE2 4.48Å; A25-F349 HydrophobicContact CB-CG 4.4Å; T165-F349 HydrophobicContact CG2-CE1 3.68Å; T165-F349 HydrophobicContact CG2-CZ 4.06Å; G345-F349 WeakPolarHBondContact O-CB 3.34Å; G345-F349 WeakPolarHBondContact O-CD2 3.38Å; G345-F349 WeakPolarHBondContact O-CG 3.34Å; G345-F349 PolarHBondContact O-N 3.14Å; F349-A351 PolarHBondContact O-N 2.97Å; F349-A352 PolarHBondContact O-N 3.17Å; F349-I353 HydrophobicContact CB-CD1 4.22Å; F349-I353 HydrophobicContact CD1-CD1 4.03Å; F349-I353 HydrophobicContact CG-CD1 4.38Å; F349-I353 PolarHBondContact O-N 2.88Å; F349-I353 VanDerWaalsContact O-N 3.1Å; F349-L358 HydrophobicContact CB-CD2 4.36Å; F349-V372 HydrophobicContact CE1-CB 4.43Å; F349-V372 HydrophobicContact CE1-CG1 4.02Å; F349-V372 HydrophobicContact CE1-CG2 3.96Å; F349-V372 HydrophobicContact CE2-CG2 3.88Å; F349-V372 HydrophobicContact CZ-CB 4.21Å; F349-V372 HydrophobicContact CZ-CG1 3.69Å; F349-V372 HydrophobicContact CZ-CG2 3.52Å; F349-L375 HydrophobicContact CD1-CD2 3.74Å; F349-L375 HydrophobicContact CE1-CD2 3.92Å
350G95.6Very high95Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-68.1-19.917800000113.5N254 V346N254-G350 WeakPolarHBondContact CB-O 3.29Å; N254-G350 PolarHBondContact ND2-O 3.03Å; V346-G350 PolarHBondContact O-N 3.27Å; V346-G350 VanDerWaalsContact O-N 3.1Å
351A95.7Very high94.7Very high9 Ų912.9 Ų12.97%0.0747%0.071CC..Hα-helixtrans-91.8-19.1175.800000114.9F169 G245 A246 I250 I251 L347 C348 F349F169-A351 HydrophobicContact CE2-CB 3.9Å; F169-A351 HydrophobicContact CZ-CB 4.39Å; G245-A351 CarbonylContact C-O 3.58Å; A246-A351 WeakPolarHBondContact CA-O 3.36Å; A246-A351 HydrophobicContact CB-CB 4.37Å; A246-A351 PolarHBondContact N-O 2.92Å; I250-A351 WeakPolarHBondContact CG2-O 3.3Å; I251-A351 HydrophobicContact CD1-CB 3.88Å; I251-A351 HydrophobicContact CG1-CB 3.68Å; L347-A351 WeakPolarHBondContact O-CB 3.33Å; L347-A351 PolarHBondContact O-N 3.26Å; C348-A351 PolarHBondContact O-N 3.46Å; F349-A351 PolarHBondContact O-N 2.97Å
352A95.4Very high94.4Very high0 Ų015.7 Ų15.70%08%0.081CC..Hα-helixtrans-114.7-27.5-173.900000115.4F169 I243 E244 G245 C348 F349 L375F169-A352 HydrophobicContact CD2-CB 3.78Å; F169-A352 HydrophobicContact CE2-CB 4.12Å; I243-A352 CarbonylContact C-O 3.6Å; E244-A352 PolarHBondContact N-O 2.68Å; G245-A352 PolarHBondContact N-O 3.1Å; C348-A352 WeakPolarHBondContact O-CB 3.46Å; C348-A352 PolarHBondContact O-N 3.12Å; F349-A352 PolarHBondContact O-N 3.17Å; A352-L375 HydrophobicContact CB-CD1 3.93Å; A352-L375 HydrophobicContact CB-CD2 4.46Å
353I95.5Very high94.2Very high1 Ų115.9 Ų15.91%0.0058%0.083CC..BIsolated β-bridgetrans-102.9141.4-169.1-53.2176.9000110A242 I250 N254 F349 F357 L358 A371 L375A242-I353 WeakPolarHBondContact O-CA 3.5Å; A242-I353 WeakPolarHBondContact O-CG2 3.45Å; I250-I353 WeakPolarHBondContact CG1-O 3.5Å; N254-I353 PolarHBondContact ND2-O 3.31Å; F349-I353 HydrophobicContact CB-CD1 4.22Å; F349-I353 HydrophobicContact CD1-CD1 4.03Å; F349-I353 HydrophobicContact CG-CD1 4.38Å; F349-I353 PolarHBondContact O-N 2.88Å; F349-I353 VanDerWaalsContact O-N 3.1Å; I353-F357 HydrophobicContact CG2-CD1 3.78Å; I353-L358 HydrophobicContact CB-CD1 4.22Å; I353-L358 HydrophobicContact CB-CD2 3.71Å; I353-L358 HydrophobicContact CB-CG 3.75Å; I353-L358 HydrophobicContact CD1-CD2 3.95Å; I353-L358 HydrophobicContact CG1-CD2 4.37Å; I353-L358 HydrophobicContact CG2-CD2 3.75Å; I353-L358 HydrophobicContact CG2-CG 3.65Å; I353-A371 HydrophobicContact CD1-CB 4.22Å; I353-L375 HydrophobicContact CD1-CD2 4.34Å
354N95.1Very high93.9Very high4 Ų414.8 Ų14.82%0.0218%0.079CC..  trans-56.7143176.6176.4-82.3000111.8F181 A242 E244 V356 F357 L358F181-N354 HydrophobicContact CE1-CB 4.11Å; F181-N354 HydrophobicContact CZ-CB 4.33Å; F181-N354 WeakPolarHBondContact CZ-OD1 3.47Å; A242-N354 PolarHBondContact O-N 3.39Å; E244-N354 HydrophobicContact CG-CB 4.34Å; E244-N354 PolarHBondContact OE1-ND2 3.46Å; N354-V356 PolarHBondContact O-N 2.95Å; N354-V356 PolarHBondContact OD1-N 3.13Å; N354-F357 HydrophobicContact CB-CB 4.18Å; N354-F357 PolarHBondContact O-N 3.4Å; N354-F357 PolarHBondContact OD1-N 3.32Å; N354-L358 WeakPolarHBondContact O-CB 3.38Å; N354-L358 WeakPolarHBondContact O-CG 3.18Å; N354-L358 PolarHBondContact O-N 3.46Å
355D92.7Very high93.6Very high21 Ų2111.5 Ų11.511%0.1126%0.062CC..THydrogen-bonded Turntrans-69.8-30.4-171.174.3-62000114.9I250 A253 N254 K258 R359I250-D355 HydrophobicContact CD1-CB 4.41Å; A253-D355 HydrophobicContact CB-CB 4.24Å; N254-D355 WeakPolarHBondContact OD1-CA 3.27Å; N254-D355 WeakPolarHBondContact OD1-CB 3.31Å; K258-D355 IonicContact NZ-OD2 3.74Å; K258-D355 PolarHBondContact NZ-OD2 3.03Å; D355-R359 PolarHBondContact O-NE 3.48Å; D355-R359 VanDerWaalsContact O-NE 3.09Å; D355-R359 IonicContact OD2-NH2 2.7Å
356V93.1Very high93.4Very high2 Ų211.4 Ų11.41%0.0126%0.06CC..THydrogen-bonded Turntrans-78.8-43.7175.6-164.60000109.3M183 V188 I266 A268 N354 L358 R359 D360M183-V356 HydrophobicContact CE-CG1 4.12Å; M183-V356 HydrophobicContact CE-CG2 4.15Å; M183-V356 HydrophobicContact SD-CB 4.48Å; M183-V356 HydrophobicContact SD-CG1 4.09Å; V188-V356 HydrophobicContact CG2-CB 4.46Å; V188-V356 HydrophobicContact CG2-CG1 3.27Å; I266-V356 HydrophobicContact CG2-CG1 3.83Å; A268-V356 HydrophobicContact CB-CG2 3.94Å; N354-V356 PolarHBondContact O-N 2.95Å; N354-V356 PolarHBondContact OD1-N 3.13Å; V356-L358 VanDerWaalsContact C-N 3.34Å; V356-L358 PolarHBondContact O-N 3.38Å; V356-R359 PolarHBondContact O-N 2.96Å; V356-R359 VanDerWaalsContact O-N 3.08Å; V356-D360 PolarHBondContact O-N 2.92Å
357F94Very high93.1Very high4 Ų413.9 Ų13.92%0.0187%0.07CC..G310 helixtrans-65.9-33.8178.1-171.1-112.3000112.9L179 F181 A242 I353 N354 R359 D360 A366 A371L179-F357 HydrophobicContact CD2-CE1 4.24Å; L179-F357 HydrophobicContact CD2-CE2 4.49Å; L179-F357 HydrophobicContact CD2-CZ 3.79Å; F181-F357 HydrophobicContact CD1-CB 4.32Å; F181-F357 HydrophobicContact CD1-CD2 4.31Å; F181-F357 HydrophobicContact CD1-CG 4.43Å; F181-F357 HydrophobicContact CE1-CB 3.88Å; F181-F357 HydrophobicContact CE1-CG 4.45Å; F181-F357 HydrophobicContact CE2-CB 4.47Å; F181-F357 HydrophobicContact CG-CD2 4.31Å; F181-F357 HydrophobicContact CZ-CB 3.97Å; A242-F357 HydrophobicContact CB-CD1 3.75Å; A242-F357 HydrophobicContact CB-CE1 3.83Å; A242-F357 HydrophobicContact CB-CG 4.18Å; A242-F357 HydrophobicContact CB-CZ 4.36Å; I353-F357 HydrophobicContact CG2-CD1 3.78Å; N354-F357 HydrophobicContact CB-CB 4.18Å; N354-F357 PolarHBondContact O-N 3.4Å; N354-F357 PolarHBondContact OD1-N 3.32Å; F357-R359 PolarHBondContact O-N 3.46Å; F357-D360 HydrophobicContact CD2-CB 4.47Å; F357-D360 WeakPolarHBondContact O-CB 3.24Å; F357-D360 PolarHBondContact O-N 2.84Å; F357-D360 VanDerWaalsContact O-N 3.16Å; F357-A366 HydrophobicContact CE2-CB 3.6Å; F357-A366 HydrophobicContact CZ-CB 4.16Å; F357-A371 HydrophobicContact CD1-CB 4.21Å; F357-A371 HydrophobicContact CE1-CB 3.62Å; F357-A371 HydrophobicContact CZ-CB 4.4Å
358L93.5Very high92.7Very high3 Ų310.6 Ų10.62%0.0166%0.056CC..G310 helixtrans-59.2-31.4172.2-81.9171.6000112.5A25 W26 V28 N254 F349 I353 N354 V356A25-L358 HydrophobicContact CB-CD2 3.98Å; A25-L358 WeakPolarHBondContact O-CD2 3.42Å; W26-L358 VanDerWaalsContact CA-O 3.25Å; W26-L358 WeakPolarHBondContact CA-O 3.46Å; V28-L358 HydrophobicContact CG1-CD1 4.33Å; N254-L358 WeakPolarHBondContact ND2-CD1 3.43Å; F349-L358 HydrophobicContact CB-CD2 4.36Å; I353-L358 HydrophobicContact CB-CD1 4.22Å; I353-L358 HydrophobicContact CB-CD2 3.71Å; I353-L358 HydrophobicContact CB-CG 3.75Å; I353-L358 HydrophobicContact CD1-CD2 3.95Å; I353-L358 HydrophobicContact CG1-CD2 4.37Å; I353-L358 HydrophobicContact CG2-CD2 3.75Å; I353-L358 HydrophobicContact CG2-CG 3.65Å; N354-L358 WeakPolarHBondContact O-CB 3.38Å; N354-L358 WeakPolarHBondContact O-CG 3.18Å; N354-L358 PolarHBondContact O-N 3.46Å; V356-L358 VanDerWaalsContact C-N 3.34Å; V356-L358 PolarHBondContact O-N 3.38Å
359R93.3Very high92.5Very high1 Ų115.6 Ų15.60%0.0047%0.074CC..G310 helixtrans-82.7-18.6179.5-70.8178.5-73154.8-0.1113G29 T30 I266 S267 D355 V356 F357 K361G29-R359 VanDerWaalsContact C-CG 3.42Å; G29-R359 WeakPolarHBondContact O-CD 3.3Å; G29-R359 VanDerWaalsContact O-CG 3.26Å; G29-R359 WeakPolarHBondContact O-CG 3.36Å; T30-R359 HydrophobicContact CG2-CG 4.09Å; I266-R359 HydrophobicContact CD1-CB 4.39Å; I266-R359 VanDerWaalsContact CD1-O 3.29Å; I266-R359 WeakPolarHBondContact CD1-O 3.43Å; I266-R359 HydrophobicContact CG2-CB 3.96Å; S267-R359 PolarHBondContact O-NH1 2.87Å; S267-R359 PolarHBondContact O-NH2 2.81Å; D355-R359 PolarHBondContact O-NE 3.48Å; D355-R359 VanDerWaalsContact O-NE 3.09Å; D355-R359 IonicContact OD2-NH2 2.7Å; V356-R359 PolarHBondContact O-N 2.96Å; V356-R359 VanDerWaalsContact O-N 3.08Å; F357-R359 PolarHBondContact O-N 3.46Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.28Å
360D91.9Very high92.2Very high10 Ų1016 Ų165%0.0538%0.076CC..  trans-71.688.4172.6-177.90.4000110.2V356 F357 F362 G363 A364 G365V356-D360 PolarHBondContact O-N 2.92Å; F357-D360 HydrophobicContact CD2-CB 4.47Å; F357-D360 WeakPolarHBondContact O-CB 3.24Å; F357-D360 PolarHBondContact O-N 2.84Å; F357-D360 VanDerWaalsContact O-N 3.16Å; D360-F362 PolarHBondContact O-N 2.73Å; D360-F362 VanDerWaalsContact O-N 3.12Å; D360-G363 VanDerWaalsContact CG-CA 3.46Å; D360-G363 PolarHBondContact O-N 3.27Å; D360-G363 VanDerWaalsContact O-N 3.14Å; D360-G363 WeakPolarHBondContact OD1-CA 3.45Å; D360-G363 PolarHBondContact OD1-N 3.37Å; D360-G363 VanDerWaalsContact OD2-CA 3.26Å; D360-G363 WeakPolarHBondContact OD2-CA 3.29Å; D360-A364 VanDerWaalsContact CG-N 3.26Å; D360-A364 PolarHBondContact OD1-N 2.97Å; D360-A364 PolarHBondContact OD2-N 3.5Å; D360-G365 PolarHBondContact OD2-N 2.79Å
361K90.1Very high91.9Very high15 Ų1516.6 Ų16.67%0.0658%0.082CC..THydrogen-bonded Turntrans-50.9-38-172.7-178.9178.9171.1-179.50114.1W26 D291 R359 E451W26-K361 HydrophobicContact CG-CB 4.12Å; W26-K361 HydrophobicContact CG-CG 4.19Å; D291-K361 VanDerWaalsContact CG-NZ 3.34Å; D291-K361 WeakPolarHBondContact OD1-CD 3.33Å; D291-K361 IonicContact OD1-NZ 2.92Å; D291-K361 PolarHBondContact OD1-NZ 3.38Å; D291-K361 IonicContact OD2-NZ 2.75Å; D291-K361 PolarHBondContact OD2-NZ 2.92Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.28Å; K361-E451 IonicContact NZ-OE1 3.71Å; K361-E451 PolarHBondContact NZ-OE1 3.1Å
362F89.3Confident91.7Very high70 Ų7016.2 Ų16.231%0.3078%0.078SC..THydrogen-bonded Turntrans-109.91-174.9-58.2-70.3000112.9E105 L109 D360 A364 G368E105-F362 WeakPolarHBondContact OE1-CE1 3.38Å; L109-F362 HydrophobicContact CD1-CD1 4Å; L109-F362 HydrophobicContact CD1-CE1 4.37Å; D360-F362 PolarHBondContact O-N 2.73Å; D360-F362 VanDerWaalsContact O-N 3.12Å; F362-A364 VanDerWaalsContact C-N 3.26Å; F362-A364 PolarHBondContact O-N 3.42Å; F362-G368 WeakPolarHBondContact O-CA 3.33Å
363G91.2Very high91.6Very high3 Ų316.2 Ų16.23%0.0318%0.078CC..  trans64.830.3-172.600000112.7D360 G365 A366 Y367 G368 R369D360-G363 VanDerWaalsContact CG-CA 3.46Å; D360-G363 PolarHBondContact O-N 3.27Å; D360-G363 VanDerWaalsContact O-N 3.14Å; D360-G363 WeakPolarHBondContact OD1-CA 3.45Å; D360-G363 PolarHBondContact OD1-N 3.37Å; D360-G363 VanDerWaalsContact OD2-CA 3.26Å; D360-G363 WeakPolarHBondContact OD2-CA 3.29Å; G363-G365 VanDerWaalsContact C-N 3.26Å; G363-G365 PolarHBondContact O-N 2.88Å; G363-A366 CarbonylContact O-C 3.52Å; G363-A366 WeakPolarHBondContact O-CA 3.49Å; G363-A366 PolarHBondContact O-N 3.27Å; G363-Y367 PolarHBondContact O-N 3.14Å; G363-G368 WeakPolarHBondContact O-CA 3.35Å; G363-G368 PolarHBondContact O-N 2.86Å; G363-R369 PolarHBondContact O-N 3.38Å
364A90.2Very high91.4Very high10 Ų1017 Ų178%0.0838%0.082CC..G310 helixtrans-60.1-34.4-176.900000112.7L191 Q192 V288 D360 F362 A366 Y367L191-A364 PolarHBondContact N-O 3.43Å; Q192-A364 HydrophobicContact CB-CB 4.03Å; Q192-A364 PolarHBondContact N-O 3.18Å; Q192-A364 VanDerWaalsContact N-O 3.1Å; V288-A364 HydrophobicContact CG1-CB 4.3Å; V288-A364 HydrophobicContact CG2-CB 3.88Å; D360-A364 VanDerWaalsContact CG-N 3.26Å; D360-A364 PolarHBondContact OD1-N 2.97Å; D360-A364 PolarHBondContact OD2-N 3.5Å; F362-A364 VanDerWaalsContact C-N 3.26Å; F362-A364 PolarHBondContact O-N 3.42Å; A364-A366 PolarHBondContact O-N 3.46Å; A364-Y367 PolarHBondContact O-N 3.35Å
365G89.8Confident91.3Very high0 Ų016.9 Ų16.90%08%0.081CC..G310 helixtrans-69.1-8.6173.500000114.7P189 L191 D360 G363P189-G365 WeakPolarHBondContact O-CA 3.33Å; L191-G365 WeakPolarHBondContact CD1-O 3.37Å; D360-G365 PolarHBondContact OD2-N 2.79Å; G363-G365 VanDerWaalsContact C-N 3.26Å; G363-G365 PolarHBondContact O-N 2.88Å
366A91.3Very high91.3Very high2 Ų216.1 Ų16.12%0.0178%0.078CC..G310 helixtrans-129.734.5179.900000112.4L179 F181 F357 G363 A364 G368 R369L179-A366 HydrophobicContact CD1-CB 4.21Å; L179-A366 HydrophobicContact CD2-CB 3.99Å; L179-A366 HydrophobicContact CG-CB 4.36Å; F181-A366 HydrophobicContact CB-CB 4.1Å; F357-A366 HydrophobicContact CE2-CB 3.6Å; F357-A366 HydrophobicContact CZ-CB 4.16Å; G363-A366 CarbonylContact O-C 3.52Å; G363-A366 WeakPolarHBondContact O-CA 3.49Å; G363-A366 PolarHBondContact O-N 3.27Å; A364-A366 PolarHBondContact O-N 3.46Å; A366-G368 PolarHBondContact O-N 3.36Å; A366-R369 HydrophobicContact CB-CB 4.35Å; A366-R369 WeakPolarHBondContact O-CG 3.26Å
367Y90Very high91.2Very high51 Ų5117.6 Ų17.620%0.29%0.087CC..THydrogen-bonded Turntrans59.643179.5-53.4-79.7000113.6L191 Q192 I195 Y202 L203 G363 A364L191-Y367 HydrophobicContact CB-CD1 3.88Å; L191-Y367 HydrophobicContact CB-CE1 3.7Å; L191-Y367 HydrophobicContact CB-CG 4.4Å; L191-Y367 HydrophobicContact CD1-CD2 4.45Å; L191-Y367 HydrophobicContact CD1-CE1 4.3Å; L191-Y367 HydrophobicContact CD1-CE2 3.84Å; L191-Y367 HydrophobicContact CG-CE1 4.48Å; Q192-Y367 PolarHBondContact OE1-O 3.27Å; I195-Y367 HydrophobicContact CB-CD1 4.2Å; I195-Y367 HydrophobicContact CD1-CD1 4.26Å; I195-Y367 HydrophobicContact CD1-CE1 4.38Å; I195-Y367 HydrophobicContact CG2-CD1 4.32Å; Y202-Y367 AromaticContact CD1-CD1 3.82Å; Y202-Y367 HydrophobicContact CD1-CD1 3.82Å; Y202-Y367 HydrophobicContact CD1-CD2 4.1Å; Y202-Y367 AromaticContact CD1-CE1 3.7Å; Y202-Y367 HydrophobicContact CD1-CE1 3.7Å; Y202-Y367 AromaticContact CD1-CE2 4Å; Y202-Y367 HydrophobicContact CD1-CE2 4Å; Y202-Y367 HydrophobicContact CD1-CG 4.01Å; Y202-Y367 AromaticContact CD1-CZ 3.79Å; Y202-Y367 HydrophobicContact CE1-CD1 4.13Å; Y202-Y367 HydrophobicContact CE1-CD2 4.49Å; Y202-Y367 HydrophobicContact CE1-CE1 4.44Å; Y202-Y367 HydrophobicContact CE1-CG 4.14Å; L203-Y367 PolarHBondContact N-OH 3.36Å; L203-Y367 PolarHBondContact O-OH 2.62Å; G363-Y367 PolarHBondContact O-N 3.14Å; A364-Y367 PolarHBondContact O-N 3.35Å
368G88.1Confident91.1Very high12 Ų1222.8 Ų22.812%0.12412%0.121CC..SBendtrans70.837.8174.100000113.1Y110 Q192 F362 G363 A366Y110-G368 WeakPolarHBondContact CD1-O 3.37Å; Y110-G368 WeakPolarHBondContact CE1-O 3.37Å; Q192-G368 VanDerWaalsContact OE1-N 3.14Å; F362-G368 WeakPolarHBondContact O-CA 3.33Å; G363-G368 WeakPolarHBondContact O-CA 3.35Å; G363-G368 PolarHBondContact O-N 2.86Å; A366-G368 PolarHBondContact O-N 3.36Å
369R90.7Very high91Very high108 Ų10827.6 Ų27.641%0.40814%0.143SC..  trans-94.7120.9-178.7-67.6-75-179.7160.8-1.9111.3L179 G363 A366 A371 E374L179-R369 HydrophobicContact CD1-CB 4.35Å; L179-R369 HydrophobicContact CD1-CG 4.08Å; L179-R369 HydrophobicContact CD2-CB 3.82Å; L179-R369 HydrophobicContact CD2-CG 4.45Å; G363-R369 PolarHBondContact O-N 3.38Å; A366-R369 HydrophobicContact CB-CB 4.35Å; A366-R369 WeakPolarHBondContact O-CG 3.26Å; R369-A371 PolarHBondContact O-N 3.5Å; R369-E374 HydrophobicContact CB-CG 4.27Å; R369-E374 WeakPolarHBondContact CD-OE1 3.39Å; R369-E374 IonicContact NH1-OE1 3.12Å
370L89.7Confident90.9Very high9 Ų928.5 Ų28.55%0.04715%0.149CC..  trans-70.1116.5-179.5-175.667.9000111.4Y110 V372 A373 E374Y110-L370 HydrophobicContact CD1-CB 4.02Å; Y110-L370 HydrophobicContact CE1-CB 3.95Å; Y110-L370 HydrophobicContact CE2-CD1 4.24Å; Y110-L370 HydrophobicContact CG-CB 4.37Å; L370-V372 VanDerWaalsContact C-N 3.28Å; L370-V372 PolarHBondContact O-N 2.9Å; L370-V372 VanDerWaalsContact O-N 3.13Å; L370-A373 HydrophobicContact CB-CB 4.06Å; L370-A373 HydrophobicContact CD2-CB 4.26Å; L370-A373 HydrophobicContact CG-CB 4.4Å; L370-A373 WeakPolarHBondContact O-CB 3.23Å; L370-A373 PolarHBondContact O-N 3.39Å; L370-E374 PolarHBondContact O-N 3.44Å
371A89.6Confident90.9Very high14 Ų1431.3 Ų31.312%0.11616%0.163CC..Hα-helixtrans-52-41.1-175.500000114.3I353 F357 R369 E374 L375I353-A371 HydrophobicContact CD1-CB 4.22Å; F357-A371 HydrophobicContact CD1-CB 4.21Å; F357-A371 HydrophobicContact CE1-CB 3.62Å; F357-A371 HydrophobicContact CZ-CB 4.4Å; R369-A371 PolarHBondContact O-N 3.5Å; A371-E374 PolarHBondContact O-N 3.24Å; A371-L375 PolarHBondContact O-N 3.36Å
372V91.8Very high91Very high1 Ų132.7 Ų32.71%0.00617%0.172CC..Hα-helixtrans-68.8-34.1179.1-177.30000112.4F21 A25 T165 F349 L370 A376 I383F21-V372 HydrophobicContact CD1-CG1 3.99Å; F21-V372 VanDerWaalsContact O-CG2 3.28Å; F21-V372 WeakPolarHBondContact O-CG2 3.13Å; A25-V372 HydrophobicContact CB-CG2 3.99Å; T165-V372 HydrophobicContact CG2-CG1 3.84Å; F349-V372 HydrophobicContact CE1-CB 4.43Å; F349-V372 HydrophobicContact CE1-CG1 4.02Å; F349-V372 HydrophobicContact CE1-CG2 3.96Å; F349-V372 HydrophobicContact CE2-CG2 3.88Å; F349-V372 HydrophobicContact CZ-CB 4.21Å; F349-V372 HydrophobicContact CZ-CG1 3.69Å; F349-V372 HydrophobicContact CZ-CG2 3.52Å; L370-V372 VanDerWaalsContact C-N 3.28Å; L370-V372 PolarHBondContact O-N 2.9Å; L370-V372 VanDerWaalsContact O-N 3.13Å; V372-A376 PolarHBondContact O-N 3.29Å; V372-I383 HydrophobicContact CG1-CG2 4.44Å
373A92.4Very high91.2Very high0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-71.2-35.7179.300000111.6L370 A376 P380 I383 I384L370-A373 HydrophobicContact CB-CB 4.06Å; L370-A373 HydrophobicContact CD2-CB 4.26Å; L370-A373 HydrophobicContact CG-CB 4.4Å; L370-A373 WeakPolarHBondContact O-CB 3.23Å; L370-A373 PolarHBondContact O-N 3.39Å; A373-A376 PolarHBondContact O-N 2.84Å; A373-P380 HydrophobicContact CB-CB 3.98Å; A373-P380 WeakPolarHBondContact O-CA 3.27Å; A373-I383 HydrophobicContact CB-CB 3.98Å; A373-I383 HydrophobicContact CB-CG2 4.1Å; A373-I384 HydrophobicContact CB-CG1 4.19Å
374E91.4Very high91.3Very high18 Ų1829.7 Ų29.78%0.08416%0.159CC..Hα-helixtrans-74.3-30.6179-64.2-65.5150.200112.6L179 I243 R369 L370 A371 A376L179-E374 HydrophobicContact CD2-CB 4.35Å; L179-E374 HydrophobicContact CD2-CG 3.81Å; I243-E374 HydrophobicContact CD1-CB 4.22Å; I243-E374 WeakPolarHBondContact CD1-O 3.33Å; R369-E374 HydrophobicContact CB-CG 4.27Å; R369-E374 WeakPolarHBondContact CD-OE1 3.39Å; R369-E374 IonicContact NH1-OE1 3.12Å; L370-E374 PolarHBondContact O-N 3.44Å; A371-E374 PolarHBondContact O-N 3.24Å; E374-A376 VanDerWaalsContact C-N 3.32Å
375L92.6Very high91.4Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-69.7-30.8173.8-177.162.4000112.6G168 N172 I243 F349 A352 I353 A371G168-L375 CarbonylContact C-O 3.51Å; G168-L375 VanDerWaalsContact CA-O 3.29Å; G168-L375 WeakPolarHBondContact CA-O 3.18Å; N172-L375 HydrophobicContact CB-CD1 4.39Å; N172-L375 PolarHBondContact ND2-O 3.23Å; N172-L375 VanDerWaalsContact ND2-O 3.1Å; I243-L375 HydrophobicContact CD1-CB 4.47Å; I243-L375 HydrophobicContact CD1-CD1 4.48Å; I243-L375 HydrophobicContact CG1-CD1 4.5Å; I243-L375 HydrophobicContact CG2-CD1 3.92Å; F349-L375 HydrophobicContact CD1-CD2 3.74Å; F349-L375 HydrophobicContact CE1-CD2 3.92Å; A352-L375 HydrophobicContact CB-CD1 3.93Å; A352-L375 HydrophobicContact CB-CD2 4.46Å; I353-L375 HydrophobicContact CD1-CD2 4.34Å; A371-L375 PolarHBondContact O-N 3.36Å
376A92.5Very high91.5Very high6 Ų633.9 Ų33.95%0.0518%0.179CC..SBendtrans-79.7154.2-172.700000113.5V372 A373 E374 I383V372-A376 PolarHBondContact O-N 3.29Å; A373-A376 PolarHBondContact O-N 2.84Å; E374-A376 VanDerWaalsContact C-N 3.32Å; A376-I383 HydrophobicContact CB-CD1 3.67Å; A376-I383 HydrophobicContact CB-CG1 3.33Å
377V92.2Very high91.5Very high32 Ų3233.8 Ų33.819%0.19418%0.178CC..SBendtrans-112.5158176.8-66.50000111.1L164 I167 V171L164-V377 WeakPolarHBondContact CB-O 3.4Å; L164-V377 WeakPolarHBondContact CD2-O 3.43Å; I167-V377 HydrophobicContact CB-CG2 4.28Å; I167-V377 HydrophobicContact CG2-CG2 3.83Å; V171-V377 HydrophobicContact CB-CG1 4.29Å; V171-V377 HydrophobicContact CG1-CG1 4.2Å
378P90.7Very high91.7Very high113 Ų11333.7 Ų33.773%0.73418%0.178SC*.SBendcis-83.1-18.5-7.533.6-35000113.5
379H91.8Very high91.9Very high105 Ų10536.4 Ų36.449%0.48619%0.189SC..  trans-146.5137-173.7-166.8-93.1000112M381 V382H379-M381 WeakPolarHBondContact CE1-CG 3.41Å; H379-M381 WeakPolarHBondContact ND1-CB 3.47Å; H379-M381 WeakPolarHBondContact ND1-CG 3.34Å; H379-M381 PolarHBondContact ND1-N 2.98Å; H379-M381 PolarHBondContact O-N 3.32Å; H379-M381 VanDerWaalsContact O-N 3.12Å; H379-V382 PolarHBondContact O-N 3.5Å; H379-V382 VanDerWaalsContact O-N 3.11Å
380P91.6Very high92Very high20 Ų2031.2 Ų31.213%0.1317%0.169CC..Hα-helixtrans-56-32.6-177-28.735.4000114.8A373 V382 I383 I384A373-P380 HydrophobicContact CB-CB 3.98Å; A373-P380 WeakPolarHBondContact O-CA 3.27Å; P380-V382 PolarHBondContact O-N 2.65Å; P380-I383 PolarHBondContact O-N 2.95Å; P380-I384 PolarHBondContact O-N 2.96Å; P380-I384 VanDerWaalsContact O-N 3.11Å
381M91.6Very high92.1Very high69 Ų6930.8 Ų30.834%0.3417%0.167SC..Hα-helixtrans-61.8-26.2-179.2-64.8-65.6141.500113.8H379 I383 I384 I385H379-M381 WeakPolarHBondContact CE1-CG 3.41Å; H379-M381 WeakPolarHBondContact ND1-CB 3.47Å; H379-M381 WeakPolarHBondContact ND1-CG 3.34Å; H379-M381 PolarHBondContact ND1-N 2.98Å; H379-M381 PolarHBondContact O-N 3.32Å; H379-M381 VanDerWaalsContact O-N 3.12Å; M381-I383 VanDerWaalsContact C-N 3.31Å; M381-I383 PolarHBondContact O-N 3.3Å; M381-I384 HydrophobicContact CE-CD1 3.6Å; M381-I384 PolarHBondContact O-N 3.37Å; M381-I384 HydrophobicContact SD-CD1 3.8Å; M381-I385 WeakPolarHBondContact O-CB 3.49Å; M381-I385 VanDerWaalsContact O-CG1 3.26Å; M381-I385 WeakPolarHBondContact O-CG1 3.42Å; M381-I385 PolarHBondContact O-N 3.25Å
382V92.7Very high92.3Very high43 Ų4330.6 Ų30.626%0.26117%0.165SC..Hα-helixtrans-63.1-42.7175.7-179.20000110.1C161 L164 H379 P380 G386C161-V382 PolarHBondContact SG-O 3Å; C161-V382 VanDerWaalsContact SG-O 3.4Å; L164-V382 HydrophobicContact CD1-CG1 3.92Å; H379-V382 PolarHBondContact O-N 3.5Å; H379-V382 VanDerWaalsContact O-N 3.11Å; P380-V382 PolarHBondContact O-N 2.65Å; V382-G386 PolarHBondContact O-N 3.41Å
383I92.7Very high92.4Very high1 Ų130.6 Ų30.61%0.00517%0.166CC..Hα-helixtrans-71.8-37.7178-56.1-53.7000111.4F21 C161 V372 A373 A376 P380 M381 G386 S387F21-I383 HydrophobicContact CD1-CG2 3.75Å; F21-I383 HydrophobicContact CE1-CG2 3.98Å; C161-I383 HydrophobicContact CB-CD1 3.61Å; C161-I383 WeakPolarHBondContact O-CD1 3.28Å; V372-I383 HydrophobicContact CG1-CG2 4.44Å; A373-I383 HydrophobicContact CB-CB 3.98Å; A373-I383 HydrophobicContact CB-CG2 4.1Å; A376-I383 HydrophobicContact CB-CD1 3.67Å; A376-I383 HydrophobicContact CB-CG1 3.33Å; P380-I383 PolarHBondContact O-N 2.95Å; M381-I383 VanDerWaalsContact C-N 3.31Å; M381-I383 PolarHBondContact O-N 3.3Å; I383-G386 PolarHBondContact O-N 2.7Å; I383-S387 WeakPolarHBondContact O-CB 3.42Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 3.33Å
384I93.2Very high92.5Very high9 Ų930.6 Ų30.65%0.04617%0.166CC..Hα-helixtrans-63.7-48.5177.5-65.6165.8000110.4I106 A111 A373 P380 M381 G386 S387 F388I106-I384 HydrophobicContact CG2-CG2 4.18Å; A111-I384 HydrophobicContact CB-CG2 3.7Å; A373-I384 HydrophobicContact CB-CG1 4.19Å; P380-I384 PolarHBondContact O-N 2.96Å; P380-I384 VanDerWaalsContact O-N 3.11Å; M381-I384 HydrophobicContact CE-CD1 3.6Å; M381-I384 PolarHBondContact O-N 3.37Å; M381-I384 HydrophobicContact SD-CD1 3.8Å; I384-G386 PolarHBondContact O-N 3.09Å; I384-S387 PolarHBondContact O-N 2.92Å; I384-S387 PolarHBondContact O-OG 3.21Å; I384-F388 WeakPolarHBondContact O-CB 3.28Å; I384-F388 PolarHBondContact O-N 3.16Å
385I92.7Very high92.6Very high99 Ų9929.8 Ų29.851%0.50816%0.162SC..Hα-helixtrans-64.5-42.8176.5-64.1167.3000110.5L157 M381 F388 M389L157-I385 HydrophobicContact CD2-CG2 4.25Å; M381-I385 WeakPolarHBondContact O-CB 3.49Å; M381-I385 VanDerWaalsContact O-CG1 3.26Å; M381-I385 WeakPolarHBondContact O-CG1 3.42Å; M381-I385 PolarHBondContact O-N 3.25Å; I385-F388 PolarHBondContact O-N 3.36Å; I385-M389 HydrophobicContact CG2-CG 4.48Å; I385-M389 WeakPolarHBondContact O-CB 3.21Å; I385-M389 VanDerWaalsContact O-CG 3.31Å; I385-M389 WeakPolarHBondContact O-CG 3.45Å; I385-M389 PolarHBondContact O-N 3.45Å
386G92.5Very high92.7Very high0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-61.1-47178.400000113.2V382 I383 I384 M389 A390V382-G386 PolarHBondContact O-N 3.41Å; I383-G386 PolarHBondContact O-N 2.7Å; I384-G386 PolarHBondContact O-N 3.09Å; G386-M389 PolarHBondContact O-N 2.76Å; G386-A390 WeakPolarHBondContact O-CB 3.13Å; G386-A390 PolarHBondContact O-N 2.76Å
387S92Very high92.7Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-67.7-37.8179.759.70000112.5I383 I384 A390 S391I383-S387 WeakPolarHBondContact O-CB 3.42Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 3.33Å; I384-S387 PolarHBondContact O-N 2.92Å; I384-S387 PolarHBondContact O-OG 3.21Å; S387-A390 WeakPolarHBondContact O-CB 3.11Å; S387-A390 PolarHBondContact O-N 3.49Å; S387-S391 WeakPolarHBondContact O-CB 3.27Å; S387-S391 PolarHBondContact O-N 2.95Å; S387-S391 PolarHBondContact O-OG 3.44Å
388F93.4Very high92.8Very high48 Ų4828.6 Ų28.621%0.21115%0.154CC..Hα-helixtrans-57.2-54.7169.4171.1-95.6000110.6S103 I106 F107 L132 I384 I385 A390 S391 A392S103-F388 WeakPolarHBondContact O-CD2 3.36Å; S103-F388 WeakPolarHBondContact OG-CD2 3.37Å; S103-F388 VanDerWaalsContact OG-CE2 3.27Å; S103-F388 WeakPolarHBondContact OG-CE2 3.34Å; S103-F388 PolarHBondContact OG-O 2.94Å; S103-F388 VanDerWaalsContact OG-O 3.11Å; I106-F388 HydrophobicContact CG2-CB 4.1Å; F107-F388 HydrophobicContact CB-CD2 3.9Å; F107-F388 HydrophobicContact CB-CE2 3.91Å; F107-F388 HydrophobicContact CD2-CD2 4.44Å; F107-F388 HydrophobicContact CD2-CE2 4.19Å; F107-F388 HydrophobicContact CG-CE2 4.31Å; L132-F388 HydrophobicContact CD1-CZ 4.46Å; I384-F388 WeakPolarHBondContact O-CB 3.28Å; I384-F388 PolarHBondContact O-N 3.16Å; I385-F388 PolarHBondContact O-N 3.36Å; F388-A390 VanDerWaalsContact C-N 3.28Å; F388-A390 PolarHBondContact O-N 3.22Å; F388-S391 PolarHBondContact O-N 3.1Å; F388-A392 PolarHBondContact O-N 3.35Å
389M92.7Very high93Very high69 Ų6923.2 Ų23.234%0.3412%0.119SC..Hα-helixtrans-63.5-33.9-179.7-69-62.6-68.500112.3T154 L157 I385 G386 G393T154-M389 HydrophobicContact CG2-CB 3.99Å; T154-M389 WeakPolarHBondContact CG2-O 3.29Å; L157-M389 HydrophobicContact CD2-CB 4.31Å; L157-M389 HydrophobicContact CD2-CG 4.24Å; I385-M389 HydrophobicContact CG2-CG 4.48Å; I385-M389 WeakPolarHBondContact O-CB 3.21Å; I385-M389 VanDerWaalsContact O-CG 3.31Å; I385-M389 WeakPolarHBondContact O-CG 3.45Å; I385-M389 PolarHBondContact O-N 3.45Å; G386-M389 PolarHBondContact O-N 2.76Å; M389-G393 WeakPolarHBondContact O-CA 3.5Å; M389-G393 PolarHBondContact O-N 2.92Å
390A92.4Very high93.1Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-61.3-47.5175.700000111.6F16 F21 V158 G386 S387 F388 G393 A394F16-A390 VanDerWaalsContact O-CB 3.28Å; F16-A390 WeakPolarHBondContact O-CB 3.05Å; F21-A390 HydrophobicContact CE2-CB 4.31Å; V158-A390 HydrophobicContact CG1-CB 4.31Å; V158-A390 HydrophobicContact CG2-CB 3.35Å; G386-A390 WeakPolarHBondContact O-CB 3.13Å; G386-A390 PolarHBondContact O-N 2.76Å; S387-A390 WeakPolarHBondContact O-CB 3.11Å; S387-A390 PolarHBondContact O-N 3.49Å; F388-A390 VanDerWaalsContact C-N 3.28Å; F388-A390 PolarHBondContact O-N 3.22Å; A390-G393 WeakPolarHBondContact O-CA 3.48Å; A390-G393 PolarHBondContact O-N 3.28Å; A390-A394 PolarHBondContact O-N 3.03Å
391S91.9Very high93.1Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-68.3-48.4-177.4-53.30000111.2V18 S387 F388 G393 A394 G395V18-S391 VanDerWaalsContact CA-OG 3.26Å; V18-S391 WeakPolarHBondContact CA-OG 3.39Å; V18-S391 WeakPolarHBondContact CB-OG 3.04Å; V18-S391 PolarHBondContact N-OG 2.84Å; S387-S391 WeakPolarHBondContact O-CB 3.27Å; S387-S391 PolarHBondContact O-N 2.95Å; S387-S391 PolarHBondContact O-OG 3.44Å; F388-S391 PolarHBondContact O-N 3.1Å; S391-G393 PolarHBondContact O-N 2.8Å; S391-A394 PolarHBondContact O-N 3.33Å; S391-G395 PolarHBondContact O-N 3.5Å
392A94Very high93.2Very high9 Ų914 Ų147%0.0747%0.073CC..Hα-helixtrans-58.2-39.1171.700000111.9L132 I136 F388 G395 M396L132-A392 HydrophobicContact CD1-CB 4.4Å; L132-A392 HydrophobicContact CD2-CB 4.19Å; I136-A392 HydrophobicContact CD1-CB 4.32Å; F388-A392 PolarHBondContact O-N 3.35Å; A392-G395 PolarHBondContact O-N 3.33Å; A392-M396 WeakPolarHBondContact O-CB 3.46Å; A392-M396 PolarHBondContact O-N 3.13Å
393G94Very high93.3Very high2 Ų212 Ų122%0.0216%0.061CC..Hα-helixtrans-60.8-49.5175.300000113.6M389 A390 S391 G395 M396 Q397M389-G393 WeakPolarHBondContact O-CA 3.5Å; M389-G393 PolarHBondContact O-N 2.92Å; A390-G393 WeakPolarHBondContact O-CA 3.48Å; A390-G393 PolarHBondContact O-N 3.28Å; S391-G393 PolarHBondContact O-N 2.8Å; G393-G395 VanDerWaalsContact C-N 3.35Å; G393-G395 PolarHBondContact O-N 2.62Å; G393-M396 WeakPolarHBondContact O-CB 3.25Å; G393-M396 PolarHBondContact O-N 3.01Å; G393-Q397 WeakPolarHBondContact O-CG 3.45Å; G393-Q397 PolarHBondContact O-N 3.37Å
394A93.5Very high93.3Very high0 Ų012.7 Ų12.70%06%0.063CC..Hα-helixtrans-59.6-45176.500000111.4N14 Y99 A390 S391 M396 Q397 C398N14-A394 PolarHBondContact OD1-O 3.29Å; Y99-A394 HydrophobicContact CD1-CB 3.94Å; Y99-A394 HydrophobicContact CD2-CB 3.76Å; Y99-A394 HydrophobicContact CE1-CB 4.3Å; Y99-A394 HydrophobicContact CE2-CB 4.15Å; Y99-A394 HydrophobicContact CG-CB 3.68Å; A390-A394 PolarHBondContact O-N 3.03Å; S391-A394 PolarHBondContact O-N 3.33Å; A394-M396 VanDerWaalsContact C-N 3.33Å; A394-M396 PolarHBondContact O-N 3.19Å; A394-Q397 PolarHBondContact O-N 2.97Å; A394-Q397 VanDerWaalsContact O-N 3.13Å; A394-C398 PolarHBondContact O-N 3.38Å
395G93.7Very high93.4Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-56.5-44.8173.400000112.8S391 A392 G393 Q397 C398 L399S391-G395 PolarHBondContact O-N 3.5Å; A392-G395 PolarHBondContact O-N 3.33Å; G393-G395 VanDerWaalsContact C-N 3.35Å; G393-G395 PolarHBondContact O-N 2.62Å; G395-Q397 PolarHBondContact O-N 3.21Å; G395-C398 PolarHBondContact O-N 3.42Å; G395-L399 WeakPolarHBondContact O-CB 3.37Å; G395-L399 PolarHBondContact O-N 3.23Å
396M94.4Very high93.5Very high14 Ų147.7 Ų7.77%0.0694%0.038CC..Hα-helixtrans-62.3-39175.6-171.9-172.6-52.200112.7I136 I139 V140 V147 A392 G393 A394 L399 T400I136-M396 HydrophobicContact CG1-CE 4.47Å; I136-M396 HydrophobicContact CG2-CB 3.86Å; I136-M396 HydrophobicContact CG2-CG 4.07Å; I139-M396 HydrophobicContact CD1-CE 3.94Å; I139-M396 HydrophobicContact CG2-CE 4.27Å; I139-M396 HydrophobicContact CG2-SD 3.89Å; V140-M396 HydrophobicContact CG2-CG 4.04Å; V147-M396 HydrophobicContact CG1-CG 4.09Å; V147-M396 HydrophobicContact CG1-SD 3.91Å; A392-M396 WeakPolarHBondContact O-CB 3.46Å; A392-M396 PolarHBondContact O-N 3.13Å; G393-M396 WeakPolarHBondContact O-CB 3.25Å; G393-M396 PolarHBondContact O-N 3.01Å; A394-M396 VanDerWaalsContact C-N 3.33Å; A394-M396 PolarHBondContact O-N 3.19Å; M396-L399 PolarHBondContact O-N 3.12Å; M396-T400 WeakPolarHBondContact O-CB 3.38Å; M396-T400 PolarHBondContact O-N 2.88Å; M396-T400 PolarHBondContact O-OG1 3.37Å
397Q93.7Very high93.5Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-64.5-48.2176.8-64.6-52.4-36.700111.4Q13 N14 Q312 R316 G393 A394 G395 L399 T400 G401Q13-Q397 HydrophobicContact CB-CG 4.06Å; Q13-Q397 HydrophobicContact CG-CG 4.23Å; N14-Q397 HydrophobicContact CB-CB 4.33Å; Q312-Q397 PolarHBondContact OE1-O 3.47Å; R316-Q397 VanDerWaalsContact CZ-OE1 3.22Å; G393-Q397 WeakPolarHBondContact O-CG 3.45Å; G393-Q397 PolarHBondContact O-N 3.37Å; A394-Q397 PolarHBondContact O-N 2.97Å; A394-Q397 VanDerWaalsContact O-N 3.13Å; G395-Q397 PolarHBondContact O-N 3.21Å; Q397-L399 PolarHBondContact O-N 3.29Å; Q397-T400 WeakPolarHBondContact O-CB 3.5Å; Q397-T400 PolarHBondContact O-N 3.49Å; Q397-T400 VanDerWaalsContact O-N 3.14Å; Q397-G401 PolarHBondContact O-N 3.36Å
398C93.9Very high93.5Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-57-47.5174.5-79.10000112.3N14 S92 A96 A394 G395 T400 G401 A402N14-C398 PolarHBondContact OD1-SG 2.99Å; S92-C398 WeakPolarHBondContact O-CB 3.45Å; A96-C398 HydrophobicContact CB-CB 3.69Å; A394-C398 PolarHBondContact O-N 3.38Å; G395-C398 PolarHBondContact O-N 3.42Å; C398-T400 PolarHBondContact O-N 3.39Å; C398-G401 PolarHBondContact O-N 3.38Å; C398-G401 VanDerWaalsContact O-N 3.13Å; C398-A402 WeakPolarHBondContact O-CB 3.49Å; C398-A402 PolarHBondContact O-N 2.88Å
399L94.6Very high93.4Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-70.8-17.3179.9-159.968.8000112.8L133 I136 V140 G395 M396 Q397 P403L133-L399 HydrophobicContact CD1-CD2 3.89Å; I136-L399 HydrophobicContact CG2-CD2 4.03Å; V140-L399 WeakPolarHBondContact CG1-O 3.43Å; V140-L399 HydrophobicContact CG2-CB 4.32Å; V140-L399 HydrophobicContact CG2-CD2 4.33Å; V140-L399 HydrophobicContact CG2-CG 4.5Å; G395-L399 WeakPolarHBondContact O-CB 3.37Å; G395-L399 PolarHBondContact O-N 3.23Å; M396-L399 PolarHBondContact O-N 3.12Å; Q397-L399 PolarHBondContact O-N 3.29Å; L399-P403 WeakPolarHBondContact O-CD 3.33Å; L399-P403 WeakPolarHBondContact O-CG 3.48Å
400T93Very high93.4Very high1 Ų14 Ų41%0.0062%0.021CC..Hα-helixtrans-84-34.7170.2-55.90000111.8V144 V147 R316 M396 Q397 C398 R404V144-T400 HydrophobicContact CG1-CG2 4.42Å; V144-T400 HydrophobicContact CG2-CG2 4.22Å; V147-T400 HydrophobicContact CG1-CG2 4.44Å; R316-T400 VanDerWaalsContact NH2-CG2 3.29Å; M396-T400 WeakPolarHBondContact O-CB 3.38Å; M396-T400 PolarHBondContact O-N 2.88Å; M396-T400 PolarHBondContact O-OG1 3.37Å; Q397-T400 WeakPolarHBondContact O-CB 3.5Å; Q397-T400 PolarHBondContact O-N 3.49Å; Q397-T400 VanDerWaalsContact O-N 3.14Å; C398-T400 PolarHBondContact O-N 3.39Å; T400-R404 WeakPolarHBondContact O-CD 3.48Å; T400-R404 PolarHBondContact O-NH1 2.89Å
401G92.5Very high93.3Very high0 Ų06.1 Ų6.10%04%0.037CC..Hα-helixtrans-80.4-47.4-177.400000113.9Q397 C398 R404 L405Q397-G401 PolarHBondContact O-N 3.36Å; C398-G401 PolarHBondContact O-N 3.38Å; C398-G401 VanDerWaalsContact O-N 3.13Å; G401-R404 WeakPolarHBondContact O-CB 3.43Å; G401-R404 PolarHBondContact O-N 3.02Å; G401-L405 PolarHBondContact O-N 2.79Å; G401-L405 VanDerWaalsContact O-N 3.15Å
402A94.4Very high93Very high0 Ų07.5 Ų7.50%04%0.044CC..Hα-helixtrans-61-45.1-173.300000113.7Y89 T93 C398 R404 L405 L406Y89-A402 HydrophobicContact CD2-CB 3.94Å; Y89-A402 WeakPolarHBondContact CD2-O 3.36Å; Y89-A402 HydrophobicContact CE2-CB 4.2Å; T93-A402 WeakPolarHBondContact OG1-CB 3.5Å; C398-A402 WeakPolarHBondContact O-CB 3.49Å; C398-A402 PolarHBondContact O-N 2.88Å; A402-R404 VanDerWaalsContact C-N 3.28Å; A402-R404 PolarHBondContact O-N 3.29Å; A402-L405 WeakPolarHBondContact O-CB 3.47Å; A402-L405 PolarHBondContact O-N 3.39Å; A402-L406 PolarHBondContact O-N 2.71Å
403P94.8Very high92.7Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-61.5-34.5177.6-26.336.3000114L399 L406 Q407 P430 A433 I434L399-P403 WeakPolarHBondContact O-CD 3.33Å; L399-P403 WeakPolarHBondContact O-CG 3.48Å; P403-L406 PolarHBondContact O-N 2.97Å; P403-Q407 WeakPolarHBondContact O-CB 3.33Å; P403-Q407 PolarHBondContact O-N 2.97Å; P403-P430 HydrophobicContact CB-CG 4.16Å; P403-A433 HydrophobicContact CB-CB 3.87Å; P403-A433 WeakPolarHBondContact O-CB 3.43Å; P403-I434 HydrophobicContact CB-CB 4.41Å; P403-I434 HydrophobicContact CB-CG1 3.65Å; P403-I434 HydrophobicContact CG-CB 4.33Å; P403-I434 HydrophobicContact CG-CG1 3.8Å
404R92.7Very high92.3Very high15 Ų1511.3 Ų11.36%0.0576%0.06CC..Hα-helixtrans-69.2-40.3177.8-71.2176.4164.459.729111.6T400 G401 A402 Q407 A408 E429 P430T400-R404 WeakPolarHBondContact O-CD 3.48Å; T400-R404 PolarHBondContact O-NH1 2.89Å; G401-R404 WeakPolarHBondContact O-CB 3.43Å; G401-R404 PolarHBondContact O-N 3.02Å; A402-R404 VanDerWaalsContact C-N 3.28Å; A402-R404 PolarHBondContact O-N 3.29Å; R404-Q407 PolarHBondContact O-N 3.23Å; R404-A408 WeakPolarHBondContact O-CB 3.39Å; R404-A408 PolarHBondContact O-N 3.42Å; R404-E429 IonicContact CZ-OE2 2.72Å; R404-E429 IonicContact NH1-OE2 3.7Å; R404-E429 VanDerWaalsContact NH2-CD 3.28Å; R404-E429 IonicContact NH2-OE1 2.81Å; R404-E429 PolarHBondContact NH2-OE1 3.49Å; R404-E429 IonicContact NH2-OE2 3.08Å; R404-E429 PolarHBondContact NH2-OE2 3.33Å; R404-P430 HydrophobicContact CG-CG 4.44Å
405L93.7Very high92Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-61.1-48.2173.7176.767.9000110.7G66 Y69 F88 G401 A402 Q407 A408 I409G66-L405 WeakPolarHBondContact O-CD1 3.35Å; Y69-L405 VanDerWaalsContact CB-CD1 3.42Å; Y69-L405 HydrophobicContact CG-CD1 4.39Å; F88-L405 HydrophobicContact CB-CD2 4.37Å; F88-L405 HydrophobicContact CD1-CD1 4.36Å; F88-L405 HydrophobicContact CD1-CD2 3.27Å; F88-L405 HydrophobicContact CD1-CG 4.44Å; F88-L405 HydrophobicContact CE1-CD2 3.8Å; F88-L405 HydrophobicContact CG-CD2 4.14Å; G401-L405 PolarHBondContact O-N 2.79Å; G401-L405 VanDerWaalsContact O-N 3.15Å; A402-L405 WeakPolarHBondContact O-CB 3.47Å; A402-L405 PolarHBondContact O-N 3.39Å; L405-Q407 VanDerWaalsContact C-N 3.34Å; L405-Q407 PolarHBondContact O-N 3Å; L405-A408 PolarHBondContact O-N 3.48Å; L405-I409 HydrophobicContact CD1-CD1 4.44Å; L405-I409 HydrophobicContact CG-CD1 4.23Å; L405-I409 WeakPolarHBondContact O-CG1 3.41Å; L405-I409 PolarHBondContact O-N 3.14Å
406L94.8Very high91.5Very high3 Ų313.5 Ų13.52%0.0167%0.073CC..Hα-helixtrans-60.7-43.7177-175.568.9000112Y89 A402 P403 A408 I409 A410 L418 F421 A433 L436Y89-L406 HydrophobicContact CD1-CD1 4.08Å; Y89-L406 HydrophobicContact CD2-CB 3.75Å; Y89-L406 HydrophobicContact CD2-CD1 4.49Å; Y89-L406 HydrophobicContact CE1-CD1 4.07Å; Y89-L406 HydrophobicContact CE1-CD2 4.31Å; Y89-L406 HydrophobicContact CE2-CB 3.76Å; Y89-L406 HydrophobicContact CE2-CD1 4.47Å; Y89-L406 HydrophobicContact CE2-CD2 3.97Å; Y89-L406 HydrophobicContact CE2-CG 4.28Å; Y89-L406 HydrophobicContact CG-CB 4.27Å; Y89-L406 HydrophobicContact CG-CD1 4.29Å; A402-L406 PolarHBondContact O-N 2.71Å; P403-L406 PolarHBondContact O-N 2.97Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 2.84Å; L406-I409 PolarHBondContact O-N 2.97Å; L406-A410 WeakPolarHBondContact O-CB 3.48Å; L406-A410 PolarHBondContact O-N 3.26Å; L406-L418 HydrophobicContact CD1-CD1 3.88Å; L406-L418 HydrophobicContact CD1-CD2 4.26Å; L406-F421 HydrophobicContact CD2-CB 4.46Å; L406-F421 HydrophobicContact CD2-CD1 4.33Å; L406-F421 HydrophobicContact CD2-CG 4.18Å; L406-A433 HydrophobicContact CB-CB 4.4Å; L406-A433 HydrophobicContact CD2-CB 4Å; L406-L436 HydrophobicContact CD2-CD2 3.78Å
407Q93.8Very high91.3Very high33 Ų3318 Ų1815%0.15410%0.097CC..Hα-helixtrans-64-38.5177.8-178.8-95.4-11.300111.8P403 R404 L405 A410 S411 T424 P430P403-Q407 WeakPolarHBondContact O-CB 3.33Å; P403-Q407 PolarHBondContact O-N 2.97Å; R404-Q407 PolarHBondContact O-N 3.23Å; L405-Q407 VanDerWaalsContact C-N 3.34Å; L405-Q407 PolarHBondContact O-N 3Å; Q407-A410 PolarHBondContact O-N 3.19Å; Q407-S411 PolarHBondContact NE2-OG 2.88Å; Q407-S411 WeakPolarHBondContact O-CB 3.48Å; Q407-S411 PolarHBondContact O-N 3.47Å; Q407-S411 PolarHBondContact O-OG 3.13Å; Q407-S411 VanDerWaalsContact O-OG 3.12Å; Q407-T424 HydrophobicContact CG-CG2 4.46Å; Q407-P430 HydrophobicContact CB-CB 3.75Å; Q407-P430 HydrophobicContact CB-CG 4.44Å; Q407-P430 HydrophobicContact CG-CB 3.85Å
408A91.3Very high91.2Very high6 Ų619.2 Ų19.25%0.0510%0.103CC..Hα-helixtrans-63.2-44.5174.600000112.1Y69 R404 L405 L406 A410 S411 D412Y69-A408 HydrophobicContact CD1-CB 4.3Å; R404-A408 WeakPolarHBondContact O-CB 3.39Å; R404-A408 PolarHBondContact O-N 3.42Å; L405-A408 PolarHBondContact O-N 3.48Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 2.84Å; A408-A410 VanDerWaalsContact C-N 3.29Å; A408-A410 PolarHBondContact O-N 3.29Å; A408-S411 PolarHBondContact O-N 3.5Å; A408-D412 WeakPolarHBondContact O-CB 3.2Å; A408-D412 PolarHBondContact O-N 2.93Å
409I92.4Very high91.1Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-60.8-41.3175-63.3164.5000110.7Y69 L405 L406 D412 I415 L418Y69-I409 HydrophobicContact CD1-CG1 3.71Å; Y69-I409 HydrophobicContact CD2-CD1 4.39Å; Y69-I409 HydrophobicContact CD2-CG1 3.71Å; Y69-I409 HydrophobicContact CE1-CB 4.39Å; Y69-I409 HydrophobicContact CE1-CG1 3.87Å; Y69-I409 HydrophobicContact CE2-CG1 3.89Å; Y69-I409 HydrophobicContact CG-CD1 4.37Å; Y69-I409 HydrophobicContact CG-CG1 3.63Å; L405-I409 HydrophobicContact CD1-CD1 4.44Å; L405-I409 HydrophobicContact CG-CD1 4.23Å; L405-I409 WeakPolarHBondContact O-CG1 3.41Å; L405-I409 PolarHBondContact O-N 3.14Å; L406-I409 PolarHBondContact O-N 2.97Å; I409-D412 PolarHBondContact O-N 2.71Å; I409-I415 HydrophobicContact CG2-CD1 3.93Å; I409-I415 HydrophobicContact CG2-CG1 4.08Å; I409-L418 HydrophobicContact CG2-CD1 3.97Å
410A92.3Very high91.1Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-67.2-43.2178.200000112.7L406 Q407 A408 D412 E413 L418 F421 Q422L406-A410 WeakPolarHBondContact O-CB 3.48Å; L406-A410 PolarHBondContact O-N 3.26Å; Q407-A410 PolarHBondContact O-N 3.19Å; A408-A410 VanDerWaalsContact C-N 3.29Å; A408-A410 PolarHBondContact O-N 3.29Å; A410-D412 PolarHBondContact O-N 3.13Å; A410-E413 PolarHBondContact O-N 2.88Å; A410-E413 VanDerWaalsContact O-N 3.15Å; A410-L418 HydrophobicContact CB-CB 4.16Å; A410-L418 WeakPolarHBondContact CB-O 3.39Å; A410-F421 HydrophobicContact CB-CB 3.97Å; A410-Q422 HydrophobicContact CB-CB 4.2Å
411S89.3Confident91.1Very high46 Ų4629.9 Ų29.932%0.32215%0.153SC..Hα-helixtrans-66.3-26.8177.4-72.20000113Q407 A408 E413Q407-S411 PolarHBondContact NE2-OG 2.88Å; Q407-S411 WeakPolarHBondContact O-CB 3.48Å; Q407-S411 PolarHBondContact O-N 3.47Å; Q407-S411 PolarHBondContact O-OG 3.13Å; Q407-S411 VanDerWaalsContact O-OG 3.12Å; A408-S411 PolarHBondContact O-N 3.5Å; S411-E413 VanDerWaalsContact C-N 3.25Å
412D87.2Confident91.1Very high28 Ų2833.2 Ų33.215%0.1517%0.168CC..THydrogen-bonded Turntrans-81.8-4.6175.6-78.4-21.4000113.5Y69 A408 I409 A410 V414 K535 W537Y69-D412 HydrophobicContact CE1-CB 4.32Å; Y69-D412 VanDerWaalsContact CE1-OD2 3.22Å; Y69-D412 WeakPolarHBondContact CE1-OD2 3.2Å; Y69-D412 WeakPolarHBondContact OH-CB 3.27Å; Y69-D412 PolarHBondContact OH-OD2 2.82Å; A408-D412 WeakPolarHBondContact O-CB 3.2Å; A408-D412 PolarHBondContact O-N 2.93Å; I409-D412 PolarHBondContact O-N 2.71Å; A410-D412 PolarHBondContact O-N 3.13Å; D412-V414 HydrophobicContact CB-CG2 4.06Å; D412-V414 PolarHBondContact O-N 3.44Å; D412-K535 HydrophobicContact CB-CD 4.43Å; D412-K535 IonicContact OD1-NZ 3.58Å; D412-K535 PolarHBondContact OD1-NZ 3.03Å; D412-W537 WeakPolarHBondContact OD2-CZ2 3.33Å
413E87.5Confident90.9Very high88 Ų8839.2 Ų39.241%0.41120%0.195SC..THydrogen-bonded Turntrans54.316.3178.2-59.3-164.3-169.600115.5A410 S411 I415 R419A410-E413 PolarHBondContact O-N 2.88Å; A410-E413 VanDerWaalsContact O-N 3.15Å; S411-E413 VanDerWaalsContact C-N 3.25Å; E413-I415 PolarHBondContact O-N 3.46Å; E413-I415 VanDerWaalsContact O-N 3.17Å; E413-R419 HydrophobicContact CG-CG 4.4Å; E413-R419 IonicContact OE2-CZ 2.87Å; E413-R419 VanDerWaalsContact OE2-CZ 3.25Å; E413-R419 IonicContact OE2-NE 2.65Å; E413-R419 PolarHBondContact OE2-NE 3Å; E413-R419 VanDerWaalsContact OE2-NE 3.14Å; E413-R419 IonicContact OE2-NH2 2.86Å; E413-R419 PolarHBondContact OE2-NH2 2.91Å
414V84.5Confident90.6Very high3 Ų342.8 Ų42.82%0.01822%0.217CC..SBendtrans-60-29.9177.4177.90000110.9Y69 P78 D412 I528 A533Y69-V414 VanDerWaalsContact OH-CG2 3.23Å; Y69-V414 WeakPolarHBondContact OH-CG2 3.17Å; P78-V414 HydrophobicContact CB-CG2 4.19Å; P78-V414 WeakPolarHBondContact O-CG1 3.09Å; D412-V414 HydrophobicContact CB-CG2 4.06Å; D412-V414 PolarHBondContact O-N 3.44Å; V414-I528 HydrophobicContact CG1-CD1 4.14Å; V414-I528 HydrophobicContact CG1-CG1 4.35Å; V414-I528 HydrophobicContact CG1-CG2 3.46Å; V414-I528 VanDerWaalsContact CG1-CG2 3.46Å; V414-A533 HydrophobicContact CG1-CB 4.22Å
415I87.2Confident90.5Very high8 Ų844.6 Ų44.64%0.04123%0.229CC..SBendtrans-125.199.3-177.7-46.6-167.7000108.5I86 I409 E413 I417 L418 Y527 I528I86-I415 HydrophobicContact CD1-CD1 2.97Å; I86-I415 HydrophobicContact CD1-CG1 4.44Å; I86-I415 HydrophobicContact CG1-CD1 3.48Å; I86-I415 VanDerWaalsContact CG1-CD1 3.48Å; I409-I415 HydrophobicContact CG2-CD1 3.93Å; I409-I415 HydrophobicContact CG2-CG1 4.08Å; E413-I415 PolarHBondContact O-N 3.46Å; E413-I415 VanDerWaalsContact O-N 3.17Å; I415-I417 PolarHBondContact O-N 3.42Å; I415-I417 VanDerWaalsContact O-N 3.09Å; I415-L418 HydrophobicContact CB-CB 4.36Å; I415-L418 HydrophobicContact CB-CD1 3.9Å; I415-L418 HydrophobicContact CB-CG 4.03Å; I415-L418 HydrophobicContact CD1-CD1 4.01Å; I415-L418 HydrophobicContact CG1-CD1 4.4Å; I415-L418 HydrophobicContact CG2-CD1 4.01Å; I415-L418 HydrophobicContact CG2-CG 3.85Å; I415-L418 PolarHBondContact O-N 3.33Å; I415-Y527 HydrophobicContact CG2-CE1 4.16Å; I415-I528 HydrophobicContact CD1-CD1 3.9Å; I415-I528 HydrophobicContact CD1-CG1 4.23Å; I415-I528 HydrophobicContact CG1-CD1 4.11Å; I415-I528 HydrophobicContact CG1-CG1 4.08Å
416P84.5Confident89.8Confident38 Ų3851.1 Ų51.125%0.24728%0.275CS..G310 helixtrans-57.3-32.2-172.2-29.535.7000114.3L418 R419 R531P416-L418 PolarHBondContact O-N 3.49Å; P416-R419 WeakPolarHBondContact O-CB 3.18Å; P416-R419 VanDerWaalsContact O-CG 3.32Å; P416-R419 WeakPolarHBondContact O-CG 3.44Å; P416-R419 PolarHBondContact O-N 3.16Å; P416-R531 HydrophobicContact CG-CB 4.43Å; P416-R531 HydrophobicContact CG-CG 4.41Å
417I90.1Very high89.2Confident110 Ų11058.5 Ų58.556%0.56430%0.302SS*.G310 helixtrans-62.7-28.2177.5-69.7177.3000111.9I415 P420 Y527I415-I417 PolarHBondContact O-N 3.42Å; I415-I417 VanDerWaalsContact O-N 3.09Å; I417-P420 VanDerWaalsContact O-CD 3.28Å; I417-P420 WeakPolarHBondContact O-CD 3.46Å; I417-Y527 WeakPolarHBondContact CD1-OH 3.22Å
418L91.5Very high88.8Confident25 Ų2559 Ų5913%0.13132%0.317CS..G310 helixtrans-87.1-6.1-176.9-60-178.3000113.6I86 L406 I409 A410 I415 P416 P420 F421I86-L418 HydrophobicContact CG1-CD1 4.5Å; L406-L418 HydrophobicContact CD1-CD1 3.88Å; L406-L418 HydrophobicContact CD1-CD2 4.26Å; I409-L418 HydrophobicContact CG2-CD1 3.97Å; A410-L418 HydrophobicContact CB-CB 4.16Å; A410-L418 WeakPolarHBondContact CB-O 3.39Å; I415-L418 HydrophobicContact CB-CB 4.36Å; I415-L418 HydrophobicContact CB-CD1 3.9Å; I415-L418 HydrophobicContact CB-CG 4.03Å; I415-L418 HydrophobicContact CD1-CD1 4.01Å; I415-L418 HydrophobicContact CG1-CD1 4.4Å; I415-L418 HydrophobicContact CG2-CD1 4.01Å; I415-L418 HydrophobicContact CG2-CG 3.85Å; I415-L418 PolarHBondContact O-N 3.33Å; P416-L418 PolarHBondContact O-N 3.49Å; L418-P420 VanDerWaalsContact C-N 3.26Å; L418-P420 WeakPolarHBondContact O-CD 3.48Å; L418-F421 HydrophobicContact CB-CD2 4.4Å; L418-F421 HydrophobicContact CD2-CD2 4.14Å; L418-F421 HydrophobicContact CD2-CE2 4.26Å; L418-F421 WeakPolarHBondContact O-CB 3.35Å; L418-F421 WeakPolarHBondContact O-CD2 3.4Å; L418-F421 PolarHBondContact O-N 2.93Å
419R91Very high88.7Confident116 Ų11659.6 Ų59.644%0.43832%0.319SS..G310 helixtrans-46-38.2178.4-77.2177.3171.7173.1-1.9114.9E413 P416 F421 Q422E413-R419 HydrophobicContact CG-CG 4.4Å; E413-R419 IonicContact OE2-CZ 2.87Å; E413-R419 VanDerWaalsContact OE2-CZ 3.25Å; E413-R419 IonicContact OE2-NE 2.65Å; E413-R419 PolarHBondContact OE2-NE 3Å; E413-R419 VanDerWaalsContact OE2-NE 3.14Å; E413-R419 IonicContact OE2-NH2 2.86Å; E413-R419 PolarHBondContact OE2-NH2 2.91Å; P416-R419 WeakPolarHBondContact O-CB 3.18Å; P416-R419 VanDerWaalsContact O-CG 3.32Å; P416-R419 WeakPolarHBondContact O-CG 3.44Å; P416-R419 PolarHBondContact O-N 3.16Å; R419-F421 PolarHBondContact O-N 3.11Å; R419-F421 VanDerWaalsContact O-N 3.09Å; R419-Q422 WeakPolarHBondContact O-CG 3.42Å; R419-Q422 PolarHBondContact O-N 3Å
420P94Very high88.7Confident65 Ų6559.8 Ų59.842%0.42232%0.319SS..G310 helixtrans-59.6-21.7178.1-25.836.5000114.9I417 L418 R432I417-P420 VanDerWaalsContact O-CD 3.28Å; I417-P420 WeakPolarHBondContact O-CD 3.46Å; L418-P420 VanDerWaalsContact C-N 3.26Å; L418-P420 WeakPolarHBondContact O-CD 3.48Å; P420-R432 WeakPolarHBondContact O-CD 3.41Å; P420-R432 PolarHBondContact O-NH1 3.29Å
421F94.5Very high88.8Confident43 Ų4363 Ų6319%0.18934%0.336CS..G310 helixtrans-87.9-4-178.3-59.7-74.1000114.1L406 A410 L418 R419 K423 R432 L436L406-F421 HydrophobicContact CD2-CB 4.46Å; L406-F421 HydrophobicContact CD2-CD1 4.33Å; L406-F421 HydrophobicContact CD2-CG 4.18Å; A410-F421 HydrophobicContact CB-CB 3.97Å; L418-F421 HydrophobicContact CB-CD2 4.4Å; L418-F421 HydrophobicContact CD2-CD2 4.14Å; L418-F421 HydrophobicContact CD2-CE2 4.26Å; L418-F421 WeakPolarHBondContact O-CB 3.35Å; L418-F421 WeakPolarHBondContact O-CD2 3.4Å; L418-F421 PolarHBondContact O-N 2.93Å; R419-F421 PolarHBondContact O-N 3.11Å; R419-F421 VanDerWaalsContact O-N 3.09Å; F421-K423 PolarHBondContact O-N 3.07Å; F421-R432 HydrophobicContact CD1-CB 3.86Å; F421-R432 HydrophobicContact CE1-CB 4.31Å; F421-L436 HydrophobicContact CD1-CD2 4.48Å; F421-L436 HydrophobicContact CE1-CB 3.94Å; F421-L436 HydrophobicContact CE1-CD2 3.77Å; F421-L436 HydrophobicContact CE1-CG 4.4Å; F421-L436 HydrophobicContact CE2-CD2 4.13Å; F421-L436 HydrophobicContact CZ-CB 4.47Å; F421-L436 HydrophobicContact CZ-CD2 3.58Å; F421-L436 HydrophobicContact CZ-CG 4.46Å
422Q91Very high89.1Confident70 Ų7066.1 Ų66.133%0.32734%0.341SS..G310 helixtrans-68.3-22.5176.877-172.7-20.900113.3A410 R419 T424A410-Q422 HydrophobicContact CB-CB 4.2Å; R419-Q422 WeakPolarHBondContact O-CG 3.42Å; R419-Q422 PolarHBondContact O-N 3Å; Q422-T424 PolarHBondContact O-N 3.26Å
423K90.8Very high89.5Confident127 Ų12764.8 Ų64.855%0.55233%0.334SS*.PPolyproline II helixtrans-69.7127.4-174.2-67.5-169179.8-172.50111.4F421F421-K423 PolarHBondContact O-N 3.07Å
424T89.4Confident89.9Confident75 Ų7560.7 Ų60.746%0.4632%0.315SS..PPolyproline II helixtrans-102.8155.3172.356.90000111.2Q407 Q422Q407-T424 HydrophobicContact CG-CG2 4.46Å; Q422-T424 PolarHBondContact O-N 3.26Å
425T88.8Confident90.5Very high53 Ų5365.4 Ų65.433%0.32534%0.339SS..PPolyproline II helixtrans-70.2169.9167.858.70000111R427 G428 E429 L431T425-R427 PolarHBondContact O-N 2.73Å; T425-R427 VanDerWaalsContact O-N 3.11Å; T425-G428 PolarHBondContact O-N 3.37Å; T425-E429 WeakPolarHBondContact CG2-O 3.37Å; T425-E429 PolarHBondContact N-O 3.26Å; T425-E429 WeakPolarHBondContact OG1-CB 3.46Å; T425-E429 PolarHBondContact OG1-N 3.45Å; T425-E429 VanDerWaalsContact OG1-N 3.12Å; T425-E429 PolarHBondContact OG1-O 3Å; T425-L431 HydrophobicContact CG2-CB 3.64Å; T425-L431 HydrophobicContact CG2-CD2 4.24Å
426S80.9Confident90.9Very high137 Ų13767.7 Ų67.796%0.95835%0.351SS*.THydrogen-bonded Turntrans-55.3-27.7174.1171.90000113.1G428S426-G428 VanDerWaalsContact C-N 3.28Å; S426-G428 PolarHBondContact O-N 2.79Å
427R81.7Confident91.5Very high157 Ų15765.9 Ų65.959%0.59234%0.34SS*.THydrogen-bonded Turntrans-81.4-1.8176.5-62.3179.162.5-161-6.2114S142 T425 E429S142-R427 VanDerWaalsContact O-CZ 3.26Å; S142-R427 PolarHBondContact O-NH1 2.83Å; S142-R427 PolarHBondContact O-NH2 3.43Å; T425-R427 PolarHBondContact O-N 2.73Å; T425-R427 VanDerWaalsContact O-N 3.11Å; R427-E429 HydrophobicContact CB-CG 4.48Å
428G84.3Confident91.8Very high44 Ų4461.9 Ų61.945%0.45432%0.321SS..SBendtrans8110.2-174.900000114.7T425 S426T425-G428 PolarHBondContact O-N 3.37Å; S426-G428 VanDerWaalsContact C-N 3.28Å; S426-G428 PolarHBondContact O-N 2.79Å
429E89.4Confident92.1Very high19 Ų1964.1 Ų64.19%0.08934%0.337CS..  trans-91.2135.6-178.9-65.6-65.2158.600111.7G143 V144 R404 T425 R427 L431G143-E429 WeakPolarHBondContact CA-OE1 3.2Å; V144-E429 PolarHBondContact N-OE1 3.46Å; R404-E429 IonicContact CZ-OE2 2.72Å; R404-E429 IonicContact NH1-OE2 3.7Å; R404-E429 VanDerWaalsContact NH2-CD 3.28Å; R404-E429 IonicContact NH2-OE1 2.81Å; R404-E429 PolarHBondContact NH2-OE1 3.49Å; R404-E429 IonicContact NH2-OE2 3.08Å; R404-E429 PolarHBondContact NH2-OE2 3.33Å; T425-E429 WeakPolarHBondContact CG2-O 3.37Å; T425-E429 PolarHBondContact N-O 3.26Å; T425-E429 WeakPolarHBondContact OG1-CB 3.46Å; T425-E429 PolarHBondContact OG1-N 3.45Å; T425-E429 VanDerWaalsContact OG1-N 3.12Å; T425-E429 PolarHBondContact OG1-O 3Å; R427-E429 HydrophobicContact CB-CG 4.48Å; E429-L431 PolarHBondContact O-N 3.22Å
430P93Very high92.3Very high3 Ų360.4 Ų60.42%0.01933%0.326CS..  trans-84.571.4-175.236-37.6000112.3P403 R404 Q407 R432 A433 I434P403-P430 HydrophobicContact CB-CG 4.16Å; R404-P430 HydrophobicContact CG-CG 4.44Å; Q407-P430 HydrophobicContact CB-CB 3.75Å; Q407-P430 HydrophobicContact CB-CG 4.44Å; Q407-P430 HydrophobicContact CG-CB 3.85Å; P430-R432 VanDerWaalsContact C-N 3.34Å; P430-R432 PolarHBondContact O-N 2.96Å; P430-A433 HydrophobicContact CB-CB 4.12Å; P430-A433 PolarHBondContact O-N 3.48Å; P430-I434 HydrophobicContact CG-CD1 4.43Å; P430-I434 HydrophobicContact CG-CG1 4.38Å; P430-I434 WeakPolarHBondContact O-CG1 3.31Å; P430-I434 PolarHBondContact O-N 3.37Å
431L94.5Very high92.3Very high67 Ų6757.3 Ų57.335%0.35131%0.306SS..Hα-helixtrans-53.8-43.8-171.5-178.764.3000114V141 T425 E429 A433 I434 L435V141-L431 HydrophobicContact CG1-CD1 4.07Å; V141-L431 HydrophobicContact CG2-CD1 4.21Å; T425-L431 HydrophobicContact CG2-CB 3.64Å; T425-L431 HydrophobicContact CG2-CD2 4.24Å; E429-L431 PolarHBondContact O-N 3.22Å; L431-A433 VanDerWaalsContact C-N 3.34Å; L431-A433 PolarHBondContact O-N 2.89Å; L431-I434 PolarHBondContact O-N 3.43Å; L431-L435 HydrophobicContact CD1-CD1 4.38Å; L431-L435 HydrophobicContact CD1-CG 4.3Å; L431-L435 HydrophobicContact CG-CD1 4.16Å; L431-L435 HydrophobicContact CG-CG 4.48Å; L431-L435 WeakPolarHBondContact O-CG 3.49Å; L431-L435 PolarHBondContact O-N 3.34Å
432R95.1Very high92.3Very high113 Ų11357.8 Ų57.843%0.42631%0.309SS..Hα-helixtrans-63.6-39.3179.6-68.1178.7175.3-164.4-9.8112.5P420 F421 P430 L436P420-R432 WeakPolarHBondContact O-CD 3.41Å; P420-R432 PolarHBondContact O-NH1 3.29Å; F421-R432 HydrophobicContact CD1-CB 3.86Å; F421-R432 HydrophobicContact CE1-CB 4.31Å; P430-R432 VanDerWaalsContact C-N 3.34Å; P430-R432 PolarHBondContact O-N 2.96Å; R432-L436 PolarHBondContact O-N 2.9Å
433A95.6Very high92.4Very high0 Ų057.7 Ų57.70%032%0.315CS..Hα-helixtrans-71.2-36.1177.800000111.2P403 L406 P430 L431 S437P403-A433 HydrophobicContact CB-CB 3.87Å; P403-A433 WeakPolarHBondContact O-CB 3.43Å; L406-A433 HydrophobicContact CB-CB 4.4Å; L406-A433 HydrophobicContact CD2-CB 4Å; P430-A433 HydrophobicContact CB-CB 4.12Å; P430-A433 PolarHBondContact O-N 3.48Å; L431-A433 VanDerWaalsContact C-N 3.34Å; L431-A433 PolarHBondContact O-N 2.89Å; A433-S437 WeakPolarHBondContact O-CB 3.48Å; A433-S437 PolarHBondContact O-N 3.31Å; A433-S437 PolarHBondContact O-OG 3.41Å
434I96Very high92.4Very high1 Ų152.5 Ų52.51%0.00529%0.294CS..Hα-helixtrans-62.3-51.3174.5-64.6165.8000109.5V140 V141 P403 P430 L431 L436 S437 T438V140-I434 HydrophobicContact CG1-CD1 4.34Å; V140-I434 HydrophobicContact CG1-CG1 4.41Å; V140-I434 HydrophobicContact CG1-CG2 4.18Å; V141-I434 HydrophobicContact CG2-CG2 3.75Å; P403-I434 HydrophobicContact CB-CB 4.41Å; P403-I434 HydrophobicContact CB-CG1 3.65Å; P403-I434 HydrophobicContact CG-CB 4.33Å; P403-I434 HydrophobicContact CG-CG1 3.8Å; P430-I434 HydrophobicContact CG-CD1 4.43Å; P430-I434 HydrophobicContact CG-CG1 4.38Å; P430-I434 WeakPolarHBondContact O-CG1 3.31Å; P430-I434 PolarHBondContact O-N 3.37Å; L431-I434 PolarHBondContact O-N 3.43Å; I434-L436 VanDerWaalsContact C-N 3.34Å; I434-L436 PolarHBondContact O-N 2.89Å; I434-S437 PolarHBondContact O-N 2.84Å; I434-S437 VanDerWaalsContact O-N 3.12Å; I434-T438 PolarHBondContact O-N 2.93Å; I434-T438 PolarHBondContact O-OG1 3.18Å
435L96.5Very high92.5Very high102 Ų10249 Ų4953%0.53427%0.273SS..Hα-helixtrans-59.3-42.1179.1-68.9174.1000112.6L431 T438 C439L431-L435 HydrophobicContact CD1-CD1 4.38Å; L431-L435 HydrophobicContact CD1-CG 4.3Å; L431-L435 HydrophobicContact CG-CD1 4.16Å; L431-L435 HydrophobicContact CG-CG 4.48Å; L431-L435 WeakPolarHBondContact O-CG 3.49Å; L431-L435 PolarHBondContact O-N 3.34Å; L435-T438 PolarHBondContact O-N 3.24Å; L435-C439 WeakPolarHBondContact O-CB 3.41Å; L435-C439 PolarHBondContact O-N 2.91Å
436L96.6Very high92.6Very high56 Ų5650.8 Ų50.829%0.29328%0.28SS..Hα-helixtrans-63.2-44.6174.9179.765.8000111.7L406 F421 R432 I434 C439 I440L406-L436 HydrophobicContact CD2-CD2 3.78Å; F421-L436 HydrophobicContact CD1-CD2 4.48Å; F421-L436 HydrophobicContact CE1-CB 3.94Å; F421-L436 HydrophobicContact CE1-CD2 3.77Å; F421-L436 HydrophobicContact CE1-CG 4.4Å; F421-L436 HydrophobicContact CE2-CD2 4.13Å; F421-L436 HydrophobicContact CZ-CB 4.47Å; F421-L436 HydrophobicContact CZ-CD2 3.58Å; F421-L436 HydrophobicContact CZ-CG 4.46Å; R432-L436 PolarHBondContact O-N 2.9Å; I434-L436 VanDerWaalsContact C-N 3.34Å; I434-L436 PolarHBondContact O-N 2.89Å; L436-C439 PolarHBondContact O-N 2.96Å; L436-I440 HydrophobicContact CD1-CD1 4.2Å; L436-I440 HydrophobicContact CD1-CG1 4.39Å; L436-I440 HydrophobicContact CG-CD1 3.97Å; L436-I440 WeakPolarHBondContact O-CG1 3.09Å; L436-I440 PolarHBondContact O-N 3.48Å
437S96.6Very high92.8Very high0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-64.7-42-180-53.80000111.2Y89 T93 A433 I434 C439 I440 C441Y89-S437 WeakPolarHBondContact CE2-OG 3.48Å; Y89-S437 PolarHBondContact OH-OG 2.93Å; T93-S437 WeakPolarHBondContact CG2-O 3.33Å; A433-S437 WeakPolarHBondContact O-CB 3.48Å; A433-S437 PolarHBondContact O-N 3.31Å; A433-S437 PolarHBondContact O-OG 3.41Å; I434-S437 PolarHBondContact O-N 2.84Å; I434-S437 VanDerWaalsContact O-N 3.12Å; S437-C439 VanDerWaalsContact C-N 3.35Å; S437-I440 PolarHBondContact O-N 3.5Å; S437-C441 VanDerWaalsContact O-CB 3.24Å; S437-C441 WeakPolarHBondContact O-CB 3.39Å; S437-C441 PolarHBondContact O-N 3.34Å
438T97.2Very high92.3Very high27 Ų2742.4 Ų42.417%0.16624%0.237CC..Hα-helixtrans-60.9-43173.3-63.50000111.1L133 S137 I434 L435 C441 E442L133-T438 HydrophobicContact CD1-CG2 4.36Å; L133-T438 HydrophobicContact CD2-CG2 4.2Å; L133-T438 HydrophobicContact CG-CG2 4.2Å; S137-T438 WeakPolarHBondContact OG-CG2 3.23Å; S137-T438 PolarHBondContact OG-OG1 3.4Å; S137-T438 VanDerWaalsContact OG-OG1 3.07Å; I434-T438 PolarHBondContact O-N 2.93Å; I434-T438 PolarHBondContact O-OG1 3.18Å; L435-T438 PolarHBondContact O-N 3.24Å; T438-C441 WeakPolarHBondContact O-CB 3.39Å; T438-C441 PolarHBondContact O-N 3.31Å; T438-E442 WeakPolarHBondContact O-CB 3.22Å; T438-E442 PolarHBondContact O-N 3.01Å
439C97Very high91.3Very high71 Ų7146.2 Ų46.248%0.4824%0.241SC..Hα-helixtrans-63.5-44.8177.41770000112.4L435 L436 S437 C441 E442 C443L435-C439 WeakPolarHBondContact O-CB 3.41Å; L435-C439 PolarHBondContact O-N 2.91Å; L436-C439 PolarHBondContact O-N 2.96Å; S437-C439 VanDerWaalsContact C-N 3.35Å; C439-C441 VanDerWaalsContact C-N 3.33Å; C439-C441 PolarHBondContact O-N 3.37Å; C439-E442 PolarHBondContact O-N 3.15Å; C439-C443 PolarHBondContact O-N 2.93Å; C439-C443 PolarHBondContact O-SG 3.49Å
440I94.8Very high90.1Very high39 Ų3947.2 Ų47.220%0.225%0.247CC..Hα-helixtrans-62.3-43.5175.2-66.6167.5000110.4Y89 T93 L436 S437 E442 C443 C444Y89-I440 HydrophobicContact CE1-CD1 4.25Å; Y89-I440 WeakPolarHBondContact OH-CD1 3.45Å; T93-I440 HydrophobicContact CG2-CB 3.81Å; T93-I440 HydrophobicContact CG2-CG2 3.7Å; L436-I440 HydrophobicContact CD1-CD1 4.2Å; L436-I440 HydrophobicContact CD1-CG1 4.39Å; L436-I440 HydrophobicContact CG-CD1 3.97Å; L436-I440 WeakPolarHBondContact O-CG1 3.09Å; L436-I440 PolarHBondContact O-N 3.48Å; S437-I440 PolarHBondContact O-N 3.5Å; I440-E442 PolarHBondContact O-N 3.05Å; I440-C443 PolarHBondContact O-N 3.13Å; I440-C444 PolarHBondContact O-N 2.98Å; I440-C444 PolarHBondContact O-SG 2.97Å; I440-C444 VanDerWaalsContact O-SG 3.36Å
441C94.4Very high88.9Confident0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-59.6-45.7176.8-172.10000111.4T93 S97 L133 S437 T438 C439 C444 I445T93-C441 HydrophobicContact CG2-CB 4.38Å; S97-C441 VanDerWaalsContact CA-SG 3.52Å; S97-C441 VanDerWaalsContact CB-SG 3.58Å; S97-C441 PolarHBondContact N-SG 2.74Å; S97-C441 VanDerWaalsContact N-SG 3.43Å; L133-C441 HydrophobicContact CD1-CB 4.29Å; L133-C441 HydrophobicContact CD2-CB 3.95Å; S437-C441 VanDerWaalsContact O-CB 3.24Å; S437-C441 WeakPolarHBondContact O-CB 3.39Å; S437-C441 PolarHBondContact O-N 3.34Å; T438-C441 WeakPolarHBondContact O-CB 3.39Å; T438-C441 PolarHBondContact O-N 3.31Å; C439-C441 VanDerWaalsContact C-N 3.33Å; C439-C441 PolarHBondContact O-N 3.37Å; C441-C444 PolarHBondContact O-N 3.24Å; C441-I445 WeakPolarHBondContact O-CG1 3.37Å; C441-I445 PolarHBondContact O-N 3.49Å
442E95.4Very high87.4Confident53 Ų5350.1 Ų50.125%0.24826%0.264CS..Hα-helixtrans-60.4-47.2176-176.162.9-157.900111.2S130 L133 T438 C439 I440 C444 I445 L446S130-E442 WeakPolarHBondContact CB-OE1 3.29Å; S130-E442 PolarHBondContact OG-OE1 3.2Å; S130-E442 PolarHBondContact OG-OE2 3.19Å; L133-E442 HydrophobicContact CD2-CB 3.97Å; L133-E442 WeakPolarHBondContact CD2-OE2 3.41Å; T438-E442 WeakPolarHBondContact O-CB 3.22Å; T438-E442 PolarHBondContact O-N 3.01Å; C439-E442 PolarHBondContact O-N 3.15Å; I440-E442 PolarHBondContact O-N 3.05Å; E442-C444 VanDerWaalsContact C-N 3.28Å; E442-C444 PolarHBondContact O-N 3.39Å; E442-I445 PolarHBondContact O-N 3Å; E442-I445 VanDerWaalsContact O-N 3.1Å; E442-L446 HydrophobicContact CG-CD1 4.18Å; E442-L446 HydrophobicContact CG-CG 4.47Å; E442-L446 WeakPolarHBondContact O-CG 3.4Å; E442-L446 PolarHBondContact O-N 3.07Å
443C93.2Very high86.2Confident68 Ų6846.5 Ų46.546%0.45925%0.253SS..Hα-helixtrans-57.3-41.3175.4-680000112.2C439 I440 L446 I447C439-C443 PolarHBondContact O-N 2.93Å; C439-C443 PolarHBondContact O-SG 3.49Å; I440-C443 PolarHBondContact O-N 3.13Å; C443-L446 PolarHBondContact O-N 2.91Å; C443-I447 VanDerWaalsContact O-CG1 3.31Å; C443-I447 WeakPolarHBondContact O-CG1 3.2Å; C443-I447 PolarHBondContact O-N 3.26Å
444C91Very high85.1Confident18 Ų1847.2 Ų47.212%0.12226%0.258CS..Hα-helixtrans-67.3-37.2176.2-68.50000113S97 I440 C441 E442 A448S97-C444 VanDerWaalsContact OG-CB 3.31Å; S97-C444 WeakPolarHBondContact OG-CB 3.24Å; I440-C444 PolarHBondContact O-N 2.98Å; I440-C444 PolarHBondContact O-SG 2.97Å; I440-C444 VanDerWaalsContact O-SG 3.36Å; C441-C444 PolarHBondContact O-N 3.24Å; E442-C444 VanDerWaalsContact C-N 3.28Å; E442-C444 PolarHBondContact O-N 3.39Å; C444-A448 PolarHBondContact O-N 3.23Å
445I91.7Very high84.3Confident1 Ų148 Ų481%0.00526%0.264CS..Hα-helixtrans-63.6-45.3175.2-71.3170.3000110.3I100 L101 A129 L133 C441 E442 I447 A448I100-I445 HydrophobicContact CG2-CD1 4.07Å; L101-I445 HydrophobicContact CD1-CG2 4.47Å; A129-I445 HydrophobicContact CB-CD1 4.17Å; A129-I445 HydrophobicContact CB-CG1 4.39Å; A129-I445 HydrophobicContact CB-CG2 3.61Å; L133-I445 HydrophobicContact CB-CD1 4.04Å; L133-I445 HydrophobicContact CD2-CD1 3.78Å; L133-I445 HydrophobicContact CG-CD1 4.46Å; C441-I445 WeakPolarHBondContact O-CG1 3.37Å; C441-I445 PolarHBondContact O-N 3.49Å; E442-I445 PolarHBondContact O-N 3Å; E442-I445 VanDerWaalsContact O-N 3.1Å; I445-I447 VanDerWaalsContact C-N 3.32Å; I445-I447 PolarHBondContact O-N 3.16Å; I445-A448 WeakPolarHBondContact O-CA 3.22Å; I445-A448 PolarHBondContact O-N 3.29Å
446L90.8Very high83.6Confident91 Ų9145.1 Ų45.148%0.47625%0.249SC..Hα-helixtrans-63.9-35.3-178.9-67.8174.4000112.9R126 E442 C443 A448R126-L446 PolarHBondContact NE-O 3.1Å; E442-L446 HydrophobicContact CG-CD1 4.18Å; E442-L446 HydrophobicContact CG-CG 4.47Å; E442-L446 WeakPolarHBondContact O-CG 3.4Å; E442-L446 PolarHBondContact O-N 3.07Å; C443-L446 PolarHBondContact O-N 2.91Å; L446-A448 PolarHBondContact O-N 2.92Å
447I85.2Confident83.2Confident105 Ų10542.6 Ų42.654%0.53824%0.236SC..Hα-helixtrans-62.6-32.3174.3-68.2165.3000111C443 I445 F449 I453C443-I447 VanDerWaalsContact O-CG1 3.31Å; C443-I447 WeakPolarHBondContact O-CG1 3.2Å; C443-I447 PolarHBondContact O-N 3.26Å; I445-I447 VanDerWaalsContact C-N 3.32Å; I445-I447 PolarHBondContact O-N 3.16Å; I447-F449 HydrophobicContact CG2-CB 4.11Å; I447-F449 PolarHBondContact O-N 2.85Å; I447-F449 VanDerWaalsContact O-N 3.08Å; I447-I453 HydrophobicContact CG2-CD1 4.31Å
448A69.8Low82.9Confident13 Ų1342.6 Ų42.611%0.10724%0.236CC..  trans50.629.1176.100000115.7R126 C444 I445 L446R126-A448 HydrophobicContact CG-CB 3.89Å; C444-A448 PolarHBondContact O-N 3.23Å; I445-A448 WeakPolarHBondContact O-CA 3.22Å; I445-A448 PolarHBondContact O-N 3.29Å; L446-A448 PolarHBondContact O-N 2.92Å
449F64.8Low82.7Confident124 Ų12441.3 Ų41.354%0.54423%0.228SC..  trans-118.580.2178.2-167.2-113.9000111.2I447 S452 I453I447-F449 HydrophobicContact CG2-CB 4.11Å; I447-F449 PolarHBondContact O-N 2.85Å; I447-F449 VanDerWaalsContact O-N 3.08Å; F449-S452 VanDerWaalsContact CE1-CB 3.47Å; F449-S452 WeakPolarHBondContact CE1-OG 3.44Å; F449-I453 WeakPolarHBondContact O-CD1 3.49Å; F449-I453 VanDerWaalsContact O-CG1 3.25Å; F449-I453 WeakPolarHBondContact O-CG1 3.27Å
450L63.3Low82.6Confident39 Ų3938.3 Ų38.320%0.20421%0.207CC..Hα-helixtrans-73.1-37.9-167-73.1-177.7000114.7M98 L101 I453 T454M98-L450 HydrophobicContact CB-CD2 4.35Å; M98-L450 HydrophobicContact CG-CD2 4.49Å; L101-L450 HydrophobicContact CB-CD1 4.09Å; L101-L450 HydrophobicContact CB-CD2 4.44Å; L101-L450 HydrophobicContact CD2-CD1 3.35Å; L101-L450 HydrophobicContact CD2-CD2 3.75Å; L101-L450 HydrophobicContact CD2-CG 3.38Å; L101-L450 HydrophobicContact CG-CD1 4.11Å; L450-I453 PolarHBondContact O-N 3.36Å; L450-T454 WeakPolarHBondContact O-CB 3.4Å; L450-T454 PolarHBondContact O-N 3.26Å; L450-T454 PolarHBondContact O-OG1 3.5Å
451E66.8Low82.6Confident76 Ų7636.5 Ų36.536%0.35520%0.198SC..Hα-helixtrans-71.6-44.4-161.1-62.3-166.3156.100112.5R23 K361 I453 T454 A455R23-E451 IonicContact NH1-OE1 3.46Å; R23-E451 IonicContact NH2-OE1 3.54Å; K361-E451 IonicContact NZ-OE1 3.71Å; K361-E451 PolarHBondContact NZ-OE1 3.1Å; E451-I453 VanDerWaalsContact C-N 3.3Å; E451-I453 PolarHBondContact O-N 3.33Å; E451-T454 PolarHBondContact O-N 2.88Å; E451-A455 PolarHBondContact O-N 2.87Å
452S64.7Low82.6Confident55 Ų5536.5 Ų36.539%0.38520%0.198SC..Hα-helixtrans-65.7-33.1173.4-69.30000112.7F449F449-S452 VanDerWaalsContact CE1-CB 3.47Å; F449-S452 WeakPolarHBondContact CE1-OG 3.44Å
453I68.4Low82.6Confident37 Ų3734.4 Ų34.419%0.1919%0.188CC..Hα-helixtrans-71.6-38.4177.3-63177.8000110.6I94 I447 F449 L450 E451 A455 L456 I457I94-I453 HydrophobicContact CG2-CG2 3.32Å; I447-I453 HydrophobicContact CG2-CD1 4.31Å; F449-I453 WeakPolarHBondContact O-CD1 3.49Å; F449-I453 VanDerWaalsContact O-CG1 3.25Å; F449-I453 WeakPolarHBondContact O-CG1 3.27Å; L450-I453 PolarHBondContact O-N 3.36Å; E451-I453 VanDerWaalsContact C-N 3.3Å; E451-I453 PolarHBondContact O-N 3.33Å; I453-A455 VanDerWaalsContact C-N 3.29Å; I453-A455 PolarHBondContact O-N 3.42Å; I453-L456 WeakPolarHBondContact O-CB 3.21Å; I453-L456 PolarHBondContact O-N 3.45Å; I453-I457 HydrophobicContact CG2-CD1 4.28Å; I453-I457 HydrophobicContact CG2-CG1 4.42Å; I453-I457 WeakPolarHBondContact O-CG1 3.18Å; I453-I457 PolarHBondContact O-N 2.97Å; I453-I457 VanDerWaalsContact O-N 3.11Å
454T73Confident82.7Confident16 Ų1631.2 Ų31.210%0.09817%0.166CC..Hα-helixtrans-59.6-40.4179.7-59.40000111.2M98 P305 L450 E451 L456 I457 S458M98-T454 HydrophobicContact CE-CG2 3.74Å; M98-T454 HydrophobicContact SD-CG2 3.94Å; P305-T454 HydrophobicContact CG-CG2 3.67Å; L450-T454 WeakPolarHBondContact O-CB 3.4Å; L450-T454 PolarHBondContact O-N 3.26Å; L450-T454 PolarHBondContact O-OG1 3.5Å; E451-T454 PolarHBondContact O-N 2.88Å; T454-L456 VanDerWaalsContact C-N 3.29Å; T454-L456 PolarHBondContact O-N 3.46Å; T454-I457 PolarHBondContact O-N 3.24Å; T454-S458 PolarHBondContact O-N 3.18Å
455A78.6Confident83Confident18 Ų1830.4 Ų30.415%0.14916%0.161CC..Hα-helixtrans-60.1-38.117600000112.7E451 I453 Q459 F513E451-A455 PolarHBondContact O-N 2.87Å; I453-A455 VanDerWaalsContact C-N 3.29Å; I453-A455 PolarHBondContact O-N 3.42Å; A455-Q459 WeakPolarHBondContact O-CG 3.17Å; A455-Q459 PolarHBondContact O-NE2 3.1Å; A455-F513 HydrophobicContact CB-CD2 3.81Å; A455-F513 HydrophobicContact CB-CE2 4.07Å
456L82Confident83.3Confident40 Ų4031.5 Ų31.521%0.20917%0.166CC..Hα-helixtrans-70-40.8177.7-177.365.6000112.2I453 T454 S458 Q459 F460 F513I453-L456 WeakPolarHBondContact O-CB 3.21Å; I453-L456 PolarHBondContact O-N 3.45Å; T454-L456 VanDerWaalsContact C-N 3.29Å; T454-L456 PolarHBondContact O-N 3.46Å; L456-S458 VanDerWaalsContact C-N 3.32Å; L456-S458 PolarHBondContact O-N 3.08Å; L456-Q459 PolarHBondContact O-N 3.27Å; L456-Q459 VanDerWaalsContact O-N 3.13Å; L456-F460 HydrophobicContact CD1-CE1 3.91Å; L456-F460 HydrophobicContact CD1-CE2 4.35Å; L456-F460 HydrophobicContact CD1-CZ 3.72Å; L456-F460 HydrophobicContact CD2-CE2 4.23Å; L456-F460 HydrophobicContact CD2-CZ 4.15Å; L456-F460 HydrophobicContact CG-CE1 4.4Å; L456-F460 HydrophobicContact CG-CE2 3.97Å; L456-F460 HydrophobicContact CG-CZ 3.85Å; L456-F460 PolarHBondContact O-N 3.02Å; L456-F513 HydrophobicContact CB-CD1 4.49Å; L456-F513 HydrophobicContact CD1-CD1 4.3Å
457I88.2Confident83.5Confident4 Ų427.5 Ų27.52%0.02115%0.146CC..Hα-helixtrans-56.2-47.1178-64.3167.8000110.9A91 I94 A95 I453 T454 Q459 F460 F461A91-I457 HydrophobicContact CB-CG2 4.44Å; I94-I457 HydrophobicContact CB-CD1 4.06Å; I94-I457 HydrophobicContact CB-CG1 3.97Å; I94-I457 HydrophobicContact CG2-CD1 3.42Å; I94-I457 VanDerWaalsContact CG2-CD1 3.42Å; I94-I457 HydrophobicContact CG2-CG1 3.57Å; A95-I457 HydrophobicContact CB-CG2 4.28Å; I453-I457 HydrophobicContact CG2-CD1 4.28Å; I453-I457 HydrophobicContact CG2-CG1 4.42Å; I453-I457 WeakPolarHBondContact O-CG1 3.18Å; I453-I457 PolarHBondContact O-N 2.97Å; I453-I457 VanDerWaalsContact O-N 3.11Å; T454-I457 PolarHBondContact O-N 3.24Å; I457-Q459 PolarHBondContact O-N 3.38Å; I457-F460 PolarHBondContact O-N 3.39Å; I457-F461 HydrophobicContact CG2-CD2 3.54Å; I457-F461 HydrophobicContact CG2-CE2 3.34Å; I457-F461 WeakPolarHBondContact O-CD2 3.5Å; I457-F461 PolarHBondContact O-N 2.91Å; I457-F461 VanDerWaalsContact O-N 3.1Å
458S90.1Very high84Confident0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-56.8-38.9178.5-66.90000112.2P305 T454 L456 F460 F461 L462P305-S458 WeakPolarHBondContact CD-OG 3.34Å; P305-S458 WeakPolarHBondContact CG-OG 3.34Å; T454-S458 PolarHBondContact O-N 3.18Å; L456-S458 VanDerWaalsContact C-N 3.32Å; L456-S458 PolarHBondContact O-N 3.08Å; S458-F460 PolarHBondContact O-N 2.76Å; S458-F461 PolarHBondContact O-N 2.98Å; S458-L462 WeakPolarHBondContact O-CB 3.25Å; S458-L462 WeakPolarHBondContact O-CD1 3.39Å; S458-L462 VanDerWaalsContact O-CG 3.3Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 2.89Å
459Q93.3Very high85.3Confident0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-66.8-38.9-179.7-50.5-40-40.500112.3A455 L456 I457 M463 M506 S509 F513 S514 A517A455-Q459 WeakPolarHBondContact O-CG 3.17Å; A455-Q459 PolarHBondContact O-NE2 3.1Å; L456-Q459 PolarHBondContact O-N 3.27Å; L456-Q459 VanDerWaalsContact O-N 3.13Å; I457-Q459 PolarHBondContact O-N 3.38Å; Q459-M463 WeakPolarHBondContact O-CB 3.5Å; Q459-M463 PolarHBondContact O-N 3.1Å; Q459-M506 HydrophobicContact CB-CE 4.41Å; Q459-S509 PolarHBondContact NE2-OG 3.18Å; Q459-F513 HydrophobicContact CG-CB 4Å; Q459-S514 PolarHBondContact OE1-OG 3.01Å; Q459-S514 VanDerWaalsContact OE1-OG 3.07Å; Q459-A517 HydrophobicContact CB-CB 3.74Å
460F94.2Very high86.7Confident8 Ų817.8 Ų17.84%0.03510%0.104CC..Hα-helixtrans-69.5-39.1177.2-65-16.7000112.3L87 L90 A91 L456 I457 S458 C464 A517 I520L87-F460 HydrophobicContact CB-CB 4.32Å; L87-F460 HydrophobicContact CB-CD1 4.23Å; L87-F460 HydrophobicContact CB-CG 4.18Å; L87-F460 HydrophobicContact CD1-CD1 4.35Å; L87-F460 HydrophobicContact CD2-CD1 4.01Å; L87-F460 HydrophobicContact CD2-CE1 3.75Å; L87-F460 HydrophobicContact CD2-CE2 4.41Å; L87-F460 HydrophobicContact CD2-CG 4.46Å; L87-F460 HydrophobicContact CD2-CZ 3.96Å; L87-F460 HydrophobicContact CG-CD1 4.44Å; L90-F460 HydrophobicContact CB-CE2 4.49Å; A91-F460 HydrophobicContact CB-CB 3.55Å; A91-F460 HydrophobicContact CB-CD2 4.19Å; A91-F460 HydrophobicContact CB-CG 4.41Å; L456-F460 HydrophobicContact CD1-CE1 3.91Å; L456-F460 HydrophobicContact CD1-CE2 4.35Å; L456-F460 HydrophobicContact CD1-CZ 3.72Å; L456-F460 HydrophobicContact CD2-CE2 4.23Å; L456-F460 HydrophobicContact CD2-CZ 4.15Å; L456-F460 HydrophobicContact CG-CE1 4.4Å; L456-F460 HydrophobicContact CG-CE2 3.97Å; L456-F460 HydrophobicContact CG-CZ 3.85Å; L456-F460 PolarHBondContact O-N 3.02Å; I457-F460 PolarHBondContact O-N 3.39Å; S458-F460 PolarHBondContact O-N 2.76Å; F460-C464 PolarHBondContact O-N 3.26Å; F460-A517 HydrophobicContact CD1-CB 3.89Å; F460-A517 HydrophobicContact CE1-CB 3.76Å; F460-I520 HydrophobicContact CE1-CD1 4.45Å; F460-I520 HydrophobicContact CZ-CD1 4.22Å
461F94.9Very high88.1Confident1 Ų115.9 Ų15.90%0.0049%0.094CC..Hα-helixtrans-64-46.8172.5-79.5-62.5000111.9F88 A91 A95 F304 T308 I457 S458 M463 C464 Y465F88-F461 AromaticContact CD2-CD1 3.66Å; F88-F461 HydrophobicContact CD2-CD1 3.66Å; F88-F461 AromaticContact CD2-CE1 3.76Å; F88-F461 HydrophobicContact CD2-CE1 3.76Å; F88-F461 AromaticContact CE2-CD1 3.44Å; F88-F461 HydrophobicContact CE2-CD1 3.44Å; F88-F461 VanDerWaalsContact CE2-CD1 3.44Å; F88-F461 AromaticContact CE2-CE1 3.35Å; F88-F461 HydrophobicContact CE2-CE1 3.35Å; F88-F461 HydrophobicContact CZ-CE1 4.34Å; A91-F461 HydrophobicContact CB-CD1 4.44Å; A91-F461 HydrophobicContact CB-CD2 4.05Å; A91-F461 HydrophobicContact CB-CE1 4.3Å; A91-F461 HydrophobicContact CB-CE2 3.91Å; A91-F461 HydrophobicContact CB-CG 4.31Å; A91-F461 HydrophobicContact CB-CZ 4.03Å; A95-F461 HydrophobicContact CB-CE2 4.08Å; A95-F461 HydrophobicContact CB-CZ 4.22Å; F304-F461 HydrophobicContact CE1-CB 4.49Å; T308-F461 HydrophobicContact CG2-CB 3.99Å; T308-F461 HydrophobicContact CG2-CD2 3.83Å; T308-F461 HydrophobicContact CG2-CE2 4.45Å; T308-F461 HydrophobicContact CG2-CG 3.9Å; I457-F461 HydrophobicContact CG2-CD2 3.54Å; I457-F461 HydrophobicContact CG2-CE2 3.34Å; I457-F461 WeakPolarHBondContact O-CD2 3.5Å; I457-F461 PolarHBondContact O-N 2.91Å; I457-F461 VanDerWaalsContact O-N 3.1Å; S458-F461 PolarHBondContact O-N 2.98Å; F461-M463 VanDerWaalsContact C-N 3.3Å; F461-M463 PolarHBondContact O-N 3.09Å; F461-C464 WeakPolarHBondContact O-CB 3.42Å; F461-C464 PolarHBondContact O-N 3.06Å; F461-C464 VanDerWaalsContact O-N 3.12Å; F461-Y465 WeakPolarHBondContact O-CD1 3.49Å; F461-Y465 VanDerWaalsContact O-CG 3.29Å; F461-Y465 PolarHBondContact O-N 3.43Å
462L95.7Very high89.4Confident0 Ų012.3 Ų12.30%08%0.077CC..Hα-helixtrans-62.2-37.2178.1-77.1163.3000112.3V46 F304 S458 C464 Y465 M466 C502 V505 M506V46-L462 HydrophobicContact CG1-CD2 4Å; F304-L462 HydrophobicContact CD1-CD1 4.25Å; F304-L462 HydrophobicContact CD1-CD2 4.5Å; F304-L462 HydrophobicContact CD1-CG 4.16Å; F304-L462 HydrophobicContact CE1-CD1 4.08Å; F304-L462 HydrophobicContact CE1-CD2 3.69Å; F304-L462 HydrophobicContact CE1-CG 3.5Å; F304-L462 VanDerWaalsContact CE1-CG 3.5Å; F304-L462 HydrophobicContact CE2-CD2 3.75Å; F304-L462 HydrophobicContact CE2-CG 4.42Å; F304-L462 HydrophobicContact CZ-CD1 4.4Å; F304-L462 HydrophobicContact CZ-CD2 3.24Å; F304-L462 HydrophobicContact CZ-CG 3.66Å; S458-L462 WeakPolarHBondContact O-CB 3.25Å; S458-L462 WeakPolarHBondContact O-CD1 3.39Å; S458-L462 VanDerWaalsContact O-CG 3.3Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 2.89Å; L462-C464 VanDerWaalsContact C-N 3.32Å; L462-C464 PolarHBondContact O-N 3.24Å; L462-Y465 PolarHBondContact O-N 3.38Å; L462-M466 VanDerWaalsContact O-CB 3.22Å; L462-M466 WeakPolarHBondContact O-CB 3.3Å; L462-M466 PolarHBondContact O-N 3.12Å; L462-C502 HydrophobicContact CD2-CB 4.25Å; L462-V505 HydrophobicContact CD1-CG1 3.86Å; L462-V505 HydrophobicContact CD2-CB 4.38Å; L462-V505 HydrophobicContact CD2-CG1 4.12Å; L462-M506 HydrophobicContact CB-CG 3.35Å; L462-M506 HydrophobicContact CB-SD 3.77Å; L462-M506 HydrophobicContact CD1-CB 4.33Å; L462-M506 HydrophobicContact CD1-CG 3.5Å; L462-M506 HydrophobicContact CG-CG 3.96Å
463M95.1Very high90.8Very high9 Ų99.7 Ų9.74%0.0446%0.059CC..Hα-helixtrans-63.8-38.3174.5-171.6173.8-65.100112.1V84 L87 Q459 F461 M466 S467 M506 A517 F518V84-M463 HydrophobicContact CG2-CG 4.47Å; L87-M463 HydrophobicContact CD1-CE 4.49Å; L87-M463 HydrophobicContact CD1-SD 3.5Å; L87-M463 VanDerWaalsContact CD1-SD 3.5Å; Q459-M463 WeakPolarHBondContact O-CB 3.5Å; Q459-M463 PolarHBondContact O-N 3.1Å; F461-M463 VanDerWaalsContact C-N 3.3Å; F461-M463 PolarHBondContact O-N 3.09Å; M463-M466 HydrophobicContact CG-CE 4.27Å; M463-S467 WeakPolarHBondContact O-CB 3.48Å; M463-S467 PolarHBondContact O-N 3.37Å; M463-S467 PolarHBondContact O-OG 2.84Å; M463-M506 HydrophobicContact CE-CE 4.31Å; M463-A517 HydrophobicContact CE-CB 3.99Å; M463-F518 HydrophobicContact CE-CD1 3.82Å; M463-F518 HydrophobicContact CE-CE1 4.13Å; M463-F518 HydrophobicContact CE-CG 4.04Å
464C95.8Very high91.9Very high1 Ų110.7 Ų10.71%0.0077%0.065CC..Hα-helixtrans-62.7-47.4172.2-172.60000111.7V84 F88 F460 F461 L462 S467 V468V84-C464 HydrophobicContact CG1-CB 4.04Å; F88-C464 HydrophobicContact CB-CB 4.22Å; F88-C464 HydrophobicContact CD2-CB 3.9Å; F88-C464 HydrophobicContact CG-CB 4.2Å; F460-C464 PolarHBondContact O-N 3.26Å; F461-C464 WeakPolarHBondContact O-CB 3.42Å; F461-C464 PolarHBondContact O-N 3.06Å; F461-C464 VanDerWaalsContact O-N 3.12Å; L462-C464 VanDerWaalsContact C-N 3.32Å; L462-C464 PolarHBondContact O-N 3.24Å; C464-S467 PolarHBondContact O-N 3.48Å; C464-V468 WeakPolarHBondContact O-CG2 3.31Å; C464-V468 PolarHBondContact O-N 3.15Å
465Y97Very high92.7Very high0 Ų010.1 Ų10.10%06%0.061CC..Hα-helixtrans-65.5-42.7-179.3-62.8-6.9000112.2V46 T47 T50 F304 T308 I310 M311 F461 L462 S467 V468 N469V46-Y465 HydrophobicContact CG1-CD2 4.17Å; T47-Y465 HydrophobicContact CG2-CE2 4.01Å; T50-Y465 HydrophobicContact CG2-CD1 3.84Å; T50-Y465 HydrophobicContact CG2-CG 3.78Å; F304-Y465 HydrophobicContact CE1-CE2 4.21Å; F304-Y465 AromaticContact CZ-CD2 3.96Å; F304-Y465 HydrophobicContact CZ-CD2 3.96Å; F304-Y465 AromaticContact CZ-CE2 3.8Å; F304-Y465 HydrophobicContact CZ-CE2 3.8Å; T308-Y465 WeakPolarHBondContact CA-OH 3.38Å; T308-Y465 WeakPolarHBondContact CB-OH 3.49Å; T308-Y465 PolarHBondContact O-OH 2.75Å; I310-Y465 HydrophobicContact CD1-CE1 4.2Å; I310-Y465 HydrophobicContact CD1-CE2 4.42Å; I310-Y465 HydrophobicContact CG1-CE1 4.25Å; M311-Y465 HydrophobicContact CE-CD1 3.39Å; M311-Y465 HydrophobicContact CE-CE1 3.6Å; M311-Y465 HydrophobicContact CG-CE1 4.2Å; M311-Y465 HydrophobicContact SD-CD1 3.95Å; M311-Y465 HydrophobicContact SD-CE1 3.6Å; F461-Y465 WeakPolarHBondContact O-CD1 3.49Å; F461-Y465 VanDerWaalsContact O-CG 3.29Å; F461-Y465 PolarHBondContact O-N 3.43Å; L462-Y465 PolarHBondContact O-N 3.38Å; Y465-S467 VanDerWaalsContact C-N 3.28Å; Y465-S467 PolarHBondContact O-N 3.41Å; Y465-V468 PolarHBondContact O-N 2.88Å; Y465-N469 WeakPolarHBondContact O-CB 3.4Å; Y465-N469 PolarHBondContact O-N 2.88Å; Y465-N469 PolarHBondContact O-ND2 2.78Å; Y465-N469 VanDerWaalsContact O-ND2 3.12Å
466M96.9Very high93.3Very high25 Ų2510.3 Ų10.312%0.1236%0.061CC..Hα-helixtrans-57.3-44173.1-177.2-174.565.600110.7L462 M463 N469 A470 C502 M503 F518L462-M466 VanDerWaalsContact O-CB 3.22Å; L462-M466 WeakPolarHBondContact O-CB 3.3Å; L462-M466 PolarHBondContact O-N 3.12Å; M463-M466 HydrophobicContact CG-CE 4.27Å; M466-N469 PolarHBondContact O-N 3.2Å; M466-A470 WeakPolarHBondContact O-CB 3.45Å; M466-A470 PolarHBondContact O-N 2.96Å; M466-C502 HydrophobicContact CB-CB 3.81Å; M466-C502 HydrophobicContact CG-CB 4.44Å; M466-M503 HydrophobicContact SD-CB 4.5Å; M466-M503 HydrophobicContact SD-CE 3.8Å; M466-F518 HydrophobicContact CE-CE1 3.85Å; M466-F518 HydrophobicContact CE-CZ 3.96Å; M466-F518 HydrophobicContact SD-CZ 4.3Å
467S95.8Very high93.7Very high7 Ų712.8 Ų12.85%0.0497%0.074CC..Hα-helixtrans-68-39.7-179.6-59.70000112.6V84 M463 C464 Y465 A471V84-S467 WeakPolarHBondContact CG2-OG 3.3Å; M463-S467 WeakPolarHBondContact O-CB 3.48Å; M463-S467 PolarHBondContact O-N 3.37Å; M463-S467 PolarHBondContact O-OG 2.84Å; C464-S467 PolarHBondContact O-N 3.48Å; Y465-S467 VanDerWaalsContact C-N 3.28Å; Y465-S467 PolarHBondContact O-N 3.41Å; S467-A471 VanDerWaalsContact O-CB 3.22Å; S467-A471 WeakPolarHBondContact O-CB 3.4Å; S467-A471 PolarHBondContact O-N 3.31Å
468V95.7Very high93.5Very high0 Ų015.1 Ų15.10%09%0.086CC..Hα-helixtrans-62.1-46173.3167.10000111.1T50 L54 I57 I72 M311 C464 Y465 A471 C472T50-V468 HydrophobicContact CG2-CG1 4.37Å; L54-V468 HydrophobicContact CB-CG1 4.48Å; I57-V468 HydrophobicContact CD1-CG1 4Å; I72-V468 HydrophobicContact CD1-CG2 3.98Å; I72-V468 HydrophobicContact CG1-CG2 3.87Å; M311-V468 HydrophobicContact CE-CB 4.48Å; M311-V468 HydrophobicContact CE-CG2 3.82Å; C464-V468 WeakPolarHBondContact O-CG2 3.31Å; C464-V468 PolarHBondContact O-N 3.15Å; Y465-V468 PolarHBondContact O-N 2.88Å; V468-A471 PolarHBondContact O-N 3.28Å; V468-C472 PolarHBondContact O-N 3.43Å; V468-C472 PolarHBondContact O-SG 2.83Å
469N97Very high93.3Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-64.8-47.3177.7-76.3-34.8000111.7T50 S53 Y465 M466 A471 C472 A473 S495 A499T50-N469 WeakPolarHBondContact CA-OD1 3.15Å; T50-N469 PolarHBondContact OG1-ND2 3.25Å; S53-N469 WeakPolarHBondContact CB-OD1 3.49Å; S53-N469 PolarHBondContact OG-OD1 2.96Å; Y465-N469 WeakPolarHBondContact O-CB 3.4Å; Y465-N469 PolarHBondContact O-N 2.88Å; Y465-N469 PolarHBondContact O-ND2 2.78Å; Y465-N469 VanDerWaalsContact O-ND2 3.12Å; M466-N469 PolarHBondContact O-N 3.2Å; N469-A471 VanDerWaalsContact C-N 3.33Å; N469-A471 PolarHBondContact O-N 3.22Å; N469-C472 PolarHBondContact O-N 3.13Å; N469-A473 PolarHBondContact O-N 3.04Å; N469-S495 WeakPolarHBondContact CB-O 3.42Å; N469-S495 WeakPolarHBondContact O-CB 3.35Å; N469-A499 HydrophobicContact CB-CB 3.84Å
470A94.9Very high92.7Very high37 Ų3724.6 Ų24.631%0.30613%0.13SC..Hα-helixtrans-62.4-38.9177.700000112.1M466 A473 L474M466-A470 WeakPolarHBondContact O-CB 3.45Å; M466-A470 PolarHBondContact O-N 2.96Å; A470-A473 PolarHBondContact O-N 3.36Å; A470-L474 VanDerWaalsContact O-CB 3.25Å; A470-L474 WeakPolarHBondContact O-CB 3.33Å; A470-L474 PolarHBondContact O-N 3.46Å
471A92.4Very high92.1Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-58.4-49.1175.200000111.8I57 N75 L76 S467 V468 N469 Q475I57-A471 HydrophobicContact CD1-CB 4.38Å; N75-A471 HydrophobicContact CB-CB 4.02Å; L76-A471 HydrophobicContact CD1-CB 3.74Å; L76-A471 HydrophobicContact CD2-CB 4.26Å; L76-A471 HydrophobicContact CG-CB 3.72Å; S467-A471 VanDerWaalsContact O-CB 3.22Å; S467-A471 WeakPolarHBondContact O-CB 3.4Å; S467-A471 PolarHBondContact O-N 3.31Å; V468-A471 PolarHBondContact O-N 3.28Å; N469-A471 VanDerWaalsContact C-N 3.33Å; N469-A471 PolarHBondContact O-N 3.22Å; A471-Q475 WeakPolarHBondContact O-CB 3.02Å; A471-Q475 WeakPolarHBondContact O-CG 3.11Å; A471-Q475 PolarHBondContact O-N 2.81Å; A471-Q475 VanDerWaalsContact O-N 3.08Å
472C94Very high91.5Very high0 Ų032.8 Ų32.80%019%0.186CC..Hα-helixtrans-61.8-47.3178.4-64.20000111.9S53 I57 V468 N469 S476 W483 Y490 S495S53-C472 VanDerWaalsContact CB-SG 3.54Å; S53-C472 PolarHBondContact O-SG 3.47Å; I57-C472 WeakPolarHBondContact CD1-SG 3.32Å; I57-C472 WeakPolarHBondContact CG1-SG 3.34Å; V468-C472 PolarHBondContact O-N 3.43Å; V468-C472 PolarHBondContact O-SG 2.83Å; N469-C472 PolarHBondContact O-N 3.13Å; C472-S476 WeakPolarHBondContact O-CB 3.48Å; C472-S476 PolarHBondContact O-N 2.76Å; C472-S476 VanDerWaalsContact O-N 3.1Å; C472-S476 PolarHBondContact O-OG 3.08Å; C472-W483 HydrophobicContact CB-CH2 4.21Å; C472-W483 HydrophobicContact CB-CZ2 4.22Å; C472-Y490 VanDerWaalsContact C-OH 3.28Å; C472-Y490 HydrophobicContact CB-CE2 3.88Å; C472-Y490 WeakPolarHBondContact CB-OH 3.42Å; C472-Y490 PolarHBondContact O-OH 2.91Å; C472-S495 WeakPolarHBondContact CB-OG 3.42Å
473A94.4Very high91.1Very high1 Ų134 Ų341%0.00819%0.191CC..Hα-helixtrans-62.1-49.1-178.700000111.6N469 A470 Q475 S476 I477 M496N469-A473 PolarHBondContact O-N 3.04Å; A470-A473 PolarHBondContact O-N 3.36Å; A473-Q475 PolarHBondContact O-N 3.04Å; A473-S476 PolarHBondContact O-N 2.98Å; A473-I477 WeakPolarHBondContact O-CB 3.25Å; A473-I477 WeakPolarHBondContact O-CD1 3.47Å; A473-I477 VanDerWaalsContact O-CG1 3.23Å; A473-I477 WeakPolarHBondContact O-CG1 3.39Å; A473-I477 PolarHBondContact O-N 2.98Å; A473-M496 HydrophobicContact CB-CG 3.59Å; A473-M496 HydrophobicContact CB-SD 3.42Å; A473-M496 WeakPolarHBondContact CB-SD 3.46Å
474L90.7Very high90.9Very high58 Ų5842.3 Ų42.330%0.30422%0.221SC..Hα-helixtrans-60.8-48.2-179.5-177.364.1000111.4L76 A470 S476 I477 L478L76-L474 HydrophobicContact CD2-CD2 3.65Å; A470-L474 VanDerWaalsContact O-CB 3.25Å; A470-L474 WeakPolarHBondContact O-CB 3.33Å; A470-L474 PolarHBondContact O-N 3.46Å; L474-S476 VanDerWaalsContact C-N 3.29Å; L474-S476 PolarHBondContact O-N 3.47Å; L474-I477 PolarHBondContact O-N 3.26Å; L474-L478 HydrophobicContact CD1-CD1 3.82Å; L474-L478 HydrophobicContact CD1-CG 4.01Å; L474-L478 HydrophobicContact CD2-CD1 4.49Å; L474-L478 HydrophobicContact CG-CD1 3.82Å; L474-L478 HydrophobicContact CG-CG 4.32Å; L474-L478 WeakPolarHBondContact O-CB 2.94Å; L474-L478 VanDerWaalsContact O-CG 3.24Å; L474-L478 WeakPolarHBondContact O-CG 3.31Å; L474-L478 PolarHBondContact O-N 2.85Å
475Q89.6Confident90.7Very high3 Ų344 Ų441%0.01423%0.233CC..Hα-helixtrans-62.8-36.8-179.3-70-69-1000112.6N75 A471 A473 K479 A480 W483N75-Q475 HydrophobicContact CB-CG 4.22Å; N75-Q475 PolarHBondContact O-NE2 3.45Å; A471-Q475 WeakPolarHBondContact O-CB 3.02Å; A471-Q475 WeakPolarHBondContact O-CG 3.11Å; A471-Q475 PolarHBondContact O-N 2.81Å; A471-Q475 VanDerWaalsContact O-N 3.08Å; A473-Q475 PolarHBondContact O-N 3.04Å; Q475-K479 PolarHBondContact O-N 2.6Å; Q475-A480 PolarHBondContact O-N 3.36Å; Q475-W483 HydrophobicContact CB-CB 4.2Å; Q475-W483 HydrophobicContact CB-CD2 3.64Å; Q475-W483 HydrophobicContact CB-CE3 3.69Å; Q475-W483 HydrophobicContact CB-CG 3.85Å; Q475-W483 HydrophobicContact CB-CZ3 4.37Å; Q475-W483 HydrophobicContact CG-CE3 4.12Å
476S91.5Very high90.4Very high22 Ų2254.5 Ų54.515%0.15427%0.272CS..Hα-helixtrans-70.9-42175.7-64.70000113.1C472 A473 L474 K479 W483 Y490C472-S476 WeakPolarHBondContact O-CB 3.48Å; C472-S476 PolarHBondContact O-N 2.76Å; C472-S476 VanDerWaalsContact O-N 3.1Å; C472-S476 PolarHBondContact O-OG 3.08Å; A473-S476 PolarHBondContact O-N 2.98Å; L474-S476 VanDerWaalsContact C-N 3.29Å; L474-S476 PolarHBondContact O-N 3.47Å; S476-K479 PolarHBondContact O-N 3.45Å; S476-K479 VanDerWaalsContact O-N 3.16Å; S476-W483 PolarHBondContact OG-NE1 3.28Å; S476-Y490 WeakPolarHBondContact OG-CE1 3.48Å; S476-Y490 PolarHBondContact OG-OH 3.3Å
477I90.6Very high90.2Very high93 Ų9354.9 Ų54.948%0.47727%0.273SS..Hα-helixtrans-65.2-42.3178.2-69.9165.2000110.3A473 L474 K479 W492 M496A473-I477 WeakPolarHBondContact O-CB 3.25Å; A473-I477 WeakPolarHBondContact O-CD1 3.47Å; A473-I477 VanDerWaalsContact O-CG1 3.23Å; A473-I477 WeakPolarHBondContact O-CG1 3.39Å; A473-I477 PolarHBondContact O-N 2.98Å; L474-I477 PolarHBondContact O-N 3.26Å; I477-K479 PolarHBondContact O-N 3.46Å; I477-W492 HydrophobicContact CD1-CE3 4.05Å; I477-W492 HydrophobicContact CD1-CZ3 4.29Å; I477-W492 HydrophobicContact CG1-CD2 4.38Å; I477-W492 HydrophobicContact CG1-CE3 4.04Å; I477-M496 HydrophobicContact CD1-SD 4.37Å
478L84.9Confident89.9Confident53 Ų5365.5 Ų65.528%0.27731%0.312SS..THydrogen-bonded Turntrans-71.8-8.4176.9-65.1179.2000113.3L474 A480 L544L474-L478 HydrophobicContact CD1-CD1 3.82Å; L474-L478 HydrophobicContact CD1-CG 4.01Å; L474-L478 HydrophobicContact CD2-CD1 4.49Å; L474-L478 HydrophobicContact CG-CD1 3.82Å; L474-L478 HydrophobicContact CG-CG 4.32Å; L474-L478 WeakPolarHBondContact O-CB 2.94Å; L474-L478 VanDerWaalsContact O-CG 3.24Å; L474-L478 WeakPolarHBondContact O-CG 3.31Å; L474-L478 PolarHBondContact O-N 2.85Å; L478-A480 PolarHBondContact O-N 2.74Å; L478-L544 HydrophobicContact CD1-CB 4.33Å; L478-L544 HydrophobicContact CD2-CD1 3.93Å
479K84.6Confident89.7Confident181 Ų18173 Ų7379%0.78735%0.345SS*.THydrogen-bonded Turntrans4843.5-175.6-61.2-178.2179.5178.30112.1Q475 S476 I477Q475-K479 PolarHBondContact O-N 2.6Å; S476-K479 PolarHBondContact O-N 3.45Å; S476-K479 VanDerWaalsContact O-N 3.16Å; I477-K479 PolarHBondContact O-N 3.46Å
480A81Confident89.6Confident18 Ų1874.4 Ų74.415%0.14935%0.351CS..  trans-59.2129.8-176.500000110.4Q475 L478 S482 W483Q475-A480 PolarHBondContact O-N 3.36Å; L478-A480 PolarHBondContact O-N 2.74Å; A480-S482 PolarHBondContact O-N 3.08Å; A480-S482 VanDerWaalsContact O-N 3.09Å; A480-W483 HydrophobicContact CB-CB 4.15Å; A480-W483 WeakPolarHBondContact O-CB 3.48Å; A480-W483 PolarHBondContact O-N 3.12Å
481P81.9Confident89.6Confident105 Ų10577.2 Ų77.268%0.68236%0.357SS*.THydrogen-bonded Turntrans-60.9-23.6-177.8-26.934.7000114.7W483 R484P481-W483 VanDerWaalsContact C-N 3.33Å; P481-R484 PolarHBondContact O-NE 3.06Å; P481-R484 PolarHBondContact O-NH2 2.93Å; P481-R484 VanDerWaalsContact O-NH2 3.09Å
482S81.6Confident89.7Confident75 Ų7582.4 Ų82.452%0.52438%0.377SS..THydrogen-bonded Turntrans-78.7-14.6174.757.10000113.2N60 A480 R484N60-S482 PolarHBondContact ND2-O 3.4Å; N60-S482 PolarHBondContact OD1-O 2.72Å; N60-S482 VanDerWaalsContact OD1-O 3.05Å; A480-S482 PolarHBondContact O-N 3.08Å; A480-S482 VanDerWaalsContact O-N 3.09Å; S482-R484 PolarHBondContact O-N 2.93Å
483W88Confident89.8Confident26 Ų2685.6 Ų85.610%0.09840%0.397CS..  trans-88.599178.3-174.6-104.7000110.7A56 I57 N60 C472 Q475 S476 A480 P481 P485 Y490A56-W483 HydrophobicContact CB-CH2 4.37Å; A56-W483 HydrophobicContact CB-CZ2 4.25Å; I57-W483 HydrophobicContact CB-CH2 4.48Å; I57-W483 HydrophobicContact CG1-CH2 3.67Å; I57-W483 HydrophobicContact CG1-CZ3 3.94Å; N60-W483 HydrophobicContact CB-CE3 4.31Å; N60-W483 HydrophobicContact CB-CZ3 4.16Å; C472-W483 HydrophobicContact CB-CH2 4.21Å; C472-W483 HydrophobicContact CB-CZ2 4.22Å; Q475-W483 HydrophobicContact CB-CB 4.2Å; Q475-W483 HydrophobicContact CB-CD2 3.64Å; Q475-W483 HydrophobicContact CB-CE3 3.69Å; Q475-W483 HydrophobicContact CB-CG 3.85Å; Q475-W483 HydrophobicContact CB-CZ3 4.37Å; Q475-W483 HydrophobicContact CG-CE3 4.12Å; S476-W483 PolarHBondContact OG-NE1 3.28Å; A480-W483 HydrophobicContact CB-CB 4.15Å; A480-W483 WeakPolarHBondContact O-CB 3.48Å; A480-W483 PolarHBondContact O-N 3.12Å; P481-W483 VanDerWaalsContact C-N 3.33Å; W483-P485 HydrophobicContact CZ2-CB 4.36Å; W483-P485 HydrophobicContact CZ2-CG 4.13Å; W483-Y490 HydrophobicContact CZ2-CE1 4.01Å; W483-Y490 HydrophobicContact CZ2-CE2 4.49Å; W483-Y490 AromaticContact CZ2-CZ 3.87Å; W483-Y490 AromaticContact NE1-CE1 3.91Å
484R90.8Very high89.9Confident183 Ų18387.9 Ų87.969%0.69141%0.408SS*.  trans-135.463.6-179.6-56.3179.1-162.8171.12.5110.3N60 P481 S482 R486N60-R484 PolarHBondContact OD1-N 2.94Å; P481-R484 PolarHBondContact O-NE 3.06Å; P481-R484 PolarHBondContact O-NH2 2.93Å; P481-R484 VanDerWaalsContact O-NH2 3.09Å; S482-R484 PolarHBondContact O-N 2.93Å; R484-R486 PolarHBondContact O-N 3.37Å
485P91.8Very high90.1Very high38 Ų3885.1 Ų85.125%0.24739%0.394CS..  trans-60.1133177.327.3-34.6000109.7A56 W483 Y490A56-P485 HydrophobicContact CB-CB 4.06Å; W483-P485 HydrophobicContact CZ2-CB 4.36Å; W483-P485 HydrophobicContact CZ2-CG 4.13Å; P485-Y490 HydrophobicContact CB-CD1 4.4Å; P485-Y490 HydrophobicContact CG-CD1 3.86Å; P485-Y490 HydrophobicContact CG-CE1 4.15Å
486R90.7Very high90.5Very high220 Ų22089.1 Ų89.183%0.8341%0.414SS*.  trans-89.1-7.9174.7-55.4-173.2-163.8-179.94112.6T59 R484 R488T59-R486 PolarHBondContact OG1-N 3.07Å; T59-R486 VanDerWaalsContact OG1-N 3.15Å; R484-R486 PolarHBondContact O-N 3.37Å; R486-R488 PolarHBondContact O-N 3.06Å
487F92.1Very high90.8Very high33 Ų3393 Ų9315%0.14543%0.428CS..  trans-73.5114.3-178.5-171.4-112.8000111.5I52 T59 P328 L332 F489 Y490I52-F487 HydrophobicContact CB-CE1 4.48Å; I52-F487 HydrophobicContact CG1-CE1 4.34Å; I52-F487 HydrophobicContact CG2-CD1 4.32Å; I52-F487 HydrophobicContact CG2-CE1 3.96Å; T59-F487 HydrophobicContact CG2-CB 4.28Å; T59-F487 PolarHBondContact OG1-N 3.15Å; P328-F487 HydrophobicContact CB-CD2 4.21Å; P328-F487 HydrophobicContact CB-CE2 4.3Å; L332-F487 HydrophobicContact CD1-CE1 4.25Å; L332-F487 HydrophobicContact CD1-CE2 3.78Å; L332-F487 HydrophobicContact CD1-CZ 3.35Å; F487-F489 HydrophobicContact CD1-CB 4.45Å; F487-F489 HydrophobicContact CE1-CB 3.68Å; F487-F489 HydrophobicContact CE1-CD2 4.45Å; F487-F489 HydrophobicContact CE2-CD2 4.27Å; F487-F489 HydrophobicContact CZ-CB 3.93Å; F487-F489 AromaticContact CZ-CD2 3.85Å; F487-F489 HydrophobicContact CZ-CD2 3.85Å; F487-F489 HydrophobicContact CZ-CG 4.39Å; F487-F489 PolarHBondContact O-N 2.69Å; F487-Y490 WeakPolarHBondContact O-CB 3.37Å; F487-Y490 PolarHBondContact O-N 3.4Å
488R90.2Very high91.1Very high229 Ų22988.5 Ų88.586%0.86441%0.405SS*.THydrogen-bonded Turntrans-66.6-32.3-170.4-176.6177.8175.5179.1-0.9115R486 Y490R486-R488 PolarHBondContact O-N 3.06Å; R488-Y490 PolarHBondContact O-N 3.01Å
489F91.5Very high91.7Very high157 Ų15786.7 Ų86.769%0.68940%0.398SS*.THydrogen-bonded Turntrans-86.29.4-177.1-59.4-74.3000113.3F487F487-F489 HydrophobicContact CD1-CB 4.45Å; F487-F489 HydrophobicContact CE1-CB 3.68Å; F487-F489 HydrophobicContact CE1-CD2 4.45Å; F487-F489 HydrophobicContact CE2-CD2 4.27Å; F487-F489 HydrophobicContact CZ-CB 3.93Å; F487-F489 AromaticContact CZ-CD2 3.85Å; F487-F489 HydrophobicContact CZ-CD2 3.85Å; F487-F489 HydrophobicContact CZ-CG 4.39Å; F487-F489 PolarHBondContact O-N 2.69Å
490Y94.6Very high92.3Very high30 Ų3080.8 Ų80.812%0.11838%0.383CS..  trans-82.8134.7178.6174.8-105000111.9I52 A56 C472 S476 W483 P485 F487 R488 S495I52-Y490 HydrophobicContact CG2-CD2 4.33Å; A56-Y490 HydrophobicContact CB-CD1 4.15Å; A56-Y490 HydrophobicContact CB-CD2 3.23Å; A56-Y490 HydrophobicContact CB-CE2 3.67Å; A56-Y490 HydrophobicContact CB-CG 3.49Å; A56-Y490 VanDerWaalsContact CB-CG 3.49Å; C472-Y490 VanDerWaalsContact C-OH 3.28Å; C472-Y490 HydrophobicContact CB-CE2 3.88Å; C472-Y490 WeakPolarHBondContact CB-OH 3.42Å; C472-Y490 PolarHBondContact O-OH 2.91Å; S476-Y490 WeakPolarHBondContact OG-CE1 3.48Å; S476-Y490 PolarHBondContact OG-OH 3.3Å; W483-Y490 HydrophobicContact CZ2-CE1 4.01Å; W483-Y490 HydrophobicContact CZ2-CE2 4.49Å; W483-Y490 AromaticContact CZ2-CZ 3.87Å; W483-Y490 AromaticContact NE1-CE1 3.91Å; P485-Y490 HydrophobicContact CB-CD1 4.4Å; P485-Y490 HydrophobicContact CG-CD1 3.86Å; P485-Y490 HydrophobicContact CG-CE1 4.15Å; F487-Y490 WeakPolarHBondContact O-CB 3.37Å; F487-Y490 PolarHBondContact O-N 3.4Å; R488-Y490 PolarHBondContact O-N 3.01Å; Y490-S495 VanDerWaalsContact CE2-OG 3.27Å; Y490-S495 WeakPolarHBondContact CE2-OG 3.23Å
491H95Very high93Very high97 Ų9781.2 Ų81.245%0.44938%0.382SS..  trans-144.7145.7164.4-169.7-96.7000110.1T493 L494H491-T493 VanDerWaalsContact C-N 3.29Å; H491-T493 PolarHBondContact ND1-N 3.39Å; H491-T493 PolarHBondContact ND1-OG1 3.39Å; H491-T493 PolarHBondContact O-N 2.94Å; H491-L494 WeakPolarHBondContact O-CB 3.39Å; H491-L494 PolarHBondContact O-N 3.22Å; H491-L494 VanDerWaalsContact O-N 3.11Å
492W94.5Very high93.7Very high108 Ų10876.2 Ų76.241%0.40935%0.35SS..Hα-helixtrans-62.8-33-173.571-92.1000113.4I477 L494 S495 M496I477-W492 HydrophobicContact CD1-CE3 4.05Å; I477-W492 HydrophobicContact CD1-CZ3 4.29Å; I477-W492 HydrophobicContact CG1-CD2 4.38Å; I477-W492 HydrophobicContact CG1-CE3 4.04Å; W492-L494 PolarHBondContact O-N 3.39Å; W492-S495 PolarHBondContact O-N 2.85Å; W492-M496 HydrophobicContact CE3-CG 3.73Å; W492-M496 HydrophobicContact CZ3-CG 3.89Å; W492-M496 PolarHBondContact O-N 3.09Å
493T96.3Very high94.3Very high68 Ų6877 Ų7742%0.41735%0.346SS..Hα-helixtrans-62.7-33.7177.556.50000111.8H491 M496 F497H491-T493 VanDerWaalsContact C-N 3.29Å; H491-T493 PolarHBondContact ND1-N 3.39Å; H491-T493 PolarHBondContact ND1-OG1 3.39Å; H491-T493 PolarHBondContact O-N 2.94Å; T493-M496 PolarHBondContact O-N 3.36Å; T493-F497 WeakPolarHBondContact O-CB 3.34Å; T493-F497 PolarHBondContact O-N 3.17Å
494L95.6Very high94.6Very high48 Ų4877.6 Ų77.625%0.25136%0.357SS..Hα-helixtrans-69.7-38.2178.6-168.467.3000111.3T49 I52 H491 W492 F497 G498T49-L494 HydrophobicContact CG2-CD1 3.89Å; T49-L494 HydrophobicContact CG2-CG 4.17Å; I52-L494 HydrophobicContact CB-CD2 4.12Å; I52-L494 HydrophobicContact CD1-CD2 3.42Å; I52-L494 VanDerWaalsContact CD1-CD2 3.42Å; I52-L494 HydrophobicContact CG1-CD2 4.36Å; I52-L494 HydrophobicContact CG2-CD2 3.82Å; H491-L494 WeakPolarHBondContact O-CB 3.39Å; H491-L494 PolarHBondContact O-N 3.22Å; H491-L494 VanDerWaalsContact O-N 3.11Å; W492-L494 PolarHBondContact O-N 3.39Å; L494-F497 PolarHBondContact O-N 3.35Å; L494-G498 PolarHBondContact O-N 2.74Å
495S96.3Very high94.8Very high1 Ų168.9 Ų68.91%0.00732%0.324CS..Hα-helixtrans-68.5-39.8172.5-61.10000112.1S53 N469 C472 Y490 W492 G498 A499S53-S495 WeakPolarHBondContact OG-CB 3.36Å; S53-S495 PolarHBondContact OG-OG 3.21Å; N469-S495 WeakPolarHBondContact CB-O 3.42Å; N469-S495 WeakPolarHBondContact O-CB 3.35Å; C472-S495 WeakPolarHBondContact CB-OG 3.42Å; Y490-S495 VanDerWaalsContact CE2-OG 3.27Å; Y490-S495 WeakPolarHBondContact CE2-OG 3.23Å; W492-S495 PolarHBondContact O-N 2.85Å; S495-G498 PolarHBondContact O-N 3.17Å; S495-A499 WeakPolarHBondContact O-CB 3.29Å; S495-A499 PolarHBondContact O-N 3.2Å
496M97Very high94.8Very high87 Ų8767.1 Ų67.143%0.42931%0.313SS..Hα-helixtrans-61.3-45.1173.2-78.6-62-65.800111.7A473 I477 W492 T493 A499 A500A473-M496 HydrophobicContact CB-CG 3.59Å; A473-M496 HydrophobicContact CB-SD 3.42Å; A473-M496 WeakPolarHBondContact CB-SD 3.46Å; I477-M496 HydrophobicContact CD1-SD 4.37Å; W492-M496 HydrophobicContact CE3-CG 3.73Å; W492-M496 HydrophobicContact CZ3-CG 3.89Å; W492-M496 PolarHBondContact O-N 3.09Å; T493-M496 PolarHBondContact O-N 3.36Å; M496-A499 PolarHBondContact O-N 3.15Å; M496-A500 WeakPolarHBondContact O-CB 3.3Å; M496-A500 PolarHBondContact O-N 3.34Å
497F97.4Very high95Very high102 Ų10261 Ų6145%0.44729%0.292SS..Hα-helixtrans-60.3-45.3174.5176.4-107.5000111.4T49 T493 L494 A499 A500 L501T49-F497 HydrophobicContact CG2-CD1 3.94Å; T49-F497 HydrophobicContact CG2-CE1 4.3Å; T493-F497 WeakPolarHBondContact O-CB 3.34Å; T493-F497 PolarHBondContact O-N 3.17Å; L494-F497 PolarHBondContact O-N 3.35Å; F497-A499 PolarHBondContact O-N 3.43Å; F497-A500 PolarHBondContact O-N 2.65Å; F497-L501 HydrophobicContact CE1-CD2 4.37Å; F497-L501 HydrophobicContact CZ-CD1 4.34Å; F497-L501 VanDerWaalsContact O-CB 3.29Å; F497-L501 WeakPolarHBondContact O-CB 3.08Å; F497-L501 PolarHBondContact O-N 3.36Å
498G97.4Very high94.8Very high0 Ų063.8 Ų63.80%031%0.307CS..Hα-helixtrans-60.4-41.2175.300000113.3T49 L494 S495 L501 C502T49-G498 WeakPolarHBondContact OG1-CA 3.02Å; L494-G498 PolarHBondContact O-N 2.74Å; S495-G498 PolarHBondContact O-N 3.17Å; G498-L501 PolarHBondContact O-N 3.14Å; G498-C502 WeakPolarHBondContact O-CB 3.38Å; G498-C502 PolarHBondContact O-N 3.2Å; G498-C502 PolarHBondContact O-SG 3.09Å
499A97.2Very high94.6Very high14 Ų1453.4 Ų53.412%0.11627%0.269CS..Hα-helixtrans-64.5-44.4175.800000111.9N469 S495 M496 F497 C502 M503N469-A499 HydrophobicContact CB-CB 3.84Å; S495-A499 WeakPolarHBondContact O-CB 3.29Å; S495-A499 PolarHBondContact O-N 3.2Å; M496-A499 PolarHBondContact O-N 3.15Å; F497-A499 PolarHBondContact O-N 3.43Å; A499-C502 PolarHBondContact O-N 2.87Å; A499-M503 PolarHBondContact O-N 3.05Å
500A97.4Very high94.4Very high58 Ų5849.2 Ų49.248%0.47925%0.252SS..Hα-helixtrans-63.8-41.4175.900000111.9M496 F497 M503 A504M496-A500 WeakPolarHBondContact O-CB 3.3Å; M496-A500 PolarHBondContact O-N 3.34Å; F497-A500 PolarHBondContact O-N 2.65Å; A500-M503 PolarHBondContact O-N 3.4Å; A500-A504 WeakPolarHBondContact O-CB 3.34Å; A500-A504 PolarHBondContact O-N 3.2Å
501L96Very high94.1Very high26 Ų2655.1 Ų55.114%0.13627%0.274CS..Hα-helixtrans-65.9-41.2177.2-165.675.9000111.5L45 V46 F497 G498 M503 A504 V505L45-L501 HydrophobicContact CB-CD2 3.86Å; V46-L501 HydrophobicContact CB-CD2 4.11Å; V46-L501 HydrophobicContact CG2-CB 4.29Å; V46-L501 HydrophobicContact CG2-CD2 3.34Å; V46-L501 HydrophobicContact CG2-CG 3.54Å; F497-L501 HydrophobicContact CE1-CD2 4.37Å; F497-L501 HydrophobicContact CZ-CD1 4.34Å; F497-L501 VanDerWaalsContact O-CB 3.29Å; F497-L501 WeakPolarHBondContact O-CB 3.08Å; F497-L501 PolarHBondContact O-N 3.36Å; G498-L501 PolarHBondContact O-N 3.14Å; L501-M503 VanDerWaalsContact C-N 3.33Å; L501-M503 PolarHBondContact O-N 3.02Å; L501-A504 PolarHBondContact O-N 2.77Å; L501-V505 WeakPolarHBondContact O-CB 3.31Å; L501-V505 VanDerWaalsContact O-CG2 3.3Å; L501-V505 WeakPolarHBondContact O-CG2 3.47Å; L501-V505 PolarHBondContact O-N 2.9Å
502C96.3Very high94Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-58.3-47.3173.1-67.40000110.8L462 M466 G498 A499 V505 M506L462-C502 HydrophobicContact CD2-CB 4.25Å; M466-C502 HydrophobicContact CB-CB 3.81Å; M466-C502 HydrophobicContact CG-CB 4.44Å; G498-C502 WeakPolarHBondContact O-CB 3.38Å; G498-C502 PolarHBondContact O-N 3.2Å; G498-C502 PolarHBondContact O-SG 3.09Å; A499-C502 PolarHBondContact O-N 2.87Å; C502-V505 PolarHBondContact O-N 2.77Å; C502-M506 VanDerWaalsContact O-CG 3.26Å; C502-M506 WeakPolarHBondContact O-CG 3.26Å; C502-M506 PolarHBondContact O-N 2.84Å
503M95.1Very high93.7Very high91 Ų9151.9 Ų51.945%0.44827%0.265SS..Hα-helixtrans-62.7-44.9178.6-170.5175.1-64.500111.7M466 A499 A500 L501 M506 F507M466-M503 HydrophobicContact SD-CB 4.5Å; M466-M503 HydrophobicContact SD-CE 3.8Å; A499-M503 PolarHBondContact O-N 3.05Å; A500-M503 PolarHBondContact O-N 3.4Å; L501-M503 VanDerWaalsContact C-N 3.33Å; L501-M503 PolarHBondContact O-N 3.02Å; M503-M506 PolarHBondContact O-N 3.28Å; M503-F507 HydrophobicContact CG-CD2 4.32Å; M503-F507 HydrophobicContact CG-CE2 4.35Å; M503-F507 WeakPolarHBondContact O-CD2 3.35Å; M503-F507 PolarHBondContact O-N 2.98Å
504A94.4Very high93.5Very high39 Ų3948.6 Ų48.632%0.32225%0.245SC..Hα-helixtrans-60-48.1176.400000111.6A500 L501 M506 F507 M508A500-A504 WeakPolarHBondContact O-CB 3.34Å; A500-A504 PolarHBondContact O-N 3.2Å; L501-A504 PolarHBondContact O-N 2.77Å; A504-M506 PolarHBondContact O-N 3.49Å; A504-F507 PolarHBondContact O-N 3.2Å; A504-M508 HydrophobicContact CB-CE 4.24Å; A504-M508 VanDerWaalsContact O-CB 3.29Å; A504-M508 WeakPolarHBondContact O-CB 3.38Å; A504-M508 WeakPolarHBondContact O-CG 3.27Å; A504-M508 PolarHBondContact O-N 3.49Å
505V93.8Very high93.5Very high1 Ų150.2 Ų50.21%0.00625%0.253CS..Hα-helixtrans-64.6-36.7-179.41700000112.1I42 V46 I300 F304 L462 L501 C502 S509I42-V505 HydrophobicContact CG2-CG2 3.79Å; V46-V505 HydrophobicContact CG2-CB 4.49Å; V46-V505 HydrophobicContact CG2-CG2 3.88Å; I300-V505 HydrophobicContact CG2-CG1 3.8Å; F304-V505 HydrophobicContact CD2-CG1 4.19Å; F304-V505 HydrophobicContact CE2-CG1 4.49Å; L462-V505 HydrophobicContact CD1-CG1 3.86Å; L462-V505 HydrophobicContact CD2-CB 4.38Å; L462-V505 HydrophobicContact CD2-CG1 4.12Å; L501-V505 WeakPolarHBondContact O-CB 3.31Å; L501-V505 VanDerWaalsContact O-CG2 3.3Å; L501-V505 WeakPolarHBondContact O-CG2 3.47Å; L501-V505 PolarHBondContact O-N 2.9Å; C502-V505 PolarHBondContact O-N 2.77Å; V505-S509 VanDerWaalsContact O-CB 3.31Å; V505-S509 WeakPolarHBondContact O-CB 3.34Å; V505-S509 PolarHBondContact O-N 2.91Å
506M93.1Very high93.3Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-57.4-55.9174.2-74.4176.472.800111.3Q459 L462 M463 C502 M503 A504 M508 S509 H510 S514 F518Q459-M506 HydrophobicContact CB-CE 4.41Å; L462-M506 HydrophobicContact CB-CG 3.35Å; L462-M506 HydrophobicContact CB-SD 3.77Å; L462-M506 HydrophobicContact CD1-CB 4.33Å; L462-M506 HydrophobicContact CD1-CG 3.5Å; L462-M506 HydrophobicContact CG-CG 3.96Å; M463-M506 HydrophobicContact CE-CE 4.31Å; C502-M506 VanDerWaalsContact O-CG 3.26Å; C502-M506 WeakPolarHBondContact O-CG 3.26Å; C502-M506 PolarHBondContact O-N 2.84Å; M503-M506 PolarHBondContact O-N 3.28Å; A504-M506 PolarHBondContact O-N 3.49Å; M506-M508 PolarHBondContact O-N 2.85Å; M506-S509 PolarHBondContact O-N 3.11Å; M506-S509 PolarHBondContact O-OG 3.29Å; M506-H510 CarbonylContact O-C 3.57Å; M506-H510 PolarHBondContact O-N 3.37Å; M506-H510 VanDerWaalsContact O-N 3.1Å; M506-S514 PolarHBondContact O-OG 3.28Å; M506-F518 HydrophobicContact CE-CD2 4.31Å; M506-F518 HydrophobicContact CE-CE2 3.68Å; M506-F518 HydrophobicContact CE-CZ 4.05Å; M506-F518 HydrophobicContact SD-CE2 4.44Å; M506-F518 HydrophobicContact SD-CZ 4.44Å
507F92.9Very high93.1Very high92 Ų9248.9 Ų48.940%0.40425%0.25SC..Hα-helixtrans-70.9-32-177.4-78.5-86.9000113M503 A504 W511 I515 F518M503-F507 HydrophobicContact CG-CD2 4.32Å; M503-F507 HydrophobicContact CG-CE2 4.35Å; M503-F507 WeakPolarHBondContact O-CD2 3.35Å; M503-F507 PolarHBondContact O-N 2.98Å; A504-F507 PolarHBondContact O-N 3.2Å; F507-W511 HydrophobicContact CD1-CB 4.04Å; F507-W511 PolarHBondContact O-N 2.54Å; F507-I515 HydrophobicContact CE1-CG1 4.26Å; F507-F518 AromaticContact CE2-CE2 3.93Å; F507-F518 HydrophobicContact CE2-CE2 3.93Å; F507-F518 HydrophobicContact CZ-CE2 4.22Å
508M89.3Confident92.9Very high91 Ų9147.4 Ų47.445%0.44824%0.243SC..Hα-helixtrans-66.1-44.4172.5-75.9178.7-169.600111.5T297 A504 M506T297-M508 WeakPolarHBondContact CB-O 3.26Å; T297-M508 WeakPolarHBondContact CG2-O 3.48Å; A504-M508 HydrophobicContact CB-CE 4.24Å; A504-M508 VanDerWaalsContact O-CB 3.29Å; A504-M508 WeakPolarHBondContact O-CB 3.38Å; A504-M508 WeakPolarHBondContact O-CG 3.27Å; A504-M508 PolarHBondContact O-N 3.49Å; M506-M508 PolarHBondContact O-N 2.85Å
509S86.2Confident92.9Very high12 Ų1253.8 Ų53.88%0.08427%0.271CS..Hα-helixtrans-70.2-51.5-175.5880000111.5Q459 V505 M506Q459-S509 PolarHBondContact NE2-OG 3.18Å; V505-S509 VanDerWaalsContact O-CB 3.31Å; V505-S509 WeakPolarHBondContact O-CB 3.34Å; V505-S509 PolarHBondContact O-N 2.91Å; M506-S509 PolarHBondContact O-N 3.11Å; M506-S509 PolarHBondContact O-OG 3.29Å
510H86.6Confident92.7Very high68 Ų6856.1 Ų56.132%0.31528%0.281SS..Hα-helixtrans-161.698.6177.3-154.1-63.3000111.6M506 L512 F513 S514M506-H510 CarbonylContact O-C 3.57Å; M506-H510 PolarHBondContact O-N 3.37Å; M506-H510 VanDerWaalsContact O-N 3.1Å; H510-L512 PolarHBondContact O-N 3.02Å; H510-F513 HydrophobicContact CB-CB 4.36Å; H510-F513 HydrophobicContact CB-CD2 4.08Å; H510-F513 AromaticContact CD2-CD2 3.53Å; H510-F513 AromaticContact CD2-CE2 3.82Å; H510-F513 AromaticContact CE1-CD2 3.37Å; H510-F513 WeakPolarHBondContact CE1-CD2 3.41Å; H510-F513 AromaticContact CE1-CE2 3.59Å; H510-F513 AromaticContact CG-CD2 3.39Å; H510-F513 AromaticContact ND1-CD2 3.3Å; H510-F513 VanDerWaalsContact ND1-CD2 3.3Å; H510-F513 WeakPolarHBondContact ND1-CD2 3.29Å; H510-F513 AromaticContact ND1-CG 3.99Å; H510-F513 PolarHBondContact ND1-N 3.36Å; H510-F513 AromaticContact NE2-CD2 3.51Å; H510-F513 AromaticContact NE2-CE2 3.45Å; H510-F513 WeakPolarHBondContact NE2-CE2 3.21Å; H510-S514 WeakPolarHBondContact O-CB 3.45Å; H510-S514 PolarHBondContact O-N 2.97Å; H510-S514 PolarHBondContact O-OG 3.42Å
511W89.5Confident92.6Very high154 Ų15453.9 Ų53.958%0.58326%0.263SS*.Hα-helixtrans-60.4-39.7-176.771.9-90000113.3F507 S514 I515F507-W511 HydrophobicContact CD1-CB 4.04Å; F507-W511 PolarHBondContact O-N 2.54Å; W511-S514 WeakPolarHBondContact O-CB 3.41Å; W511-S514 PolarHBondContact O-N 3.14Å; W511-I515 HydrophobicContact CE3-CD1 3.63Å; W511-I515 HydrophobicContact CZ3-CD1 3.77Å; W511-I515 WeakPolarHBondContact O-CG1 3.29Å; W511-I515 PolarHBondContact O-N 3.25Å
512L90.9Very high92.6Very high85 Ų8555.1 Ų55.145%0.44528%0.277SS..Hα-helixtrans-65.3-52.5-178.8-176.168.9000112H510 S514 I515 V516H510-L512 PolarHBondContact O-N 3.02Å; L512-S514 PolarHBondContact O-N 2.83Å; L512-I515 PolarHBondContact O-N 2.93Å; L512-I515 VanDerWaalsContact O-N 3.15Å; L512-V516 WeakPolarHBondContact O-CG2 3.35Å; L512-V516 PolarHBondContact O-N 2.9Å
513F90.1Very high92.5Very high52 Ų5259.6 Ų59.623%0.22830%0.3CS..Hα-helixtrans-61.8-30175.1-71.4-61.7000112.4A455 L456 Q459 H510 V516 A517A455-F513 HydrophobicContact CB-CD2 3.81Å; A455-F513 HydrophobicContact CB-CE2 4.07Å; L456-F513 HydrophobicContact CB-CD1 4.49Å; L456-F513 HydrophobicContact CD1-CD1 4.3Å; Q459-F513 HydrophobicContact CG-CB 4Å; H510-F513 HydrophobicContact CB-CB 4.36Å; H510-F513 HydrophobicContact CB-CD2 4.08Å; H510-F513 AromaticContact CD2-CD2 3.53Å; H510-F513 AromaticContact CD2-CE2 3.82Å; H510-F513 AromaticContact CE1-CD2 3.37Å; H510-F513 WeakPolarHBondContact CE1-CD2 3.41Å; H510-F513 AromaticContact CE1-CE2 3.59Å; H510-F513 AromaticContact CG-CD2 3.39Å; H510-F513 AromaticContact ND1-CD2 3.3Å; H510-F513 VanDerWaalsContact ND1-CD2 3.3Å; H510-F513 WeakPolarHBondContact ND1-CD2 3.29Å; H510-F513 AromaticContact ND1-CG 3.99Å; H510-F513 PolarHBondContact ND1-N 3.36Å; H510-F513 AromaticContact NE2-CD2 3.51Å; H510-F513 AromaticContact NE2-CE2 3.45Å; H510-F513 WeakPolarHBondContact NE2-CE2 3.21Å; F513-V516 PolarHBondContact O-N 3.31Å; F513-A517 WeakPolarHBondContact O-CB 3.41Å; F513-A517 PolarHBondContact O-N 2.92Å
514S92Very high92.5Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-62.1-48.2172.7-620000111.6Q459 M506 H510 W511 L512 V516 A517 F518Q459-S514 PolarHBondContact OE1-OG 3.01Å; Q459-S514 VanDerWaalsContact OE1-OG 3.07Å; M506-S514 PolarHBondContact O-OG 3.28Å; H510-S514 WeakPolarHBondContact O-CB 3.45Å; H510-S514 PolarHBondContact O-N 2.97Å; H510-S514 PolarHBondContact O-OG 3.42Å; W511-S514 WeakPolarHBondContact O-CB 3.41Å; W511-S514 PolarHBondContact O-N 3.14Å; L512-S514 PolarHBondContact O-N 2.83Å; S514-V516 VanDerWaalsContact C-N 3.34Å; S514-V516 PolarHBondContact O-N 3.13Å; S514-A517 PolarHBondContact O-N 3.47Å; S514-F518 WeakPolarHBondContact O-CD2 3.43Å; S514-F518 PolarHBondContact O-N 3.42Å
515I94.1Very high92.4Very high82 Ų8257.7 Ų57.742%0.42128%0.284SS..Hα-helixtrans-61.5-44.4176.3-66.7172.9000110.7F507 W511 L512 A517 F518 F519F507-I515 HydrophobicContact CE1-CG1 4.26Å; W511-I515 HydrophobicContact CE3-CD1 3.63Å; W511-I515 HydrophobicContact CZ3-CD1 3.77Å; W511-I515 WeakPolarHBondContact O-CG1 3.29Å; W511-I515 PolarHBondContact O-N 3.25Å; L512-I515 PolarHBondContact O-N 2.93Å; L512-I515 VanDerWaalsContact O-N 3.15Å; I515-A517 VanDerWaalsContact C-N 3.32Å; I515-A517 PolarHBondContact O-N 3.48Å; I515-F518 PolarHBondContact O-N 3.42Å; I515-F519 WeakPolarHBondContact O-CB 3.39Å; I515-F519 PolarHBondContact O-N 3.32Å
516V92.4Very high92.4Very high59 Ų5963.3 Ų63.336%0.35831%0.308SS..Hα-helixtrans-59-44.3176.3172.90000110.7L512 F513 S514 F518 F519 I520L512-V516 WeakPolarHBondContact O-CG2 3.35Å; L512-V516 PolarHBondContact O-N 2.9Å; F513-V516 PolarHBondContact O-N 3.31Å; S514-V516 VanDerWaalsContact C-N 3.34Å; S514-V516 PolarHBondContact O-N 3.13Å; V516-F518 PolarHBondContact O-N 3.25Å; V516-F519 PolarHBondContact O-N 2.93Å; V516-I520 HydrophobicContact CG1-CD1 3.86Å; V516-I520 HydrophobicContact CG1-CG1 4.42Å; V516-I520 VanDerWaalsContact O-CG1 3.29Å; V516-I520 WeakPolarHBondContact O-CG1 3.5Å; V516-I520 PolarHBondContact O-N 2.94Å
517A92.6Very high92.4Very high0 Ų066.9 Ų66.90%032%0.322CS..Hα-helixtrans-62.2-44176.900000112.1Q459 F460 M463 F513 S514 I515 F519 I520 G521Q459-A517 HydrophobicContact CB-CB 3.74Å; F460-A517 HydrophobicContact CD1-CB 3.89Å; F460-A517 HydrophobicContact CE1-CB 3.76Å; M463-A517 HydrophobicContact CE-CB 3.99Å; F513-A517 WeakPolarHBondContact O-CB 3.41Å; F513-A517 PolarHBondContact O-N 2.92Å; S514-A517 PolarHBondContact O-N 3.47Å; I515-A517 VanDerWaalsContact C-N 3.32Å; I515-A517 PolarHBondContact O-N 3.48Å; A517-F519 VanDerWaalsContact C-N 3.31Å; A517-F519 PolarHBondContact O-N 2.89Å; A517-I520 PolarHBondContact O-N 3.18Å; A517-G521 PolarHBondContact O-N 2.88Å
518F94.6Very high92.2Very high71 Ų7162.6 Ų62.631%0.31130%0.303SS..Hα-helixtrans-60.4-40.7174.6-84.6-67.4000112.3M463 M466 M506 F507 S514 I515 V516 G521 A522M463-F518 HydrophobicContact CE-CD1 3.82Å; M463-F518 HydrophobicContact CE-CE1 4.13Å; M463-F518 HydrophobicContact CE-CG 4.04Å; M466-F518 HydrophobicContact CE-CE1 3.85Å; M466-F518 HydrophobicContact CE-CZ 3.96Å; M466-F518 HydrophobicContact SD-CZ 4.3Å; M506-F518 HydrophobicContact CE-CD2 4.31Å; M506-F518 HydrophobicContact CE-CE2 3.68Å; M506-F518 HydrophobicContact CE-CZ 4.05Å; M506-F518 HydrophobicContact SD-CE2 4.44Å; M506-F518 HydrophobicContact SD-CZ 4.44Å; F507-F518 AromaticContact CE2-CE2 3.93Å; F507-F518 HydrophobicContact CE2-CE2 3.93Å; F507-F518 HydrophobicContact CZ-CE2 4.22Å; S514-F518 WeakPolarHBondContact O-CD2 3.43Å; S514-F518 PolarHBondContact O-N 3.42Å; I515-F518 PolarHBondContact O-N 3.42Å; V516-F518 PolarHBondContact O-N 3.25Å; F518-G521 PolarHBondContact O-N 2.99Å; F518-A522 WeakPolarHBondContact O-CB 3.24Å; F518-A522 PolarHBondContact O-N 3.43Å
519F95.5Very high92.1Very high135 Ų13562.1 Ų62.159%0.59230%0.3SS*.Hα-helixtrans-65-46.6177.8-176-108.7000112I515 V516 A517 G521 A522 I523I515-F519 WeakPolarHBondContact O-CB 3.39Å; I515-F519 PolarHBondContact O-N 3.32Å; V516-F519 PolarHBondContact O-N 2.93Å; A517-F519 VanDerWaalsContact C-N 3.31Å; A517-F519 PolarHBondContact O-N 2.89Å; F519-G521 VanDerWaalsContact C-N 3.31Å; F519-G521 PolarHBondContact O-N 3.29Å; F519-A522 PolarHBondContact O-N 2.97Å; F519-I523 HydrophobicContact CD1-CD1 3.81Å; F519-I523 HydrophobicContact CE1-CD1 3.37Å; F519-I523 HydrophobicContact CE1-CG1 4.4Å; F519-I523 HydrophobicContact CE2-CD1 4.37Å; F519-I523 HydrophobicContact CG-CD1 4.49Å; F519-I523 HydrophobicContact CZ-CD1 3.69Å; F519-I523 HydrophobicContact CZ-CG1 4.38Å; F519-I523 WeakPolarHBondContact O-CG1 3.42Å; F519-I523 PolarHBondContact O-N 3.45Å
520I94.5Very high92.2Very high63 Ų6371 Ų7132%0.32333%0.333SS..Hα-helixtrans-61-42.5175.3-61166000110.3L87 F460 V516 A517 A522 I523 A524L87-I520 HydrophobicContact CD2-CB 4.4Å; L87-I520 HydrophobicContact CD2-CG2 3.68Å; F460-I520 HydrophobicContact CE1-CD1 4.45Å; F460-I520 HydrophobicContact CZ-CD1 4.22Å; V516-I520 HydrophobicContact CG1-CD1 3.86Å; V516-I520 HydrophobicContact CG1-CG1 4.42Å; V516-I520 VanDerWaalsContact O-CG1 3.29Å; V516-I520 WeakPolarHBondContact O-CG1 3.5Å; V516-I520 PolarHBondContact O-N 2.94Å; A517-I520 PolarHBondContact O-N 3.18Å; I520-A522 PolarHBondContact O-N 3.43Å; I520-I523 PolarHBondContact O-N 3.46Å; I520-A524 PolarHBondContact O-N 3.19Å
521G94.7Very high92.1Very high10 Ų1074 Ų7410%0.10334%0.342CS..Hα-helixtrans-60.8-42175.500000113.1A517 F518 F519 A524 Y525A517-G521 PolarHBondContact O-N 2.88Å; F518-G521 PolarHBondContact O-N 2.99Å; F519-G521 VanDerWaalsContact C-N 3.31Å; F519-G521 PolarHBondContact O-N 3.29Å; G521-A524 PolarHBondContact O-N 3.22Å; G521-Y525 WeakPolarHBondContact O-CB 3.36Å; G521-Y525 PolarHBondContact O-N 3.5Å
522A95.3Very high91.2Very high52 Ų5268.8 Ų68.843%0.4334%0.336SS..Hα-helixtrans-66.2-39.2177.100000112.4F518 F519 I520 Y525 K526F518-A522 WeakPolarHBondContact O-CB 3.24Å; F518-A522 PolarHBondContact O-N 3.43Å; F519-A522 PolarHBondContact O-N 2.97Å; I520-A522 PolarHBondContact O-N 3.43Å; A522-Y525 PolarHBondContact O-N 3.17Å; A522-K526 WeakPolarHBondContact O-CB 3.49Å; A522-K526 WeakPolarHBondContact O-CG 3.49Å; A522-K526 PolarHBondContact O-N 3.22Å
523I95.8Very high89.9Confident94 Ų9465.6 Ų65.648%0.48232%0.322SS..Hα-helixtrans-62.6-48.1173.4-70.5170.5000110.3F519 I520 Y525 K526 Y527F519-I523 HydrophobicContact CD1-CD1 3.81Å; F519-I523 HydrophobicContact CE1-CD1 3.37Å; F519-I523 HydrophobicContact CE1-CG1 4.4Å; F519-I523 HydrophobicContact CE2-CD1 4.37Å; F519-I523 HydrophobicContact CG-CD1 4.49Å; F519-I523 HydrophobicContact CZ-CD1 3.69Å; F519-I523 HydrophobicContact CZ-CG1 4.38Å; F519-I523 WeakPolarHBondContact O-CG1 3.42Å; F519-I523 PolarHBondContact O-N 3.45Å; I520-I523 PolarHBondContact O-N 3.46Å; I523-Y525 VanDerWaalsContact C-N 3.33Å; I523-Y525 PolarHBondContact O-N 3.03Å; I523-K526 PolarHBondContact O-N 3.43Å; I523-Y527 WeakPolarHBondContact O-CB 3.18Å; I523-Y527 PolarHBondContact O-N 2.64Å
524A93.2Very high88.3Confident17 Ų1771.9 Ų71.914%0.1435%0.352CS..Hα-helixtrans-60.6-43.7178.600000111.5A83 I520 G521 Y527 I528A83-A524 HydrophobicContact CB-CB 3.86Å; I520-A524 PolarHBondContact O-N 3.19Å; G521-A524 PolarHBondContact O-N 3.22Å; A524-Y527 PolarHBondContact O-N 3.2Å; A524-I528 WeakPolarHBondContact O-CD1 3.38Å; A524-I528 VanDerWaalsContact O-CG1 3.26Å; A524-I528 WeakPolarHBondContact O-CG1 3.36Å; A524-I528 PolarHBondContact O-N 3.27Å; A524-I528 VanDerWaalsContact O-N 3.09Å
525Y93.2Very high87.1Confident73 Ų7375.6 Ų75.629%0.28637%0.369SS..Hα-helixtrans-57.9-51.9174.5177.2-89.2000111.6E79 L80 G521 A522 I523 Y527 I528 E529E79-Y525 HydrophobicContact CB-CD2 3.75Å; E79-Y525 HydrophobicContact CB-CE2 3.48Å; E79-Y525 VanDerWaalsContact CB-CE2 3.48Å; L80-Y525 HydrophobicContact CB-CD2 4.31Å; L80-Y525 HydrophobicContact CB-CE2 4.3Å; L80-Y525 HydrophobicContact CD1-CD2 4.41Å; G521-Y525 WeakPolarHBondContact O-CB 3.36Å; G521-Y525 PolarHBondContact O-N 3.5Å; A522-Y525 PolarHBondContact O-N 3.17Å; I523-Y525 VanDerWaalsContact C-N 3.33Å; I523-Y525 PolarHBondContact O-N 3.03Å; Y525-Y527 VanDerWaalsContact C-N 3.31Å; Y525-Y527 PolarHBondContact O-N 3.43Å; Y525-I528 PolarHBondContact O-N 3Å; Y525-E529 VanDerWaalsContact CE1-OE2 3.31Å; Y525-E529 WeakPolarHBondContact CE1-OE2 3.37Å; Y525-E529 WeakPolarHBondContact O-CB 3.05Å; Y525-E529 PolarHBondContact O-N 3.37Å
526K93.6Very high85.5Confident119 Ų11979.3 Ų79.352%0.51738%0.384SS..Hα-helixtrans-64.8-34.8-179.1-77.6-71165.5-159.70112.8A522 I523 E529 Y530A522-K526 WeakPolarHBondContact O-CB 3.49Å; A522-K526 WeakPolarHBondContact O-CG 3.49Å; A522-K526 PolarHBondContact O-N 3.22Å; I523-K526 PolarHBondContact O-N 3.43Å; K526-E529 WeakPolarHBondContact CD-OE2 3.33Å; K526-E529 WeakPolarHBondContact CE-OE2 3.37Å; K526-E529 IonicContact NZ-OE1 2.91Å; K526-E529 IonicContact NZ-OE2 2.74Å; K526-E529 PolarHBondContact NZ-OE2 3.32Å; K526-Y530 VanDerWaalsContact O-CB 3.23Å; K526-Y530 WeakPolarHBondContact O-CB 3.23Å; K526-Y530 PolarHBondContact O-N 2.91Å
527Y92.6Very high84.1Confident76 Ų7678.7 Ų78.730%0.29838%0.375SS..Hα-helixtrans-62.8-45.6174.4178.1-94.5000111.8I415 I417 I523 A524 Y525 Y530 R531I415-Y527 HydrophobicContact CG2-CE1 4.16Å; I417-Y527 WeakPolarHBondContact CD1-OH 3.22Å; I523-Y527 WeakPolarHBondContact O-CB 3.18Å; I523-Y527 PolarHBondContact O-N 2.64Å; A524-Y527 PolarHBondContact O-N 3.2Å; Y525-Y527 VanDerWaalsContact C-N 3.31Å; Y525-Y527 PolarHBondContact O-N 3.43Å; Y527-Y530 PolarHBondContact O-N 3.24Å; Y527-R531 HydrophobicContact CE1-CG 4.05Å; Y527-R531 HydrophobicContact CE2-CG 4.46Å; Y527-R531 WeakPolarHBondContact O-CG 3.4Å; Y527-R531 PolarHBondContact O-N 3.04Å; Y527-R531 VanDerWaalsContact O-N 3.1Å; Y527-R531 PolarHBondContact OH-NE 3.24Å
528I89.9Confident82.5Confident1 Ų181.4 Ų81.41%0.00540%0.403CS..Hα-helixtrans-67-44.3179.5-64.4165.2000110.8E79 A83 V414 I415 A524 Y525 Y530 R531 G532 A533E79-I528 HydrophobicContact CB-CG2 4.26Å; E79-I528 HydrophobicContact CG-CG2 4.21Å; A83-I528 HydrophobicContact CB-CD1 4.39Å; V414-I528 HydrophobicContact CG1-CD1 4.14Å; V414-I528 HydrophobicContact CG1-CG1 4.35Å; V414-I528 HydrophobicContact CG1-CG2 3.46Å; V414-I528 VanDerWaalsContact CG1-CG2 3.46Å; I415-I528 HydrophobicContact CD1-CD1 3.9Å; I415-I528 HydrophobicContact CD1-CG1 4.23Å; I415-I528 HydrophobicContact CG1-CD1 4.11Å; I415-I528 HydrophobicContact CG1-CG1 4.08Å; A524-I528 WeakPolarHBondContact O-CD1 3.38Å; A524-I528 VanDerWaalsContact O-CG1 3.26Å; A524-I528 WeakPolarHBondContact O-CG1 3.36Å; A524-I528 PolarHBondContact O-N 3.27Å; A524-I528 VanDerWaalsContact O-N 3.09Å; Y525-I528 PolarHBondContact O-N 3Å; I528-Y530 PolarHBondContact O-N 3.32Å; I528-R531 PolarHBondContact O-N 3.48Å; I528-G532 PolarHBondContact O-N 3.17Å; I528-A533 HydrophobicContact CG2-CB 3.71Å
529E87.4Confident81.2Confident82 Ų8279.2 Ų79.238%0.38340%0.395SS..Hα-helixtrans-58.4-46.7175.3-173.9-173.8174.900111.1E79 Y525 K526 R531 G532E79-E529 HydrophobicContact CG-CB 4.39Å; Y525-E529 VanDerWaalsContact CE1-OE2 3.31Å; Y525-E529 WeakPolarHBondContact CE1-OE2 3.37Å; Y525-E529 WeakPolarHBondContact O-CB 3.05Å; Y525-E529 PolarHBondContact O-N 3.37Å; K526-E529 WeakPolarHBondContact CD-OE2 3.33Å; K526-E529 WeakPolarHBondContact CE-OE2 3.37Å; K526-E529 IonicContact NZ-OE1 2.91Å; K526-E529 IonicContact NZ-OE2 2.74Å; K526-E529 PolarHBondContact NZ-OE2 3.32Å; E529-R531 VanDerWaalsContact C-N 3.28Å; E529-R531 PolarHBondContact O-N 3.04Å; E529-G532 PolarHBondContact O-N 3.09Å
530Y87.5Confident79.6Confident197 Ų19773 Ų7377%0.77337%0.369SS*.Hα-helixtrans-61.8-34.6178.5178.4-101.3000113K526 Y527 I528 G532K526-Y530 VanDerWaalsContact O-CB 3.23Å; K526-Y530 WeakPolarHBondContact O-CB 3.23Å; K526-Y530 PolarHBondContact O-N 2.91Å; Y527-Y530 PolarHBondContact O-N 3.24Å; I528-Y530 PolarHBondContact O-N 3.32Å; Y530-G532 PolarHBondContact O-N 2.91Å
531R84Confident78.5Confident131 Ų13172.5 Ų72.549%0.49437%0.367SS..THydrogen-bonded Turntrans-75-7.5176-73.8-63.2-145-1767.6113.6P416 Y527 I528 E529P416-R531 HydrophobicContact CG-CB 4.43Å; P416-R531 HydrophobicContact CG-CG 4.41Å; Y527-R531 HydrophobicContact CE1-CG 4.05Å; Y527-R531 HydrophobicContact CE2-CG 4.46Å; Y527-R531 WeakPolarHBondContact O-CG 3.4Å; Y527-R531 PolarHBondContact O-N 3.04Å; Y527-R531 VanDerWaalsContact O-N 3.1Å; Y527-R531 PolarHBondContact OH-NE 3.24Å; I528-R531 PolarHBondContact O-N 3.48Å; E529-R531 VanDerWaalsContact C-N 3.28Å; E529-R531 PolarHBondContact O-N 3.04Å
532G70.7Confident77.6Confident46 Ų4678.2 Ų78.247%0.47439%0.385SS..THydrogen-bonded Turntrans65.951.2176.200000112.5I528 E529 Y530 E534I528-G532 PolarHBondContact O-N 3.17Å; E529-G532 PolarHBondContact O-N 3.09Å; Y530-G532 PolarHBondContact O-N 2.91Å; G532-E534 PolarHBondContact O-N 3.45Å
533A64.1Low76.5Confident18 Ų1877.4 Ų77.415%0.14938%0.382CS..  trans-66.379.8176.400000111.6V414 I528 K535V414-A533 HydrophobicContact CG1-CB 4.22Å; I528-A533 HydrophobicContact CG2-CB 3.71Å; A533-K535 VanDerWaalsContact C-N 3.3Å; A533-K535 PolarHBondContact O-N 2.91Å
534E57.1Low75.4Confident184 Ų18477 Ų7786%0.8638%0.38SS*.  trans-83.471177.2-66.5-172.517300110.7G532G532-E534 PolarHBondContact O-N 3.45Å
535K66.7Low74.8Confident78 Ų7884.3 Ų84.334%0.33940%0.404SS..  trans-98.8117.2165.3-163.3159.9-176.9168.70109.1D412 A533 W537D412-K535 HydrophobicContact CB-CD 4.43Å; D412-K535 IonicContact OD1-NZ 3.58Å; D412-K535 PolarHBondContact OD1-NZ 3.03Å; A533-K535 VanDerWaalsContact C-N 3.3Å; A533-K535 PolarHBondContact O-N 2.91Å; K535-W537 VanDerWaalsContact C-N 3.29Å; K535-W537 HydrophobicContact CD-CZ2 3.64Å; K535-W537 HydrophobicContact CG-CD2 4.49Å; K535-W537 HydrophobicContact CG-CZ2 4.21Å; K535-W537 VanDerWaalsContact O-CD1 3.23Å; K535-W537 PolarHBondContact O-N 3.06Å
536E59.3Low74.4Confident159 Ų15986.4 Ų86.474%0.74342%0.42SS*.  trans-74.778.5-176.7-63-148.6126.900111.7G538 R542E536-G538 VanDerWaalsContact C-N 3.34Å; E536-R542 IonicContact OE1-NH1 2.54Å; E536-R542 PolarHBondContact OE1-NH1 2.99Å
537W62.9Low73.8Confident46 Ų4684 Ų8417%0.17442%0.418CS..  trans-80.7-13.6176.7-68.4102.6000114Y70 R74 D412 K535Y70-W537 AromaticContact CD2-CH2 3.69Å; Y70-W537 HydrophobicContact CD2-CH2 3.69Å; Y70-W537 AromaticContact CD2-CZ3 3.9Å; Y70-W537 HydrophobicContact CD2-CZ3 3.9Å; Y70-W537 HydrophobicContact CE2-CE3 4.31Å; Y70-W537 AromaticContact CE2-CH2 3.36Å; Y70-W537 HydrophobicContact CE2-CH2 3.36Å; Y70-W537 AromaticContact CE2-CZ3 3.17Å; Y70-W537 HydrophobicContact CE2-CZ3 3.17Å; Y70-W537 AromaticContact CZ-CZ3 3.74Å; R74-W537 HydrophobicContact CB-CE3 4.3Å; R74-W537 HydrophobicContact CG-CE3 4.44Å; D412-W537 WeakPolarHBondContact OD2-CZ2 3.33Å; K535-W537 VanDerWaalsContact C-N 3.29Å; K535-W537 HydrophobicContact CD-CZ2 3.64Å; K535-W537 HydrophobicContact CG-CD2 4.49Å; K535-W537 HydrophobicContact CG-CZ2 4.21Å; K535-W537 VanDerWaalsContact O-CD1 3.23Å; K535-W537 PolarHBondContact O-N 3.06Å
538G59.6Low73.4Confident57 Ų5783 Ų8359%0.58843%0.426SS*.  trans65.764-171.200000111.5E536E536-G538 VanDerWaalsContact C-N 3.34Å
539D66.7Low73.3Confident25 Ų2585.2 Ų85.213%0.13444%0.444CS..  trans-77.8158.3-171.768.7-15.7000114.1I541 R542D539-I541 PolarHBondContact O-N 3.13Å; D539-R542 PolarHBondContact O-N 3.12Å; D539-R542 VanDerWaalsContact OD1-CB 3.3Å; D539-R542 WeakPolarHBondContact OD1-CB 3.49Å; D539-R542 WeakPolarHBondContact OD1-CD 3.38Å; D539-R542 WeakPolarHBondContact OD1-CG 3.48Å; D539-R542 PolarHBondContact OD1-N 2.96Å; D539-R542 IonicContact OD1-NE 4Å
540G63.1Low73.2Confident6 Ų684.5 Ų84.56%0.06245%0.448CS..Hα-helixtrans-63.7-24.1176.200000113.9N75 G543 L544N75-G540 PolarHBondContact O-N 3.22Å; N75-G540 VanDerWaalsContact O-N 3.17Å; G540-G543 PolarHBondContact O-N 3.16Å; G540-L544 PolarHBondContact O-N 2.82Å
541I72.1Confident73.2Confident52 Ų5282.1 Ų82.127%0.26744%0.439SS..Hα-helixtrans-69.9-40.4-177.9-58.5176000110.8L76 D539 G543 L544 R545L76-I541 VanDerWaalsContact O-CD1 3.3Å; L76-I541 WeakPolarHBondContact O-CD1 3.39Å; D539-I541 PolarHBondContact O-N 3.13Å; I541-G543 VanDerWaalsContact C-N 3.27Å; I541-G543 PolarHBondContact O-N 2.88Å; I541-L544 WeakPolarHBondContact O-CB 3.26Å; I541-L544 PolarHBondContact O-N 3.27Å; I541-R545 WeakPolarHBondContact O-CG 3.41Å; I541-R545 PolarHBondContact O-N 2.89Å
542R74.7Confident73.3Confident129 Ų12977.9 Ų77.949%0.48743%0.431SS..Hα-helixtrans-60.4-39.1171.3-76.5175.1-174.6-1602.6111.5E536 D539 L544 R545 L546E536-R542 IonicContact OE1-NH1 2.54Å; E536-R542 PolarHBondContact OE1-NH1 2.99Å; D539-R542 PolarHBondContact O-N 3.12Å; D539-R542 VanDerWaalsContact OD1-CB 3.3Å; D539-R542 WeakPolarHBondContact OD1-CB 3.49Å; D539-R542 WeakPolarHBondContact OD1-CD 3.38Å; D539-R542 WeakPolarHBondContact OD1-CG 3.48Å; D539-R542 PolarHBondContact OD1-N 2.96Å; D539-R542 IonicContact OD1-NE 4Å; R542-L544 PolarHBondContact O-N 3.11Å; R542-R545 PolarHBondContact O-N 3.25Å; R542-L546 PolarHBondContact O-N 3.07Å
543G71.9Confident74.1Confident36 Ų3677.1 Ų77.137%0.37142%0.416SS..Hα-helixtrans-60.7-41.7173.900000113.2G540 I541 L546 S547G540-G543 PolarHBondContact O-N 3.16Å; I541-G543 VanDerWaalsContact C-N 3.27Å; I541-G543 PolarHBondContact O-N 2.88Å; G543-L546 PolarHBondContact O-N 3.25Å; G543-S547 PolarHBondContact O-N 3.17Å; G543-S547 PolarHBondContact O-OG 2.81Å
544L72.6Confident75.1Confident84 Ų8483.5 Ų83.544%0.4444%0.437SS..Hα-helixtrans-64.2-45.1173.817964.8000111.8L478 G540 I541 R542 L546 S547 A548L478-L544 HydrophobicContact CD1-CB 4.33Å; L478-L544 HydrophobicContact CD2-CD1 3.93Å; G540-L544 PolarHBondContact O-N 2.82Å; I541-L544 WeakPolarHBondContact O-CB 3.26Å; I541-L544 PolarHBondContact O-N 3.27Å; R542-L544 PolarHBondContact O-N 3.11Å; L544-L546 VanDerWaalsContact C-N 3.32Å; L544-L546 PolarHBondContact O-N 3.37Å; L544-S547 PolarHBondContact O-N 3.43Å; L544-A548 WeakPolarHBondContact O-CB 3.34Å; L544-A548 PolarHBondContact O-N 3.25Å
545R81.5Confident76.4Confident172 Ų17277.2 Ų77.265%0.64941%0.411SS*.Hα-helixtrans-60.3-41.6177-70.2177.6-170.5167.85.5111.8I541 R542 A549I541-R545 WeakPolarHBondContact O-CG 3.41Å; I541-R545 PolarHBondContact O-N 2.89Å; R542-R545 PolarHBondContact O-N 3.25Å; R545-A549 VanDerWaalsContact O-CB 3.29Å; R545-A549 WeakPolarHBondContact O-CB 3.41Å; R545-A549 PolarHBondContact O-N 3.13Å
546L84.3Confident77.2Confident116 Ų11678.3 Ų78.361%0.60742%0.42SS*.Hα-helixtrans-63.1-47.6175.6179.662.9000111.1R542 G543 L544 A548 A549 S550R542-L546 PolarHBondContact O-N 3.07Å; G543-L546 PolarHBondContact O-N 3.25Å; L544-L546 VanDerWaalsContact C-N 3.32Å; L544-L546 PolarHBondContact O-N 3.37Å; L546-A548 VanDerWaalsContact C-N 3.33Å; L546-A548 PolarHBondContact O-N 2.98Å; L546-A549 PolarHBondContact O-N 2.82Å; L546-S550 PolarHBondContact O-N 2.82Å; L546-S550 PolarHBondContact O-OG 3.47Å
547S81.8Confident78.4Confident69 Ų6976.8 Ų76.848%0.48341%0.413SS..Hα-helixtrans-61.3-42.6179.2-57.50000111.8G543 L544 S550 Y551G543-S547 PolarHBondContact O-N 3.17Å; G543-S547 PolarHBondContact O-OG 2.81Å; L544-S547 PolarHBondContact O-N 3.43Å; S547-S550 PolarHBondContact O-N 3.31Å; S547-Y551 WeakPolarHBondContact O-CB 3.45Å; S547-Y551 PolarHBondContact O-N 3.45Å
548A84.1Confident79.1Confident56 Ų5681.7 Ų81.746%0.46344%0.437SS..Hα-helixtrans-63.9-42.1174.900000111.9L544 L546 A552L544-A548 WeakPolarHBondContact O-CB 3.34Å; L544-A548 PolarHBondContact O-N 3.25Å; L546-A548 VanDerWaalsContact C-N 3.33Å; L546-A548 PolarHBondContact O-N 2.98Å; A548-A552 VanDerWaalsContact O-CB 3.29Å; A548-A552 WeakPolarHBondContact O-CB 3.35Å; A548-A552 PolarHBondContact O-N 3.1Å
549A86.4Confident79.9Confident46 Ų4681.4 Ų81.438%0.3843%0.434SS..Hα-helixtrans-63.8-47.5175.900000111.6R545 L546 Y551 A552 L553R545-A549 VanDerWaalsContact O-CB 3.29Å; R545-A549 WeakPolarHBondContact O-CB 3.41Å; R545-A549 PolarHBondContact O-N 3.13Å; L546-A549 PolarHBondContact O-N 2.82Å; A549-Y551 PolarHBondContact O-N 3.01Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.24Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 2.89Å
550S87Confident80.3Confident67 Ų6786.5 Ų86.547%0.46947%0.469SS..Hα-helixtrans-61.7-42.3177.1-63.30000112.3L546 S547 R554L546-S550 PolarHBondContact O-N 2.82Å; L546-S550 PolarHBondContact O-OG 3.47Å; S547-S550 PolarHBondContact O-N 3.31Å; S550-R554 WeakPolarHBondContact O-CB 3.41Å; S550-R554 PolarHBondContact O-N 3.09Å
551Y86.5Confident80.9Confident148 Ų14890.4 Ų90.458%0.5849%0.492SS*.Hα-helixtrans-61.1-50.3175.1179-95000111.1S547 A549 L553 R554 T555S547-Y551 WeakPolarHBondContact O-CB 3.45Å; S547-Y551 PolarHBondContact O-N 3.45Å; A549-Y551 PolarHBondContact O-N 3.01Å; Y551-L553 VanDerWaalsContact C-N 3.35Å; Y551-L553 PolarHBondContact O-N 3.34Å; Y551-R554 PolarHBondContact O-N 3.23Å; Y551-T555 HydrophobicContact CD1-CG2 4.35Å; Y551-T555 HydrophobicContact CE1-CG2 3.89Å; Y551-T555 HydrophobicContact CE2-CG2 4.25Å; Y551-T555 PolarHBondContact O-N 3.01Å; Y551-T555 PolarHBondContact O-OG1 3.23Å; Y551-T555 VanDerWaalsContact O-OG1 3.13Å
552A85.9Confident81.2Confident41 Ų4191.5 Ų91.534%0.33950%0.495SS..Hα-helixtrans-59.7-43.6179.300000112.1A548 A549 T555 L556A548-A552 VanDerWaalsContact O-CB 3.29Å; A548-A552 WeakPolarHBondContact O-CB 3.35Å; A548-A552 PolarHBondContact O-N 3.1Å; A549-A552 PolarHBondContact O-N 3.32Å; A552-T555 WeakPolarHBondContact CA-OG1 3.46Å; A552-T555 PolarHBondContact O-N 3.46Å; A552-T555 PolarHBondContact O-OG1 3.3Å; A552-L556 WeakPolarHBondContact O-CB 3.24Å; A552-L556 WeakPolarHBondContact O-CG 3.17Å; A552-L556 PolarHBondContact O-N 2.89Å
553L88.2Confident81.2Confident31 Ų3186.8 Ų86.816%0.16248%0.481CS..Hα-helixtrans-62.5-42.7177.9-74.8175.3000112.7A549 Y551 L556 E557 L660 M663A549-L553 WeakPolarHBondContact O-CB 3.41Å; A549-L553 VanDerWaalsContact O-CG 3.24Å; A549-L553 WeakPolarHBondContact O-CG 3.28Å; A549-L553 PolarHBondContact O-N 2.89Å; Y551-L553 VanDerWaalsContact C-N 3.35Å; Y551-L553 PolarHBondContact O-N 3.34Å; L553-L556 PolarHBondContact O-N 3.28Å; L553-E557 PolarHBondContact O-N 3.28Å; L553-L660 HydrophobicContact CD1-CD2 3.88Å; L553-L660 HydrophobicContact CD1-CG 4.32Å; L553-M663 HydrophobicContact CD2-CB 3.6Å; L553-M663 HydrophobicContact CD2-CG 3.4Å; L553-M663 HydrophobicContact CD2-SD 3.43Å; L553-M663 WeakPolarHBondContact CD2-SD 3.25Å
554R85.7Confident81.3Confident152 Ų15291.2 Ų91.257%0.57449%0.49SS*.Hα-helixtrans-65.2-44.8177.8-173.1179.867.8-177.61.5111.4S550 Y551 L556 E557S550-R554 WeakPolarHBondContact O-CB 3.41Å; S550-R554 PolarHBondContact O-N 3.09Å; Y551-R554 PolarHBondContact O-N 3.23Å; R554-L556 PolarHBondContact O-N 3.39Å; R554-E557 WeakPolarHBondContact O-CB 3.14Å; R554-E557 PolarHBondContact O-N 3.29Å; R554-E557 VanDerWaalsContact O-N 3.14Å
555T84.5Confident81.6Confident52 Ų5292.9 Ų92.932%0.31950%0.499SS..Hα-helixtrans-66.2-28177.151.90000112.8Y551 A552 E557Y551-T555 HydrophobicContact CD1-CG2 4.35Å; Y551-T555 HydrophobicContact CE1-CG2 3.89Å; Y551-T555 HydrophobicContact CE2-CG2 4.25Å; Y551-T555 PolarHBondContact O-N 3.01Å; Y551-T555 PolarHBondContact O-OG1 3.23Å; Y551-T555 VanDerWaalsContact O-OG1 3.13Å; A552-T555 WeakPolarHBondContact CA-OG1 3.46Å; A552-T555 PolarHBondContact O-N 3.46Å; A552-T555 PolarHBondContact O-OG1 3.3Å; T555-E557 VanDerWaalsContact C-N 3.3Å
556L83.7Confident81.8Confident100 Ų10086 Ų8652%0.52447%0.474SS..Hα-helixtrans-74.2-21.7175-76.8168.9000113A552 L553 R554 E558 M663A552-L556 WeakPolarHBondContact O-CB 3.24Å; A552-L556 WeakPolarHBondContact O-CG 3.17Å; A552-L556 PolarHBondContact O-N 2.89Å; L553-L556 PolarHBondContact O-N 3.28Å; R554-L556 PolarHBondContact O-N 3.39Å; L556-E558 VanDerWaalsContact C-N 3.32Å; L556-M663 HydrophobicContact CD1-CG 4.17Å
557E82.9Confident81.8Confident127 Ų12786.5 Ų86.559%0.59347%0.467SS*.Hα-helixtrans-80.9-14.9177.4-164.8173.4171.800112.3L553 R554 T555 G559L553-E557 PolarHBondContact O-N 3.28Å; R554-E557 WeakPolarHBondContact O-CB 3.14Å; R554-E557 PolarHBondContact O-N 3.29Å; R554-E557 VanDerWaalsContact O-N 3.14Å; T555-E557 VanDerWaalsContact C-N 3.3Å; E557-G559 PolarHBondContact O-N 3.14Å
558E77.8Confident82.2Confident149 Ų14983.6 Ų83.670%0.69645%0.447SS*.SBendtrans-72.385.1177.9-68.6175.5-170.700111.3L556L556-E558 VanDerWaalsContact C-N 3.32Å
559G76.2Confident82.5Confident51 Ų5182.4 Ų82.453%0.52643%0.432SS..SBendtrans102.1169.9169.500000115.5E557E557-G559 PolarHBondContact O-N 3.14Å
560P74.8Confident82.9Confident132 Ų13280.4 Ų80.486%0.85742%0.415SS*.  trans-71.5141.9-178.129.4-34000111.7H562P560-H562 PolarHBondContact O-N 3.01Å; P560-H562 VanDerWaalsContact O-N 3.09Å
561V76.5Confident83.3Confident89 Ų8977.2 Ų77.254%0.53939%0.392SS..  trans-61.5115.4174.5-177.60000109.7
562H78.9Confident83.7Confident74 Ų7470.2 Ų70.234%0.34337%0.365SS..  trans-65142.4174.2-166.8-81.4000110.8P560 K564 N565 W566 S948P560-H562 PolarHBondContact O-N 3.01Å; P560-H562 VanDerWaalsContact O-N 3.09Å; H562-K564 VanDerWaalsContact C-N 3.3Å; H562-K564 WeakPolarHBondContact ND1-CB 3.47Å; H562-K564 PolarHBondContact ND1-N 2.94Å; H562-K564 VanDerWaalsContact ND1-N 3.11Å; H562-K564 PolarHBondContact O-N 3.05Å; H562-N565 CarbonylContact O-C 3.46Å; H562-N565 WeakPolarHBondContact O-CA 3.49Å; H562-N565 PolarHBondContact O-N 3.45Å; H562-W566 PolarHBondContact O-N 3.41Å; H562-W566 VanDerWaalsContact O-N 3.07Å; H562-S948 VanDerWaalsContact CE1-CB 3.41Å; H562-S948 WeakPolarHBondContact CE1-CB 3.39Å; H562-S948 PolarHBondContact CE1-OG 3.24Å; H562-S948 VanDerWaalsContact CE1-OG 3.27Å
563T74Confident84.1Confident30 Ų3069.2 Ų69.218%0.18435%0.353CS..G310 helixtrans-54.1-41.9179.853.90000112.5N565 W566 S948T563-N565 PolarHBondContact O-N 3.37Å; T563-W566 VanDerWaalsContact O-CB 3.24Å; T563-W566 WeakPolarHBondContact O-CB 3.41Å; T563-W566 PolarHBondContact O-N 3.46Å; T563-W566 VanDerWaalsContact O-N 3.11Å; T563-S948 PolarHBondContact OG1-OG 3.46Å
564K74.8Confident84.3Confident130 Ų13068 Ų6857%0.56535%0.347SS*.G310 helixtrans-56.2-31.7172.4-69.1177.3-178.31610115H562 S948H562-K564 VanDerWaalsContact C-N 3.3Å; H562-K564 WeakPolarHBondContact ND1-CB 3.47Å; H562-K564 PolarHBondContact ND1-N 2.94Å; H562-K564 VanDerWaalsContact ND1-N 3.11Å; H562-K564 PolarHBondContact O-N 3.05Å; K564-S948 WeakPolarHBondContact CE-O 3.4Å; K564-S948 PolarHBondContact NZ-O 3.16Å
565N78.8Confident84.3Confident119 Ų11967.6 Ų67.664%0.63635%0.349SS*.G310 helixtrans-95.7-6.6-178.8-68.3-0.5000111.9H562 T563 R567H562-N565 CarbonylContact O-C 3.46Å; H562-N565 WeakPolarHBondContact O-CA 3.49Å; H562-N565 PolarHBondContact O-N 3.45Å; T563-N565 PolarHBondContact O-N 3.37Å; N565-R567 PolarHBondContact O-N 2.89Å
566W84.4Confident84.3Confident28 Ų2866.5 Ų66.511%0.10634%0.342CS..  trans-62.3129.6179.1-169.498000110.4H562 T563 P568 N666 I731 L734 E942H562-W566 PolarHBondContact O-N 3.41Å; H562-W566 VanDerWaalsContact O-N 3.07Å; T563-W566 VanDerWaalsContact O-CB 3.24Å; T563-W566 WeakPolarHBondContact O-CB 3.41Å; T563-W566 PolarHBondContact O-N 3.46Å; T563-W566 VanDerWaalsContact O-N 3.11Å; W566-P568 HydrophobicContact CH2-CB 4.24Å; W566-P568 HydrophobicContact CH2-CG 3.87Å; W566-P568 HydrophobicContact CZ3-CG 3.74Å; W566-N666 PolarHBondContact NE1-ND2 3.17Å; W566-N666 VanDerWaalsContact NE1-ND2 3.16Å; W566-I731 HydrophobicContact CH2-CD1 4.35Å; W566-L734 HydrophobicContact CE3-CD2 3.85Å; W566-L734 HydrophobicContact CZ3-CD2 3.53Å; W566-E942 HydrophobicContact CD2-CB 4.1Å; W566-E942 HydrophobicContact CD2-CG 4.12Å; W566-E942 VanDerWaalsContact CE2-CG 3.45Å; W566-E942 HydrophobicContact CE3-CB 4.15Å; W566-E942 HydrophobicContact CE3-CG 4.47Å; W566-E942 HydrophobicContact CH2-CB 4.01Å; W566-E942 HydrophobicContact CH2-CG 3.68Å; W566-E942 HydrophobicContact CZ2-CB 3.94Å; W566-E942 HydrophobicContact CZ2-CG 3.23Å; W566-E942 HydrophobicContact CZ3-CB 4.11Å; W566-E942 HydrophobicContact CZ3-CG 4.27Å
567R86.1Confident84Confident126 Ų12664.7 Ų64.748%0.47534%0.338SS..  trans-137.2150.1175-69.2162-178.4-70.8-9.7107.5N565 Q569 G598 N666N565-R567 PolarHBondContact O-N 2.89Å; R567-Q569 PolarHBondContact O-N 3.4Å; R567-G598 WeakPolarHBondContact CD-O 3.48Å; R567-G598 PolarHBondContact NH1-O 3.28Å; R567-N666 PolarHBondContact O-ND2 3.39Å
568P89.4Confident83.4Confident8 Ų860.6 Ų60.65%0.05233%0.33CS..  trans-60.3113.3172.3-22.332.8000110.4W566 I570 G600 L738W566-P568 HydrophobicContact CH2-CB 4.24Å; W566-P568 HydrophobicContact CH2-CG 3.87Å; W566-P568 HydrophobicContact CZ3-CG 3.74Å; P568-I570 HydrophobicContact CB-CD1 4.22Å; P568-I570 HydrophobicContact CB-CG1 3.98Å; P568-G600 WeakPolarHBondContact O-CA 3.33Å; P568-L738 HydrophobicContact CG-CD1 3.57Å
569Q91Very high83.3Confident31 Ų3162.5 Ų62.515%0.14533%0.331CS..  trans-104.2103.5169.1-61.8-164.862.700106.6R567 L601 E664 H665 N666 T667R567-Q569 PolarHBondContact O-N 3.4Å; Q569-L601 CarbonylContact C-O 3.56Å; Q569-L601 WeakPolarHBondContact CA-O 3.16Å; Q569-L601 HydrophobicContact CB-CB 4.07Å; Q569-L601 HydrophobicContact CG-CB 4.19Å; Q569-E664 VanDerWaalsContact CB-O 3.3Å; Q569-E664 WeakPolarHBondContact CB-O 3.39Å; Q569-E664 PolarHBondContact OE1-O 3.48Å; Q569-H665 CarbonylContact O-C 3.59Å; Q569-H665 VanDerWaalsContact O-CA 3.29Å; Q569-H665 WeakPolarHBondContact O-CA 3.3Å; Q569-H665 WeakPolarHBondContact O-CB 3.44Å; Q569-N666 PolarHBondContact N-OD1 3.44Å; Q569-N666 PolarHBondContact O-N 3.18Å; Q569-N666 PolarHBondContact O-OD1 2.92Å; Q569-T667 PolarHBondContact O-N 2.95Å
570I93.7Very high83.4Confident4 Ų464.9 Ų64.92%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-100.1128.5-157.8-61.4168.2000110.9P568 V572 A592 M595 L601 T602 V603 T667 I669P568-I570 HydrophobicContact CB-CD1 4.22Å; P568-I570 HydrophobicContact CB-CG1 3.98Å; I570-V572 HydrophobicContact CG2-CG2 3.49Å; I570-V572 VanDerWaalsContact CG2-CG2 3.49Å; I570-A592 HydrophobicContact CG2-CB 4.28Å; I570-M595 HydrophobicContact CD1-CB 4.34Å; I570-M595 HydrophobicContact CD1-CE 3.93Å; I570-L601 PolarHBondContact N-O 2.78Å; I570-T602 HydrophobicContact CB-CG2 4.41Å; I570-T602 CarbonylContact O-C 3.59Å; I570-T602 VanDerWaalsContact O-CA 3.27Å; I570-T602 WeakPolarHBondContact O-CA 3.17Å; I570-V603 PolarHBondContact O-N 3.23Å; I570-T667 CarbonylContact C-O 3.42Å; I570-T667 VanDerWaalsContact CA-O 3.31Å; I570-T667 WeakPolarHBondContact CA-O 3.28Å; I570-I669 HydrophobicContact CD1-CD1 4.33Å; I570-I669 HydrophobicContact CG1-CD1 4.48Å; I570-I669 HydrophobicContact CG2-CB 4.42Å; I570-I669 HydrophobicContact CG2-CD1 3.28Å; I570-I669 HydrophobicContact CG2-CG1 3.71Å
571L95.5Very high83.8Confident0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-104.4111.1163.7-177.366.7000108.9F573 V603 A605 V655 S658 H665 T667 V668 I669L571-F573 HydrophobicContact CD2-CE2 3.75Å; L571-F573 HydrophobicContact CD2-CZ 3.74Å; L571-F573 HydrophobicContact CG-CE2 4.13Å; L571-F573 HydrophobicContact CG-CZ 4.33Å; L571-V603 HydrophobicContact CD1-CB 3.86Å; L571-V603 HydrophobicContact CD1-CG1 3.92Å; L571-A605 HydrophobicContact CD1-CB 3.53Å; L571-A605 HydrophobicContact CG-CB 4.2Å; L571-V655 HydrophobicContact CD2-CG2 4.44Å; L571-S658 WeakPolarHBondContact CD1-OG 3.35Å; L571-H665 HydrophobicContact CB-CB 3.78Å; L571-T667 PolarHBondContact N-O 2.97Å; L571-V668 HydrophobicContact CD2-CG2 4.48Å; L571-V668 CarbonylContact O-C 3.58Å; L571-V668 WeakPolarHBondContact O-CA 3.42Å; L571-I669 PolarHBondContact O-N 3.13Å
572V94.7Very high84.1Confident0 Ų061 Ų610%030%0.297CS..EExtended strand (participates in β ladder)trans-100118.8-179.5-170.60000109.3I570 C574 L588 V589 A592 T602 V603 L604 A605 I669I570-V572 HydrophobicContact CG2-CG2 3.49Å; I570-V572 VanDerWaalsContact CG2-CG2 3.49Å; V572-C574 PolarHBondContact O-N 3.09Å; V572-L588 HydrophobicContact CG1-CB 4.25Å; V572-V589 HydrophobicContact CG1-CG2 4.22Å; V572-A592 HydrophobicContact CG2-CB 3.54Å; V572-T602 HydrophobicContact CG2-CG2 4.25Å; V572-V603 PolarHBondContact N-O 2.68Å; V572-L604 HydrophobicContact CB-CD2 3.92Å; V572-L604 HydrophobicContact CG2-CD2 4.02Å; V572-A605 PolarHBondContact O-N 2.86Å; V572-I669 HydrophobicContact CG1-CB 4.44Å; V572-I669 HydrophobicContact CG1-CG2 4.42Å; V572-I669 HydrophobicContact CG2-CB 4.41Å; V572-I669 HydrophobicContact CG2-CD1 4.34Å
573F94.6Very high84.2Confident21 Ų2161.7 Ų61.79%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-83.6114.1172.3-74.5-80.1000111.3L571 A605 V607 I651 L654 V655 V668 I669 I670L571-F573 HydrophobicContact CD2-CE2 3.75Å; L571-F573 HydrophobicContact CD2-CZ 3.74Å; L571-F573 HydrophobicContact CG-CE2 4.13Å; L571-F573 HydrophobicContact CG-CZ 4.33Å; F573-A605 CarbonylContact C-O 3.6Å; F573-A605 WeakPolarHBondContact CA-O 3.39Å; F573-A605 HydrophobicContact CD1-CB 4.04Å; F573-A605 HydrophobicContact CE1-CB 4.03Å; F573-V607 HydrophobicContact CE1-CG2 4.41Å; F573-I651 HydrophobicContact CD1-CG1 4.11Å; F573-I651 HydrophobicContact CE1-CB 4.19Å; F573-I651 HydrophobicContact CE1-CG1 3.89Å; F573-I651 HydrophobicContact CE1-CG2 3.99Å; F573-I651 HydrophobicContact CE2-CG2 3.98Å; F573-I651 HydrophobicContact CZ-CB 4.3Å; F573-I651 HydrophobicContact CZ-CG1 4.44Å; F573-I651 HydrophobicContact CZ-CG2 3.66Å; F573-L654 HydrophobicContact CE1-CB 3.97Å; F573-L654 HydrophobicContact CE1-CD1 3.79Å; F573-L654 HydrophobicContact CZ-CB 3.9Å; F573-V655 HydrophobicContact CE2-CG2 3.76Å; F573-V655 HydrophobicContact CZ-CG2 3.82Å; F573-V668 HydrophobicContact CD2-CG1 3.75Å; F573-V668 HydrophobicContact CE2-CG1 3.65Å; F573-I669 PolarHBondContact N-O 3.4Å; F573-I670 HydrophobicContact CB-CG2 4.05Å; F573-I670 HydrophobicContact CD2-CG2 3.69Å; F573-I670 HydrophobicContact CG-CG2 4.25Å
574C91.3Very high84.6Confident6 Ų660.7 Ų60.74%0.04130%0.302CS..  trans-101.8122.6179.9-630000110.3V572 V576 M581 V589 A605 A606 L626V572-C574 PolarHBondContact O-N 3.09Å; C574-V576 HydrophobicContact CB-CG2 4.35Å; C574-V576 PolarHBondContact O-N 2.7Å; C574-M581 HydrophobicContact CB-SD 3.75Å; C574-V589 WeakPolarHBondContact SG-CG2 3.24Å; C574-A605 PolarHBondContact N-O 3.25Å; C574-A606 WeakPolarHBondContact O-CB 3.45Å; C574-L626 HydrophobicContact CB-CD2 4.06Å
575K87.4Confident85.1Confident143 Ų14355 Ų5562%0.62228%0.281SS*.  trans-84.6102.9169.3-171.8170.3-176.7167.30109.7
576V84.8Confident85.6Confident28 Ų2851.3 Ų51.317%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-98.5134.5176-172.20000109.2C574 G578 M581 A606 T622 T625 L626C574-V576 HydrophobicContact CB-CG2 4.35Å; C574-V576 PolarHBondContact O-N 2.7Å; V576-G578 WeakPolarHBondContact CG1-O 3.3Å; V576-M581 HydrophobicContact CG2-CG 4.48Å; V576-M581 HydrophobicContact CG2-SD 4.48Å; V576-A606 HydrophobicContact CG2-CB 4.33Å; V576-T622 HydrophobicContact CB-CG2 3.91Å; V576-T622 HydrophobicContact CG1-CG2 4Å; V576-T622 HydrophobicContact CG2-CG2 4.07Å; V576-T625 HydrophobicContact CG1-CG2 4.09Å; V576-L626 HydrophobicContact CG2-CD2 4.04Å; V576-L626 HydrophobicContact CG2-CG 4.45Å
577S76.9Confident85.9Confident63 Ų6350.8 Ų50.844%0.44126%0.258SS..EExtended strand (participates in β ladder)trans-122.599176.1-63.30000108.7R579 V580S577-R579 PolarHBondContact O-N 3.05Å; S577-V580 PolarHBondContact N-O 2.88Å; S577-V580 VanDerWaalsContact N-O 3.1Å; S577-V580 PolarHBondContact O-N 3.22Å
578G70.6Confident86.1Confident41 Ų4145.2 Ų45.242%0.42324%0.238SC..THydrogen-bonded Turntrans66.5-126.6-173.200000111.7V576V576-G578 WeakPolarHBondContact CG1-O 3.3Å
579R74.4Confident86.2Confident189 Ų18944.8 Ų44.871%0.71324%0.235SC*.THydrogen-bonded Turntrans-90.21.8-179.6-71.9-173.9179.1-172.5-1.9114.6S577 A621 T625S577-R579 PolarHBondContact O-N 3.05Å; R579-A621 HydrophobicContact CG-CB 4.32Å; R579-T625 WeakPolarHBondContact CA-OG1 3.4Å; R579-T625 PolarHBondContact O-OG1 3.31Å; R579-T625 VanDerWaalsContact O-OG1 3.08Å
580V78.7Confident86.2Confident101 Ų10143.3 Ų43.361%0.61223%0.228SC*.EExtended strand (participates in β ladder)trans-123.6132.8-173.1-175.10000110S577S577-V580 PolarHBondContact N-O 2.88Å; S577-V580 VanDerWaalsContact N-O 3.1Å; S577-V580 PolarHBondContact O-N 3.22Å
581M84Confident86.2Confident5 Ų543.2 Ų43.23%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-92.7133.7165.9-162.6166.570.800108.5C574 V576 G585 E586 V589 T625 V629C574-M581 HydrophobicContact CB-SD 3.75Å; V576-M581 HydrophobicContact CG2-CG 4.48Å; V576-M581 HydrophobicContact CG2-SD 4.48Å; M581-G585 VanDerWaalsContact CE-C 3.46Å; M581-G585 WeakPolarHBondContact CE-O 3.46Å; M581-E586 HydrophobicContact CB-CG 4.31Å; M581-E586 HydrophobicContact CE-CB 3.99Å; M581-E586 HydrophobicContact CE-CG 3.38Å; M581-E586 HydrophobicContact CG-CG 4.49Å; M581-V589 HydrophobicContact CE-CB 4.47Å; M581-V589 HydrophobicContact CE-CG2 3.93Å; M581-V589 HydrophobicContact SD-CG2 4.49Å; M581-T625 HydrophobicContact CB-CG2 4.46Å; M581-V629 HydrophobicContact CB-CG2 4.37Å; M581-V629 HydrophobicContact CE-CB 4.24Å; M581-V629 HydrophobicContact CE-CG1 3.41Å; M581-V629 VanDerWaalsContact CE-CG1 3.41Å; M581-V629 HydrophobicContact CE-CG2 3.84Å; M581-V629 HydrophobicContact SD-CG1 4.47Å
582K82.7Confident86Confident134 Ų13443.2 Ų43.258%0.58323%0.228SC*.  trans-67.2154.2178.7-65.7-170.8177.2-167.20110.7G584 G585 E586K582-G584 PolarHBondContact O-N 3.16Å; K582-G585 WeakPolarHBondContact O-CA 3.5Å; K582-G585 PolarHBondContact O-N 2.87Å; K582-E586 PolarHBondContact O-N 2.88Å
583T81.4Confident85.8Confident89 Ų8944 Ų4455%0.54623%0.233SC..Hα-helixtrans-48-51.6179.8-45.80000112.6G585 E586 K587T583-G585 VanDerWaalsContact C-N 3.26Å; T583-G585 PolarHBondContact O-N 3.12Å; T583-E586 WeakPolarHBondContact O-CA 3.43Å; T583-E586 WeakPolarHBondContact O-CB 3.5Å; T583-E586 PolarHBondContact O-N 3.33Å; T583-K587 WeakPolarHBondContact O-CG 3.38Å; T583-K587 PolarHBondContact O-N 3.46Å
584G81.2Confident85.6Confident8 Ų843 Ų438%0.08223%0.229CC..Hα-helixtrans-57.6-35.9176.600000114.3K582 E586 K587 L588 S706 D707K582-G584 PolarHBondContact O-N 3.16Å; G584-E586 VanDerWaalsContact C-N 3.35Å; G584-K587 PolarHBondContact O-N 3.46Å; G584-L588 WeakPolarHBondContact O-CG 3.16Å; G584-L588 PolarHBondContact O-N 3.2Å; G584-S706 VanDerWaalsContact CA-OG 3.27Å; G584-S706 WeakPolarHBondContact CA-OG 3.35Å; G584-D707 WeakPolarHBondContact CA-OD1 3.1Å; G584-D707 PolarHBondContact N-OD1 2.82Å
585G86Confident85.3Confident11 Ų1142.8 Ų42.811%0.11323%0.227CC..Hα-helixtrans-65.2-38172.200000112.5M581 K582 T583 L588 V589M581-G585 VanDerWaalsContact CE-C 3.46Å; M581-G585 WeakPolarHBondContact CE-O 3.46Å; K582-G585 WeakPolarHBondContact O-CA 3.5Å; K582-G585 PolarHBondContact O-N 2.87Å; T583-G585 VanDerWaalsContact C-N 3.26Å; T583-G585 PolarHBondContact O-N 3.12Å; G585-L588 WeakPolarHBondContact O-CB 3.37Å; G585-L588 PolarHBondContact O-N 3.45Å; G585-V589 WeakPolarHBondContact O-CG2 3.19Å; G585-V589 PolarHBondContact O-N 2.66Å
586E89.1Confident84.4Confident41 Ų4138.3 Ų38.319%0.19221%0.208CC..Hα-helixtrans-66.6-42.7176.1-67.1-169.7-175.200111M581 K582 T583 G584 L588 V589 A590 R632 M633M581-E586 HydrophobicContact CB-CG 4.31Å; M581-E586 HydrophobicContact CE-CB 3.99Å; M581-E586 HydrophobicContact CE-CG 3.38Å; M581-E586 HydrophobicContact CG-CG 4.49Å; K582-E586 PolarHBondContact O-N 2.88Å; T583-E586 WeakPolarHBondContact O-CA 3.43Å; T583-E586 WeakPolarHBondContact O-CB 3.5Å; T583-E586 PolarHBondContact O-N 3.33Å; G584-E586 VanDerWaalsContact C-N 3.35Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.38Å; E586-V589 CarbonylContact O-C 3.51Å; E586-V589 WeakPolarHBondContact O-CA 3.46Å; E586-V589 WeakPolarHBondContact O-CB 3.39Å; E586-V589 PolarHBondContact O-N 2.99Å; E586-V589 VanDerWaalsContact O-N 3.1Å; E586-A590 PolarHBondContact O-N 3.42Å; E586-R632 IonicContact OE1-CZ 3.58Å; E586-R632 IonicContact OE1-NH2 2.69Å; E586-R632 PolarHBondContact OE1-NH2 2.55Å; E586-R632 IonicContact OE2-CZ 3.71Å; E586-R632 IonicContact OE2-NH2 3.92Å; E586-R632 PolarHBondContact OE2-NH2 3.06Å; E586-M633 HydrophobicContact CB-CE 3.98Å; E586-M633 WeakPolarHBondContact O-CE 3.33Å
587K90.6Very high83.3Confident17 Ų1738.7 Ų38.77%0.07421%0.214CC..Hα-helixtrans-64.8-34.9176.6-61.5-56.3-161.5170.80113.1T583 G584 V589 A590 F591 S706 F709 D711 E714T583-K587 WeakPolarHBondContact O-CG 3.38Å; T583-K587 PolarHBondContact O-N 3.46Å; G584-K587 PolarHBondContact O-N 3.46Å; K587-V589 VanDerWaalsContact C-N 3.3Å; K587-V589 PolarHBondContact O-N 3.03Å; K587-A590 PolarHBondContact O-N 3.47Å; K587-F591 WeakPolarHBondContact O-CB 3.17Å; K587-F591 PolarHBondContact O-N 3.22Å; K587-S706 WeakPolarHBondContact CB-O 3.35Å; K587-S706 VanDerWaalsContact CG-O 3.28Å; K587-S706 WeakPolarHBondContact CG-O 3.45Å; K587-F709 HydrophobicContact CB-CB 4.18Å; K587-F709 WeakPolarHBondContact CD-O 3.06Å; K587-F709 WeakPolarHBondContact CE-O 3.35Å; K587-F709 PolarHBondContact NZ-O 3.4Å; K587-D711 VanDerWaalsContact CD-OD1 3.26Å; K587-D711 WeakPolarHBondContact CD-OD1 3.29Å; K587-D711 WeakPolarHBondContact CE-OD1 3.35Å; K587-D711 IonicContact NZ-OD1 3.92Å; K587-D711 PolarHBondContact NZ-OD1 2.87Å; K587-D711 IonicContact NZ-OD2 3.88Å; K587-D711 PolarHBondContact NZ-OD2 3.35Å; K587-E714 IonicContact NZ-OE1 3.68Å; K587-E714 PolarHBondContact NZ-OE1 3.14Å
588L91.1Very high82.5Confident9 Ų935.9 Ų35.95%0.04720%0.195CC..Hα-helixtrans-57.7-45.4169.9-73171.8000111.4V572 G584 G585 E586 F591 A592 I669 L703V572-L588 HydrophobicContact CG1-CB 4.25Å; G584-L588 WeakPolarHBondContact O-CG 3.16Å; G584-L588 PolarHBondContact O-N 3.2Å; G585-L588 WeakPolarHBondContact O-CB 3.37Å; G585-L588 PolarHBondContact O-N 3.45Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.38Å; L588-F591 PolarHBondContact O-N 3.05Å; L588-A592 PolarHBondContact O-N 3.35Å; L588-I669 HydrophobicContact CD2-CG2 4.01Å; L588-L703 HydrophobicContact CD2-CB 3.67Å; L588-L703 HydrophobicContact CD2-CD1 3.76Å; L588-L703 HydrophobicContact CD2-CD2 3.95Å; L588-L703 HydrophobicContact CD2-CG 3.97Å
589V91.4Very high82.8Confident0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-68.4-39.1179.1176.60000111.2V572 C574 M581 G585 E586 K587 A592 S593 L604 V629 M633 I635V572-V589 HydrophobicContact CG1-CG2 4.22Å; C574-V589 WeakPolarHBondContact SG-CG2 3.24Å; M581-V589 HydrophobicContact CE-CB 4.47Å; M581-V589 HydrophobicContact CE-CG2 3.93Å; M581-V589 HydrophobicContact SD-CG2 4.49Å; G585-V589 WeakPolarHBondContact O-CG2 3.19Å; G585-V589 PolarHBondContact O-N 2.66Å; E586-V589 CarbonylContact O-C 3.51Å; E586-V589 WeakPolarHBondContact O-CA 3.46Å; E586-V589 WeakPolarHBondContact O-CB 3.39Å; E586-V589 PolarHBondContact O-N 2.99Å; E586-V589 VanDerWaalsContact O-N 3.1Å; K587-V589 VanDerWaalsContact C-N 3.3Å; K587-V589 PolarHBondContact O-N 3.03Å; V589-A592 PolarHBondContact O-N 2.81Å; V589-S593 PolarHBondContact O-N 2.86Å; V589-L604 HydrophobicContact CG1-CD1 4.12Å; V589-L604 HydrophobicContact CG1-CD2 4.02Å; V589-L604 HydrophobicContact CG2-CD2 3.92Å; V589-V629 HydrophobicContact CB-CG1 4.42Å; V589-V629 HydrophobicContact CG1-CG1 3.94Å; V589-V629 HydrophobicContact CG2-CG1 4.43Å; V589-M633 HydrophobicContact CG1-CB 4.19Å; V589-M633 HydrophobicContact CG1-CG 4.02Å; V589-I635 HydrophobicContact CB-CD1 4.46Å; V589-I635 HydrophobicContact CG1-CD1 3.15Å; V589-I635 WeakPolarHBondContact O-CD1 3.45Å
590A91Very high83.1Confident0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-59.8-48.7172.400000111.1E586 K587 A592 S593 Q594 M633 N712E586-A590 PolarHBondContact O-N 3.42Å; K587-A590 PolarHBondContact O-N 3.47Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 3.42Å; A590-S593 CarbonylContact O-C 3.56Å; A590-S593 WeakPolarHBondContact O-CA 3.45Å; A590-S593 VanDerWaalsContact O-CB 3.28Å; A590-S593 WeakPolarHBondContact O-CB 3.32Å; A590-S593 PolarHBondContact O-N 3Å; A590-S593 VanDerWaalsContact O-N 3.07Å; A590-Q594 VanDerWaalsContact O-CG 3.25Å; A590-Q594 WeakPolarHBondContact O-CG 3.26Å; A590-Q594 PolarHBondContact O-N 3.25Å; A590-M633 HydrophobicContact CB-CE 3.71Å; A590-M633 HydrophobicContact CB-SD 4.4Å; A590-N712 PolarHBondContact O-OD1 3.12Å
591F92.5Very high83.6Confident1 Ų130.5 Ų30.50%0.00416%0.162CC..Hα-helixtrans-59.5-42.9178-176.1-102.1000112.3K587 L588 S593 Q594 M595 I701 L703 F709 L739 L902 V934K587-F591 WeakPolarHBondContact O-CB 3.17Å; K587-F591 PolarHBondContact O-N 3.22Å; L588-F591 PolarHBondContact O-N 3.05Å; F591-S593 VanDerWaalsContact C-N 3.33Å; F591-S593 PolarHBondContact O-N 2.96Å; F591-Q594 WeakPolarHBondContact O-CB 3.4Å; F591-Q594 PolarHBondContact O-N 3.11Å; F591-Q594 VanDerWaalsContact O-N 3.1Å; F591-M595 HydrophobicContact CD1-CE 3.55Å; F591-M595 HydrophobicContact CD1-SD 4.21Å; F591-M595 HydrophobicContact CE1-CE 3.43Å; F591-M595 VanDerWaalsContact CE1-CE 3.43Å; F591-M595 HydrophobicContact CE1-CG 4.42Å; F591-M595 HydrophobicContact CE1-SD 3.57Å; F591-M595 VanDerWaalsContact CE1-SD 3.57Å; F591-M595 HydrophobicContact CZ-CE 4.37Å; F591-M595 HydrophobicContact CZ-SD 3.98Å; F591-M595 PolarHBondContact O-N 3.15Å; F591-I701 HydrophobicContact CE1-CG2 4.15Å; F591-L703 HydrophobicContact CB-CD2 3.65Å; F591-L703 HydrophobicContact CD1-CD1 3.71Å; F591-L703 HydrophobicContact CD1-CD2 3.71Å; F591-L703 HydrophobicContact CD1-CG 4.18Å; F591-L703 HydrophobicContact CD2-CD2 4.12Å; F591-L703 HydrophobicContact CE1-CD1 3.93Å; F591-L703 HydrophobicContact CE1-CD2 4.36Å; F591-L703 HydrophobicContact CE1-CG 4.44Å; F591-L703 HydrophobicContact CG-CD1 4.44Å; F591-L703 HydrophobicContact CG-CD2 3.56Å; F591-L703 HydrophobicContact CG-CG 4.46Å; F591-F709 AromaticContact CD2-CD1 3.75Å; F591-F709 HydrophobicContact CD2-CD1 3.75Å; F591-F709 AromaticContact CD2-CE1 3.81Å; F591-F709 HydrophobicContact CD2-CE1 3.81Å; F591-F709 HydrophobicContact CE2-CD1 4.25Å; F591-F709 AromaticContact CE2-CE1 3.87Å; F591-F709 HydrophobicContact CE2-CE1 3.87Å; F591-F709 HydrophobicContact CG-CD1 4.4Å; F591-L739 HydrophobicContact CD2-CD2 4.32Å; F591-L739 HydrophobicContact CE2-CD1 3.76Å; F591-L739 HydrophobicContact CE2-CD2 3.91Å; F591-L739 HydrophobicContact CE2-CG 4.46Å; F591-L739 HydrophobicContact CZ-CD1 4.09Å; F591-L739 HydrophobicContact CZ-CD2 4.43Å; F591-L902 HydrophobicContact CE2-CD2 4.48Å; F591-V934 HydrophobicContact CE2-CG2 4.26Å; F591-V934 HydrophobicContact CZ-CG1 4.39Å; F591-V934 HydrophobicContact CZ-CG2 3.91Å
592A91.5Very high84Confident0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-59.8-42173.300000112.4I570 V572 L588 V589 A590 Q594 M595 T602 I669I570-A592 HydrophobicContact CG2-CB 4.28Å; V572-A592 HydrophobicContact CG2-CB 3.54Å; L588-A592 PolarHBondContact O-N 3.35Å; V589-A592 PolarHBondContact O-N 2.81Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 3.42Å; A592-Q594 VanDerWaalsContact C-N 3.29Å; A592-Q594 PolarHBondContact O-N 3.28Å; A592-M595 PolarHBondContact O-N 3.47Å; A592-T602 HydrophobicContact CB-CG2 4.48Å; A592-I669 HydrophobicContact CB-CD1 3.92Å
593S90Very high84.5Confident16 Ų1624.3 Ų24.311%0.11214%0.135CC..Hα-helixtrans-62.5-36.2173.7-1650000112.1V589 A590 F591 M595 K596 M633V589-S593 PolarHBondContact O-N 2.86Å; A590-S593 CarbonylContact O-C 3.56Å; A590-S593 WeakPolarHBondContact O-CA 3.45Å; A590-S593 VanDerWaalsContact O-CB 3.28Å; A590-S593 WeakPolarHBondContact O-CB 3.32Å; A590-S593 PolarHBondContact O-N 3Å; A590-S593 VanDerWaalsContact O-N 3.07Å; F591-S593 VanDerWaalsContact C-N 3.33Å; F591-S593 PolarHBondContact O-N 2.96Å; S593-M595 VanDerWaalsContact C-N 3.33Å; S593-M595 PolarHBondContact O-N 2.92Å; S593-K596 WeakPolarHBondContact O-CB 2.96Å; S593-K596 PolarHBondContact O-N 3.33Å; S593-M633 PolarHBondContact OG-O 2.83Å
594Q90.3Very high85.1Confident0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-67.2-32.9-179.3-69.4161.124.600112.4A590 F591 A592 K596 P710 N712 L739 N742 V744A590-Q594 VanDerWaalsContact O-CG 3.25Å; A590-Q594 WeakPolarHBondContact O-CG 3.26Å; A590-Q594 PolarHBondContact O-N 3.25Å; F591-Q594 WeakPolarHBondContact O-CB 3.4Å; F591-Q594 PolarHBondContact O-N 3.11Å; F591-Q594 VanDerWaalsContact O-N 3.1Å; A592-Q594 VanDerWaalsContact C-N 3.29Å; A592-Q594 PolarHBondContact O-N 3.28Å; Q594-K596 PolarHBondContact O-N 3.18Å; Q594-P710 PolarHBondContact NE2-O 2.77Å; Q594-N712 WeakPolarHBondContact CG-OD1 3.43Å; Q594-N712 PolarHBondContact NE2-OD1 3.39Å; Q594-L739 HydrophobicContact CB-CD2 3.88Å; Q594-N742 WeakPolarHBondContact CA-ND2 3.1Å; Q594-N742 HydrophobicContact CB-CB 4.49Å; Q594-N742 VanDerWaalsContact O-CB 3.3Å; Q594-N742 WeakPolarHBondContact O-CB 3.03Å; Q594-N742 PolarHBondContact O-ND2 3.32Å; Q594-V744 HydrophobicContact CG-CB 4.42Å; Q594-V744 HydrophobicContact CG-CG2 4.09Å
595M85.4Confident85.8Confident3 Ų319.7 Ų19.72%0.01511%0.106CC..G310 helixtrans-75.5-6.2176-65.4-174.5-69.700114.1I570 F591 A592 S593 A597 G598 I669 I701 L735 L739I570-M595 HydrophobicContact CD1-CB 4.34Å; I570-M595 HydrophobicContact CD1-CE 3.93Å; F591-M595 HydrophobicContact CD1-CE 3.55Å; F591-M595 HydrophobicContact CD1-SD 4.21Å; F591-M595 HydrophobicContact CE1-CE 3.43Å; F591-M595 VanDerWaalsContact CE1-CE 3.43Å; F591-M595 HydrophobicContact CE1-CG 4.42Å; F591-M595 HydrophobicContact CE1-SD 3.57Å; F591-M595 VanDerWaalsContact CE1-SD 3.57Å; F591-M595 HydrophobicContact CZ-CE 4.37Å; F591-M595 HydrophobicContact CZ-SD 3.98Å; F591-M595 PolarHBondContact O-N 3.15Å; A592-M595 PolarHBondContact O-N 3.47Å; S593-M595 VanDerWaalsContact C-N 3.33Å; S593-M595 PolarHBondContact O-N 2.92Å; M595-A597 PolarHBondContact O-N 2.95Å; M595-A597 VanDerWaalsContact O-N 3.11Å; M595-G598 PolarHBondContact O-N 3.11Å; M595-I669 HydrophobicContact CE-CD1 3.29Å; M595-I669 HydrophobicContact CE-CG1 4.45Å; M595-I701 HydrophobicContact CE-CD1 4.32Å; M595-I701 HydrophobicContact SD-CD1 4.29Å; M595-L735 HydrophobicContact SD-CD2 3.67Å; M595-L739 HydrophobicContact CG-CD2 3.63Å; M595-L739 HydrophobicContact CG-CG 4.16Å
596K69.8Low86.2Confident48 Ų4819.3 Ų19.321%0.20910%0.101CC..G310 helixtrans-76.33.6-169.1-153.4-166.1160.4178.10115.5S593 Q594 G598 K599 M636S593-K596 WeakPolarHBondContact O-CB 2.96Å; S593-K596 PolarHBondContact O-N 3.33Å; Q594-K596 PolarHBondContact O-N 3.18Å; K596-G598 PolarHBondContact O-N 2.84Å; K596-K599 PolarHBondContact O-N 3.38Å; K596-M636 VanDerWaalsContact NZ-CA 3.3Å; K596-M636 VanDerWaalsContact NZ-CG 3.29Å; K596-M636 VanDerWaalsContact NZ-N 3.19Å; K596-M636 PolarHBondContact NZ-O 3.09Å
597A61.1Low86.4Confident37 Ų3718.8 Ų18.831%0.30610%0.101SC..G310 helixtrans-55.2-24166.500000111.5M595 K599 Q741M595-A597 PolarHBondContact O-N 2.95Å; M595-A597 VanDerWaalsContact O-N 3.11Å; A597-K599 PolarHBondContact O-N 3.26Å; A597-Q741 HydrophobicContact CB-CB 3.44Å; A597-Q741 VanDerWaalsContact CB-CB 3.44Å; A597-Q741 HydrophobicContact CB-CG 4.34Å
598G59.8Low86.5Confident4 Ų418.7 Ų18.74%0.04110%0.101CC..G310 helixtrans-66.2-8170.100000116.6R567 M595 K596 G600R567-G598 WeakPolarHBondContact CD-O 3.48Å; R567-G598 PolarHBondContact NH1-O 3.28Å; M595-G598 PolarHBondContact O-N 3.11Å; K596-G598 PolarHBondContact O-N 2.84Å; G598-G600 PolarHBondContact O-N 3.29Å; G598-G600 VanDerWaalsContact O-N 3.11Å
599K76.2Confident86.5Confident183 Ų18324.1 Ų24.180%0.79613%0.126SC*.  trans54.420.2-177.6-59.9-176.6180178.40115.5K596 A597K596-K599 PolarHBondContact O-N 3.38Å; A597-K599 PolarHBondContact O-N 3.26Å
600G82.3Confident86.6Confident15 Ų1525.2 Ų25.216%0.15514%0.138CC..  trans-75.5168.3179.300000114P568 G598P568-G600 WeakPolarHBondContact O-CA 3.33Å; G598-G600 PolarHBondContact O-N 3.29Å; G598-G600 VanDerWaalsContact O-N 3.11Å
601L88Confident86.7Confident20 Ų2032.9 Ų32.911%0.10517%0.166CC..  trans-60.5144.8172.4177.563.6000110.2Q569 I570 V603 F638 M663Q569-L601 CarbonylContact C-O 3.56Å; Q569-L601 WeakPolarHBondContact CA-O 3.16Å; Q569-L601 HydrophobicContact CB-CB 4.07Å; Q569-L601 HydrophobicContact CG-CB 4.19Å; I570-L601 PolarHBondContact N-O 2.78Å; L601-V603 HydrophobicContact CD1-CG2 4.13Å; L601-V603 HydrophobicContact CD2-CG2 4.13Å; L601-V603 HydrophobicContact CG-CG2 4Å; L601-F638 HydrophobicContact CD1-CD2 3.51Å; L601-F638 HydrophobicContact CD1-CE2 3.66Å; L601-M663 HydrophobicContact CD1-CE 3.82Å; L601-M663 HydrophobicContact CD2-CB 4.42Å; L601-M663 HydrophobicContact CD2-CE 4.48Å
602T92.1Very high86.6Confident1 Ų139.4 Ų39.41%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-136.4124.7169.6-53.50000108.2I570 V572 A592 L604 I635 G637 F638I570-T602 HydrophobicContact CB-CG2 4.41Å; I570-T602 CarbonylContact O-C 3.59Å; I570-T602 VanDerWaalsContact O-CA 3.27Å; I570-T602 WeakPolarHBondContact O-CA 3.17Å; V572-T602 HydrophobicContact CG2-CG2 4.25Å; A592-T602 HydrophobicContact CB-CG2 4.48Å; T602-L604 HydrophobicContact CG2-CD2 4.36Å; T602-I635 HydrophobicContact CG2-CG2 4Å; T602-G637 CarbonylContact O-C 3.49Å; T602-G637 VanDerWaalsContact O-C 3.3Å; T602-G637 WeakPolarHBondContact O-CA 3.46Å; T602-F638 PolarHBondContact O-N 2.93Å
603V93.8Very high86.6Confident7 Ų744.2 Ų44.24%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-119.6120.9177.2-175.90000108.1I570 L571 V572 L601 F638 E640I570-V603 PolarHBondContact O-N 3.23Å; L571-V603 HydrophobicContact CD1-CB 3.86Å; L571-V603 HydrophobicContact CD1-CG1 3.92Å; V572-V603 PolarHBondContact N-O 2.68Å; L601-V603 HydrophobicContact CD1-CG2 4.13Å; L601-V603 HydrophobicContact CD2-CG2 4.13Å; L601-V603 HydrophobicContact CG-CG2 4Å; V603-F638 WeakPolarHBondContact CA-O 3.36Å; V603-F638 HydrophobicContact CG2-CB 4.49Å; V603-E640 HydrophobicContact CG1-CB 3.89Å
604L94.1Very high86.7Confident0 Ų049.1 Ų49.10%025%0.249CC..EExtended strand (participates in β ladder)trans-86.2107.3172-54.9-173.7000108.5V572 V589 T602 L626 R630 F638 Y639 E640V572-L604 HydrophobicContact CB-CD2 3.92Å; V572-L604 HydrophobicContact CG2-CD2 4.02Å; V589-L604 HydrophobicContact CG1-CD1 4.12Å; V589-L604 HydrophobicContact CG1-CD2 4.02Å; V589-L604 HydrophobicContact CG2-CD2 3.92Å; T602-L604 HydrophobicContact CG2-CD2 4.36Å; L604-L626 HydrophobicContact CB-CD2 4.27Å; L604-R630 HydrophobicContact CD1-CB 4.05Å; L604-F638 PolarHBondContact N-O 2.98Å; L604-Y639 CarbonylContact O-C 3.54Å; L604-Y639 WeakPolarHBondContact O-CA 3.48Å; L604-E640 PolarHBondContact O-N 3.5Å
605A94.8Very high86.7Confident0 Ų050.7 Ų50.70%026%0.257CS..EExtended strand (participates in β ladder)trans-101.8138.4-177.500000111.3L571 V572 F573 C574 E640 L654L571-A605 HydrophobicContact CD1-CB 3.53Å; L571-A605 HydrophobicContact CG-CB 4.2Å; V572-A605 PolarHBondContact O-N 2.86Å; F573-A605 CarbonylContact C-O 3.6Å; F573-A605 WeakPolarHBondContact CA-O 3.39Å; F573-A605 HydrophobicContact CD1-CB 4.04Å; F573-A605 HydrophobicContact CE1-CB 4.03Å; C574-A605 PolarHBondContact N-O 3.25Å; A605-E640 VanDerWaalsContact CA-O 3.3Å; A605-E640 WeakPolarHBondContact CA-O 3.24Å; A605-L654 HydrophobicContact CB-CD1 4.19Å
606A94.4Very high86.9Confident3 Ų357.1 Ų57.13%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-133.4148.6168.300000110.5C574 V576 T622 L626 E640 L641 L642C574-A606 WeakPolarHBondContact O-CB 3.45Å; V576-A606 HydrophobicContact CG2-CB 4.33Å; A606-T622 HydrophobicContact CB-CG2 4.31Å; A606-L626 HydrophobicContact CB-CD1 4.14Å; A606-E640 PolarHBondContact N-O 3.36Å; A606-L641 HydrophobicContact CB-CD1 3.78Å; A606-L641 WeakPolarHBondContact O-CA 3.4Å; A606-L641 WeakPolarHBondContact O-CD1 3.47Å; A606-L642 PolarHBondContact O-N 3.29Å
607V94.1Very high87.8Confident30 Ų3059.6 Ų59.618%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-119.1123.7175.8-179.50000108.6F573 L642 A644 V647 I651 L654F573-V607 HydrophobicContact CE1-CG2 4.41Å; V607-L642 CarbonylContact C-O 3.6Å; V607-L642 WeakPolarHBondContact CA-O 3.38Å; V607-A644 HydrophobicContact CG1-CB 4.31Å; V607-V647 HydrophobicContact CB-CG1 4.47Å; V607-V647 HydrophobicContact CG1-CG1 4.29Å; V607-I651 HydrophobicContact CG2-CG1 3.92Å; V607-L654 HydrophobicContact CG2-CD1 3.49Å; V607-L654 VanDerWaalsContact CG2-CD1 3.49Å
608I92.3Very high89.2Confident16 Ų1661.9 Ų61.98%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-102.4127.1173.7-66.3169.6000108G610 M615 M618 V619 T622 L641 L642 V643 A644I608-G610 PolarHBondContact O-N 3.43Å; I608-M615 HydrophobicContact CG2-CE 3.29Å; I608-M618 HydrophobicContact CD1-CG 4.07Å; I608-M618 HydrophobicContact CD1-SD 4.4Å; I608-M618 HydrophobicContact CG2-SD 3.81Å; I608-V619 HydrophobicContact CD1-CG2 4.34Å; I608-T622 HydrophobicContact CD1-CG2 4.35Å; I608-L641 HydrophobicContact CD1-CD1 3.75Å; I608-L641 HydrophobicContact CD1-CD2 3.97Å; I608-L641 HydrophobicContact CD1-CG 4.25Å; I608-L641 HydrophobicContact CG1-CD1 3.9Å; I608-L642 PolarHBondContact N-O 2.83Å; I608-V643 HydrophobicContact CB-CG2 4.31Å; I608-V643 WeakPolarHBondContact O-CA 3.44Å; I608-A644 PolarHBondContact O-N 3.33Å
609Q92.5Very high90.7Very high123 Ų12362.2 Ų62.258%0.57532%0.315SS*.EExtended strand (participates in β ladder)trans-76.6122.8174.4-163.8175.55.300110.4A644 R645 V647Q609-A644 CarbonylContact C-O 3.52Å; Q609-A644 VanDerWaalsContact CA-O 3.27Å; Q609-A644 WeakPolarHBondContact CA-O 3.23Å; Q609-R645 VanDerWaalsContact CG-O 3.24Å; Q609-R645 WeakPolarHBondContact CG-O 3.3Å; Q609-R645 PolarHBondContact NE2-O 3.42Å; Q609-V647 HydrophobicContact CB-CG2 3.85Å; Q609-V647 HydrophobicContact CG-CG2 4.13Å
610G92.6Very high91.4Very high23 Ų2356.8 Ų56.824%0.23730%0.297CS..SBendtrans156.3-169.8176.300000114.1I608 A644I608-G610 PolarHBondContact O-N 3.43Å; G610-A644 PolarHBondContact N-O 2.94Å; G610-A644 CarbonylContact O-C 3.33Å
611R92.9Very high91.8Very high160 Ų16056.9 Ų56.960%0.60430%0.296SS*.  trans-98.4123.3172.4-175.8179.1179.5167.1-1.4109.1V613 N614 M615R611-V613 VanDerWaalsContact C-N 3.27Å; R611-V613 PolarHBondContact O-N 3.36Å; R611-V613 VanDerWaalsContact O-N 3.1Å; R611-N614 PolarHBondContact O-N 2.69Å; R611-M615 WeakPolarHBondContact O-CG 3.28Å; R611-M615 PolarHBondContact O-N 2.96Å
612F90.6Very high92Very high139 Ų13956 Ų5661%0.6129%0.292SS*.G310 helixtrans-45.6-46.7-175.3-179.7-106.5000114.4N614 M615 V643F612-N614 PolarHBondContact O-N 3.28Å; F612-N614 VanDerWaalsContact O-N 3.1Å; F612-M615 PolarHBondContact O-N 2.7Å; F612-V643 HydrophobicContact CB-CB 4.25Å; F612-V643 HydrophobicContact CB-CG1 4.41Å; F612-V643 HydrophobicContact CD2-CB 4.07Å; F612-V643 HydrophobicContact CD2-CG2 3.87Å
613V91.7Very high92Very high101 Ų10160.4 Ų60.461%0.61231%0.311SS*.G310 helixtrans-53.1-34.3-179.7-178.90000113.1R611R611-V613 VanDerWaalsContact C-N 3.27Å; R611-V613 PolarHBondContact O-N 3.36Å; R611-V613 VanDerWaalsContact O-N 3.1Å
614N92.4Very high91.9Very high118 Ų11864.8 Ų64.863%0.63133%0.331SS*.G310 helixtrans-95.7-6.8-174.9-61.24.5000112.6R611 F612R611-N614 PolarHBondContact O-N 2.69Å; F612-N614 PolarHBondContact O-N 3.28Å; F612-N614 VanDerWaalsContact O-N 3.1Å
615M89.9Confident91.7Very high34 Ų3465 Ų6517%0.16733%0.332CS..  trans-1095-168.7-61.2-60.1-82.600113.4I608 R611 F612 M618 V619 V643I608-M615 HydrophobicContact CG2-CE 3.29Å; R611-M615 WeakPolarHBondContact O-CG 3.28Å; R611-M615 PolarHBondContact O-N 2.96Å; F612-M615 PolarHBondContact O-N 2.7Å; M615-M618 HydrophobicContact CE-CB 4.35Å; M615-M618 HydrophobicContact CE-CE 3.7Å; M615-M618 HydrophobicContact CE-CG 4.46Å; M615-M618 HydrophobicContact CE-SD 3.35Å; M615-M618 WeakPolarHBondContact CE-SD 3.49Å; M615-M618 CarbonylContact O-C 3.5Å; M615-M618 PolarHBondContact O-N 3.14Å; M615-V619 HydrophobicContact CB-CG2 4.45Å; M615-V619 WeakPolarHBondContact O-CG2 3.47Å; M615-V619 PolarHBondContact O-N 3.08Å; M615-V643 HydrophobicContact CB-CG1 4.18Å; M615-V643 HydrophobicContact CB-CG2 4.39Å; M615-V643 HydrophobicContact CG-CG1 4.08Å
616E89.4Confident91.6Very high138 Ų13865 Ų6565%0.64533%0.332SS*.Hα-helixtrans-45.2-51.3178.3-174.1-177.7-172.700114.5M618 V619 T620E616-M618 VanDerWaalsContact C-N 3.29Å; E616-M618 PolarHBondContact O-N 3.41Å; E616-V619 WeakPolarHBondContact O-CB 3.45Å; E616-V619 PolarHBondContact O-N 2.86Å; E616-V619 VanDerWaalsContact O-N 3.14Å; E616-T620 PolarHBondContact O-N 3.03Å; E616-T620 PolarHBondContact O-OG1 3.11Å
617P89.5Confident91.4Very high100 Ų10071.1 Ų71.165%0.64936%0.358SS*.Hα-helixtrans-63.3-35.7-179.923.2-33.7000112.6A621P617-A621 WeakPolarHBondContact O-CB 3.46Å; P617-A621 PolarHBondContact O-N 2.87Å; P617-A621 VanDerWaalsContact O-N 3.1Å
618M89.9Confident91.2Very high84 Ų8475.9 Ų75.941%0.41438%0.379SS..Hα-helixtrans-72.4-34.9176.4-166.3179.4-6800111.7I608 M615 E616 T622I608-M618 HydrophobicContact CD1-CG 4.07Å; I608-M618 HydrophobicContact CD1-SD 4.4Å; I608-M618 HydrophobicContact CG2-SD 3.81Å; M615-M618 HydrophobicContact CE-CB 4.35Å; M615-M618 HydrophobicContact CE-CE 3.7Å; M615-M618 HydrophobicContact CE-CG 4.46Å; M615-M618 HydrophobicContact CE-SD 3.35Å; M615-M618 WeakPolarHBondContact CE-SD 3.49Å; M615-M618 CarbonylContact O-C 3.5Å; M615-M618 PolarHBondContact O-N 3.14Å; E616-M618 VanDerWaalsContact C-N 3.29Å; E616-M618 PolarHBondContact O-N 3.41Å; M618-T622 VanDerWaalsContact O-CB 3.29Å; M618-T622 WeakPolarHBondContact O-CB 3.32Å; M618-T622 PolarHBondContact O-N 3.31Å; M618-T622 PolarHBondContact O-OG1 3.34Å
619V91.3Very high91.1Very high12 Ų1275.3 Ų75.37%0.07338%0.376CS..Hα-helixtrans-61.3-47.8174.6165.20000110.5I608 M615 E616 T622 K623 L641 V643I608-V619 HydrophobicContact CD1-CG2 4.34Å; M615-V619 HydrophobicContact CB-CG2 4.45Å; M615-V619 WeakPolarHBondContact O-CG2 3.47Å; M615-V619 PolarHBondContact O-N 3.08Å; E616-V619 WeakPolarHBondContact O-CB 3.45Å; E616-V619 PolarHBondContact O-N 2.86Å; E616-V619 VanDerWaalsContact O-N 3.14Å; V619-T622 PolarHBondContact O-N 2.92Å; V619-K623 HydrophobicContact CG1-CD 4.23Å; V619-K623 WeakPolarHBondContact O-CB 3.36Å; V619-K623 WeakPolarHBondContact O-CG 3.25Å; V619-K623 PolarHBondContact O-N 3.49Å; V619-L641 HydrophobicContact CB-CD2 4.11Å; V619-L641 HydrophobicContact CG1-CD2 3.89Å; V619-L641 HydrophobicContact CG2-CD2 4.24Å; V619-L641 WeakPolarHBondContact O-CD2 3.38Å; V619-V643 HydrophobicContact CG2-CG2 3.42Å; V619-V643 VanDerWaalsContact CG2-CG2 3.42Å
620T90.8Very high90.9Very high69 Ų6972.9 Ų72.942%0.42336%0.361SS..Hα-helixtrans-63.5-48178.1-56.10000111.3E616 T622 K623 E624E616-T620 PolarHBondContact O-N 3.03Å; E616-T620 PolarHBondContact O-OG1 3.11Å; T620-T622 VanDerWaalsContact C-N 3.34Å; T620-T622 PolarHBondContact O-N 3.4Å; T620-K623 PolarHBondContact O-N 3.28Å; T620-E624 WeakPolarHBondContact O-CG 3.48Å; T620-E624 PolarHBondContact O-N 3.43Å
621A91.1Very high90.7Very high16 Ų1675.1 Ų75.113%0.13238%0.378CS..Hα-helixtrans-60.1-41.817800000112.7R579 P617 E624 T625R579-A621 HydrophobicContact CG-CB 4.32Å; P617-A621 WeakPolarHBondContact O-CB 3.46Å; P617-A621 PolarHBondContact O-N 2.87Å; P617-A621 VanDerWaalsContact O-N 3.1Å; A621-E624 PolarHBondContact O-N 3.26Å; A621-T625 PolarHBondContact O-N 3.45Å; A621-T625 PolarHBondContact O-OG1 3.25Å; A621-T625 VanDerWaalsContact O-OG1 3.13Å
622T91.8Very high90.4Very high3 Ų374.6 Ų74.62%0.01838%0.376CS..Hα-helixtrans-69-38.5179.3-56.80000111.5V576 A606 I608 M618 V619 T620 T625 L626 L641V576-T622 HydrophobicContact CB-CG2 3.91Å; V576-T622 HydrophobicContact CG1-CG2 4Å; V576-T622 HydrophobicContact CG2-CG2 4.07Å; A606-T622 HydrophobicContact CB-CG2 4.31Å; I608-T622 HydrophobicContact CD1-CG2 4.35Å; M618-T622 VanDerWaalsContact O-CB 3.29Å; M618-T622 WeakPolarHBondContact O-CB 3.32Å; M618-T622 PolarHBondContact O-N 3.31Å; M618-T622 PolarHBondContact O-OG1 3.34Å; V619-T622 PolarHBondContact O-N 2.92Å; T620-T622 VanDerWaalsContact C-N 3.34Å; T620-T622 PolarHBondContact O-N 3.4Å; T622-T625 PolarHBondContact O-N 2.87Å; T622-L626 HydrophobicContact CG2-CD1 4.3Å; T622-L626 WeakPolarHBondContact O-CG 3.25Å; T622-L626 PolarHBondContact O-N 3.1Å; T622-L641 HydrophobicContact CG2-CD1 3.78Å; T622-L641 HydrophobicContact CG2-CD2 3.97Å
623K92Very high90.2Very high93 Ų9368.6 Ų68.640%0.40435%0.35SS..Hα-helixtrans-62.2-41.2173.9-77.9177.2177.9179.30111.9V619 T620 L626 K627 Y639 L641V619-K623 HydrophobicContact CG1-CD 4.23Å; V619-K623 WeakPolarHBondContact O-CB 3.36Å; V619-K623 WeakPolarHBondContact O-CG 3.25Å; V619-K623 PolarHBondContact O-N 3.49Å; T620-K623 PolarHBondContact O-N 3.28Å; K623-L626 PolarHBondContact O-N 3.19Å; K623-K627 WeakPolarHBondContact O-CB 3.43Å; K623-K627 PolarHBondContact O-N 3.42Å; K623-Y639 HydrophobicContact CB-CE2 4.21Å; K623-Y639 HydrophobicContact CG-CD2 4.48Å; K623-Y639 HydrophobicContact CG-CE2 4.14Å; K623-L641 HydrophobicContact CG-CB 4.43Å; K623-L641 HydrophobicContact CG-CD2 3.9Å
624E91Very high89.8Confident98 Ų9872.4 Ų72.446%0.45836%0.358SS..Hα-helixtrans-61.5-49.3174.6-73.2176.6167.600111.2T620 A621 L626 K627 E628T620-E624 WeakPolarHBondContact O-CG 3.48Å; T620-E624 PolarHBondContact O-N 3.43Å; A621-E624 PolarHBondContact O-N 3.26Å; E624-L626 PolarHBondContact O-N 3.37Å; E624-K627 WeakPolarHBondContact O-CB 3.33Å; E624-K627 PolarHBondContact O-N 3.35Å; E624-K627 VanDerWaalsContact O-N 3.11Å; E624-E628 WeakPolarHBondContact O-CG 3.33Å; E624-E628 PolarHBondContact O-N 2.94Å
625T91.7Very high89.3Confident6 Ų667.1 Ų67.14%0.03733%0.33CS..Hα-helixtrans-58.4-44.9176.6-57.70000112.1V576 R579 M581 A621 T622 K627 E628 V629V576-T625 HydrophobicContact CG1-CG2 4.09Å; R579-T625 WeakPolarHBondContact CA-OG1 3.4Å; R579-T625 PolarHBondContact O-OG1 3.31Å; R579-T625 VanDerWaalsContact O-OG1 3.08Å; M581-T625 HydrophobicContact CB-CG2 4.46Å; A621-T625 PolarHBondContact O-N 3.45Å; A621-T625 PolarHBondContact O-OG1 3.25Å; A621-T625 VanDerWaalsContact O-OG1 3.13Å; T622-T625 PolarHBondContact O-N 2.87Å; T625-K627 VanDerWaalsContact C-N 3.31Å; T625-K627 PolarHBondContact O-N 2.99Å; T625-E628 PolarHBondContact O-N 3.09Å; T625-V629 HydrophobicContact CG2-CG2 4.34Å; T625-V629 WeakPolarHBondContact O-CB 3.45Å; T625-V629 VanDerWaalsContact O-CG2 3.24Å; T625-V629 WeakPolarHBondContact O-CG2 3.26Å; T625-V629 PolarHBondContact O-N 2.96Å
626L91.6Very high88.8Confident0 Ų072.4 Ų72.40%036%0.356CS..Hα-helixtrans-63.2-37.8177-71.1174.2000112C574 V576 L604 A606 T622 K623 E624 R630 Y639C574-L626 HydrophobicContact CB-CD2 4.06Å; V576-L626 HydrophobicContact CG2-CD2 4.04Å; V576-L626 HydrophobicContact CG2-CG 4.45Å; L604-L626 HydrophobicContact CB-CD2 4.27Å; A606-L626 HydrophobicContact CB-CD1 4.14Å; T622-L626 HydrophobicContact CG2-CD1 4.3Å; T622-L626 WeakPolarHBondContact O-CG 3.25Å; T622-L626 PolarHBondContact O-N 3.1Å; K623-L626 PolarHBondContact O-N 3.19Å; E624-L626 PolarHBondContact O-N 3.37Å; L626-R630 WeakPolarHBondContact O-CB 3.34Å; L626-R630 PolarHBondContact O-N 2.95Å; L626-Y639 HydrophobicContact CB-CG 4.21Å
627K90.4Very high88.7Confident131 Ų13166 Ų6657%0.5733%0.327SS*.Hα-helixtrans-65.5-44.3175.8-174.2-178177.3-174.60111.5K623 E624 T625 R630 A631 Y639K623-K627 WeakPolarHBondContact O-CB 3.43Å; K623-K627 PolarHBondContact O-N 3.42Å; E624-K627 WeakPolarHBondContact O-CB 3.33Å; E624-K627 PolarHBondContact O-N 3.35Å; E624-K627 VanDerWaalsContact O-N 3.11Å; T625-K627 VanDerWaalsContact C-N 3.31Å; T625-K627 PolarHBondContact O-N 2.99Å; K627-R630 PolarHBondContact O-N 3.07Å; K627-A631 WeakPolarHBondContact O-CB 3.44Å; K627-A631 PolarHBondContact O-N 3.35Å; K627-Y639 HydrophobicContact CB-CE1 4.05Å; K627-Y639 HydrophobicContact CG-CE1 4.33Å
628E90.4Very high88.7Confident130 Ų13066.9 Ų66.961%0.60732%0.321SS*.Hα-helixtrans-63-48.9176.7-73.2177.6175.500111.8E624 T625 R630 A631 R632E624-E628 WeakPolarHBondContact O-CG 3.33Å; E624-E628 PolarHBondContact O-N 2.94Å; T625-E628 PolarHBondContact O-N 3.09Å; E628-R630 VanDerWaalsContact C-N 3.34Å; E628-R630 PolarHBondContact O-N 2.86Å; E628-A631 PolarHBondContact O-N 3.26Å; E628-R632 WeakPolarHBondContact O-CB 3.19Å; E628-R632 PolarHBondContact O-N 2.99Å
629V89.5Confident88.8Confident4 Ų466.9 Ų66.92%0.02432%0.317CS..Hα-helixtrans-58.8-46.8176.7167.40000110.5M581 V589 T625 A631 R632 M633M581-V629 HydrophobicContact CB-CG2 4.37Å; M581-V629 HydrophobicContact CE-CB 4.24Å; M581-V629 HydrophobicContact CE-CG1 3.41Å; M581-V629 VanDerWaalsContact CE-CG1 3.41Å; M581-V629 HydrophobicContact CE-CG2 3.84Å; M581-V629 HydrophobicContact SD-CG1 4.47Å; V589-V629 HydrophobicContact CB-CG1 4.42Å; V589-V629 HydrophobicContact CG1-CG1 3.94Å; V589-V629 HydrophobicContact CG2-CG1 4.43Å; T625-V629 HydrophobicContact CG2-CG2 4.34Å; T625-V629 WeakPolarHBondContact O-CB 3.45Å; T625-V629 VanDerWaalsContact O-CG2 3.24Å; T625-V629 WeakPolarHBondContact O-CG2 3.26Å; T625-V629 PolarHBondContact O-N 2.96Å; V629-A631 VanDerWaalsContact C-N 3.31Å; V629-A631 PolarHBondContact O-N 2.72Å; V629-R632 PolarHBondContact O-N 3.2Å; V629-M633 HydrophobicContact CG1-CG 4.3Å; V629-M633 VanDerWaalsContact O-CB 3.3Å; V629-M633 WeakPolarHBondContact O-CB 3.41Å; V629-M633 WeakPolarHBondContact O-CG 3.37Å; V629-M633 PolarHBondContact O-N 3.17Å
630R88.6Confident88.9Confident71 Ų7169.4 Ų69.427%0.26833%0.328SS..Hα-helixtrans-57.4-44.5177.4177.2-173.4160.4-169.7-4.2111.6L604 L626 K627 E628 K634 I635 G637L604-R630 HydrophobicContact CD1-CB 4.05Å; L626-R630 WeakPolarHBondContact O-CB 3.34Å; L626-R630 PolarHBondContact O-N 2.95Å; K627-R630 PolarHBondContact O-N 3.07Å; E628-R630 VanDerWaalsContact C-N 3.34Å; E628-R630 PolarHBondContact O-N 2.86Å; R630-K634 PolarHBondContact O-N 2.78Å; R630-K634 VanDerWaalsContact O-N 3.13Å; R630-I635 HydrophobicContact CG-CB 4.16Å; R630-I635 WeakPolarHBondContact CG-O 3.39Å; R630-I635 PolarHBondContact NE-O 3.1Å; R630-I635 VanDerWaalsContact NE-O 3.11Å; R630-I635 PolarHBondContact O-N 3.47Å; R630-G637 PolarHBondContact NE-O 3.06Å; R630-G637 VanDerWaalsContact NE-O 3.14Å; R630-G637 PolarHBondContact NH1-O 3.11Å; R630-G637 PolarHBondContact NH2-O 3.32Å
631A87.7Confident89Confident71 Ų7167.5 Ų67.559%0.58732%0.315SS*.Hα-helixtrans-66.9-47.717900000111.6K627 E628 V629 M633 K634K627-A631 WeakPolarHBondContact O-CB 3.44Å; K627-A631 PolarHBondContact O-N 3.35Å; E628-A631 PolarHBondContact O-N 3.26Å; V629-A631 VanDerWaalsContact C-N 3.31Å; V629-A631 PolarHBondContact O-N 2.72Å; A631-M633 VanDerWaalsContact C-N 3.35Å; A631-M633 PolarHBondContact O-N 3.18Å; A631-K634 PolarHBondContact O-N 2.87Å
632R87.4Confident89.2Confident149 Ų14969.4 Ų69.456%0.56232%0.322SS*.Hα-helixtrans-61.1-42179-172.1172.662.4-169.2-2.2112.1E586 E628 V629 K634E586-R632 IonicContact OE1-CZ 3.58Å; E586-R632 IonicContact OE1-NH2 2.69Å; E586-R632 PolarHBondContact OE1-NH2 2.55Å; E586-R632 IonicContact OE2-CZ 3.71Å; E586-R632 IonicContact OE2-NH2 3.92Å; E586-R632 PolarHBondContact OE2-NH2 3.06Å; E628-R632 WeakPolarHBondContact O-CB 3.19Å; E628-R632 PolarHBondContact O-N 2.99Å; V629-R632 PolarHBondContact O-N 3.2Å; R632-K634 PolarHBondContact O-N 2.88Å
633M85.9Confident89.3Confident13 Ų1370.2 Ų70.26%0.06433%0.328CS..THydrogen-bonded Turntrans-81-0.1177.2-63.8-58.3-145.400114.1E586 V589 A590 S593 V629 A631 I635 N712E586-M633 HydrophobicContact CB-CE 3.98Å; E586-M633 WeakPolarHBondContact O-CE 3.33Å; V589-M633 HydrophobicContact CG1-CB 4.19Å; V589-M633 HydrophobicContact CG1-CG 4.02Å; A590-M633 HydrophobicContact CB-CE 3.71Å; A590-M633 HydrophobicContact CB-SD 4.4Å; S593-M633 PolarHBondContact OG-O 2.83Å; V629-M633 HydrophobicContact CG1-CG 4.3Å; V629-M633 VanDerWaalsContact O-CB 3.3Å; V629-M633 WeakPolarHBondContact O-CB 3.41Å; V629-M633 WeakPolarHBondContact O-CG 3.37Å; V629-M633 PolarHBondContact O-N 3.17Å; A631-M633 VanDerWaalsContact C-N 3.35Å; A631-M633 PolarHBondContact O-N 3.18Å; M633-I635 VanDerWaalsContact C-N 3.28Å; M633-I635 HydrophobicContact CB-CD1 3.98Å; M633-I635 HydrophobicContact CB-CG1 4.05Å; M633-I635 PolarHBondContact O-N 3Å; M633-N712 PolarHBondContact O-ND2 2.86Å
634K82.9Confident89.4Confident181 Ų18166.5 Ų66.579%0.78731%0.314SS*.THydrogen-bonded Turntrans55.437.7179.6-59.5-178.2179178.30113.9R630 A631 R632 M636R630-K634 PolarHBondContact O-N 2.78Å; R630-K634 VanDerWaalsContact O-N 3.13Å; A631-K634 PolarHBondContact O-N 2.87Å; R632-K634 PolarHBondContact O-N 2.88Å; K634-M636 PolarHBondContact O-N 2.66Å
635I82.2Confident89.6Confident6 Ų671.2 Ų71.23%0.03133%0.328CS..  trans-86.5112.6179.7-63.9173.2000109.9V589 T602 R630 M633 G637V589-I635 HydrophobicContact CB-CD1 4.46Å; V589-I635 HydrophobicContact CG1-CD1 3.15Å; V589-I635 WeakPolarHBondContact O-CD1 3.45Å; T602-I635 HydrophobicContact CG2-CG2 4Å; R630-I635 HydrophobicContact CG-CB 4.16Å; R630-I635 WeakPolarHBondContact CG-O 3.39Å; R630-I635 PolarHBondContact NE-O 3.1Å; R630-I635 VanDerWaalsContact NE-O 3.11Å; R630-I635 PolarHBondContact O-N 3.47Å; M633-I635 VanDerWaalsContact C-N 3.28Å; M633-I635 HydrophobicContact CB-CD1 3.98Å; M633-I635 HydrophobicContact CB-CG1 4.05Å; M633-I635 PolarHBondContact O-N 3Å; I635-G637 VanDerWaalsContact C-N 3.32Å; I635-G637 PolarHBondContact O-N 3.2Å
636M79.7Confident89.6Confident145 Ų14573.9 Ų73.971%0.71434%0.342SS*.  trans-75.691.1159.7-32.2-85.2-71.900107.9K596 K634K596-M636 VanDerWaalsContact NZ-CA 3.3Å; K596-M636 VanDerWaalsContact NZ-CG 3.29Å; K596-M636 VanDerWaalsContact NZ-N 3.19Å; K596-M636 PolarHBondContact NZ-O 3.09Å; K634-M636 PolarHBondContact O-N 2.66Å
637G86.8Confident89.5Confident4 Ų476.1 Ų76.14%0.04136%0.355CS..  trans-150.3-160.5-179.400000110T602 R630 I635T602-G637 CarbonylContact O-C 3.49Å; T602-G637 VanDerWaalsContact O-C 3.3Å; T602-G637 WeakPolarHBondContact O-CA 3.46Å; R630-G637 PolarHBondContact NE-O 3.06Å; R630-G637 VanDerWaalsContact NE-O 3.14Å; R630-G637 PolarHBondContact NH1-O 3.11Å; R630-G637 PolarHBondContact NH2-O 3.32Å; I635-G637 VanDerWaalsContact C-N 3.32Å; I635-G637 PolarHBondContact O-N 3.2Å
638F91Very high89.6Confident119 Ų11970.9 Ų70.952%0.52233%0.334SS..EExtended strand (participates in β ladder)trans-127.1174.4173.7-59.7-88000109.1L601 T602 V603 L604 M663L601-F638 HydrophobicContact CD1-CD2 3.51Å; L601-F638 HydrophobicContact CD1-CE2 3.66Å; T602-F638 PolarHBondContact O-N 2.93Å; V603-F638 WeakPolarHBondContact CA-O 3.36Å; V603-F638 HydrophobicContact CG2-CB 4.49Å; L604-F638 PolarHBondContact N-O 2.98Å; F638-M663 HydrophobicContact CE2-CE 4.49Å
639Y91.5Very high89.8Confident83 Ų8371 Ų7133%0.32533%0.334SS..EExtended strand (participates in β ladder)trans-132.4143.7169.856.3-96.3000109L604 K623 L626 K627L604-Y639 CarbonylContact O-C 3.54Å; L604-Y639 WeakPolarHBondContact O-CA 3.48Å; K623-Y639 HydrophobicContact CB-CE2 4.21Å; K623-Y639 HydrophobicContact CG-CD2 4.48Å; K623-Y639 HydrophobicContact CG-CE2 4.14Å; L626-Y639 HydrophobicContact CB-CG 4.21Å; K627-Y639 HydrophobicContact CB-CE1 4.05Å; K627-Y639 HydrophobicContact CG-CE1 4.33Å
640E92.6Very high90.1Very high66 Ų6670.8 Ų70.831%0.30833%0.334SS..EExtended strand (participates in β ladder)trans-133.6140.6-179.2-166.6170.8178.100108.9V603 L604 A605 A606 L654 S658V603-E640 HydrophobicContact CG1-CB 3.89Å; L604-E640 PolarHBondContact O-N 3.5Å; A605-E640 VanDerWaalsContact CA-O 3.3Å; A605-E640 WeakPolarHBondContact CA-O 3.24Å; A606-E640 PolarHBondContact N-O 3.36Å; E640-L654 HydrophobicContact CG-CD2 3.83Å; E640-S658 VanDerWaalsContact OE2-CB 3.28Å; E640-S658 WeakPolarHBondContact OE2-CB 3.37Å; E640-S658 PolarHBondContact OE2-OG 3.18Å
641L93.8Very high90.4Very high29 Ų2968.2 Ų68.215%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-135.6123.2-176.1179.961.6000109.1A606 I608 V619 T622 K623A606-L641 HydrophobicContact CB-CD1 3.78Å; A606-L641 WeakPolarHBondContact O-CA 3.4Å; A606-L641 WeakPolarHBondContact O-CD1 3.47Å; I608-L641 HydrophobicContact CD1-CD1 3.75Å; I608-L641 HydrophobicContact CD1-CD2 3.97Å; I608-L641 HydrophobicContact CD1-CG 4.25Å; I608-L641 HydrophobicContact CG1-CD1 3.9Å; V619-L641 HydrophobicContact CB-CD2 4.11Å; V619-L641 HydrophobicContact CG1-CD2 3.89Å; V619-L641 HydrophobicContact CG2-CD2 4.24Å; V619-L641 WeakPolarHBondContact O-CD2 3.38Å; T622-L641 HydrophobicContact CG2-CD1 3.78Å; T622-L641 HydrophobicContact CG2-CD2 3.97Å; K623-L641 HydrophobicContact CG-CB 4.43Å; K623-L641 HydrophobicContact CG-CD2 3.9Å
642L94.6Very high90.7Very high55 Ų5566 Ų6629%0.28831%0.305SS..EExtended strand (participates in β ladder)trans-116.1136.7177.6-173.465.9000110.4A606 V607 I608 G650 A653 L654A606-L642 PolarHBondContact O-N 3.29Å; V607-L642 CarbonylContact C-O 3.6Å; V607-L642 WeakPolarHBondContact CA-O 3.38Å; I608-L642 PolarHBondContact N-O 2.83Å; L642-G650 VanDerWaalsContact CD2-O 3.28Å; L642-G650 WeakPolarHBondContact CD2-O 3Å; L642-A653 HydrophobicContact CD2-CB 3.75Å; L642-L654 HydrophobicContact CB-CD1 3.87Å; L642-L654 HydrophobicContact CB-CD2 4.23Å; L642-L654 HydrophobicContact CB-CG 4.09Å; L642-L654 HydrophobicContact CD2-CD1 4.38Å; L642-L654 HydrophobicContact CD2-CG 4Å
643V94.6Very high91.2Very high21 Ų2160.7 Ų60.713%0.12729%0.293CS..EExtended strand (participates in β ladder)trans-104.5120169.5-174.60000108.1I608 F612 M615 V619I608-V643 HydrophobicContact CB-CG2 4.31Å; I608-V643 WeakPolarHBondContact O-CA 3.44Å; F612-V643 HydrophobicContact CB-CB 4.25Å; F612-V643 HydrophobicContact CB-CG1 4.41Å; F612-V643 HydrophobicContact CD2-CB 4.07Å; F612-V643 HydrophobicContact CD2-CG2 3.87Å; M615-V643 HydrophobicContact CB-CG1 4.18Å; M615-V643 HydrophobicContact CB-CG2 4.39Å; M615-V643 HydrophobicContact CG-CG1 4.08Å; V619-V643 HydrophobicContact CG2-CG2 3.42Å; V619-V643 VanDerWaalsContact CG2-CG2 3.42Å
644A94.2Very high91.6Very high14 Ų1460.1 Ų60.112%0.11629%0.29CS..EExtended strand (participates in β ladder)trans-133.1152.5-177.900000110.7V607 I608 Q609 G610 D646V607-A644 HydrophobicContact CG1-CB 4.31Å; I608-A644 PolarHBondContact O-N 3.33Å; Q609-A644 CarbonylContact C-O 3.52Å; Q609-A644 VanDerWaalsContact CA-O 3.27Å; Q609-A644 WeakPolarHBondContact CA-O 3.23Å; G610-A644 PolarHBondContact N-O 2.94Å; G610-A644 CarbonylContact O-C 3.33Å; A644-D646 VanDerWaalsContact C-N 3.32Å; A644-D646 VanDerWaalsContact CB-O 3.23Å; A644-D646 WeakPolarHBondContact CB-O 3.26Å
645R93.8Very high92.2Very high198 Ų19851.5 Ų51.575%0.74725%0.253SS*.SBendtrans-68-38.4177.8-67.5-177.7-178.8178.61.5111.5Q609Q609-R645 VanDerWaalsContact CG-O 3.24Å; Q609-R645 WeakPolarHBondContact CG-O 3.3Å; Q609-R645 PolarHBondContact NE2-O 3.42Å
646D92.2Very high92.8Very high62 Ų6257.5 Ų57.533%0.33228%0.281SS..SBendtrans-115.3139.9173.3178.763.3000110.2A644 V648 E649 G650A644-D646 VanDerWaalsContact C-N 3.32Å; A644-D646 VanDerWaalsContact CB-O 3.23Å; A644-D646 WeakPolarHBondContact CB-O 3.26Å; D646-V648 VanDerWaalsContact OD2-CA 3.3Å; D646-V648 WeakPolarHBondContact OD2-CA 3.49Å; D646-V648 WeakPolarHBondContact OD2-CB 3.41Å; D646-V648 WeakPolarHBondContact OD2-CG2 3.27Å; D646-V648 PolarHBondContact OD2-N 3Å; D646-E649 HydrophobicContact CB-CB 4.16Å; D646-E649 HydrophobicContact CB-CG 4.04Å; D646-E649 PolarHBondContact OD2-N 3.37Å; D646-G650 PolarHBondContact O-N 3.19Å; D646-G650 VanDerWaalsContact O-N 3.1Å
647V90.8Very high93.4Very high46 Ų4655.2 Ų55.228%0.27928%0.275SS..Hα-helixtrans-71.6-35.6-176.71780000110.7V607 Q609 G650 I651V607-V647 HydrophobicContact CB-CG1 4.47Å; V607-V647 HydrophobicContact CG1-CG1 4.29Å; Q609-V647 HydrophobicContact CB-CG2 3.85Å; Q609-V647 HydrophobicContact CG-CG2 4.13Å; V647-G650 PolarHBondContact O-N 2.59Å; V647-I651 HydrophobicContact CG1-CD1 3.89Å; V647-I651 HydrophobicContact CG1-CG1 4.37Å; V647-I651 VanDerWaalsContact O-CG1 3.32Å; V647-I651 WeakPolarHBondContact O-CG1 3.19Å; V647-I651 PolarHBondContact O-N 3.16Å
648V92.4Very high93.7Very high21 Ų2155.1 Ų55.113%0.12727%0.274CS..Hα-helixtrans-68.1-44.6180-165.30000110D646 G650 I651 S652 T685 E688 I692D646-V648 VanDerWaalsContact OD2-CA 3.3Å; D646-V648 WeakPolarHBondContact OD2-CA 3.49Å; D646-V648 WeakPolarHBondContact OD2-CB 3.41Å; D646-V648 WeakPolarHBondContact OD2-CG2 3.27Å; D646-V648 PolarHBondContact OD2-N 3Å; V648-G650 VanDerWaalsContact C-N 3.29Å; V648-G650 PolarHBondContact O-N 3.37Å; V648-I651 PolarHBondContact O-N 2.72Å; V648-S652 VanDerWaalsContact O-CB 3.28Å; V648-S652 WeakPolarHBondContact O-CB 3.36Å; V648-S652 PolarHBondContact O-N 2.85Å; V648-T685 HydrophobicContact CG2-CG2 3.73Å; V648-E688 HydrophobicContact CG1-CB 4.03Å; V648-E688 HydrophobicContact CG1-CG 3.71Å; V648-I692 HydrophobicContact CG1-CD1 3.94Å
649E94.4Very high93.6Very high132 Ų13251.2 Ų51.262%0.61727%0.267SS*.Hα-helixtrans-58.2-42.3172.1-70.9-174.9167.600111.7D646 S652 A653D646-E649 HydrophobicContact CB-CB 4.16Å; D646-E649 HydrophobicContact CB-CG 4.04Å; D646-E649 PolarHBondContact OD2-N 3.37Å; E649-S652 WeakPolarHBondContact O-CB 3.43Å; E649-S652 PolarHBondContact O-N 2.94Å; E649-A653 PolarHBondContact O-N 2.98Å
650G94.8Very high93.4Very high1 Ų153.2 Ų53.21%0.0128%0.283CS..Hα-helixtrans-64.8-43.117700000113.3L642 D646 V647 V648 S652 A653 L654L642-G650 VanDerWaalsContact CD2-O 3.28Å; L642-G650 WeakPolarHBondContact CD2-O 3Å; D646-G650 PolarHBondContact O-N 3.19Å; D646-G650 VanDerWaalsContact O-N 3.1Å; V647-G650 PolarHBondContact O-N 2.59Å; V648-G650 VanDerWaalsContact C-N 3.29Å; V648-G650 PolarHBondContact O-N 3.37Å; G650-S652 VanDerWaalsContact C-N 3.32Å; G650-A653 PolarHBondContact O-N 2.8Å; G650-L654 PolarHBondContact O-N 2.71Å; G650-L654 VanDerWaalsContact O-N 3.13Å
651I94.5Very high92.9Very high16 Ų1651.8 Ų51.88%0.08229%0.285CS..Hα-helixtrans-63.8-42.8174.5-69.2170.3000110F573 V607 V647 V648 A653 L654 V655 I689F573-I651 HydrophobicContact CD1-CG1 4.11Å; F573-I651 HydrophobicContact CE1-CB 4.19Å; F573-I651 HydrophobicContact CE1-CG1 3.89Å; F573-I651 HydrophobicContact CE1-CG2 3.99Å; F573-I651 HydrophobicContact CE2-CG2 3.98Å; F573-I651 HydrophobicContact CZ-CB 4.3Å; F573-I651 HydrophobicContact CZ-CG1 4.44Å; F573-I651 HydrophobicContact CZ-CG2 3.66Å; V607-I651 HydrophobicContact CG2-CG1 3.92Å; V647-I651 HydrophobicContact CG1-CD1 3.89Å; V647-I651 HydrophobicContact CG1-CG1 4.37Å; V647-I651 VanDerWaalsContact O-CG1 3.32Å; V647-I651 WeakPolarHBondContact O-CG1 3.19Å; V647-I651 PolarHBondContact O-N 3.16Å; V648-I651 PolarHBondContact O-N 2.72Å; I651-A653 VanDerWaalsContact C-N 3.34Å; I651-A653 PolarHBondContact O-N 3.14Å; I651-L654 PolarHBondContact O-N 3.14Å; I651-V655 HydrophobicContact CG2-CG2 4.18Å; I651-V655 WeakPolarHBondContact O-CG2 3.24Å; I651-V655 PolarHBondContact O-N 2.86Å; I651-I689 HydrophobicContact CD1-CD1 3.54Å; I651-I689 HydrophobicContact CD1-CG1 4.19Å; I651-I689 HydrophobicContact CG2-CD1 4.26Å; I651-I689 HydrophobicContact CG2-CG1 3.89Å; I651-I689 HydrophobicContact CG2-CG2 4.16Å
652S95.7Very high92.2Very high26 Ų2651.2 Ų51.218%0.18229%0.287CS..Hα-helixtrans-57.5-45.8177.2-169.30000112.4V648 E649 G650 V655 Q656V648-S652 VanDerWaalsContact O-CB 3.28Å; V648-S652 WeakPolarHBondContact O-CB 3.36Å; V648-S652 PolarHBondContact O-N 2.85Å; E649-S652 WeakPolarHBondContact O-CB 3.43Å; E649-S652 PolarHBondContact O-N 2.94Å; G650-S652 VanDerWaalsContact C-N 3.32Å; S652-V655 PolarHBondContact O-N 3.05Å; S652-Q656 WeakPolarHBondContact O-CB 3.11Å; S652-Q656 VanDerWaalsContact O-CG 3.25Å; S652-Q656 WeakPolarHBondContact O-CG 3.46Å; S652-Q656 PolarHBondContact O-N 3.03Å; S652-Q656 VanDerWaalsContact O-N 3.15Å; S652-Q656 PolarHBondContact O-NE2 3.46Å; S652-Q656 VanDerWaalsContact O-NE2 3.17Å; S652-Q656 PolarHBondContact OG-NE2 3.11Å
653A96.1Very high91.8Very high36 Ų3651.7 Ų51.730%0.29829%0.288SS..Hα-helixtrans-60-49.4175.400000111.3L642 E649 G650 I651 V655 Q656 T657L642-A653 HydrophobicContact CD2-CB 3.75Å; E649-A653 PolarHBondContact O-N 2.98Å; G650-A653 PolarHBondContact O-N 2.8Å; I651-A653 VanDerWaalsContact C-N 3.34Å; I651-A653 PolarHBondContact O-N 3.14Å; A653-V655 PolarHBondContact O-N 2.87Å; A653-Q656 PolarHBondContact O-N 2.78Å; A653-T657 PolarHBondContact O-N 2.96Å; A653-T657 PolarHBondContact O-OG1 3.33Å
654L95.9Very high91.6Very high2 Ų254.9 Ų54.91%0.0130%0.302CS..Hα-helixtrans-64.4-38.9-178.7-73.3167.4000113.3F573 A605 V607 E640 L642 G650 I651 Q656 T657 S658 H665F573-L654 HydrophobicContact CE1-CB 3.97Å; F573-L654 HydrophobicContact CE1-CD1 3.79Å; F573-L654 HydrophobicContact CZ-CB 3.9Å; A605-L654 HydrophobicContact CB-CD1 4.19Å; V607-L654 HydrophobicContact CG2-CD1 3.49Å; V607-L654 VanDerWaalsContact CG2-CD1 3.49Å; E640-L654 HydrophobicContact CG-CD2 3.83Å; L642-L654 HydrophobicContact CB-CD1 3.87Å; L642-L654 HydrophobicContact CB-CD2 4.23Å; L642-L654 HydrophobicContact CB-CG 4.09Å; L642-L654 HydrophobicContact CD2-CD1 4.38Å; L642-L654 HydrophobicContact CD2-CG 4Å; G650-L654 PolarHBondContact O-N 2.71Å; G650-L654 VanDerWaalsContact O-N 3.13Å; I651-L654 PolarHBondContact O-N 3.14Å; L654-Q656 PolarHBondContact O-N 3.06Å; L654-T657 PolarHBondContact O-N 2.82Å; L654-S658 WeakPolarHBondContact O-CB 3.25Å; L654-S658 PolarHBondContact O-N 3.03Å; L654-H665 PolarHBondContact O-CE1 2.82Å
655V95.5Very high91.5Very high0 Ų054.3 Ų54.30%030%0.297CS..Hα-helixtrans-63.6-29.8174.3172.60000111.6L571 F573 I651 S652 A653 H665 V668 I692 A696L571-V655 HydrophobicContact CD2-CG2 4.44Å; F573-V655 HydrophobicContact CE2-CG2 3.76Å; F573-V655 HydrophobicContact CZ-CG2 3.82Å; I651-V655 HydrophobicContact CG2-CG2 4.18Å; I651-V655 WeakPolarHBondContact O-CG2 3.24Å; I651-V655 PolarHBondContact O-N 2.86Å; S652-V655 PolarHBondContact O-N 3.05Å; A653-V655 PolarHBondContact O-N 2.87Å; V655-H665 PolarHBondContact O-CE1 3.42Å; V655-H665 PolarHBondContact O-NE2 2.77Å; V655-H665 VanDerWaalsContact O-NE2 3.09Å; V655-V668 HydrophobicContact CG1-CG2 4.43Å; V655-V668 HydrophobicContact CG2-CG2 4.2Å; V655-I692 HydrophobicContact CB-CG2 4.14Å; V655-I692 HydrophobicContact CG1-CG2 4.06Å; V655-A696 HydrophobicContact CG1-CB 3.78Å
656Q93.2Very high91.4Very high132 Ų13245.9 Ų45.962%0.61727%0.267SS*.Hα-helixtrans-85.9-34.6179.3-70.5175.765.400113.1S652 A653 L654S652-Q656 WeakPolarHBondContact O-CB 3.11Å; S652-Q656 VanDerWaalsContact O-CG 3.25Å; S652-Q656 WeakPolarHBondContact O-CG 3.46Å; S652-Q656 PolarHBondContact O-N 3.03Å; S652-Q656 VanDerWaalsContact O-N 3.15Å; S652-Q656 PolarHBondContact O-NE2 3.46Å; S652-Q656 VanDerWaalsContact O-NE2 3.17Å; S652-Q656 PolarHBondContact OG-NE2 3.11Å; A653-Q656 PolarHBondContact O-N 2.78Å; L654-Q656 PolarHBondContact O-N 3.06Å
657T92.7Very high91.4Very high96 Ų9643 Ų4359%0.58925%0.251SS*.Hα-helixtrans-117.3-11.5-165.768.50000115.3A653 L654 G659A653-T657 PolarHBondContact O-N 2.96Å; A653-T657 PolarHBondContact O-OG1 3.33Å; L654-T657 PolarHBondContact O-N 2.82Å; T657-G659 PolarHBondContact O-N 3.11Å
658S93.8Very high91.7Very high3 Ų340.8 Ų40.82%0.02124%0.238CC..  trans-69.6122.6-174.5-173.10000112.1L571 E640 L654 H665L571-S658 WeakPolarHBondContact CD1-OG 3.35Å; E640-S658 VanDerWaalsContact OE2-CB 3.28Å; E640-S658 WeakPolarHBondContact OE2-CB 3.37Å; E640-S658 PolarHBondContact OE2-OG 3.18Å; L654-S658 WeakPolarHBondContact O-CB 3.25Å; L654-S658 PolarHBondContact O-N 3.03Å; S658-H665 PolarHBondContact O-ND1 2.76Å
659G88.9Confident91.8Very high37 Ų3739.8 Ų39.838%0.38123%0.232SC..EExtended strand (participates in β ladder)trans128-177.6-175.100000112.5T657 M663T657-G659 PolarHBondContact O-N 3.11Å; G659-M663 CarbonylContact C-O 3.42Å; G659-M663 VanDerWaalsContact CA-O 3.24Å; G659-M663 WeakPolarHBondContact CA-O 3.42Å
660L87.2Confident91.8Very high125 Ų12534 Ų3465%0.65421%0.205SC*.EExtended strand (participates in β ladder)trans-151.2126.1174.9-175.666.5000111L553 M663L553-L660 HydrophobicContact CD1-CD2 3.88Å; L553-L660 HydrophobicContact CD1-CG 4.32Å; L660-M663 PolarHBondContact N-O 3.39Å; L660-M663 PolarHBondContact O-N 3.37Å
661G81.4Confident91.7Very high35 Ų3535 Ų3536%0.36122%0.215SC..THydrogen-bonded Turntrans56.2-135.1-178.400000111.7M663G661-M663 PolarHBondContact O-N 3.2Å
662G80.7Confident91.6Very high18 Ų1835.2 Ų35.219%0.18622%0.215CC..THydrogen-bonded Turntrans-68.4-7.5175.100000115.7E664G662-E664 PolarHBondContact O-N 3.4Å
663M86Confident91.4Very high64 Ų6435 Ų3532%0.31521%0.213SC..EExtended strand (participates in β ladder)trans-95.571174.6-76.4-173.955.400110.9L553 L556 L601 F638 G659 L660 G661L553-M663 HydrophobicContact CD2-CB 3.6Å; L553-M663 HydrophobicContact CD2-CG 3.4Å; L553-M663 HydrophobicContact CD2-SD 3.43Å; L553-M663 WeakPolarHBondContact CD2-SD 3.25Å; L556-M663 HydrophobicContact CD1-CG 4.17Å; L601-M663 HydrophobicContact CD1-CE 3.82Å; L601-M663 HydrophobicContact CD2-CB 4.42Å; L601-M663 HydrophobicContact CD2-CE 4.48Å; F638-M663 HydrophobicContact CE2-CE 4.49Å; G659-M663 CarbonylContact C-O 3.42Å; G659-M663 VanDerWaalsContact CA-O 3.24Å; G659-M663 WeakPolarHBondContact CA-O 3.42Å; L660-M663 PolarHBondContact N-O 3.39Å; L660-M663 PolarHBondContact O-N 3.37Å; G661-M663 PolarHBondContact O-N 3.2Å
664E88.9Confident90.7Very high89 Ų8937 Ų3742%0.41623%0.225SC..EExtended strand (participates in β ladder)trans-106.515017256.9157.2-152.900112Q569 G662 K698Q569-E664 VanDerWaalsContact CB-O 3.3Å; Q569-E664 WeakPolarHBondContact CB-O 3.39Å; Q569-E664 PolarHBondContact OE1-O 3.48Å; G662-E664 PolarHBondContact O-N 3.4Å; E664-K698 IonicContact OE1-NZ 3.62Å; E664-K698 PolarHBondContact OE1-NZ 3.05Å; E664-K698 IonicContact OE2-NZ 3.44Å; E664-K698 PolarHBondContact OE2-NZ 3.46Å
665H93Very high90.2Very high2 Ų242.7 Ų42.71%0.00926%0.256CS..  trans-64.7142.2168.871.6-75.3000110Q569 L571 L654 V655 S658 K698Q569-H665 CarbonylContact O-C 3.59Å; Q569-H665 VanDerWaalsContact O-CA 3.29Å; Q569-H665 WeakPolarHBondContact O-CA 3.3Å; Q569-H665 WeakPolarHBondContact O-CB 3.44Å; L571-H665 HydrophobicContact CB-CB 3.78Å; L654-H665 PolarHBondContact O-CE1 2.82Å; V655-H665 PolarHBondContact O-CE1 3.42Å; V655-H665 PolarHBondContact O-NE2 2.77Å; V655-H665 VanDerWaalsContact O-NE2 3.09Å; S658-H665 PolarHBondContact O-ND1 2.76Å; H665-K698 WeakPolarHBondContact O-CD 3.27Å; H665-K698 WeakPolarHBondContact O-CE 3.45Å; H665-K698 PolarHBondContact O-NZ 2.85Å
666N91.4Very high89.8Confident21 Ų2143.4 Ų43.411%0.11226%0.258CS..  trans-122-5174.564.614.5000111.9W566 R567 Q569 A699W566-N666 PolarHBondContact NE1-ND2 3.17Å; W566-N666 VanDerWaalsContact NE1-ND2 3.16Å; R567-N666 PolarHBondContact O-ND2 3.39Å; Q569-N666 PolarHBondContact N-OD1 3.44Å; Q569-N666 PolarHBondContact O-N 3.18Å; Q569-N666 PolarHBondContact O-OD1 2.92Å; N666-A699 PolarHBondContact O-N 3.29Å
667T93.2Very high89.5Confident1 Ų143.9 Ų43.91%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-136128.8179.6-59.80000109.3Q569 I570 L571 A699 I701Q569-T667 PolarHBondContact O-N 2.95Å; I570-T667 CarbonylContact C-O 3.42Å; I570-T667 VanDerWaalsContact CA-O 3.31Å; I570-T667 WeakPolarHBondContact CA-O 3.28Å; L571-T667 PolarHBondContact N-O 2.97Å; T667-A699 CarbonylContact C-O 3.3Å; T667-A699 WeakPolarHBondContact CA-O 3.39Å; T667-A699 HydrophobicContact CG2-CB 4.23Å; T667-I701 HydrophobicContact CG2-CD1 3.47Å; T667-I701 VanDerWaalsContact CG2-CD1 3.47Å; T667-I701 HydrophobicContact CG2-CG1 3.82Å
668V95.5Very high89Confident0 Ų043.9 Ų43.90%026%0.262CS..EExtended strand (participates in β ladder)trans-104.5133.5175.6178.50000108.8L571 F573 V655 I670 T693 K698 A699 L700 I701L571-V668 HydrophobicContact CD2-CG2 4.48Å; L571-V668 CarbonylContact O-C 3.58Å; L571-V668 WeakPolarHBondContact O-CA 3.42Å; F573-V668 HydrophobicContact CD2-CG1 3.75Å; F573-V668 HydrophobicContact CE2-CG1 3.65Å; V655-V668 HydrophobicContact CG1-CG2 4.43Å; V655-V668 HydrophobicContact CG2-CG2 4.2Å; V668-I670 HydrophobicContact CG1-CG2 4.01Å; V668-T693 HydrophobicContact CB-CG2 4.02Å; V668-T693 HydrophobicContact CG2-CG2 3.85Å; V668-K698 HydrophobicContact CG2-CB 4.36Å; V668-A699 PolarHBondContact N-O 2.89Å; V668-L700 HydrophobicContact CB-CD1 4Å; V668-L700 HydrophobicContact CG1-CD1 3.94Å; V668-I701 PolarHBondContact O-N 3.33Å
669I94.8Very high88.5Confident0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-115.2125.6174-61.5178.3000109.3I570 L571 V572 F573 L588 A592 M595 I701 L703I570-I669 HydrophobicContact CD1-CD1 4.33Å; I570-I669 HydrophobicContact CG1-CD1 4.48Å; I570-I669 HydrophobicContact CG2-CB 4.42Å; I570-I669 HydrophobicContact CG2-CD1 3.28Å; I570-I669 HydrophobicContact CG2-CG1 3.71Å; L571-I669 PolarHBondContact O-N 3.13Å; V572-I669 HydrophobicContact CG1-CB 4.44Å; V572-I669 HydrophobicContact CG1-CG2 4.42Å; V572-I669 HydrophobicContact CG2-CB 4.41Å; V572-I669 HydrophobicContact CG2-CD1 4.34Å; F573-I669 PolarHBondContact N-O 3.4Å; L588-I669 HydrophobicContact CD2-CG2 4.01Å; A592-I669 HydrophobicContact CB-CD1 3.92Å; M595-I669 HydrophobicContact CE-CD1 3.29Å; M595-I669 HydrophobicContact CE-CG1 4.45Å; I669-I701 WeakPolarHBondContact CA-O 3.46Å; I669-I701 HydrophobicContact CG1-CB 4.05Å; I669-I701 HydrophobicContact CG1-CD1 4.37Å; I669-I701 HydrophobicContact CG1-CG2 4.42Å; I669-L703 HydrophobicContact CG2-CD1 3.72Å
670I94.3Very high88Confident9 Ų951 Ų515%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-131.9154.8173.764.2-179.1000110.9F573 V668 F686 I689 L700 I701 V702 L703F573-I670 HydrophobicContact CB-CG2 4.05Å; F573-I670 HydrophobicContact CD2-CG2 3.69Å; F573-I670 HydrophobicContact CG-CG2 4.25Å; V668-I670 HydrophobicContact CG1-CG2 4.01Å; I670-F686 HydrophobicContact CD1-CD2 3.83Å; I670-F686 HydrophobicContact CD1-CE2 3.38Å; I670-F686 HydrophobicContact CD1-CZ 4.26Å; I670-F686 HydrophobicContact CG1-CE2 4.02Å; I670-I689 HydrophobicContact CD1-CG2 3.89Å; I670-L700 HydrophobicContact CD1-CD1 3.96Å; I670-L700 HydrophobicContact CG1-CD1 4.04Å; I670-I701 PolarHBondContact N-O 3.34Å; I670-V702 HydrophobicContact CD1-CG2 4.12Å; I670-V702 HydrophobicContact CG1-CB 4.38Å; I670-V702 HydrophobicContact CG1-CG1 4.25Å; I670-V702 HydrophobicContact CG1-CG2 3.81Å; I670-V702 VanDerWaalsContact O-CA 3.3Å; I670-V702 WeakPolarHBondContact O-CA 3.29Å; I670-L703 PolarHBondContact O-N 3.07Å
671G92.9Very high87.8Confident23 Ų2346.3 Ų46.324%0.23728%0.281CS..EExtended strand (participates in β ladder)trans-84.4148.5169.200000111.6
672W92.8Very high88.1Confident20 Ų2048 Ų488%0.07628%0.279CS..  trans-60.8136.1168.7-173.4-104.7000110.4S674 W676 F686 V702 L703 K704 M920 I923 E924 L935W672-S674 PolarHBondContact O-N 3.42Å; W672-S674 VanDerWaalsContact O-N 3.12Å; W672-W676 AromaticContact NE1-CD1 3.85Å; W672-W676 AromaticContact NE1-NE1 3.88Å; W672-F686 AromaticContact CE3-CE1 3.92Å; W672-F686 HydrophobicContact CE3-CE1 3.92Å; W672-F686 HydrophobicContact CE3-CE2 4.44Å; W672-F686 AromaticContact CE3-CZ 3.69Å; W672-F686 HydrophobicContact CE3-CZ 3.69Å; W672-F686 HydrophobicContact CH2-CE1 4.29Å; W672-F686 HydrophobicContact CZ3-CD1 4.48Å; W672-F686 AromaticContact CZ3-CE1 3.52Å; W672-F686 HydrophobicContact CZ3-CE1 3.52Å; W672-F686 AromaticContact CZ3-CZ 3.74Å; W672-F686 HydrophobicContact CZ3-CZ 3.74Å; W672-V702 HydrophobicContact CB-CG1 4.28Å; W672-V702 HydrophobicContact CE3-CG1 4.05Å; W672-L703 WeakPolarHBondContact CB-O 3.43Å; W672-L703 PolarHBondContact N-O 2.92Å; W672-K704 HydrophobicContact CB-CB 4.1Å; W672-K704 HydrophobicContact CB-CG 4.09Å; W672-K704 HydrophobicContact CD2-CG 4.36Å; W672-K704 HydrophobicContact CG-CB 4.33Å; W672-K704 HydrophobicContact CG-CG 3.89Å; W672-M920 HydrophobicContact CH2-CE 3.47Å; W672-M920 VanDerWaalsContact CH2-CE 3.47Å; W672-M920 HydrophobicContact CH2-SD 3.68Å; W672-M920 HydrophobicContact CZ2-CE 3.37Å; W672-M920 HydrophobicContact CZ2-SD 4.18Å; W672-M920 HydrophobicContact CZ3-CE 4.16Å; W672-M920 HydrophobicContact CZ3-SD 4.3Å; W672-I923 HydrophobicContact CH2-CB 3.75Å; W672-I923 HydrophobicContact CH2-CG2 3.43Å; W672-I923 VanDerWaalsContact CH2-CG2 3.43Å; W672-I923 HydrophobicContact CZ2-CG2 4.27Å; W672-I923 HydrophobicContact CZ3-CB 4.37Å; W672-I923 HydrophobicContact CZ3-CG2 3.66Å; W672-E924 PolarHBondContact NE1-OE2 3.29Å; W672-L935 HydrophobicContact CE3-CD1 4.05Å; W672-L935 HydrophobicContact CZ3-CD1 3.93Å
673P90.6Very high88.4Confident22 Ų2247.2 Ų47.214%0.14327%0.27CS..  trans-71.3108.8-176.928.6-35.2000111.5W676 F686 M920P673-W676 HydrophobicContact CB-CB 4.15Å; P673-W676 HydrophobicContact CG-CB 4.04Å; P673-W676 HydrophobicContact CG-CG 4.47Å; P673-F686 HydrophobicContact CG-CB 3.99Å; P673-F686 HydrophobicContact CG-CD1 4.43Å; P673-F686 HydrophobicContact CG-CD2 4.08Å; P673-F686 HydrophobicContact CG-CG 3.92Å; P673-M920 HydrophobicContact CG-CE 3.61Å
674S83.2Confident88.5Confident78 Ų7847.7 Ų47.755%0.54527%0.271SS..THydrogen-bonded Turntrans-64.2139.1173.5-36.40000111.3W672 W676 K682W672-S674 PolarHBondContact O-N 3.42Å; W672-S674 VanDerWaalsContact O-N 3.12Å; S674-W676 VanDerWaalsContact C-N 3.27Å; S674-W676 PolarHBondContact O-N 3.08Å; S674-K682 PolarHBondContact O-NZ 3.37Å
675N84.6Confident88.5Confident122 Ų12245.6 Ų45.665%0.65227%0.265SS*.THydrogen-bonded Turntrans54.442.1178.6-57.4-20.8000112.5K677 S678 S679N675-K677 VanDerWaalsContact C-N 3.33Å; N675-S678 PolarHBondContact O-OG 3.34Å; N675-S679 PolarHBondContact O-N 3.32Å; N675-S679 PolarHBondContact O-OG 3.44Å; N675-S679 VanDerWaalsContact O-OG 3.05Å
676W87.6Confident88.5Confident15 Ų1546 Ų466%0.05727%0.267CS..  trans-66.1-36.3178.166.4-98.1000111.8W672 P673 S674 S678 S679 K682 A683 M920 D921 E924W672-W676 AromaticContact NE1-CD1 3.85Å; W672-W676 AromaticContact NE1-NE1 3.88Å; P673-W676 HydrophobicContact CB-CB 4.15Å; P673-W676 HydrophobicContact CG-CB 4.04Å; P673-W676 HydrophobicContact CG-CG 4.47Å; S674-W676 VanDerWaalsContact C-N 3.27Å; S674-W676 PolarHBondContact O-N 3.08Å; W676-S678 VanDerWaalsContact C-N 3.28Å; W676-S678 PolarHBondContact O-N 2.93Å; W676-S679 PolarHBondContact O-N 2.91Å; W676-K682 HydrophobicContact CB-CB 4.35Å; W676-A683 HydrophobicContact CE3-CB 3.91Å; W676-A683 HydrophobicContact CZ3-CB 4.38Å; W676-M920 HydrophobicContact CB-CE 4.36Å; W676-M920 HydrophobicContact CD2-CB 4.12Å; W676-M920 HydrophobicContact CD2-CE 3.89Å; W676-M920 HydrophobicContact CE3-CB 3.95Å; W676-M920 HydrophobicContact CE3-CG 4.37Å; W676-M920 HydrophobicContact CG-CE 3.79Å; W676-M920 HydrophobicContact CH2-CB 3.32Å; W676-M920 HydrophobicContact CZ2-CB 3.52Å; W676-M920 HydrophobicContact CZ3-CB 3.56Å; W676-M920 HydrophobicContact CZ3-CG 4.34Å; W676-D921 WeakPolarHBondContact CH2-OD1 3.44Å; W676-E924 HydrophobicContact CZ2-CB 4.41Å; W676-E924 PolarHBondContact NE1-OE2 3.41Å
677K85.5Confident88.5Confident141 Ų14145 Ų4561%0.61326%0.261SS*.THydrogen-bonded Turntrans-59.7-33.2178.3-65.8-168174.2-159.80114.1N675 D921N675-K677 VanDerWaalsContact C-N 3.33Å; K677-D921 WeakPolarHBondContact CE-OD1 3.37Å; K677-D921 IonicContact NZ-OD1 2.77Å; K677-D921 PolarHBondContact NZ-OD1 3.35Å
678S83.3Confident88.5Confident96 Ų9647.7 Ų47.767%0.67127%0.274SS*.THydrogen-bonded Turntrans-94.9-6.1-177.661.10000113.9N675 W676N675-S678 PolarHBondContact O-OG 3.34Å; W676-S678 VanDerWaalsContact C-N 3.28Å; W676-S678 PolarHBondContact O-N 2.93Å
679S81.9Confident88.3Confident35 Ų3548.3 Ų48.325%0.24528%0.277CS..SBendtrans-118.1110.1-174.6-570000110.7N675 W676 G681 K682N675-S679 PolarHBondContact O-N 3.32Å; N675-S679 PolarHBondContact O-OG 3.44Å; N675-S679 VanDerWaalsContact O-OG 3.05Å; W676-S679 PolarHBondContact O-N 2.91Å; S679-G681 PolarHBondContact O-N 3.19Å; S679-K682 VanDerWaalsContact CB-CD 3.45Å; S679-K682 PolarHBondContact O-N 3.1Å; S679-K682 VanDerWaalsContact OG-CE 3.3Å; S679-K682 WeakPolarHBondContact OG-CE 3.44Å; S679-K682 PolarHBondContact OG-NZ 3.22Å
680V79.8Confident88.2Confident156 Ų15648.7 Ų48.795%0.94528%0.279SS*.THydrogen-bonded Turntrans-54.8131.7177.2-174.90000110.5K682V680-K682 PolarHBondContact O-N 2.87Å
681G82.8Confident88.1Confident26 Ų2651 Ų5127%0.26829%0.287SS..THydrogen-bonded Turntrans87.6-15174.700000115.8S679 E684 T685S679-G681 PolarHBondContact O-N 3.19Å; G681-E684 WeakPolarHBondContact CA-OE2 3.48Å; G681-E684 PolarHBondContact N-OE2 3.13Å; G681-T685 VanDerWaalsContact O-CB 3.28Å; G681-T685 WeakPolarHBondContact O-CB 3.39Å; G681-T685 PolarHBondContact O-N 2.83Å; G681-T685 PolarHBondContact O-OG1 3.05Å
682K87.1Confident88.1Confident71 Ų7150.8 Ų50.831%0.30928%0.28SS..Hα-helixtrans-70.4-38.4-177.2-79.3-165.6-167.9154.20112.9S674 W676 S679 V680 F686S674-K682 PolarHBondContact O-NZ 3.37Å; W676-K682 HydrophobicContact CB-CB 4.35Å; S679-K682 VanDerWaalsContact CB-CD 3.45Å; S679-K682 PolarHBondContact O-N 3.1Å; S679-K682 VanDerWaalsContact OG-CE 3.3Å; S679-K682 WeakPolarHBondContact OG-CE 3.44Å; S679-K682 PolarHBondContact OG-NZ 3.22Å; V680-K682 PolarHBondContact O-N 2.87Å; K682-F686 WeakPolarHBondContact O-CB 3.42Å; K682-F686 PolarHBondContact O-N 3.01Å
683A87.8Confident88.1Confident1 Ų149.9 Ų49.91%0.00828%0.277CS..Hα-helixtrans-64.7-49.5177.800000109.9W676 T685 F686 V687 N917 M920W676-A683 HydrophobicContact CE3-CB 3.91Å; W676-A683 HydrophobicContact CZ3-CB 4.38Å; A683-T685 VanDerWaalsContact C-N 3.34Å; A683-T685 PolarHBondContact O-N 2.82Å; A683-F686 PolarHBondContact O-N 2.9Å; A683-V687 WeakPolarHBondContact O-CG2 3.32Å; A683-V687 PolarHBondContact O-N 2.9Å; A683-N917 WeakPolarHBondContact CB-OD1 3.22Å; A683-M920 HydrophobicContact CB-CG 3.9Å
684E88.4Confident88.1Confident73 Ų7355.1 Ų55.134%0.34129%0.294SS..Hα-helixtrans-59.7-44.6178.2-59.483.4174.800110.7G681 F686 V687 E688 D916G681-E684 WeakPolarHBondContact CA-OE2 3.48Å; G681-E684 PolarHBondContact N-OE2 3.13Å; E684-F686 PolarHBondContact O-N 3.18Å; E684-V687 PolarHBondContact O-N 2.81Å; E684-E688 VanDerWaalsContact O-CB 3.28Å; E684-E688 WeakPolarHBondContact O-CB 3.47Å; E684-E688 PolarHBondContact O-N 2.81Å; E684-D916 HydrophobicContact CG-CB 4.41Å
685T89.1Confident88.5Confident46 Ų4655.2 Ų55.228%0.28230%0.299SS..Hα-helixtrans-57.8-49.1175-64.50000111.7V648 G681 A683 E688 I689V648-T685 HydrophobicContact CG2-CG2 3.73Å; G681-T685 VanDerWaalsContact O-CB 3.28Å; G681-T685 WeakPolarHBondContact O-CB 3.39Å; G681-T685 PolarHBondContact O-N 2.83Å; G681-T685 PolarHBondContact O-OG1 3.05Å; A683-T685 VanDerWaalsContact C-N 3.34Å; A683-T685 PolarHBondContact O-N 2.82Å; T685-E688 PolarHBondContact O-N 2.86Å; T685-I689 HydrophobicContact CG2-CD1 4.15Å; T685-I689 VanDerWaalsContact O-CG1 3.26Å; T685-I689 WeakPolarHBondContact O-CG1 3.44Å; T685-I689 PolarHBondContact O-N 2.77Å; T685-I689 VanDerWaalsContact O-N 3.09Å
686F92.1Very high88.8Confident9 Ų950.8 Ų50.84%0.03928%0.28CS..Hα-helixtrans-66.5-42.8-178177-97.4000112I670 W672 P673 K682 A683 E684 E688 I689 I690 V702 M920I670-F686 HydrophobicContact CD1-CD2 3.83Å; I670-F686 HydrophobicContact CD1-CE2 3.38Å; I670-F686 HydrophobicContact CD1-CZ 4.26Å; I670-F686 HydrophobicContact CG1-CE2 4.02Å; W672-F686 AromaticContact CE3-CE1 3.92Å; W672-F686 HydrophobicContact CE3-CE1 3.92Å; W672-F686 HydrophobicContact CE3-CE2 4.44Å; W672-F686 AromaticContact CE3-CZ 3.69Å; W672-F686 HydrophobicContact CE3-CZ 3.69Å; W672-F686 HydrophobicContact CH2-CE1 4.29Å; W672-F686 HydrophobicContact CZ3-CD1 4.48Å; W672-F686 AromaticContact CZ3-CE1 3.52Å; W672-F686 HydrophobicContact CZ3-CE1 3.52Å; W672-F686 AromaticContact CZ3-CZ 3.74Å; W672-F686 HydrophobicContact CZ3-CZ 3.74Å; P673-F686 HydrophobicContact CG-CB 3.99Å; P673-F686 HydrophobicContact CG-CD1 4.43Å; P673-F686 HydrophobicContact CG-CD2 4.08Å; P673-F686 HydrophobicContact CG-CG 3.92Å; K682-F686 WeakPolarHBondContact O-CB 3.42Å; K682-F686 PolarHBondContact O-N 3.01Å; A683-F686 PolarHBondContact O-N 2.9Å; E684-F686 PolarHBondContact O-N 3.18Å; F686-E688 VanDerWaalsContact C-N 3.33Å; F686-E688 PolarHBondContact O-N 2.91Å; F686-I689 WeakPolarHBondContact O-CB 3.3Å; F686-I689 PolarHBondContact O-N 3.39Å; F686-I690 HydrophobicContact CD1-CD1 4.04Å; F686-I690 HydrophobicContact CE1-CD1 3.6Å; F686-I690 HydrophobicContact CE1-CG1 4.34Å; F686-I690 HydrophobicContact CZ-CD1 4.19Å; F686-I690 PolarHBondContact O-N 3.4Å; F686-V702 HydrophobicContact CE2-CG1 3.87Å; F686-V702 HydrophobicContact CE2-CG2 4.29Å; F686-V702 HydrophobicContact CZ-CB 4.45Å; F686-V702 HydrophobicContact CZ-CG1 3.75Å; F686-V702 HydrophobicContact CZ-CG2 3.96Å; F686-M920 HydrophobicContact CD1-CE 3.96Å; F686-M920 HydrophobicContact CD1-SD 3.47Å; F686-M920 WeakPolarHBondContact CD1-SD 3.43Å; F686-M920 HydrophobicContact CE1-CE 4.38Å; F686-M920 HydrophobicContact CE1-SD 3.89Å; F686-M920 HydrophobicContact CG-SD 4.48Å
687V92.2Very high89Confident0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-65.6-37.5177.5176.50000111.4A683 E684 I689 I690 R691 P910 D916 Y919 M920A683-V687 WeakPolarHBondContact O-CG2 3.32Å; A683-V687 PolarHBondContact O-N 2.9Å; E684-V687 PolarHBondContact O-N 2.81Å; V687-I689 VanDerWaalsContact C-N 3.34Å; V687-I689 PolarHBondContact O-N 3.09Å; V687-I690 WeakPolarHBondContact O-CB 3.38Å; V687-I690 PolarHBondContact O-N 3.3Å; V687-R691 WeakPolarHBondContact O-CG 3.48Å; V687-R691 PolarHBondContact O-N 2.78Å; V687-R691 VanDerWaalsContact O-N 3.09Å; V687-P910 HydrophobicContact CG1-CB 3.49Å; V687-P910 VanDerWaalsContact CG1-CB 3.49Å; V687-P910 HydrophobicContact CG1-CG 3.82Å; V687-D916 HydrophobicContact CB-CB 4.15Å; V687-D916 HydrophobicContact CG1-CB 4.3Å; V687-D916 WeakPolarHBondContact CG1-OD1 3.44Å; V687-D916 HydrophobicContact CG2-CB 4.08Å; V687-Y919 HydrophobicContact CG2-CD1 3.56Å; V687-Y919 HydrophobicContact CG2-CE1 4.06Å; V687-Y919 HydrophobicContact CG2-CG 4.48Å; V687-M920 HydrophobicContact CG2-CG 4.13Å; V687-M920 HydrophobicContact CG2-SD 4.14Å
688E91.3Very high89.3Confident59 Ų5951 Ų5128%0.27628%0.282SS..Hα-helixtrans-63.4-38.7174-167.362.4-15700111.6V648 E684 T685 F686 I690 R691 I692V648-E688 HydrophobicContact CG1-CB 4.03Å; V648-E688 HydrophobicContact CG1-CG 3.71Å; E684-E688 VanDerWaalsContact O-CB 3.28Å; E684-E688 WeakPolarHBondContact O-CB 3.47Å; E684-E688 PolarHBondContact O-N 2.81Å; T685-E688 PolarHBondContact O-N 2.86Å; F686-E688 VanDerWaalsContact C-N 3.33Å; F686-E688 PolarHBondContact O-N 2.91Å; E688-I690 VanDerWaalsContact C-N 3.28Å; E688-I690 PolarHBondContact O-N 2.8Å; E688-R691 WeakPolarHBondContact O-CB 3.14Å; E688-R691 PolarHBondContact O-N 2.97Å; E688-R691 VanDerWaalsContact O-N 3.1Å; E688-R691 WeakPolarHBondContact OE2-CD 3.42Å; E688-R691 IonicContact OE2-NE 2.71Å; E688-I692 HydrophobicContact CG-CD1 4.02Å; E688-I692 HydrophobicContact CG-CG1 4.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.42Å; E688-I692 VanDerWaalsContact O-CG1 3.26Å; E688-I692 WeakPolarHBondContact O-CG1 3.49Å; E688-I692 PolarHBondContact O-N 2.83Å
689I91.9Very high89.8Confident12 Ų1246.5 Ų46.56%0.06225%0.25CC..Hα-helixtrans-60.2-38.5173.9-64.7163.6000111.5I651 I670 T685 F686 V687 I692 T693I651-I689 HydrophobicContact CD1-CD1 3.54Å; I651-I689 HydrophobicContact CD1-CG1 4.19Å; I651-I689 HydrophobicContact CG2-CD1 4.26Å; I651-I689 HydrophobicContact CG2-CG1 3.89Å; I651-I689 HydrophobicContact CG2-CG2 4.16Å; I670-I689 HydrophobicContact CD1-CG2 3.89Å; T685-I689 HydrophobicContact CG2-CD1 4.15Å; T685-I689 VanDerWaalsContact O-CG1 3.26Å; T685-I689 WeakPolarHBondContact O-CG1 3.44Å; T685-I689 PolarHBondContact O-N 2.77Å; T685-I689 VanDerWaalsContact O-N 3.09Å; F686-I689 WeakPolarHBondContact O-CB 3.3Å; F686-I689 PolarHBondContact O-N 3.39Å; V687-I689 VanDerWaalsContact C-N 3.34Å; V687-I689 PolarHBondContact O-N 3.09Å; I689-I692 PolarHBondContact O-N 2.96Å; I689-T693 WeakPolarHBondContact O-CB 3.48Å; I689-T693 PolarHBondContact O-N 3.22Å; I689-T693 PolarHBondContact O-OG1 2.85Å
690I92.8Very high90.4Very high9 Ų945 Ų455%0.04624%0.239CC..Hα-helixtrans-62.1-45.9174.6-60.8171.6000110.2F686 V687 E688 T693 R694 L700 L907 P910 Y919F686-I690 HydrophobicContact CD1-CD1 4.04Å; F686-I690 HydrophobicContact CE1-CD1 3.6Å; F686-I690 HydrophobicContact CE1-CG1 4.34Å; F686-I690 HydrophobicContact CZ-CD1 4.19Å; F686-I690 PolarHBondContact O-N 3.4Å; V687-I690 WeakPolarHBondContact O-CB 3.38Å; V687-I690 PolarHBondContact O-N 3.3Å; E688-I690 VanDerWaalsContact C-N 3.28Å; E688-I690 PolarHBondContact O-N 2.8Å; I690-T693 PolarHBondContact O-N 2.6Å; I690-R694 WeakPolarHBondContact O-CB 3.42Å; I690-R694 PolarHBondContact O-N 2.74Å; I690-R694 VanDerWaalsContact O-N 3.08Å; I690-L700 HydrophobicContact CB-CD2 4.23Å; I690-L700 HydrophobicContact CG1-CD2 3.73Å; I690-L700 HydrophobicContact CG2-CD2 4.32Å; I690-L907 HydrophobicContact CD1-CD2 4.04Å; I690-L907 HydrophobicContact CG1-CD2 4.27Å; I690-P910 HydrophobicContact CB-CG 4.41Å; I690-P910 HydrophobicContact CG2-CG 4.04Å; I690-Y919 HydrophobicContact CD1-CE1 3.67Å; I690-Y919 WeakPolarHBondContact CD1-OH 3.35Å
691R92.4Very high91.1Very high56 Ų5637.6 Ų37.621%0.21119%0.194CC..Hα-helixtrans-61.4-44.7178.1-63.9172.6-165.1-115.3-1.3111.4V687 E688 R694 A695 P910 R911 G912 D916V687-R691 WeakPolarHBondContact O-CG 3.48Å; V687-R691 PolarHBondContact O-N 2.78Å; V687-R691 VanDerWaalsContact O-N 3.09Å; E688-R691 WeakPolarHBondContact O-CB 3.14Å; E688-R691 PolarHBondContact O-N 2.97Å; E688-R691 VanDerWaalsContact O-N 3.1Å; E688-R691 WeakPolarHBondContact OE2-CD 3.42Å; E688-R691 IonicContact OE2-NE 2.71Å; R691-R694 PolarHBondContact O-N 2.7Å; R691-A695 WeakPolarHBondContact O-CB 3.28Å; R691-A695 PolarHBondContact O-N 2.95Å; R691-P910 HydrophobicContact CG-CG 4.18Å; R691-R911 PolarHBondContact NH2-O 3.04Å; R691-G912 PolarHBondContact NH2-O 3.08Å; R691-D916 IonicContact CZ-OD1 3.25Å; R691-D916 IonicContact NH2-OD1 3.5Å; R691-D916 PolarHBondContact NH2-OD1 2.9Å
692I93.5Very high91.7Very high19 Ų1936.3 Ų36.310%0.09718%0.181CC..Hα-helixtrans-60.7-51.3177.8-70.2160.9000111V648 V655 E688 I689 R694 A695 A696V648-I692 HydrophobicContact CG1-CD1 3.94Å; V655-I692 HydrophobicContact CB-CG2 4.14Å; V655-I692 HydrophobicContact CG1-CG2 4.06Å; E688-I692 HydrophobicContact CG-CD1 4.02Å; E688-I692 HydrophobicContact CG-CG1 4.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.42Å; E688-I692 VanDerWaalsContact O-CG1 3.26Å; E688-I692 WeakPolarHBondContact O-CG1 3.49Å; E688-I692 PolarHBondContact O-N 2.83Å; I689-I692 PolarHBondContact O-N 2.96Å; I692-R694 VanDerWaalsContact C-N 3.26Å; I692-R694 PolarHBondContact O-N 3.3Å; I692-A695 PolarHBondContact O-N 3.45Å; I692-A695 VanDerWaalsContact O-N 3.12Å; I692-A696 WeakPolarHBondContact O-CB 3.31Å; I692-A696 PolarHBondContact O-N 3.26Å
693T93.3Very high92.1Very high1 Ų133 Ų331%0.00617%0.167CC..Hα-helixtrans-62-38.4-176.7-52.20000111.2V668 I689 I690 A696 K697 K698 L700V668-T693 HydrophobicContact CB-CG2 4.02Å; V668-T693 HydrophobicContact CG2-CG2 3.85Å; I689-T693 WeakPolarHBondContact O-CB 3.48Å; I689-T693 PolarHBondContact O-N 3.22Å; I689-T693 PolarHBondContact O-OG1 2.85Å; I690-T693 PolarHBondContact O-N 2.6Å; T693-A696 PolarHBondContact O-N 3.01Å; T693-K697 PolarHBondContact O-N 2.79Å; T693-K698 HydrophobicContact CG2-CB 3.87Å; T693-K698 PolarHBondContact O-N 3.01Å; T693-K698 VanDerWaalsContact O-N 3.08Å; T693-L700 HydrophobicContact CG2-CB 3.94Å; T693-L700 HydrophobicContact CG2-CD1 4.25Å
694R89.3Confident92.3Very high132 Ų13233.2 Ų33.250%0.49817%0.167SC..Hα-helixtrans-64.4-48.5172.7-179.1-169.2177.4172.212.9112.1I690 R691 I692 A696 K697 E909I690-R694 WeakPolarHBondContact O-CB 3.42Å; I690-R694 PolarHBondContact O-N 2.74Å; I690-R694 VanDerWaalsContact O-N 3.08Å; R691-R694 PolarHBondContact O-N 2.7Å; I692-R694 VanDerWaalsContact C-N 3.26Å; I692-R694 PolarHBondContact O-N 3.3Å; R694-A696 PolarHBondContact O-N 2.91Å; R694-K697 WeakPolarHBondContact O-CA 3.48Å; R694-K697 PolarHBondContact O-N 2.83Å; R694-E909 IonicContact CZ-OE1 3.2Å; R694-E909 VanDerWaalsContact CZ-OE1 3.26Å; R694-E909 IonicContact CZ-OE2 2.64Å; R694-E909 IonicContact NE-OE1 3.23Å; R694-E909 IonicContact NE-OE2 3.6Å; R694-E909 IonicContact NH1-OE1 2.66Å; R694-E909 IonicContact NH1-OE2 3.95Å; R694-E909 PolarHBondContact NH1-OE2 2.96Å; R694-E909 IonicContact NH2-OE1 3.68Å; R694-E909 PolarHBondContact NH2-OE1 3.22Å; R694-E909 VanDerWaalsContact NH2-OE1 3.08Å; R694-E909 IonicContact NH2-OE2 3.4Å; R694-E909 PolarHBondContact NH2-OE2 2.82Å
695A91.8Very high92.4Very high80 Ų8032.6 Ų32.666%0.66117%0.166SC*.Hα-helixtrans-58.9-36.7178.800000111.3R691 I692 K697R691-A695 WeakPolarHBondContact O-CB 3.28Å; R691-A695 PolarHBondContact O-N 2.95Å; I692-A695 PolarHBondContact O-N 3.45Å; I692-A695 VanDerWaalsContact O-N 3.12Å; A695-K697 PolarHBondContact O-N 2.77Å
696A91.7Very high92.2Very high30 Ų3031 Ų3125%0.24816%0.157CC..THydrogen-bonded Turntrans-74.3-3.5173.800000114.4V655 I692 T693 R694 K698V655-A696 HydrophobicContact CG1-CB 3.78Å; I692-A696 WeakPolarHBondContact O-CB 3.31Å; I692-A696 PolarHBondContact O-N 3.26Å; T693-A696 PolarHBondContact O-N 3.01Å; R694-A696 PolarHBondContact O-N 2.91Å; A696-K698 VanDerWaalsContact C-N 3.31Å; A696-K698 HydrophobicContact CB-CG 3.9Å; A696-K698 PolarHBondContact O-N 2.77Å
697K90.7Very high92Very high140 Ų14034.8 Ų34.861%0.60918%0.178SC*.THydrogen-bonded Turntrans52.547.1-176.6-57.4177-177.6173.80112.2T693 R694 A695 T939T693-K697 PolarHBondContact O-N 2.79Å; R694-K697 WeakPolarHBondContact O-CA 3.48Å; R694-K697 PolarHBondContact O-N 2.83Å; A695-K697 PolarHBondContact O-N 2.77Å; K697-T939 VanDerWaalsContact O-CG2 3.28Å; K697-T939 WeakPolarHBondContact O-CG2 3.48Å
698K92.6Very high91.9Very high21 Ų2139.7 Ų39.79%0.09120%0.201CC..  trans-111.8148175.6-53.4-65.9177.91700109.7E664 H665 V668 T693 A696 T939E664-K698 IonicContact OE1-NZ 3.62Å; E664-K698 PolarHBondContact OE1-NZ 3.05Å; E664-K698 IonicContact OE2-NZ 3.44Å; E664-K698 PolarHBondContact OE2-NZ 3.46Å; H665-K698 WeakPolarHBondContact O-CD 3.27Å; H665-K698 WeakPolarHBondContact O-CE 3.45Å; H665-K698 PolarHBondContact O-NZ 2.85Å; V668-K698 HydrophobicContact CG2-CB 4.36Å; T693-K698 HydrophobicContact CG2-CB 3.87Å; T693-K698 PolarHBondContact O-N 3.01Å; T693-K698 VanDerWaalsContact O-N 3.08Å; A696-K698 VanDerWaalsContact C-N 3.31Å; A696-K698 HydrophobicContact CB-CG 3.9Å; A696-K698 PolarHBondContact O-N 2.77Å; K698-T939 WeakPolarHBondContact O-CG2 2.94Å
699A92.4Very high92Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-68.5143.7172.200000109.4N666 T667 V668 I731 K937N666-A699 PolarHBondContact O-N 3.29Å; T667-A699 CarbonylContact C-O 3.3Å; T667-A699 WeakPolarHBondContact CA-O 3.39Å; T667-A699 HydrophobicContact CG2-CB 4.23Å; V668-A699 PolarHBondContact N-O 2.89Å; A699-I731 HydrophobicContact CB-CD1 3.64Å; A699-K937 CarbonylContact C-O 3.59Å; A699-K937 VanDerWaalsContact CA-O 3.29Å; A699-K937 WeakPolarHBondContact CA-O 3.41Å
700L94.9Very high92Very high3 Ų336.4 Ų36.42%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-118.4131.3175.7-177.162.3000109.8V668 I670 I690 T693 V702 L907 V936 K937V668-L700 HydrophobicContact CB-CD1 4Å; V668-L700 HydrophobicContact CG1-CD1 3.94Å; I670-L700 HydrophobicContact CD1-CD1 3.96Å; I670-L700 HydrophobicContact CG1-CD1 4.04Å; I690-L700 HydrophobicContact CB-CD2 4.23Å; I690-L700 HydrophobicContact CG1-CD2 3.73Å; I690-L700 HydrophobicContact CG2-CD2 4.32Å; T693-L700 HydrophobicContact CG2-CB 3.94Å; T693-L700 HydrophobicContact CG2-CD1 4.25Å; L700-V702 HydrophobicContact CD1-CG2 4.47Å; L700-V702 HydrophobicContact CD2-CG2 4.14Å; L700-V702 HydrophobicContact CG-CG2 3.99Å; L700-L907 HydrophobicContact CD2-CD2 3.84Å; L700-L907 HydrophobicContact CG-CD2 4.48Å; L700-V936 CarbonylContact O-C 3.57Å; L700-V936 WeakPolarHBondContact O-CA 3.44Å; L700-K937 HydrophobicContact CB-CB 4.15Å; L700-K937 PolarHBondContact N-O 3.01Å; L700-K937 PolarHBondContact O-N 2.91Å
701I94.7Very high91.8Very high1 Ų138.7 Ų38.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-122.2123.2174.5-60.3178.2000107.3F591 M595 T667 V668 I669 I670 L703 L735 V934 L935F591-I701 HydrophobicContact CE1-CG2 4.15Å; M595-I701 HydrophobicContact CE-CD1 4.32Å; M595-I701 HydrophobicContact SD-CD1 4.29Å; T667-I701 HydrophobicContact CG2-CD1 3.47Å; T667-I701 VanDerWaalsContact CG2-CD1 3.47Å; T667-I701 HydrophobicContact CG2-CG1 3.82Å; V668-I701 PolarHBondContact O-N 3.33Å; I669-I701 WeakPolarHBondContact CA-O 3.46Å; I669-I701 HydrophobicContact CG1-CB 4.05Å; I669-I701 HydrophobicContact CG1-CD1 4.37Å; I669-I701 HydrophobicContact CG1-CG2 4.42Å; I670-I701 PolarHBondContact N-O 3.34Å; I701-L703 HydrophobicContact CG2-CD1 3.94Å; I701-L735 HydrophobicContact CD1-CD1 3.64Å; I701-L735 HydrophobicContact CD1-CD2 3.96Å; I701-L735 HydrophobicContact CD1-CG 4.47Å; I701-L735 HydrophobicContact CG1-CD1 4.17Å; I701-V934 HydrophobicContact CG2-CG1 3.47Å; I701-V934 VanDerWaalsContact CG2-CG1 3.47Å; I701-L935 CarbonylContact C-O 3.57Å; I701-L935 WeakPolarHBondContact CA-O 3.3Å
702V95.5Very high91.6Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-116.3123.1177.8-172.40000109.5I670 W672 F686 L700 L907 V934 L935I670-V702 HydrophobicContact CD1-CG2 4.12Å; I670-V702 HydrophobicContact CG1-CB 4.38Å; I670-V702 HydrophobicContact CG1-CG1 4.25Å; I670-V702 HydrophobicContact CG1-CG2 3.81Å; I670-V702 VanDerWaalsContact O-CA 3.3Å; I670-V702 WeakPolarHBondContact O-CA 3.29Å; W672-V702 HydrophobicContact CB-CG1 4.28Å; W672-V702 HydrophobicContact CE3-CG1 4.05Å; F686-V702 HydrophobicContact CE2-CG1 3.87Å; F686-V702 HydrophobicContact CE2-CG2 4.29Å; F686-V702 HydrophobicContact CZ-CB 4.45Å; F686-V702 HydrophobicContact CZ-CG1 3.75Å; F686-V702 HydrophobicContact CZ-CG2 3.96Å; L700-V702 HydrophobicContact CD1-CG2 4.47Å; L700-V702 HydrophobicContact CD2-CG2 4.14Å; L700-V702 HydrophobicContact CG-CG2 3.99Å; V702-L907 HydrophobicContact CG2-CD2 3.98Å; V702-V934 WeakPolarHBondContact O-CA 3.37Å; V702-L935 HydrophobicContact CB-CB 4.14Å; V702-L935 PolarHBondContact N-O 3.4Å; V702-L935 PolarHBondContact O-N 3.21Å
703L94.8Very high91.3Very high0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-92.8113.2173.6-75.675.6000109.1L588 F591 I669 I670 W672 I701 F709 V934L588-L703 HydrophobicContact CD2-CB 3.67Å; L588-L703 HydrophobicContact CD2-CD1 3.76Å; L588-L703 HydrophobicContact CD2-CD2 3.95Å; L588-L703 HydrophobicContact CD2-CG 3.97Å; F591-L703 HydrophobicContact CB-CD2 3.65Å; F591-L703 HydrophobicContact CD1-CD1 3.71Å; F591-L703 HydrophobicContact CD1-CD2 3.71Å; F591-L703 HydrophobicContact CD1-CG 4.18Å; F591-L703 HydrophobicContact CD2-CD2 4.12Å; F591-L703 HydrophobicContact CE1-CD1 3.93Å; F591-L703 HydrophobicContact CE1-CD2 4.36Å; F591-L703 HydrophobicContact CE1-CG 4.44Å; F591-L703 HydrophobicContact CG-CD1 4.44Å; F591-L703 HydrophobicContact CG-CD2 3.56Å; F591-L703 HydrophobicContact CG-CG 4.46Å; I669-L703 HydrophobicContact CG2-CD1 3.72Å; I670-L703 PolarHBondContact O-N 3.07Å; W672-L703 WeakPolarHBondContact CB-O 3.43Å; W672-L703 PolarHBondContact N-O 2.92Å; I701-L703 HydrophobicContact CG2-CD1 3.94Å; L703-F709 HydrophobicContact CB-CE2 4.25Å; L703-F709 HydrophobicContact CB-CZ 4.27Å; L703-F709 HydrophobicContact CD2-CD1 3.74Å; L703-F709 HydrophobicContact CD2-CD2 4.19Å; L703-F709 HydrophobicContact CD2-CE1 3.62Å; L703-F709 HydrophobicContact CD2-CE2 4.08Å; L703-F709 HydrophobicContact CD2-CG 4.02Å; L703-F709 HydrophobicContact CD2-CZ 3.8Å; L703-F709 HydrophobicContact CG-CE1 4.13Å; L703-F709 HydrophobicContact CG-CE2 4.33Å; L703-F709 HydrophobicContact CG-CZ 3.93Å; L703-V934 HydrophobicContact CG-CG2 4.42Å
704K93.2Very high91.1Very high6 Ų645.9 Ų45.93%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-86.4140.9168.3-167.9-176.3-178.2-168.50108.9W672 S706 F709 E924 T927 V933W672-K704 HydrophobicContact CB-CB 4.1Å; W672-K704 HydrophobicContact CB-CG 4.09Å; W672-K704 HydrophobicContact CD2-CG 4.36Å; W672-K704 HydrophobicContact CG-CB 4.33Å; W672-K704 HydrophobicContact CG-CG 3.89Å; K704-S706 PolarHBondContact O-N 3.07Å; K704-F709 WeakPolarHBondContact O-CE2 3.21Å; K704-E924 WeakPolarHBondContact CE-OE1 3.3Å; K704-E924 IonicContact NZ-OE1 2.72Å; K704-E924 PolarHBondContact NZ-OE1 3.19Å; K704-T927 WeakPolarHBondContact CD-OG1 3.35Å; K704-T927 PolarHBondContact NZ-O 3.48Å; K704-T927 PolarHBondContact NZ-OG1 3.3Å; K704-V933 HydrophobicContact CB-CB 4.2Å; K704-V933 PolarHBondContact N-O 3.01Å
705N89.4Confident91.2Very high60 Ų6047.3 Ų47.332%0.32126%0.26SS..THydrogen-bonded Turntrans55.647.9-176.3-52.2-27000112.7D707 H708 L930 D931N705-D707 PolarHBondContact O-N 3.18Å; N705-H708 PolarHBondContact O-N 2.83Å; N705-L930 PolarHBondContact ND2-O 3.43Å; N705-L930 VanDerWaalsContact ND2-O 3.08Å; N705-D931 WeakPolarHBondContact CB-O 3.28Å; N705-D931 PolarHBondContact ND2-O 2.77Å
706S85.7Confident91.2Very high13 Ų1344 Ų449%0.09123%0.231CC..G310 helixtrans-51.4-29.4-177.451.20000113.7G584 K587 K704 H708 F709G584-S706 VanDerWaalsContact CA-OG 3.27Å; G584-S706 WeakPolarHBondContact CA-OG 3.35Å; K587-S706 WeakPolarHBondContact CB-O 3.35Å; K587-S706 VanDerWaalsContact CG-O 3.28Å; K587-S706 WeakPolarHBondContact CG-O 3.45Å; K704-S706 PolarHBondContact O-N 3.07Å; S706-H708 PolarHBondContact O-N 3.01Å; S706-F709 WeakPolarHBondContact O-CB 3Å; S706-F709 PolarHBondContact O-N 2.99Å
707D87Confident91.2Very high88 Ų8847.1 Ų47.147%0.47125%0.248SC..G310 helixtrans-63.6-26.6-179.9-59.7-52.9000113.4G584 N705 F709G584-D707 WeakPolarHBondContact CA-OD1 3.1Å; G584-D707 PolarHBondContact N-OD1 2.82Å; N705-D707 PolarHBondContact O-N 3.18Å; D707-F709 VanDerWaalsContact C-N 3.35Å
708H90.4Very high91.3Very high104 Ų10441.8 Ų41.848%0.48123%0.233SC..G310 helixtrans-84.5-6.4179-58.5144.6000113.8N705 S706 D931 R932N705-H708 PolarHBondContact O-N 2.83Å; S706-H708 PolarHBondContact O-N 3.01Å; H708-D931 VanDerWaalsContact CB-OD1 3.25Å; H708-D931 WeakPolarHBondContact CB-OD1 3.41Å; H708-D931 IonicContact CE1-OD1 2.76Å; H708-D931 IonicContact CG-OD1 3.94Å; H708-D931 IonicContact ND1-OD1 3.8Å; H708-D931 PolarHBondContact ND1-OD1 2.87Å; H708-R932 HydrophobicContact CB-CG 4.2Å; H708-R932 WeakPolarHBondContact O-CD 3.25Å; H708-R932 PolarHBondContact O-NE 3.03Å
709F93.2Very high91.4Very high2 Ų242.7 Ų42.71%0.00924%0.239CC..SBendtrans-72148.2178.8-80.2-108.7000111.8K587 F591 L703 K704 S706 D707 L902 R932 V934K587-F709 HydrophobicContact CB-CB 4.18Å; K587-F709 WeakPolarHBondContact CD-O 3.06Å; K587-F709 WeakPolarHBondContact CE-O 3.35Å; K587-F709 PolarHBondContact NZ-O 3.4Å; F591-F709 AromaticContact CD2-CD1 3.75Å; F591-F709 HydrophobicContact CD2-CD1 3.75Å; F591-F709 AromaticContact CD2-CE1 3.81Å; F591-F709 HydrophobicContact CD2-CE1 3.81Å; F591-F709 HydrophobicContact CE2-CD1 4.25Å; F591-F709 AromaticContact CE2-CE1 3.87Å; F591-F709 HydrophobicContact CE2-CE1 3.87Å; F591-F709 HydrophobicContact CG-CD1 4.4Å; L703-F709 HydrophobicContact CB-CE2 4.25Å; L703-F709 HydrophobicContact CB-CZ 4.27Å; L703-F709 HydrophobicContact CD2-CD1 3.74Å; L703-F709 HydrophobicContact CD2-CD2 4.19Å; L703-F709 HydrophobicContact CD2-CE1 3.62Å; L703-F709 HydrophobicContact CD2-CE2 4.08Å; L703-F709 HydrophobicContact CD2-CG 4.02Å; L703-F709 HydrophobicContact CD2-CZ 3.8Å; L703-F709 HydrophobicContact CG-CE1 4.13Å; L703-F709 HydrophobicContact CG-CE2 4.33Å; L703-F709 HydrophobicContact CG-CZ 3.93Å; K704-F709 WeakPolarHBondContact O-CE2 3.21Å; S706-F709 WeakPolarHBondContact O-CB 3Å; S706-F709 PolarHBondContact O-N 2.99Å; D707-F709 VanDerWaalsContact C-N 3.35Å; F709-L902 HydrophobicContact CE1-CD1 3.63Å; F709-L902 HydrophobicContact CZ-CD1 3.89Å; F709-R932 HydrophobicContact CE2-CB 4.08Å; F709-R932 HydrophobicContact CZ-CB 4.13Å; F709-V934 HydrophobicContact CE1-CG2 3.79Å; F709-V934 HydrophobicContact CZ-CG2 3.65Å
710P91.9Very high91.5Very high0 Ų042.7 Ų42.70%024%0.239CC..PPolyproline II helixtrans-70.9148.4-178.830.4-38.6000112.8Q594 E714 I716 V744 W745Q594-P710 PolarHBondContact NE2-O 2.77Å; P710-E714 HydrophobicContact CB-CB 3.93Å; P710-I716 HydrophobicContact CB-CD1 3.7Å; P710-I716 HydrophobicContact CB-CG1 4.2Å; P710-I716 HydrophobicContact CG-CD1 3.44Å; P710-I716 VanDerWaalsContact CG-CD1 3.44Å; P710-I716 HydrophobicContact CG-CG1 4.34Å; P710-V744 HydrophobicContact CB-CG1 3.8Å; P710-V744 HydrophobicContact CG-CG1 3.59Å; P710-W745 HydrophobicContact CG-CH2 4.31Å; P710-W745 HydrophobicContact CG-CZ2 3.54Å
711D89.7Confident91.5Very high57 Ų5742.6 Ų42.631%0.30524%0.238SC..PPolyproline II helixtrans-73.3166.6161.6-72.4-37000112.3K587 A713 E714K587-D711 VanDerWaalsContact CD-OD1 3.26Å; K587-D711 WeakPolarHBondContact CD-OD1 3.29Å; K587-D711 WeakPolarHBondContact CE-OD1 3.35Å; K587-D711 IonicContact NZ-OD1 3.92Å; K587-D711 PolarHBondContact NZ-OD1 2.87Å; K587-D711 IonicContact NZ-OD2 3.88Å; K587-D711 PolarHBondContact NZ-OD2 3.35Å; D711-A713 PolarHBondContact O-N 2.85Å; D711-E714 PolarHBondContact N-OE1 3.41Å; D711-E714 PolarHBondContact O-N 3.44Å; D711-E714 VanDerWaalsContact O-N 3.13Å
712N87.9Confident91.3Very high52 Ų5242.5 Ų42.528%0.27824%0.238SC..THydrogen-bonded Turntrans-63.8-9.2178.5-67.5-22.7000114.6A590 Q594 M633A590-N712 PolarHBondContact O-OD1 3.12Å; Q594-N712 WeakPolarHBondContact CG-OD1 3.43Å; Q594-N712 PolarHBondContact NE2-OD1 3.39Å; M633-N712 PolarHBondContact O-ND2 2.86Å
713A86.4Confident91Very high95 Ų9542.5 Ų42.579%0.78524%0.238SC*.THydrogen-bonded Turntrans-95.8-21178.100000113.3D711D711-A713 PolarHBondContact O-N 2.85Å
714E89.6Confident90.3Very high80 Ų8043.7 Ų43.737%0.37424%0.242SC..  trans-78.2151.1-176.7-65.4172.9-124.800110.7K587 P710 D711 V744K587-E714 IonicContact NZ-OE1 3.68Å; K587-E714 PolarHBondContact NZ-OE1 3.14Å; P710-E714 HydrophobicContact CB-CB 3.93Å; D711-E714 PolarHBondContact N-OE1 3.41Å; D711-E714 PolarHBondContact O-N 3.44Å; D711-E714 VanDerWaalsContact O-N 3.13Å; E714-V744 WeakPolarHBondContact O-CA 3.37Å; E714-V744 WeakPolarHBondContact O-CG1 3.48Å; E714-V744 WeakPolarHBondContact O-CG2 3.13Å
715K91.1Very high89.1Confident161 Ų16145.1 Ų45.170%0.725%0.25SC*.  trans-121.2120.3174.6-68.3-179.6-176.4172.10108.7
716I92.6Very high87.5Confident10 Ų1043.2 Ų43.25%0.05124%0.239CC..  trans-99.6133.5179.9-63.5-174000109.5P710 V744 W745 T748 Q901P710-I716 HydrophobicContact CB-CD1 3.7Å; P710-I716 HydrophobicContact CB-CG1 4.2Å; P710-I716 HydrophobicContact CG-CD1 3.44Å; P710-I716 VanDerWaalsContact CG-CD1 3.44Å; P710-I716 HydrophobicContact CG-CG1 4.34Å; I716-V744 PolarHBondContact N-O 3.45Å; I716-W745 HydrophobicContact CB-CE3 4.29Å; I716-W745 HydrophobicContact CB-CZ3 4.4Å; I716-W745 HydrophobicContact CD1-CE3 4.25Å; I716-W745 HydrophobicContact CD1-CH2 3.55Å; I716-W745 HydrophobicContact CD1-CZ2 3.88Å; I716-W745 HydrophobicContact CD1-CZ3 3.75Å; I716-W745 HydrophobicContact CG2-CE3 4.18Å; I716-W745 HydrophobicContact CG2-CZ3 3.99Å; I716-T748 HydrophobicContact CB-CG2 4.39Å; I716-T748 HydrophobicContact CG2-CG2 3.92Å; I716-T748 WeakPolarHBondContact O-CG2 3.49Å; I716-Q901 HydrophobicContact CG2-CB 3.61Å; I716-Q901 HydrophobicContact CG2-CG 3.64Å
717T91.9Very high86.1Confident97 Ų9745.7 Ų45.760%0.59525%0.249SC*.EExtended strand (participates in β ladder)trans-116.5139.7168.8540000108.8N747 Q901T717-N747 HydrophobicContact CG2-CB 3.78Å; T717-Q901 WeakPolarHBondContact O-CG 3.31Å
718G92.2Very high84.8Confident28 Ų2842.5 Ų42.529%0.28923%0.232SC..EExtended strand (participates in β ladder)trans140.3-153.4-17700000112.1T748 K749G718-T748 CarbonylContact O-C 3.56Å; G718-T748 WeakPolarHBondContact O-CA 3.46Å; G718-T748 WeakPolarHBondContact O-CB 3.25Å; G718-K749 PolarHBondContact O-N 3.15Å
719N94.3Very high83.7Confident40 Ų4037.6 Ų37.621%0.21421%0.209CC..EExtended strand (participates in β ladder)trans-110.9139.8-175.2-56.5-38.9000111.8D721 K749 R751 Q901N719-D721 WeakPolarHBondContact CB-OD1 3.33Å; N719-K749 CarbonylContact C-O 3.35Å; N719-K749 VanDerWaalsContact CA-O 3.3Å; N719-K749 WeakPolarHBondContact CA-O 3.04Å; N719-R751 HydrophobicContact CB-CG 4.33Å; N719-R751 VanDerWaalsContact ND2-CZ 3.32Å; N719-Q901 PolarHBondContact O-N 3.12Å
720I94.4Very high82.9Confident0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-102119163-61.6177000106.3L739 R740 W745 T748 K749 L750 R751 L902 F904I720-L739 HydrophobicContact CD1-CB 4.48Å; I720-R740 HydrophobicContact CD1-CG 4.04Å; I720-W745 HydrophobicContact CD1-CB 4.32Å; I720-W745 HydrophobicContact CD1-CD2 4.39Å; I720-W745 HydrophobicContact CD1-CE3 3.88Å; I720-W745 HydrophobicContact CG1-CE3 4.02Å; I720-W745 HydrophobicContact CG1-CZ3 4.37Å; I720-T748 WeakPolarHBondContact CD1-OG1 3.46Å; I720-T748 HydrophobicContact CG1-CG2 4.46Å; I720-K749 PolarHBondContact N-O 3.09Å; I720-L750 HydrophobicContact CB-CD1 4.08Å; I720-L750 HydrophobicContact CG2-CD1 3.78Å; I720-L750 CarbonylContact O-C 3.56Å; I720-L750 WeakPolarHBondContact O-CA 3.28Å; I720-R751 PolarHBondContact O-N 3.43Å; I720-L902 WeakPolarHBondContact CA-O 3.18Å; I720-L902 HydrophobicContact CG1-CB 4.24Å; I720-L902 HydrophobicContact CG2-CB 4.33Å; I720-L902 HydrophobicContact CG2-CD2 4.18Å; I720-L902 HydrophobicContact CG2-CG 4.46Å; I720-F904 HydrophobicContact CG2-CD2 3.79Å; I720-F904 HydrophobicContact CG2-CE2 3.7Å
721D94.9Very high82.5Confident0 Ų038.1 Ų38.10%022%0.215CC..EExtended strand (participates in β ladder)trans-107.4127.7-175.8-712.9000110.3N719 R751 F753 S897 A900 L902 I903 F904N719-D721 WeakPolarHBondContact CB-OD1 3.33Å; D721-R751 CarbonylContact C-O 3.44Å; D721-R751 WeakPolarHBondContact CA-O 3.41Å; D721-R751 WeakPolarHBondContact OD1-CB 3.39Å; D721-R751 IonicContact OD1-CZ 3.26Å; D721-R751 IonicContact OD1-NE 2.76Å; D721-R751 PolarHBondContact OD1-NE 3.43Å; D721-R751 IonicContact OD1-NH2 2.97Å; D721-R751 PolarHBondContact OD1-NH2 3.21Å; D721-R751 IonicContact OD2-CZ 2.92Å; D721-R751 IonicContact OD2-NE 3.46Å; D721-R751 IonicContact OD2-NH2 2.82Å; D721-R751 PolarHBondContact OD2-NH2 3.43Å; D721-F753 HydrophobicContact CB-CD2 4.2Å; D721-F753 HydrophobicContact CB-CE2 3.95Å; D721-F753 WeakPolarHBondContact OD2-CE2 3.16Å; D721-S897 WeakPolarHBondContact OD2-CA 3.31Å; D721-S897 WeakPolarHBondContact OD2-CB 3.43Å; D721-S897 PolarHBondContact OD2-OG 3.24Å; D721-A900 HydrophobicContact CB-CB 4.11Å; D721-A900 WeakPolarHBondContact OD2-CB 2.97Å; D721-L902 PolarHBondContact N-O 3.48Å; D721-I903 CarbonylContact O-C 3.58Å; D721-I903 WeakPolarHBondContact O-CA 3.2Å; D721-F904 PolarHBondContact O-N 3.19Å
722V91.9Very high82.5Confident0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-109.6112.3176.2176.10000108.8W724 M732 I733 L750 R751 I752 F753 F904V722-W724 PolarHBondContact O-N 3.03Å; V722-M732 HydrophobicContact CG1-CB 3.56Å; V722-M732 HydrophobicContact CG1-CE 3.89Å; V722-M732 HydrophobicContact CG1-SD 4.31Å; V722-M732 HydrophobicContact CG2-CB 4.46Å; V722-I733 HydrophobicContact CG1-CG1 4.27Å; V722-L750 HydrophobicContact CG2-CD1 3.75Å; V722-R751 PolarHBondContact N-O 3.5Å; V722-I752 HydrophobicContact CB-CG1 4.29Å; V722-I752 WeakPolarHBondContact O-CA 3.41Å; V722-F753 PolarHBondContact O-N 2.91Å; V722-F904 HydrophobicContact CB-CB 4.49Å; V722-F904 HydrophobicContact CG2-CB 4.12Å; V722-F904 HydrophobicContact CG2-CD2 3.94Å; V722-F904 HydrophobicContact CG2-CG 4.39Å
723W88.9Confident82.4Confident0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-91.790.8175.4-80.579.2000110.3I725 M732 F753 V755 V786 L889 A892 I893 K896 S897 F904 L905W723-I725 HydrophobicContact CB-CD1 4.17Å; W723-I725 HydrophobicContact CB-CG1 4.47Å; W723-I725 PolarHBondContact O-N 2.95Å; W723-I725 VanDerWaalsContact O-N 3.12Å; W723-M732 WeakPolarHBondContact O-CE 3.14Å; W723-F753 CarbonylContact C-O 3.19Å; W723-F753 WeakPolarHBondContact CA-O 3.3Å; W723-F753 HydrophobicContact CD2-CB 3.76Å; W723-F753 HydrophobicContact CD2-CG 4.41Å; W723-F753 AromaticContact CE2-CG 3.95Å; W723-F753 HydrophobicContact CE3-CB 4.01Å; W723-F753 HydrophobicContact CG-CB 4.21Å; W723-F753 HydrophobicContact CH2-CB 4.36Å; W723-F753 HydrophobicContact CZ2-CB 4.09Å; W723-F753 HydrophobicContact CZ2-CD1 4.32Å; W723-F753 HydrophobicContact CZ2-CG 4.05Å; W723-F753 HydrophobicContact CZ3-CB 4.32Å; W723-F753 AromaticContact NE1-CD2 3.84Å; W723-V755 HydrophobicContact CE3-CG2 4.45Å; W723-V755 HydrophobicContact CZ3-CG2 4.3Å; W723-V786 HydrophobicContact CH2-CG2 3.99Å; W723-V786 HydrophobicContact CZ3-CG2 4.2Å; W723-L889 HydrophobicContact CZ3-CD1 4.29Å; W723-A892 HydrophobicContact CH2-CB 4.4Å; W723-I893 HydrophobicContact CD2-CD1 4.49Å; W723-I893 HydrophobicContact CD2-CG1 3.68Å; W723-I893 HydrophobicContact CE3-CG1 3.79Å; W723-I893 HydrophobicContact CG-CG1 4.33Å; W723-I893 HydrophobicContact CH2-CB 4.42Å; W723-I893 HydrophobicContact CH2-CG1 3.85Å; W723-I893 VanDerWaalsContact CZ2-CA 3.47Å; W723-I893 HydrophobicContact CZ2-CB 4.07Å; W723-I893 HydrophobicContact CZ2-CG1 3.77Å; W723-I893 HydrophobicContact CZ2-CG2 4.38Å; W723-I893 HydrophobicContact CZ3-CG1 3.87Å; W723-K896 HydrophobicContact CZ2-CB 4.06Å; W723-S897 PolarHBondContact NE1-OG 3.33Å; W723-F904 PolarHBondContact N-O 3.34Å; W723-L905 HydrophobicContact CB-CD2 3.42Å; W723-L905 VanDerWaalsContact CB-CD2 3.42Å; W723-L905 HydrophobicContact CB-CG 4.34Å; W723-L905 HydrophobicContact CG-CD2 3.91Å
724W79.9Confident82.4Confident24 Ų2429.8 Ų29.89%0.09116%0.157CC..EExtended strand (participates in β ladder)trans-80.887.3178.2-172-3.2000110.9V722 L726 I733 I752 F753 T754 L769 F772 T830V722-W724 PolarHBondContact O-N 3.03Å; W724-L726 PolarHBondContact NE1-O 2.86Å; W724-I733 HydrophobicContact CE3-CD1 4Å; W724-I733 HydrophobicContact CZ3-CD1 4.03Å; W724-I752 HydrophobicContact CB-CG2 4.45Å; W724-F753 PolarHBondContact N-O 2.95Å; W724-T754 WeakPolarHBondContact O-CA 3.47Å; W724-T754 PolarHBondContact O-OG1 2.98Å; W724-L769 HydrophobicContact CE3-CD1 3.55Å; W724-L769 HydrophobicContact CH2-CD1 4.26Å; W724-L769 HydrophobicContact CZ3-CD1 3.2Å; W724-F772 HydrophobicContact CH2-CD1 4.22Å; W724-F772 HydrophobicContact CH2-CE1 4.03Å; W724-F772 HydrophobicContact CZ3-CD1 4.09Å; W724-F772 HydrophobicContact CZ3-CE1 4.11Å; W724-T830 HydrophobicContact CH2-CG2 4.2Å
725I67.5Low82.4Confident37 Ų3726 Ų2619%0.1914%0.14CC..  trans-99.3-23.7-179.9-56.9152.2000112.6W723 V755 L889 L905W723-I725 HydrophobicContact CB-CD1 4.17Å; W723-I725 HydrophobicContact CB-CG1 4.47Å; W723-I725 PolarHBondContact O-N 2.95Å; W723-I725 VanDerWaalsContact O-N 3.12Å; I725-V755 HydrophobicContact CG1-CG2 4.08Å; I725-L889 HydrophobicContact CD1-CD2 3.92Å; I725-L905 HydrophobicContact CD1-CD2 3.92Å
726L56.4Low82.4Confident19 Ų1918.4 Ų18.410%0.09911%0.106CC..SBendtrans-136.9169.1-173-60.7155000110.9W724 D728 G729 Y796 L800 N906W724-L726 PolarHBondContact NE1-O 2.86Å; L726-D728 PolarHBondContact O-N 3.17Å; L726-G729 PolarHBondContact O-N 3.31Å; L726-Y796 HydrophobicContact CD1-CD1 4.05Å; L726-Y796 HydrophobicContact CD1-CE1 3.56Å; L726-Y796 HydrophobicContact CD2-CD1 3.72Å; L726-Y796 HydrophobicContact CD2-CE1 3.5Å; L726-Y796 VanDerWaalsContact CD2-CE1 3.5Å; L726-Y796 HydrophobicContact CG-CE1 4.18Å; L726-L800 HydrophobicContact CD2-CD2 3.79Å; L726-N906 WeakPolarHBondContact CA-ND2 3.32Å; L726-N906 HydrophobicContact CB-CB 4.26Å; L726-N906 VanDerWaalsContact CB-ND2 3.31Å; L726-N906 WeakPolarHBondContact CB-ND2 3.3Å; L726-N906 HydrophobicContact CD1-CB 3.7Å; L726-N906 HydrophobicContact CG-CB 4.39Å; L726-N906 PolarHBondContact N-ND2 3.12Å; L726-N906 PolarHBondContact O-ND2 3.33Å
727H56.5Low82.2Confident65 Ų6521 Ų2130%0.30112%0.117SC..THydrogen-bonded Turntrans-51-23.1-175.5-75.4-73.7000117.1G729 I804H727-G729 PolarHBondContact O-N 2.95Å; H727-G729 VanDerWaalsContact O-N 3.11Å; H727-I804 WeakPolarHBondContact CD2-CD1 3.14Å; H727-I804 WeakPolarHBondContact NE2-CD1 3.49Å; H727-I804 WeakPolarHBondContact NE2-CG1 3.03Å
728D58.9Low82.1Confident22 Ų2216.9 Ų16.912%0.1189%0.092CC..THydrogen-bonded Turntrans-80.316.4-175.7-61.3-28.1000114.2L726 G730 I731 K937 G938L726-D728 PolarHBondContact O-N 3.17Å; D728-G730 PolarHBondContact O-N 2.95Å; D728-I731 HydrophobicContact CB-CG2 4.37Å; D728-I731 WeakPolarHBondContact O-CG2 3.36Å; D728-I731 PolarHBondContact O-N 2.98Å; D728-K937 IonicContact OD2-NZ 3.71Å; D728-G938 VanDerWaalsContact CG-N 3.28Å; D728-G938 PolarHBondContact OD2-N 2.82Å
729G67Low82.1Confident0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-56-33.3179.200000114.9L726 H727 I731 M732 I733L726-G729 PolarHBondContact O-N 3.31Å; H727-G729 PolarHBondContact O-N 2.95Å; H727-G729 VanDerWaalsContact O-N 3.11Å; G729-I731 PolarHBondContact O-N 2.99Å; G729-M732 PolarHBondContact O-N 3.38Å; G729-I733 WeakPolarHBondContact O-CG1 3.3Å; G729-I733 PolarHBondContact O-N 2.88Å; G729-I733 VanDerWaalsContact O-N 3.08Å
730G77.3Confident82Confident11 Ų1116.5 Ų16.511%0.1138%0.079CC..Hα-helixtrans-60.1-42.1-177.100000113.8D728 I733 L734D728-G730 PolarHBondContact O-N 2.95Å; G730-I733 PolarHBondContact O-N 3.12Å; G730-L734 WeakPolarHBondContact O-CB 3.47Å; G730-L734 PolarHBondContact O-N 3.16Å
731I84.2Confident81.8Confident2 Ų221.1 Ų21.11%0.0110%0.1CC..Hα-helixtrans-67.7-39.8177.7-173.7175.7000110.8W566 A699 D728 G729 I733 L734 L735 V936 E942W566-I731 HydrophobicContact CH2-CD1 4.35Å; A699-I731 HydrophobicContact CB-CD1 3.64Å; D728-I731 HydrophobicContact CB-CG2 4.37Å; D728-I731 WeakPolarHBondContact O-CG2 3.36Å; D728-I731 PolarHBondContact O-N 2.98Å; G729-I731 PolarHBondContact O-N 2.99Å; I731-I733 VanDerWaalsContact C-N 3.35Å; I731-I733 PolarHBondContact O-N 2.8Å; I731-L734 WeakPolarHBondContact O-CB 3.45Å; I731-L734 PolarHBondContact O-N 3Å; I731-L735 HydrophobicContact CG1-CD1 4.22Å; I731-L735 HydrophobicContact CG1-CG 4.16Å; I731-L735 VanDerWaalsContact O-CG 3.24Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 2.75Å; I731-V936 HydrophobicContact CD1-CG1 4.29Å; I731-V936 HydrophobicContact CG1-CG1 4.43Å; I731-V936 HydrophobicContact CG2-CG1 3.63Å; I731-E942 HydrophobicContact CB-CB 4.16Å; I731-E942 HydrophobicContact CD1-CB 4.32Å; I731-E942 HydrophobicContact CD1-CG 3.88Å; I731-E942 HydrophobicContact CG1-CB 4.31Å; I731-E942 HydrophobicContact CG1-CG 4.41Å
732M88.3Confident81.6Confident0 Ų022.8 Ų22.80%011%0.109CC..Hα-helixtrans-62.8-41178.5-64.7-169.5-67.600112.3V722 W723 G729 L734 L735 G736 F904 N906 V936V722-M732 HydrophobicContact CG1-CB 3.56Å; V722-M732 HydrophobicContact CG1-CE 3.89Å; V722-M732 HydrophobicContact CG1-SD 4.31Å; V722-M732 HydrophobicContact CG2-CB 4.46Å; W723-M732 WeakPolarHBondContact O-CE 3.14Å; G729-M732 PolarHBondContact O-N 3.38Å; M732-L734 VanDerWaalsContact C-N 3.35Å; M732-L735 PolarHBondContact O-N 3.13Å; M732-G736 PolarHBondContact O-N 3.12Å; M732-F904 HydrophobicContact CB-CB 4.15Å; M732-F904 HydrophobicContact CB-CG 4.47Å; M732-F904 HydrophobicContact CG-CB 4.22Å; M732-F904 HydrophobicContact SD-CB 3.86Å; M732-N906 VanDerWaalsContact CE-CG 3.48Å; M732-N906 WeakPolarHBondContact CE-OD1 3.39Å; M732-N906 PolarHBondContact SD-OD1 3.33Å; M732-N906 VanDerWaalsContact SD-OD1 3.34Å; M732-V936 HydrophobicContact CG-CB 3.78Å; M732-V936 HydrophobicContact CG-CG1 4.09Å; M732-V936 HydrophobicContact CG-CG2 3.99Å; M732-V936 HydrophobicContact SD-CB 4.33Å
733I87.1Confident81.5Confident0 Ų032.8 Ų32.80%015%0.147CC..Hα-helixtrans-62.8-44.6175-63168.3000110.1V722 W724 G729 G730 I731 L735 G736 F737 I752 I778V722-I733 HydrophobicContact CG1-CG1 4.27Å; W724-I733 HydrophobicContact CE3-CD1 4Å; W724-I733 HydrophobicContact CZ3-CD1 4.03Å; G729-I733 WeakPolarHBondContact O-CG1 3.3Å; G729-I733 PolarHBondContact O-N 2.88Å; G729-I733 VanDerWaalsContact O-N 3.08Å; G730-I733 PolarHBondContact O-N 3.12Å; I731-I733 VanDerWaalsContact C-N 3.35Å; I731-I733 PolarHBondContact O-N 2.8Å; I733-L735 PolarHBondContact O-N 2.78Å; I733-G736 PolarHBondContact O-N 2.93Å; I733-F737 WeakPolarHBondContact O-CB 3.14Å; I733-F737 PolarHBondContact O-N 2.92Å; I733-I752 HydrophobicContact CD1-CD1 3.78Å; I733-I752 HydrophobicContact CG1-CD1 3.81Å; I733-I752 HydrophobicContact CG1-CG1 4.48Å; I733-I752 HydrophobicContact CG2-CD1 4.48Å; I733-I778 HydrophobicContact CG2-CD1 3.65Å; I733-I778 HydrophobicContact CG2-CG2 4.25Å
734L85.7Confident81.7Confident30 Ų3032.9 Ų32.916%0.15715%0.147CC..Hα-helixtrans-61.3-42.6176.4178.660.8000111.9W566 G730 I731 M732 F737 L738W566-L734 HydrophobicContact CE3-CD2 3.85Å; W566-L734 HydrophobicContact CZ3-CD2 3.53Å; G730-L734 WeakPolarHBondContact O-CB 3.47Å; G730-L734 PolarHBondContact O-N 3.16Å; I731-L734 WeakPolarHBondContact O-CB 3.45Å; I731-L734 PolarHBondContact O-N 3Å; M732-L734 VanDerWaalsContact C-N 3.35Å; L734-F737 HydrophobicContact CD1-CD1 4.33Å; L734-F737 WeakPolarHBondContact O-CB 3.46Å; L734-F737 PolarHBondContact O-N 2.56Å; L734-L738 HydrophobicContact CD1-CD1 4.3Å; L734-L738 HydrophobicContact CD1-CG 4.22Å; L734-L738 HydrophobicContact CG-CD1 4.15Å; L734-L738 HydrophobicContact CG-CG 4.47Å; L734-L738 WeakPolarHBondContact O-CB 3.45Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.37Å; L734-L738 PolarHBondContact O-N 2.99Å
735L90Very high82.3Confident1 Ų131.7 Ų31.71%0.00514%0.143CC..Hα-helixtrans-63.2-45.6176.3-67176.5000111.3M595 I701 I731 M732 I733 F737 L738 L739 F904 V936M595-L735 HydrophobicContact SD-CD2 3.67Å; I701-L735 HydrophobicContact CD1-CD1 3.64Å; I701-L735 HydrophobicContact CD1-CD2 3.96Å; I701-L735 HydrophobicContact CD1-CG 4.47Å; I701-L735 HydrophobicContact CG1-CD1 4.17Å; I731-L735 HydrophobicContact CG1-CD1 4.22Å; I731-L735 HydrophobicContact CG1-CG 4.16Å; I731-L735 VanDerWaalsContact O-CG 3.24Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 2.75Å; M732-L735 PolarHBondContact O-N 3.13Å; I733-L735 PolarHBondContact O-N 2.78Å; L735-F737 VanDerWaalsContact C-N 3.3Å; L735-F737 PolarHBondContact O-N 2.66Å; L735-L738 PolarHBondContact O-N 3.48Å; L735-L739 WeakPolarHBondContact O-CG 3.43Å; L735-L739 PolarHBondContact O-N 2.89Å; L735-F904 HydrophobicContact CB-CE1 3.89Å; L735-F904 HydrophobicContact CB-CZ 3.79Å; L735-F904 HydrophobicContact CD1-CE1 3.96Å; L735-V936 HydrophobicContact CD1-CG1 4.15Å; L735-V936 HydrophobicContact CD1-CG2 3.91Å
736G91Very high83.4Confident0 Ų036.8 Ų36.80%016%0.163CC..Hα-helixtrans-59-40.8174.600000112.7M732 I733 R740M732-G736 PolarHBondContact O-N 3.12Å; I733-G736 PolarHBondContact O-N 2.93Å; G736-R740 WeakPolarHBondContact O-CG 3.41Å; G736-R740 PolarHBondContact O-N 3.42Å
737F88.9Confident85.1Confident65 Ų6540.8 Ų40.829%0.28519%0.185SC..Hα-helixtrans-64.1-47.5173.8171.2-105.9000112.6I733 L734 L735 L739 R740 Q741 I778I733-F737 WeakPolarHBondContact O-CB 3.14Å; I733-F737 PolarHBondContact O-N 2.92Å; L734-F737 HydrophobicContact CD1-CD1 4.33Å; L734-F737 WeakPolarHBondContact O-CB 3.46Å; L734-F737 PolarHBondContact O-N 2.56Å; L735-F737 VanDerWaalsContact C-N 3.3Å; L735-F737 PolarHBondContact O-N 2.66Å; F737-L739 VanDerWaalsContact C-N 3.34Å; F737-L739 PolarHBondContact O-N 3.27Å; F737-R740 PolarHBondContact O-N 2.74Å; F737-Q741 PolarHBondContact O-N 2.85Å; F737-I778 HydrophobicContact CB-CD1 4.1Å; F737-I778 HydrophobicContact CB-CG1 4.38Å; F737-I778 HydrophobicContact CB-CG2 4.12Å; F737-I778 HydrophobicContact CD2-CG1 4.07Å; F737-I778 HydrophobicContact CD2-CG2 4.13Å; F737-I778 HydrophobicContact CG-CD1 4.29Å; F737-I778 HydrophobicContact CG-CG1 4.2Å; F737-I778 HydrophobicContact CG-CG2 4.47Å
738L89.9Confident86.9Confident11 Ų1137.8 Ų37.86%0.05817%0.171CC..Hα-helixtrans-63.5-38.6179.4-71.9175.1000112.2P568 L734 L735 Q741P568-L738 HydrophobicContact CG-CD1 3.57Å; L734-L738 HydrophobicContact CD1-CD1 4.3Å; L734-L738 HydrophobicContact CD1-CG 4.22Å; L734-L738 HydrophobicContact CG-CD1 4.15Å; L734-L738 HydrophobicContact CG-CG 4.47Å; L734-L738 WeakPolarHBondContact O-CB 3.45Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.37Å; L734-L738 PolarHBondContact O-N 2.99Å; L735-L738 PolarHBondContact O-N 3.48Å; L738-Q741 WeakPolarHBondContact O-CB 3.4Å; L738-Q741 PolarHBondContact O-N 2.85Å
739L92.1Very high88.6Confident0 Ų042.9 Ų42.90%019%0.192CC..Hα-helixtrans-61.7-44.8174.6-73.9175.3000111.4F591 Q594 M595 I720 L735 F737 Q741 N742 W745 L902 F904F591-L739 HydrophobicContact CD2-CD2 4.32Å; F591-L739 HydrophobicContact CE2-CD1 3.76Å; F591-L739 HydrophobicContact CE2-CD2 3.91Å; F591-L739 HydrophobicContact CE2-CG 4.46Å; F591-L739 HydrophobicContact CZ-CD1 4.09Å; F591-L739 HydrophobicContact CZ-CD2 4.43Å; Q594-L739 HydrophobicContact CB-CD2 3.88Å; M595-L739 HydrophobicContact CG-CD2 3.63Å; M595-L739 HydrophobicContact CG-CG 4.16Å; I720-L739 HydrophobicContact CD1-CB 4.48Å; L735-L739 WeakPolarHBondContact O-CG 3.43Å; L735-L739 PolarHBondContact O-N 2.89Å; F737-L739 VanDerWaalsContact C-N 3.34Å; F737-L739 PolarHBondContact O-N 3.27Å; L739-Q741 PolarHBondContact O-N 2.95Å; L739-Q741 VanDerWaalsContact O-N 3.17Å; L739-N742 WeakPolarHBondContact O-CA 3.39Å; L739-N742 WeakPolarHBondContact O-CB 3.39Å; L739-N742 PolarHBondContact O-N 2.95Å; L739-W745 HydrophobicContact CB-CB 4.25Å; L739-W745 HydrophobicContact CB-CG 4.12Å; L739-W745 WeakPolarHBondContact O-CB 3.41Å; L739-L902 HydrophobicContact CD1-CD2 3.47Å; L739-L902 VanDerWaalsContact CD1-CD2 3.47Å; L739-F904 HydrophobicContact CD1-CE2 4.03Å; L739-F904 HydrophobicContact CD1-CZ 3.65Å
740R92.1Very high89.8Confident60 Ų6042.9 Ų42.923%0.22619%0.192CC..Hα-helixtrans-64.1-18.4178.5-73.6179.468.8-145.9-1114.2I720 G736 F737 N742 K746 T748 D779I720-R740 HydrophobicContact CD1-CG 4.04Å; G736-R740 WeakPolarHBondContact O-CG 3.41Å; G736-R740 PolarHBondContact O-N 3.42Å; F737-R740 PolarHBondContact O-N 2.74Å; R740-N742 VanDerWaalsContact C-N 3.26Å; R740-K746 WeakPolarHBondContact O-CA 3.43Å; R740-T748 PolarHBondContact NE-O 3.12Å; R740-D779 PolarHBondContact NH1-O 2.86Å
741Q89.5Confident90.6Very high97 Ų9744.4 Ų44.445%0.45320%0.195SC..THydrogen-bonded Turntrans-74.8-19170.5-65.1-174.22.200112.6A597 F737 L738 L739A597-Q741 HydrophobicContact CB-CB 3.44Å; A597-Q741 VanDerWaalsContact CB-CB 3.44Å; A597-Q741 HydrophobicContact CB-CG 4.34Å; F737-Q741 PolarHBondContact O-N 2.85Å; L738-Q741 WeakPolarHBondContact O-CB 3.4Å; L738-Q741 PolarHBondContact O-N 2.85Å; L739-Q741 PolarHBondContact O-N 2.95Å; L739-Q741 VanDerWaalsContact O-N 3.17Å
742N90.6Very high90.9Very high34 Ų3444.3 Ų44.318%0.18219%0.194CC..SBendtrans-81.4148.6175.9-164-74.3000111.8Q594 L739 R740 V744 W745 K746Q594-N742 WeakPolarHBondContact CA-ND2 3.1Å; Q594-N742 HydrophobicContact CB-CB 4.49Å; Q594-N742 VanDerWaalsContact O-CB 3.3Å; Q594-N742 WeakPolarHBondContact O-CB 3.03Å; Q594-N742 PolarHBondContact O-ND2 3.32Å; L739-N742 WeakPolarHBondContact O-CA 3.39Å; L739-N742 WeakPolarHBondContact O-CB 3.39Å; L739-N742 PolarHBondContact O-N 2.95Å; R740-N742 VanDerWaalsContact C-N 3.26Å; N742-V744 PolarHBondContact O-N 3.32Å; N742-V744 WeakPolarHBondContact OD1-CG2 3.45Å; N742-V744 PolarHBondContact OD1-N 2.9Å; N742-W745 PolarHBondContact O-N 2.89Å; N742-K746 WeakPolarHBondContact O-CB 3.43Å; N742-K746 PolarHBondContact O-N 3.25Å
743R90.4Very high90.9Very high211 Ų21144.4 Ų44.480%0.79620%0.195SC*.THydrogen-bonded Turntrans-58.8-28.7179.2-64.4-179.6179.1-179-1.4113.5
744V92Very high90.7Very high1 Ų144.8 Ų44.81%0.00620%0.197CC..THydrogen-bonded Turntrans-66.6-46.1179.7177.40000111.3Q594 P710 E714 I716 N742Q594-V744 HydrophobicContact CG-CB 4.42Å; Q594-V744 HydrophobicContact CG-CG2 4.09Å; P710-V744 HydrophobicContact CB-CG1 3.8Å; P710-V744 HydrophobicContact CG-CG1 3.59Å; E714-V744 WeakPolarHBondContact O-CA 3.37Å; E714-V744 WeakPolarHBondContact O-CG1 3.48Å; E714-V744 WeakPolarHBondContact O-CG2 3.13Å; I716-V744 PolarHBondContact N-O 3.45Å; N742-V744 PolarHBondContact O-N 3.32Å; N742-V744 WeakPolarHBondContact OD1-CG2 3.45Å; N742-V744 PolarHBondContact OD1-N 2.9Å
745W93.7Very high90.3Very high0 Ų044.6 Ų44.60%020%0.197CC..THydrogen-bonded Turntrans-107.44-172.4-56.290000114P710 I716 I720 L739 N742 N747 T748 Q901 L902P710-W745 HydrophobicContact CG-CH2 4.31Å; P710-W745 HydrophobicContact CG-CZ2 3.54Å; I716-W745 HydrophobicContact CB-CE3 4.29Å; I716-W745 HydrophobicContact CB-CZ3 4.4Å; I716-W745 HydrophobicContact CD1-CE3 4.25Å; I716-W745 HydrophobicContact CD1-CH2 3.55Å; I716-W745 HydrophobicContact CD1-CZ2 3.88Å; I716-W745 HydrophobicContact CD1-CZ3 3.75Å; I716-W745 HydrophobicContact CG2-CE3 4.18Å; I716-W745 HydrophobicContact CG2-CZ3 3.99Å; I720-W745 HydrophobicContact CD1-CB 4.32Å; I720-W745 HydrophobicContact CD1-CD2 4.39Å; I720-W745 HydrophobicContact CD1-CE3 3.88Å; I720-W745 HydrophobicContact CG1-CE3 4.02Å; I720-W745 HydrophobicContact CG1-CZ3 4.37Å; L739-W745 HydrophobicContact CB-CB 4.25Å; L739-W745 HydrophobicContact CB-CG 4.12Å; L739-W745 WeakPolarHBondContact O-CB 3.41Å; N742-W745 PolarHBondContact O-N 2.89Å; W745-N747 PolarHBondContact O-N 2.85Å; W745-N747 VanDerWaalsContact O-N 3.1Å; W745-T748 HydrophobicContact CE3-CG2 3.96Å; W745-T748 WeakPolarHBondContact O-CB 3.3Å; W745-T748 PolarHBondContact O-N 3.35Å; W745-T748 PolarHBondContact O-OG1 3.47Å; W745-Q901 HydrophobicContact CZ3-CB 4.22Å; W745-L902 HydrophobicContact CH2-CB 3.79Å; W745-L902 HydrophobicContact CH2-CD1 4.31Å; W745-L902 HydrophobicContact CH2-CD2 4.01Å; W745-L902 HydrophobicContact CH2-CG 4.28Å; W745-L902 HydrophobicContact CZ2-CD2 4.29Å; W745-L902 HydrophobicContact CZ3-CB 3.65Å; W745-L902 HydrophobicContact CZ3-CD2 4.15Å; W745-L902 HydrophobicContact CZ3-CG 4.46Å
746K91.2Very high89.4Confident143 Ų14344.6 Ų44.662%0.62220%0.197SC*.THydrogen-bonded Turntrans-53.5-35.3-175.4-172178.3179.3-175.80114.1R740 N742 T748R740-K746 WeakPolarHBondContact O-CA 3.43Å; N742-K746 WeakPolarHBondContact O-CB 3.43Å; N742-K746 PolarHBondContact O-N 3.25Å; K746-T748 VanDerWaalsContact C-N 3.29Å; K746-T748 PolarHBondContact O-N 3.06Å
747N92.1Very high88.3Confident103 Ų10345.4 Ų45.455%0.55120%0.201SC*.EExtended strand (participates in β ladder)trans-91.312.4-176.4-63.7-12.6000113.2T717 W745T717-N747 HydrophobicContact CG2-CB 3.78Å; W745-N747 PolarHBondContact O-N 2.85Å; W745-N747 VanDerWaalsContact O-N 3.1Å
748T93.5Very high87.3Confident2 Ų247.4 Ų47.41%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-93.4156.317665.30000112.3I716 G718 I720 R740 W745 K746I716-T748 HydrophobicContact CB-CG2 4.39Å; I716-T748 HydrophobicContact CG2-CG2 3.92Å; I716-T748 WeakPolarHBondContact O-CG2 3.49Å; G718-T748 CarbonylContact O-C 3.56Å; G718-T748 WeakPolarHBondContact O-CA 3.46Å; G718-T748 WeakPolarHBondContact O-CB 3.25Å; I720-T748 WeakPolarHBondContact CD1-OG1 3.46Å; I720-T748 HydrophobicContact CG1-CG2 4.46Å; R740-T748 PolarHBondContact NE-O 3.12Å; W745-T748 HydrophobicContact CE3-CG2 3.96Å; W745-T748 WeakPolarHBondContact O-CB 3.3Å; W745-T748 PolarHBondContact O-N 3.35Å; W745-T748 PolarHBondContact O-OG1 3.47Å; K746-T748 VanDerWaalsContact C-N 3.29Å; K746-T748 PolarHBondContact O-N 3.06Å
749K93.6Very high86.1Confident129 Ų12952.7 Ų52.756%0.56124%0.239SC*.EExtended strand (participates in β ladder)trans-105.9130.2176.5-67.1-179.8-178.1178.90109.7G718 N719 I720 A781G718-K749 PolarHBondContact O-N 3.15Å; N719-K749 CarbonylContact C-O 3.35Å; N719-K749 VanDerWaalsContact CA-O 3.3Å; N719-K749 WeakPolarHBondContact CA-O 3.04Å; I720-K749 PolarHBondContact N-O 3.09Å; K749-A781 HydrophobicContact CB-CB 3.79Å; K749-A781 HydrophobicContact CD-CB 4.25Å; K749-A781 HydrophobicContact CG-CB 4.27Å
750L92.7Very high84.9Confident0 Ų053.6 Ų53.60%024%0.244CC..EExtended strand (participates in β ladder)trans-84.6124.5176.6-173.662.7000109.5I720 V722 I778 V780 A781I720-L750 HydrophobicContact CB-CD1 4.08Å; I720-L750 HydrophobicContact CG2-CD1 3.78Å; I720-L750 CarbonylContact O-C 3.56Å; I720-L750 WeakPolarHBondContact O-CA 3.28Å; V722-L750 HydrophobicContact CG2-CD1 3.75Å; L750-I778 HydrophobicContact CD2-CG2 3.83Å; L750-V780 HydrophobicContact CD2-CG2 4.09Å; L750-V780 HydrophobicContact CG-CG2 4.45Å; L750-V780 CarbonylContact O-C 3.57Å; L750-V780 WeakPolarHBondContact O-CG1 3.41Å; L750-A781 PolarHBondContact O-N 2.95Å
751R93.9Very high84.1Confident44 Ų4455 Ų5517%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-119.1142.3174.4-52-168.5-65177.91.4109.5N719 I720 D721 V722 F753 F782 K896N719-R751 HydrophobicContact CB-CG 4.33Å; N719-R751 VanDerWaalsContact ND2-CZ 3.32Å; I720-R751 PolarHBondContact O-N 3.43Å; D721-R751 CarbonylContact C-O 3.44Å; D721-R751 WeakPolarHBondContact CA-O 3.41Å; D721-R751 WeakPolarHBondContact OD1-CB 3.39Å; D721-R751 IonicContact OD1-CZ 3.26Å; D721-R751 IonicContact OD1-NE 2.76Å; D721-R751 PolarHBondContact OD1-NE 3.43Å; D721-R751 IonicContact OD1-NH2 2.97Å; D721-R751 PolarHBondContact OD1-NH2 3.21Å; D721-R751 IonicContact OD2-CZ 2.92Å; D721-R751 IonicContact OD2-NE 3.46Å; D721-R751 IonicContact OD2-NH2 2.82Å; D721-R751 PolarHBondContact OD2-NH2 3.43Å; V722-R751 PolarHBondContact N-O 3.5Å; R751-F753 HydrophobicContact CB-CE2 3.73Å; R751-F753 HydrophobicContact CB-CZ 4.23Å; R751-F782 CarbonylContact C-O 3.52Å; R751-F782 WeakPolarHBondContact CA-O 3.28Å; R751-F782 HydrophobicContact CB-CB 4.2Å; R751-F782 HydrophobicContact CG-CB 3.95Å; R751-K896 PolarHBondContact NH2-O 3.32Å; R751-K896 VanDerWaalsContact NH2-O 3.12Å
752I90.1Very high83.4Confident0 Ų050.7 Ų50.70%024%0.237CC..EExtended strand (participates in β ladder)trans-119.9128.9-180-60.4173.3000108.9V722 W724 I733 L769 I773 V780 F782 V783 D784V722-I752 HydrophobicContact CB-CG1 4.29Å; V722-I752 WeakPolarHBondContact O-CA 3.41Å; W724-I752 HydrophobicContact CB-CG2 4.45Å; I733-I752 HydrophobicContact CD1-CD1 3.78Å; I733-I752 HydrophobicContact CG1-CD1 3.81Å; I733-I752 HydrophobicContact CG1-CG1 4.48Å; I733-I752 HydrophobicContact CG2-CD1 4.48Å; I752-L769 HydrophobicContact CG2-CD2 3.96Å; I752-I773 HydrophobicContact CD1-CD1 3.63Å; I752-I773 HydrophobicContact CD1-CG1 4.06Å; I752-V780 HydrophobicContact CB-CG1 4.39Å; I752-V780 HydrophobicContact CD1-CB 4.37Å; I752-V780 HydrophobicContact CD1-CG1 3.84Å; I752-V780 HydrophobicContact CD1-CG2 3.62Å; I752-V780 HydrophobicContact CG1-CG1 3.83Å; I752-V780 HydrophobicContact CG1-CG2 4.35Å; I752-F782 PolarHBondContact N-O 3.01Å; I752-V783 CarbonylContact O-C 3.55Å; I752-V783 WeakPolarHBondContact O-CA 3.4Å; I752-D784 PolarHBondContact O-N 3.44Å
753F88.7Confident82.7Confident1 Ų152.6 Ų52.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-118.3129.2176.5-62-87.8000108.3D721 V722 W723 W724 R751 F782 D784 V786 K896D721-F753 HydrophobicContact CB-CD2 4.2Å; D721-F753 HydrophobicContact CB-CE2 3.95Å; D721-F753 WeakPolarHBondContact OD2-CE2 3.16Å; V722-F753 PolarHBondContact O-N 2.91Å; W723-F753 CarbonylContact C-O 3.19Å; W723-F753 WeakPolarHBondContact CA-O 3.3Å; W723-F753 HydrophobicContact CD2-CB 3.76Å; W723-F753 HydrophobicContact CD2-CG 4.41Å; W723-F753 AromaticContact CE2-CG 3.95Å; W723-F753 HydrophobicContact CE3-CB 4.01Å; W723-F753 HydrophobicContact CG-CB 4.21Å; W723-F753 HydrophobicContact CH2-CB 4.36Å; W723-F753 HydrophobicContact CZ2-CB 4.09Å; W723-F753 HydrophobicContact CZ2-CD1 4.32Å; W723-F753 HydrophobicContact CZ2-CG 4.05Å; W723-F753 HydrophobicContact CZ3-CB 4.32Å; W723-F753 AromaticContact NE1-CD2 3.84Å; W724-F753 PolarHBondContact N-O 2.95Å; R751-F753 HydrophobicContact CB-CE2 3.73Å; R751-F753 HydrophobicContact CB-CZ 4.23Å; F753-F782 HydrophobicContact CE1-CD1 4.29Å; F753-F782 HydrophobicContact CE1-CE1 4.03Å; F753-F782 HydrophobicContact CZ-CD1 4.2Å; F753-F782 HydrophobicContact CZ-CE1 4.33Å; F753-D784 WeakPolarHBondContact CA-O 3.35Å; F753-D784 HydrophobicContact CD1-CB 3.79Å; F753-D784 HydrophobicContact CE1-CB 3.94Å; F753-V786 HydrophobicContact CD1-CG2 4.44Å; F753-K896 HydrophobicContact CE1-CB 4.05Å; F753-K896 HydrophobicContact CE1-CD 4.43Å; F753-K896 HydrophobicContact CE1-CG 4.49Å; F753-K896 HydrophobicContact CZ-CB 4.45Å
754T83.7Confident82Confident8 Ų848.7 Ų48.75%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-123.4153.8171.6-168.40000109.8W724 I765 L769 D784 V785 V786W724-T754 WeakPolarHBondContact O-CA 3.47Å; W724-T754 PolarHBondContact O-OG1 2.98Å; T754-I765 HydrophobicContact CG2-CG2 4Å; T754-L769 HydrophobicContact CG2-CD2 4.14Å; T754-D784 PolarHBondContact N-O 2.72Å; T754-V785 HydrophobicContact CG2-CB 4.24Å; T754-V785 HydrophobicContact CG2-CG1 4.19Å; T754-V785 HydrophobicContact CG2-CG2 3.73Å; T754-V785 CarbonylContact O-C 3.6Å; T754-V785 WeakPolarHBondContact O-CA 3.46Å; T754-V786 PolarHBondContact O-N 3.08Å
755V76.8Confident81.1Confident26 Ų2649.2 Ų49.216%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-104.3127.4-177.5176.10000108.5W723 I725 V786 L788 L889W723-V755 HydrophobicContact CE3-CG2 4.45Å; W723-V755 HydrophobicContact CZ3-CG2 4.3Å; I725-V755 HydrophobicContact CG1-CG2 4.08Å; V755-V786 WeakPolarHBondContact CA-O 3.39Å; V755-L788 HydrophobicContact CG1-CB 4.26Å; V755-L788 HydrophobicContact CG1-CD1 3.52Å; V755-L788 HydrophobicContact CG1-CG 3.96Å; V755-L788 HydrophobicContact CG2-CD1 4.39Å; V755-L889 HydrophobicContact CG2-CD1 4.09Å
756A71.2Confident80.5Confident1 Ų152.6 Ų52.61%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-123.3157.217500000110.6D760 I765 V785 V786 E787 L788A756-D760 HydrophobicContact CB-CB 4.32Å; A756-I765 HydrophobicContact CB-CD1 3.78Å; A756-V785 HydrophobicContact CB-CG1 3.41Å; A756-V785 VanDerWaalsContact CB-CG1 3.41Å; A756-V786 PolarHBondContact N-O 2.93Å; A756-E787 WeakPolarHBondContact O-CA 3.45Å; A756-L788 PolarHBondContact O-N 3.12Å
757H68Low80Confident18 Ų1852.6 Ų52.68%0.08326%0.259CS..EExtended strand (participates in β ladder)trans-76.8153.4170.6-167.3-99.8000110.3D759 D760 E790 I793 V833H757-D759 IonicContact CE1-OD2 2.71Å; H757-D759 PolarHBondContact CE1-OD2 3.49Å; H757-D759 WeakPolarHBondContact ND1-CB 3.34Å; H757-D759 PolarHBondContact ND1-N 3.03Å; H757-D759 VanDerWaalsContact ND1-N 3.16Å; H757-D759 IonicContact ND1-OD2 2.83Å; H757-D759 PolarHBondContact ND1-OD2 2.85Å; H757-D759 PolarHBondContact O-N 3.32Å; H757-D759 VanDerWaalsContact O-N 3.12Å; H757-D760 WeakPolarHBondContact CB-OD2 3.37Å; H757-D760 PolarHBondContact N-OD2 3.07Å; H757-D760 WeakPolarHBondContact O-CB 3.41Å; H757-D760 PolarHBondContact O-N 3.09Å; H757-E790 VanDerWaalsContact NE2-CA 3.26Å; H757-E790 WeakPolarHBondContact NE2-CA 3.44Å; H757-E790 WeakPolarHBondContact NE2-CB 3.41Å; H757-E790 WeakPolarHBondContact NE2-CG 3.5Å; H757-E790 PolarHBondContact NE2-N 3.47Å; H757-I793 HydrophobicContact CB-CD1 3.75Å; H757-V833 HydrophobicContact CB-CG1 3.78Å
758H67Low79.3Confident107 Ų10748.5 Ų48.550%0.49524%0.239SC..THydrogen-bonded Turntrans-57.3-25.5174.7-82.6-57.3000113.9D760 E787 L788H758-D760 VanDerWaalsContact C-N 3.34Å; H758-E787 IonicContact CE1-OE2 3.13Å; H758-E787 IonicContact ND1-OE2 3.3Å; H758-E787 PolarHBondContact ND1-OE2 3.41Å; H758-E787 VanDerWaalsContact ND1-OE2 3.12Å; H758-L788 PolarHBondContact N-O 3.08Å
759D65.5Low78.7Confident121 Ų12148.4 Ų48.465%0.64724%0.238SC*.THydrogen-bonded Turntrans-83.3-11.4177.5-62.6-28000113.3H757H757-D759 IonicContact CE1-OD2 2.71Å; H757-D759 PolarHBondContact CE1-OD2 3.49Å; H757-D759 WeakPolarHBondContact ND1-CB 3.34Å; H757-D759 PolarHBondContact ND1-N 3.03Å; H757-D759 VanDerWaalsContact ND1-N 3.16Å; H757-D759 IonicContact ND1-OD2 2.83Å; H757-D759 PolarHBondContact ND1-OD2 2.85Å; H757-D759 PolarHBondContact O-N 3.32Å; H757-D759 VanDerWaalsContact O-N 3.12Å
760D66.4Low78.2Confident20 Ų2048 Ų4811%0.10724%0.237CC..SBendtrans-84.8147179.5-60.2-41.9000110.5A756 H757 H758 A762 I765 Y832 V833 S834A756-D760 HydrophobicContact CB-CB 4.32Å; H757-D760 WeakPolarHBondContact CB-OD2 3.37Å; H757-D760 PolarHBondContact N-OD2 3.07Å; H757-D760 WeakPolarHBondContact O-CB 3.41Å; H757-D760 PolarHBondContact O-N 3.09Å; H758-D760 VanDerWaalsContact C-N 3.34Å; D760-A762 VanDerWaalsContact C-N 3.33Å; D760-A762 PolarHBondContact O-N 3.26Å; D760-I765 HydrophobicContact CB-CD1 4Å; D760-Y832 VanDerWaalsContact CG-O 3.27Å; D760-V833 WeakPolarHBondContact OD1-CA 3.27Å; D760-V833 VanDerWaalsContact OD2-CA 3.3Å; D760-V833 WeakPolarHBondContact OD2-CA 3.24Å; D760-V833 WeakPolarHBondContact OD2-CG2 3.34Å; D760-S834 PolarHBondContact OD1-N 3.03Å
761D75Confident77.7Confident90 Ų9053.7 Ų53.748%0.48126%0.261SS..  trans-7588.9174.5-173.3-11.8000110.1S763 K764 I765D761-S763 PolarHBondContact O-N 3.31Å; D761-S763 VanDerWaalsContact O-N 3.13Å; D761-S763 WeakPolarHBondContact OD1-CB 3.31Å; D761-S763 PolarHBondContact OD1-N 3.49Å; D761-S763 PolarHBondContact OD1-OG 2.87Å; D761-K764 HydrophobicContact CB-CB 3.97Å; D761-K764 PolarHBondContact O-N 2.96Å; D761-K764 VanDerWaalsContact O-N 3.1Å; D761-K764 PolarHBondContact OD1-N 2.8Å; D761-I765 PolarHBondContact O-N 2.82Å; D761-I765 VanDerWaalsContact O-N 3.09Å
762A74.9Confident77Confident6 Ų652.5 Ų52.55%0.0526%0.257CS..Hα-helixtrans-56-28.5178.100000112.6D760 R766 V785 E787D760-A762 VanDerWaalsContact C-N 3.33Å; D760-A762 PolarHBondContact O-N 3.26Å; A762-R766 VanDerWaalsContact O-CB 3.26Å; A762-R766 WeakPolarHBondContact O-CB 3.29Å; A762-R766 PolarHBondContact O-N 2.77Å; A762-V785 HydrophobicContact CB-CB 4.21Å; A762-V785 HydrophobicContact CB-CG1 3.85Å; A762-E787 HydrophobicContact CB-CG 4.19Å; A762-E787 VanDerWaalsContact CB-OE1 3.32Å; A762-E787 WeakPolarHBondContact CB-OE1 3.42Å
763S76.5Confident76.6Confident73 Ų7353.1 Ų53.151%0.5126%0.26SS..Hα-helixtrans-70.1-43.7177.877.20000111.6D761 R766 E767D761-S763 PolarHBondContact O-N 3.31Å; D761-S763 VanDerWaalsContact O-N 3.13Å; D761-S763 WeakPolarHBondContact OD1-CB 3.31Å; D761-S763 PolarHBondContact OD1-N 3.49Å; D761-S763 PolarHBondContact OD1-OG 2.87Å; S763-R766 PolarHBondContact O-N 2.94Å; S763-E767 PolarHBondContact O-N 3.38Å
764K75.7Confident76.2Confident130 Ų13061.6 Ų61.657%0.56529%0.293SS*.Hα-helixtrans-65.1-41.9176-172.1177.3-178.6178.70112.6D761 R766 E767 S768D761-K764 HydrophobicContact CB-CB 3.97Å; D761-K764 PolarHBondContact O-N 2.96Å; D761-K764 VanDerWaalsContact O-N 3.1Å; D761-K764 PolarHBondContact OD1-N 2.8Å; K764-R766 VanDerWaalsContact C-N 3.35Å; K764-E767 PolarHBondContact O-N 3.47Å; K764-S768 WeakPolarHBondContact O-CB 3.39Å; K764-S768 PolarHBondContact O-N 2.98Å
765I73.7Confident76Confident12 Ų1266.7 Ų66.76%0.06231%0.313CS..Hα-helixtrans-62-45.6176.2-65.1170.9000110.1T754 A756 D760 D761 E767 S768 L769 V785T754-I765 HydrophobicContact CG2-CG2 4Å; A756-I765 HydrophobicContact CB-CD1 3.78Å; D760-I765 HydrophobicContact CB-CD1 4Å; D761-I765 PolarHBondContact O-N 2.82Å; D761-I765 VanDerWaalsContact O-N 3.09Å; I765-E767 VanDerWaalsContact C-N 3.33Å; I765-E767 PolarHBondContact O-N 2.88Å; I765-S768 PolarHBondContact O-N 3.42Å; I765-L769 WeakPolarHBondContact O-CB 3.46Å; I765-L769 PolarHBondContact O-N 3.44Å; I765-V785 HydrophobicContact CB-CG2 4.46Å; I765-V785 HydrophobicContact CG2-CG2 4.18Å
766R80.9Confident76.2Confident70 Ų7067.1 Ų67.126%0.26431%0.314SS..Hα-helixtrans-60.1-42.2177.6-171.2-178.8-73.8110.8-6.6111.9A762 S763 K764 K770 V783 D784 V785A762-R766 VanDerWaalsContact O-CB 3.26Å; A762-R766 WeakPolarHBondContact O-CB 3.29Å; A762-R766 PolarHBondContact O-N 2.77Å; S763-R766 PolarHBondContact O-N 2.94Å; K764-R766 VanDerWaalsContact C-N 3.35Å; R766-K770 WeakPolarHBondContact O-CB 3.36Å; R766-K770 WeakPolarHBondContact O-CG 3.36Å; R766-K770 PolarHBondContact O-N 3.36Å; R766-V783 HydrophobicContact CG-CG1 4.41Å; R766-D784 IonicContact NH2-OD1 3.36Å; R766-D784 PolarHBondContact NH2-OD1 2.94Å; R766-V785 HydrophobicContact CB-CG2 3.79Å; R766-V785 HydrophobicContact CG-CG2 4.44Å
767E80.5Confident76.7Confident143 Ų14377.5 Ų77.567%0.66835%0.353SS*.Hα-helixtrans-68.4-44178.5-170.1172.5-165.700112.3S763 K764 I765 L769 K770 K771S763-E767 PolarHBondContact O-N 3.38Å; K764-E767 PolarHBondContact O-N 3.47Å; I765-E767 VanDerWaalsContact C-N 3.33Å; I765-E767 PolarHBondContact O-N 2.88Å; E767-L769 VanDerWaalsContact C-N 3.3Å; E767-L769 PolarHBondContact O-N 3.32Å; E767-K770 PolarHBondContact O-N 3.11Å; E767-K771 WeakPolarHBondContact O-CB 3.47Å; E767-K771 PolarHBondContact O-N 2.9Å
768S77.9Confident77.4Confident17 Ų1777.4 Ų77.412%0.11935%0.353CS..Hα-helixtrans-57.9-44.1174.5-172.70000111.4K764 I765 K771 F772 S829K764-S768 WeakPolarHBondContact O-CB 3.39Å; K764-S768 PolarHBondContact O-N 2.98Å; I765-S768 PolarHBondContact O-N 3.42Å; S768-K771 WeakPolarHBondContact O-CB 3.36Å; S768-K771 PolarHBondContact O-N 2.9Å; S768-F772 WeakPolarHBondContact O-CB 3.45Å; S768-F772 PolarHBondContact O-N 3.35Å; S768-S829 PolarHBondContact OG-OG 2.98Å
769L80.2Confident78.1Confident1 Ų178.4 Ų78.41%0.00536%0.362CS..Hα-helixtrans-66.8-42.5178.4-175.854.8000112.2W724 I752 T754 I765 E767 K771 F772 I773 V783W724-L769 HydrophobicContact CE3-CD1 3.55Å; W724-L769 HydrophobicContact CH2-CD1 4.26Å; W724-L769 HydrophobicContact CZ3-CD1 3.2Å; I752-L769 HydrophobicContact CG2-CD2 3.96Å; T754-L769 HydrophobicContact CG2-CD2 4.14Å; I765-L769 WeakPolarHBondContact O-CB 3.46Å; I765-L769 PolarHBondContact O-N 3.44Å; E767-L769 VanDerWaalsContact C-N 3.3Å; E767-L769 PolarHBondContact O-N 3.32Å; L769-K771 VanDerWaalsContact C-N 3.32Å; L769-K771 PolarHBondContact O-N 3.44Å; L769-F772 PolarHBondContact O-N 3.11Å; L769-I773 HydrophobicContact CD1-CD1 4.21Å; L769-I773 HydrophobicContact CD1-CG1 4.46Å; L769-I773 HydrophobicContact CG-CD1 4.02Å; L769-I773 WeakPolarHBondContact O-CD1 3.33Å; L769-I773 VanDerWaalsContact O-CG1 3.25Å; L769-I773 WeakPolarHBondContact O-CG1 3.3Å; L769-I773 PolarHBondContact O-N 2.82Å; L769-V783 HydrophobicContact CB-CG1 4.23Å; L769-V783 HydrophobicContact CD2-CG1 3.37Å; L769-V783 HydrophobicContact CG-CG1 3.74Å
770K83.8Confident79Confident121 Ų12174.1 Ų74.153%0.52634%0.34SS..Hα-helixtrans-59.6-42.7172.6-78.3178.4177.9-1780111.8R766 E767 I773 Y774 V783R766-K770 WeakPolarHBondContact O-CB 3.36Å; R766-K770 WeakPolarHBondContact O-CG 3.36Å; R766-K770 PolarHBondContact O-N 3.36Å; E767-K770 PolarHBondContact O-N 3.11Å; K770-I773 PolarHBondContact O-N 2.81Å; K770-Y774 WeakPolarHBondContact O-CB 3.45Å; K770-Y774 PolarHBondContact O-N 2.8Å; K770-V783 HydrophobicContact CG-CB 4.49Å; K770-V783 HydrophobicContact CG-CG2 4.44Å
771K81.6Confident79.7Confident118 Ų11876.2 Ų76.251%0.51336%0.36SS..Hα-helixtrans-62.9-43176.5-170.9179.6-175.1-177.90111.3E767 S768 L769 Y774 Y775E767-K771 WeakPolarHBondContact O-CB 3.47Å; E767-K771 PolarHBondContact O-N 2.9Å; S768-K771 WeakPolarHBondContact O-CB 3.36Å; S768-K771 PolarHBondContact O-N 2.9Å; L769-K771 VanDerWaalsContact C-N 3.32Å; L769-K771 PolarHBondContact O-N 3.44Å; K771-Y774 WeakPolarHBondContact O-CB 3.43Å; K771-Y774 PolarHBondContact O-N 3.02Å; K771-Y775 HydrophobicContact CD-CE2 4.21Å; K771-Y775 HydrophobicContact CG-CD2 4.14Å; K771-Y775 HydrophobicContact CG-CE2 3.59Å; K771-Y775 WeakPolarHBondContact O-CD2 3.24Å; K771-Y775 PolarHBondContact O-N 3.4Å; K771-Y775 VanDerWaalsContact O-N 3.15Å
772F78.9Confident80.2Confident19 Ų1976.4 Ų76.48%0.08336%0.357CS..Hα-helixtrans-61-47.6175.3-179.5-108.7000112.3W724 S768 L769 Y774 Y775 L776 I946W724-F772 HydrophobicContact CH2-CD1 4.22Å; W724-F772 HydrophobicContact CH2-CE1 4.03Å; W724-F772 HydrophobicContact CZ3-CD1 4.09Å; W724-F772 HydrophobicContact CZ3-CE1 4.11Å; S768-F772 WeakPolarHBondContact O-CB 3.45Å; S768-F772 PolarHBondContact O-N 3.35Å; L769-F772 PolarHBondContact O-N 3.11Å; F772-Y774 VanDerWaalsContact C-N 3.34Å; F772-Y774 PolarHBondContact O-N 2.88Å; F772-Y775 PolarHBondContact O-N 3.23Å; F772-L776 HydrophobicContact CD1-CD1 3.87Å; F772-L776 HydrophobicContact CD1-CG 4.48Å; F772-L776 HydrophobicContact CE1-CD1 3.36Å; F772-L776 HydrophobicContact CE1-CG 4.16Å; F772-L776 HydrophobicContact CZ-CD1 3.72Å; F772-L776 HydrophobicContact CZ-CD2 4.37Å; F772-L776 HydrophobicContact CZ-CG 4.17Å; F772-L776 PolarHBondContact O-N 3.43Å; F772-I946 HydrophobicContact CD2-CD1 4.02Å; F772-I946 HydrophobicContact CE2-CD1 4.14Å
773I82.3Confident80.7Confident13 Ų1376.8 Ų76.87%0.06736%0.359CS..Hα-helixtrans-62.1-41.7177.4-67.9159000111.5I752 L769 K770 Y775 L776 R777 I778 V780 V783I752-I773 HydrophobicContact CD1-CD1 3.63Å; I752-I773 HydrophobicContact CD1-CG1 4.06Å; L769-I773 HydrophobicContact CD1-CD1 4.21Å; L769-I773 HydrophobicContact CD1-CG1 4.46Å; L769-I773 HydrophobicContact CG-CD1 4.02Å; L769-I773 WeakPolarHBondContact O-CD1 3.33Å; L769-I773 VanDerWaalsContact O-CG1 3.25Å; L769-I773 WeakPolarHBondContact O-CG1 3.3Å; L769-I773 PolarHBondContact O-N 2.82Å; K770-I773 PolarHBondContact O-N 2.81Å; I773-Y775 VanDerWaalsContact C-N 3.29Å; I773-Y775 PolarHBondContact O-N 3.1Å; I773-L776 PolarHBondContact O-N 2.9Å; I773-L776 VanDerWaalsContact O-N 3.14Å; I773-R777 PolarHBondContact O-N 2.83Å; I773-I778 WeakPolarHBondContact CG2-O 3.5Å; I773-V780 HydrophobicContact CD1-CB 4.29Å; I773-V780 HydrophobicContact CD1-CG1 4.37Å; I773-V780 HydrophobicContact CD1-CG2 4.08Å; I773-V780 HydrophobicContact CG1-CG2 4.2Å; I773-V780 HydrophobicContact CG2-CB 3.93Å; I773-V780 HydrophobicContact CG2-CG2 3.49Å; I773-V780 VanDerWaalsContact CG2-CG2 3.49Å; I773-V783 HydrophobicContact CD1-CG2 3.4Å
774Y80.8Confident81.1Confident179 Ų17974.2 Ų74.270%0.70234%0.339SS*.Hα-helixtrans-55.4-45.8175.1175.3-95.1000111.3K770 K771 F772 R777K770-Y774 WeakPolarHBondContact O-CB 3.45Å; K770-Y774 PolarHBondContact O-N 2.8Å; K771-Y774 WeakPolarHBondContact O-CB 3.43Å; K771-Y774 PolarHBondContact O-N 3.02Å; F772-Y774 VanDerWaalsContact C-N 3.34Å; F772-Y774 PolarHBondContact O-N 2.88Å; Y774-R777 PolarHBondContact O-N 3.02Å
775Y79.2Confident81.4Confident115 Ų11568.3 Ų68.345%0.45131%0.314SS..Hα-helixtrans-69.2-32.3176.8-70.4-57.4000113.8K771 F772 I773 R777 I946K771-Y775 HydrophobicContact CD-CE2 4.21Å; K771-Y775 HydrophobicContact CG-CD2 4.14Å; K771-Y775 HydrophobicContact CG-CE2 3.59Å; K771-Y775 WeakPolarHBondContact O-CD2 3.24Å; K771-Y775 PolarHBondContact O-N 3.4Å; K771-Y775 VanDerWaalsContact O-N 3.15Å; F772-Y775 PolarHBondContact O-N 3.23Å; I773-Y775 VanDerWaalsContact C-N 3.29Å; I773-Y775 PolarHBondContact O-N 3.1Å; Y775-R777 PolarHBondContact O-N 3.45Å; Y775-I946 HydrophobicContact CD2-CD1 4.24Å; Y775-I946 HydrophobicContact CG-CD1 4.16Å
776L79.5Confident81.8Confident35 Ų3568.6 Ų68.618%0.18332%0.316CS..Hα-helixtrans-69.2-17.5173-70.7-179.4000113.1F772 I773 I778 V944F772-L776 HydrophobicContact CD1-CD1 3.87Å; F772-L776 HydrophobicContact CD1-CG 4.48Å; F772-L776 HydrophobicContact CE1-CD1 3.36Å; F772-L776 HydrophobicContact CE1-CG 4.16Å; F772-L776 HydrophobicContact CZ-CD1 3.72Å; F772-L776 HydrophobicContact CZ-CD2 4.37Å; F772-L776 HydrophobicContact CZ-CG 4.17Å; F772-L776 PolarHBondContact O-N 3.43Å; I773-L776 PolarHBondContact O-N 2.9Å; I773-L776 VanDerWaalsContact O-N 3.14Å; L776-I778 HydrophobicContact CB-CD1 4.08Å; L776-I778 HydrophobicContact CB-CG1 4.1Å; L776-I778 HydrophobicContact CD1-CD1 4.31Å; L776-I778 PolarHBondContact O-N 2.97Å; L776-V944 HydrophobicContact CD2-CB 3.98Å; L776-V944 HydrophobicContact CD2-CG1 4.33Å
777R81.7Confident81.5Confident219 Ų21969.4 Ų69.483%0.82632%0.323SS*.THydrogen-bonded Turntrans56.337.9-175.3-55.1-177.8178.8-174.3-1112.9I773 Y774 Y775I773-R777 PolarHBondContact O-N 2.83Å; Y774-R777 PolarHBondContact O-N 3.02Å; Y775-R777 PolarHBondContact O-N 3.45Å
778I83Confident81Confident17 Ų1763.6 Ų63.69%0.08730%0.297CS..  trans-104121.8176.4-63.8174.9000108I733 F737 L750 I773 L776 V780I733-I778 HydrophobicContact CG2-CD1 3.65Å; I733-I778 HydrophobicContact CG2-CG2 4.25Å; F737-I778 HydrophobicContact CB-CD1 4.1Å; F737-I778 HydrophobicContact CB-CG1 4.38Å; F737-I778 HydrophobicContact CB-CG2 4.12Å; F737-I778 HydrophobicContact CD2-CG1 4.07Å; F737-I778 HydrophobicContact CD2-CG2 4.13Å; F737-I778 HydrophobicContact CG-CD1 4.29Å; F737-I778 HydrophobicContact CG-CG1 4.2Å; F737-I778 HydrophobicContact CG-CG2 4.47Å; L750-I778 HydrophobicContact CD2-CG2 3.83Å; I773-I778 WeakPolarHBondContact CG2-O 3.5Å; L776-I778 HydrophobicContact CB-CD1 4.08Å; L776-I778 HydrophobicContact CB-CG1 4.1Å; L776-I778 HydrophobicContact CD1-CD1 4.31Å; L776-I778 PolarHBondContact O-N 2.97Å; I778-V780 HydrophobicContact CG2-CG2 4.14Å; I778-V780 PolarHBondContact O-N 2.87Å
779D82.2Confident80.5Confident128 Ų12864.4 Ų64.468%0.68430%0.302SS*.  trans-70.696178.4-67.9-27.7000110.6R740R740-D779 PolarHBondContact NH1-O 2.86Å
780V84.4Confident79.2Confident30 Ų3070.4 Ų70.418%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-97.4123.2173.9-179.40000108.2L750 I752 I773 I778 F782 V783L750-V780 HydrophobicContact CD2-CG2 4.09Å; L750-V780 HydrophobicContact CG-CG2 4.45Å; L750-V780 CarbonylContact O-C 3.57Å; L750-V780 WeakPolarHBondContact O-CG1 3.41Å; I752-V780 HydrophobicContact CB-CG1 4.39Å; I752-V780 HydrophobicContact CD1-CB 4.37Å; I752-V780 HydrophobicContact CD1-CG1 3.84Å; I752-V780 HydrophobicContact CD1-CG2 3.62Å; I752-V780 HydrophobicContact CG1-CG1 3.83Å; I752-V780 HydrophobicContact CG1-CG2 4.35Å; I773-V780 HydrophobicContact CD1-CB 4.29Å; I773-V780 HydrophobicContact CD1-CG1 4.37Å; I773-V780 HydrophobicContact CD1-CG2 4.08Å; I773-V780 HydrophobicContact CG1-CG2 4.2Å; I773-V780 HydrophobicContact CG2-CB 3.93Å; I773-V780 HydrophobicContact CG2-CG2 3.49Å; I773-V780 VanDerWaalsContact CG2-CG2 3.49Å; I778-V780 HydrophobicContact CG2-CG2 4.14Å; I778-V780 PolarHBondContact O-N 2.87Å; V780-F782 VanDerWaalsContact C-N 3.33Å; V780-F782 VanDerWaalsContact CG1-O 3.25Å; V780-F782 WeakPolarHBondContact CG1-O 3.36Å; V780-V783 HydrophobicContact CG1-CG2 3.86Å
781A81.7Confident77.9Confident65 Ų6573.4 Ų73.454%0.53734%0.339SS..EExtended strand (participates in β ladder)trans-72.1-29.5-177.700000112.6K749 L750K749-A781 HydrophobicContact CB-CB 3.79Å; K749-A781 HydrophobicContact CD-CB 4.25Å; K749-A781 HydrophobicContact CG-CB 4.27Å; L750-A781 PolarHBondContact O-N 2.95Å
782F84.4Confident76.6Confident94 Ų9469 Ų6941%0.41232%0.321SS..EExtended strand (participates in β ladder)trans-156.6137.1-173.2-173.1-116.9000111.7R751 I752 F753 V780 D784R751-F782 CarbonylContact C-O 3.52Å; R751-F782 WeakPolarHBondContact CA-O 3.28Å; R751-F782 HydrophobicContact CB-CB 4.2Å; R751-F782 HydrophobicContact CG-CB 3.95Å; I752-F782 PolarHBondContact N-O 3.01Å; F753-F782 HydrophobicContact CE1-CD1 4.29Å; F753-F782 HydrophobicContact CE1-CE1 4.03Å; F753-F782 HydrophobicContact CZ-CD1 4.2Å; F753-F782 HydrophobicContact CZ-CE1 4.33Å; V780-F782 VanDerWaalsContact C-N 3.33Å; V780-F782 VanDerWaalsContact CG1-O 3.25Å; V780-F782 WeakPolarHBondContact CG1-O 3.36Å; F782-D784 HydrophobicContact CD1-CB 4.27Å; F782-D784 HydrophobicContact CE1-CB 3.5Å; F782-D784 VanDerWaalsContact CE1-CB 3.5Å; F782-D784 HydrophobicContact CZ-CB 3.83Å
783V85.3Confident75.4Confident14 Ų1468.8 Ų68.89%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-127.6118175.1179.50000108I752 R766 L769 K770 I773 V780I752-V783 CarbonylContact O-C 3.55Å; I752-V783 WeakPolarHBondContact O-CA 3.4Å; R766-V783 HydrophobicContact CG-CG1 4.41Å; L769-V783 HydrophobicContact CB-CG1 4.23Å; L769-V783 HydrophobicContact CD2-CG1 3.37Å; L769-V783 HydrophobicContact CG-CG1 3.74Å; K770-V783 HydrophobicContact CG-CB 4.49Å; K770-V783 HydrophobicContact CG-CG2 4.44Å; I773-V783 HydrophobicContact CD1-CG2 3.4Å; V780-V783 HydrophobicContact CG1-CG2 3.86Å
784D85.3Confident74Confident18 Ų1868.8 Ų68.810%0.09632%0.322CS..EExtended strand (participates in β ladder)trans-123.7150.2178-15613.6000112.2I752 F753 T754 R766 F782 K896I752-D784 PolarHBondContact O-N 3.44Å; F753-D784 WeakPolarHBondContact CA-O 3.35Å; F753-D784 HydrophobicContact CD1-CB 3.79Å; F753-D784 HydrophobicContact CE1-CB 3.94Å; T754-D784 PolarHBondContact N-O 2.72Å; R766-D784 IonicContact NH2-OD1 3.36Å; R766-D784 PolarHBondContact NH2-OD1 2.94Å; F782-D784 HydrophobicContact CD1-CB 4.27Å; F782-D784 HydrophobicContact CE1-CB 3.5Å; F782-D784 VanDerWaalsContact CE1-CB 3.5Å; F782-D784 HydrophobicContact CZ-CB 3.83Å; D784-K896 IonicContact OD2-NZ 3.63Å; D784-K896 PolarHBondContact OD2-NZ 2.93Å
785V82.2Confident72.6Confident7 Ų763.1 Ų63.14%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-117114.1175.8-177.60000106.1T754 A756 A762 I765 R766T754-V785 HydrophobicContact CG2-CB 4.24Å; T754-V785 HydrophobicContact CG2-CG1 4.19Å; T754-V785 HydrophobicContact CG2-CG2 3.73Å; T754-V785 CarbonylContact O-C 3.6Å; T754-V785 WeakPolarHBondContact O-CA 3.46Å; A756-V785 HydrophobicContact CB-CG1 3.41Å; A756-V785 VanDerWaalsContact CB-CG1 3.41Å; A762-V785 HydrophobicContact CB-CB 4.21Å; A762-V785 HydrophobicContact CB-CG1 3.85Å; I765-V785 HydrophobicContact CB-CG2 4.46Å; I765-V785 HydrophobicContact CG2-CG2 4.18Å; R766-V785 HydrophobicContact CB-CG2 3.79Å; R766-V785 HydrophobicContact CG-CG2 4.44Å
786V81.3Confident71.1Confident17 Ų1759 Ų5910%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-91.4112.4178.7-177.50000107.7W723 F753 T754 V755 A756 L788 A892W723-V786 HydrophobicContact CH2-CG2 3.99Å; W723-V786 HydrophobicContact CZ3-CG2 4.2Å; F753-V786 HydrophobicContact CD1-CG2 4.44Å; T754-V786 PolarHBondContact O-N 3.08Å; V755-V786 WeakPolarHBondContact CA-O 3.39Å; A756-V786 PolarHBondContact N-O 2.93Å; V786-L788 HydrophobicContact CG1-CD2 4.32Å; V786-L788 HydrophobicContact CG1-CG 4.42Å; V786-A892 HydrophobicContact CG1-CB 4.42Å
787E75.3Confident69.8Low88 Ų8857.9 Ų57.941%0.41128%0.282SS..EExtended strand (participates in β ladder)trans-78.4125.1175-65175.5-161.100109.7A756 H758 A762A756-E787 WeakPolarHBondContact O-CA 3.45Å; H758-E787 IonicContact CE1-OE2 3.13Å; H758-E787 IonicContact ND1-OE2 3.3Å; H758-E787 PolarHBondContact ND1-OE2 3.41Å; H758-E787 VanDerWaalsContact ND1-OE2 3.12Å; A762-E787 HydrophobicContact CB-CG 4.19Å; A762-E787 VanDerWaalsContact CB-OE1 3.32Å; A762-E787 WeakPolarHBondContact CB-OE1 3.42Å
788L71Confident68.3Low21 Ų2151.1 Ų51.111%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-120.1149174.5-67.9-179.5000110V755 A756 H758 V786 D792 I793 L889V755-L788 HydrophobicContact CG1-CB 4.26Å; V755-L788 HydrophobicContact CG1-CD1 3.52Å; V755-L788 HydrophobicContact CG1-CG 3.96Å; V755-L788 HydrophobicContact CG2-CD1 4.39Å; A756-L788 PolarHBondContact O-N 3.12Å; H758-L788 PolarHBondContact N-O 3.08Å; V786-L788 HydrophobicContact CG1-CD2 4.32Å; V786-L788 HydrophobicContact CG1-CG 4.42Å; L788-D792 HydrophobicContact CB-CB 4.18Å; L788-I793 HydrophobicContact CB-CG1 4.08Å; L788-L889 HydrophobicContact CD1-CD1 4.07Å
789S66.1Low66.8Low33 Ų3353.4 Ų53.423%0.23127%0.27CS..  trans-71.9159.3176.680.40000112.6Y791 D792 I793S789-Y791 PolarHBondContact O-N 3.3Å; S789-D792 PolarHBondContact O-N 2.86Å; S789-D792 PolarHBondContact OG-OD2 3.13Å; S789-I793 PolarHBondContact O-N 2.65Å
790E54.1Low65.2Low128 Ų12849.1 Ų49.160%0.59825%0.246SC*.THydrogen-bonded Turntrans-53-30.5179.1-153.5175.3-170.900112.6H757 D792H757-E790 VanDerWaalsContact NE2-CA 3.26Å; H757-E790 WeakPolarHBondContact NE2-CA 3.44Å; H757-E790 WeakPolarHBondContact NE2-CB 3.41Å; H757-E790 WeakPolarHBondContact NE2-CG 3.5Å; H757-E790 PolarHBondContact NE2-N 3.47Å; E790-D792 VanDerWaalsContact C-N 3.31Å; E790-D792 PolarHBondContact O-N 3.3Å
791Y55.1Low63.7Low184 Ų18448.8 Ų48.872%0.72224%0.244SC*.THydrogen-bonded Turntrans-73.2-20.7177.1-76.7-83.9000113.8S789 R885S789-Y791 PolarHBondContact O-N 3.3Å; Y791-R885 PolarHBondContact O-NE 2.88Å
792D54.1Low62.3Low25 Ų2549.9 Ų49.913%0.13424%0.241CC..THydrogen-bonded Turntrans-108.1-22.3-165.9-57-24.1000113.4L788 S789 E790 S794 K888L788-D792 HydrophobicContact CB-CB 4.18Å; S789-D792 PolarHBondContact O-N 2.86Å; S789-D792 PolarHBondContact OG-OD2 3.13Å; E790-D792 VanDerWaalsContact C-N 3.31Å; E790-D792 PolarHBondContact O-N 3.3Å; D792-S794 PolarHBondContact O-N 3.21Å; D792-K888 HydrophobicContact CB-CD 4.17Å; D792-K888 VanDerWaalsContact CG-CD 3.5Å; D792-K888 WeakPolarHBondContact OD1-CD 3.41Å; D792-K888 VanDerWaalsContact OD1-CE 3.32Å; D792-K888 WeakPolarHBondContact OD1-CE 3.01Å; D792-K888 IonicContact OD1-NZ 3.12Å; D792-K888 PolarHBondContact OD1-NZ 3.06Å; D792-K888 IonicContact OD2-NZ 2.69Å
793I54.3Low60.9Low14 Ų1450.6 Ų50.67%0.07224%0.244CC..SBendtrans-63.6126172.5-57.6-173.9000108.4H757 L788 S789 E795 A797 V833 R885H757-I793 HydrophobicContact CB-CD1 3.75Å; L788-I793 HydrophobicContact CB-CG1 4.08Å; S789-I793 PolarHBondContact O-N 2.65Å; I793-E795 PolarHBondContact O-N 2.82Å; I793-E795 VanDerWaalsContact O-N 3.11Å; I793-A797 HydrophobicContact CG2-CB 4.03Å; I793-V833 HydrophobicContact CD1-CG1 4.46Å; I793-R885 PolarHBondContact O-NH1 3.43Å
794S52.6Low59.3Low14 Ų1451.7 Ų51.710%0.09825%0.249CC..  trans-46.6123171.7176.30000109.4D792 Y796 A797 H798 Y922D792-S794 PolarHBondContact O-N 3.21Å; S794-Y796 PolarHBondContact O-N 2.92Å; S794-Y796 VanDerWaalsContact O-N 3.08Å; S794-Y796 WeakPolarHBondContact OG-CB 3.13Å; S794-Y796 PolarHBondContact OG-N 3.46Å; S794-A797 WeakPolarHBondContact O-CA 3.49Å; S794-A797 WeakPolarHBondContact O-CB 3.19Å; S794-A797 PolarHBondContact O-N 3.41Å; S794-H798 PolarHBondContact O-N 3.05Å; S794-H798 VanDerWaalsContact O-N 3.11Å; S794-Y922 PolarHBondContact OG-OH 3.16Å; S794-Y922 VanDerWaalsContact OG-OH 3.14Å
795E51.2Low57.9Low59 Ų5952.9 Ų52.928%0.27626%0.255SS..Hα-helixtrans-59.2-24.1177.7-148.6178.8-170.700111.1I793 H798 E799 Y878 R885I793-E795 PolarHBondContact O-N 2.82Å; I793-E795 VanDerWaalsContact O-N 3.11Å; E795-H798 PolarHBondContact O-N 2.91Å; E795-E799 VanDerWaalsContact O-CB 3.28Å; E795-E799 WeakPolarHBondContact O-CB 3.26Å; E795-E799 PolarHBondContact O-N 3.29Å; E795-Y878 WeakPolarHBondContact OE2-CE2 2.93Å; E795-Y878 PolarHBondContact OE2-OH 3.41Å; E795-R885 VanDerWaalsContact CB-NH1 3.31Å
796Y47.9Very low56.8Low30 Ų3058.5 Ų58.512%0.11828%0.281CS..Hα-helixtrans-64.9-42.3171.4-179.4-94.1000112.3L726 S794 H798 L800 P908 E909L726-Y796 HydrophobicContact CD1-CD1 4.05Å; L726-Y796 HydrophobicContact CD1-CE1 3.56Å; L726-Y796 HydrophobicContact CD2-CD1 3.72Å; L726-Y796 HydrophobicContact CD2-CE1 3.5Å; L726-Y796 VanDerWaalsContact CD2-CE1 3.5Å; L726-Y796 HydrophobicContact CG-CE1 4.18Å; S794-Y796 PolarHBondContact O-N 2.92Å; S794-Y796 VanDerWaalsContact O-N 3.08Å; S794-Y796 WeakPolarHBondContact OG-CB 3.13Å; S794-Y796 PolarHBondContact OG-N 3.46Å; Y796-H798 VanDerWaalsContact C-N 3.32Å; Y796-L800 VanDerWaalsContact O-CB 3.29Å; Y796-L800 WeakPolarHBondContact O-CB 3.36Å; Y796-L800 PolarHBondContact O-N 3.19Å; Y796-P908 HydrophobicContact CD1-CB 4.11Å; Y796-P908 HydrophobicContact CE1-CB 3.95Å; Y796-P908 HydrophobicContact CG-CB 4.49Å; Y796-E909 HydrophobicContact CE2-CB 4.18Å; Y796-E909 WeakPolarHBondContact OH-CG 3.42Å; Y796-E909 PolarHBondContact OH-N 2.77Å
797A51.7Low55.4Low11 Ų1165.9 Ų65.99%0.09131%0.307CS..Hα-helixtrans-62.4-43.8172.900000110.1I793 S794 T801I793-A797 HydrophobicContact CG2-CB 4.03Å; S794-A797 WeakPolarHBondContact O-CA 3.49Å; S794-A797 WeakPolarHBondContact O-CB 3.19Å; S794-A797 PolarHBondContact O-N 3.41Å; A797-T801 WeakPolarHBondContact O-CB 3.48Å; A797-T801 PolarHBondContact O-N 3.35Å; A797-T801 PolarHBondContact O-OG1 2.73Å
798H52.1Low54.3Low76 Ų7663.3 Ų63.335%0.35230%0.297SS..Hα-helixtrans-64-48177.8-167.172.8000113.3S794 E795 Y796 L800 T801 L802S794-H798 PolarHBondContact O-N 3.05Å; S794-H798 VanDerWaalsContact O-N 3.11Å; E795-H798 PolarHBondContact O-N 2.91Å; Y796-H798 VanDerWaalsContact C-N 3.32Å; H798-L800 VanDerWaalsContact C-N 3.34Å; H798-L800 PolarHBondContact O-N 2.93Å; H798-T801 PolarHBondContact O-N 3.43Å; H798-L802 VanDerWaalsContact O-CG 3.31Å; H798-L802 WeakPolarHBondContact O-CG 3.42Å; H798-L802 PolarHBondContact O-N 3.31Å
799E50.6Low53.9Low66 Ų6666.4 Ų66.431%0.30831%0.31SS..Hα-helixtrans-61.9-40.9178.7-168.9-165.4153.300111.5E795 L802 K803 R911E795-E799 VanDerWaalsContact O-CB 3.28Å; E795-E799 WeakPolarHBondContact O-CB 3.26Å; E795-E799 PolarHBondContact O-N 3.29Å; E799-L802 PolarHBondContact O-N 2.79Å; E799-K803 PolarHBondContact O-N 3.48Å; E799-K803 VanDerWaalsContact O-N 3.07Å; E799-K803 WeakPolarHBondContact OE1-CE 3.42Å; E799-K803 IonicContact OE1-NZ 2.93Å; E799-K803 PolarHBondContact OE1-NZ 2.96Å; E799-R911 IonicContact OE2-CZ 3.56Å; E799-R911 IonicContact OE2-NH2 2.61Å; E799-R911 PolarHBondContact OE2-NH2 3.42Å
800L48.7Very low53.6Low38 Ų3870.6 Ų70.620%0.19933%0.327CS..Hα-helixtrans-69.9-46.2177.8-154.178.3000110.7L726 Y796 H798 L802 K803 I804L726-L800 HydrophobicContact CD2-CD2 3.79Å; Y796-L800 VanDerWaalsContact O-CB 3.29Å; Y796-L800 WeakPolarHBondContact O-CB 3.36Å; Y796-L800 PolarHBondContact O-N 3.19Å; H798-L800 VanDerWaalsContact C-N 3.34Å; H798-L800 PolarHBondContact O-N 2.93Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 2.75Å; L800-K803 PolarHBondContact O-N 2.92Å; L800-K803 VanDerWaalsContact O-N 3.09Å; L800-I804 HydrophobicContact CD2-CD1 4.39Å; L800-I804 HydrophobicContact CG-CD1 3.85Å; L800-I804 WeakPolarHBondContact O-CD1 3.47Å; L800-I804 PolarHBondContact O-N 3.17Å
801T52.5Low53.6Low22 Ų2266.6 Ų66.614%0.13531%0.31CS..Hα-helixtrans-54.1-44.3173.8-62.60000110.9A797 H798 K803 I804 D805 A831 V833A797-T801 WeakPolarHBondContact O-CB 3.48Å; A797-T801 PolarHBondContact O-N 3.35Å; A797-T801 PolarHBondContact O-OG1 2.73Å; H798-T801 PolarHBondContact O-N 3.43Å; T801-K803 PolarHBondContact O-N 2.93Å; T801-I804 PolarHBondContact O-N 2.92Å; T801-D805 WeakPolarHBondContact O-CB 3.26Å; T801-D805 PolarHBondContact O-N 3.43Å; T801-A831 WeakPolarHBondContact CG2-O 3.42Å; T801-V833 HydrophobicContact CG2-CB 4.4Å
802L53Low53.8Low88 Ų8860.8 Ų60.846%0.46130%0.295SS..Hα-helixtrans-59.7-45.7174.8-74.6170.5000113.4H798 E799 L800 I804 D805 Q806H798-L802 VanDerWaalsContact O-CG 3.31Å; H798-L802 WeakPolarHBondContact O-CG 3.42Å; H798-L802 PolarHBondContact O-N 3.31Å; E799-L802 PolarHBondContact O-N 2.79Å; L800-L802 VanDerWaalsContact C-N 3.26Å; L800-L802 PolarHBondContact O-N 2.75Å; L802-I804 VanDerWaalsContact C-N 3.31Å; L802-I804 PolarHBondContact O-N 3.42Å; L802-D805 PolarHBondContact O-N 3.33Å; L802-Q806 WeakPolarHBondContact O-CG 3.28Å; L802-Q806 PolarHBondContact O-N 2.81Å
803K53.9Low54.5Low109 Ų10967.1 Ų67.147%0.47432%0.324SS..Hα-helixtrans-62.3-38.2176.7-76.5175.1-175.2159.90111.9E799 L800 T801 R807E799-K803 PolarHBondContact O-N 3.48Å; E799-K803 VanDerWaalsContact O-N 3.07Å; E799-K803 WeakPolarHBondContact OE1-CE 3.42Å; E799-K803 IonicContact OE1-NZ 2.93Å; E799-K803 PolarHBondContact OE1-NZ 2.96Å; L800-K803 PolarHBondContact O-N 2.92Å; L800-K803 VanDerWaalsContact O-N 3.09Å; T801-K803 PolarHBondContact O-N 2.93Å; K803-R807 WeakPolarHBondContact O-CB 3.23Å; K803-R807 PolarHBondContact O-N 3.21Å
804I51.8Low54.8Low38 Ų3872.9 Ų72.920%0.19535%0.354CS..Hα-helixtrans-67.7-43.6173.1-80.494.5000110.8H727 L800 T801 L802 Q806 R807 T808H727-I804 WeakPolarHBondContact CD2-CD1 3.14Å; H727-I804 WeakPolarHBondContact NE2-CD1 3.49Å; H727-I804 WeakPolarHBondContact NE2-CG1 3.03Å; L800-I804 HydrophobicContact CD2-CD1 4.39Å; L800-I804 HydrophobicContact CG-CD1 3.85Å; L800-I804 WeakPolarHBondContact O-CD1 3.47Å; L800-I804 PolarHBondContact O-N 3.17Å; T801-I804 PolarHBondContact O-N 2.92Å; L802-I804 VanDerWaalsContact C-N 3.31Å; L802-I804 PolarHBondContact O-N 3.42Å; I804-Q806 PolarHBondContact O-N 3.13Å; I804-R807 CarbonylContact O-C 3.5Å; I804-R807 WeakPolarHBondContact O-CA 3.48Å; I804-R807 WeakPolarHBondContact O-CB 3.47Å; I804-R807 PolarHBondContact O-N 3.03Å; I804-T808 WeakPolarHBondContact O-CB 3.44Å; I804-T808 PolarHBondContact O-N 3.24Å; I804-T808 PolarHBondContact O-OG1 3.09Å
805D56.5Low55Low42 Ų4275.1 Ų75.123%0.22538%0.38CS..Hα-helixtrans-62.2-36.3-178.4-144.650.6000111.4T801 L802 K809T801-D805 WeakPolarHBondContact O-CB 3.26Å; T801-D805 PolarHBondContact O-N 3.43Å; L802-D805 PolarHBondContact O-N 3.33Å; D805-K809 WeakPolarHBondContact O-CB 3.23Å; D805-K809 VanDerWaalsContact O-CG 3.26Å; D805-K809 WeakPolarHBondContact O-CG 3.28Å; D805-K809 PolarHBondContact O-N 3.1Å; D805-K809 IonicContact OD2-NZ 2.86Å; D805-K809 PolarHBondContact OD2-NZ 2.93Å
806Q58Low55.2Low126 Ų12674.3 Ų74.359%0.58938%0.377SS*.Hα-helixtrans-63.9-45.8168.6-72.8176-13.300112.2L802 I804 K809 M810L802-Q806 WeakPolarHBondContact O-CG 3.28Å; L802-Q806 PolarHBondContact O-N 2.81Å; I804-Q806 PolarHBondContact O-N 3.13Å; Q806-K809 PolarHBondContact O-N 3.46Å; Q806-M810 PolarHBondContact O-N 3.43Å
807R51.8Low55.4Low171 Ų17177 Ų7765%0.64540%0.397SS*.Hα-helixtrans-63.6-43.8177.9-173.6-178178.2178.7-1112K803 I804 M810 L811K803-R807 WeakPolarHBondContact O-CB 3.23Å; K803-R807 PolarHBondContact O-N 3.21Å; I804-R807 CarbonylContact O-C 3.5Å; I804-R807 WeakPolarHBondContact O-CA 3.48Å; I804-R807 WeakPolarHBondContact O-CB 3.47Å; I804-R807 PolarHBondContact O-N 3.03Å; R807-M810 WeakPolarHBondContact O-CB 3.43Å; R807-M810 PolarHBondContact O-N 2.86Å; R807-L811 HydrophobicContact CG-CD1 3.87Å; R807-L811 HydrophobicContact CG-CG 4.41Å; R807-L811 WeakPolarHBondContact O-CB 3.38Å; R807-L811 VanDerWaalsContact O-CG 3.23Å; R807-L811 WeakPolarHBondContact O-CG 3.46Å; R807-L811 PolarHBondContact O-N 2.98Å
808T53.1Low55.4Low34 Ų3484.6 Ų84.621%0.20943%0.43CS..Hα-helixtrans-65.8-40.4178.3-55.60000110.5I804 L811 C812I804-T808 WeakPolarHBondContact O-CB 3.44Å; I804-T808 PolarHBondContact O-N 3.24Å; I804-T808 PolarHBondContact O-OG1 3.09Å; T808-L811 PolarHBondContact O-N 3.38Å; T808-C812 WeakPolarHBondContact O-CB 3.32Å; T808-C812 PolarHBondContact O-N 3.46Å; T808-C812 PolarHBondContact O-SG 2.76Å; T808-C812 VanDerWaalsContact O-SG 3.37Å
809K62.1Low55.3Low86 Ų8689.6 Ų89.637%0.37445%0.451SS..Hα-helixtrans-60.1-48.7171.2-77.8168.4-174.81380111.8D805 Q806 L811 C812 E813D805-K809 WeakPolarHBondContact O-CB 3.23Å; D805-K809 VanDerWaalsContact O-CG 3.26Å; D805-K809 WeakPolarHBondContact O-CG 3.28Å; D805-K809 PolarHBondContact O-N 3.1Å; D805-K809 IonicContact OD2-NZ 2.86Å; D805-K809 PolarHBondContact OD2-NZ 2.93Å; Q806-K809 PolarHBondContact O-N 3.46Å; K809-L811 VanDerWaalsContact C-N 3.3Å; K809-L811 PolarHBondContact O-N 2.76Å; K809-C812 PolarHBondContact O-N 2.91Å; K809-E813 WeakPolarHBondContact O-CG 3.42Å; K809-E813 PolarHBondContact O-N 3.1Å
810M60.6Low55.2Low121 Ų12190.8 Ų90.860%0.59646%0.457SS*.Hα-helixtrans-56.9-42.2173.8-105.8-166.9-117.900112.5Q806 R807 E813 L814Q806-M810 PolarHBondContact O-N 3.43Å; R807-M810 WeakPolarHBondContact O-CB 3.43Å; R807-M810 PolarHBondContact O-N 2.86Å; M810-E813 WeakPolarHBondContact O-CB 3.41Å; M810-E813 PolarHBondContact O-N 3.25Å; M810-L814 WeakPolarHBondContact O-CG 3.28Å; M810-L814 PolarHBondContact O-N 3.01Å; M810-L814 VanDerWaalsContact O-N 3.14Å
811L54.7Low55.2Low44 Ų4493.1 Ų93.123%0.2347%0.465CS..Hα-helixtrans-70.7-36.5179.9-74.4167.7000112.3R807 T808 K809 E813 L814 L816R807-L811 HydrophobicContact CG-CD1 3.87Å; R807-L811 HydrophobicContact CG-CG 4.41Å; R807-L811 WeakPolarHBondContact O-CB 3.38Å; R807-L811 VanDerWaalsContact O-CG 3.23Å; R807-L811 WeakPolarHBondContact O-CG 3.46Å; R807-L811 PolarHBondContact O-N 2.98Å; T808-L811 PolarHBondContact O-N 3.38Å; K809-L811 VanDerWaalsContact C-N 3.3Å; K809-L811 PolarHBondContact O-N 2.76Å; L811-E813 VanDerWaalsContact C-N 3.31Å; L811-L814 HydrophobicContact CD2-CD1 4.47Å; L811-L814 PolarHBondContact O-N 2.71Å; L811-L816 HydrophobicContact CB-CD1 3.97Å
812C58.4Low54.9Low63 Ų6398.9 Ų98.943%0.42649%0.49SS..Hα-helixtrans-63.5-37.1171.2-78.50000111.9T808 K809 L814 G815T808-C812 WeakPolarHBondContact O-CB 3.32Å; T808-C812 PolarHBondContact O-N 3.46Å; T808-C812 PolarHBondContact O-SG 2.76Å; T808-C812 VanDerWaalsContact O-SG 3.37Å; K809-C812 PolarHBondContact O-N 2.91Å; C812-L814 VanDerWaalsContact C-N 3.27Å; C812-L814 PolarHBondContact O-N 2.83Å; C812-G815 PolarHBondContact O-N 3.2Å
813E67.8Low54.5Low158 Ų15897.2 Ų97.274%0.73848%0.481SS*.Hα-helixtrans-66.5-27.2173.8-73.5171.3-175.400112.6K809 M810 L811 G815K809-E813 WeakPolarHBondContact O-CG 3.42Å; K809-E813 PolarHBondContact O-N 3.1Å; M810-E813 WeakPolarHBondContact O-CB 3.41Å; M810-E813 PolarHBondContact O-N 3.25Å; L811-E813 VanDerWaalsContact C-N 3.31Å; E813-G815 VanDerWaalsContact C-N 3.27Å; E813-G815 PolarHBondContact O-N 3.19Å
814L62.7Low54.3Low135 Ų13594.7 Ų94.771%0.70747%0.471SS*.THydrogen-bonded Turntrans-81.47.7179.1-72.1167.5000114.9M810 L811 C812M810-L814 WeakPolarHBondContact O-CG 3.28Å; M810-L814 PolarHBondContact O-N 3.01Å; M810-L814 VanDerWaalsContact O-N 3.14Å; L811-L814 HydrophobicContact CD2-CD1 4.47Å; L811-L814 PolarHBondContact O-N 2.71Å; C812-L814 VanDerWaalsContact C-N 3.27Å; C812-L814 PolarHBondContact O-N 2.83Å
815G56.2Low54Low61 Ų6196.8 Ų96.863%0.62948%0.482SS*.THydrogen-bonded Turntrans73.641.5166.600000115.9C812 E813C812-G815 PolarHBondContact O-N 3.2Å; E813-G815 VanDerWaalsContact C-N 3.27Å; E813-G815 PolarHBondContact O-N 3.19Å
816L54.1Low53.5Low42 Ų4296.8 Ų96.822%0.2248%0.484CS..  trans-63.9149.3175.9-67.9169.2000113.2L811 E820 K821L811-L816 HydrophobicContact CB-CD1 3.97Å; L816-E820 HydrophobicContact CB-CB 4.18Å; L816-E820 WeakPolarHBondContact CD2-OE2 3.28Å; L816-K821 WeakPolarHBondContact O-CE 3.33Å
817T53.3Low52.9Low87 Ų8794.4 Ų94.453%0.53448%0.475SS..  trans-67.7153.9179.456.70000112.1K819 E820 K821T817-K819 PolarHBondContact O-N 3.34Å; T817-K819 VanDerWaalsContact O-N 3.12Å; T817-E820 PolarHBondContact N-OE2 2.77Å; T817-E820 WeakPolarHBondContact O-CB 3.26Å; T817-E820 PolarHBondContact O-N 3.38Å; T817-E820 VanDerWaalsContact OG1-CD 3.26Å; T817-E820 WeakPolarHBondContact OG1-CG 3.5Å; T817-E820 PolarHBondContact OG1-OE2 3.08Å; T817-K821 PolarHBondContact O-N 3.13Å; T817-K821 VanDerWaalsContact O-N 3.13Å
818E51Low52.6Low170 Ų17087 Ų8779%0.79445%0.451SS*.Hα-helixtrans-55.1-33.8-174.4-72-174.4153.600114K821 E822E818-K821 PolarHBondContact O-N 3.04Å; E818-E822 PolarHBondContact O-N 3.37Å; E818-E822 VanDerWaalsContact O-N 3.15Å
819K49.7Very low52Low180 Ų18086.2 Ų86.278%0.78345%0.447SS*.Hα-helixtrans-69.8-33.8176-80-173.6174.1179.60113.7T817T817-K819 PolarHBondContact O-N 3.34Å; T817-K819 VanDerWaalsContact O-N 3.12Å
820E50.3Low51Low92 Ų9283.4 Ų83.443%0.4344%0.437SS..Hα-helixtrans-72.1-34.9175.9-67.6168.6137.900110.6L816 T817 Q824L816-E820 HydrophobicContact CB-CB 4.18Å; L816-E820 WeakPolarHBondContact CD2-OE2 3.28Å; T817-E820 PolarHBondContact N-OE2 2.77Å; T817-E820 WeakPolarHBondContact O-CB 3.26Å; T817-E820 PolarHBondContact O-N 3.38Å; T817-E820 VanDerWaalsContact OG1-CD 3.26Å; T817-E820 WeakPolarHBondContact OG1-CG 3.5Å; T817-E820 PolarHBondContact OG1-OE2 3.08Å; E820-Q824 WeakPolarHBondContact O-CB 3.37Å; E820-Q824 PolarHBondContact O-N 2.77Å
821K47.7Very low50.2Low86 Ų8678.6 Ų78.637%0.37442%0.416SS..Hα-helixtrans-64.3-49.9175.5-74.1179.7177.5171.10113L816 T817 E818 M823 Q824 D825L816-K821 WeakPolarHBondContact O-CE 3.33Å; T817-K821 PolarHBondContact O-N 3.13Å; T817-K821 VanDerWaalsContact O-N 3.13Å; E818-K821 PolarHBondContact O-N 3.04Å; K821-M823 VanDerWaalsContact C-N 3.25Å; K821-M823 PolarHBondContact O-N 3.08Å; K821-Q824 PolarHBondContact O-N 3.41Å; K821-D825 WeakPolarHBondContact O-CB 3.33Å; K821-D825 PolarHBondContact O-N 2.95Å
822E47.3Very low49.3Very low143 Ų14379.8 Ų79.867%0.66842%0.418SS*.Hα-helixtrans-58-37.4178.6-82.1-169.5149.200112.5E818 D825 V826E818-E822 PolarHBondContact O-N 3.37Å; E818-E822 VanDerWaalsContact O-N 3.15Å; E822-D825 PolarHBondContact O-N 3.04Å; E822-V826 WeakPolarHBondContact O-CG2 3.45Å; E822-V826 PolarHBondContact O-N 2.94Å
823M44.5Very low48.3Very low54 Ų5478 Ų7827%0.26641%0.406SS..Hα-helixtrans-76.4-41.7179.9-176.463.374.300112.6K821 D825 V826 I827 I946 F947K821-M823 VanDerWaalsContact C-N 3.25Å; K821-M823 PolarHBondContact O-N 3.08Å; M823-D825 PolarHBondContact O-N 3.11Å; M823-V826 PolarHBondContact O-N 3.14Å; M823-V826 VanDerWaalsContact O-N 3.14Å; M823-I827 HydrophobicContact CG-CD1 4.14Å; M823-I827 WeakPolarHBondContact O-CG1 3.29Å; M823-I827 PolarHBondContact O-N 3.22Å; M823-I827 HydrophobicContact SD-CD1 4.41Å; M823-I946 HydrophobicContact CE-CB 4.43Å; M823-F947 HydrophobicContact CE-CD2 3.51Å; M823-F947 HydrophobicContact CE-CE2 4.06Å
824Q48.6Very low46.6Very low55 Ų5573.2 Ų73.226%0.25739%0.389SS..Hα-helixtrans-62.3-31.6170.2-93.4173.3-11.900111.7E820 K821 G828E820-Q824 WeakPolarHBondContact O-CB 3.37Å; E820-Q824 PolarHBondContact O-N 2.77Å; K821-Q824 PolarHBondContact O-N 3.41Å; Q824-G828 WeakPolarHBondContact O-CA 3.5Å; Q824-G828 PolarHBondContact O-N 3.27Å
825D45.1Very low45.3Very low82 Ų8273 Ų7344%0.43938%0.383SS..Hα-helixtrans-70.6-33.6172.2-85.2-25.4000111.9K821 E822 M823 S829K821-D825 WeakPolarHBondContact O-CB 3.33Å; K821-D825 PolarHBondContact O-N 2.95Å; E822-D825 PolarHBondContact O-N 3.04Å; M823-D825 PolarHBondContact O-N 3.11Å; D825-S829 WeakPolarHBondContact O-CA 3.45Å; D825-S829 WeakPolarHBondContact O-CB 3.44Å; D825-S829 PolarHBondContact O-N 2.82Å; D825-S829 PolarHBondContact O-OG 3.25Å; D825-S829 VanDerWaalsContact O-OG 3.08Å
826V47.3Very low44Very low43 Ų4379 Ų7926%0.26139%0.392SS..Hα-helixtrans-69.2-51.3173.2172.70000111.1E822 M823 G828 S829 T830E822-V826 WeakPolarHBondContact O-CG2 3.45Å; E822-V826 PolarHBondContact O-N 2.94Å; M823-V826 PolarHBondContact O-N 3.14Å; M823-V826 VanDerWaalsContact O-N 3.14Å; V826-G828 VanDerWaalsContact C-N 3.29Å; V826-G828 PolarHBondContact O-N 2.85Å; V826-S829 WeakPolarHBondContact CA-OG 3.4Å; V826-S829 PolarHBondContact O-N 3.26Å; V826-S829 PolarHBondContact O-OG 2.87Å; V826-T830 PolarHBondContact O-N 2.91Å; V826-T830 PolarHBondContact O-OG1 3.05Å
827I45.7Very low43Very low76 Ų7679.4 Ų79.439%0.3940%0.401SS..Hα-helixtrans-63.7-38.9177.5-63.6169.9000110.8M823 T830M823-I827 HydrophobicContact CG-CD1 4.14Å; M823-I827 WeakPolarHBondContact O-CG1 3.29Å; M823-I827 PolarHBondContact O-N 3.22Å; M823-I827 HydrophobicContact SD-CD1 4.41Å; I827-T830 PolarHBondContact O-OG1 2.87Å
828G44.2Very low42Very low14 Ų1485.2 Ų85.214%0.14441%0.413CS..Hα-helixtrans-68.6-38.9174.900000112.1Q824 V826 T830 A831 Y832Q824-G828 WeakPolarHBondContact O-CA 3.5Å; Q824-G828 PolarHBondContact O-N 3.27Å; V826-G828 VanDerWaalsContact C-N 3.29Å; V826-G828 PolarHBondContact O-N 2.85Å; G828-T830 VanDerWaalsContact C-N 3.27Å; G828-T830 PolarHBondContact O-N 3.06Å; G828-A831 CarbonylContact O-C 3.44Å; G828-A831 VanDerWaalsContact O-CA 3.25Å; G828-A831 WeakPolarHBondContact O-CA 3.4Å; G828-A831 WeakPolarHBondContact O-CB 3.42Å; G828-A831 PolarHBondContact O-N 3.48Å; G828-Y832 WeakPolarHBondContact O-CD2 3.45Å; G828-Y832 PolarHBondContact O-N 3.24Å
829S40.6Very low40.9Very low19 Ų1982.5 Ų82.513%0.13341%0.413CS..Hα-helixtrans-64.6-27.9178.468.30000113.3S768 D825 V826 A831 Y832S768-S829 PolarHBondContact OG-OG 2.98Å; D825-S829 WeakPolarHBondContact O-CA 3.45Å; D825-S829 WeakPolarHBondContact O-CB 3.44Å; D825-S829 PolarHBondContact O-N 2.82Å; D825-S829 PolarHBondContact O-OG 3.25Å; D825-S829 VanDerWaalsContact O-OG 3.08Å; V826-S829 WeakPolarHBondContact CA-OG 3.4Å; V826-S829 PolarHBondContact O-N 3.26Å; V826-S829 PolarHBondContact O-OG 2.87Å; S829-A831 VanDerWaalsContact C-N 3.26Å; S829-Y832 PolarHBondContact O-N 2.9Å
830T41Very low40.1Very low27 Ų2778 Ų7817%0.16641%0.409CS..THydrogen-bonded Turntrans-75.5-14.7168.637.70000113.4W724 V826 I827 G828W724-T830 HydrophobicContact CH2-CG2 4.2Å; V826-T830 PolarHBondContact O-N 2.91Å; V826-T830 PolarHBondContact O-OG1 3.05Å; I827-T830 PolarHBondContact O-OG1 2.87Å; G828-T830 VanDerWaalsContact C-N 3.27Å; G828-T830 PolarHBondContact O-N 3.06Å
831A43.9Very low39Very low19 Ų1982.1 Ų82.116%0.15743%0.425CS..THydrogen-bonded Turntrans-1057.5171.900000112.7T801 G828 S829 V833T801-A831 WeakPolarHBondContact CG2-O 3.42Å; G828-A831 CarbonylContact O-C 3.44Å; G828-A831 VanDerWaalsContact O-CA 3.25Å; G828-A831 WeakPolarHBondContact O-CA 3.4Å; G828-A831 WeakPolarHBondContact O-CB 3.42Å; G828-A831 PolarHBondContact O-N 3.48Å; S829-A831 VanDerWaalsContact C-N 3.26Å; A831-V833 VanDerWaalsContact C-N 3.31Å; A831-V833 PolarHBondContact O-N 3.36Å
832Y36.3Very low38Very low69 Ų6984.4 Ų84.427%0.27145%0.447SS..  trans-69.491.4176.2-106.2-116.3000108.9D760 G828 S829 K835D760-Y832 VanDerWaalsContact CG-O 3.27Å; G828-Y832 WeakPolarHBondContact O-CD2 3.45Å; G828-Y832 PolarHBondContact O-N 3.24Å; S829-Y832 PolarHBondContact O-N 2.9Å; Y832-K835 HydrophobicContact CD1-CB 4.25Å; Y832-K835 HydrophobicContact CD1-CG 4.18Å; Y832-K835 HydrophobicContact CE1-CB 3.73Å; Y832-K835 HydrophobicContact CE1-CD 3.48Å; Y832-K835 VanDerWaalsContact CE1-CD 3.48Å; Y832-K835 HydrophobicContact CE1-CG 3.46Å; Y832-K835 VanDerWaalsContact CE1-CG 3.46Å; Y832-K835 VanDerWaalsContact CZ-CE 3.47Å; Y832-K835 VanDerWaalsContact OH-CD 3.26Å; Y832-K835 WeakPolarHBondContact OH-CD 3.28Å; Y832-K835 WeakPolarHBondContact OH-CE 3.44Å; Y832-K835 PolarHBondContact OH-NZ 2.74Å
833V36.5Very low37Very low27 Ų2781.3 Ų81.316%0.16445%0.446CS..  trans-107114.6145.4177.10000105.8H757 D760 I793 T801 A831H757-V833 HydrophobicContact CB-CG1 3.78Å; D760-V833 WeakPolarHBondContact OD1-CA 3.27Å; D760-V833 VanDerWaalsContact OD2-CA 3.3Å; D760-V833 WeakPolarHBondContact OD2-CA 3.24Å; D760-V833 WeakPolarHBondContact OD2-CG2 3.34Å; I793-V833 HydrophobicContact CD1-CG1 4.46Å; T801-V833 HydrophobicContact CG2-CB 4.4Å; A831-V833 VanDerWaalsContact C-N 3.31Å; A831-V833 PolarHBondContact O-N 3.36Å
834S33.2Very low36.1Very low56 Ų5685.7 Ų85.739%0.39247%0.47SS..  trans82.588.2169.6-155.70000117.9D760D760-S834 PolarHBondContact OD1-N 3.03Å
835K34.5Very low35.1Very low130 Ų13090.7 Ų90.757%0.56550%0.499SS*.SBendtrans-107.4-15.3147.8-90.3-158.1-173.11710114.8Y832Y832-K835 HydrophobicContact CD1-CB 4.25Å; Y832-K835 HydrophobicContact CD1-CG 4.18Å; Y832-K835 HydrophobicContact CE1-CB 3.73Å; Y832-K835 HydrophobicContact CE1-CD 3.48Å; Y832-K835 VanDerWaalsContact CE1-CD 3.48Å; Y832-K835 HydrophobicContact CE1-CG 3.46Å; Y832-K835 VanDerWaalsContact CE1-CG 3.46Å; Y832-K835 VanDerWaalsContact CZ-CE 3.47Å; Y832-K835 VanDerWaalsContact OH-CD 3.26Å; Y832-K835 WeakPolarHBondContact OH-CD 3.28Å; Y832-K835 WeakPolarHBondContact OH-CE 3.44Å; Y832-K835 PolarHBondContact OH-NZ 2.74Å
836K28.5Very low34.1Very low188 Ų18894.8 Ų94.882%0.81752%0.521SS*.SBendtrans-100.5-6.5-172.6-101.1-177.3176.3-179.70117.1R838K836-R838 VanDerWaalsContact C-N 3.28Å; K836-R838 PolarHBondContact O-N 3.25Å
837A33.6Very low33.1Very low51 Ų51101.6 Ų101.642%0.42155%0.55SS..G310 helixtrans-75.6-10.9176.900000114.6S839A837-S839 VanDerWaalsContact C-N 3.33Å; A837-S839 PolarHBondContact O-N 3.26Å
838R31.9Very low32.2Very low209 Ų209103.7 Ų103.779%0.78957%0.568SS**G310 helixtrans-74.3-15.6178.5-94.9-175.6176.2-172.8-3.9114.9K836K836-R838 VanDerWaalsContact C-N 3.28Å; K836-R838 PolarHBondContact O-N 3.25Å
839S28.8Very low31.2Very low113 Ų113108.8 Ų108.879%0.7960%0.601SS**G310 helixtrans-95.2-5-178.4-161.90000114.7A837A837-S839 VanDerWaalsContact C-N 3.33Å; A837-S839 PolarHBondContact O-N 3.26Å
840A32.4Very low30.4Very low84 Ų84113.1 Ų113.169%0.69463%0.632SS**SBendtrans-116.60.7-17300000115.3
841K27.3Very low29.6Very low179 Ų179115.5 Ų115.578%0.77866%0.655SS**  trans-124.743.2179-73.6-174.9177.1174.80113.7
842T27.1Very low28.9Very low134 Ų134122.1 Ų122.182%0.82269%0.685SS**SBendtrans-114.152.1158.629.50000109.9
843A26.9Very low28.2Very low78 Ų78126.8 Ų126.865%0.64571%0.71SS**SBendtrans-153.6117.2161.500000107.3
844N23.9Very low27.5Very low147 Ų147134.5 Ų134.579%0.78674%0.743SS**  trans67.898.6169.7-55.9-6.1000116
845D28.4Very low27.2Very low159 Ų159136.3 Ų136.385%0.8576%0.762SS**  179.3129.599.8-84.8-24.5000109.9E847D845-E847 PolarHBondContact O-N 2.83Å
846D23.1Very low26.7Very low168 Ų168139.2 Ų139.290%0.89878%0.777SS**  trans-64.6111.1173.4-72.1-55.3000110.5
847E26.9Very low26.6Very low187 Ų187134.9 Ų134.987%0.87478%0.777SS**  trans-158.3143152.1-110.6-175.3-169.600110.8D845 S849D845-E847 PolarHBondContact O-N 2.83Å; E847-S849 PolarHBondContact O-N 2.88Å
848P26.3Very low26.2Very low119 Ų119140.6 Ų140.677%0.77380%0.8SS**  trans-77.9131.1-149.928.1-32.5000113.7S850P848-S850 PolarHBondContact O-N 3.47Å; P848-S850 VanDerWaalsContact O-N 3.13Å
849S23.1Very low26Very low121 Ų121136.9 Ų136.985%0.84680%0.8SS**  trans-53.8107.3168.554.50000111.9E847E847-S849 PolarHBondContact O-N 2.88Å
850S24.4Very low25.9Very low111 Ų111139 Ų13978%0.77680%0.803SS**  trans-99.382.4155.847.90000108.3P848 I852P848-S850 PolarHBondContact O-N 3.47Å; P848-S850 VanDerWaalsContact O-N 3.13Å; S850-I852 PolarHBondContact O-N 3.08Å
851A25.7Very low25.7Very low77 Ų77144 Ų14464%0.63681%0.809SS**  trans-61119.7164.300000108.2H853A851-H853 VanDerWaalsContact C-N 3.28Å; A851-H853 PolarHBondContact O-N 2.99Å
852I27.7Very low25.7Very low157 Ų157144.5 Ų144.581%0.80581%0.814SS**  trans-69.789.8174.1-61.2170000106.8S850 H854S850-I852 PolarHBondContact O-N 3.08Å; I852-H854 PolarHBondContact O-N 2.98Å
853H21.9Very low26Very low168 Ų168143.8 Ų143.878%0.77881%0.812SS**  trans-70.2120.7162.1-92.4-87.2000108.3A851 A855A851-H853 VanDerWaalsContact C-N 3.28Å; A851-H853 PolarHBondContact O-N 2.99Å; H853-A855 PolarHBondContact O-N 3.3Å; H853-A855 VanDerWaalsContact O-N 3.1Å
854H23.2Very low26.2Very low188 Ų188147.8 Ų147.887%0.8782%0.821SS**  trans-60.2105.3161.8-72.3-79.1000108.1I852I852-H854 PolarHBondContact O-N 2.98Å
855A26.2Very low26.4Very low94 Ų94148.1 Ų148.178%0.77782%0.823SS**  trans-112.4122170.600000108.8H853H853-A855 PolarHBondContact O-N 3.3Å; H853-A855 VanDerWaalsContact O-N 3.1Å
856E23.1Very low26.7Very low191 Ų191145.7 Ų145.789%0.89382%0.819SS**  trans-61160.6177.1-68.8170.3142.400112.1D858E856-D858 PolarHBondContact O-N 2.65Å
857A26.9Very low27.3Very low98 Ų98149.2 Ų149.281%0.8182%0.82SS**  trans-54.5124.3-174.400000113.1
858D25.1Very low27.9Very low170 Ų170144.1 Ų144.191%0.90981%0.805SS**  trans-127.3122.2155.4-119.6-21.7000110.4E856E856-D858 PolarHBondContact O-N 2.65Å
859V27.2Very low28.4Very low131 Ų131143.2 Ų143.279%0.79480%0.797SS**  trans-85.4108.2-177.7172.10000107.4
860N27.8Very low29.1Very low159 Ų159139.6 Ų139.685%0.8578%0.778SS**  trans-147.2137.1155.9-124.9-19.9000113.8
861K26.9Very low30.4Very low187 Ų187137 Ų13781%0.81376%0.761SS**  trans-71.2136.5-172.1-63.8164.5174.2173.50111.6
862Q28.2Very low31.8Very low190 Ų190137 Ų13789%0.88875%0.752SS**  trans169.4160.6135.1-94.7174.4200112.3
863P34.2Very low33Very low119 Ų119134.3 Ų134.377%0.77374%0.736SS**  trans-90.1159.9-138.434.3-35000116.7
864L29.4Very low34.5Very low162 Ų162135.9 Ų135.985%0.84874%0.735SS**  trans-56.9131.5175.4-6795.1000112.4
865D29.4Very low36.1Very low155 Ų155133.6 Ų133.683%0.82972%0.723SS**  -169.5141.5128.2-92.9-28.3000111
866S33.4Very low37.7Very low108 Ų108134.6 Ų134.676%0.75571%0.712SS**SBendtrans85.17.6168.279.50000122.7
867R35.9Very low39.5Very low242 Ų242133 Ų13391%0.91370%0.697SS**SBendtrans-101.73.2168.6-87.6-175.6177178.10.2116
868S40.6Very low41.1Very low80 Ų80130.9 Ų130.956%0.55967%0.669SS**SBendtrans-81-34.4-172.852.10000115S871 V872S868-S871 PolarHBondContact O-N 3.32Å; S868-S871 PolarHBondContact O-OG 2.86Å; S868-S871 VanDerWaalsContact O-OG 3.06Å; S868-V872 PolarHBondContact O-N 2.89Å
869T37.2Very low43Very low100 Ų100124.4 Ų124.461%0.61364%0.635SS**Hα-helixtrans-66.8-42.8-172.945.10000113.6S871 V872 E873T869-S871 VanDerWaalsContact C-N 3.27Å; T869-S871 PolarHBondContact O-N 3.36Å; T869-V872 PolarHBondContact O-N 2.61Å; T869-E873 PolarHBondContact O-N 3.44Å; T869-E873 VanDerWaalsContact O-N 3.16Å
870G36.8Very low45.1Very low44 Ų44122.8 Ų122.845%0.45462%0.621SS.*Hα-helixtrans-64.6-26.7179.400000114.4R874G870-R874 WeakPolarHBondContact O-CB 3.5Å; G870-R874 WeakPolarHBondContact O-CG 3.27Å; G870-R874 PolarHBondContact O-N 3.07Å
871S51.9Low47.1Very low58 Ų58120.8 Ų120.841%0.40660%0.602SS.*Hα-helixtrans-77.5-35.4177.1850000112.5S868 T869 K875S868-S871 PolarHBondContact O-N 3.32Å; S868-S871 PolarHBondContact O-OG 2.86Å; S868-S871 VanDerWaalsContact O-OG 3.06Å; T869-S871 VanDerWaalsContact C-N 3.27Å; T869-S871 PolarHBondContact O-N 3.36Å; S871-K875 WeakPolarHBondContact O-CB 3.45Å; S871-K875 WeakPolarHBondContact O-CG 3.28Å; S871-K875 PolarHBondContact O-N 3.3Å
872V55.1Low49.3Very low76 Ų76113.1 Ų113.146%0.46157%0.571SS.*Hα-helixtrans-71.9-45.6-179.8176.90000110.2S868 T869 R874 K875 Q876S868-V872 PolarHBondContact O-N 2.89Å; T869-V872 PolarHBondContact O-N 2.61Å; V872-R874 PolarHBondContact O-N 2.99Å; V872-K875 PolarHBondContact O-N 2.69Å; V872-Q876 PolarHBondContact O-N 3.03Å
873E52.3Low51.5Low100 Ų100106.4 Ų106.447%0.46754%0.541SS..Hα-helixtrans-62.3-41.7175.2-75.9-169-164.300112.5T869 Q876 R877T869-E873 PolarHBondContact O-N 3.44Å; T869-E873 VanDerWaalsContact O-N 3.16Å; E873-Q876 PolarHBondContact O-N 3.46Å; E873-R877 WeakPolarHBondContact O-CG 3.14Å; E873-R877 PolarHBondContact O-N 3.15Å; E873-R877 IonicContact OE2-CZ 3.97Å; E873-R877 IonicContact OE2-NH2 2.93Å; E873-R877 PolarHBondContact OE2-NH2 2.92Å
874R54.4Low53.4Low202 Ų202106.8 Ų106.876%0.76253%0.532SS*.Hα-helixtrans-61.2-43.8175.1-85.2-177.7177.2174.3-0.3111.6G870 V872 Y878G870-R874 WeakPolarHBondContact O-CB 3.5Å; G870-R874 WeakPolarHBondContact O-CG 3.27Å; G870-R874 PolarHBondContact O-N 3.07Å; V872-R874 PolarHBondContact O-N 2.99Å; R874-Y878 VanDerWaalsContact O-CB 3.25Å; R874-Y878 WeakPolarHBondContact O-CB 3.47Å; R874-Y878 PolarHBondContact O-N 2.97Å
875K56.6Low55.6Low140 Ų140101 Ų10161%0.60950%0.499SS*.Hα-helixtrans-61.3-45.3174.8-79.5-179.4178.5-177.80111.6S871 V872 Y878 T879S871-K875 WeakPolarHBondContact O-CB 3.45Å; S871-K875 WeakPolarHBondContact O-CG 3.28Å; S871-K875 PolarHBondContact O-N 3.3Å; V872-K875 PolarHBondContact O-N 2.69Å; K875-Y878 WeakPolarHBondContact O-CB 3.34Å; K875-Y878 PolarHBondContact O-N 3.1Å; K875-T879 PolarHBondContact O-N 3.1Å; K875-T879 PolarHBondContact O-OG1 3.29Å
876Q59Low58Low115 Ų11593.6 Ų93.654%0.53746%0.46SS..Hα-helixtrans-63.9-47.9178.2-78.4179.8-20.500112.9V872 E873 Y878 T879 I880V872-Q876 PolarHBondContact O-N 3.03Å; E873-Q876 PolarHBondContact O-N 3.46Å; Q876-Y878 PolarHBondContact O-N 2.9Å; Q876-T879 PolarHBondContact O-N 3.1Å; Q876-I880 WeakPolarHBondContact O-CG1 3.36Å; Q876-I880 PolarHBondContact O-N 3Å
877R61.2Low60.4Low156 Ų15689.2 Ų89.259%0.58943%0.432SS*.Hα-helixtrans-61.7-32.2176.8-71.4-174.8-147.5178.47.8112.5E873 R881E873-R877 WeakPolarHBondContact O-CG 3.14Å; E873-R877 PolarHBondContact O-N 3.15Å; E873-R877 IonicContact OE2-CZ 3.97Å; E873-R877 IonicContact OE2-NH2 2.93Å; E873-R877 PolarHBondContact OE2-NH2 2.92Å; R877-R881 WeakPolarHBondContact O-CG 3.47Å; R877-R881 PolarHBondContact O-N 2.89Å; R877-R881 PolarHBondContact O-NE 2.83Å
878Y60.3Low62.5Low55 Ų5582 Ų8222%0.21641%0.407CS..Hα-helixtrans-67-47.8174.3-178-83.8000111.5E795 R874 K875 Q876 I880 R881 C882 R911E795-Y878 WeakPolarHBondContact OE2-CE2 2.93Å; E795-Y878 PolarHBondContact OE2-OH 3.41Å; R874-Y878 VanDerWaalsContact O-CB 3.25Å; R874-Y878 WeakPolarHBondContact O-CB 3.47Å; R874-Y878 PolarHBondContact O-N 2.97Å; K875-Y878 WeakPolarHBondContact O-CB 3.34Å; K875-Y878 PolarHBondContact O-N 3.1Å; Q876-Y878 PolarHBondContact O-N 2.9Å; Y878-I880 PolarHBondContact O-N 2.94Å; Y878-R881 PolarHBondContact O-N 3.47Å; Y878-C882 WeakPolarHBondContact CE1-SG 3.32Å; Y878-C882 PolarHBondContact O-N 3.3Å; Y878-C882 PolarHBondContact O-SG 2.76Å; Y878-C882 VanDerWaalsContact O-SG 3.4Å; Y878-R911 PolarHBondContact OH-NH1 3Å; Y878-R911 PolarHBondContact OH-NH2 3.16Å
879T65.1Low64.6Low33 Ų3378.6 Ų78.620%0.20238%0.383CS..Hα-helixtrans-61.6-44.2179.6-56.60000112.4K875 Q876 R881 C882 I883 F918K875-T879 PolarHBondContact O-N 3.1Å; K875-T879 PolarHBondContact O-OG1 3.29Å; Q876-T879 PolarHBondContact O-N 3.1Å; T879-R881 VanDerWaalsContact C-N 3.3Å; T879-R881 PolarHBondContact O-N 3.14Å; T879-C882 WeakPolarHBondContact O-CB 3.39Å; T879-C882 PolarHBondContact O-N 3.02Å; T879-C882 VanDerWaalsContact O-N 3.16Å; T879-I883 HydrophobicContact CG2-CD1 4.28Å; T879-I883 PolarHBondContact O-N 3.22Å; T879-F918 HydrophobicContact CG2-CB 4.07Å; T879-F918 HydrophobicContact CG2-CD1 3.58Å; T879-F918 HydrophobicContact CG2-CE1 4.1Å; T879-F918 HydrophobicContact CG2-CG 3.82Å
880I71.6Confident67Low97 Ų9774 Ų7450%0.49735%0.354SS..Hα-helixtrans-59.9-42.1178.4-66.9166.5000110.9Q876 Y878 C882 I883 Q884Q876-I880 WeakPolarHBondContact O-CG1 3.36Å; Q876-I880 PolarHBondContact O-N 3Å; Y878-I880 PolarHBondContact O-N 2.94Å; I880-C882 VanDerWaalsContact C-N 3.34Å; I880-C882 PolarHBondContact O-N 3.28Å; I880-I883 PolarHBondContact O-N 3.09Å; I880-Q884 HydrophobicContact CG2-CG 4.47Å; I880-Q884 WeakPolarHBondContact O-CG 3.25Å; I880-Q884 PolarHBondContact O-N 3.35Å
881R70.1Confident69.5Low118 Ų11877.9 Ų77.945%0.44536%0.361SS..Hα-helixtrans-62.2-39.5176.6-78.9-175.6-78.7165.8-5.3112.5R877 Y878 T879 Q884 R885R877-R881 WeakPolarHBondContact O-CG 3.47Å; R877-R881 PolarHBondContact O-N 2.89Å; R877-R881 PolarHBondContact O-NE 2.83Å; Y878-R881 PolarHBondContact O-N 3.47Å; T879-R881 VanDerWaalsContact C-N 3.3Å; T879-R881 PolarHBondContact O-N 3.14Å; R881-Q884 PolarHBondContact O-N 3.32Å; R881-R885 WeakPolarHBondContact O-CG 3.23Å; R881-R885 PolarHBondContact O-N 2.98Å; R881-R885 VanDerWaalsContact O-N 3.09Å
882C71.8Confident71.1Confident26 Ų2675.8 Ų75.818%0.17635%0.347CS..Hα-helixtrans-63.2-42.5177.4-66.50000112Y878 T879 I880 R885 A886 Y922Y878-C882 WeakPolarHBondContact CE1-SG 3.32Å; Y878-C882 PolarHBondContact O-N 3.3Å; Y878-C882 PolarHBondContact O-SG 2.76Å; Y878-C882 VanDerWaalsContact O-SG 3.4Å; T879-C882 WeakPolarHBondContact O-CB 3.39Å; T879-C882 PolarHBondContact O-N 3.02Å; T879-C882 VanDerWaalsContact O-N 3.16Å; I880-C882 VanDerWaalsContact C-N 3.34Å; I880-C882 PolarHBondContact O-N 3.28Å; C882-R885 PolarHBondContact O-N 3.43Å; C882-A886 PolarHBondContact O-N 2.82Å; C882-Y922 HydrophobicContact CB-CD2 4.08Å; C882-Y922 HydrophobicContact CB-CE2 4.3Å; C882-Y922 WeakPolarHBondContact O-CD2 3.35Å; C882-Y922 WeakPolarHBondContact O-CE2 3.13Å
883I74.4Confident72.7Confident49 Ų4972.1 Ų72.125%0.25133%0.325SS..Hα-helixtrans-67.5-43.7179-66.4171.5000110.9T879 I880 R885 A886 G887 T925T879-I883 HydrophobicContact CG2-CD1 4.28Å; T879-I883 PolarHBondContact O-N 3.22Å; I880-I883 PolarHBondContact O-N 3.09Å; I883-R885 VanDerWaalsContact C-N 3.27Å; I883-R885 PolarHBondContact O-N 3.5Å; I883-A886 WeakPolarHBondContact O-CB 3.49Å; I883-A886 PolarHBondContact O-N 2.91Å; I883-G887 PolarHBondContact O-N 3.47Å; I883-T925 HydrophobicContact CG2-CG2 4.12Å
884Q76Confident74.6Confident126 Ų12670.5 Ų70.559%0.58932%0.317SS*.Hα-helixtrans-58.4-39.9175.6-74.1176.1-19.900112.1I880 R881 G887 K888I880-Q884 HydrophobicContact CG2-CG 4.47Å; I880-Q884 WeakPolarHBondContact O-CG 3.25Å; I880-Q884 PolarHBondContact O-N 3.35Å; R881-Q884 PolarHBondContact O-N 3.32Å; Q884-G887 PolarHBondContact O-N 2.88Å; Q884-K888 PolarHBondContact O-N 2.76Å; Q884-K888 VanDerWaalsContact O-N 3.12Å
885R74.9Confident76.2Confident40 Ų4065.3 Ų65.315%0.15131%0.312CS..Hα-helixtrans-68.5-40.8175.5-71.5177.9-179.7-169.112.2112.9Y791 I793 E795 R881 C882 I883 G887 K888 L889Y791-R885 PolarHBondContact O-NE 2.88Å; I793-R885 PolarHBondContact O-NH1 3.43Å; E795-R885 VanDerWaalsContact CB-NH1 3.31Å; R881-R885 WeakPolarHBondContact O-CG 3.23Å; R881-R885 PolarHBondContact O-N 2.98Å; R881-R885 VanDerWaalsContact O-N 3.09Å; C882-R885 PolarHBondContact O-N 3.43Å; I883-R885 VanDerWaalsContact C-N 3.27Å; I883-R885 PolarHBondContact O-N 3.5Å; R885-G887 PolarHBondContact O-N 3.13Å; R885-K888 PolarHBondContact O-N 3.48Å; R885-L889 PolarHBondContact O-N 3.42Å
886A80.2Confident77.8Confident0 Ų063 Ų630%030%0.302CS..Hα-helixtrans-57.5-39.5172.800000111.4C882 I883 N890 Y922 T925 L926C882-A886 PolarHBondContact O-N 2.82Å; I883-A886 WeakPolarHBondContact O-CB 3.49Å; I883-A886 PolarHBondContact O-N 2.91Å; A886-N890 VanDerWaalsContact O-CB 3.28Å; A886-N890 WeakPolarHBondContact O-CB 3.34Å; A886-N890 PolarHBondContact O-N 3.45Å; A886-Y922 HydrophobicContact CB-CD2 3.8Å; A886-Y922 HydrophobicContact CB-CE2 3.7Å; A886-Y922 HydrophobicContact CB-CG 4.41Å; A886-T925 HydrophobicContact CB-CG2 4.07Å; A886-L926 HydrophobicContact CB-CB 4.2Å
887G82.5Confident79.4Confident17 Ų1757.5 Ų57.518%0.17528%0.276CS..Hα-helixtrans-61.3-48.8174.800000112.7I883 Q884 R885 L889 N890 E891I883-G887 PolarHBondContact O-N 3.47Å; Q884-G887 PolarHBondContact O-N 2.88Å; R885-G887 PolarHBondContact O-N 3.13Å; G887-L889 PolarHBondContact O-N 3.43Å; G887-N890 CarbonylContact O-C 3.5Å; G887-N890 WeakPolarHBondContact O-CA 3.41Å; G887-N890 WeakPolarHBondContact O-CB 3.42Å; G887-N890 PolarHBondContact O-N 3.35Å; G887-N890 VanDerWaalsContact O-N 3.15Å; G887-E891 WeakPolarHBondContact O-CG 3.33Å; G887-E891 PolarHBondContact O-N 2.85Å
888K81.6Confident80.6Confident90 Ų9052.6 Ų52.639%0.39127%0.274SS..Hα-helixtrans-63.5-40.2177.5-69-171.1178.4-1670113.6D792 Q884 R885 N890 E891 A892D792-K888 HydrophobicContact CB-CD 4.17Å; D792-K888 VanDerWaalsContact CG-CD 3.5Å; D792-K888 WeakPolarHBondContact OD1-CD 3.41Å; D792-K888 VanDerWaalsContact OD1-CE 3.32Å; D792-K888 WeakPolarHBondContact OD1-CE 3.01Å; D792-K888 IonicContact OD1-NZ 3.12Å; D792-K888 PolarHBondContact OD1-NZ 3.06Å; D792-K888 IonicContact OD2-NZ 2.69Å; Q884-K888 PolarHBondContact O-N 2.76Å; Q884-K888 VanDerWaalsContact O-N 3.12Å; R885-K888 PolarHBondContact O-N 3.48Å; K888-N890 VanDerWaalsContact C-N 3.31Å; K888-E891 WeakPolarHBondContact O-CB 3.36Å; K888-E891 PolarHBondContact O-N 3.19Å; K888-A892 PolarHBondContact O-N 3.05Å; K888-A892 VanDerWaalsContact O-N 3.07Å
889L83.3Confident82Confident8 Ų858.6 Ų58.64%0.04230%0.304CS..Hα-helixtrans-65.6-38.6174.6-179.558.5000110.9W723 I725 V755 L788 R885 G887 A892 I893 L926W723-L889 HydrophobicContact CZ3-CD1 4.29Å; I725-L889 HydrophobicContact CD1-CD2 3.92Å; V755-L889 HydrophobicContact CG2-CD1 4.09Å; L788-L889 HydrophobicContact CD1-CD1 4.07Å; R885-L889 PolarHBondContact O-N 3.42Å; G887-L889 PolarHBondContact O-N 3.43Å; L889-A892 WeakPolarHBondContact O-CB 3.43Å; L889-A892 PolarHBondContact O-N 2.77Å; L889-I893 HydrophobicContact CD1-CD1 4.48Å; L889-I893 HydrophobicContact CG-CD1 4.04Å; L889-I893 WeakPolarHBondContact O-CD1 3.45Å; L889-I893 VanDerWaalsContact O-CG1 3.23Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; L889-I893 PolarHBondContact O-N 3.4Å; L889-L926 HydrophobicContact CB-CD1 4.04Å; L889-L926 HydrophobicContact CD2-CD1 3.59Å; L889-L926 HydrophobicContact CG-CD1 3.76Å
890N88.7Confident83.3Confident4 Ų457.6 Ų57.62%0.02130%0.299CS..Hα-helixtrans-61.5-43.7172.7178.1-87000111.8A886 G887 K888 A892 I893 Q894 T925 L926 M928A886-N890 VanDerWaalsContact O-CB 3.28Å; A886-N890 WeakPolarHBondContact O-CB 3.34Å; A886-N890 PolarHBondContact O-N 3.45Å; G887-N890 CarbonylContact O-C 3.5Å; G887-N890 WeakPolarHBondContact O-CA 3.41Å; G887-N890 WeakPolarHBondContact O-CB 3.42Å; G887-N890 PolarHBondContact O-N 3.35Å; G887-N890 VanDerWaalsContact O-N 3.15Å; K888-N890 VanDerWaalsContact C-N 3.31Å; N890-A892 VanDerWaalsContact C-N 3.29Å; N890-A892 PolarHBondContact O-N 3.11Å; N890-I893 CarbonylContact O-C 3.58Å; N890-I893 WeakPolarHBondContact O-CA 3.47Å; N890-I893 WeakPolarHBondContact O-CB 3.28Å; N890-I893 PolarHBondContact O-N 2.98Å; N890-Q894 WeakPolarHBondContact O-CG 3.45Å; N890-Q894 PolarHBondContact O-N 2.9Å; N890-Q894 VanDerWaalsContact OD1-CD 3.25Å; N890-Q894 PolarHBondContact OD1-NE2 2.94Å; N890-T925 WeakPolarHBondContact CB-O 3.24Å; N890-L926 WeakPolarHBondContact CB-O 3.27Å; N890-L926 VanDerWaalsContact ND2-C 3.31Å; N890-L926 PolarHBondContact ND2-O 3.38Å; N890-M928 PolarHBondContact ND2-N 3.17Å; N890-M928 VanDerWaalsContact ND2-N 3.16Å; N890-M928 PolarHBondContact ND2-O 3.16Å
891E88.2Confident84.3Confident126 Ų12655.8 Ų55.859%0.58929%0.288SS*.Hα-helixtrans-56.5-43.7174.1-71.4169.3-173.400111.5G887 K888 Q894 S895G887-E891 WeakPolarHBondContact O-CG 3.33Å; G887-E891 PolarHBondContact O-N 2.85Å; K888-E891 WeakPolarHBondContact O-CB 3.36Å; K888-E891 PolarHBondContact O-N 3.19Å; E891-Q894 PolarHBondContact O-N 3.27Å; E891-S895 WeakPolarHBondContact O-CB 3.33Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 3.05Å
892A86.3Confident85.5Confident13 Ų1350.2 Ų50.211%0.10727%0.267CS..Hα-helixtrans-62.5-42.9174.300000111.9W723 V786 K888 L889 N890 S895 K896W723-A892 HydrophobicContact CH2-CB 4.4Å; V786-A892 HydrophobicContact CG1-CB 4.42Å; K888-A892 PolarHBondContact O-N 3.05Å; K888-A892 VanDerWaalsContact O-N 3.07Å; L889-A892 WeakPolarHBondContact O-CB 3.43Å; L889-A892 PolarHBondContact O-N 2.77Å; N890-A892 VanDerWaalsContact C-N 3.29Å; N890-A892 PolarHBondContact O-N 3.11Å; A892-S895 PolarHBondContact O-N 3.31Å; A892-S895 PolarHBondContact O-OG 3.1Å; A892-K896 PolarHBondContact O-N 3.42Å
893I89.4Confident86.7Confident0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-62.6-47.4176.1-64.9160000111W723 L889 N890 S895 K896 S897 I903 L905 L926 L930W723-I893 HydrophobicContact CD2-CD1 4.49Å; W723-I893 HydrophobicContact CD2-CG1 3.68Å; W723-I893 HydrophobicContact CE3-CG1 3.79Å; W723-I893 HydrophobicContact CG-CG1 4.33Å; W723-I893 HydrophobicContact CH2-CB 4.42Å; W723-I893 HydrophobicContact CH2-CG1 3.85Å; W723-I893 VanDerWaalsContact CZ2-CA 3.47Å; W723-I893 HydrophobicContact CZ2-CB 4.07Å; W723-I893 HydrophobicContact CZ2-CG1 3.77Å; W723-I893 HydrophobicContact CZ2-CG2 4.38Å; W723-I893 HydrophobicContact CZ3-CG1 3.87Å; L889-I893 HydrophobicContact CD1-CD1 4.48Å; L889-I893 HydrophobicContact CG-CD1 4.04Å; L889-I893 WeakPolarHBondContact O-CD1 3.45Å; L889-I893 VanDerWaalsContact O-CG1 3.23Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; L889-I893 PolarHBondContact O-N 3.4Å; N890-I893 CarbonylContact O-C 3.58Å; N890-I893 WeakPolarHBondContact O-CA 3.47Å; N890-I893 WeakPolarHBondContact O-CB 3.28Å; N890-I893 PolarHBondContact O-N 2.98Å; I893-S895 VanDerWaalsContact C-N 3.34Å; I893-S895 PolarHBondContact O-N 3.4Å; I893-K896 PolarHBondContact O-N 2.96Å; I893-S897 CarbonylContact O-C 3.48Å; I893-S897 VanDerWaalsContact O-CA 3.28Å; I893-S897 WeakPolarHBondContact O-CA 3.26Å; I893-S897 VanDerWaalsContact O-CB 3.23Å; I893-S897 WeakPolarHBondContact O-CB 3.22Å; I893-S897 PolarHBondContact O-N 3.5Å; I893-I903 HydrophobicContact CG2-CD1 4.23Å; I893-I903 HydrophobicContact CG2-CG2 4.4Å; I893-L905 HydrophobicContact CD1-CD1 4.23Å; I893-L905 HydrophobicContact CD1-CD2 3.65Å; I893-L926 HydrophobicContact CD1-CD1 4.07Å; I893-L930 HydrophobicContact CG2-CD1 3.69Å; I893-L930 HydrophobicContact CG2-CD2 4.05Å
894Q90.4Very high87.6Confident65 Ų6546.8 Ų46.830%0.30425%0.248SC..Hα-helixtrans-61.7-42.3178.6-71.3-176.7-0.700111.4N890 E891 K896 G898 M928 L930N890-Q894 WeakPolarHBondContact O-CG 3.45Å; N890-Q894 PolarHBondContact O-N 2.9Å; N890-Q894 VanDerWaalsContact OD1-CD 3.25Å; N890-Q894 PolarHBondContact OD1-NE2 2.94Å; E891-Q894 PolarHBondContact O-N 3.27Å; Q894-K896 VanDerWaalsContact C-N 3.3Å; Q894-K896 PolarHBondContact O-N 3.29Å; Q894-G898 VanDerWaalsContact O-CA 3.32Å; Q894-G898 WeakPolarHBondContact O-CA 3.45Å; Q894-G898 PolarHBondContact O-N 3Å; Q894-M928 PolarHBondContact NE2-O 3.44Å; Q894-L930 HydrophobicContact CG-CD2 3.87Å
895S89.6Confident88.4Confident93 Ų9340.8 Ų40.865%0.6522%0.22SC*.Hα-helixtrans-62.8-32.4-179.575.30000114.1E891 A892 I893E891-S895 WeakPolarHBondContact O-CB 3.33Å; E891-S895 PolarHBondContact O-N 2.65Å; E891-S895 PolarHBondContact O-OG 3.05Å; A892-S895 PolarHBondContact O-N 3.31Å; A892-S895 PolarHBondContact O-OG 3.1Å; I893-S895 VanDerWaalsContact C-N 3.34Å; I893-S895 PolarHBondContact O-N 3.4Å
896K89.5Confident89Confident92 Ų9239.1 Ų39.140%0.421%0.214SC..Hα-helixtrans-104-31.4-175.3-66.9-75.7-173.8153.30113.6W723 R751 F753 D784 A892 I893 Q894W723-K896 HydrophobicContact CZ2-CB 4.06Å; R751-K896 PolarHBondContact NH2-O 3.32Å; R751-K896 VanDerWaalsContact NH2-O 3.12Å; F753-K896 HydrophobicContact CE1-CB 4.05Å; F753-K896 HydrophobicContact CE1-CD 4.43Å; F753-K896 HydrophobicContact CE1-CG 4.49Å; F753-K896 HydrophobicContact CZ-CB 4.45Å; D784-K896 IonicContact OD2-NZ 3.63Å; D784-K896 PolarHBondContact OD2-NZ 2.93Å; A892-K896 PolarHBondContact O-N 3.42Å; I893-K896 PolarHBondContact O-N 2.96Å; Q894-K896 VanDerWaalsContact C-N 3.3Å; Q894-K896 PolarHBondContact O-N 3.29Å
897S91.8Very high89.4Confident0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-1267-168.6-620000113.6D721 W723 I893 E899 A900 I903D721-S897 WeakPolarHBondContact OD2-CA 3.31Å; D721-S897 WeakPolarHBondContact OD2-CB 3.43Å; D721-S897 PolarHBondContact OD2-OG 3.24Å; W723-S897 PolarHBondContact NE1-OG 3.33Å; I893-S897 CarbonylContact O-C 3.48Å; I893-S897 VanDerWaalsContact O-CA 3.28Å; I893-S897 WeakPolarHBondContact O-CA 3.26Å; I893-S897 VanDerWaalsContact O-CB 3.23Å; I893-S897 WeakPolarHBondContact O-CB 3.22Å; I893-S897 PolarHBondContact O-N 3.5Å; S897-E899 PolarHBondContact O-N 3.45Å; S897-A900 WeakPolarHBondContact O-CB 2.88Å; S897-A900 PolarHBondContact O-N 3.47Å; S897-I903 WeakPolarHBondContact O-CD1 3.5Å
898G87.9Confident89.4Confident53 Ų5338.9 Ų38.955%0.54621%0.209SC..THydrogen-bonded Turntrans-57-3217900000114.2Q894Q894-G898 VanDerWaalsContact O-CA 3.32Å; Q894-G898 WeakPolarHBondContact O-CA 3.45Å; Q894-G898 PolarHBondContact O-N 3Å
899E89.2Confident89.3Confident181 Ų18136.8 Ų36.885%0.84620%0.2SC*.THydrogen-bonded Turntrans-92.22.4176.3-60.2-177169.100113.8S897S897-E899 PolarHBondContact O-N 3.45Å
900A92.1Very high89.3Confident11 Ų1137.2 Ų37.29%0.09120%0.204CC..  trans-67.2140.1-179.300000110.6D721 S897 L902 I903D721-A900 HydrophobicContact CB-CB 4.11Å; D721-A900 WeakPolarHBondContact OD2-CB 2.97Å; S897-A900 WeakPolarHBondContact O-CB 2.88Å; S897-A900 PolarHBondContact O-N 3.47Å; A900-L902 VanDerWaalsContact C-N 3.28Å; A900-L902 PolarHBondContact O-N 3Å; A900-I903 HydrophobicContact CB-CD1 4.39Å; A900-I903 HydrophobicContact CB-CG1 3.85Å
901Q93.4Very high88.6Confident60 Ų6042 Ų4228%0.2822%0.222SC..SBendtrans-78.7-17.3-179.2-66.8-62.5-52.400112.7I716 T717 N719 W745 R932I716-Q901 HydrophobicContact CG2-CB 3.61Å; I716-Q901 HydrophobicContact CG2-CG 3.64Å; T717-Q901 WeakPolarHBondContact O-CG 3.31Å; N719-Q901 PolarHBondContact O-N 3.12Å; W745-Q901 HydrophobicContact CZ3-CB 4.22Å; Q901-R932 VanDerWaalsContact O-CD 3.3Å; Q901-R932 WeakPolarHBondContact O-CD 3.33Å; Q901-R932 PolarHBondContact O-NH1 3.35Å
902L95.4Very high87.6Confident0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-157.7132.2175.5-175.963.3000109.1F591 F709 I720 D721 L739 W745 A900 F904 R932 V934F591-L902 HydrophobicContact CE2-CD2 4.48Å; F709-L902 HydrophobicContact CE1-CD1 3.63Å; F709-L902 HydrophobicContact CZ-CD1 3.89Å; I720-L902 WeakPolarHBondContact CA-O 3.18Å; I720-L902 HydrophobicContact CG1-CB 4.24Å; I720-L902 HydrophobicContact CG2-CB 4.33Å; I720-L902 HydrophobicContact CG2-CD2 4.18Å; I720-L902 HydrophobicContact CG2-CG 4.46Å; D721-L902 PolarHBondContact N-O 3.48Å; L739-L902 HydrophobicContact CD1-CD2 3.47Å; L739-L902 VanDerWaalsContact CD1-CD2 3.47Å; W745-L902 HydrophobicContact CH2-CB 3.79Å; W745-L902 HydrophobicContact CH2-CD1 4.31Å; W745-L902 HydrophobicContact CH2-CD2 4.01Å; W745-L902 HydrophobicContact CH2-CG 4.28Å; W745-L902 HydrophobicContact CZ2-CD2 4.29Å; W745-L902 HydrophobicContact CZ3-CB 3.65Å; W745-L902 HydrophobicContact CZ3-CD2 4.15Å; W745-L902 HydrophobicContact CZ3-CG 4.46Å; A900-L902 VanDerWaalsContact C-N 3.28Å; A900-L902 PolarHBondContact O-N 3Å; L902-F904 HydrophobicContact CD2-CD2 4.36Å; L902-F904 HydrophobicContact CD2-CE2 3.61Å; L902-F904 HydrophobicContact CD2-CZ 3.89Å; L902-F904 HydrophobicContact CG-CE2 4.21Å; L902-R932 HydrophobicContact CD1-CB 4.05Å; L902-V934 HydrophobicContact CD1-CG2 3.63Å; L902-V934 HydrophobicContact CG-CG2 4.49Å
903I95.2Very high86.5Confident4 Ų444.8 Ų44.82%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-119.2118.4177.3-53.5174.8000108.9D721 I893 S897 A900 L905 L930 R932 V933 V934D721-I903 CarbonylContact O-C 3.58Å; D721-I903 WeakPolarHBondContact O-CA 3.2Å; I893-I903 HydrophobicContact CG2-CD1 4.23Å; I893-I903 HydrophobicContact CG2-CG2 4.4Å; S897-I903 WeakPolarHBondContact O-CD1 3.5Å; A900-I903 HydrophobicContact CB-CD1 4.39Å; A900-I903 HydrophobicContact CB-CG1 3.85Å; I903-L905 HydrophobicContact CG2-CD1 4.3Å; I903-L905 HydrophobicContact CG2-CG 4.06Å; I903-L930 HydrophobicContact CD1-CB 4.44Å; I903-L930 HydrophobicContact CD1-CD1 4.09Å; I903-L930 HydrophobicContact CD1-CD2 3.83Å; I903-L930 HydrophobicContact CD1-CG 4.34Å; I903-R932 PolarHBondContact N-O 3.09Å; I903-V933 WeakPolarHBondContact O-CA 3.42Å; I903-V934 PolarHBondContact O-N 3.02Å
904F94.2Very high85.4Confident0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-89.8125.8168.3-74.5-78.1000109.8I720 D721 V722 W723 M732 L735 L739 L902 V934 V936I720-F904 HydrophobicContact CG2-CD2 3.79Å; I720-F904 HydrophobicContact CG2-CE2 3.7Å; D721-F904 PolarHBondContact O-N 3.19Å; V722-F904 HydrophobicContact CB-CB 4.49Å; V722-F904 HydrophobicContact CG2-CB 4.12Å; V722-F904 HydrophobicContact CG2-CD2 3.94Å; V722-F904 HydrophobicContact CG2-CG 4.39Å; W723-F904 PolarHBondContact N-O 3.34Å; M732-F904 HydrophobicContact CB-CB 4.15Å; M732-F904 HydrophobicContact CB-CG 4.47Å; M732-F904 HydrophobicContact CG-CB 4.22Å; M732-F904 HydrophobicContact SD-CB 3.86Å; L735-F904 HydrophobicContact CB-CE1 3.89Å; L735-F904 HydrophobicContact CB-CZ 3.79Å; L735-F904 HydrophobicContact CD1-CE1 3.96Å; L739-F904 HydrophobicContact CD1-CE2 4.03Å; L739-F904 HydrophobicContact CD1-CZ 3.65Å; L902-F904 HydrophobicContact CD2-CD2 4.36Å; L902-F904 HydrophobicContact CD2-CE2 3.61Å; L902-F904 HydrophobicContact CD2-CZ 3.89Å; L902-F904 HydrophobicContact CG-CE2 4.21Å; F904-V934 WeakPolarHBondContact CA-O 3.18Å; F904-V934 HydrophobicContact CD1-CB 3.61Å; F904-V934 HydrophobicContact CD1-CG1 3.73Å; F904-V934 HydrophobicContact CD1-CG2 4.46Å; F904-V934 HydrophobicContact CE1-CB 3.7Å; F904-V934 HydrophobicContact CE1-CG1 3.57Å; F904-V934 HydrophobicContact CE1-CG2 4.16Å; F904-V934 HydrophobicContact CG-CB 4.48Å; F904-V936 HydrophobicContact CD1-CG2 3.77Å; F904-V936 HydrophobicContact CE1-CG2 4.25Å
905L92Very high84.6Confident0 Ų050.3 Ų50.30%028%0.278CS..EExtended strand (participates in β ladder)trans-126.7145.8175.8-77.5164.5000109.2W723 I725 I893 I903 T927 L930 V933 V934 L935 V936W723-L905 HydrophobicContact CB-CD2 3.42Å; W723-L905 VanDerWaalsContact CB-CD2 3.42Å; W723-L905 HydrophobicContact CB-CG 4.34Å; W723-L905 HydrophobicContact CG-CD2 3.91Å; I725-L905 HydrophobicContact CD1-CD2 3.92Å; I893-L905 HydrophobicContact CD1-CD1 4.23Å; I893-L905 HydrophobicContact CD1-CD2 3.65Å; I903-L905 HydrophobicContact CG2-CD1 4.3Å; I903-L905 HydrophobicContact CG2-CG 4.06Å; L905-T927 HydrophobicContact CD1-CG2 3.82Å; L905-L930 HydrophobicContact CD1-CD1 4.28Å; L905-V933 HydrophobicContact CD1-CG1 3.9Å; L905-V934 PolarHBondContact N-O 3.12Å; L905-L935 HydrophobicContact CB-CD2 3.91Å; L905-L935 CarbonylContact O-C 3.44Å; L905-L935 VanDerWaalsContact O-CA 3.28Å; L905-L935 WeakPolarHBondContact O-CA 3.48Å; L905-V936 PolarHBondContact O-N 3.47Å
906N87.5Confident84.4Confident5 Ų546.6 Ų46.63%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-69.5137.6171.1-76.8-31.4000110.4L726 M732 P908 V936L726-N906 WeakPolarHBondContact CA-ND2 3.32Å; L726-N906 HydrophobicContact CB-CB 4.26Å; L726-N906 VanDerWaalsContact CB-ND2 3.31Å; L726-N906 WeakPolarHBondContact CB-ND2 3.3Å; L726-N906 HydrophobicContact CD1-CB 3.7Å; L726-N906 HydrophobicContact CG-CB 4.39Å; L726-N906 PolarHBondContact N-ND2 3.12Å; L726-N906 PolarHBondContact O-ND2 3.33Å; M732-N906 VanDerWaalsContact CE-CG 3.48Å; M732-N906 WeakPolarHBondContact CE-OD1 3.39Å; M732-N906 PolarHBondContact SD-OD1 3.33Å; M732-N906 VanDerWaalsContact SD-OD1 3.34Å; N906-P908 VanDerWaalsContact O-CD 3.27Å; N906-P908 WeakPolarHBondContact O-CD 3.5Å; N906-V936 CarbonylContact C-O 3.55Å; N906-V936 WeakPolarHBondContact CA-O 3.15Å
907L88.7Confident84.1Confident2 Ų245.9 Ų45.91%0.0125%0.251CS..  trans-86.4110.3171.3-172.865.3000109I690 L700 V702 Y919 I923 L935 V936 K937I690-L907 HydrophobicContact CD1-CD2 4.04Å; I690-L907 HydrophobicContact CG1-CD2 4.27Å; L700-L907 HydrophobicContact CD2-CD2 3.84Å; L700-L907 HydrophobicContact CG-CD2 4.48Å; V702-L907 HydrophobicContact CG2-CD2 3.98Å; L907-Y919 VanDerWaalsContact CD1-OH 3.24Å; L907-Y919 WeakPolarHBondContact CD1-OH 3.35Å; L907-I923 HydrophobicContact CD1-CD1 4.26Å; L907-L935 HydrophobicContact CB-CB 4.07Å; L907-L935 HydrophobicContact CD1-CB 3.93Å; L907-L935 HydrophobicContact CD1-CD1 3.93Å; L907-L935 HydrophobicContact CD1-CG 4.41Å; L907-L935 HydrophobicContact CG-CB 4.47Å; L907-V936 PolarHBondContact N-O 3.33Å; L907-K937 HydrophobicContact CB-CB 4.28Å; L907-K937 WeakPolarHBondContact O-CD 3.5Å
908P83.3Confident83.7Confident10 Ų1050.9 Ų50.97%0.06527%0.273CS..PPolyproline II helixtrans-64163.6175.7-18.833.6000112.2Y796 N906 Y919 Y922 I923Y796-P908 HydrophobicContact CD1-CB 4.11Å; Y796-P908 HydrophobicContact CE1-CB 3.95Å; Y796-P908 HydrophobicContact CG-CB 4.49Å; N906-P908 VanDerWaalsContact O-CD 3.27Å; N906-P908 WeakPolarHBondContact O-CD 3.5Å; P908-Y919 PolarHBondContact O-OH 2.97Å; P908-Y922 HydrophobicContact CG-CE1 4.02Å; P908-I923 VanDerWaalsContact CD-CD1 3.49Å; P908-I923 HydrophobicContact CG-CD1 4.01Å
909E80.5Confident83.6Confident45 Ų4549.1 Ų49.121%0.2125%0.25CC..PPolyproline II helixtrans-82.4134.3177.8-69.9174.8-178.300111.9R694 Y796 K937R694-E909 IonicContact CZ-OE1 3.2Å; R694-E909 VanDerWaalsContact CZ-OE1 3.26Å; R694-E909 IonicContact CZ-OE2 2.64Å; R694-E909 IonicContact NE-OE1 3.23Å; R694-E909 IonicContact NE-OE2 3.6Å; R694-E909 IonicContact NH1-OE1 2.66Å; R694-E909 IonicContact NH1-OE2 3.95Å; R694-E909 PolarHBondContact NH1-OE2 2.96Å; R694-E909 IonicContact NH2-OE1 3.68Å; R694-E909 PolarHBondContact NH2-OE1 3.22Å; R694-E909 VanDerWaalsContact NH2-OE1 3.08Å; R694-E909 IonicContact NH2-OE2 3.4Å; R694-E909 PolarHBondContact NH2-OE2 2.82Å; Y796-E909 HydrophobicContact CE2-CB 4.18Å; Y796-E909 WeakPolarHBondContact OH-CG 3.42Å; Y796-E909 PolarHBondContact OH-N 2.77Å; E909-K937 WeakPolarHBondContact OE1-CE 3.41Å; E909-K937 IonicContact OE1-NZ 2.94Å; E909-K937 PolarHBondContact OE1-NZ 3.34Å
910P82.1Confident83.6Confident17 Ų1740.5 Ų40.511%0.1121%0.21CC..PPolyproline II helixtrans-66.2139.9169.926.9-32.6000110.4V687 I690 R691 Y919V687-P910 HydrophobicContact CG1-CB 3.49Å; V687-P910 VanDerWaalsContact CG1-CB 3.49Å; V687-P910 HydrophobicContact CG1-CG 3.82Å; I690-P910 HydrophobicContact CB-CG 4.41Å; I690-P910 HydrophobicContact CG2-CG 4.04Å; R691-P910 HydrophobicContact CG-CG 4.18Å; P910-Y919 VanDerWaalsContact CA-CD2 3.49Å; P910-Y919 HydrophobicContact CB-CD1 4.27Å; P910-Y919 HydrophobicContact CB-CD2 3.78Å; P910-Y919 HydrophobicContact CB-CE1 4.42Å; P910-Y919 HydrophobicContact CB-CE2 3.93Å; P910-Y919 HydrophobicContact CB-CG 3.94Å
911R73.2Confident83.3Confident106 Ų10642 Ų4240%0.422%0.217SC..  trans-80.9-171.1174.6-70.7-174.4167173.50.7110.4R691 E799 Y878R691-R911 PolarHBondContact NH2-O 3.04Å; E799-R911 IonicContact OE2-CZ 3.56Å; E799-R911 IonicContact OE2-NH2 2.61Å; E799-R911 PolarHBondContact OE2-NH2 3.42Å; Y878-R911 PolarHBondContact OH-NH1 3Å; Y878-R911 PolarHBondContact OH-NH2 3.16Å
912G67.9Low83Confident51 Ų5140.5 Ų40.553%0.52621%0.208SC..SBendtrans-46.1160.3-177.600000114.8R691 D914 S915R691-G912 PolarHBondContact NH2-O 3.08Å; G912-D914 PolarHBondContact O-N 3.39Å; G912-S915 PolarHBondContact O-N 3.1Å; G912-S915 PolarHBondContact O-OG 2.94Å
913K63.6Low82.7Confident146 Ų14640.5 Ų40.564%0.63521%0.208SC*.G310 helixtrans-53.8-30.4-169-71.1-168.2172.6-169.50114.8S915K913-S915 PolarHBondContact O-N 2.72Å
914D65.8Low82.5Confident150 Ų15042.7 Ų42.780%0.80222%0.219SC*.G310 helixtrans-73.66.6-177.1-52.5-27.6000114.6G912G912-D914 PolarHBondContact O-N 3.39Å
915S74.7Confident82.2Confident30 Ų3044.3 Ų44.321%0.2123%0.228CC..G310 helixtrans-123.612.3-172.164.60000115.6G912 K913 N917 F918 Y919G912-S915 PolarHBondContact O-N 3.1Å; G912-S915 PolarHBondContact O-OG 2.94Å; K913-S915 PolarHBondContact O-N 2.72Å; S915-N917 PolarHBondContact O-N 3.5Å; S915-F918 PolarHBondContact O-N 3.19Å; S915-F918 VanDerWaalsContact O-N 3.16Å; S915-Y919 WeakPolarHBondContact O-CB 3.36Å; S915-Y919 PolarHBondContact O-N 2.78Å
916D84.3Confident81.9Confident16 Ų1644.5 Ų44.59%0.08623%0.229CC..Hα-helixtrans-61.2-43.9-172.2-68.1-7.5000113.2E684 V687 R691 F918 Y919 M920E684-D916 HydrophobicContact CG-CB 4.41Å; V687-D916 HydrophobicContact CB-CB 4.15Å; V687-D916 HydrophobicContact CG1-CB 4.3Å; V687-D916 WeakPolarHBondContact CG1-OD1 3.44Å; V687-D916 HydrophobicContact CG2-CB 4.08Å; R691-D916 IonicContact CZ-OD1 3.25Å; R691-D916 IonicContact NH2-OD1 3.5Å; R691-D916 PolarHBondContact NH2-OD1 2.9Å; D916-F918 PolarHBondContact O-N 2.83Å; D916-Y919 WeakPolarHBondContact O-CB 3.5Å; D916-Y919 PolarHBondContact O-N 3.18Å; D916-M920 WeakPolarHBondContact O-CG 3.45Å; D916-M920 PolarHBondContact O-N 2.74Å
917N84.1Confident82.1Confident76 Ų7644.2 Ų44.241%0.40623%0.228SC..Hα-helixtrans-64.9-39.7176.1-74.3-39.8000112.4A683 S915 M920 D921A683-N917 WeakPolarHBondContact CB-OD1 3.22Å; S915-N917 PolarHBondContact O-N 3.5Å; N917-M920 PolarHBondContact O-N 3.41Å; N917-D921 PolarHBondContact O-N 2.86Å
918F82.6Confident82.2Confident105 Ų10548.7 Ų48.746%0.46125%0.25SC..Hα-helixtrans-67.5-37.2176.9-65-58.9000112.5T879 S915 D916 M920 D921 Y922T879-F918 HydrophobicContact CG2-CB 4.07Å; T879-F918 HydrophobicContact CG2-CD1 3.58Å; T879-F918 HydrophobicContact CG2-CE1 4.1Å; T879-F918 HydrophobicContact CG2-CG 3.82Å; S915-F918 PolarHBondContact O-N 3.19Å; S915-F918 VanDerWaalsContact O-N 3.16Å; D916-F918 PolarHBondContact O-N 2.83Å; F918-M920 VanDerWaalsContact C-N 3.31Å; F918-D921 PolarHBondContact O-N 3.04Å; F918-Y922 WeakPolarHBondContact O-CB 3.47Å; F918-Y922 PolarHBondContact O-N 3.01Å
919Y85.9Confident82.4Confident16 Ų1654.5 Ų54.56%0.06328%0.28CS..Hα-helixtrans-60.4-44.8172.9171.6-92.7000110.6V687 I690 L907 P908 P910 S915 D916 Y922 I923V687-Y919 HydrophobicContact CG2-CD1 3.56Å; V687-Y919 HydrophobicContact CG2-CE1 4.06Å; V687-Y919 HydrophobicContact CG2-CG 4.48Å; I690-Y919 HydrophobicContact CD1-CE1 3.67Å; I690-Y919 WeakPolarHBondContact CD1-OH 3.35Å; L907-Y919 VanDerWaalsContact CD1-OH 3.24Å; L907-Y919 WeakPolarHBondContact CD1-OH 3.35Å; P908-Y919 PolarHBondContact O-OH 2.97Å; P910-Y919 VanDerWaalsContact CA-CD2 3.49Å; P910-Y919 HydrophobicContact CB-CD1 4.27Å; P910-Y919 HydrophobicContact CB-CD2 3.78Å; P910-Y919 HydrophobicContact CB-CE1 4.42Å; P910-Y919 HydrophobicContact CB-CE2 3.93Å; P910-Y919 HydrophobicContact CB-CG 3.94Å; S915-Y919 WeakPolarHBondContact O-CB 3.36Å; S915-Y919 PolarHBondContact O-N 2.78Å; D916-Y919 WeakPolarHBondContact O-CB 3.5Å; D916-Y919 PolarHBondContact O-N 3.18Å; Y919-Y922 WeakPolarHBondContact O-CB 3.49Å; Y919-Y922 PolarHBondContact O-N 3.42Å; Y919-I923 HydrophobicContact CE1-CG1 4.12Å; Y919-I923 HydrophobicContact CE2-CD1 4.4Å; Y919-I923 HydrophobicContact CE2-CG1 4.3Å; Y919-I923 WeakPolarHBondContact O-CG1 3.39Å; Y919-I923 PolarHBondContact O-N 2.93Å; Y919-I923 VanDerWaalsContact O-N 3.11Å
920M88.6Confident82.9Confident0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-63.1-43.9176.4-68.5-63.7-71.700112.1W672 P673 W676 A683 F686 V687 D916 N917 F918 Y922 I923 E924W672-M920 HydrophobicContact CH2-CE 3.47Å; W672-M920 VanDerWaalsContact CH2-CE 3.47Å; W672-M920 HydrophobicContact CH2-SD 3.68Å; W672-M920 HydrophobicContact CZ2-CE 3.37Å; W672-M920 HydrophobicContact CZ2-SD 4.18Å; W672-M920 HydrophobicContact CZ3-CE 4.16Å; W672-M920 HydrophobicContact CZ3-SD 4.3Å; P673-M920 HydrophobicContact CG-CE 3.61Å; W676-M920 HydrophobicContact CB-CE 4.36Å; W676-M920 HydrophobicContact CD2-CB 4.12Å; W676-M920 HydrophobicContact CD2-CE 3.89Å; W676-M920 HydrophobicContact CE3-CB 3.95Å; W676-M920 HydrophobicContact CE3-CG 4.37Å; W676-M920 HydrophobicContact CG-CE 3.79Å; W676-M920 HydrophobicContact CH2-CB 3.32Å; W676-M920 HydrophobicContact CZ2-CB 3.52Å; W676-M920 HydrophobicContact CZ3-CB 3.56Å; W676-M920 HydrophobicContact CZ3-CG 4.34Å; A683-M920 HydrophobicContact CB-CG 3.9Å; F686-M920 HydrophobicContact CD1-CE 3.96Å; F686-M920 HydrophobicContact CD1-SD 3.47Å; F686-M920 WeakPolarHBondContact CD1-SD 3.43Å; F686-M920 HydrophobicContact CE1-CE 4.38Å; F686-M920 HydrophobicContact CE1-SD 3.89Å; F686-M920 HydrophobicContact CG-SD 4.48Å; V687-M920 HydrophobicContact CG2-CG 4.13Å; V687-M920 HydrophobicContact CG2-SD 4.14Å; D916-M920 WeakPolarHBondContact O-CG 3.45Å; D916-M920 PolarHBondContact O-N 2.74Å; N917-M920 PolarHBondContact O-N 3.41Å; F918-M920 VanDerWaalsContact C-N 3.31Å; M920-Y922 VanDerWaalsContact C-N 3.35Å; M920-Y922 PolarHBondContact O-N 3.34Å; M920-I923 PolarHBondContact O-N 3.49Å; M920-E924 WeakPolarHBondContact O-CB 3.34Å; M920-E924 PolarHBondContact O-N 2.84Å
921D87.3Confident83.2Confident44 Ų4455.3 Ų55.324%0.23529%0.285CS..Hα-helixtrans-61-41.4174.6-81.4-39.3000112.1W676 K677 N917 F918 I923 E924 T925W676-D921 WeakPolarHBondContact CH2-OD1 3.44Å; K677-D921 WeakPolarHBondContact CE-OD1 3.37Å; K677-D921 IonicContact NZ-OD1 2.77Å; K677-D921 PolarHBondContact NZ-OD1 3.35Å; N917-D921 PolarHBondContact O-N 2.86Å; F918-D921 PolarHBondContact O-N 3.04Å; D921-I923 PolarHBondContact O-N 3.39Å; D921-E924 PolarHBondContact O-N 3.17Å; D921-T925 WeakPolarHBondContact O-CB 3.19Å; D921-T925 PolarHBondContact O-N 2.97Å; D921-T925 PolarHBondContact O-OG1 2.87Å
922Y86.1Confident84.2Confident28 Ų2852 Ų5211%0.1127%0.273CS..Hα-helixtrans-58.6-46.4176.1173.2-85.8000112.1S794 C882 A886 P908 F918 Y919 M920 T925 L926S794-Y922 PolarHBondContact OG-OH 3.16Å; S794-Y922 VanDerWaalsContact OG-OH 3.14Å; C882-Y922 HydrophobicContact CB-CD2 4.08Å; C882-Y922 HydrophobicContact CB-CE2 4.3Å; C882-Y922 WeakPolarHBondContact O-CD2 3.35Å; C882-Y922 WeakPolarHBondContact O-CE2 3.13Å; A886-Y922 HydrophobicContact CB-CD2 3.8Å; A886-Y922 HydrophobicContact CB-CE2 3.7Å; A886-Y922 HydrophobicContact CB-CG 4.41Å; P908-Y922 HydrophobicContact CG-CE1 4.02Å; F918-Y922 WeakPolarHBondContact O-CB 3.47Å; F918-Y922 PolarHBondContact O-N 3.01Å; Y919-Y922 WeakPolarHBondContact O-CB 3.49Å; Y919-Y922 PolarHBondContact O-N 3.42Å; M920-Y922 VanDerWaalsContact C-N 3.35Å; M920-Y922 PolarHBondContact O-N 3.34Å; Y922-T925 PolarHBondContact O-N 2.89Å; Y922-L926 HydrophobicContact CE1-CD2 4.34Å; Y922-L926 WeakPolarHBondContact O-CB 3.5Å; Y922-L926 PolarHBondContact O-N 3.39Å
923I89.6Confident85.5Confident0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-68.9-38.2178.4-59.6-62.3000111.1W672 L907 P908 Y919 M920 D921 L926 T927 L935W672-I923 HydrophobicContact CH2-CB 3.75Å; W672-I923 HydrophobicContact CH2-CG2 3.43Å; W672-I923 VanDerWaalsContact CH2-CG2 3.43Å; W672-I923 HydrophobicContact CZ2-CG2 4.27Å; W672-I923 HydrophobicContact CZ3-CB 4.37Å; W672-I923 HydrophobicContact CZ3-CG2 3.66Å; L907-I923 HydrophobicContact CD1-CD1 4.26Å; P908-I923 VanDerWaalsContact CD-CD1 3.49Å; P908-I923 HydrophobicContact CG-CD1 4.01Å; Y919-I923 HydrophobicContact CE1-CG1 4.12Å; Y919-I923 HydrophobicContact CE2-CD1 4.4Å; Y919-I923 HydrophobicContact CE2-CG1 4.3Å; Y919-I923 WeakPolarHBondContact O-CG1 3.39Å; Y919-I923 PolarHBondContact O-N 2.93Å; Y919-I923 VanDerWaalsContact O-N 3.11Å; M920-I923 PolarHBondContact O-N 3.49Å; D921-I923 PolarHBondContact O-N 3.39Å; I923-L926 PolarHBondContact O-N 3.25Å; I923-T927 PolarHBondContact O-N 3.04Å; I923-T927 PolarHBondContact O-OG1 2.93Å; I923-L935 HydrophobicContact CG2-CD1 3.64Å
924E89.6Confident87Confident50 Ų5042.6 Ų42.623%0.23422%0.217CC..Hα-helixtrans-61.4-46.2176.5-160.968.7-120.900110.7W672 W676 K704 M920 D921 T927 M928W672-E924 PolarHBondContact NE1-OE2 3.29Å; W676-E924 HydrophobicContact CZ2-CB 4.41Å; W676-E924 PolarHBondContact NE1-OE2 3.41Å; K704-E924 WeakPolarHBondContact CE-OE1 3.3Å; K704-E924 IonicContact NZ-OE1 2.72Å; K704-E924 PolarHBondContact NZ-OE1 3.19Å; M920-E924 WeakPolarHBondContact O-CB 3.34Å; M920-E924 PolarHBondContact O-N 2.84Å; D921-E924 PolarHBondContact O-N 3.17Å; E924-T927 CarbonylContact O-C 3.59Å; E924-T927 PolarHBondContact O-N 3.18Å; E924-M928 PolarHBondContact O-N 3.31Å
925T88.2Confident88.3Confident33 Ų3335.4 Ų35.420%0.20218%0.179CC..Hα-helixtrans-62.8-41.6174.2-57.50000112.1I883 A886 N890 D921 Y922 T927I883-T925 HydrophobicContact CG2-CG2 4.12Å; A886-T925 HydrophobicContact CB-CG2 4.07Å; N890-T925 WeakPolarHBondContact CB-O 3.24Å; D921-T925 WeakPolarHBondContact O-CB 3.19Å; D921-T925 PolarHBondContact O-N 2.97Å; D921-T925 PolarHBondContact O-OG1 2.87Å; Y922-T925 PolarHBondContact O-N 2.89Å; T925-T927 PolarHBondContact O-N 3.17Å
926L87.3Confident89.2Confident4 Ų434 Ų342%0.02117%0.169CC..Hα-helixtrans-63.4-26.9177.9-179.460.6000113A886 L889 N890 I893 Y922 I923A886-L926 HydrophobicContact CB-CB 4.2Å; L889-L926 HydrophobicContact CB-CD1 4.04Å; L889-L926 HydrophobicContact CD2-CD1 3.59Å; L889-L926 HydrophobicContact CG-CD1 3.76Å; N890-L926 WeakPolarHBondContact CB-O 3.27Å; N890-L926 VanDerWaalsContact ND2-C 3.31Å; N890-L926 PolarHBondContact ND2-O 3.38Å; I893-L926 HydrophobicContact CD1-CD1 4.07Å; Y922-L926 HydrophobicContact CE1-CD2 4.34Å; Y922-L926 WeakPolarHBondContact O-CB 3.5Å; Y922-L926 PolarHBondContact O-N 3.39Å; I923-L926 PolarHBondContact O-N 3.25Å
927T90.8Very high89.4Confident0 Ų034.7 Ų34.70%017%0.171CC..THydrogen-bonded Turntrans-119.822-173.156.70000112.9K704 L905 I923 E924 T925 V933 L935K704-T927 WeakPolarHBondContact CD-OG1 3.35Å; K704-T927 PolarHBondContact NZ-O 3.48Å; K704-T927 PolarHBondContact NZ-OG1 3.3Å; L905-T927 HydrophobicContact CD1-CG2 3.82Å; I923-T927 PolarHBondContact O-N 3.04Å; I923-T927 PolarHBondContact O-OG1 2.93Å; E924-T927 CarbonylContact O-C 3.59Å; E924-T927 PolarHBondContact O-N 3.18Å; T925-T927 PolarHBondContact O-N 3.17Å; T927-V933 HydrophobicContact CG2-CG1 3.93Å; T927-L935 HydrophobicContact CG2-CD2 4.02Å
928M90.2Very high89.5Confident95 Ų9531.4 Ų31.447%0.46816%0.156SC..THydrogen-bonded Turntrans-66.9140.1178.1-163.7171.271.500110.2N890 Q894 E924 L930N890-M928 PolarHBondContact ND2-N 3.17Å; N890-M928 VanDerWaalsContact ND2-N 3.16Å; N890-M928 PolarHBondContact ND2-O 3.16Å; Q894-M928 PolarHBondContact NE2-O 3.44Å; E924-M928 PolarHBondContact O-N 3.31Å; M928-L930 PolarHBondContact O-N 3.02Å
929D88.8Confident89.5Confident133 Ų13328.7 Ų28.771%0.71115%0.148SC*.THydrogen-bonded Turntrans5218.2-178.1-44.7-48.6000116.3
930L91Very high88.9Confident7 Ų730.1 Ų30.14%0.03717%0.167CC..  trans-93.1133.4169.7-58.9-177.6000109.6N705 I893 Q894 I903 L905 M928 V933N705-L930 PolarHBondContact ND2-O 3.43Å; N705-L930 VanDerWaalsContact ND2-O 3.08Å; I893-L930 HydrophobicContact CG2-CD1 3.69Å; I893-L930 HydrophobicContact CG2-CD2 4.05Å; Q894-L930 HydrophobicContact CG-CD2 3.87Å; I903-L930 HydrophobicContact CD1-CB 4.44Å; I903-L930 HydrophobicContact CD1-CD1 4.09Å; I903-L930 HydrophobicContact CD1-CD2 3.83Å; I903-L930 HydrophobicContact CD1-CG 4.34Å; L905-L930 HydrophobicContact CD1-CD1 4.28Å; M928-L930 PolarHBondContact O-N 3.02Å; L930-V933 HydrophobicContact CB-CG2 3.39Å; L930-V933 HydrophobicContact CD1-CG2 3.99Å; L930-V933 HydrophobicContact CG-CG2 4.35Å
931D87.7Confident88Confident72 Ų7237.8 Ų37.839%0.38520%0.196SC..SBendtrans-75.4-81.8-176.2-176.122.6000112.3N705 H708N705-D931 WeakPolarHBondContact CB-O 3.28Å; N705-D931 PolarHBondContact ND2-O 2.77Å; H708-D931 VanDerWaalsContact CB-OD1 3.25Å; H708-D931 WeakPolarHBondContact CB-OD1 3.41Å; H708-D931 IonicContact CE1-OD1 2.76Å; H708-D931 IonicContact CG-OD1 3.94Å; H708-D931 IonicContact ND1-OD1 3.8Å; H708-D931 PolarHBondContact ND1-OD1 2.87Å
932R93.9Very high87.3Confident35 Ų3535.9 Ų35.913%0.13219%0.186CC..SBendtrans-9799.5-177.5-54.4-169.9-161.6112.12.3111.1H708 F709 Q901 L902 I903H708-R932 HydrophobicContact CB-CG 4.2Å; H708-R932 WeakPolarHBondContact O-CD 3.25Å; H708-R932 PolarHBondContact O-NE 3.03Å; F709-R932 HydrophobicContact CE2-CB 4.08Å; F709-R932 HydrophobicContact CZ-CB 4.13Å; Q901-R932 VanDerWaalsContact O-CD 3.3Å; Q901-R932 WeakPolarHBondContact O-CD 3.33Å; Q901-R932 PolarHBondContact O-NH1 3.35Å; L902-R932 HydrophobicContact CD1-CB 4.05Å; I903-R932 PolarHBondContact N-O 3.09Å
933V94.8Very high86.1Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-114.6131.5-179.4-176.80000111.3K704 I903 L905 T927 L930 L935K704-V933 HydrophobicContact CB-CB 4.2Å; K704-V933 PolarHBondContact N-O 3.01Å; I903-V933 WeakPolarHBondContact O-CA 3.42Å; L905-V933 HydrophobicContact CD1-CG1 3.9Å; T927-V933 HydrophobicContact CG2-CG1 3.93Å; L930-V933 HydrophobicContact CB-CG2 3.39Å; L930-V933 HydrophobicContact CD1-CG2 3.99Å; L930-V933 HydrophobicContact CG-CG2 4.35Å; V933-L935 HydrophobicContact CG1-CD2 4.05Å; V933-L935 HydrophobicContact CG1-CG 4.29Å
934V95.2Very high84.3Confident0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-115.1111.9172.1-176.40000109F591 I701 V702 L703 F709 L902 I903 F904 L905 V936F591-V934 HydrophobicContact CE2-CG2 4.26Å; F591-V934 HydrophobicContact CZ-CG1 4.39Å; F591-V934 HydrophobicContact CZ-CG2 3.91Å; I701-V934 HydrophobicContact CG2-CG1 3.47Å; I701-V934 VanDerWaalsContact CG2-CG1 3.47Å; V702-V934 WeakPolarHBondContact O-CA 3.37Å; L703-V934 HydrophobicContact CG-CG2 4.42Å; F709-V934 HydrophobicContact CE1-CG2 3.79Å; F709-V934 HydrophobicContact CZ-CG2 3.65Å; L902-V934 HydrophobicContact CD1-CG2 3.63Å; L902-V934 HydrophobicContact CG-CG2 4.49Å; I903-V934 PolarHBondContact O-N 3.02Å; F904-V934 WeakPolarHBondContact CA-O 3.18Å; F904-V934 HydrophobicContact CD1-CB 3.61Å; F904-V934 HydrophobicContact CD1-CG1 3.73Å; F904-V934 HydrophobicContact CD1-CG2 4.46Å; F904-V934 HydrophobicContact CE1-CB 3.7Å; F904-V934 HydrophobicContact CE1-CG1 3.57Å; F904-V934 HydrophobicContact CE1-CG2 4.16Å; F904-V934 HydrophobicContact CG-CB 4.48Å; L905-V934 PolarHBondContact N-O 3.12Å; V934-V936 HydrophobicContact CG1-CG2 3.83Å
935L94.3Very high82.2Confident0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans-88.8125.4175.6-54.1165.1000109W672 I701 V702 L905 L907 I923 T927 V933W672-L935 HydrophobicContact CE3-CD1 4.05Å; W672-L935 HydrophobicContact CZ3-CD1 3.93Å; I701-L935 CarbonylContact C-O 3.57Å; I701-L935 WeakPolarHBondContact CA-O 3.3Å; V702-L935 HydrophobicContact CB-CB 4.14Å; V702-L935 PolarHBondContact N-O 3.4Å; V702-L935 PolarHBondContact O-N 3.21Å; L905-L935 HydrophobicContact CB-CD2 3.91Å; L905-L935 CarbonylContact O-C 3.44Å; L905-L935 VanDerWaalsContact O-CA 3.28Å; L905-L935 WeakPolarHBondContact O-CA 3.48Å; L907-L935 HydrophobicContact CB-CB 4.07Å; L907-L935 HydrophobicContact CD1-CB 3.93Å; L907-L935 HydrophobicContact CD1-CD1 3.93Å; L907-L935 HydrophobicContact CD1-CG 4.41Å; L907-L935 HydrophobicContact CG-CB 4.47Å; I923-L935 HydrophobicContact CG2-CD1 3.64Å; T927-L935 HydrophobicContact CG2-CD2 4.02Å; V933-L935 HydrophobicContact CG1-CD2 4.05Å; V933-L935 HydrophobicContact CG1-CG 4.29Å
936V92.3Very high80.1Confident0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-122.8133.4-173.2-175.10000111.1L700 I731 M732 L735 F904 L905 N906 L907 V934L700-V936 CarbonylContact O-C 3.57Å; L700-V936 WeakPolarHBondContact O-CA 3.44Å; I731-V936 HydrophobicContact CD1-CG1 4.29Å; I731-V936 HydrophobicContact CG1-CG1 4.43Å; I731-V936 HydrophobicContact CG2-CG1 3.63Å; M732-V936 HydrophobicContact CG-CB 3.78Å; M732-V936 HydrophobicContact CG-CG1 4.09Å; M732-V936 HydrophobicContact CG-CG2 3.99Å; M732-V936 HydrophobicContact SD-CB 4.33Å; L735-V936 HydrophobicContact CD1-CG1 4.15Å; L735-V936 HydrophobicContact CD1-CG2 3.91Å; F904-V936 HydrophobicContact CD1-CG2 3.77Å; F904-V936 HydrophobicContact CE1-CG2 4.25Å; L905-V936 PolarHBondContact O-N 3.47Å; N906-V936 CarbonylContact C-O 3.55Å; N906-V936 WeakPolarHBondContact CA-O 3.15Å; L907-V936 PolarHBondContact N-O 3.33Å; V934-V936 HydrophobicContact CG1-CG2 3.83Å
937K89.2Confident77.6Confident30 Ų3048.1 Ų48.113%0.1325%0.251CS..EExtended strand (participates in β ladder)trans-119.2120.6167.8-176.167.9-179.2170.30108.8A699 L700 D728 L907 E909A699-K937 CarbonylContact C-O 3.59Å; A699-K937 VanDerWaalsContact CA-O 3.29Å; A699-K937 WeakPolarHBondContact CA-O 3.41Å; L700-K937 HydrophobicContact CB-CB 4.15Å; L700-K937 PolarHBondContact N-O 3.01Å; L700-K937 PolarHBondContact O-N 2.91Å; D728-K937 IonicContact OD2-NZ 3.71Å; L907-K937 HydrophobicContact CB-CB 4.28Å; L907-K937 WeakPolarHBondContact O-CD 3.5Å; E909-K937 WeakPolarHBondContact OE1-CE 3.41Å; E909-K937 IonicContact OE1-NZ 2.94Å; E909-K937 PolarHBondContact OE1-NZ 3.34Å
938G86Confident74.9Confident8 Ų851.2 Ų51.28%0.08227%0.272CS..  trans-89.3167.3175.500000112.1D728D728-G938 VanDerWaalsContact CG-N 3.28Å; D728-G938 PolarHBondContact OD2-N 2.82Å
939T81.8Confident74.2Confident47 Ų4749.1 Ų49.129%0.28826%0.263SS..  trans-103.7-11.8171.368.10000112.1K697 K698 R941 E942K697-T939 VanDerWaalsContact O-CG2 3.28Å; K697-T939 WeakPolarHBondContact O-CG2 3.48Å; K698-T939 WeakPolarHBondContact O-CG2 2.94Å; T939-R941 VanDerWaalsContact C-N 3.28Å; T939-R941 PolarHBondContact OG1-N 3.27Å; T939-E942 VanDerWaalsContact CB-OE1 3.27Å; T939-E942 WeakPolarHBondContact CB-OE1 3.38Å; T939-E942 VanDerWaalsContact CG2-OE1 3.31Å; T939-E942 WeakPolarHBondContact CG2-OE1 3.45Å; T939-E942 VanDerWaalsContact N-CD 3.35Å; T939-E942 PolarHBondContact N-OE1 3.23Å; T939-E942 PolarHBondContact N-OE2 3.05Å; T939-E942 PolarHBondContact OG1-OE1 3.26Å; T939-E942 PolarHBondContact OG1-OE2 3.04Å
940G73.4Confident73.4Confident46 Ų4644.6 Ų44.647%0.47424%0.239SC..SBendtrans86.7-9.4-17400000113.6E942G940-E942 PolarHBondContact N-OE2 2.91Å
941R69.6Low72.4Confident162 Ų16246.7 Ų46.761%0.61125%0.25SS*.SBendtrans-83.4-16.5177-66.9-179171.8-177-5.1113.2T939 V943T939-R941 VanDerWaalsContact C-N 3.28Å; T939-R941 PolarHBondContact OG1-N 3.27Å; R941-V943 VanDerWaalsContact C-N 3.31Å
942E72.7Confident71.5Confident4 Ų445.2 Ų45.22%0.01924%0.242CC..SBendtrans-80.9-16.6-175.5-49.887.3173.100112.3W566 I731 T939 G940 V944W566-E942 HydrophobicContact CD2-CB 4.1Å; W566-E942 HydrophobicContact CD2-CG 4.12Å; W566-E942 VanDerWaalsContact CE2-CG 3.45Å; W566-E942 HydrophobicContact CE3-CB 4.15Å; W566-E942 HydrophobicContact CE3-CG 4.47Å; W566-E942 HydrophobicContact CH2-CB 4.01Å; W566-E942 HydrophobicContact CH2-CG 3.68Å; W566-E942 HydrophobicContact CZ2-CB 3.94Å; W566-E942 HydrophobicContact CZ2-CG 3.23Å; W566-E942 HydrophobicContact CZ3-CB 4.11Å; W566-E942 HydrophobicContact CZ3-CG 4.27Å; I731-E942 HydrophobicContact CB-CB 4.16Å; I731-E942 HydrophobicContact CD1-CB 4.32Å; I731-E942 HydrophobicContact CD1-CG 3.88Å; I731-E942 HydrophobicContact CG1-CB 4.31Å; I731-E942 HydrophobicContact CG1-CG 4.41Å; T939-E942 VanDerWaalsContact CB-OE1 3.27Å; T939-E942 WeakPolarHBondContact CB-OE1 3.38Å; T939-E942 VanDerWaalsContact CG2-OE1 3.31Å; T939-E942 WeakPolarHBondContact CG2-OE1 3.45Å; T939-E942 VanDerWaalsContact N-CD 3.35Å; T939-E942 PolarHBondContact N-OE1 3.23Å; T939-E942 PolarHBondContact N-OE2 3.05Å; T939-E942 PolarHBondContact OG1-OE1 3.26Å; T939-E942 PolarHBondContact OG1-OE2 3.04Å; G940-E942 PolarHBondContact N-OE2 2.91Å; E942-V944 PolarHBondContact O-N 3.49Å
943V61.6Low70.1Confident34 Ų3445.9 Ų45.921%0.20625%0.249CC..SBendtrans-69.3121.4-177.6-172.50000108.6R941 T945R941-V943 VanDerWaalsContact C-N 3.31Å; V943-T945 PolarHBondContact O-N 3.26Å
944V51.4Low68.5Low61 Ų6148.9 Ų48.937%0.3727%0.266SS..  trans-62.989.4166.5-177.60000107.1L776 E942 I946L776-V944 HydrophobicContact CD2-CB 3.98Å; L776-V944 HydrophobicContact CD2-CG1 4.33Å; E942-V944 PolarHBondContact O-N 3.49Å; V944-I946 PolarHBondContact O-N 3.26Å; V944-I946 VanDerWaalsContact O-N 3.13Å
945T46.5Very low66.6Low59 Ų5952.4 Ų52.436%0.36229%0.285SS..  trans-67.7111.9168.442.60000107V943 F947 S948V943-T945 PolarHBondContact O-N 3.26Å; T945-F947 PolarHBondContact O-N 3.39Å; T945-S948 PolarHBondContact O-N 3.29Å; T945-S948 PolarHBondContact O-OG 3.06Å; T945-S948 WeakPolarHBondContact OG1-CB 3.38Å; T945-S948 PolarHBondContact OG1-OG 2.93Å
946I43.1Very low64.4Low44 Ų4456.5 Ų56.523%0.22631%0.307CS..THydrogen-bonded Turntrans-50.8-28.6-175.1-66.5156.5000112.5F772 Y775 M823 V944F772-I946 HydrophobicContact CD2-CD1 4.02Å; F772-I946 HydrophobicContact CE2-CD1 4.14Å; Y775-I946 HydrophobicContact CD2-CD1 4.24Å; Y775-I946 HydrophobicContact CG-CD1 4.16Å; M823-I946 HydrophobicContact CE-CB 4.43Å; V944-I946 PolarHBondContact O-N 3.26Å; V944-I946 VanDerWaalsContact O-N 3.13Å
947F35.8Very low62.1Low173 Ų17361.2 Ų61.276%0.75933%0.332SS*.THydrogen-bonded Turntrans-122.143.3179-64.3-74.6000113.3M823 T945M823-F947 HydrophobicContact CE-CD2 3.51Å; M823-F947 HydrophobicContact CE-CE2 4.06Å; T945-F947 PolarHBondContact O-N 3.39Å
948S34.2Very low59.6Low66 Ų6664 Ų6446%0.46235%0.351SS..  trans-84.70156.248.50000111H562 T563 K564 T945H562-S948 VanDerWaalsContact CE1-CB 3.41Å; H562-S948 WeakPolarHBondContact CE1-CB 3.39Å; H562-S948 PolarHBondContact CE1-OG 3.24Å; H562-S948 VanDerWaalsContact CE1-OG 3.27Å; T563-S948 PolarHBondContact OG1-OG 3.46Å; K564-S948 WeakPolarHBondContact CE-O 3.4Å; K564-S948 PolarHBondContact NZ-O 3.16Å; T945-S948 PolarHBondContact O-N 3.29Å; T945-S948 PolarHBondContact O-OG 3.06Å; T945-S948 WeakPolarHBondContact OG1-CB 3.38Å; T945-S948 PolarHBondContact OG1-OG 2.93Å

Retrieved 948 of 948 residues in 498.1 ms (Link to these results)

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