A0A087YPJ5_POEFO Loading...

Ras-related protein Rab-14

AlphaFold DB , UniProt , Accession A0A087YPJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M34.1Very low52.8Low244 Ų24497.7 Ų97.7100%1.20255%0.553SS**  0106.10-72.7175.4179.400107.5T3M1-T3 PolarHBondContact O-N 3.1Å
2A33.6Very low54.5Low104 Ų10489.6 Ų89.686%0.8651%0.507SS*.PPolyproline II helixtrans-70123.217900000108.9A4A2-A4 PolarHBondContact O-N 3.13Å
3T38Very low55.1Low129 Ų12986.2 Ų86.279%0.79148%0.483SS*.PPolyproline II helixtrans-59.1118.1173.9350000108.7M1M1-T3 PolarHBondContact O-N 3.1Å
4A41.6Very low55.6Low75 Ų7584.3 Ų84.362%0.6247%0.465SS*.PPolyproline II helixtrans-51.9135175.300000109.2A2 Y6A2-A4 PolarHBondContact O-N 3.13Å; A4-Y6 PolarHBondContact O-N 3.15Å
5P48Very low56Low117 Ų11778.7 Ų78.776%0.7644%0.435SS*.  trans-62.4112.1174.925.5-30.2000106.4N7P5-N7 VanDerWaalsContact C-N 3.34Å; P5-N7 PolarHBondContact O-N 3.41Å
6Y53Low56.8Low173 Ų17373.8 Ų73.868%0.67841%0.408SS*.  trans-56.2102.3174.8-71-85.7000107.4A4 Y8 I53A4-Y6 PolarHBondContact O-N 3.15Å; Y6-Y8 WeakPolarHBondContact O-CD1 3.48Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.45Å; Y6-Y8 PolarHBondContact O-N 3.44Å; Y6-I53 HydrophobicContact CD1-CD1 3.78Å; Y6-I53 HydrophobicContact CG-CD1 3.81Å
7N59.7Low57.6Low117 Ų11769.5 Ų69.563%0.62638%0.384SS*.  trans-73.4106.6176.7-122.315.5000106.6P5 K60P5-N7 VanDerWaalsContact C-N 3.34Å; P5-N7 PolarHBondContact O-N 3.41Å; N7-K60 WeakPolarHBondContact O-CD 3.32Å
8Y63.8Low58.6Low46 Ų4665.7 Ų65.718%0.1836%0.363CS..  trans-126.3136.6175.155.2-98.5000108.9Y6 I11 I53 K60 K62 K194Y6-Y8 WeakPolarHBondContact O-CD1 3.48Å; Y6-Y8 WeakPolarHBondContact O-CE1 3.45Å; Y6-Y8 PolarHBondContact O-N 3.44Å; Y8-I11 HydrophobicContact CD2-CD1 4.45Å; Y8-I11 HydrophobicContact CD2-CG1 3.77Å; Y8-I11 HydrophobicContact CE2-CD1 3.57Å; Y8-I11 HydrophobicContact CE2-CG1 3.35Å; Y8-I53 HydrophobicContact CD1-CD1 4.35Å; Y8-K60 WeakPolarHBondContact CA-O 3.41Å; Y8-K62 HydrophobicContact CD2-CB 4.28Å; Y8-K62 HydrophobicContact CE1-CD 4.28Å; Y8-K62 HydrophobicContact CG-CB 4.24Å; Y8-K194 HydrophobicContact CE2-CD 3.68Å; Y8-K194 HydrophobicContact CE2-CG 4.25Å; Y8-K194 PolarHBondContact OH-NZ 3.28Å
9S65.9Low59.7Low27 Ų2762.3 Ų62.319%0.18934%0.344CS..SBendtrans-87-34.1-174.9-48.70000111.3Q59 K60 H193 K194S9-Q59 PolarHBondContact OG-OE1 3.35Å; S9-K60 PolarHBondContact N-O 3.47Å; S9-H193 PolarHBondContact O-CD2 3.31Å; S9-K194 PolarHBondContact O-N 3.14Å
10Y70.1Confident60.8Low34 Ų3460.5 Ų60.513%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-128.2143.9-178.9-62.9-89.6000111.2F12 I61 K62 Y174 L184 V191 H193Y10-F12 HydrophobicContact CD1-CE1 4.49Å; Y10-F12 HydrophobicContact CG-CE1 4.37Å; Y10-I61 CarbonylContact O-C 3.58Å; Y10-I61 WeakPolarHBondContact O-CA 3.04Å; Y10-K62 PolarHBondContact O-N 3.07Å; Y10-Y174 HydrophobicContact CD2-CE2 4.17Å; Y10-Y174 AromaticContact CE2-CE2 3.79Å; Y10-Y174 HydrophobicContact CE2-CE2 3.79Å; Y10-L184 HydrophobicContact CE1-CD1 4.36Å; Y10-L184 HydrophobicContact CE1-CD2 4.45Å; Y10-V191 HydrophobicContact CD1-CG1 4.17Å; Y10-H193 HydrophobicContact CD1-CB 4.21Å; Y10-H193 AromaticContact CD1-CD2 3.77Å; Y10-H193 HydrophobicContact CE1-CB 4.11Å; Y10-H193 AromaticContact CE1-CD2 3.33Å; Y10-H193 WeakPolarHBondContact CE1-CD2 3.39Å; Y10-H193 AromaticContact CZ-CD2 3.45Å; Y10-H193 VanDerWaalsContact CZ-CD2 3.45Å
11I73.5Confident61.8Low9 Ų960.5 Ų60.55%0.04633%0.332CS..EExtended strand (participates in β ladder)trans-111.2117.6163.7-58.2164.7000106.2Y8 K13 K62 Q64 Q192 K194Y8-I11 HydrophobicContact CD2-CD1 4.45Å; Y8-I11 HydrophobicContact CD2-CG1 3.77Å; Y8-I11 HydrophobicContact CE2-CD1 3.57Å; Y8-I11 HydrophobicContact CE2-CG1 3.35Å; I11-K13 HydrophobicContact CG2-CG 4.28Å; I11-K13 PolarHBondContact O-N 3.19Å; I11-K62 CarbonylContact C-O 3.54Å; I11-K62 WeakPolarHBondContact CA-O 3.44Å; I11-K62 HydrophobicContact CG1-CB 4.28Å; I11-Q64 HydrophobicContact CG2-CG 4.11Å; I11-Q192 HydrophobicContact CB-CB 4.24Å; I11-Q192 HydrophobicContact CD1-CB 4.48Å; I11-Q192 PolarHBondContact N-O 3.2Å; I11-Q192 PolarHBondContact O-N 3.34Å; I11-K194 HydrophobicContact CD1-CD 4.44Å; I11-K194 HydrophobicContact CD1-CG 4.37Å
12F73.5Confident64Low0 Ų051 Ų510%030%0.298CS..EExtended strand (participates in β ladder)trans-91.5103.4167-65.8-8.1000107.2Y10 I61 K62 L63 Q64 A170 I173 Y174 I177 V191Y10-F12 HydrophobicContact CD1-CE1 4.49Å; Y10-F12 HydrophobicContact CG-CE1 4.37Å; F12-I61 HydrophobicContact CB-CG2 4.2Å; F12-I61 HydrophobicContact CD1-CG2 3.8Å; F12-I61 HydrophobicContact CD2-CD1 4.5Å; F12-I61 HydrophobicContact CD2-CG2 3.53Å; F12-I61 HydrophobicContact CE1-CD1 4.36Å; F12-I61 HydrophobicContact CE1-CG2 3.99Å; F12-I61 HydrophobicContact CE2-CD1 3.67Å; F12-I61 HydrophobicContact CE2-CG2 3.73Å; F12-I61 HydrophobicContact CG-CG2 3.56Å; F12-I61 HydrophobicContact CZ-CD1 3.6Å; F12-I61 HydrophobicContact CZ-CG2 3.97Å; F12-K62 PolarHBondContact N-O 2.89Å; F12-L63 HydrophobicContact CB-CD2 3.77Å; F12-L63 HydrophobicContact CD2-CD2 3.81Å; F12-L63 HydrophobicContact CG-CD2 4.21Å; F12-Q64 PolarHBondContact O-N 3.49Å; F12-A170 HydrophobicContact CD2-CB 4.26Å; F12-A170 HydrophobicContact CE2-CB 4.22Å; F12-A170 WeakPolarHBondContact CE2-O 3.15Å; F12-I173 HydrophobicContact CD1-CG2 4.41Å; F12-I173 HydrophobicContact CD2-CB 4.3Å; F12-I173 HydrophobicContact CD2-CD1 4.47Å; F12-I173 HydrophobicContact CD2-CG2 3.97Å; F12-I173 HydrophobicContact CE1-CG2 4.21Å; F12-I173 HydrophobicContact CE2-CB 3.96Å; F12-I173 HydrophobicContact CE2-CG2 3.74Å; F12-I173 HydrophobicContact CG-CG2 4.32Å; F12-I173 HydrophobicContact CZ-CB 4.43Å; F12-I173 HydrophobicContact CZ-CG2 3.85Å; F12-Y174 HydrophobicContact CZ-CD2 4.24Å; F12-I177 HydrophobicContact CE1-CD1 3.5Å; F12-I177 VanDerWaalsContact CE1-CD1 3.5Å; F12-I177 HydrophobicContact CZ-CD1 3.71Å; F12-V191 HydrophobicContact CD1-CB 4.48Å; F12-V191 HydrophobicContact CD1-CG1 3.9Å; F12-V191 HydrophobicContact CD1-CG2 4.04Å; F12-V191 HydrophobicContact CE1-CG1 3.82Å; F12-V191 HydrophobicContact CE1-CG2 4.24Å
13K62.3Low66.5Low46 Ų4646.1 Ų46.120%0.226%0.257CS..EExtended strand (participates in β ladder)trans-84.3136.1-179.3-123.7178.7-172.8-174.70106I11 G190 Q192I11-K13 HydrophobicContact CG2-CG 4.28Å; I11-K13 PolarHBondContact O-N 3.19Å; K13-G190 CarbonylContact C-O 3.58Å; K13-G190 VanDerWaalsContact CA-O 3.28Å; K13-G190 WeakPolarHBondContact CA-O 3.27Å; K13-G190 WeakPolarHBondContact CB-O 3.44Å; K13-G190 PolarHBondContact N-O 3.16Å; K13-G190 VanDerWaalsContact O-O 3.06Å; K13-Q192 HydrophobicContact CD-CG 4.21Å; K13-Q192 VanDerWaalsContact NZ-CD 3.34Å; K13-Q192 VanDerWaalsContact NZ-NE2 3.14Å; K13-Q192 VanDerWaalsContact NZ-OE1 3.11Å
14Y61.3Low68.6Low59 Ų5940.6 Ų40.623%0.23123%0.225CC..EExtended strand (participates in β ladder)trans73.257.9165.6-43.5-77000116.3Q64 W66 G84 A85Y14-Q64 PolarHBondContact N-O 3.15Å; Y14-W66 AromaticContact CD1-NE1 3.46Å; Y14-W66 HydrophobicContact CE1-CZ2 4.35Å; Y14-G84 WeakPolarHBondContact CD2-O 3.48Å; Y14-A85 WeakPolarHBondContact O-CB 3.13Å
15I62.2Low70.8Confident1 Ų137.4 Ų37.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-82.8111.9160-71.2-171.5000108.1L63 Q64 I65 W66 G87 L89 F166I15-L63 HydrophobicContact CD1-CB 4.44Å; I15-L63 HydrophobicContact CD1-CD1 4.06Å; I15-L63 HydrophobicContact CD1-CD2 3.91Å; I15-L63 HydrophobicContact CD1-CG 4.36Å; I15-Q64 PolarHBondContact N-O 2.77Å; I15-I65 HydrophobicContact CB-CG1 4.09Å; I15-I65 HydrophobicContact CG2-CG1 4.18Å; I15-I65 HydrophobicContact CG2-CG2 4.18Å; I15-I65 CarbonylContact O-C 3.41Å; I15-I65 WeakPolarHBondContact O-CA 3.48Å; I15-W66 PolarHBondContact O-N 3.47Å; I15-G87 WeakPolarHBondContact CA-O 3.33Å; I15-L89 HydrophobicContact CB-CD1 4.37Å; I15-L89 HydrophobicContact CG2-CD1 2.88Å; I15-L89 HydrophobicContact CG2-CG 4.3Å; I15-F166 HydrophobicContact CG2-CD1 4.47Å; I15-F166 HydrophobicContact CG2-CE1 4.31Å
16I68Low72.5Confident0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-102.4130.4-175.7-51.9176.3000109.8V18 W66 T68 Y81 Y82 A85 G87 A88 L89I16-V18 HydrophobicContact CB-CG1 4.42Å; I16-V18 HydrophobicContact CG2-CG1 3.66Å; I16-W66 WeakPolarHBondContact CA-O 3.38Å; I16-T68 HydrophobicContact CG2-CG2 3.43Å; I16-T68 VanDerWaalsContact CG2-CG2 3.43Å; I16-Y81 VanDerWaalsContact CD1-C 3.43Å; I16-Y81 WeakPolarHBondContact CD1-O 3.18Å; I16-Y82 VanDerWaalsContact CD1-CA 3.41Å; I16-Y82 HydrophobicContact CD1-CD1 4.11Å; I16-Y82 HydrophobicContact CD1-CD2 4.38Å; I16-Y82 HydrophobicContact CD1-CG 3.97Å; I16-A85 HydrophobicContact CD1-CB 4Å; I16-A85 HydrophobicContact CG1-CB 4.42Å; I16-G87 PolarHBondContact N-O 3.18Å; I16-A88 CarbonylContact O-C 3.52Å; I16-A88 WeakPolarHBondContact O-CA 3Å; I16-L89 PolarHBondContact O-N 3.35Å
17I70.3Confident74.1Confident1 Ų125 Ų251%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-94.5118.2172-43.3-179.6000108.7K25 L29 I65 W66 D67 T68 L89 V91 F166I17-K25 HydrophobicContact CB-CB 4.27Å; I17-K25 HydrophobicContact CB-CD 4.38Å; I17-K25 HydrophobicContact CG2-CB 3.61Å; I17-K25 HydrophobicContact CG2-CD 3.82Å; I17-K25 HydrophobicContact CG2-CG 3.59Å; I17-L29 HydrophobicContact CD1-CB 4.09Å; I17-I65 HydrophobicContact CD1-CG2 3.92Å; I17-I65 HydrophobicContact CG1-CG2 3.96Å; I17-W66 PolarHBondContact N-O 3.22Å; I17-D67 HydrophobicContact CD1-CB 4.5Å; I17-T68 PolarHBondContact O-OG1 2.72Å; I17-L89 CarbonylContact C-O 3.54Å; I17-L89 WeakPolarHBondContact CA-O 3.28Å; I17-L89 HydrophobicContact CG1-CD1 4.33Å; I17-L89 HydrophobicContact CG2-CB 4.41Å; I17-V91 HydrophobicContact CG2-CB 4.46Å; I17-V91 HydrophobicContact CG2-CG2 3.4Å; I17-V91 VanDerWaalsContact CG2-CG2 3.4Å; I17-F166 HydrophobicContact CD1-CZ 4.24Å
18V76.9Confident75.3Confident0 Ų019.6 Ų19.60%011%0.11CC..EExtended strand (participates in β ladder)trans-121.5149.8-177.2-54.30000110.6I16 Y82 L89 M90 V91 W106I16-V18 HydrophobicContact CB-CG1 4.42Å; I16-V18 HydrophobicContact CG2-CG1 3.66Å; V18-Y82 HydrophobicContact CG1-CE1 3.9Å; V18-Y82 WeakPolarHBondContact CG1-OH 3.22Å; V18-L89 PolarHBondContact N-O 2.88Å; V18-M90 HydrophobicContact CG2-CB 4.12Å; V18-M90 HydrophobicContact CG2-CE 4.34Å; V18-M90 HydrophobicContact CG2-CG 4Å; V18-V91 PolarHBondContact O-N 3.46Å; V18-W106 HydrophobicContact CB-CE3 4.21Å
19G79.6Confident76.4Confident1 Ų117.5 Ų17.51%0.0110%0.102CC..  trans144.4173.5-178.100000112.6K25 G70G19-K25 WeakPolarHBondContact O-CE 3.37Å; G19-K25 PolarHBondContact O-NZ 3.17Å; G19-G70 VanDerWaalsContact O-CA 3.24Å; G19-G70 WeakPolarHBondContact O-CA 3.33Å
20D81.4Confident77.2Confident27 Ų2717 Ų1714%0.14410%0.096CC..  trans-65.9164.6-172.6-81.718.3000114.2V23 K25 T99 H102 W106D20-V23 HydrophobicContact CB-CG1 3.85Å; D20-V23 VanDerWaalsContact O-CG2 3.23Å; D20-V23 WeakPolarHBondContact O-CG2 3.38Å; D20-K25 PolarHBondContact O-NZ 3.18Å; D20-T99 HydrophobicContact CB-CG2 3.98Å; D20-H102 IonicContact OD1-ND1 3.02Å; D20-H102 IonicContact OD2-CE1 2.72Å; D20-H102 IonicContact OD2-CG 3.57Å; D20-H102 IonicContact OD2-ND1 3.7Å; D20-H102 PolarHBondContact OD2-ND1 3.04Å; D20-W106 PolarHBondContact OD1-NE1 3.39Å
21M80.8Confident78Confident60 Ų6016.6 Ų16.630%0.29610%0.096SC..THydrogen-bonded Turntrans-63.2137.4173.9-164.6177.9-138.100111.3V23 H43 G70 Q71 R96M21-V23 VanDerWaalsContact C-N 3.27Å; M21-V23 PolarHBondContact O-N 2.79Å; M21-H43 HydrophobicContact CE-CB 3.61Å; M21-H43 WeakPolarHBondContact CE-ND1 3.37Å; M21-G70 PolarHBondContact N-O 3.03Å; M21-Q71 HydrophobicContact CE-CB 4.35Å; M21-Q71 HydrophobicContact CE-CG 4.49Å; M21-Q71 HydrophobicContact SD-CG 4.47Å; M21-R96 PolarHBondContact O-NH1 3.35Å
22G80.4Confident78.5Confident46 Ų4616.2 Ų16.247%0.4749%0.094SC..THydrogen-bonded Turntrans76.14.517600000115.8G24 R96 K126G22-G24 PolarHBondContact O-N 2.94Å; G22-R96 PolarHBondContact O-NH2 3.22Å; G22-K126 PolarHBondContact O-NZ 3.06Å
23V86.1Confident78.9Confident0 Ų018.4 Ų18.40%011%0.107CC..SBendtrans-70.4-17.5172.9-56.70000112.8D20 M21 K25 V91 D93 T99 N125D20-V23 HydrophobicContact CB-CG1 3.85Å; D20-V23 VanDerWaalsContact O-CG2 3.23Å; D20-V23 WeakPolarHBondContact O-CG2 3.38Å; M21-V23 VanDerWaalsContact C-N 3.27Å; M21-V23 PolarHBondContact O-N 2.79Å; V23-K25 HydrophobicContact CG2-CD 4.36Å; V23-K25 HydrophobicContact CG2-CG 3.61Å; V23-V91 HydrophobicContact CB-CG1 4.34Å; V23-V91 HydrophobicContact CG2-CB 4.08Å; V23-V91 HydrophobicContact CG2-CG1 3.89Å; V23-D93 HydrophobicContact CB-CB 4.3Å; V23-D93 HydrophobicContact CG1-CB 4.12Å; V23-T99 HydrophobicContact CG1-CG2 3.75Å; V23-N125 PolarHBondContact O-ND2 3.16Å
24G83.1Confident79.7Confident13 Ų1321 Ų2113%0.13412%0.12CC..  trans98.728176.800000115.7G22 C27 L28G22-G24 PolarHBondContact O-N 2.94Å; G24-C27 WeakPolarHBondContact O-CB 3.48Å; G24-C27 PolarHBondContact O-N 3.05Å; G24-L28 WeakPolarHBondContact O-CG 3.28Å; G24-L28 PolarHBondContact O-N 2.85Å
25K86.4Confident80.2Confident9 Ų924.6 Ų24.64%0.03914%0.137CC..Hα-helixtrans-56.3-52.4176.4-61-173.1-65-68.40113.3I17 G19 D20 V23 C27 L28 L29 D67 T68 V91I17-K25 HydrophobicContact CB-CB 4.27Å; I17-K25 HydrophobicContact CB-CD 4.38Å; I17-K25 HydrophobicContact CG2-CB 3.61Å; I17-K25 HydrophobicContact CG2-CD 3.82Å; I17-K25 HydrophobicContact CG2-CG 3.59Å; G19-K25 WeakPolarHBondContact O-CE 3.37Å; G19-K25 PolarHBondContact O-NZ 3.17Å; D20-K25 PolarHBondContact O-NZ 3.18Å; V23-K25 HydrophobicContact CG2-CD 4.36Å; V23-K25 HydrophobicContact CG2-CG 3.61Å; K25-C27 VanDerWaalsContact C-N 3.31Å; K25-C27 PolarHBondContact O-N 3.23Å; K25-L28 WeakPolarHBondContact O-CB 3.47Å; K25-L28 PolarHBondContact O-N 2.71Å; K25-L28 VanDerWaalsContact O-N 3.13Å; K25-L29 PolarHBondContact O-N 2.97Å; K25-D67 WeakPolarHBondContact CB-OD1 3.38Å; K25-T68 WeakPolarHBondContact CE-O 3.39Å; K25-V91 HydrophobicContact CG-CB 4.14Å; K25-V91 HydrophobicContact CG-CG2 4.31Å
26S84.1Confident80.5Confident11 Ų1131.1 Ų31.18%0.07717%0.165CC..Hα-helixtrans-62.7-39.7176.9-40.30000111.2L28 L29 H30 C41 T44 D67S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 2.85Å; S26-L29 WeakPolarHBondContact O-CB 3.41Å; S26-L29 PolarHBondContact O-N 2.98Å; S26-L29 VanDerWaalsContact O-N 3.13Å; S26-H30 PolarHBondContact O-CD2 3.35Å; S26-H30 PolarHBondContact O-N 3.27Å; S26-C41 VanDerWaalsContact CB-SG 3.52Å; S26-T44 PolarHBondContact OG-OG1 3.43Å; S26-D67 WeakPolarHBondContact CA-OD2 2.97Å; S26-D67 VanDerWaalsContact CB-OD2 3.24Å; S26-D67 WeakPolarHBondContact CB-OD2 3.38Å; S26-D67 PolarHBondContact OG-OD2 3.28Å
27C86.3Confident80.2Confident19 Ų1935.1 Ų35.113%0.12818%0.183CC..Hα-helixtrans-61.4-40174.6-54.80000112G24 K25 Q31 F37 A156G24-C27 WeakPolarHBondContact O-CB 3.48Å; G24-C27 PolarHBondContact O-N 3.05Å; K25-C27 VanDerWaalsContact C-N 3.31Å; K25-C27 PolarHBondContact O-N 3.23Å; C27-Q31 WeakPolarHBondContact O-CB 3.28Å; C27-Q31 PolarHBondContact O-N 3.44Å; C27-F37 HydrophobicContact CB-CE2 4.28Å; C27-A156 HydrophobicContact CB-CB 3.68Å
28L85.5Confident79.8Confident3 Ų338.8 Ų38.82%0.01620%0.201CC..Hα-helixtrans-64-41.3173.4-74.2169.2000111.4G24 K25 S26 Q31 F32 V91 I123 N125 A154 A156 V162G24-L28 WeakPolarHBondContact O-CG 3.28Å; G24-L28 PolarHBondContact O-N 2.85Å; K25-L28 WeakPolarHBondContact O-CB 3.47Å; K25-L28 PolarHBondContact O-N 2.71Å; K25-L28 VanDerWaalsContact O-N 3.13Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 2.85Å; L28-Q31 PolarHBondContact O-N 3.23Å; L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 PolarHBondContact O-N 3.26Å; L28-V91 HydrophobicContact CD1-CB 4.38Å; L28-V91 HydrophobicContact CD1-CG1 3.67Å; L28-V91 HydrophobicContact CD1-CG2 3.74Å; L28-I123 HydrophobicContact CD1-CG2 4.27Å; L28-N125 HydrophobicContact CD1-CB 4.37Å; L28-A154 HydrophobicContact CD2-CB 4.37Å; L28-A156 HydrophobicContact CD2-CB 3.87Å; L28-A156 HydrophobicContact CG-CB 4.04Å; L28-V162 HydrophobicContact CD2-CB 4.36Å; L28-V162 HydrophobicContact CD2-CG1 4Å; L28-V162 HydrophobicContact CD2-CG2 3.64Å
29L85.9Confident78.8Confident1 Ų142.7 Ų42.71%0.00523%0.233CC..Hα-helixtrans-60.3-54.2175.6179.163.6000111.2I17 K25 S26 Q31 F32 T33 E48 I65 D67I17-L29 HydrophobicContact CD1-CB 4.09Å; K25-L29 PolarHBondContact O-N 2.97Å; S26-L29 WeakPolarHBondContact O-CB 3.41Å; S26-L29 PolarHBondContact O-N 2.98Å; S26-L29 VanDerWaalsContact O-N 3.13Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.19Å; L29-F32 CarbonylContact O-C 3.57Å; L29-F32 PolarHBondContact O-N 3.5Å; L29-F32 VanDerWaalsContact O-N 3.12Å; L29-T33 HydrophobicContact CD1-CG2 3.95Å; L29-T33 HydrophobicContact CG-CG2 4.45Å; L29-T33 PolarHBondContact O-N 2.79Å; L29-T33 PolarHBondContact O-OG1 2.8Å; L29-E48 HydrophobicContact CD2-CG 4.21Å; L29-I65 HydrophobicContact CD1-CB 3.77Å; L29-I65 HydrophobicContact CD1-CD1 4.11Å; L29-I65 HydrophobicContact CD1-CG2 3.61Å; L29-D67 HydrophobicContact CB-CB 4.35Å; L29-D67 HydrophobicContact CD2-CB 3.55Å
30H84.4Confident77.8Confident17 Ų1750 Ų508%0.07927%0.272CS..Hα-helixtrans-62.7-39.4179.2-70-68.7000112.2S26 F32 T33 E34 K35 E48S26-H30 PolarHBondContact O-CD2 3.35Å; S26-H30 PolarHBondContact O-N 3.27Å; H30-F32 PolarHBondContact O-N 2.87Å; H30-T33 WeakPolarHBondContact CA-OG1 3.34Å; H30-T33 PolarHBondContact O-N 3.04Å; H30-T33 PolarHBondContact O-OG1 3.31Å; H30-E34 IonicContact ND1-OE1 3.44Å; H30-E34 PolarHBondContact ND1-OE1 3.45Å; H30-E34 WeakPolarHBondContact O-CA 3.33Å; H30-E34 WeakPolarHBondContact O-CB 3.41Å; H30-E34 PolarHBondContact O-N 2.95Å; H30-K35 PolarHBondContact O-N 2.88Å; H30-E48 IonicContact CE1-OE1 2.96Å; H30-E48 PolarHBondContact CE1-OE1 2.98Å; H30-E48 IonicContact NE2-OE1 3.4Å; H30-E48 IonicContact NE2-OE2 3.95Å
31Q86.8Confident76.8Confident25 Ų2550.3 Ų50.312%0.11728%0.276CS..Hα-helixtrans-64.2-35.9176.2-171.866.8-12.400110.9C27 L28 L29 K35 K36 F37 A156 V162C27-Q31 WeakPolarHBondContact O-CB 3.28Å; C27-Q31 PolarHBondContact O-N 3.44Å; L28-Q31 PolarHBondContact O-N 3.23Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.19Å; Q31-K35 VanDerWaalsContact O-CA 3.22Å; Q31-K35 WeakPolarHBondContact O-CA 3.4Å; Q31-K35 PolarHBondContact O-N 2.86Å; Q31-K36 PolarHBondContact OE1-O 3.1Å; Q31-F37 VanDerWaalsContact OE1-N 3.16Å; Q31-A156 WeakPolarHBondContact CG-O 3.36Å; Q31-V162 HydrophobicContact CB-CG1 4.32Å; Q31-V162 HydrophobicContact CG-CB 4.42Å; Q31-V162 HydrophobicContact CG-CG1 4.3Å; Q31-V162 HydrophobicContact CG-CG2 4.12Å
32F83.7Confident75.9Confident1 Ų152.3 Ų52.30%0.00429%0.293CS..Hα-helixtrans-74-39.9174.2-174.9-111.3000113.1L28 L29 H30 R52 I54 L63 I65 V162 E163 F166L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 PolarHBondContact O-N 3.26Å; L29-F32 CarbonylContact O-C 3.57Å; L29-F32 PolarHBondContact O-N 3.5Å; L29-F32 VanDerWaalsContact O-N 3.12Å; H30-F32 PolarHBondContact O-N 2.87Å; F32-R52 HydrophobicContact CD1-CB 4.15Å; F32-R52 HydrophobicContact CE1-CB 3.57Å; F32-R52 HydrophobicContact CE1-CG 4Å; F32-R52 HydrophobicContact CZ-CB 4.17Å; F32-R52 HydrophobicContact CZ-CG 4.14Å; F32-R52 WeakPolarHBondContact O-CD 3.38Å; F32-R52 PolarHBondContact O-NH1 3.21Å; F32-I54 HydrophobicContact CE2-CG2 4.43Å; F32-I54 HydrophobicContact CZ-CG2 3.79Å; F32-L63 HydrophobicContact CE1-CD1 4.13Å; F32-L63 HydrophobicContact CZ-CD1 3.98Å; F32-I65 HydrophobicContact CD1-CD1 3.38Å; F32-I65 HydrophobicContact CE1-CD1 3.44Å; F32-I65 VanDerWaalsContact CE1-CD1 3.44Å; F32-V162 HydrophobicContact CB-CG1 4.11Å; F32-E163 HydrophobicContact CE2-CG 4.42Å; F32-F166 HydrophobicContact CB-CD2 3.86Å; F32-F166 HydrophobicContact CB-CE2 3.56Å; F32-F166 HydrophobicContact CB-CZ 4.21Å; F32-F166 HydrophobicContact CD1-CD1 4.27Å; F32-F166 AromaticContact CD1-CD2 3.97Å; F32-F166 HydrophobicContact CD1-CD2 3.97Å; F32-F166 HydrophobicContact CD1-CE1 4.43Å; F32-F166 HydrophobicContact CD1-CE2 4.17Å; F32-F166 HydrophobicContact CD1-CG 4.06Å; F32-F166 HydrophobicContact CD1-CZ 4.39Å; F32-F166 HydrophobicContact CD2-CB 4.04Å; F32-F166 AromaticContact CD2-CD2 3.33Å; F32-F166 HydrophobicContact CD2-CD2 3.33Å; F32-F166 AromaticContact CD2-CE2 3.99Å; F32-F166 HydrophobicContact CD2-CE2 3.99Å; F32-F166 AromaticContact CD2-CG 3.84Å; F32-F166 HydrophobicContact CD2-CG 3.84Å; F32-F166 HydrophobicContact CE1-CB 4.19Å; F32-F166 HydrophobicContact CE1-CD1 4.22Å; F32-F166 HydrophobicContact CE1-CD2 4.33Å; F32-F166 AromaticContact CE1-CG 4Å; F32-F166 HydrophobicContact CE1-CG 4Å; F32-F166 HydrophobicContact CE2-CB 3.52Å; F32-F166 AromaticContact CE2-CD2 3.78Å; F32-F166 HydrophobicContact CE2-CD2 3.78Å; F32-F166 AromaticContact CE2-CG 3.81Å; F32-F166 HydrophobicContact CE2-CG 3.81Å; F32-F166 AromaticContact CG-CD2 3.44Å; F32-F166 HydrophobicContact CG-CD2 3.44Å; F32-F166 VanDerWaalsContact CG-CD2 3.44Å; F32-F166 AromaticContact CG-CE2 3.65Å; F32-F166 HydrophobicContact CG-CE2 3.65Å; F32-F166 AromaticContact CG-CG 3.96Å; F32-F166 HydrophobicContact CG-CG 3.96Å; F32-F166 HydrophobicContact CG-CZ 4.28Å; F32-F166 HydrophobicContact CZ-CB 3.6Å; F32-F166 HydrophobicContact CZ-CD1 4.47Å; F32-F166 HydrophobicContact CZ-CD2 4.25Å; F32-F166 AromaticContact CZ-CG 3.88Å; F32-F166 HydrophobicContact CZ-CG 3.88Å
33T81.3Confident75.2Confident46 Ų4656.6 Ų56.628%0.28230%0.301SS..Hα-helixtrans-83.6-42.7-17652.40000113L29 H30L29-T33 HydrophobicContact CD1-CG2 3.95Å; L29-T33 HydrophobicContact CG-CG2 4.45Å; L29-T33 PolarHBondContact O-N 2.79Å; L29-T33 PolarHBondContact O-OG1 2.8Å; H30-T33 WeakPolarHBondContact CA-OG1 3.34Å; H30-T33 PolarHBondContact O-N 3.04Å; H30-T33 PolarHBondContact O-OG1 3.31Å
34E78.6Confident74Confident100 Ų10058 Ų5847%0.46731%0.309SS..Hα-helixtrans-109.3-9.6-170.3-65178.1-142.500113.5H30 K36H30-E34 IonicContact ND1-OE1 3.44Å; H30-E34 PolarHBondContact ND1-OE1 3.45Å; H30-E34 WeakPolarHBondContact O-CA 3.33Å; H30-E34 WeakPolarHBondContact O-CB 3.41Å; H30-E34 PolarHBondContact O-N 2.95Å; E34-K36 HydrophobicContact CB-CB 4.29Å; E34-K36 PolarHBondContact O-N 2.97Å
35K73Confident73.1Confident136 Ų13664.4 Ų64.459%0.59134%0.339SS*.SBendtrans5332.7-171.2-60.9-169.9172-164.80112.4H30 Q31 E163H30-K35 PolarHBondContact O-N 2.88Å; Q31-K35 VanDerWaalsContact O-CA 3.22Å; Q31-K35 WeakPolarHBondContact O-CA 3.4Å; Q31-K35 PolarHBondContact O-N 2.86Å; K35-E163 IonicContact NZ-OE2 3.44Å
36K67.3Low72.2Confident137 Ų13764.8 Ų64.860%0.59635%0.345SS*.  trans-127132.9179-72.8-179.7-177.5176.90110.3Q31 E34Q31-K36 PolarHBondContact OE1-O 3.1Å; E34-K36 HydrophobicContact CB-CB 4.29Å; E34-K36 PolarHBondContact O-N 2.97Å
37F62.3Low71.6Confident85 Ų8566 Ų6637%0.37335%0.352SS..  trans-85.2121.6169.8178.9-111.6000109.9C27 Q31 A39 A156 K157C27-F37 HydrophobicContact CB-CE2 4.28Å; Q31-F37 VanDerWaalsContact OE1-N 3.16Å; F37-A39 HydrophobicContact CD1-CB 4.23Å; F37-A39 HydrophobicContact CE1-CB 3.67Å; F37-A39 HydrophobicContact CZ-CB 4.45Å; F37-A156 VanDerWaalsContact CD2-O 3.29Å; F37-A156 WeakPolarHBondContact CD2-O 3.14Å; F37-K157 HydrophobicContact CD1-CG 4.12Å; F37-K157 HydrophobicContact CD2-CB 4.21Å; F37-K157 HydrophobicContact CE1-CB 4.5Å; F37-K157 HydrophobicContact CE1-CG 4Å; F37-K157 HydrophobicContact CE2-CB 4.06Å; F37-K157 HydrophobicContact CE2-CG 4.44Å; F37-K157 HydrophobicContact CG-CB 4.48Å; F37-K157 HydrophobicContact CG-CG 4.4Å; F37-K157 HydrophobicContact CZ-CB 4.21Å; F37-K157 HydrophobicContact CZ-CG 4.16Å
38M62.7Low71.2Confident78 Ų7868.7 Ų68.738%0.38436%0.363SS..  trans-97.1102.9170.7-64.2-171.174.100109
39A55.8Low71Confident82 Ų8272.9 Ų72.968%0.67838%0.381SS*.SBendtrans-66-38.2179.300000112.4F37 C41F37-A39 HydrophobicContact CD1-CB 4.23Å; F37-A39 HydrophobicContact CE1-CB 3.67Å; F37-A39 HydrophobicContact CZ-CB 4.45Å; A39-C41 PolarHBondContact O-N 2.82Å
40D58.4Low70.7Confident154 Ų15473.3 Ų73.382%0.82439%0.385SS*.SBendtrans-97.265.9172.7-80.5-50.4000110.3P42D40-P42 VanDerWaalsContact O-CD 3.23Å; D40-P42 WeakPolarHBondContact O-CD 3.33Å
41C59.1Low70.6Confident34 Ų3475.4 Ų75.423%0.2340%0.4CS..  trans-79.9111172.3-164.30000108.8S26 A39S26-C41 VanDerWaalsContact CB-SG 3.52Å; A39-C41 PolarHBondContact O-N 2.82Å
42P62.3Low70.4Confident102 Ų10276.4 Ų76.466%0.66240%0.402SS*.PPolyproline II helixtrans-62.1153.3177.327.2-33.6000109.9D40 T44D40-P42 VanDerWaalsContact O-CD 3.23Å; D40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-T44 PolarHBondContact O-N 3Å; P42-T44 VanDerWaalsContact O-N 3.16Å
43H67.2Low70.5Confident136 Ų13679.1 Ų79.163%0.6342%0.416SS*.PPolyproline II helixtrans-57.5123.8175.9-65.5-44000110.8M21 I45M21-H43 HydrophobicContact CE-CB 3.61Å; M21-H43 WeakPolarHBondContact CE-ND1 3.37Å; H43-I45 PolarHBondContact O-N 2.87Å
44T60Low70.7Confident28 Ų2877.4 Ų77.417%0.17241%0.405CS..PPolyproline II helixtrans-59.1121176.8-34.90000109.8S26 P42 E48 A69S26-T44 PolarHBondContact OG-OG1 3.43Å; P42-T44 PolarHBondContact O-N 3Å; P42-T44 VanDerWaalsContact O-N 3.16Å; T44-E48 HydrophobicContact CG2-CB 4.41Å; T44-A69 WeakPolarHBondContact O-CB 3.01Å
45I64Low70.9Confident149 Ų14978.4 Ų78.476%0.76441%0.41SS*.  trans-99.6108.8171.5-58.5176.5000106.8H43 F74H43-I45 PolarHBondContact O-N 2.87Å; I45-F74 HydrophobicContact CG2-CZ 4.32Å
46G67.4Low71.3Confident16 Ų1672 Ų7217%0.16538%0.382CS..SBendtrans85.7-120.8-178.600000113.3A69G46-A69 VanDerWaalsContact O-CB 3.26Å; G46-A69 WeakPolarHBondContact O-CB 3.15Å; G46-A69 PolarHBondContact O-N 3.23Å
47V71.6Confident71.9Confident38 Ų3870.1 Ų70.123%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-139.1132.4-173.5-177.50000109.6W66 D67 Y81V47-W66 HydrophobicContact CG1-CB 4.1Å; V47-W66 HydrophobicContact CG1-CE3 3.68Å; V47-D67 CarbonylContact C-O 3.55Å; V47-D67 VanDerWaalsContact CA-O 3.27Å; V47-D67 WeakPolarHBondContact CA-O 3.04Å; V47-D67 VanDerWaalsContact CG1-O 3.26Å; V47-D67 WeakPolarHBondContact CG1-O 3.45Å; V47-Y81 HydrophobicContact CB-CE2 4.36Å; V47-Y81 HydrophobicContact CG1-CE1 4.44Å; V47-Y81 HydrophobicContact CG2-CD2 4.01Å; V47-Y81 HydrophobicContact CG2-CE2 3.65Å
48E78.1Confident72.6Confident74 Ų7468.6 Ų68.635%0.34640%0.395SS..EExtended strand (participates in β ladder)trans-106.5146.6175-175.5170.6-178.900110.3L29 H30 T44 W66 D67L29-E48 HydrophobicContact CD2-CG 4.21Å; H30-E48 IonicContact CE1-OE1 2.96Å; H30-E48 PolarHBondContact CE1-OE1 2.98Å; H30-E48 IonicContact NE2-OE1 3.4Å; H30-E48 IonicContact NE2-OE2 3.95Å; T44-E48 HydrophobicContact CG2-CB 4.41Å; E48-W66 CarbonylContact O-C 3.59Å; E48-W66 WeakPolarHBondContact O-CA 3.28Å; E48-D67 HydrophobicContact CB-CB 4.27Å; E48-D67 PolarHBondContact N-O 2.95Å; E48-D67 PolarHBondContact O-N 3.38Å
49F80.6Confident73.4Confident91 Ų9167.9 Ų67.940%0.39939%0.391SS..EExtended strand (participates in β ladder)trans-121.4121.7-174176.5-102.7000111.1T51 Q64 I65 W66F49-T51 HydrophobicContact CD1-CG2 4.22Å; F49-T51 HydrophobicContact CE1-CG2 3.26Å; F49-T51 HydrophobicContact CE2-CG2 4.18Å; F49-T51 HydrophobicContact CZ-CG2 3.23Å; F49-Q64 HydrophobicContact CE2-CB 3.85Å; F49-Q64 HydrophobicContact CE2-CG 4.24Å; F49-Q64 HydrophobicContact CZ-CB 4.16Å; F49-Q64 HydrophobicContact CZ-CG 4.06Å; F49-I65 WeakPolarHBondContact CA-O 3.01Å; F49-W66 HydrophobicContact CB-CE3 4.25Å; F49-W66 HydrophobicContact CB-CZ3 4.26Å; F49-W66 AromaticContact CD2-CD2 3.74Å; F49-W66 HydrophobicContact CD2-CD2 3.74Å; F49-W66 AromaticContact CD2-CE2 3.6Å; F49-W66 AromaticContact CD2-CE3 3.88Å; F49-W66 HydrophobicContact CD2-CE3 3.88Å; F49-W66 HydrophobicContact CD2-CG 4.39Å; F49-W66 AromaticContact CD2-CH2 3.89Å; F49-W66 HydrophobicContact CD2-CH2 3.89Å; F49-W66 AromaticContact CD2-CZ2 3.7Å; F49-W66 HydrophobicContact CD2-CZ2 3.7Å; F49-W66 AromaticContact CD2-CZ3 3.96Å; F49-W66 HydrophobicContact CD2-CZ3 3.96Å; F49-W66 HydrophobicContact CE2-CD2 4.38Å; F49-W66 AromaticContact CE2-CE2 3.79Å; F49-W66 HydrophobicContact CE2-CH2 4.28Å; F49-W66 AromaticContact CE2-CZ2 3.76Å; F49-W66 HydrophobicContact CE2-CZ2 3.76Å; F49-W66 HydrophobicContact CG-CZ3 4.43Å
50G79.6Confident74.6Confident10 Ų1069 Ų6910%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-119.2149.2173.600000112I65G50-I65 PolarHBondContact N-O 3.28Å; G50-I65 PolarHBondContact O-N 2.67Å
51T82.6Confident75.8Confident61 Ų6161.7 Ų61.737%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-131.1134.9170.6690000111.4F49 L63 Q64F49-T51 HydrophobicContact CD1-CG2 4.22Å; F49-T51 HydrophobicContact CE1-CG2 3.26Å; F49-T51 HydrophobicContact CE2-CG2 4.18Å; F49-T51 HydrophobicContact CZ-CG2 3.23Å; T51-L63 VanDerWaalsContact CA-O 3.28Å; T51-L63 WeakPolarHBondContact CA-O 3.22Å; T51-Q64 HydrophobicContact CG2-CG 4.1Å
52R84Confident77Confident46 Ų4662.4 Ų62.417%0.17434%0.34CS..EExtended strand (participates in β ladder)trans-139140.8172-175164173.7-163-8.2109.6F32 I54 L63 E163F32-R52 HydrophobicContact CD1-CB 4.15Å; F32-R52 HydrophobicContact CE1-CB 3.57Å; F32-R52 HydrophobicContact CE1-CG 4Å; F32-R52 HydrophobicContact CZ-CB 4.17Å; F32-R52 HydrophobicContact CZ-CG 4.14Å; F32-R52 WeakPolarHBondContact O-CD 3.38Å; F32-R52 PolarHBondContact O-NH1 3.21Å; R52-I54 HydrophobicContact CG-CG2 4.38Å; R52-L63 PolarHBondContact N-O 3.37Å; R52-L63 VanDerWaalsContact N-O 3.13Å; R52-L63 WeakPolarHBondContact O-CB 3.41Å; R52-L63 PolarHBondContact O-N 2.78Å; R52-E163 IonicContact CZ-OE1 2.75Å; R52-E163 IonicContact CZ-OE2 3.4Å; R52-E163 IonicContact NH1-OE2 3.2Å; R52-E163 IonicContact NH2-OE1 2.71Å; R52-E163 PolarHBondContact NH2-OE1 2.81Å; R52-E163 IonicContact NH2-OE2 3.38Å; R52-E163 PolarHBondContact NH2-OE2 2.55Å; R52-E163 VanDerWaalsContact NH2-OE2 3.09Å
53I84.4Confident78Confident58 Ų5857.6 Ų57.630%0.29731%0.309SS..EExtended strand (participates in β ladder)trans-95126.7173.5-58.1172.8000107Y6 Y8 K60 I61 K62Y6-I53 HydrophobicContact CD1-CD1 3.78Å; Y6-I53 HydrophobicContact CG-CD1 3.81Å; Y8-I53 HydrophobicContact CD1-CD1 4.35Å; I53-K60 HydrophobicContact CG2-CB 4.31Å; I53-I61 WeakPolarHBondContact CA-O 3.34Å; I53-K62 HydrophobicContact CG1-CB 4.09Å; I53-K62 HydrophobicContact CG1-CG 4.01Å
54I85.4Confident78.8Confident10 Ų1052.6 Ų52.65%0.05129%0.286CS..EExtended strand (participates in β ladder)trans-119163.7174.562.6168.4000109.7F32 R52 V56 K60 I61 L63 L167 A170F32-I54 HydrophobicContact CE2-CG2 4.43Å; F32-I54 HydrophobicContact CZ-CG2 3.79Å; R52-I54 HydrophobicContact CG-CG2 4.38Å; I54-V56 HydrophobicContact CD1-CG2 3.66Å; I54-V56 HydrophobicContact CG1-CG2 4.1Å; I54-K60 WeakPolarHBondContact O-CA 3.22Å; I54-I61 HydrophobicContact CG1-CB 4.42Å; I54-I61 PolarHBondContact N-O 2.8Å; I54-I61 PolarHBondContact O-N 3.19Å; I54-L63 HydrophobicContact CD1-CD1 3.56Å; I54-L63 HydrophobicContact CD1-CD2 4.15Å; I54-L63 HydrophobicContact CD1-CG 3.91Å; I54-L63 HydrophobicContact CG1-CD1 4.06Å; I54-L63 HydrophobicContact CG1-CD2 4.4Å; I54-L63 HydrophobicContact CG1-CG 3.97Å; I54-L63 HydrophobicContact CG2-CD1 4.36Å; I54-L167 HydrophobicContact CD1-CG 4.34Å; I54-L167 HydrophobicContact CG2-CD1 4.45Å; I54-A170 HydrophobicContact CD1-CB 3.46Å; I54-A170 VanDerWaalsContact CD1-CB 3.46Å
55E82.4Confident80Confident121 Ų12151.3 Ų51.357%0.56528%0.278SS*.EExtended strand (participates in β ladder)trans-112.6122.5174.7-168.6171.5156.200109.5Q59E55-Q59 CarbonylContact C-O 3.6Å; E55-Q59 WeakPolarHBondContact CA-O 3.47Å
56V82.4Confident80.9Confident2 Ų246.7 Ų46.71%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-128.7120.3-178.2174.90000107.8I54 G58 Q59 I61 A170 K171 Y174I54-V56 HydrophobicContact CD1-CG2 3.66Å; I54-V56 HydrophobicContact CG1-CG2 4.1Å; V56-G58 PolarHBondContact O-N 2.97Å; V56-Q59 PolarHBondContact N-O 3.45Å; V56-Q59 WeakPolarHBondContact O-CB 3.43Å; V56-Q59 PolarHBondContact O-N 2.97Å; V56-I61 HydrophobicContact CB-CD1 3.82Å; V56-I61 HydrophobicContact CG1-CD1 4.42Å; V56-I61 HydrophobicContact CG2-CD1 4.22Å; V56-A170 HydrophobicContact CG2-CB 4.06Å; V56-K171 HydrophobicContact CG1-CB 4.28Å; V56-K171 HydrophobicContact CG1-CG 3.64Å; V56-Y174 HydrophobicContact CG1-CD1 4.33Å; V56-Y174 HydrophobicContact CG1-CG 4.48Å
57S79.1Confident81.6Confident97 Ų9745.9 Ų45.968%0.67824%0.243SC*.THydrogen-bonded Turntrans5239.1179.7-56.20000113.7Q59S57-Q59 PolarHBondContact O-N 3.39Å
58G77.3Confident81.8Confident54 Ų5444.1 Ų44.156%0.55723%0.232SC*.THydrogen-bonded Turntrans75.34.8-177.900000114.9V56V56-G58 PolarHBondContact O-N 2.97Å
59Q79.2Confident81.3Confident63 Ų6340.7 Ų40.729%0.29422%0.217SC..EExtended strand (participates in β ladder)trans-104.8131.9174.6-65.3-61.6-36.200110.7S9 E55 V56 S57 I61 Y174S9-Q59 PolarHBondContact OG-OE1 3.35Å; E55-Q59 CarbonylContact C-O 3.6Å; E55-Q59 WeakPolarHBondContact CA-O 3.47Å; V56-Q59 PolarHBondContact N-O 3.45Å; V56-Q59 WeakPolarHBondContact O-CB 3.43Å; V56-Q59 PolarHBondContact O-N 2.97Å; S57-Q59 PolarHBondContact O-N 3.39Å; Q59-I61 HydrophobicContact CB-CG1 4.46Å; Q59-I61 PolarHBondContact O-N 3.41Å; Q59-Y174 HydrophobicContact CG-CE2 4.44Å
60K81.4Confident80.4Confident105 Ų10537 Ų3746%0.45720%0.203SC..EExtended strand (participates in β ladder)trans-81.9118.5173.1-70.5-178.7-179.61800109.7N7 Y8 S9 I53 I54N7-K60 WeakPolarHBondContact O-CD 3.32Å; Y8-K60 WeakPolarHBondContact CA-O 3.41Å; S9-K60 PolarHBondContact N-O 3.47Å; I53-K60 HydrophobicContact CG2-CB 4.31Å; I54-K60 WeakPolarHBondContact O-CA 3.22Å
61I83.6Confident79.4Confident0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-118.5124.4-176.3-51.5-173.5000108.9Y10 F12 I53 I54 V56 Q59 L63 Y174Y10-I61 CarbonylContact O-C 3.58Å; Y10-I61 WeakPolarHBondContact O-CA 3.04Å; F12-I61 HydrophobicContact CB-CG2 4.2Å; F12-I61 HydrophobicContact CD1-CG2 3.8Å; F12-I61 HydrophobicContact CD2-CD1 4.5Å; F12-I61 HydrophobicContact CD2-CG2 3.53Å; F12-I61 HydrophobicContact CE1-CD1 4.36Å; F12-I61 HydrophobicContact CE1-CG2 3.99Å; F12-I61 HydrophobicContact CE2-CD1 3.67Å; F12-I61 HydrophobicContact CE2-CG2 3.73Å; F12-I61 HydrophobicContact CG-CG2 3.56Å; F12-I61 HydrophobicContact CZ-CD1 3.6Å; F12-I61 HydrophobicContact CZ-CG2 3.97Å; I53-I61 WeakPolarHBondContact CA-O 3.34Å; I54-I61 HydrophobicContact CG1-CB 4.42Å; I54-I61 PolarHBondContact N-O 2.8Å; I54-I61 PolarHBondContact O-N 3.19Å; V56-I61 HydrophobicContact CB-CD1 3.82Å; V56-I61 HydrophobicContact CG1-CD1 4.42Å; V56-I61 HydrophobicContact CG2-CD1 4.22Å; Q59-I61 HydrophobicContact CB-CG1 4.46Å; Q59-I61 PolarHBondContact O-N 3.41Å; I61-L63 HydrophobicContact CG2-CD2 4.1Å; I61-Y174 HydrophobicContact CD1-CD2 4.07Å; I61-Y174 HydrophobicContact CD1-CG 4.37Å
62K83.9Confident78.1Confident50 Ų5042 Ų4222%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-86.1111.4172.9-174.2172.8-175.9175.10109.4Y8 Y10 I11 F12 I53Y8-K62 HydrophobicContact CD2-CB 4.28Å; Y8-K62 HydrophobicContact CE1-CD 4.28Å; Y8-K62 HydrophobicContact CG-CB 4.24Å; Y10-K62 PolarHBondContact O-N 3.07Å; I11-K62 CarbonylContact C-O 3.54Å; I11-K62 WeakPolarHBondContact CA-O 3.44Å; I11-K62 HydrophobicContact CG1-CB 4.28Å; F12-K62 PolarHBondContact N-O 2.89Å; I53-K62 HydrophobicContact CG1-CB 4.09Å; I53-K62 HydrophobicContact CG1-CG 4.01Å
63L83.9Confident76.6Confident0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-83131.7171.6-57.5-172.3000110.1F12 I15 F32 T51 R52 I54 I61 I65 F166 A170F12-L63 HydrophobicContact CB-CD2 3.77Å; F12-L63 HydrophobicContact CD2-CD2 3.81Å; F12-L63 HydrophobicContact CG-CD2 4.21Å; I15-L63 HydrophobicContact CD1-CB 4.44Å; I15-L63 HydrophobicContact CD1-CD1 4.06Å; I15-L63 HydrophobicContact CD1-CD2 3.91Å; I15-L63 HydrophobicContact CD1-CG 4.36Å; F32-L63 HydrophobicContact CE1-CD1 4.13Å; F32-L63 HydrophobicContact CZ-CD1 3.98Å; T51-L63 VanDerWaalsContact CA-O 3.28Å; T51-L63 WeakPolarHBondContact CA-O 3.22Å; R52-L63 PolarHBondContact N-O 3.37Å; R52-L63 VanDerWaalsContact N-O 3.13Å; R52-L63 WeakPolarHBondContact O-CB 3.41Å; R52-L63 PolarHBondContact O-N 2.78Å; I54-L63 HydrophobicContact CD1-CD1 3.56Å; I54-L63 HydrophobicContact CD1-CD2 4.15Å; I54-L63 HydrophobicContact CD1-CG 3.91Å; I54-L63 HydrophobicContact CG1-CD1 4.06Å; I54-L63 HydrophobicContact CG1-CD2 4.4Å; I54-L63 HydrophobicContact CG1-CG 3.97Å; I54-L63 HydrophobicContact CG2-CD1 4.36Å; I61-L63 HydrophobicContact CG2-CD2 4.1Å; L63-I65 HydrophobicContact CB-CG1 4.34Å; L63-F166 HydrophobicContact CD1-CB 4.31Å; L63-A170 HydrophobicContact CD2-CB 4.13Å
64Q84.2Confident75.3Confident32 Ų3249.1 Ų49.115%0.1525%0.245CC..EExtended strand (participates in β ladder)trans-112.4110.8169.3-66.1-165-39.300108.5I11 F12 Y14 I15 F49 T51I11-Q64 HydrophobicContact CG2-CG 4.11Å; F12-Q64 PolarHBondContact O-N 3.49Å; Y14-Q64 PolarHBondContact N-O 3.15Å; I15-Q64 PolarHBondContact N-O 2.77Å; F49-Q64 HydrophobicContact CE2-CB 3.85Å; F49-Q64 HydrophobicContact CE2-CG 4.24Å; F49-Q64 HydrophobicContact CZ-CB 4.16Å; F49-Q64 HydrophobicContact CZ-CG 4.06Å; T51-Q64 HydrophobicContact CG2-CG 4.1Å
65I84.8Confident74.1Confident0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-109.3132.4-172.3-54.4160.9000108.4I15 I17 L29 F32 F49 G50 L63 F166I15-I65 HydrophobicContact CB-CG1 4.09Å; I15-I65 HydrophobicContact CG2-CG1 4.18Å; I15-I65 HydrophobicContact CG2-CG2 4.18Å; I15-I65 CarbonylContact O-C 3.41Å; I15-I65 WeakPolarHBondContact O-CA 3.48Å; I17-I65 HydrophobicContact CD1-CG2 3.92Å; I17-I65 HydrophobicContact CG1-CG2 3.96Å; L29-I65 HydrophobicContact CD1-CB 3.77Å; L29-I65 HydrophobicContact CD1-CD1 4.11Å; L29-I65 HydrophobicContact CD1-CG2 3.61Å; F32-I65 HydrophobicContact CD1-CD1 3.38Å; F32-I65 HydrophobicContact CE1-CD1 3.44Å; F32-I65 VanDerWaalsContact CE1-CD1 3.44Å; F49-I65 WeakPolarHBondContact CA-O 3.01Å; G50-I65 PolarHBondContact N-O 3.28Å; G50-I65 PolarHBondContact O-N 2.67Å; L63-I65 HydrophobicContact CB-CG1 4.34Å; I65-F166 HydrophobicContact CD1-CD1 3.79Å; I65-F166 HydrophobicContact CD1-CE1 3.54Å; I65-F166 HydrophobicContact CD1-CZ 4.26Å; I65-F166 HydrophobicContact CG1-CD1 4.41Å; I65-F166 HydrophobicContact CG1-CE1 4.11Å; I65-F166 HydrophobicContact CG2-CE1 4.13Å
66W83.5Confident72.9Confident52 Ų5249.5 Ų49.520%0.19726%0.256CS..EExtended strand (participates in β ladder)trans-113.3107.4176.7-59.582.3000107.7Y14 I15 I16 I17 V47 E48 F49 Y81Y14-W66 AromaticContact CD1-NE1 3.46Å; Y14-W66 HydrophobicContact CE1-CZ2 4.35Å; I15-W66 PolarHBondContact O-N 3.47Å; I16-W66 WeakPolarHBondContact CA-O 3.38Å; I17-W66 PolarHBondContact N-O 3.22Å; V47-W66 HydrophobicContact CG1-CB 4.1Å; V47-W66 HydrophobicContact CG1-CE3 3.68Å; E48-W66 CarbonylContact O-C 3.59Å; E48-W66 WeakPolarHBondContact O-CA 3.28Å; F49-W66 HydrophobicContact CB-CE3 4.25Å; F49-W66 HydrophobicContact CB-CZ3 4.26Å; F49-W66 AromaticContact CD2-CD2 3.74Å; F49-W66 HydrophobicContact CD2-CD2 3.74Å; F49-W66 AromaticContact CD2-CE2 3.6Å; F49-W66 AromaticContact CD2-CE3 3.88Å; F49-W66 HydrophobicContact CD2-CE3 3.88Å; F49-W66 HydrophobicContact CD2-CG 4.39Å; F49-W66 AromaticContact CD2-CH2 3.89Å; F49-W66 HydrophobicContact CD2-CH2 3.89Å; F49-W66 AromaticContact CD2-CZ2 3.7Å; F49-W66 HydrophobicContact CD2-CZ2 3.7Å; F49-W66 AromaticContact CD2-CZ3 3.96Å; F49-W66 HydrophobicContact CD2-CZ3 3.96Å; F49-W66 HydrophobicContact CE2-CD2 4.38Å; F49-W66 AromaticContact CE2-CE2 3.79Å; F49-W66 HydrophobicContact CE2-CH2 4.28Å; F49-W66 AromaticContact CE2-CZ2 3.76Å; F49-W66 HydrophobicContact CE2-CZ2 3.76Å; F49-W66 HydrophobicContact CG-CZ3 4.43Å; W66-Y81 AromaticContact CD2-CD1 3.99Å; W66-Y81 HydrophobicContact CD2-CD1 3.99Å; W66-Y81 HydrophobicContact CD2-CE1 4.3Å; W66-Y81 AromaticContact CE3-CD1 3.78Å; W66-Y81 HydrophobicContact CE3-CD1 3.78Å; W66-Y81 AromaticContact CE3-CE1 3.63Å; W66-Y81 HydrophobicContact CE3-CE1 3.63Å; W66-Y81 HydrophobicContact CH2-CE1 4.08Å; W66-Y81 HydrophobicContact CZ3-CD1 4.05Å; W66-Y81 AromaticContact CZ3-CE1 3.51Å; W66-Y81 HydrophobicContact CZ3-CE1 3.51Å
67D82.1Confident71.9Confident0 Ų052.7 Ų52.70%028%0.276CS..EExtended strand (participates in β ladder)trans-81.1131.7169.3176.646.4000109.2I17 K25 S26 L29 V47 E48I17-D67 HydrophobicContact CD1-CB 4.5Å; K25-D67 WeakPolarHBondContact CB-OD1 3.38Å; S26-D67 WeakPolarHBondContact CA-OD2 2.97Å; S26-D67 VanDerWaalsContact CB-OD2 3.24Å; S26-D67 WeakPolarHBondContact CB-OD2 3.38Å; S26-D67 PolarHBondContact OG-OD2 3.28Å; L29-D67 HydrophobicContact CB-CB 4.35Å; L29-D67 HydrophobicContact CD2-CB 3.55Å; V47-D67 CarbonylContact C-O 3.55Å; V47-D67 VanDerWaalsContact CA-O 3.27Å; V47-D67 WeakPolarHBondContact CA-O 3.04Å; V47-D67 VanDerWaalsContact CG1-O 3.26Å; V47-D67 WeakPolarHBondContact CG1-O 3.45Å; E48-D67 HydrophobicContact CB-CB 4.27Å; E48-D67 PolarHBondContact N-O 2.95Å; E48-D67 PolarHBondContact O-N 3.38Å
68T74.5Confident71.2Confident1 Ų148.2 Ų48.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-114.5141.5-172.772.30000110.1I16 I17 K25 G70 T78I16-T68 HydrophobicContact CG2-CG2 3.43Å; I16-T68 VanDerWaalsContact CG2-CG2 3.43Å; I17-T68 PolarHBondContact O-OG1 2.72Å; K25-T68 WeakPolarHBondContact CE-O 3.39Å; T68-G70 PolarHBondContact O-N 3.37Å; T68-G70 VanDerWaalsContact O-N 3.1Å; T68-T78 HydrophobicContact CG2-CG2 3.36Å
69A69.2Low70.8Confident2 Ų252.3 Ų52.32%0.01724%0.243CC..  trans-57.7120.6173.400000110.2T44 G46 Q71 F74T44-A69 WeakPolarHBondContact O-CB 3.01Å; G46-A69 VanDerWaalsContact O-CB 3.26Å; G46-A69 WeakPolarHBondContact O-CB 3.15Å; G46-A69 PolarHBondContact O-N 3.23Å; A69-Q71 PolarHBondContact O-N 3.02Å; A69-Q71 VanDerWaalsContact O-N 3.09Å; A69-F74 HydrophobicContact CB-CB 4.04Å; A69-F74 HydrophobicContact CB-CD2 3.77Å; A69-F74 HydrophobicContact CB-CG 4.16Å
70G60.3Low70.3Confident12 Ų1253.9 Ų53.912%0.12426%0.261CS..  trans-73.67.1177.500000114.6G19 M21 T68G19-G70 VanDerWaalsContact O-CA 3.24Å; G19-G70 WeakPolarHBondContact O-CA 3.33Å; M21-G70 PolarHBondContact N-O 3.03Å; T68-G70 PolarHBondContact O-N 3.37Å; T68-G70 VanDerWaalsContact O-N 3.1Å
71Q59.6Low69.7Low42 Ų4252.2 Ų52.220%0.19625%0.252CS..SBendtrans-89126.6178-154.3176.98100108.9M21 A69 R73 F74M21-Q71 HydrophobicContact CE-CB 4.35Å; M21-Q71 HydrophobicContact CE-CG 4.49Å; M21-Q71 HydrophobicContact SD-CG 4.47Å; A69-Q71 PolarHBondContact O-N 3.02Å; A69-Q71 VanDerWaalsContact O-N 3.09Å; Q71-R73 PolarHBondContact O-N 2.81Å; Q71-F74 HydrophobicContact CB-CD2 4.07Å; Q71-F74 PolarHBondContact O-N 3.27Å
72E55.5Low69Low135 Ų13552.4 Ų52.463%0.63125%0.253SS*.G310 helixtrans-53.4-29.5-177.164.1-141.2110.900114.3F74 R75E72-F74 PolarHBondContact O-N 3.11Å; E72-R75 VanDerWaalsContact O-CB 3.27Å; E72-R75 WeakPolarHBondContact O-CB 3.21Å; E72-R75 WeakPolarHBondContact O-CG 3.24Å; E72-R75 PolarHBondContact O-N 2.66Å
73R52.3Low68.3Low192 Ų19258.4 Ų58.473%0.72527%0.274SS*.G310 helixtrans-60.8-22.6175.9-70.5-171.9-75.5-156.1-7.3113.7Q71Q71-R73 PolarHBondContact O-N 2.81Å
74F56.8Low67.5Low61 Ų6158.7 Ų58.727%0.26828%0.277SS..G310 helixtrans-1002177.2-62-67.1000113.7I45 A69 Q71 E72 A76 V77 T78I45-F74 HydrophobicContact CG2-CZ 4.32Å; A69-F74 HydrophobicContact CB-CB 4.04Å; A69-F74 HydrophobicContact CB-CD2 3.77Å; A69-F74 HydrophobicContact CB-CG 4.16Å; Q71-F74 HydrophobicContact CB-CD2 4.07Å; Q71-F74 PolarHBondContact O-N 3.27Å; E72-F74 PolarHBondContact O-N 3.11Å; F74-A76 PolarHBondContact O-N 3.14Å; F74-A76 VanDerWaalsContact O-N 3.09Å; F74-V77 HydrophobicContact CD1-CG2 4.43Å; F74-V77 WeakPolarHBondContact O-CA 3.48Å; F74-V77 WeakPolarHBondContact O-CB 3.08Å; F74-V77 PolarHBondContact O-N 3.09Å; F74-T78 PolarHBondContact O-N 2.88Å; F74-T78 VanDerWaalsContact O-N 3.07Å; F74-T78 PolarHBondContact O-OG1 3.41Å; F74-T78 VanDerWaalsContact O-OG1 3.07Å
75R59.7Low67Low67 Ų6757.2 Ų57.225%0.25327%0.27SS..Hα-helixtrans-52.1-36.6178-85.5177.7150.5131.7-1.5112.9E72 V77 T78 R79 W106 D109E72-R75 VanDerWaalsContact O-CB 3.27Å; E72-R75 WeakPolarHBondContact O-CB 3.21Å; E72-R75 WeakPolarHBondContact O-CG 3.24Å; E72-R75 PolarHBondContact O-N 2.66Å; R75-V77 VanDerWaalsContact C-N 3.34Å; R75-V77 PolarHBondContact O-N 2.8Å; R75-T78 PolarHBondContact O-N 3.46Å; R75-R79 WeakPolarHBondContact O-CG 3.36Å; R75-R79 PolarHBondContact O-N 3.13Å; R75-R79 VanDerWaalsContact O-N 3.14Å; R75-W106 HydrophobicContact CG-CH2 4.01Å; R75-W106 HydrophobicContact CG-CZ3 4.28Å; R75-W106 VanDerWaalsContact NH2-CE2 3.26Å; R75-W106 VanDerWaalsContact NH2-CZ2 3.34Å; R75-D109 IonicContact NE-OD2 3.63Å
76A57.6Low66.7Low73 Ų7357.2 Ų57.260%0.60327%0.27SS*.Hα-helixtrans-65.3-35.3176.900000113.1F74F74-A76 PolarHBondContact O-N 3.14Å; F74-A76 VanDerWaalsContact O-N 3.09Å
77V60.4Low66.7Low69 Ų6954.8 Ų54.842%0.41826%0.261SS..Hα-helixtrans-71.2-37.6175.6-178.50000110F74 R75 R79 Y81F74-V77 HydrophobicContact CD1-CG2 4.43Å; F74-V77 WeakPolarHBondContact O-CA 3.48Å; F74-V77 WeakPolarHBondContact O-CB 3.08Å; F74-V77 PolarHBondContact O-N 3.09Å; R75-V77 VanDerWaalsContact C-N 3.34Å; R75-V77 PolarHBondContact O-N 2.8Å; V77-R79 PolarHBondContact O-N 3.01Å; V77-Y81 HydrophobicContact CG1-CE2 4.33Å; V77-Y81 VanDerWaalsContact O-CD2 3.26Å; V77-Y81 WeakPolarHBondContact O-CD2 3.45Å; V77-Y81 WeakPolarHBondContact O-CE2 3.31Å
78T64.4Low66.9Low3 Ų354.9 Ų54.92%0.01826%0.262CS..Hα-helixtrans-67.1-35.3-179.4-40.20000112.6T68 F74 R75 S80 Y81 Y82T68-T78 HydrophobicContact CG2-CG2 3.36Å; F74-T78 PolarHBondContact O-N 2.88Å; F74-T78 VanDerWaalsContact O-N 3.07Å; F74-T78 PolarHBondContact O-OG1 3.41Å; F74-T78 VanDerWaalsContact O-OG1 3.07Å; R75-T78 PolarHBondContact O-N 3.46Å; T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 2.91Å; T78-S80 VanDerWaalsContact O-N 3.15Å; T78-Y81 WeakPolarHBondContact O-CB 3.47Å; T78-Y81 PolarHBondContact O-N 3.08Å; T78-Y82 HydrophobicContact CG2-CD2 4.28Å; T78-Y82 HydrophobicContact CG2-CE2 3.48Å; T78-Y82 VanDerWaalsContact CG2-CE2 3.48Å; T78-Y82 WeakPolarHBondContact O-CD2 3.41Å
79R68.8Low67.6Low140 Ų14054.9 Ų54.953%0.52826%0.262SS..Hα-helixtrans-50.3-40.6-178.4-79.4-179.8-179.5-179.6-0.2114R75 V77 Y81 Y82 L113R75-R79 WeakPolarHBondContact O-CG 3.36Å; R75-R79 PolarHBondContact O-N 3.13Å; R75-R79 VanDerWaalsContact O-N 3.14Å; V77-R79 PolarHBondContact O-N 3.01Å; R79-Y81 PolarHBondContact O-N 2.84Å; R79-Y82 PolarHBondContact O-N 3.43Å; R79-L113 HydrophobicContact CG-CD1 3.74Å; R79-L113 HydrophobicContact CG-CD2 4.11Å
80S69.4Low68.6Low96 Ų9654.8 Ų54.867%0.67126%0.261SS*.Hα-helixtrans-64-22.4180-58.80000113.7T78T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 2.91Å; T78-S80 VanDerWaalsContact O-N 3.15Å
81Y70Confident70Confident70 Ų7054.3 Ų54.328%0.27526%0.256SS..Hα-helixtrans-88.1-21.5-178.6-63.8-85.9000113.3I16 V47 W66 V77 T78 R79 R83I16-Y81 VanDerWaalsContact CD1-C 3.43Å; I16-Y81 WeakPolarHBondContact CD1-O 3.18Å; V47-Y81 HydrophobicContact CB-CE2 4.36Å; V47-Y81 HydrophobicContact CG1-CE1 4.44Å; V47-Y81 HydrophobicContact CG2-CD2 4.01Å; V47-Y81 HydrophobicContact CG2-CE2 3.65Å; W66-Y81 AromaticContact CD2-CD1 3.99Å; W66-Y81 HydrophobicContact CD2-CD1 3.99Å; W66-Y81 HydrophobicContact CD2-CE1 4.3Å; W66-Y81 AromaticContact CE3-CD1 3.78Å; W66-Y81 HydrophobicContact CE3-CD1 3.78Å; W66-Y81 AromaticContact CE3-CE1 3.63Å; W66-Y81 HydrophobicContact CE3-CE1 3.63Å; W66-Y81 HydrophobicContact CH2-CE1 4.08Å; W66-Y81 HydrophobicContact CZ3-CD1 4.05Å; W66-Y81 AromaticContact CZ3-CE1 3.51Å; W66-Y81 HydrophobicContact CZ3-CE1 3.51Å; V77-Y81 HydrophobicContact CG1-CE2 4.33Å; V77-Y81 VanDerWaalsContact O-CD2 3.26Å; V77-Y81 WeakPolarHBondContact O-CD2 3.45Å; V77-Y81 WeakPolarHBondContact O-CE2 3.31Å; T78-Y81 WeakPolarHBondContact O-CB 3.47Å; T78-Y81 PolarHBondContact O-N 3.08Å; R79-Y81 PolarHBondContact O-N 2.84Å; Y81-R83 VanDerWaalsContact C-N 3.27Å; Y81-R83 PolarHBondContact O-N 2.86Å
82Y68.9Low71.6Confident4 Ų452.3 Ų52.32%0.01625%0.246CC..Hα-helixtrans-66.4-29.7176.3-71.5-98.2000112.5I16 V18 T78 R79 G84 A85 A110 L113 T114I16-Y82 VanDerWaalsContact CD1-CA 3.41Å; I16-Y82 HydrophobicContact CD1-CD1 4.11Å; I16-Y82 HydrophobicContact CD1-CD2 4.38Å; I16-Y82 HydrophobicContact CD1-CG 3.97Å; V18-Y82 HydrophobicContact CG1-CE1 3.9Å; V18-Y82 WeakPolarHBondContact CG1-OH 3.22Å; T78-Y82 HydrophobicContact CG2-CD2 4.28Å; T78-Y82 HydrophobicContact CG2-CE2 3.48Å; T78-Y82 VanDerWaalsContact CG2-CE2 3.48Å; T78-Y82 WeakPolarHBondContact O-CD2 3.41Å; R79-Y82 PolarHBondContact O-N 3.43Å; Y82-G84 PolarHBondContact O-N 3.14Å; Y82-A85 WeakPolarHBondContact O-CB 3.29Å; Y82-A85 PolarHBondContact O-N 3.11Å; Y82-A85 VanDerWaalsContact O-N 3.08Å; Y82-A110 HydrophobicContact CE1-CB 4.19Å; Y82-L113 HydrophobicContact CD1-CB 4.07Å; Y82-L113 HydrophobicContact CD1-CD1 4.38Å; Y82-L113 HydrophobicContact CD2-CB 4.41Å; Y82-L113 HydrophobicContact CD2-CD1 3.91Å; Y82-L113 HydrophobicContact CE2-CD1 4.1Å; Y82-L113 HydrophobicContact CG-CB 3.78Å; Y82-L113 HydrophobicContact CG-CD1 4.05Å; Y82-T114 HydrophobicContact CD1-CG2 3.7Å; Y82-T114 HydrophobicContact CG-CG2 4.35Å
83R68.8Low73.4Confident176 Ų17645.9 Ų45.966%0.66422%0.216SC*.THydrogen-bonded Turntrans-68.6116.4179.5-167.3178.5-174128.63.3109.7Y81 E188Y81-R83 VanDerWaalsContact C-N 3.27Å; Y81-R83 PolarHBondContact O-N 2.86Å; R83-E188 IonicContact CZ-OE1 2.71Å; R83-E188 IonicContact NE-OE1 3.77Å; R83-E188 PolarHBondContact NE-OE1 3.14Å; R83-E188 IonicContact NH2-OE1 3.62Å; R83-E188 PolarHBondContact NH2-OE1 3.48Å
84G66.1Low75.4Confident5 Ų536.7 Ų36.75%0.05218%0.182CC..THydrogen-bonded Turntrans92.99.2-176.400000114.3Y14 Y82 A86 E188 G190Y14-G84 WeakPolarHBondContact CD2-O 3.48Å; Y82-G84 PolarHBondContact O-N 3.14Å; G84-A86 PolarHBondContact O-N 3.19Å; G84-E188 VanDerWaalsContact CA-O 3.31Å; G84-E188 WeakPolarHBondContact CA-O 3.23Å; G84-G190 WeakPolarHBondContact O-CA 3.49Å; G84-G190 PolarHBondContact O-N 3.19Å
85A74.4Confident77.1Confident1 Ų135 Ų351%0.00818%0.177CC..  trans-70.4119.8178.500000113.5Y14 I16 Y82 T114 T118Y14-A85 WeakPolarHBondContact O-CB 3.13Å; I16-A85 HydrophobicContact CD1-CB 4Å; I16-A85 HydrophobicContact CG1-CB 4.42Å; Y82-A85 WeakPolarHBondContact O-CB 3.29Å; Y82-A85 PolarHBondContact O-N 3.11Å; Y82-A85 VanDerWaalsContact O-N 3.08Å; A85-T114 HydrophobicContact CB-CG2 4.04Å; A85-T118 HydrophobicContact CB-CG2 4.45Å; A85-T118 WeakPolarHBondContact O-CG2 3.38Å; A85-T118 PolarHBondContact O-OG1 3.39Å
86A78.9Confident78.5Confident0 Ų035.8 Ų35.80%018%0.179CC..SBendtrans-75.6-29.1170.900000111.8G84 V119 I173 V191G84-A86 PolarHBondContact O-N 3.19Å; A86-V119 PolarHBondContact O-N 3.4Å; A86-V119 VanDerWaalsContact O-N 3.14Å; A86-I173 HydrophobicContact CB-CD1 4.31Å; A86-I173 HydrophobicContact CB-CG2 4.17Å; A86-V191 HydrophobicContact CB-CG2 3.98Å
87G83.9Confident80.1Confident1 Ų137 Ų371%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-152.2160.217500000114.3I15 I16 V119I15-G87 WeakPolarHBondContact CA-O 3.33Å; I16-G87 PolarHBondContact N-O 3.18Å; G87-V119 CarbonylContact C-O 3.59Å; G87-V119 WeakPolarHBondContact CA-O 3.41Å
88A86.1Confident81.5Confident2 Ų236.8 Ų36.82%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-134.8133175.900000110.5I16 V119 I120 I121I16-A88 CarbonylContact O-C 3.52Å; I16-A88 WeakPolarHBondContact O-CA 3Å; A88-V119 PolarHBondContact N-O 3.34Å; A88-I120 HydrophobicContact CB-CG1 4.35Å; A88-I120 WeakPolarHBondContact O-CA 3.45Å; A88-I121 PolarHBondContact O-N 3.23Å
89L88.4Confident82.7Confident2 Ų236.8 Ų36.81%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-99118.7168.9-60.896.5000108.3I15 I16 I17 V18 I121 I123 F166I15-L89 HydrophobicContact CB-CD1 4.37Å; I15-L89 HydrophobicContact CG2-CD1 2.88Å; I15-L89 HydrophobicContact CG2-CG 4.3Å; I16-L89 PolarHBondContact O-N 3.35Å; I17-L89 CarbonylContact C-O 3.54Å; I17-L89 WeakPolarHBondContact CA-O 3.28Å; I17-L89 HydrophobicContact CG1-CD1 4.33Å; I17-L89 HydrophobicContact CG2-CB 4.41Å; V18-L89 PolarHBondContact N-O 2.88Å; L89-I121 CarbonylContact C-O 3.55Å; L89-I121 WeakPolarHBondContact CA-O 3.32Å; L89-I121 HydrophobicContact CB-CG2 4.04Å; L89-I121 HydrophobicContact CD2-CG2 3.95Å; L89-I121 HydrophobicContact CG-CG2 3.52Å; L89-I123 HydrophobicContact CB-CD1 3.83Å; L89-I123 HydrophobicContact CD2-CD1 3.29Å; L89-I123 HydrophobicContact CG-CD1 3.99Å; L89-F166 HydrophobicContact CD1-CD1 4.12Å; L89-F166 HydrophobicContact CD1-CE1 3.71Å; L89-F166 HydrophobicContact CD1-CZ 4.5Å; L89-F166 HydrophobicContact CD2-CD1 3.84Å; L89-F166 HydrophobicContact CD2-CE1 3.64Å; L89-F166 HydrophobicContact CD2-CE2 4.33Å; L89-F166 HydrophobicContact CD2-CG 4.28Å; L89-F166 HydrophobicContact CD2-CZ 3.89Å; L89-F166 HydrophobicContact CG-CE1 4.4Å
90M89.6Confident83.7Confident0 Ų031.6 Ų31.60%015%0.151CC..EExtended strand (participates in β ladder)trans-98.4119.6174.5-164.8174-69.600108.4V18 L103 W106 L107 A110 I120 I121 L122 I123V18-M90 HydrophobicContact CG2-CB 4.12Å; V18-M90 HydrophobicContact CG2-CE 4.34Å; V18-M90 HydrophobicContact CG2-CG 4Å; M90-L103 HydrophobicContact CG-CD2 3.44Å; M90-L103 VanDerWaalsContact CG-CD2 3.44Å; M90-L103 HydrophobicContact SD-CB 4.23Å; M90-L103 HydrophobicContact SD-CD2 3.56Å; M90-L103 VanDerWaalsContact SD-CD2 3.56Å; M90-W106 HydrophobicContact CE-CB 4.15Å; M90-W106 HydrophobicContact SD-CB 4.26Å; M90-L107 HydrophobicContact CE-CB 3.68Å; M90-L107 HydrophobicContact CE-CD1 3.98Å; M90-L107 HydrophobicContact CE-CG 4.46Å; M90-L107 HydrophobicContact SD-CB 4.22Å; M90-A110 HydrophobicContact CE-CB 4.49Å; M90-I120 HydrophobicContact CE-CG2 4.25Å; M90-I121 PolarHBondContact N-O 2.71Å; M90-L122 HydrophobicContact CB-CD1 4.13Å; M90-L122 HydrophobicContact CG-CD1 4.13Å; M90-L122 CarbonylContact O-C 3.55Å; M90-L122 WeakPolarHBondContact O-CA 3.38Å; M90-L122 HydrophobicContact SD-CD1 4.3Å; M90-I123 PolarHBondContact O-N 3.02Å
91V91Very high84.7Confident1 Ų131.9 Ų31.91%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-116.2127.3-173-172.10000109.7I17 V18 V23 K25 L28 I123 N125I17-V91 HydrophobicContact CG2-CB 4.46Å; I17-V91 HydrophobicContact CG2-CG2 3.4Å; I17-V91 VanDerWaalsContact CG2-CG2 3.4Å; V18-V91 PolarHBondContact O-N 3.46Å; V23-V91 HydrophobicContact CB-CG1 4.34Å; V23-V91 HydrophobicContact CG2-CB 4.08Å; V23-V91 HydrophobicContact CG2-CG1 3.89Å; K25-V91 HydrophobicContact CG-CB 4.14Å; K25-V91 HydrophobicContact CG-CG2 4.31Å; L28-V91 HydrophobicContact CD1-CB 4.38Å; L28-V91 HydrophobicContact CD1-CG1 3.67Å; L28-V91 HydrophobicContact CD1-CG2 3.74Å; V91-I123 WeakPolarHBondContact CA-O 3.45Å; V91-I123 HydrophobicContact CG2-CB 4.31Å; V91-I123 HydrophobicContact CG2-CD1 4.34Å; V91-N125 HydrophobicContact CG1-CB 3.7Å
92Y92.9Very high85.5Confident0 Ų032.9 Ų32.90%015%0.152CC..EExtended strand (participates in β ladder)trans-120.3170.6166.873.5-78.9000110.4I94 Y100 L103 L122 I123 G124 N125 V135 A140 F151Y92-I94 HydrophobicContact CE2-CG2 3.88Å; Y92-Y100 HydrophobicContact CD2-CD2 4.27Å; Y92-Y100 HydrophobicContact CE2-CD2 4.25Å; Y92-L103 HydrophobicContact CD1-CD1 3.84Å; Y92-L103 HydrophobicContact CD1-CD2 4.45Å; Y92-L103 HydrophobicContact CE1-CD1 4.49Å; Y92-L103 HydrophobicContact CG-CD1 3.98Å; Y92-L122 HydrophobicContact CD1-CD1 3.71Å; Y92-L122 HydrophobicContact CD1-CG 4.16Å; Y92-L122 HydrophobicContact CE1-CD1 4.03Å; Y92-L122 HydrophobicContact CE1-CD2 4.21Å; Y92-L122 HydrophobicContact CE1-CG 3.95Å; Y92-I123 VanDerWaalsContact CD1-O 3.24Å; Y92-I123 WeakPolarHBondContact CD1-O 2.84Å; Y92-I123 PolarHBondContact N-O 2.75Å; Y92-G124 VanDerWaalsContact CZ-CA 3.4Å; Y92-N125 WeakPolarHBondContact O-CB 3.07Å; Y92-N125 PolarHBondContact O-N 2.72Å; Y92-V135 HydrophobicContact CE2-CB 4.05Å; Y92-V135 HydrophobicContact CE2-CG1 3.83Å; Y92-V135 HydrophobicContact CE2-CG2 4.42Å; Y92-A140 HydrophobicContact CE1-CB 4.33Å; Y92-A140 WeakPolarHBondContact OH-CB 3.27Å; Y92-F151 HydrophobicContact CE1-CE2 4.02Å
93D92.6Very high86.4Confident0 Ų032.8 Ų32.80%015%0.151CC..EExtended strand (participates in β ladder)trans-106.6120.3178.2-176.4-9.6000109.4V23 T95 R96 T99 K126V23-D93 HydrophobicContact CB-CB 4.3Å; V23-D93 HydrophobicContact CG1-CB 4.12Å; D93-T95 PolarHBondContact O-N 2.96Å; D93-T95 VanDerWaalsContact O-N 3.16Å; D93-T95 PolarHBondContact OD1-N 3.46Å; D93-T95 VanDerWaalsContact OD1-N 3.11Å; D93-T95 PolarHBondContact OD1-OG1 3.33Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; D93-R96 HydrophobicContact CB-CB 4.23Å; D93-R96 CarbonylContact O-C 3.58Å; D93-R96 PolarHBondContact O-N 3.39Å; D93-R96 IonicContact OD2-CZ 3.34Å; D93-R96 VanDerWaalsContact OD2-CZ 3.25Å; D93-R96 IonicContact OD2-NE 2.71Å; D93-R96 PolarHBondContact OD2-NE 2.69Å; D93-R96 IonicContact OD2-NH2 3.64Å; D93-R96 PolarHBondContact OD2-NH2 3.19Å; D93-T99 HydrophobicContact CB-CG2 4.34Å; D93-T99 PolarHBondContact N-OG1 3.03Å; D93-T99 PolarHBondContact O-OG1 3.35Å; D93-K126 WeakPolarHBondContact OD1-CD 3.43Å; D93-K126 IonicContact OD1-NZ 2.75Å; D93-K126 WeakPolarHBondContact OD2-CE 3.47Å; D93-K126 IonicContact OD2-NZ 2.74Å; D93-K126 PolarHBondContact OD2-NZ 3.31Å
94I93.9Very high87.3Confident0 Ų027.2 Ų27.20%014%0.139CC..THydrogen-bonded Turntrans-64.3-20.8-176.766.8158.4000113.1Y92 N125 K126 D134 V135Y92-I94 HydrophobicContact CE2-CG2 3.88Å; I94-N125 PolarHBondContact N-O 3.22Å; I94-N125 VanDerWaalsContact N-O 3.13Å; I94-K126 WeakPolarHBondContact CD1-O 3.4Å; I94-K126 WeakPolarHBondContact CG1-O 3.29Å; I94-D134 PolarHBondContact O-N 2.79Å; I94-V135 PolarHBondContact O-N 3.17Å; I94-V135 VanDerWaalsContact O-N 3.11Å
95T92.5Very high88.3Confident26 Ų2629.7 Ų29.716%0.1616%0.156CC..THydrogen-bonded Turntrans-90.8-3.617974.40000113.2D93 L129 Q132D93-T95 PolarHBondContact O-N 2.96Å; D93-T95 VanDerWaalsContact O-N 3.16Å; D93-T95 PolarHBondContact OD1-N 3.46Å; D93-T95 VanDerWaalsContact OD1-N 3.11Å; D93-T95 PolarHBondContact OD1-OG1 3.33Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; T95-L129 HydrophobicContact CG2-CB 3.55Å; T95-L129 HydrophobicContact CG2-CD1 3.95Å; T95-L129 HydrophobicContact CG2-CG 4.42Å; T95-Q132 WeakPolarHBondContact CA-O 3.49Å; T95-Q132 WeakPolarHBondContact CB-O 3.36Å; T95-Q132 HydrophobicContact CG2-CB 3.89Å
96R90.6Very high88.8Confident82 Ų8229.8 Ų29.831%0.30916%0.156SC..  trans-132.497.1-178.2-70.1-172.6-68.7150.69.2111.4M21 G22 D93 S98 T99M21-R96 PolarHBondContact O-NH1 3.35Å; G22-R96 PolarHBondContact O-NH2 3.22Å; D93-R96 HydrophobicContact CB-CB 4.23Å; D93-R96 CarbonylContact O-C 3.58Å; D93-R96 PolarHBondContact O-N 3.39Å; D93-R96 IonicContact OD2-CZ 3.34Å; D93-R96 VanDerWaalsContact OD2-CZ 3.25Å; D93-R96 IonicContact OD2-NE 2.71Å; D93-R96 PolarHBondContact OD2-NE 2.69Å; D93-R96 IonicContact OD2-NH2 3.64Å; D93-R96 PolarHBondContact OD2-NH2 3.19Å; R96-S98 PolarHBondContact O-N 3.38Å; R96-S98 VanDerWaalsContact O-N 3.16Å; R96-T99 HydrophobicContact CB-CG2 3.99Å; R96-T99 PolarHBondContact O-N 3.31Å; R96-T99 PolarHBondContact O-OG1 2.93Å
97R90.7Very high89.1Confident98 Ų9830.3 Ų30.337%0.3716%0.159SC..Hα-helixtrans-60.5-25.3178179.6165.1-100.6-177.7-6114.8T99 Y100 N101 D134 V135 E139R97-T99 PolarHBondContact O-N 3.12Å; R97-Y100 WeakPolarHBondContact O-CB 3.4Å; R97-Y100 PolarHBondContact O-N 3.26Å; R97-Y100 VanDerWaalsContact O-N 3.12Å; R97-N101 PolarHBondContact O-N 3.26Å; R97-D134 HydrophobicContact CB-CB 4.4Å; R97-D134 WeakPolarHBondContact CB-OD2 3.39Å; R97-D134 PolarHBondContact N-OD2 2.9Å; R97-D134 VanDerWaalsContact N-OD2 3.09Å; R97-D134 PolarHBondContact NE-O 3.08Å; R97-V135 HydrophobicContact CB-CG2 4.03Å; R97-V135 HydrophobicContact CG-CG2 4.4Å; R97-E139 IonicContact CZ-OE2 3.85Å; R97-E139 IonicContact NE-OE2 3.25Å; R97-E139 IonicContact NH2-OE1 2.86Å; R97-E139 PolarHBondContact NH2-OE1 3.44Å; R97-E139 IonicContact NH2-OE2 2.66Å; R97-E139 PolarHBondContact NH2-OE2 3.38Å
98S89.6Confident89.2Confident66 Ų6634 Ų3446%0.46218%0.181SC..Hα-helixtrans-57.3-38.3173.256.10000112.6R96 Y100 N101 H102R96-S98 PolarHBondContact O-N 3.38Å; R96-S98 VanDerWaalsContact O-N 3.16Å; S98-Y100 VanDerWaalsContact C-N 3.31Å; S98-Y100 PolarHBondContact O-N 2.89Å; S98-N101 PolarHBondContact O-N 2.99Å; S98-H102 PolarHBondContact O-N 2.98Å
99T89.1Confident89Confident3 Ų335.6 Ų35.62%0.01819%0.19CC..Hα-helixtrans-70.2-31.3179.470.10000112D20 V23 D93 R96 R97D20-T99 HydrophobicContact CB-CG2 3.98Å; V23-T99 HydrophobicContact CG1-CG2 3.75Å; D93-T99 HydrophobicContact CB-CG2 4.34Å; D93-T99 PolarHBondContact N-OG1 3.03Å; D93-T99 PolarHBondContact O-OG1 3.35Å; R96-T99 HydrophobicContact CB-CG2 3.99Å; R96-T99 PolarHBondContact O-N 3.31Å; R96-T99 PolarHBondContact O-OG1 2.93Å; R97-T99 PolarHBondContact O-N 3.12Å
100Y90.5Very high88.6Confident30 Ų3035.5 Ų35.512%0.11819%0.189CC..Hα-helixtrans-69.2-44.4173.5176.3-97.8000111.8Y92 R97 S98 H102 L103 V135 E139 A140 F143Y92-Y100 HydrophobicContact CD2-CD2 4.27Å; Y92-Y100 HydrophobicContact CE2-CD2 4.25Å; R97-Y100 WeakPolarHBondContact O-CB 3.4Å; R97-Y100 PolarHBondContact O-N 3.26Å; R97-Y100 VanDerWaalsContact O-N 3.12Å; S98-Y100 VanDerWaalsContact C-N 3.31Å; S98-Y100 PolarHBondContact O-N 2.89Å; Y100-H102 PolarHBondContact O-N 2.77Å; Y100-L103 HydrophobicContact CD2-CD1 3.37Å; Y100-L103 HydrophobicContact CE2-CD1 3.87Å; Y100-L103 HydrophobicContact CG-CD1 4.09Å; Y100-L103 WeakPolarHBondContact O-CB 3.34Å; Y100-L103 WeakPolarHBondContact O-CD1 3.43Å; Y100-L103 VanDerWaalsContact O-CG 3.25Å; Y100-L103 WeakPolarHBondContact O-CG 3.31Å; Y100-L103 PolarHBondContact O-N 3.4Å; Y100-V135 HydrophobicContact CD1-CG1 4.42Å; Y100-V135 HydrophobicContact CD2-CG1 3.68Å; Y100-V135 HydrophobicContact CE2-CG1 4.05Å; Y100-V135 HydrophobicContact CG-CG1 3.9Å; Y100-V135 HydrophobicContact CG-CG2 4.09Å; Y100-E139 PolarHBondContact OH-O 3.05Å; Y100-A140 HydrophobicContact CE2-CB 4Å; Y100-F143 HydrophobicContact CE2-CB 4.49Å; Y100-F143 WeakPolarHBondContact OH-CB 3.46Å
101N90.1Very high88.3Confident103 Ų10340 Ų4055%0.55121%0.206SC*.Hα-helixtrans-60.6-30.4177.9-67.8-21.7000112.8R97 S98 L103R97-N101 PolarHBondContact O-N 3.26Å; S98-N101 PolarHBondContact O-N 2.99Å; N101-L103 VanDerWaalsContact C-N 3.3Å; N101-L103 PolarHBondContact O-N 2.78Å
102H87.1Confident87.9Confident91 Ų9145.7 Ų45.742%0.42124%0.236SC..THydrogen-bonded Turntrans-77.3-12.3176.8-64.6163.1000113.8D20 S98 Y100 S104 S105 W106D20-H102 IonicContact OD1-ND1 3.02Å; D20-H102 IonicContact OD2-CE1 2.72Å; D20-H102 IonicContact OD2-CG 3.57Å; D20-H102 IonicContact OD2-ND1 3.7Å; D20-H102 PolarHBondContact OD2-ND1 3.04Å; S98-H102 PolarHBondContact O-N 2.98Å; Y100-H102 PolarHBondContact O-N 2.77Å; H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 3.03Å; H102-S105 WeakPolarHBondContact O-CB 3.18Å; H102-S105 PolarHBondContact O-N 2.84Å; H102-S105 VanDerWaalsContact O-N 3.11Å; H102-W106 PolarHBondContact O-N 3.22Å
103L87.4Confident87.1Confident1 Ų148.3 Ų48.31%0.00525%0.25CS..Hα-helixtrans-56.8-39.8178.6-70.6170.9000112.3M90 Y92 Y100 N101 S105 W106 L107 L122 F143M90-L103 HydrophobicContact CG-CD2 3.44Å; M90-L103 VanDerWaalsContact CG-CD2 3.44Å; M90-L103 HydrophobicContact SD-CB 4.23Å; M90-L103 HydrophobicContact SD-CD2 3.56Å; M90-L103 VanDerWaalsContact SD-CD2 3.56Å; Y92-L103 HydrophobicContact CD1-CD1 3.84Å; Y92-L103 HydrophobicContact CD1-CD2 4.45Å; Y92-L103 HydrophobicContact CE1-CD1 4.49Å; Y92-L103 HydrophobicContact CG-CD1 3.98Å; Y100-L103 HydrophobicContact CD2-CD1 3.37Å; Y100-L103 HydrophobicContact CE2-CD1 3.87Å; Y100-L103 HydrophobicContact CG-CD1 4.09Å; Y100-L103 WeakPolarHBondContact O-CB 3.34Å; Y100-L103 WeakPolarHBondContact O-CD1 3.43Å; Y100-L103 VanDerWaalsContact O-CG 3.25Å; Y100-L103 WeakPolarHBondContact O-CG 3.31Å; Y100-L103 PolarHBondContact O-N 3.4Å; N101-L103 VanDerWaalsContact C-N 3.3Å; N101-L103 PolarHBondContact O-N 2.78Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.47Å; L103-W106 CarbonylContact O-C 3.52Å; L103-W106 PolarHBondContact O-N 3.48Å; L103-W106 VanDerWaalsContact O-N 3.15Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 PolarHBondContact O-N 3.32Å; L103-L122 HydrophobicContact CD1-CD1 3.68Å; L103-L122 HydrophobicContact CD1-CD2 4.35Å; L103-L122 HydrophobicContact CD2-CD1 3.56Å; L103-L122 HydrophobicContact CG-CD1 4.25Å; L103-F143 HydrophobicContact CB-CE1 4.15Å; L103-F143 HydrophobicContact CB-CZ 4.18Å
104S87.9Confident86.1Confident59 Ų5948.9 Ų48.941%0.41325%0.254SS..Hα-helixtrans-59.8-39178.5-55.80000112.4H102 T108 F143H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 3.03Å; S104-T108 WeakPolarHBondContact O-CB 3.48Å; S104-T108 PolarHBondContact O-N 2.81Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S104-F143 WeakPolarHBondContact OG-CE2 3.33Å
105S86.6Confident85.1Confident57 Ų5751.2 Ų51.240%0.39927%0.266SS..Hα-helixtrans-69.5-44.4175178.20000111.2H102 L103 L107 T108 D109H102-S105 WeakPolarHBondContact O-CB 3.18Å; H102-S105 PolarHBondContact O-N 2.84Å; H102-S105 VanDerWaalsContact O-N 3.11Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.47Å; S105-L107 VanDerWaalsContact C-N 3.29Å; S105-L107 PolarHBondContact O-N 2.91Å; S105-T108 PolarHBondContact O-N 3.27Å; S105-D109 PolarHBondContact O-N 2.86Å
106W84.9Confident84.1Confident4 Ų454.8 Ų54.82%0.01529%0.29CS..Hα-helixtrans-62.2-37.3176.4-74.6116.1000112.5V18 D20 R75 M90 H102 L103 A110V18-W106 HydrophobicContact CB-CE3 4.21Å; D20-W106 PolarHBondContact OD1-NE1 3.39Å; R75-W106 HydrophobicContact CG-CH2 4.01Å; R75-W106 HydrophobicContact CG-CZ3 4.28Å; R75-W106 VanDerWaalsContact NH2-CE2 3.26Å; R75-W106 VanDerWaalsContact NH2-CZ2 3.34Å; M90-W106 HydrophobicContact CE-CB 4.15Å; M90-W106 HydrophobicContact SD-CB 4.26Å; H102-W106 PolarHBondContact O-N 3.22Å; L103-W106 CarbonylContact O-C 3.52Å; L103-W106 PolarHBondContact O-N 3.48Å; L103-W106 VanDerWaalsContact O-N 3.15Å; W106-A110 VanDerWaalsContact O-CB 3.29Å; W106-A110 WeakPolarHBondContact O-CB 3.44Å; W106-A110 PolarHBondContact O-N 2.87Å
107L86.1Confident83.3Confident10 Ų1054.5 Ų54.55%0.05230%0.295CS..Hα-helixtrans-68.5-44.717817863.8000111.5M90 L103 S105 D109 A110 R111 I120 F143 N147 L149M90-L107 HydrophobicContact CE-CB 3.68Å; M90-L107 HydrophobicContact CE-CD1 3.98Å; M90-L107 HydrophobicContact CE-CG 4.46Å; M90-L107 HydrophobicContact SD-CB 4.22Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 PolarHBondContact O-N 3.32Å; S105-L107 VanDerWaalsContact C-N 3.29Å; S105-L107 PolarHBondContact O-N 2.91Å; L107-D109 VanDerWaalsContact C-N 3.32Å; L107-D109 PolarHBondContact O-N 3.24Å; L107-A110 PolarHBondContact O-N 3.35Å; L107-R111 HydrophobicContact CD1-CG 4.11Å; L107-R111 HydrophobicContact CG-CG 4.47Å; L107-R111 WeakPolarHBondContact O-CB 3.36Å; L107-R111 WeakPolarHBondContact O-CG 3.42Å; L107-R111 PolarHBondContact O-N 3.2Å; L107-I120 HydrophobicContact CD1-CD1 3.98Å; L107-F143 HydrophobicContact CD2-CE1 4.42Å; L107-F143 HydrophobicContact CD2-CZ 4.14Å; L107-N147 HydrophobicContact CD2-CB 3.72Å; L107-N147 VanDerWaalsContact CD2-CG 3.49Å; L107-N147 VanDerWaalsContact CD2-OD1 3.28Å; L107-N147 WeakPolarHBondContact CD2-OD1 3.42Å; L107-L149 HydrophobicContact CD1-CD1 3.98Å; L107-L149 HydrophobicContact CD1-CD2 3.66Å; L107-L149 HydrophobicContact CD1-CG 4.45Å; L107-L149 HydrophobicContact CD2-CD1 4.16Å
108T85.9Confident82.9Confident79 Ų7950.2 Ų50.249%0.48528%0.279SS..Hα-helixtrans-59.9-46.1175.7-57.90000110.4S104 S105 R111 N112S104-T108 WeakPolarHBondContact O-CB 3.48Å; S104-T108 PolarHBondContact O-N 2.81Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S105-T108 PolarHBondContact O-N 3.27Å; T108-R111 PolarHBondContact O-N 2.9Å; T108-N112 WeakPolarHBondContact CG2-ND2 3.24Å; T108-N112 WeakPolarHBondContact O-CB 3.44Å; T108-N112 PolarHBondContact O-N 2.98Å; T108-N112 PolarHBondContact O-ND2 3.27Å
109D81.6Confident82.7Confident36 Ų3647.6 Ų47.619%0.19326%0.26CS..Hα-helixtrans-61.9-47.1176-78.6-11.7000111.6R75 S105 L107 R111 N112 L113R75-D109 IonicContact NE-OD2 3.63Å; S105-D109 PolarHBondContact O-N 2.86Å; L107-D109 VanDerWaalsContact C-N 3.32Å; L107-D109 PolarHBondContact O-N 3.24Å; D109-R111 PolarHBondContact O-N 2.81Å; D109-N112 PolarHBondContact O-N 3.39Å; D109-L113 HydrophobicContact CB-CD1 4.41Å; D109-L113 VanDerWaalsContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 WeakPolarHBondContact O-CD1 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.32Å; D109-L113 PolarHBondContact O-N 3.48Å
110A79.7Confident82.7Confident0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-58.4-51.6178.300000110.8Y82 M90 W106 L107 N112 L113 T114 I120Y82-A110 HydrophobicContact CE1-CB 4.19Å; M90-A110 HydrophobicContact CE-CB 4.49Å; W106-A110 VanDerWaalsContact O-CB 3.29Å; W106-A110 WeakPolarHBondContact O-CB 3.44Å; W106-A110 PolarHBondContact O-N 2.87Å; L107-A110 PolarHBondContact O-N 3.35Å; A110-N112 VanDerWaalsContact C-N 3.29Å; A110-N112 PolarHBondContact O-N 3.4Å; A110-L113 PolarHBondContact O-N 3.5Å; A110-T114 WeakPolarHBondContact O-CB 3.39Å; A110-T114 VanDerWaalsContact O-CG2 3.3Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 3.03Å; A110-T114 PolarHBondContact O-OG1 3.15Å; A110-I120 HydrophobicContact CB-CD1 4.26Å
111R83.4Confident82.8Confident94 Ų9446.4 Ų46.436%0.35526%0.256SS..Hα-helixtrans-61.2-34.7179.5-72.2-70.2-168.6-177.61.4113.3L107 T108 D109 I120 N147L107-R111 HydrophobicContact CD1-CG 4.11Å; L107-R111 HydrophobicContact CG-CG 4.47Å; L107-R111 WeakPolarHBondContact O-CB 3.36Å; L107-R111 WeakPolarHBondContact O-CG 3.42Å; L107-R111 PolarHBondContact O-N 3.2Å; T108-R111 PolarHBondContact O-N 2.9Å; D109-R111 PolarHBondContact O-N 2.81Å; R111-I120 HydrophobicContact CG-CD1 4.25Å; R111-N147 PolarHBondContact NH2-O 3.48Å
112N82.4Confident82.9Confident120 Ų12041.5 Ų41.564%0.64223%0.23SC*.Hα-helixtrans-76.5-26.8179-74.2-28.8000113.4T108 D109 A110T108-N112 WeakPolarHBondContact CG2-ND2 3.24Å; T108-N112 WeakPolarHBondContact O-CB 3.44Å; T108-N112 PolarHBondContact O-N 2.98Å; T108-N112 PolarHBondContact O-ND2 3.27Å; D109-N112 PolarHBondContact O-N 3.39Å; A110-N112 VanDerWaalsContact C-N 3.29Å; A110-N112 PolarHBondContact O-N 3.4Å
113L76Confident83.2Confident55 Ų5537.2 Ų37.229%0.28821%0.21SC..Hα-helixtrans-102.9-19.8-174.1-62.1167.9000113.2R79 Y82 D109 A110R79-L113 HydrophobicContact CG-CD1 3.74Å; R79-L113 HydrophobicContact CG-CD2 4.11Å; Y82-L113 HydrophobicContact CD1-CB 4.07Å; Y82-L113 HydrophobicContact CD1-CD1 4.38Å; Y82-L113 HydrophobicContact CD2-CB 4.41Å; Y82-L113 HydrophobicContact CD2-CD1 3.91Å; Y82-L113 HydrophobicContact CE2-CD1 4.1Å; Y82-L113 HydrophobicContact CG-CB 3.78Å; Y82-L113 HydrophobicContact CG-CD1 4.05Å; D109-L113 HydrophobicContact CB-CD1 4.41Å; D109-L113 VanDerWaalsContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 WeakPolarHBondContact O-CD1 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.32Å; D109-L113 PolarHBondContact O-N 3.48Å; A110-L113 PolarHBondContact O-N 3.5Å
114T73Confident83.5Confident13 Ų1337.2 Ų37.28%0.0821%0.21CC..SBendtrans-102.7173.5176.871.30000111.8Y82 A85 A110 T118Y82-T114 HydrophobicContact CD1-CG2 3.7Å; Y82-T114 HydrophobicContact CG-CG2 4.35Å; A85-T114 HydrophobicContact CB-CG2 4.04Å; A110-T114 WeakPolarHBondContact O-CB 3.39Å; A110-T114 VanDerWaalsContact O-CG2 3.3Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 3.03Å; A110-T114 PolarHBondContact O-OG1 3.15Å; T114-T118 WeakPolarHBondContact CB-OG1 3.27Å; T114-T118 HydrophobicContact CG2-CG2 4.21Å
115N72.2Confident83.7Confident49 Ų4934.6 Ų34.626%0.26219%0.191SC..  trans-74155.7173.4-71.5-38.1000111.2N117 T118 E188N115-N117 PolarHBondContact O-N 3.46Å; N115-T118 PolarHBondContact N-OG1 3.25Å; N115-T118 VanDerWaalsContact O-CB 3.26Å; N115-T118 WeakPolarHBondContact O-CB 3.26Å; N115-T118 PolarHBondContact O-N 3.48Å; N115-T118 VanDerWaalsContact O-N 3.11Å; N115-T118 PolarHBondContact O-OG1 2.69Å; N115-T118 VanDerWaalsContact O-OG1 3.05Å; N115-E188 PolarHBondContact ND2-O 2.94Å
116P72.3Confident83.8Confident101 Ų10134.4 Ų34.466%0.65618%0.183SC*.THydrogen-bonded Turntrans-60.4-27.3175.722.7-33000112.8T118P116-T118 VanDerWaalsContact C-N 3.31Å
117N73.9Confident84.1Confident76 Ų7635 Ų3541%0.40619%0.189SC..THydrogen-bonded Turntrans-87.21.6-178.7-58.4-15.3000113.5N115 V119 S181 L182N115-N117 PolarHBondContact O-N 3.46Å; N117-V119 PolarHBondContact O-N 2.74Å; N117-S181 PolarHBondContact ND2-O 2.75Å; N117-L182 HydrophobicContact CB-CD2 3.58Å; N117-L182 HydrophobicContact CB-CG 4.21Å
118T80.9Confident84.3Confident7 Ų736.9 Ų36.94%0.04320%0.199CC..  trans-66.8127.5176.5-60.80000110A85 T114 N115 P116A85-T118 HydrophobicContact CB-CG2 4.45Å; A85-T118 WeakPolarHBondContact O-CG2 3.38Å; A85-T118 PolarHBondContact O-OG1 3.39Å; T114-T118 WeakPolarHBondContact CB-OG1 3.27Å; T114-T118 HydrophobicContact CG2-CG2 4.21Å; N115-T118 PolarHBondContact N-OG1 3.25Å; N115-T118 VanDerWaalsContact O-CB 3.26Å; N115-T118 WeakPolarHBondContact O-CB 3.26Å; N115-T118 PolarHBondContact O-N 3.48Å; N115-T118 VanDerWaalsContact O-N 3.11Å; N115-T118 PolarHBondContact O-OG1 2.69Å; N115-T118 VanDerWaalsContact O-OG1 3.05Å; P116-T118 VanDerWaalsContact C-N 3.31Å
119V86.1Confident84.5Confident11 Ų1135.5 Ų35.57%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-79.3123.3176.7176.40000109.3A86 G87 A88 N117 L150 K172 I173 N176A86-V119 PolarHBondContact O-N 3.4Å; A86-V119 VanDerWaalsContact O-N 3.14Å; G87-V119 CarbonylContact C-O 3.59Å; G87-V119 WeakPolarHBondContact CA-O 3.41Å; A88-V119 PolarHBondContact N-O 3.34Å; N117-V119 PolarHBondContact O-N 2.74Å; V119-L150 HydrophobicContact CG1-CD1 4.03Å; V119-K172 HydrophobicContact CB-CG 4.5Å; V119-K172 HydrophobicContact CG1-CB 3.94Å; V119-K172 HydrophobicContact CG1-CG 3.79Å; V119-K172 HydrophobicContact CG2-CB 4.27Å; V119-K172 HydrophobicContact CG2-CG 3.83Å; V119-I173 HydrophobicContact CB-CG1 3.76Å; V119-I173 HydrophobicContact CG2-CB 4.49Å; V119-I173 HydrophobicContact CG2-CG1 3.65Å; V119-N176 WeakPolarHBondContact CG2-ND2 3.45Å
120I89.1Confident84.8Confident6 Ų638.7 Ų38.73%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-111.6128177.8-52.9177.6000108.7A88 M90 L107 A110 R111 L149 L150A88-I120 HydrophobicContact CB-CG1 4.35Å; A88-I120 WeakPolarHBondContact O-CA 3.45Å; M90-I120 HydrophobicContact CE-CG2 4.25Å; L107-I120 HydrophobicContact CD1-CD1 3.98Å; A110-I120 HydrophobicContact CB-CD1 4.26Å; R111-I120 HydrophobicContact CG-CD1 4.25Å; I120-L149 HydrophobicContact CB-CD2 3.75Å; I120-L149 HydrophobicContact CD1-CD2 4.4Å; I120-L149 HydrophobicContact CG2-CD2 3.88Å; I120-L150 PolarHBondContact O-N 3.31Å; I120-L150 VanDerWaalsContact O-N 3.08Å
121I91.3Very high85.3Confident2 Ų243.9 Ų43.91%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-115.4129.7173.7-176.2166.8000109.8A88 L89 M90 I123 L150 L152 A165 A169A88-I121 PolarHBondContact O-N 3.23Å; L89-I121 CarbonylContact C-O 3.55Å; L89-I121 WeakPolarHBondContact CA-O 3.32Å; L89-I121 HydrophobicContact CB-CG2 4.04Å; L89-I121 HydrophobicContact CD2-CG2 3.95Å; L89-I121 HydrophobicContact CG-CG2 3.52Å; M90-I121 PolarHBondContact N-O 2.71Å; I121-I123 HydrophobicContact CG1-CG1 4.29Å; I121-L150 CarbonylContact C-O 3.59Å; I121-L150 WeakPolarHBondContact CA-O 3.41Å; I121-L150 HydrophobicContact CB-CB 3.95Å; I121-L150 HydrophobicContact CD1-CB 4.12Å; I121-L150 HydrophobicContact CG1-CB 3.75Å; I121-L152 HydrophobicContact CD1-CB 4.49Å; I121-A165 HydrophobicContact CD1-CB 4.28Å; I121-A165 WeakPolarHBondContact CD1-O 3.44Å; I121-A169 HydrophobicContact CG2-CB 4.16Å
122L92.8Very high85.7Confident0 Ų045.6 Ų45.60%026%0.258CS..EExtended strand (participates in β ladder)trans-90.4130.1172-178.564.4000109.9M90 Y92 L103 F143 A144 L150 F151 L152M90-L122 HydrophobicContact CB-CD1 4.13Å; M90-L122 HydrophobicContact CG-CD1 4.13Å; M90-L122 CarbonylContact O-C 3.55Å; M90-L122 WeakPolarHBondContact O-CA 3.38Å; M90-L122 HydrophobicContact SD-CD1 4.3Å; Y92-L122 HydrophobicContact CD1-CD1 3.71Å; Y92-L122 HydrophobicContact CD1-CG 4.16Å; Y92-L122 HydrophobicContact CE1-CD1 4.03Å; Y92-L122 HydrophobicContact CE1-CD2 4.21Å; Y92-L122 HydrophobicContact CE1-CG 3.95Å; L103-L122 HydrophobicContact CD1-CD1 3.68Å; L103-L122 HydrophobicContact CD1-CD2 4.35Å; L103-L122 HydrophobicContact CD2-CD1 3.56Å; L103-L122 HydrophobicContact CG-CD1 4.25Å; L122-F143 HydrophobicContact CD2-CD1 3.96Å; L122-A144 HydrophobicContact CD2-CB 4.21Å; L122-L150 PolarHBondContact N-O 2.87Å; L122-F151 HydrophobicContact CB-CD2 4.1Å; L122-F151 HydrophobicContact CD2-CD2 3.9Å; L122-F151 HydrophobicContact CD2-CE2 4.33Å; L122-F151 HydrophobicContact CG-CD2 3.91Å; L122-F151 HydrophobicContact CG-CE2 4.39Å; L122-F151 WeakPolarHBondContact O-CA 3.48Å; L122-L152 PolarHBondContact O-N 3.13Å
123I93.3Very high86.2Confident2 Ų242.8 Ų42.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-124.2116.2-177.6-58.5168.8000109.7L28 L89 M90 V91 Y92 I121 N125 L152 A154 A165L28-I123 HydrophobicContact CD1-CG2 4.27Å; L89-I123 HydrophobicContact CB-CD1 3.83Å; L89-I123 HydrophobicContact CD2-CD1 3.29Å; L89-I123 HydrophobicContact CG-CD1 3.99Å; M90-I123 PolarHBondContact O-N 3.02Å; V91-I123 WeakPolarHBondContact CA-O 3.45Å; V91-I123 HydrophobicContact CG2-CB 4.31Å; V91-I123 HydrophobicContact CG2-CD1 4.34Å; Y92-I123 VanDerWaalsContact CD1-O 3.24Å; Y92-I123 WeakPolarHBondContact CD1-O 2.84Å; Y92-I123 PolarHBondContact N-O 2.75Å; I121-I123 HydrophobicContact CG1-CG1 4.29Å; I123-N125 PolarHBondContact O-N 3.02Å; I123-L152 VanDerWaalsContact CA-O 3.22Å; I123-L152 WeakPolarHBondContact CA-O 3.3Å; I123-A154 HydrophobicContact CG2-CB 3.85Å; I123-A165 HydrophobicContact CD1-CB 3.88Å; I123-A165 HydrophobicContact CG1-CB 4.28Å
124G94.4Very high87Confident0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-81.699.7165.400000109.4Y92 L152 E153 A154Y92-G124 VanDerWaalsContact CZ-CA 3.4Å; G124-L152 PolarHBondContact N-O 3.36Å; G124-E153 CarbonylContact O-C 3.54Å; G124-E153 VanDerWaalsContact O-CA 3.32Å; G124-E153 WeakPolarHBondContact O-CA 3.36Å; G124-A154 PolarHBondContact O-N 2.83Å
125N91.3Very high87.9Confident4 Ų443.4 Ų43.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-82.9161.9178.4-16731.3000111.4V23 L28 V91 Y92 I94 I123 A154 A156V23-N125 PolarHBondContact O-ND2 3.16Å; L28-N125 HydrophobicContact CD1-CB 4.37Å; V91-N125 HydrophobicContact CG1-CB 3.7Å; Y92-N125 WeakPolarHBondContact O-CB 3.07Å; Y92-N125 PolarHBondContact O-N 2.72Å; I94-N125 PolarHBondContact N-O 3.22Å; I94-N125 VanDerWaalsContact N-O 3.13Å; I123-N125 PolarHBondContact O-N 3.02Å; N125-A154 CarbonylContact C-O 3.55Å; N125-A154 VanDerWaalsContact CA-O 3.24Å; N125-A154 WeakPolarHBondContact CA-O 3.31Å; N125-A154 PolarHBondContact OD1-O 3.01Å; N125-A156 PolarHBondContact OD1-N 3.18Å
126K90.3Very high88.9Confident53 Ų5344.3 Ų44.323%0.2325%0.248CC..  trans6934.7-176.7-46.3-168.4-167.4167.70113.7G22 D93 I94 D128 L129 A154G22-K126 PolarHBondContact O-NZ 3.06Å; D93-K126 WeakPolarHBondContact OD1-CD 3.43Å; D93-K126 IonicContact OD1-NZ 2.75Å; D93-K126 WeakPolarHBondContact OD2-CE 3.47Å; D93-K126 IonicContact OD2-NZ 2.74Å; D93-K126 PolarHBondContact OD2-NZ 3.31Å; I94-K126 WeakPolarHBondContact CD1-O 3.4Å; I94-K126 WeakPolarHBondContact CG1-O 3.29Å; K126-D128 WeakPolarHBondContact CA-OD1 3.34Å; K126-D128 PolarHBondContact O-N 2.73Å; K126-L129 HydrophobicContact CB-CD1 4.19Å; K126-L129 HydrophobicContact CB-CG 4.42Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 WeakPolarHBondContact O-CB 3.43Å; K126-L129 PolarHBondContact O-N 2.77Å; K126-A154 PolarHBondContact N-O 2.97Å
127A90.6Very high89.9Confident18 Ų1844.2 Ų44.215%0.14924%0.236CC..G310 helixtrans-53.5-22.2172.100000113.6L129 E153 A154A127-L129 PolarHBondContact O-N 2.99Å; A127-E153 HydrophobicContact CB-CB 4.27Å; A127-A154 PolarHBondContact N-O 2.85Å; A127-A154 VanDerWaalsContact N-O 3.16Å
128D90.1Very high90.8Very high49 Ų4947.9 Ų47.926%0.26225%0.25SS..G310 helixtrans-64.8-16.6172.561-74.5000114.2K126 S155 K157 T158K126-D128 WeakPolarHBondContact CA-OD1 3.34Å; K126-D128 PolarHBondContact O-N 2.73Å; D128-S155 WeakPolarHBondContact OD1-CB 3.19Å; D128-S155 PolarHBondContact OD1-OG 3.49Å; D128-K157 WeakPolarHBondContact OD2-CD 3.19Å; D128-K157 IonicContact OD2-NZ 2.69Å; D128-T158 HydrophobicContact CB-CG2 3.97Å
129L90.3Very high91.4Very high49 Ų4949.4 Ų49.426%0.25726%0.257SS..G310 helixtrans-101.940.4180-59.5-179.4000112.3T95 K126 A127 A131 Q132 R133T95-L129 HydrophobicContact CG2-CB 3.55Å; T95-L129 HydrophobicContact CG2-CD1 3.95Å; T95-L129 HydrophobicContact CG2-CG 4.42Å; K126-L129 HydrophobicContact CB-CD1 4.19Å; K126-L129 HydrophobicContact CB-CG 4.42Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 WeakPolarHBondContact O-CB 3.43Å; K126-L129 PolarHBondContact O-N 2.77Å; A127-L129 PolarHBondContact O-N 2.99Å; L129-A131 PolarHBondContact O-N 3.29Å; L129-A131 VanDerWaalsContact O-N 3.14Å; L129-Q132 PolarHBondContact O-N 2.9Å; L129-R133 PolarHBondContact O-N 3.49Å
130E88.4Confident91.6Very high103 Ų10348.9 Ų48.948%0.48125%0.254SS..G310 helixtrans-50.9-39179.8-17160.1-152.800113.3Q132 R133E130-Q132 PolarHBondContact O-N 3.14Å; E130-Q132 VanDerWaalsContact O-N 3.13Å; E130-R133 WeakPolarHBondContact O-CB 3.38Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 IonicContact OE1-CZ 2.79Å; E130-R133 IonicContact OE1-NE 3.58Å; E130-R133 PolarHBondContact OE1-NE 2.71Å; E130-R133 IonicContact OE1-NH2 3.56Å; E130-R133 PolarHBondContact OE1-NH2 3.17Å; E130-R133 IonicContact OE2-CZ 3.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.26Å; E130-R133 IonicContact OE2-NE 3.76Å; E130-R133 PolarHBondContact OE2-NE 3.05Å; E130-R133 IonicContact OE2-NH2 3.09Å; E130-R133 PolarHBondContact OE2-NH2 2.81Å
131A89.6Confident91.8Very high109 Ų10952.5 Ų52.590%0.90127%0.269SS*.G310 helixtrans-65.1-15.9179.100000114.3L129L129-A131 PolarHBondContact O-N 3.29Å; L129-A131 VanDerWaalsContact O-N 3.14Å
132Q91.4Very high92Very high131 Ų13157.6 Ų57.661%0.61229%0.293SS*.G310 helixtrans-113.416.7178.8-60.9178.131.800111.6T95 L129 E130 D134T95-Q132 WeakPolarHBondContact CA-O 3.49Å; T95-Q132 WeakPolarHBondContact CB-O 3.36Å; T95-Q132 HydrophobicContact CG2-CB 3.89Å; L129-Q132 PolarHBondContact O-N 2.9Å; E130-Q132 PolarHBondContact O-N 3.14Å; E130-Q132 VanDerWaalsContact O-N 3.13Å; Q132-D134 PolarHBondContact O-N 3.31Å
133R93.1Very high91.9Very high60 Ų6058.8 Ų58.823%0.22630%0.298CS..  trans-61.6125-179.2-177.1-172.7-78.6-103.85.5110.5L129 E130 V135 E153L129-R133 PolarHBondContact O-N 3.49Å; E130-R133 WeakPolarHBondContact O-CB 3.38Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 IonicContact OE1-CZ 2.79Å; E130-R133 IonicContact OE1-NE 3.58Å; E130-R133 PolarHBondContact OE1-NE 2.71Å; E130-R133 IonicContact OE1-NH2 3.56Å; E130-R133 PolarHBondContact OE1-NH2 3.17Å; E130-R133 IonicContact OE2-CZ 3.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.26Å; E130-R133 IonicContact OE2-NE 3.76Å; E130-R133 PolarHBondContact OE2-NE 3.05Å; E130-R133 IonicContact OE2-NH2 3.09Å; E130-R133 PolarHBondContact OE2-NH2 2.81Å; R133-V135 VanDerWaalsContact CD-O 3.27Å; R133-V135 WeakPolarHBondContact CD-O 3.42Å; R133-V135 WeakPolarHBondContact CG-O 3.26Å; R133-V135 PolarHBondContact NH1-O 2.6Å; R133-E153 IonicContact CZ-OE1 3.81Å; R133-E153 IonicContact CZ-OE2 3.69Å; R133-E153 IonicContact NH1-OE1 3.63Å; R133-E153 PolarHBondContact NH1-OE1 3.21Å; R133-E153 IonicContact NH1-OE2 3.42Å; R133-E153 IonicContact NH2-OE1 3.26Å; R133-E153 PolarHBondContact NH2-OE1 3.05Å; R133-E153 IonicContact NH2-OE2 3.95Å; R133-E153 PolarHBondContact NH2-OE2 2.83Å
134D93.1Very high91.9Very high82 Ų8258.7 Ų58.744%0.43930%0.298SS..  trans-110.8-17.3176.4-164.526.3000111.1I94 R97 Q132I94-D134 PolarHBondContact O-N 2.79Å; R97-D134 HydrophobicContact CB-CB 4.4Å; R97-D134 WeakPolarHBondContact CB-OD2 3.39Å; R97-D134 PolarHBondContact N-OD2 2.9Å; R97-D134 VanDerWaalsContact N-OD2 3.09Å; R97-D134 PolarHBondContact NE-O 3.08Å; Q132-D134 PolarHBondContact O-N 3.31Å
135V92.1Very high91.8Very high0 Ų064.8 Ų64.80%033%0.326CS..SBendtrans-119.9118.1176.1-1750000109.5Y92 I94 R97 Y100 R133 E139 A140Y92-V135 HydrophobicContact CE2-CB 4.05Å; Y92-V135 HydrophobicContact CE2-CG1 3.83Å; Y92-V135 HydrophobicContact CE2-CG2 4.42Å; I94-V135 PolarHBondContact O-N 3.17Å; I94-V135 VanDerWaalsContact O-N 3.11Å; R97-V135 HydrophobicContact CB-CG2 4.03Å; R97-V135 HydrophobicContact CG-CG2 4.4Å; Y100-V135 HydrophobicContact CD1-CG1 4.42Å; Y100-V135 HydrophobicContact CD2-CG1 3.68Å; Y100-V135 HydrophobicContact CE2-CG1 4.05Å; Y100-V135 HydrophobicContact CG-CG1 3.9Å; Y100-V135 HydrophobicContact CG-CG2 4.09Å; R133-V135 VanDerWaalsContact CD-O 3.27Å; R133-V135 WeakPolarHBondContact CD-O 3.42Å; R133-V135 WeakPolarHBondContact CG-O 3.26Å; R133-V135 PolarHBondContact NH1-O 2.6Å; V135-E139 WeakPolarHBondContact CA-OE1 3.18Å; V135-E139 HydrophobicContact CG1-CG 3.74Å; V135-A140 HydrophobicContact CG1-CB 4.25Å
136T93.1Very high91.8Very high67 Ų6770.9 Ų70.941%0.41136%0.355SS..  trans-68.4150.9178.659.80000111.8E138 E139 A140T136-E138 PolarHBondContact O-N 3.5Å; T136-E139 PolarHBondContact N-OE1 2.71Å; T136-E139 WeakPolarHBondContact O-CG 3.44Å; T136-E139 WeakPolarHBondContact OG1-CB 3.08Å; T136-E139 VanDerWaalsContact OG1-CG 3.26Å; T136-E139 WeakPolarHBondContact OG1-CG 3.28Å; T136-E139 PolarHBondContact OG1-N 3.42Å; T136-E139 PolarHBondContact OG1-OE1 2.86Å; T136-A140 PolarHBondContact O-N 3.4Å
137Y91.9Very high91.7Very high100 Ų10071.2 Ų71.239%0.39236%0.359SS..Hα-helixtrans-61.2-39.9175.9179.3-93.2000110.7A140 K141 F151 E153Y137-A140 PolarHBondContact O-N 2.97Å; Y137-K141 HydrophobicContact CD1-CB 4.5Å; Y137-K141 HydrophobicContact CD1-CD 4.42Å; Y137-K141 HydrophobicContact CE1-CB 4.29Å; Y137-K141 HydrophobicContact CE1-CD 3.65Å; Y137-K141 WeakPolarHBondContact O-CB 3.48Å; Y137-K141 PolarHBondContact O-N 3.13Å; Y137-F151 HydrophobicContact CD1-CE1 4.46Å; Y137-F151 AromaticContact CD2-CE1 3.51Å; Y137-F151 HydrophobicContact CD2-CE1 3.51Å; Y137-F151 AromaticContact CD2-CZ 3.98Å; Y137-F151 HydrophobicContact CD2-CZ 3.98Å; Y137-F151 HydrophobicContact CE1-CE1 4.29Å; Y137-F151 AromaticContact CE2-CD1 3.97Å; Y137-F151 HydrophobicContact CE2-CD1 3.97Å; Y137-F151 AromaticContact CE2-CE1 3.28Å; Y137-F151 HydrophobicContact CE2-CE1 3.28Å; Y137-F151 HydrophobicContact CE2-CZ 4.04Å; Y137-F151 HydrophobicContact CG-CE1 4.09Å; Y137-F151 AromaticContact CZ-CE1 3.7Å; Y137-E153 VanDerWaalsContact CD2-CD 3.49Å; Y137-E153 HydrophobicContact CD2-CG 3.94Å; Y137-E153 WeakPolarHBondContact CD2-OE1 3.34Å; Y137-E153 HydrophobicContact CE2-CG 4.24Å
138E93.1Very high91.6Very high153 Ų15373.3 Ų73.372%0.71538%0.382SS*.Hα-helixtrans-64.7-46.2-176.9-67.9171.9179.800112.3T136 A140 K141 Q142T136-E138 PolarHBondContact O-N 3.5Å; E138-A140 PolarHBondContact O-N 3.13Å; E138-K141 PolarHBondContact O-N 2.89Å; E138-Q142 WeakPolarHBondContact O-CB 3Å; E138-Q142 PolarHBondContact O-N 3.41Å
139E93.3Very high91.6Very high38 Ų3871.7 Ų71.718%0.17837%0.373CS..Hα-helixtrans-65.2-40.9179.478.8-170.4100.300111.6R97 Y100 V135 T136 Q142 F143R97-E139 IonicContact CZ-OE2 3.85Å; R97-E139 IonicContact NE-OE2 3.25Å; R97-E139 IonicContact NH2-OE1 2.86Å; R97-E139 PolarHBondContact NH2-OE1 3.44Å; R97-E139 IonicContact NH2-OE2 2.66Å; R97-E139 PolarHBondContact NH2-OE2 3.38Å; Y100-E139 PolarHBondContact OH-O 3.05Å; V135-E139 WeakPolarHBondContact CA-OE1 3.18Å; V135-E139 HydrophobicContact CG1-CG 3.74Å; T136-E139 PolarHBondContact N-OE1 2.71Å; T136-E139 WeakPolarHBondContact O-CG 3.44Å; T136-E139 WeakPolarHBondContact OG1-CB 3.08Å; T136-E139 VanDerWaalsContact OG1-CG 3.26Å; T136-E139 WeakPolarHBondContact OG1-CG 3.28Å; T136-E139 PolarHBondContact OG1-N 3.42Å; T136-E139 PolarHBondContact OG1-OE1 2.86Å; E139-Q142 PolarHBondContact O-N 2.89Å; E139-F143 WeakPolarHBondContact O-CB 3.49Å; E139-F143 PolarHBondContact O-N 2.81Å
140A91.9Very high91.6Very high0 Ų071.9 Ų71.90%038%0.375CS..Hα-helixtrans-70.8-36.3179.800000112Y92 Y100 V135 T136 Y137 E138 F143 A144 F151Y92-A140 HydrophobicContact CE1-CB 4.33Å; Y92-A140 WeakPolarHBondContact OH-CB 3.27Å; Y100-A140 HydrophobicContact CE2-CB 4Å; V135-A140 HydrophobicContact CG1-CB 4.25Å; T136-A140 PolarHBondContact O-N 3.4Å; Y137-A140 PolarHBondContact O-N 2.97Å; E138-A140 PolarHBondContact O-N 3.13Å; A140-F143 PolarHBondContact O-N 3.06Å; A140-A144 PolarHBondContact O-N 2.87Å; A140-F151 HydrophobicContact CB-CE1 4.25Å; A140-F151 HydrophobicContact CB-CE2 3.77Å; A140-F151 HydrophobicContact CB-CZ 3.57Å
141K92.9Very high91.9Very high83 Ų8368.4 Ų68.436%0.36136%0.358SS..Hα-helixtrans-64.4-46.1172.8-176.7174.8174.1-173.30111.3Y137 E138 F143 A144 E145 F151Y137-K141 HydrophobicContact CD1-CB 4.5Å; Y137-K141 HydrophobicContact CD1-CD 4.42Å; Y137-K141 HydrophobicContact CE1-CB 4.29Å; Y137-K141 HydrophobicContact CE1-CD 3.65Å; Y137-K141 WeakPolarHBondContact O-CB 3.48Å; Y137-K141 PolarHBondContact O-N 3.13Å; E138-K141 PolarHBondContact O-N 2.89Å; K141-F143 VanDerWaalsContact C-N 3.33Å; K141-F143 PolarHBondContact O-N 2.83Å; K141-A144 WeakPolarHBondContact O-CB 3.4Å; K141-A144 PolarHBondContact O-N 2.81Å; K141-A144 VanDerWaalsContact O-N 3.15Å; K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.47Å; K141-E145 IonicContact NZ-OE1 3.8Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 2.95Å; K141-F151 HydrophobicContact CB-CD1 3.61Å; K141-F151 HydrophobicContact CB-CE1 3.8Å; K141-F151 HydrophobicContact CG-CD1 4.07Å
142Q94.2Very high92.1Very high108 Ų10864.8 Ų64.851%0.50532%0.323SS..Hα-helixtrans-60-45.4177.3-176.3178.2-800110.9E138 E139 A144 E145 E146E138-Q142 WeakPolarHBondContact O-CB 3Å; E138-Q142 PolarHBondContact O-N 3.41Å; E139-Q142 PolarHBondContact O-N 2.89Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.2Å; Q142-E145 PolarHBondContact O-N 2.84Å; Q142-E146 HydrophobicContact CG-CG 4.33Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 3.14Å; Q142-E146 WeakPolarHBondContact O-CB 3.24Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.49Å; Q142-E146 PolarHBondContact O-N 2.9Å
143F92.3Very high92.2Very high25 Ų2559.6 Ų59.611%0.1130%0.299CS..Hα-helixtrans-58-41.6175177.9-90.9000112.3Y100 L103 S104 L107 L122 E139 A140 K141 N147 L149Y100-F143 HydrophobicContact CE2-CB 4.49Å; Y100-F143 WeakPolarHBondContact OH-CB 3.46Å; L103-F143 HydrophobicContact CB-CE1 4.15Å; L103-F143 HydrophobicContact CB-CZ 4.18Å; S104-F143 WeakPolarHBondContact OG-CE2 3.33Å; L107-F143 HydrophobicContact CD2-CE1 4.42Å; L107-F143 HydrophobicContact CD2-CZ 4.14Å; L122-F143 HydrophobicContact CD2-CD1 3.96Å; E139-F143 WeakPolarHBondContact O-CB 3.49Å; E139-F143 PolarHBondContact O-N 2.81Å; A140-F143 PolarHBondContact O-N 3.06Å; K141-F143 VanDerWaalsContact C-N 3.33Å; K141-F143 PolarHBondContact O-N 2.83Å; F143-N147 WeakPolarHBondContact O-CB 3.27Å; F143-N147 PolarHBondContact O-N 3.11Å; F143-N147 PolarHBondContact O-ND2 3.32Å; F143-L149 HydrophobicContact CE1-CD1 4.23Å
144A92.6Very high92.2Very high1 Ų156.7 Ų56.71%0.00829%0.288CS..Hα-helixtrans-66.3-44.5176.700000112.4L122 A140 K141 Q142 N147 G148 L149 F151L122-A144 HydrophobicContact CD2-CB 4.21Å; A140-A144 PolarHBondContact O-N 2.87Å; K141-A144 WeakPolarHBondContact O-CB 3.4Å; K141-A144 PolarHBondContact O-N 2.81Å; K141-A144 VanDerWaalsContact O-N 3.15Å; Q142-A144 VanDerWaalsContact C-N 3.29Å; Q142-A144 PolarHBondContact O-N 3.2Å; A144-N147 CarbonylContact O-C 3.44Å; A144-N147 PolarHBondContact O-N 3.36Å; A144-G148 PolarHBondContact O-N 2.73Å; A144-L149 HydrophobicContact CB-CB 4.1Å; A144-L149 PolarHBondContact O-N 3.21Å; A144-F151 HydrophobicContact CB-CB 3.56Å; A144-F151 HydrophobicContact CB-CG 4.27Å
145E91.7Very high92.2Very high128 Ų12852.8 Ų52.860%0.59827%0.267SS*.Hα-helixtrans-62.2-45.3178.3-73.1179.4172.600111.9K141 Q142 N147 G148K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.47Å; K141-E145 IonicContact NZ-OE1 3.8Å; K141-E145 WeakPolarHBondContact O-CG 3.49Å; K141-E145 PolarHBondContact O-N 2.95Å; Q142-E145 PolarHBondContact O-N 2.84Å; E145-N147 PolarHBondContact O-N 2.79Å; E145-G148 PolarHBondContact O-N 3.13Å
146E92.1Very high92Very high132 Ų13253 Ų5362%0.61727%0.268SS*.Hα-helixtrans-60.6-32177.5-73.8175.6-177.600112.7Q142Q142-E146 HydrophobicContact CG-CG 4.33Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 3.14Å; Q142-E146 WeakPolarHBondContact O-CB 3.24Å; Q142-E146 VanDerWaalsContact O-CG 3.31Å; Q142-E146 WeakPolarHBondContact O-CG 3.49Å; Q142-E146 PolarHBondContact O-N 2.9Å
147N88.2Confident91.6Very high60 Ų6055.4 Ų55.432%0.32127%0.273SS..THydrogen-bonded Turntrans-99.52.8-178.5-71.2-80.7000113.9L107 R111 F143 A144 E145 L149L107-N147 HydrophobicContact CD2-CB 3.72Å; L107-N147 VanDerWaalsContact CD2-CG 3.49Å; L107-N147 VanDerWaalsContact CD2-OD1 3.28Å; L107-N147 WeakPolarHBondContact CD2-OD1 3.42Å; R111-N147 PolarHBondContact NH2-O 3.48Å; F143-N147 WeakPolarHBondContact O-CB 3.27Å; F143-N147 PolarHBondContact O-N 3.11Å; F143-N147 PolarHBondContact O-ND2 3.32Å; A144-N147 CarbonylContact O-C 3.44Å; A144-N147 PolarHBondContact O-N 3.36Å; E145-N147 PolarHBondContact O-N 2.79Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 HydrophobicContact CB-CD1 3.94Å; N147-L149 HydrophobicContact CB-CD2 4.28Å; N147-L149 HydrophobicContact CB-CG 3.76Å; N147-L149 PolarHBondContact O-N 2.87Å
148G87.7Confident91.4Very high62 Ų6254.5 Ų54.564%0.63928%0.278SS*.THydrogen-bonded Turntrans6337.1-178.400000113.6A144 E145A144-G148 PolarHBondContact O-N 2.73Å; E145-G148 PolarHBondContact O-N 3.13Å
149L91Very high91Very high14 Ų1448.4 Ų48.47%0.07326%0.256CS..  trans-100.6151.2178.4-42.6176.7000109.9L107 I120 F143 A144 N147L107-L149 HydrophobicContact CD1-CD1 3.98Å; L107-L149 HydrophobicContact CD1-CD2 3.66Å; L107-L149 HydrophobicContact CD1-CG 4.45Å; L107-L149 HydrophobicContact CD2-CD1 4.16Å; I120-L149 HydrophobicContact CB-CD2 3.75Å; I120-L149 HydrophobicContact CD1-CD2 4.4Å; I120-L149 HydrophobicContact CG2-CD2 3.88Å; F143-L149 HydrophobicContact CE1-CD1 4.23Å; A144-L149 HydrophobicContact CB-CB 4.1Å; A144-L149 PolarHBondContact O-N 3.21Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 HydrophobicContact CB-CD1 3.94Å; N147-L149 HydrophobicContact CB-CD2 4.28Å; N147-L149 HydrophobicContact CB-CG 3.76Å; N147-L149 PolarHBondContact O-N 2.87Å
150L90.9Very high90.9Very high54 Ų5451.9 Ų51.928%0.28327%0.273SS..EExtended strand (participates in β ladder)trans-73.4148.8164.1-62.9175000108.8V119 I120 I121 L122 K172V119-L150 HydrophobicContact CG1-CD1 4.03Å; I120-L150 PolarHBondContact O-N 3.31Å; I120-L150 VanDerWaalsContact O-N 3.08Å; I121-L150 CarbonylContact C-O 3.59Å; I121-L150 WeakPolarHBondContact CA-O 3.41Å; I121-L150 HydrophobicContact CB-CB 3.95Å; I121-L150 HydrophobicContact CD1-CB 4.12Å; I121-L150 HydrophobicContact CG1-CB 3.75Å; L122-L150 PolarHBondContact N-O 2.87Å; L150-K172 HydrophobicContact CD1-CB 3.95Å; L150-K172 HydrophobicContact CD1-CG 4.16Å
151F94.1Very high90.7Very high30 Ų3054.7 Ų54.713%0.13229%0.288CS..EExtended strand (participates in β ladder)trans-132.7136.4177.7176.3-121.8000111.7Y92 L122 Y137 A140 K141 A144 E153Y92-F151 HydrophobicContact CE1-CE2 4.02Å; L122-F151 HydrophobicContact CB-CD2 4.1Å; L122-F151 HydrophobicContact CD2-CD2 3.9Å; L122-F151 HydrophobicContact CD2-CE2 4.33Å; L122-F151 HydrophobicContact CG-CD2 3.91Å; L122-F151 HydrophobicContact CG-CE2 4.39Å; L122-F151 WeakPolarHBondContact O-CA 3.48Å; Y137-F151 HydrophobicContact CD1-CE1 4.46Å; Y137-F151 AromaticContact CD2-CE1 3.51Å; Y137-F151 HydrophobicContact CD2-CE1 3.51Å; Y137-F151 AromaticContact CD2-CZ 3.98Å; Y137-F151 HydrophobicContact CD2-CZ 3.98Å; Y137-F151 HydrophobicContact CE1-CE1 4.29Å; Y137-F151 AromaticContact CE2-CD1 3.97Å; Y137-F151 HydrophobicContact CE2-CD1 3.97Å; Y137-F151 AromaticContact CE2-CE1 3.28Å; Y137-F151 HydrophobicContact CE2-CE1 3.28Å; Y137-F151 HydrophobicContact CE2-CZ 4.04Å; Y137-F151 HydrophobicContact CG-CE1 4.09Å; Y137-F151 AromaticContact CZ-CE1 3.7Å; A140-F151 HydrophobicContact CB-CE1 4.25Å; A140-F151 HydrophobicContact CB-CE2 3.77Å; A140-F151 HydrophobicContact CB-CZ 3.57Å; K141-F151 HydrophobicContact CB-CD1 3.61Å; K141-F151 HydrophobicContact CB-CE1 3.8Å; K141-F151 HydrophobicContact CG-CD1 4.07Å; A144-F151 HydrophobicContact CB-CB 3.56Å; A144-F151 HydrophobicContact CB-CG 4.27Å; F151-E153 HydrophobicContact CE2-CG 4.33Å; F151-E153 HydrophobicContact CZ-CG 3.79Å
152L93.8Very high90.5Very high32 Ų3250.9 Ų50.917%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-151.8146.1176.8-155.2116.3000110I121 L122 I123 G124 N161 A165I121-L152 HydrophobicContact CD1-CB 4.49Å; L122-L152 PolarHBondContact O-N 3.13Å; I123-L152 VanDerWaalsContact CA-O 3.22Å; I123-L152 WeakPolarHBondContact CA-O 3.3Å; G124-L152 PolarHBondContact N-O 3.36Å; L152-N161 HydrophobicContact CD2-CB 3.53Å; L152-N161 WeakPolarHBondContact CD2-O 3.29Å; L152-A165 HydrophobicContact CD2-CB 3.95Å
153E94.1Very high90.2Very high22 Ų2249.1 Ų49.110%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-101.2135.9168.3-72.5-173.917000109.4G124 A127 R133 Y137 F151 N161G124-E153 CarbonylContact O-C 3.54Å; G124-E153 VanDerWaalsContact O-CA 3.32Å; G124-E153 WeakPolarHBondContact O-CA 3.36Å; A127-E153 HydrophobicContact CB-CB 4.27Å; R133-E153 IonicContact CZ-OE1 3.81Å; R133-E153 IonicContact CZ-OE2 3.69Å; R133-E153 IonicContact NH1-OE1 3.63Å; R133-E153 PolarHBondContact NH1-OE1 3.21Å; R133-E153 IonicContact NH1-OE2 3.42Å; R133-E153 IonicContact NH2-OE1 3.26Å; R133-E153 PolarHBondContact NH2-OE1 3.05Å; R133-E153 IonicContact NH2-OE2 3.95Å; R133-E153 PolarHBondContact NH2-OE2 2.83Å; Y137-E153 VanDerWaalsContact CD2-CD 3.49Å; Y137-E153 HydrophobicContact CD2-CG 3.94Å; Y137-E153 WeakPolarHBondContact CD2-OE1 3.34Å; Y137-E153 HydrophobicContact CE2-CG 4.24Å; F151-E153 HydrophobicContact CE2-CG 4.33Å; F151-E153 HydrophobicContact CZ-CG 3.79Å; E153-N161 WeakPolarHBondContact O-CB 3.16Å; E153-N161 PolarHBondContact O-ND2 3.3Å
154A92.7Very high90.1Very high0 Ų051.5 Ų51.50%028%0.277CS..EExtended strand (participates in β ladder)trans-135.1159.5-177.100000111.2L28 I123 G124 N125 K126 A127 E160 N161 V162L28-A154 HydrophobicContact CD2-CB 4.37Å; I123-A154 HydrophobicContact CG2-CB 3.85Å; G124-A154 PolarHBondContact O-N 2.83Å; N125-A154 CarbonylContact C-O 3.55Å; N125-A154 VanDerWaalsContact CA-O 3.24Å; N125-A154 WeakPolarHBondContact CA-O 3.31Å; N125-A154 PolarHBondContact OD1-O 3.01Å; K126-A154 PolarHBondContact N-O 2.97Å; A127-A154 PolarHBondContact N-O 2.85Å; A127-A154 VanDerWaalsContact N-O 3.16Å; A154-E160 WeakPolarHBondContact CA-O 3.15Å; A154-N161 HydrophobicContact CB-CB 4.06Å; A154-V162 HydrophobicContact CB-CG2 4.28Å
155S91.8Very high89.9Confident0 Ų051.5 Ų51.50%028%0.277CS..  trans-125.4111.61681730000109.6D128 K157 T158 G159 E160 V162D128-S155 WeakPolarHBondContact OD1-CB 3.19Å; D128-S155 PolarHBondContact OD1-OG 3.49Å; S155-K157 PolarHBondContact O-N 2.84Å; S155-K157 VanDerWaalsContact O-N 3.17Å; S155-K157 PolarHBondContact OG-N 2.85Å; S155-T158 VanDerWaalsContact CB-OG1 3.24Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact O-N 3.3Å; S155-T158 PolarHBondContact OG-N 2.86Å; S155-T158 VanDerWaalsContact OG-N 3.14Å; S155-T158 PolarHBondContact OG-OG1 3.02Å; S155-G159 VanDerWaalsContact O-CA 3.27Å; S155-G159 WeakPolarHBondContact O-CA 3.11Å; S155-G159 PolarHBondContact O-N 3.5Å; S155-E160 PolarHBondContact N-O 3Å; S155-V162 WeakPolarHBondContact O-CG2 3.24Å
156A87.8Confident89.6Confident3 Ų345.5 Ų45.53%0.02525%0.249CC..THydrogen-bonded Turntrans-58.1-25169.500000112.6C27 L28 Q31 F37 N125C27-A156 HydrophobicContact CB-CB 3.68Å; L28-A156 HydrophobicContact CD2-CB 3.87Å; L28-A156 HydrophobicContact CG-CB 4.04Å; Q31-A156 WeakPolarHBondContact CG-O 3.36Å; F37-A156 VanDerWaalsContact CD2-O 3.29Å; F37-A156 WeakPolarHBondContact CD2-O 3.14Å; N125-A156 PolarHBondContact OD1-N 3.18Å
157K86.2Confident89.5Confident118 Ų11840.8 Ų40.851%0.51323%0.228SC..THydrogen-bonded Turntrans-78.2-47.9-177.5-173-172.8-177.9-1770112.4F37 D128 S155F37-K157 HydrophobicContact CD1-CG 4.12Å; F37-K157 HydrophobicContact CD2-CB 4.21Å; F37-K157 HydrophobicContact CE1-CB 4.5Å; F37-K157 HydrophobicContact CE1-CG 4Å; F37-K157 HydrophobicContact CE2-CB 4.06Å; F37-K157 HydrophobicContact CE2-CG 4.44Å; F37-K157 HydrophobicContact CG-CB 4.48Å; F37-K157 HydrophobicContact CG-CG 4.4Å; F37-K157 HydrophobicContact CZ-CB 4.21Å; F37-K157 HydrophobicContact CZ-CG 4.16Å; D128-K157 WeakPolarHBondContact OD2-CD 3.19Å; D128-K157 IonicContact OD2-NZ 2.69Å; S155-K157 PolarHBondContact O-N 2.84Å; S155-K157 VanDerWaalsContact O-N 3.17Å; S155-K157 PolarHBondContact OG-N 2.85Å
158T86.1Confident89.5Confident81 Ų8141.4 Ų41.450%0.49723%0.229SC..THydrogen-bonded Turntrans-86.1-21.317964.70000111.9D128 S155 E160D128-T158 HydrophobicContact CB-CG2 3.97Å; S155-T158 VanDerWaalsContact CB-OG1 3.24Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact O-N 3.3Å; S155-T158 PolarHBondContact OG-N 2.86Å; S155-T158 VanDerWaalsContact OG-N 3.14Å; S155-T158 PolarHBondContact OG-OG1 3.02Å; T158-E160 WeakPolarHBondContact OG1-CB 3.34Å; T158-E160 PolarHBondContact OG1-N 3.31Å
159G85.4Confident89.4Confident25 Ų2538.6 Ų38.626%0.25820%0.2SC..  trans81.2-1-169.700000114S155 N161 V162S155-G159 VanDerWaalsContact O-CA 3.27Å; S155-G159 WeakPolarHBondContact O-CA 3.11Å; S155-G159 PolarHBondContact O-N 3.5Å; G159-N161 PolarHBondContact O-N 2.75Å; G159-V162 PolarHBondContact O-N 2.7Å
160E90.5Very high89.2Confident111 Ų11137.9 Ų37.952%0.51920%0.196SC..THydrogen-bonded Turntrans-58.1130.4176.7-175.9171.7-150.700109.8A154 S155 T158 V162A154-E160 WeakPolarHBondContact CA-O 3.15Å; S155-E160 PolarHBondContact N-O 3Å; T158-E160 WeakPolarHBondContact OG1-CB 3.34Å; T158-E160 PolarHBondContact OG1-N 3.31Å; E160-V162 PolarHBondContact O-N 3.29Å
161N89.3Confident89Confident59 Ų5938.9 Ų38.932%0.31620%0.198SC..THydrogen-bonded Turntrans61.82.9172-77.4-2.1000115.7L152 E153 A154 G159 A165L152-N161 HydrophobicContact CD2-CB 3.53Å; L152-N161 WeakPolarHBondContact CD2-O 3.29Å; E153-N161 WeakPolarHBondContact O-CB 3.16Å; E153-N161 PolarHBondContact O-ND2 3.3Å; A154-N161 HydrophobicContact CB-CB 4.06Å; G159-N161 PolarHBondContact O-N 2.75Å; N161-A165 WeakPolarHBondContact O-CB 3.46Å; N161-A165 PolarHBondContact O-N 3.42Å
162V87.9Confident88.7Confident4 Ų441.3 Ų41.32%0.02421%0.209CC..Hα-helixtrans-67.7-51.6176.4179.90000109.8L28 Q31 F32 A154 S155 G159 E160 D164 A165 F166L28-V162 HydrophobicContact CD2-CB 4.36Å; L28-V162 HydrophobicContact CD2-CG1 4Å; L28-V162 HydrophobicContact CD2-CG2 3.64Å; Q31-V162 HydrophobicContact CB-CG1 4.32Å; Q31-V162 HydrophobicContact CG-CB 4.42Å; Q31-V162 HydrophobicContact CG-CG1 4.3Å; Q31-V162 HydrophobicContact CG-CG2 4.12Å; F32-V162 HydrophobicContact CB-CG1 4.11Å; A154-V162 HydrophobicContact CB-CG2 4.28Å; S155-V162 WeakPolarHBondContact O-CG2 3.24Å; G159-V162 PolarHBondContact O-N 2.7Å; E160-V162 PolarHBondContact O-N 3.29Å; V162-D164 VanDerWaalsContact C-N 3.33Å; V162-D164 PolarHBondContact O-N 2.85Å; V162-A165 PolarHBondContact O-N 3.31Å; V162-F166 HydrophobicContact CG1-CD2 4.36Å; V162-F166 HydrophobicContact CG1-CE2 4.04Å; V162-F166 WeakPolarHBondContact O-CD2 3.37Å; V162-F166 PolarHBondContact O-N 2.86Å
163E87.9Confident88.2Confident70 Ų7039.8 Ų39.833%0.32720%0.201SC..Hα-helixtrans-62.5-43.4179.5-176.4151.6-172.400110.7F32 K35 R52 A165 F166 L167F32-E163 HydrophobicContact CE2-CG 4.42Å; K35-E163 IonicContact NZ-OE2 3.44Å; R52-E163 IonicContact CZ-OE1 2.75Å; R52-E163 IonicContact CZ-OE2 3.4Å; R52-E163 IonicContact NH1-OE2 3.2Å; R52-E163 IonicContact NH2-OE1 2.71Å; R52-E163 PolarHBondContact NH2-OE1 2.81Å; R52-E163 IonicContact NH2-OE2 3.38Å; R52-E163 PolarHBondContact NH2-OE2 2.55Å; R52-E163 VanDerWaalsContact NH2-OE2 3.09Å; E163-A165 VanDerWaalsContact C-N 3.35Å; E163-A165 PolarHBondContact O-N 2.92Å; E163-F166 PolarHBondContact O-N 3.21Å; E163-L167 HydrophobicContact CB-CD1 4.49Å; E163-L167 HydrophobicContact CG-CD1 3.42Å; E163-L167 VanDerWaalsContact CG-CD1 3.42Å; E163-L167 WeakPolarHBondContact O-CD1 3.26Å; E163-L167 PolarHBondContact O-N 3.15Å
164D89.3Confident87.7Confident76 Ų7639.6 Ų39.641%0.40620%0.199SC..Hα-helixtrans-59.4-40.9177.2-58.1-70.3000112.7V162 F166 L167 E168V162-D164 VanDerWaalsContact C-N 3.33Å; V162-D164 PolarHBondContact O-N 2.85Å; D164-F166 VanDerWaalsContact C-N 3.35Å; D164-F166 PolarHBondContact O-N 2.71Å; D164-L167 PolarHBondContact O-N 2.96Å; D164-E168 WeakPolarHBondContact O-CB 3.26Å; D164-E168 WeakPolarHBondContact O-CG 3.33Å; D164-E168 PolarHBondContact O-N 3.48Å
165A88.8Confident87.2Confident1 Ų144 Ų441%0.00822%0.22CC..Hα-helixtrans-57.6-45.6176.700000112.6I121 I123 L152 N161 V162 E163 A169I121-A165 HydrophobicContact CD1-CB 4.28Å; I121-A165 WeakPolarHBondContact CD1-O 3.44Å; I123-A165 HydrophobicContact CD1-CB 3.88Å; I123-A165 HydrophobicContact CG1-CB 4.28Å; L152-A165 HydrophobicContact CD2-CB 3.95Å; N161-A165 WeakPolarHBondContact O-CB 3.46Å; N161-A165 PolarHBondContact O-N 3.42Å; V162-A165 PolarHBondContact O-N 3.31Å; E163-A165 VanDerWaalsContact C-N 3.35Å; E163-A165 PolarHBondContact O-N 2.92Å; A165-A169 WeakPolarHBondContact O-CB 3.34Å; A165-A169 PolarHBondContact O-N 3.47Å
166F87Confident86.6Confident2 Ų245.3 Ų45.31%0.00923%0.227CC..Hα-helixtrans-71.6-36.6178-71-81.5000112.1I15 I17 F32 L63 I65 L89 V162 E163 D164 A170I15-F166 HydrophobicContact CG2-CD1 4.47Å; I15-F166 HydrophobicContact CG2-CE1 4.31Å; I17-F166 HydrophobicContact CD1-CZ 4.24Å; F32-F166 HydrophobicContact CB-CD2 3.86Å; F32-F166 HydrophobicContact CB-CE2 3.56Å; F32-F166 HydrophobicContact CB-CZ 4.21Å; F32-F166 HydrophobicContact CD1-CD1 4.27Å; F32-F166 AromaticContact CD1-CD2 3.97Å; F32-F166 HydrophobicContact CD1-CD2 3.97Å; F32-F166 HydrophobicContact CD1-CE1 4.43Å; F32-F166 HydrophobicContact CD1-CE2 4.17Å; F32-F166 HydrophobicContact CD1-CG 4.06Å; F32-F166 HydrophobicContact CD1-CZ 4.39Å; F32-F166 HydrophobicContact CD2-CB 4.04Å; F32-F166 AromaticContact CD2-CD2 3.33Å; F32-F166 HydrophobicContact CD2-CD2 3.33Å; F32-F166 AromaticContact CD2-CE2 3.99Å; F32-F166 HydrophobicContact CD2-CE2 3.99Å; F32-F166 AromaticContact CD2-CG 3.84Å; F32-F166 HydrophobicContact CD2-CG 3.84Å; F32-F166 HydrophobicContact CE1-CB 4.19Å; F32-F166 HydrophobicContact CE1-CD1 4.22Å; F32-F166 HydrophobicContact CE1-CD2 4.33Å; F32-F166 AromaticContact CE1-CG 4Å; F32-F166 HydrophobicContact CE1-CG 4Å; F32-F166 HydrophobicContact CE2-CB 3.52Å; F32-F166 AromaticContact CE2-CD2 3.78Å; F32-F166 HydrophobicContact CE2-CD2 3.78Å; F32-F166 AromaticContact CE2-CG 3.81Å; F32-F166 HydrophobicContact CE2-CG 3.81Å; F32-F166 AromaticContact CG-CD2 3.44Å; F32-F166 HydrophobicContact CG-CD2 3.44Å; F32-F166 VanDerWaalsContact CG-CD2 3.44Å; F32-F166 AromaticContact CG-CE2 3.65Å; F32-F166 HydrophobicContact CG-CE2 3.65Å; F32-F166 AromaticContact CG-CG 3.96Å; F32-F166 HydrophobicContact CG-CG 3.96Å; F32-F166 HydrophobicContact CG-CZ 4.28Å; F32-F166 HydrophobicContact CZ-CB 3.6Å; F32-F166 HydrophobicContact CZ-CD1 4.47Å; F32-F166 HydrophobicContact CZ-CD2 4.25Å; F32-F166 AromaticContact CZ-CG 3.88Å; F32-F166 HydrophobicContact CZ-CG 3.88Å; L63-F166 HydrophobicContact CD1-CB 4.31Å; I65-F166 HydrophobicContact CD1-CD1 3.79Å; I65-F166 HydrophobicContact CD1-CE1 3.54Å; I65-F166 HydrophobicContact CD1-CZ 4.26Å; I65-F166 HydrophobicContact CG1-CD1 4.41Å; I65-F166 HydrophobicContact CG1-CE1 4.11Å; I65-F166 HydrophobicContact CG2-CE1 4.13Å; L89-F166 HydrophobicContact CD1-CD1 4.12Å; L89-F166 HydrophobicContact CD1-CE1 3.71Å; L89-F166 HydrophobicContact CD1-CZ 4.5Å; L89-F166 HydrophobicContact CD2-CD1 3.84Å; L89-F166 HydrophobicContact CD2-CE1 3.64Å; L89-F166 HydrophobicContact CD2-CE2 4.33Å; L89-F166 HydrophobicContact CD2-CG 4.28Å; L89-F166 HydrophobicContact CD2-CZ 3.89Å; L89-F166 HydrophobicContact CG-CE1 4.4Å; V162-F166 HydrophobicContact CG1-CD2 4.36Å; V162-F166 HydrophobicContact CG1-CE2 4.04Å; V162-F166 WeakPolarHBondContact O-CD2 3.37Å; V162-F166 PolarHBondContact O-N 2.86Å; E163-F166 PolarHBondContact O-N 3.21Å; D164-F166 VanDerWaalsContact C-N 3.35Å; D164-F166 PolarHBondContact O-N 2.71Å; F166-A170 WeakPolarHBondContact O-CB 3.27Å; F166-A170 PolarHBondContact O-N 3.46Å
167L88.3Confident86Confident32 Ų3245.9 Ų45.917%0.16823%0.229CC..Hα-helixtrans-67.4-44.5176.9-9285.9000112.1I54 E163 D164 A170 K171I54-L167 HydrophobicContact CD1-CG 4.34Å; I54-L167 HydrophobicContact CG2-CD1 4.45Å; E163-L167 HydrophobicContact CB-CD1 4.49Å; E163-L167 HydrophobicContact CG-CD1 3.42Å; E163-L167 VanDerWaalsContact CG-CD1 3.42Å; E163-L167 WeakPolarHBondContact O-CD1 3.26Å; E163-L167 PolarHBondContact O-N 3.15Å; D164-L167 PolarHBondContact O-N 2.96Å; L167-A170 PolarHBondContact O-N 3.11Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 VanDerWaalsContact O-CG 3.28Å; L167-K171 WeakPolarHBondContact O-CG 3.5Å; L167-K171 PolarHBondContact O-N 3.12Å
168E88.6Confident85.4Confident73 Ų7346 Ų4634%0.34123%0.232SC..Hα-helixtrans-63.4-42.9178.5-72.6-55.3125.200111.3D164 A170 K171 K172D164-E168 WeakPolarHBondContact O-CB 3.26Å; D164-E168 WeakPolarHBondContact O-CG 3.33Å; D164-E168 PolarHBondContact O-N 3.48Å; E168-A170 PolarHBondContact O-N 3.09Å; E168-K171 PolarHBondContact O-N 3.37Å; E168-K171 WeakPolarHBondContact OE1-CD 3.34Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.5Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 PolarHBondContact O-N 3.01Å
169A86.6Confident84.9Confident3 Ų348.2 Ų48.23%0.02524%0.24CC..Hα-helixtrans-58.3-47.5172.300000111.4I121 A165 K172 I173I121-A169 HydrophobicContact CG2-CB 4.16Å; A165-A169 WeakPolarHBondContact O-CB 3.34Å; A165-A169 PolarHBondContact O-N 3.47Å; A169-K172 PolarHBondContact O-N 3.18Å; A169-I173 WeakPolarHBondContact O-CD1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.4Å; A169-I173 PolarHBondContact O-N 3.11Å
170A85.8Confident83.9Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-66.5-40.5179.600000113.1F12 I54 V56 L63 F166 L167 E168 K172 I173 Y174F12-A170 HydrophobicContact CD2-CB 4.26Å; F12-A170 HydrophobicContact CE2-CB 4.22Å; F12-A170 WeakPolarHBondContact CE2-O 3.15Å; I54-A170 HydrophobicContact CD1-CB 3.46Å; I54-A170 VanDerWaalsContact CD1-CB 3.46Å; V56-A170 HydrophobicContact CG2-CB 4.06Å; L63-A170 HydrophobicContact CD2-CB 4.13Å; F166-A170 WeakPolarHBondContact O-CB 3.27Å; F166-A170 PolarHBondContact O-N 3.46Å; L167-A170 PolarHBondContact O-N 3.11Å; E168-A170 PolarHBondContact O-N 3.09Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.32Å; A170-I173 PolarHBondContact O-N 2.79Å; A170-Y174 VanDerWaalsContact O-CB 3.28Å; A170-Y174 WeakPolarHBondContact O-CB 3.18Å; A170-Y174 PolarHBondContact O-N 3.04Å
171K87.8Confident82.5Confident74 Ų7446.9 Ų46.932%0.32225%0.248SC..Hα-helixtrans-57.7-46.8173.6-77.2170.1-169.2172.50110.7V56 L167 E168 Y174 Q175V56-K171 HydrophobicContact CG1-CB 4.28Å; V56-K171 HydrophobicContact CG1-CG 3.64Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 VanDerWaalsContact O-CG 3.28Å; L167-K171 WeakPolarHBondContact O-CG 3.5Å; L167-K171 PolarHBondContact O-N 3.12Å; E168-K171 PolarHBondContact O-N 3.37Å; E168-K171 WeakPolarHBondContact OE1-CD 3.34Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.5Å; K171-Y174 PolarHBondContact O-N 3.29Å; K171-Q175 WeakPolarHBondContact O-CG 3.24Å; K171-Q175 PolarHBondContact O-N 2.95Å
172K87Confident81.1Confident82 Ų8244.7 Ų44.736%0.35724%0.236SC..Hα-helixtrans-67-41.6-179.3-170.867.2179176.20112.2V119 L150 E168 A169 A170 Y174 Q175 N176V119-K172 HydrophobicContact CB-CG 4.5Å; V119-K172 HydrophobicContact CG1-CB 3.94Å; V119-K172 HydrophobicContact CG1-CG 3.79Å; V119-K172 HydrophobicContact CG2-CB 4.27Å; V119-K172 HydrophobicContact CG2-CG 3.83Å; L150-K172 HydrophobicContact CD1-CB 3.95Å; L150-K172 HydrophobicContact CD1-CG 4.16Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 PolarHBondContact O-N 3.01Å; A169-K172 PolarHBondContact O-N 3.18Å; A170-K172 VanDerWaalsContact C-N 3.32Å; A170-K172 PolarHBondContact O-N 3.32Å; K172-Y174 VanDerWaalsContact C-N 3.29Å; K172-Y174 PolarHBondContact O-N 2.75Å; K172-Q175 PolarHBondContact O-N 3.15Å; K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 3.37Å; K172-N176 PolarHBondContact O-OD1 3.11Å
173I83.4Confident79.7Confident0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-60.2-43.6172.9-66.1164.2000110.1F12 A86 V119 A169 A170 N176 I177 L182 V191F12-I173 HydrophobicContact CD1-CG2 4.41Å; F12-I173 HydrophobicContact CD2-CB 4.3Å; F12-I173 HydrophobicContact CD2-CD1 4.47Å; F12-I173 HydrophobicContact CD2-CG2 3.97Å; F12-I173 HydrophobicContact CE1-CG2 4.21Å; F12-I173 HydrophobicContact CE2-CB 3.96Å; F12-I173 HydrophobicContact CE2-CG2 3.74Å; F12-I173 HydrophobicContact CG-CG2 4.32Å; F12-I173 HydrophobicContact CZ-CB 4.43Å; F12-I173 HydrophobicContact CZ-CG2 3.85Å; A86-I173 HydrophobicContact CB-CD1 4.31Å; A86-I173 HydrophobicContact CB-CG2 4.17Å; V119-I173 HydrophobicContact CB-CG1 3.76Å; V119-I173 HydrophobicContact CG2-CB 4.49Å; V119-I173 HydrophobicContact CG2-CG1 3.65Å; A169-I173 WeakPolarHBondContact O-CD1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.4Å; A169-I173 PolarHBondContact O-N 3.11Å; A170-I173 PolarHBondContact O-N 2.79Å; I173-N176 PolarHBondContact O-N 3.06Å; I173-I177 HydrophobicContact CG2-CD1 4.16Å; I173-I177 VanDerWaalsContact O-CG1 3.32Å; I173-I177 WeakPolarHBondContact O-CG1 3.32Å; I173-I177 PolarHBondContact O-N 3.16Å; I173-L182 HydrophobicContact CG2-CD1 4.33Å; I173-V191 HydrophobicContact CG2-CG2 4.31Å
174Y82.7Confident78.3Confident18 Ų1849.8 Ų49.87%0.07127%0.266CS..Hα-helixtrans-64.6-40.9178.6-173.5-109.4000112.9Y10 F12 V56 Q59 I61 A170 K171 K172 I177 Q178Y10-Y174 HydrophobicContact CD2-CE2 4.17Å; Y10-Y174 AromaticContact CE2-CE2 3.79Å; Y10-Y174 HydrophobicContact CE2-CE2 3.79Å; F12-Y174 HydrophobicContact CZ-CD2 4.24Å; V56-Y174 HydrophobicContact CG1-CD1 4.33Å; V56-Y174 HydrophobicContact CG1-CG 4.48Å; Q59-Y174 HydrophobicContact CG-CE2 4.44Å; I61-Y174 HydrophobicContact CD1-CD2 4.07Å; I61-Y174 HydrophobicContact CD1-CG 4.37Å; A170-Y174 VanDerWaalsContact O-CB 3.28Å; A170-Y174 WeakPolarHBondContact O-CB 3.18Å; A170-Y174 PolarHBondContact O-N 3.04Å; K171-Y174 PolarHBondContact O-N 3.29Å; K172-Y174 VanDerWaalsContact C-N 3.29Å; K172-Y174 PolarHBondContact O-N 2.75Å; Y174-I177 WeakPolarHBondContact O-CB 3.23Å; Y174-I177 PolarHBondContact O-N 3.04Å; Y174-Q178 HydrophobicContact CD1-CG 4.41Å; Y174-Q178 HydrophobicContact CE1-CG 4.04Å; Y174-Q178 VanDerWaalsContact CZ-NE2 3.3Å; Y174-Q178 WeakPolarHBondContact O-CG 3.43Å; Y174-Q178 PolarHBondContact O-N 3.07Å; Y174-Q178 PolarHBondContact OH-NE2 3.06Å; Y174-Q178 VanDerWaalsContact OH-NE2 3.07Å
175Q83.6Confident76.4Confident92 Ų9254.1 Ų54.143%0.4329%0.289SS..Hα-helixtrans-60.6-47.5172.1-75.2175.8-16.600111.4K171 K172 I177 Q178 D179K171-Q175 WeakPolarHBondContact O-CG 3.24Å; K171-Q175 PolarHBondContact O-N 2.95Å; K172-Q175 PolarHBondContact O-N 3.15Å; Q175-I177 PolarHBondContact O-N 2.74Å; Q175-Q178 PolarHBondContact O-N 3.37Å; Q175-D179 WeakPolarHBondContact O-CB 2.99Å; Q175-D179 VanDerWaalsContact O-CG 3.31Å; Q175-D179 PolarHBondContact O-N 3.43Å
176N79.5Confident74.9Confident27 Ų2756 Ų5614%0.14431%0.305CS..Hα-helixtrans-58.7-33.4177.6-738.5000112.3V119 K172 I173 S181 L182V119-N176 WeakPolarHBondContact CG2-ND2 3.45Å; K172-N176 VanDerWaalsContact O-CG 3.3Å; K172-N176 PolarHBondContact O-N 3.37Å; K172-N176 PolarHBondContact O-OD1 3.11Å; I173-N176 PolarHBondContact O-N 3.06Å; N176-S181 WeakPolarHBondContact CA-OG 3.2Å; N176-S181 WeakPolarHBondContact CB-OG 3.26Å; N176-S181 PolarHBondContact O-N 2.86Å; N176-S181 PolarHBondContact O-OG 3.31Å; N176-L182 HydrophobicContact CB-CD1 3.49Å; N176-L182 VanDerWaalsContact CB-CD1 3.49Å; N176-L182 HydrophobicContact CB-CG 4.09Å; N176-L182 PolarHBondContact O-N 3.05Å
177I75.1Confident73.1Confident15 Ų1560.9 Ų60.98%0.07735%0.345CS..Hα-helixtrans-67.8-47.7171.6-66.9161000111.1F12 I173 Y174 Q175 D179 G180 L182 L184 V191F12-I177 HydrophobicContact CE1-CD1 3.5Å; F12-I177 VanDerWaalsContact CE1-CD1 3.5Å; F12-I177 HydrophobicContact CZ-CD1 3.71Å; I173-I177 HydrophobicContact CG2-CD1 4.16Å; I173-I177 VanDerWaalsContact O-CG1 3.32Å; I173-I177 WeakPolarHBondContact O-CG1 3.32Å; I173-I177 PolarHBondContact O-N 3.16Å; Y174-I177 WeakPolarHBondContact O-CB 3.23Å; Y174-I177 PolarHBondContact O-N 3.04Å; Q175-I177 PolarHBondContact O-N 2.74Å; I177-D179 VanDerWaalsContact C-N 3.29Å; I177-D179 PolarHBondContact O-N 2.98Å; I177-G180 PolarHBondContact O-N 2.66Å; I177-G180 VanDerWaalsContact O-N 3.1Å; I177-L182 HydrophobicContact CG1-CB 4Å; I177-L182 HydrophobicContact CG1-CD1 4Å; I177-L184 HydrophobicContact CB-CD2 4.47Å; I177-L184 HydrophobicContact CD1-CD2 4.12Å; I177-L184 HydrophobicContact CG1-CD2 4.01Å; I177-L184 HydrophobicContact CG2-CD1 3.77Å; I177-L184 HydrophobicContact CG2-CD2 3.63Å; I177-L184 HydrophobicContact CG2-CG 3.88Å; I177-V191 HydrophobicContact CD1-CB 4.36Å; I177-V191 HydrophobicContact CD1-CG1 3.74Å; I177-V191 HydrophobicContact CD1-CG2 3.89Å; I177-V191 HydrophobicContact CG1-CG2 4.45Å
178Q73.9Confident71.5Confident121 Ų12163.6 Ų63.657%0.56536%0.357SS*.Hα-helixtrans-62.8-37.3-179.6-74-166.7-2000112.4Y174 Q175 G180Y174-Q178 HydrophobicContact CD1-CG 4.41Å; Y174-Q178 HydrophobicContact CE1-CG 4.04Å; Y174-Q178 VanDerWaalsContact CZ-NE2 3.3Å; Y174-Q178 WeakPolarHBondContact O-CG 3.43Å; Y174-Q178 PolarHBondContact O-N 3.07Å; Y174-Q178 PolarHBondContact OH-NE2 3.06Å; Y174-Q178 VanDerWaalsContact OH-NE2 3.07Å; Q175-Q178 PolarHBondContact O-N 3.37Å; Q178-G180 PolarHBondContact O-N 2.88Å
179D75.1Confident69.9Low127 Ų12760.5 Ų60.568%0.67934%0.343SS*.THydrogen-bonded Turntrans-73.2-2.3177.5-65.6-21.3000112.7Q175 I177 S181Q175-D179 WeakPolarHBondContact O-CB 2.99Å; Q175-D179 VanDerWaalsContact O-CG 3.31Å; Q175-D179 PolarHBondContact O-N 3.43Å; I177-D179 VanDerWaalsContact C-N 3.29Å; I177-D179 PolarHBondContact O-N 2.98Å; D179-S181 PolarHBondContact O-N 2.96Å
180G63.5Low68.6Low57 Ų5760.5 Ų60.559%0.58834%0.344SS*.THydrogen-bonded Turntrans72.68.3-179.500000114.2I177 Q178 L182I177-G180 PolarHBondContact O-N 2.66Å; I177-G180 VanDerWaalsContact O-N 3.1Å; Q178-G180 PolarHBondContact O-N 2.88Å; G180-L182 VanDerWaalsContact C-N 3.29Å; G180-L182 PolarHBondContact O-N 3.33Å
181S60.9Low67.5Low51 Ų5160.8 Ų60.836%0.35735%0.346SS..  trans-75.3-17.7177.772.90000113.2N117 N176 D179N117-S181 PolarHBondContact ND2-O 2.75Å; N176-S181 WeakPolarHBondContact CA-OG 3.2Å; N176-S181 WeakPolarHBondContact CB-OG 3.26Å; N176-S181 PolarHBondContact O-N 2.86Å; N176-S181 PolarHBondContact O-OG 3.31Å; D179-S181 PolarHBondContact O-N 2.96Å
182L60.6Low66.5Low13 Ų1361.4 Ų61.47%0.06835%0.35CS..SBendtrans-115.7111.5176-78166.1000110.7N117 I173 N176 I177 G180 L184N117-L182 HydrophobicContact CB-CD2 3.58Å; N117-L182 HydrophobicContact CB-CG 4.21Å; I173-L182 HydrophobicContact CG2-CD1 4.33Å; N176-L182 HydrophobicContact CB-CD1 3.49Å; N176-L182 VanDerWaalsContact CB-CD1 3.49Å; N176-L182 HydrophobicContact CB-CG 4.09Å; N176-L182 PolarHBondContact O-N 3.05Å; I177-L182 HydrophobicContact CG1-CB 4Å; I177-L182 HydrophobicContact CG1-CD1 4Å; G180-L182 VanDerWaalsContact C-N 3.29Å; G180-L182 PolarHBondContact O-N 3.33Å; L182-L184 PolarHBondContact O-N 3.24Å; L182-L184 VanDerWaalsContact O-N 3.15Å
183D57.8Low65.5Low123 Ų12361.5 Ų61.566%0.65835%0.351SS*.  trans-70105.9174.7-95.4-44.6000111.4N185 A186 S189D183-N185 PolarHBondContact O-N 2.8Å; D183-N185 VanDerWaalsContact O-N 3.14Å; D183-A186 HydrophobicContact CB-CB 4.1Å; D183-A186 PolarHBondContact O-N 3.1Å; D183-A186 VanDerWaalsContact O-N 3.11Å; D183-S189 VanDerWaalsContact O-CB 3.22Å; D183-S189 WeakPolarHBondContact O-CB 3.04Å; D183-S189 PolarHBondContact O-OG 3.5Å
184L58.8Low64.3Low59 Ų5966.4 Ų66.431%0.30937%0.373SS..THydrogen-bonded Turntrans-63-17.4179.5-67.5175000114.4Y10 I177 L182 V191Y10-L184 HydrophobicContact CE1-CD1 4.36Å; Y10-L184 HydrophobicContact CE1-CD2 4.45Å; I177-L184 HydrophobicContact CB-CD2 4.47Å; I177-L184 HydrophobicContact CD1-CD2 4.12Å; I177-L184 HydrophobicContact CG1-CD2 4.01Å; I177-L184 HydrophobicContact CG2-CD1 3.77Å; I177-L184 HydrophobicContact CG2-CD2 3.63Å; I177-L184 HydrophobicContact CG2-CG 3.88Å; L182-L184 PolarHBondContact O-N 3.24Å; L182-L184 VanDerWaalsContact O-N 3.15Å; L184-V191 HydrophobicContact CD2-CB 3.96Å; L184-V191 HydrophobicContact CD2-CG1 3.41Å; L184-V191 VanDerWaalsContact CD2-CG1 3.41Å
185N50.8Low62.6Low166 Ų16670.2 Ų70.289%0.88840%0.399SS*.THydrogen-bonded Turntrans-93.6-10.8178.6-73.9-30.1000113.3D183 A187D183-N185 PolarHBondContact O-N 2.8Å; D183-N185 VanDerWaalsContact O-N 3.14Å; N185-A187 PolarHBondContact O-N 2.77Å
186A55.7Low60.7Low42 Ų4269.5 Ų69.535%0.34741%0.405SS..  trans-77.1120.2174.900000109D183 E188 S189D183-A186 HydrophobicContact CB-CB 4.1Å; D183-A186 PolarHBondContact O-N 3.1Å; D183-A186 VanDerWaalsContact O-N 3.11Å; A186-E188 PolarHBondContact O-N 3.09Å; A186-S189 WeakPolarHBondContact O-CB 3.49Å; A186-S189 PolarHBondContact O-N 3.29Å; A186-S189 PolarHBondContact O-OG 3.43Å
187A50.5Low59Low104 Ų10472.2 Ų72.286%0.8643%0.431SS*.THydrogen-bonded Turntrans-56.9-17.7173.600000112.8N185N185-A187 PolarHBondContact O-N 2.77Å
188E54.4Low57.2Low88 Ų8877.3 Ų77.341%0.41147%0.465SS..THydrogen-bonded Turntrans-87.8-9.4177.7-58.2-169.2133.100113.5R83 G84 N115 A186 G190R83-E188 IonicContact CZ-OE1 2.71Å; R83-E188 IonicContact NE-OE1 3.77Å; R83-E188 PolarHBondContact NE-OE1 3.14Å; R83-E188 IonicContact NH2-OE1 3.62Å; R83-E188 PolarHBondContact NH2-OE1 3.48Å; G84-E188 VanDerWaalsContact CA-O 3.31Å; G84-E188 WeakPolarHBondContact CA-O 3.23Å; N115-E188 PolarHBondContact ND2-O 2.94Å; A186-E188 PolarHBondContact O-N 3.09Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.07Å
189S55.6Low56Low8 Ų881.2 Ų81.26%0.05648%0.483CS..SBendtrans-73-18.4-17864.80000114.3D183 A186 V191D183-S189 VanDerWaalsContact O-CB 3.22Å; D183-S189 WeakPolarHBondContact O-CB 3.04Å; D183-S189 PolarHBondContact O-OG 3.5Å; A186-S189 WeakPolarHBondContact O-CB 3.49Å; A186-S189 PolarHBondContact O-N 3.29Å; A186-S189 PolarHBondContact O-OG 3.43Å; S189-V191 PolarHBondContact O-N 3.07Å; S189-V191 PolarHBondContact OG-N 3.16Å
190G58.1Low54.6Low4 Ų479 Ų794%0.04149%0.491CS..  trans72.48-174.900000114.7K13 G84 E188K13-G190 CarbonylContact C-O 3.58Å; K13-G190 VanDerWaalsContact CA-O 3.28Å; K13-G190 WeakPolarHBondContact CA-O 3.27Å; K13-G190 WeakPolarHBondContact CB-O 3.44Å; K13-G190 PolarHBondContact N-O 3.16Å; K13-G190 VanDerWaalsContact O-O 3.06Å; G84-G190 WeakPolarHBondContact O-CA 3.49Å; G84-G190 PolarHBondContact O-N 3.19Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.07Å
191V63Low53.2Low6 Ų679.6 Ų79.64%0.03650%0.497CS..EExtended strand (participates in β ladder)trans-117.1127.9-178.9-178.90000108.9Y10 F12 A86 I173 I177 L184 S189Y10-V191 HydrophobicContact CD1-CG1 4.17Å; F12-V191 HydrophobicContact CD1-CB 4.48Å; F12-V191 HydrophobicContact CD1-CG1 3.9Å; F12-V191 HydrophobicContact CD1-CG2 4.04Å; F12-V191 HydrophobicContact CE1-CG1 3.82Å; F12-V191 HydrophobicContact CE1-CG2 4.24Å; A86-V191 HydrophobicContact CB-CG2 3.98Å; I173-V191 HydrophobicContact CG2-CG2 4.31Å; I177-V191 HydrophobicContact CD1-CB 4.36Å; I177-V191 HydrophobicContact CD1-CG1 3.74Å; I177-V191 HydrophobicContact CD1-CG2 3.89Å; I177-V191 HydrophobicContact CG1-CG2 4.45Å; L184-V191 HydrophobicContact CD2-CB 3.96Å; L184-V191 HydrophobicContact CD2-CG1 3.41Å; L184-V191 VanDerWaalsContact CD2-CG1 3.41Å; S189-V191 PolarHBondContact O-N 3.07Å; S189-V191 PolarHBondContact OG-N 3.16Å
192Q66.9Low52.2Low86 Ų8688.8 Ų88.840%0.40252%0.523SS..EExtended strand (participates in β ladder)trans-115.4115.2170.8-65.4-173.4-41.700109.3I11 K13I11-Q192 HydrophobicContact CB-CB 4.24Å; I11-Q192 HydrophobicContact CD1-CB 4.48Å; I11-Q192 PolarHBondContact N-O 3.2Å; I11-Q192 PolarHBondContact O-N 3.34Å; K13-Q192 HydrophobicContact CD-CG 4.21Å; K13-Q192 VanDerWaalsContact NZ-CD 3.34Å; K13-Q192 VanDerWaalsContact NZ-NE2 3.14Å; K13-Q192 VanDerWaalsContact NZ-OE1 3.11Å
193H66.8Low51Low85 Ų8596.5 Ų96.539%0.39456%0.564SS.*EExtended strand (participates in β ladder)trans-80.2121.3168-176.7-113.3000108.8S9 Y10 P195S9-H193 PolarHBondContact O-CD2 3.31Å; Y10-H193 HydrophobicContact CD1-CB 4.21Å; Y10-H193 AromaticContact CD1-CD2 3.77Å; Y10-H193 HydrophobicContact CE1-CB 4.11Å; Y10-H193 AromaticContact CE1-CD2 3.33Å; Y10-H193 WeakPolarHBondContact CE1-CD2 3.39Å; Y10-H193 AromaticContact CZ-CD2 3.45Å; Y10-H193 VanDerWaalsContact CZ-CD2 3.45Å; H193-P195 WeakPolarHBondContact O-CD 3.46Å
194K56.8Low49.9Very low103 Ų10396.3 Ų96.345%0.44857%0.567SS.*  trans-97106.7165.4-79.8-159-179.5-178.70106.7Y8 S9 I11 S196Y8-K194 HydrophobicContact CE2-CD 3.68Å; Y8-K194 HydrophobicContact CE2-CG 4.25Å; Y8-K194 PolarHBondContact OH-NZ 3.28Å; S9-K194 PolarHBondContact O-N 3.14Å; I11-K194 HydrophobicContact CD1-CD 4.44Å; I11-K194 HydrophobicContact CD1-CG 4.37Å; K194-S196 PolarHBondContact O-N 3.36Å
195P47.9Very low48.9Very low97 Ų9799 Ų9963%0.6359%0.591SS**  trans-58.5120.4166.624-29.7000106.9H193 A197H193-P195 WeakPolarHBondContact O-CD 3.46Å; P195-A197 PolarHBondContact O-N 2.72Å
196S44.1Very low48.2Very low77 Ų7799.6 Ų99.654%0.53859%0.589SS.*  trans-53.9115.2167.645.70000106.8K194K194-S196 PolarHBondContact O-N 3.36Å
197A42Very low47.3Very low84 Ų84103.8 Ų103.869%0.69461%0.612SS**  trans-50.2135.2-178.600000109.6P195 Q199P195-A197 PolarHBondContact O-N 2.72Å; A197-Q199 PolarHBondContact O-N 2.87Å; A197-Q199 VanDerWaalsContact O-N 3.1Å
198P38.8Very low46.7Very low123 Ų123107.7 Ų107.780%0.79961%0.613SS**  trans-60.2119.8167.7-0.89.8000107.5G200P198-G200 PolarHBondContact O-N 3.05Å; P198-G200 VanDerWaalsContact O-N 3.14Å
199Q47.3Very low45.8Very low203 Ų203109.4 Ų109.495%0.94963%0.632SS**SBendtrans-62.5112.9162-80.3-176.2-1.900107.5A197A197-Q199 PolarHBondContact O-N 2.87Å; A197-Q199 VanDerWaalsContact O-N 3.1Å
200G46Very low44.9Very low81 Ų81118.4 Ų118.484%0.83567%0.673SS**  trans130.289164.300000114.7P198P198-G200 PolarHBondContact O-N 3.05Å; P198-G200 VanDerWaalsContact O-N 3.14Å
201G34Very low44Very low69 Ų69130.1 Ų130.171%0.71172%0.716SS**  trans-152.389.6161.100000108.8L203G201-L203 PolarHBondContact O-N 3.09Å; G201-L203 VanDerWaalsContact O-N 3.13Å
202R40Very low42.9Very low243 Ų243139.2 Ų139.292%0.91776%0.758SS**  trans-54.8114.3169.5-93.7176.1167.7177.9-4.2108.3T204R202-T204 PolarHBondContact O-N 3.18Å; R202-T204 VanDerWaalsContact O-N 3.15Å
203L35.3Very low41.4Very low175 Ų175139 Ų13992%0.91678%0.778SS**  trans-74.694162.6-79.5150.2000107.5G201 S205G201-L203 PolarHBondContact O-N 3.09Å; G201-L203 VanDerWaalsContact O-N 3.13Å; L203-S205 PolarHBondContact O-N 3.03Å
204T35.7Very low40.2Very low119 Ų119141.4 Ų141.473%0.7380%0.803SS**  trans-72113.8157.639.90000107.4R202 E206R202-T204 PolarHBondContact O-N 3.18Å; R202-T204 VanDerWaalsContact O-N 3.15Å; T204-E206 PolarHBondContact O-N 2.92Å
205S38.3Very low39.5Very low117 Ų117139.6 Ų139.682%0.81881%0.814SS**  trans-71.5114.1171.651.10000110.1L203L203-S205 PolarHBondContact O-N 3.03Å
206E35.8Very low39.1Very low178 Ų178145.1 Ų145.183%0.83285%0.852SS**  trans-119.9138.1158-84.7-178.780.900109.6T204T204-E206 PolarHBondContact O-N 2.92Å
207P37.1Very low38.8Very low130 Ų130148.5 Ų148.584%0.84487%0.868SS**PPolyproline II helixtrans-80.8141.7-175.3-4.723.3000112.5
208Q36.4Very low38.6Very low186 Ų186151.9 Ų151.987%0.86988%0.877SS**PPolyproline II helixtrans-64.7146.1172.8-78.4174.3-33.900113
209P36.2Very low38.6Very low124 Ų124153.5 Ų153.581%0.80588%0.881SS**PPolyproline II helixtrans-81144.8168.732.1-30.1000112
210Q37Very low38.1Very low196 Ų196150.6 Ų150.692%0.91688%0.877SS**PPolyproline II helixtrans-63.4138.4177.8-80.4168.3-30.800112.3
211R39.4Very low37.6Very low250 Ų250154.9 Ų154.994%0.94388%0.88SS**PPolyproline II helixtrans-74.1120.7170.8-79.2-180171.9-178-3110.6
212E38.8Very low37.9Very low198 Ų198160.7 Ų160.793%0.92589%0.891SS**PPolyproline II helixtrans-71.5131.8161-72.4179.4120.600110.3
213G36.7Very low37.7Very low80 Ų80154.8 Ų154.883%0.82589%0.889SS**PPolyproline II helixtrans-86.2128.9167.800000110.4
214C39.6Very low37.9Very low136 Ų136153.2 Ų153.292%0.91989%0.887SS**PPolyproline II helixtrans-90.2136171.9-162.50000109.4
215G42.5Very low38.1Very low65 Ų65156.1 Ų156.167%0.6790%0.9SS**  trans-91.1175.2-171.700000116
216C39.2Very low38.1Very low213 Ų213159.6 Ų159.6100%1.43991%0.908SS**  trans-1470144.8-83.50000107.3

Retrieved 216 of 216 residues in 56.9 ms (Link to these results)

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