GLCT_STAA8 Loading...

Protein GlcT

AlphaFold DB , UniProt , Accession Q2G2N4, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene glcT, Length 283 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.5Low87.6Confident102 Ų10258.3 Ų58.350%0.50231%0.308SS..  0149.20-71-172.8-179.400109.9Y4 D43 I46 I51M1-Y4 HydrophobicContact CB-CE2 3.89Å; M1-Y4 HydrophobicContact CG-CE2 4.38Å; M1-Y4 HydrophobicContact SD-CE2 4.11Å; M1-D43 WeakPolarHBondContact CA-OD1 3.46Å; M1-D43 WeakPolarHBondContact CB-OD1 3.44Å; M1-D43 WeakPolarHBondContact CG-OD1 3.37Å; M1-D43 PolarHBondContact N-OD1 2.93Å; M1-D43 PolarHBondContact N-OD2 3.41Å; M1-I46 HydrophobicContact SD-CD1 4.45Å; M1-I51 HydrophobicContact CE-CB 3.77Å; M1-I51 HydrophobicContact CE-CD1 3.72Å; M1-I51 HydrophobicContact CE-CG1 4.11Å; M1-I51 HydrophobicContact CE-CG2 4.37Å; M1-I51 HydrophobicContact SD-CD1 3.8Å
2G70.5Confident88Confident39 Ų3959.6 Ų59.640%0.40232%0.316SS..  trans-65.4168.3168.400000111.5Y4G2-Y4 VanDerWaalsContact O-CD2 3.24Å; G2-Y4 WeakPolarHBondContact O-CD2 3.47Å; G2-Y4 WeakPolarHBondContact O-CE2 3.15Å; G2-Y4 PolarHBondContact O-N 3.35Å
3E85.7Confident88.5Confident126 Ų12655.3 Ų55.359%0.58929%0.293SS*.  trans-71.1125.6173.6-170.2169.6-156.200109.7N19 A40E3-N19 PolarHBondContact O-ND2 2.57Å; E3-A40 HydrophobicContact CG-CB 4.25Å
4Y90.8Very high88.8Confident12 Ų1251.4 Ų51.45%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-112132.8176.4-65.1-78.1000109.2M1 G2 C17 T18 N19 V24 L26 A40 L41 K53M1-Y4 HydrophobicContact CB-CE2 3.89Å; M1-Y4 HydrophobicContact CG-CE2 4.38Å; M1-Y4 HydrophobicContact SD-CE2 4.11Å; G2-Y4 VanDerWaalsContact O-CD2 3.24Å; G2-Y4 WeakPolarHBondContact O-CD2 3.47Å; G2-Y4 WeakPolarHBondContact O-CE2 3.15Å; G2-Y4 PolarHBondContact O-N 3.35Å; Y4-C17 HydrophobicContact CD1-CB 4.35Å; Y4-T18 WeakPolarHBondContact CA-O 3.14Å; Y4-N19 HydrophobicContact CD1-CB 3.53Å; Y4-N19 HydrophobicContact CE1-CB 3.51Å; Y4-V24 HydrophobicContact CD1-CG2 3.6Å; Y4-V24 HydrophobicContact CE1-CG2 3.68Å; Y4-L26 HydrophobicContact CD1-CD1 4.41Å; Y4-L26 HydrophobicContact CD2-CD1 3.95Å; Y4-L26 HydrophobicContact CE1-CD2 4.43Å; Y4-L26 HydrophobicContact CE2-CD1 4.37Å; Y4-L26 HydrophobicContact CE2-CD2 4.44Å; Y4-L26 HydrophobicContact CG-CD1 3.97Å; Y4-A40 CarbonylContact O-C 3.59Å; Y4-A40 WeakPolarHBondContact O-CA 3.39Å; Y4-L41 PolarHBondContact N-O 3.28Å; Y4-L41 PolarHBondContact O-N 2.89Å; Y4-K53 WeakPolarHBondContact OH-CD 3.35Å; Y4-K53 VanDerWaalsContact OH-CE 3.26Å; Y4-K53 WeakPolarHBondContact OH-CE 3.44Å; Y4-K53 PolarHBondContact OH-NZ 2.82Å
5I93.1Very high89.2Confident79 Ų7947.9 Ų47.941%0.40525%0.254SS..EExtended strand (participates in β ladder)trans-102.2122.3175.4-58.2176.2000108.1T7 C17 T18I5-T7 PolarHBondContact O-N 3.07Å; I5-C17 CarbonylContact O-C 3.05Å; I5-C17 WeakPolarHBondContact O-CA 3.45Å; I5-C17 WeakPolarHBondContact O-CB 3.45Å; I5-T18 PolarHBondContact N-O 3.15Å; I5-T18 PolarHBondContact O-N 2.91Å
6V94.3Very high89.6Confident1 Ų145.3 Ų45.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-63.5121.5177.7177.10000108.9K35 K36 E37 G38 M39 L41V6-K35 HydrophobicContact CG2-CB 4.42Å; V6-K36 WeakPolarHBondContact CB-O 3.35Å; V6-E37 CarbonylContact O-C 3.53Å; V6-E37 WeakPolarHBondContact O-CA 3.44Å; V6-G38 PolarHBondContact O-N 2.92Å; V6-M39 HydrophobicContact CG2-CB 4.44Å; V6-M39 WeakPolarHBondContact CG2-O 3.46Å; V6-M39 PolarHBondContact N-O 3.2Å; V6-L41 HydrophobicContact CG2-CD1 3.58Å; V6-L41 HydrophobicContact CG2-CD2 4.4Å; V6-L41 HydrophobicContact CG2-CG 3.74Å
7T94.4Very high89.8Confident44 Ų4442.6 Ų42.627%0.2723%0.226SC..EExtended strand (participates in β ladder)trans-94.4-40.7170.756.20000110.8I5 V16 T18 E37I5-T7 PolarHBondContact O-N 3.07Å; T7-V16 PolarHBondContact N-O 3.29Å; T7-V16 VanDerWaalsContact OG1-C 3.28Å; T7-V16 WeakPolarHBondContact OG1-CB 3.39Å; T7-V16 WeakPolarHBondContact OG1-CG1 3.32Å; T7-V16 PolarHBondContact OG1-O 3.36Å; T7-T18 HydrophobicContact CG2-CG2 3.58Å; T7-E37 WeakPolarHBondContact O-CG 3.48Å
8K94.2Very high90Very high130 Ų13042.6 Ų42.657%0.56523%0.228SC*.EExtended strand (participates in β ladder)trans-155.5131.4179.8-171.6178.2179.6-175.20111.5L10 V16K8-L10 HydrophobicContact CD-CD2 3.98Å; K8-L10 HydrophobicContact CG-CD2 4.23Å; K8-V16 HydrophobicContact CB-CB 4.33Å; K8-V16 PolarHBondContact N-O 3.18Å; K8-V16 VanDerWaalsContact N-O 3.17Å; K8-V16 PolarHBondContact O-N 2.86Å
9T93.9Very high90Very high43 Ų4341.5 Ų41.526%0.26422%0.222SC..EExtended strand (participates in β ladder)trans-83.2121.5166.5-54.80000108.7N11 V15 G32 K35T9-N11 WeakPolarHBondContact CG2-O 3.18Å; T9-V15 HydrophobicContact CG2-CG1 4.12Å; T9-G32 WeakPolarHBondContact CG2-O 3.32Å; T9-K35 PolarHBondContact OG1-O 3.45Å
10L93Very high89.8Confident51 Ų5146.6 Ų46.627%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-85.5-43.8177.2-59.1-177000110.7K8 V14 V16 K64 V67K8-L10 HydrophobicContact CD-CD2 3.98Å; K8-L10 HydrophobicContact CG-CD2 4.23Å; L10-V14 HydrophobicContact CB-CB 4.3Å; L10-V14 HydrophobicContact CB-CG1 4.42Å; L10-V14 HydrophobicContact CD1-CG1 3.88Å; L10-V14 HydrophobicContact CG-CG1 4.48Å; L10-V14 PolarHBondContact N-O 3.44Å; L10-V16 HydrophobicContact CD1-CG2 3.86Å; L10-V16 HydrophobicContact CD2-CG2 3.94Å; L10-V16 HydrophobicContact CG-CG2 3.84Å; L10-K64 HydrophobicContact CD1-CG 3.93Å; L10-V67 HydrophobicContact CB-CG1 4.04Å
11N92.5Very high89.6Confident14 Ų1452.2 Ų52.28%0.07528%0.279CS..EExtended strand (participates in β ladder)trans-157-168.2169.269.43.8000110.5T9 N13 V14 D72 L75T9-N11 WeakPolarHBondContact CG2-O 3.18Å; N11-N13 PolarHBondContact O-N 2.93Å; N11-N13 VanDerWaalsContact O-N 3.09Å; N11-N13 WeakPolarHBondContact OD1-CA 3.41Å; N11-N13 PolarHBondContact OD1-N 3.33Å; N11-V14 PolarHBondContact N-O 2.8Å; N11-V14 WeakPolarHBondContact OD1-CB 3.42Å; N11-V14 WeakPolarHBondContact OD1-CG2 3.34Å; N11-V14 PolarHBondContact OD1-N 2.92Å; N11-D72 WeakPolarHBondContact CB-OD1 3.1Å; N11-D72 PolarHBondContact ND2-OD1 3.38Å; N11-L75 WeakPolarHBondContact ND2-CD1 3.15Å
12N92.6Very high91Very high74 Ų7453.8 Ų53.840%0.39629%0.285SS..THydrogen-bonded Turntrans-59.9-20.9179.5-72.2-32.5000114.2G30 I31 G32 F33N12-G30 CarbonylContact O-C 3.58Å; N12-G30 WeakPolarHBondContact O-CA 3.32Å; N12-I31 PolarHBondContact O-N 3.41Å; N12-I31 VanDerWaalsContact O-N 3.14Å; N12-G32 WeakPolarHBondContact O-CA 3.48Å; N12-G32 PolarHBondContact O-N 3.21Å; N12-F33 PolarHBondContact O-N 3.26Å
13N93.5Very high92Very high4 Ų455.1 Ų55.12%0.02128%0.281CS..THydrogen-bonded Turntrans-119.1-3.1-169.9-68.3-29.5000114.6N11 I27 G28 G30 I31 Q76 I79N11-N13 PolarHBondContact O-N 2.93Å; N11-N13 VanDerWaalsContact O-N 3.09Å; N11-N13 WeakPolarHBondContact OD1-CA 3.41Å; N11-N13 PolarHBondContact OD1-N 3.33Å; N13-I27 WeakPolarHBondContact O-CA 3.21Å; N13-G28 CarbonylContact C-O 3.56Å; N13-G28 VanDerWaalsContact CA-O 3.28Å; N13-G28 WeakPolarHBondContact CA-O 3.43Å; N13-G28 PolarHBondContact O-N 3.11Å; N13-G28 VanDerWaalsContact O-O 3.09Å; N13-G30 PolarHBondContact OD1-N 3.49Å; N13-I31 VanDerWaalsContact C-CG2 3.41Å; N13-I31 VanDerWaalsContact O-CG2 3.23Å; N13-I31 WeakPolarHBondContact O-CG2 3.44Å; N13-Q76 WeakPolarHBondContact ND2-CA 3.37Å; N13-Q76 WeakPolarHBondContact ND2-CB 3.46Å; N13-Q76 PolarHBondContact ND2-OE1 3.38Å; N13-Q76 PolarHBondContact OD1-OE1 2.96Å; N13-I79 HydrophobicContact CB-CD1 3.5Å
14V94Very high92.3Very high0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-141125.1-175.3-170.90000110.3L10 N11 I25 L26 I27 Y63 V67L10-V14 HydrophobicContact CB-CB 4.3Å; L10-V14 HydrophobicContact CB-CG1 4.42Å; L10-V14 HydrophobicContact CD1-CG1 3.88Å; L10-V14 HydrophobicContact CG-CG1 4.48Å; L10-V14 PolarHBondContact N-O 3.44Å; N11-V14 PolarHBondContact N-O 2.8Å; N11-V14 WeakPolarHBondContact OD1-CB 3.42Å; N11-V14 WeakPolarHBondContact OD1-CG2 3.34Å; N11-V14 PolarHBondContact OD1-N 2.92Å; V14-I25 HydrophobicContact CG1-CG2 3.48Å; V14-I25 VanDerWaalsContact CG1-CG2 3.48Å; V14-L26 WeakPolarHBondContact CA-O 3.23Å; V14-I27 HydrophobicContact CG1-CG1 4.25Å; V14-I27 HydrophobicContact CG2-CG1 4.42Å; V14-I27 HydrophobicContact CG2-CG2 4.42Å; V14-Y63 HydrophobicContact CG1-CD1 4.47Å; V14-Y63 HydrophobicContact CG1-CE1 4.33Å; V14-Y63 HydrophobicContact CG2-CE1 3.95Å; V14-V67 HydrophobicContact CB-CG2 4.34Å; V14-V67 HydrophobicContact CG1-CG2 4.31Å; V14-V67 HydrophobicContact CG2-CG2 3.86Å
15V94.3Very high92.5Very high0 Ų048.7 Ų48.70%025%0.252CS..EExtended strand (participates in β ladder)trans-127.7137176.9-68.20000110.8T9 L26 I31 L41T9-V15 HydrophobicContact CG2-CG1 4.12Å; V15-L26 HydrophobicContact CG2-CB 3.82Å; V15-L26 HydrophobicContact CG2-CD1 4.44Å; V15-L26 HydrophobicContact CG2-CG 4.48Å; V15-L26 PolarHBondContact N-O 2.79Å; V15-L26 PolarHBondContact O-N 3.03Å; V15-I31 HydrophobicContact CG1-CG2 4.45Å; V15-I31 HydrophobicContact CG2-CD1 4.14Å; V15-I31 HydrophobicContact CG2-CG1 4Å; V15-I31 HydrophobicContact CG2-CG2 4.06Å; V15-L41 HydrophobicContact CG2-CD1 4.02Å
16V95Very high92.5Very high5 Ų545 Ų453%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-88.3130166.7-169.20000107.5T7 K8 L10 E23T7-V16 PolarHBondContact N-O 3.29Å; T7-V16 VanDerWaalsContact OG1-C 3.28Å; T7-V16 WeakPolarHBondContact OG1-CB 3.39Å; T7-V16 WeakPolarHBondContact OG1-CG1 3.32Å; T7-V16 PolarHBondContact OG1-O 3.36Å; K8-V16 HydrophobicContact CB-CB 4.33Å; K8-V16 PolarHBondContact N-O 3.18Å; K8-V16 VanDerWaalsContact N-O 3.17Å; K8-V16 PolarHBondContact O-N 2.86Å; L10-V16 HydrophobicContact CD1-CG2 3.86Å; L10-V16 HydrophobicContact CD2-CG2 3.94Å; L10-V16 HydrophobicContact CG-CG2 3.84Å; V16-E23 HydrophobicContact CG1-CG 3.45Å; V16-E23 VanDerWaalsContact CG1-CG 3.45Å; V16-E23 WeakPolarHBondContact CG1-OE2 3.36Å
17C93.9Very high92.4Very high0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-131.9165179.7-57.40000111.1Y4 I5 E23 V24Y4-C17 HydrophobicContact CD1-CB 4.35Å; I5-C17 CarbonylContact O-C 3.05Å; I5-C17 WeakPolarHBondContact O-CA 3.45Å; I5-C17 WeakPolarHBondContact O-CB 3.45Å; C17-E23 CarbonylContact O-C 3.54Å; C17-E23 WeakPolarHBondContact O-CA 3.5Å; C17-V24 HydrophobicContact CB-CG2 3.95Å; C17-V24 PolarHBondContact N-O 3.15Å; C17-V24 PolarHBondContact O-N 2.92Å
18T92.9Very high92.3Very high43 Ų4342.8 Ų42.826%0.26422%0.22SC..EExtended strand (participates in β ladder)trans-110.1140.316545.30000110.7Y4 I5 T7 Q22Y4-T18 WeakPolarHBondContact CA-O 3.14Å; I5-T18 PolarHBondContact N-O 3.15Å; I5-T18 PolarHBondContact O-N 2.91Å; T7-T18 HydrophobicContact CG2-CG2 3.58Å; T18-Q22 CarbonylContact C-O 3.53Å; T18-Q22 WeakPolarHBondContact CA-O 3.18Å
19N89.4Confident92.1Very high22 Ų2241.3 Ų41.312%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-136.9118.5170.8-178.4-92.5000107.9E3 Y4 D21 Q22E3-N19 PolarHBondContact O-ND2 2.57Å; Y4-N19 HydrophobicContact CD1-CB 3.53Å; Y4-N19 HydrophobicContact CE1-CB 3.51Å; N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.25Å; N19-Q22 PolarHBondContact N-O 3.08Å; N19-Q22 WeakPolarHBondContact O-CB 3.5Å; N19-Q22 PolarHBondContact O-N 2.73Å
20N87.2Confident91.8Very high142 Ų14240.7 Ų40.776%0.75922%0.216SC*.THydrogen-bonded Turntrans48.350.3-175.9-58.8-29.3000112.7Q22N20-Q22 PolarHBondContact O-N 2.93Å
21D84.6Confident91.7Very high166 Ų16638.4 Ų38.489%0.88820%0.203SC*.THydrogen-bonded Turntrans62.36.3-177.1-54.9-45.1000116.2N19N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.25Å
22Q90.5Very high91.6Very high134 Ų13437.9 Ų37.963%0.62620%0.201SC*.EExtended strand (participates in β ladder)trans-98.7128.6173.3-62.5-170.4-28.200111.1T18 N19 N20T18-Q22 CarbonylContact C-O 3.53Å; T18-Q22 WeakPolarHBondContact CA-O 3.18Å; N19-Q22 PolarHBondContact N-O 3.08Å; N19-Q22 WeakPolarHBondContact O-CB 3.5Å; N19-Q22 PolarHBondContact O-N 2.73Å; N20-Q22 PolarHBondContact O-N 2.93Å
23E92.3Very high91.4Very high67 Ų6741 Ų4131%0.31321%0.212SC..EExtended strand (participates in β ladder)trans-71.8131.6172.9-169.9-162.381.300110.1V16 C17 K60 K64V16-E23 HydrophobicContact CG1-CG 3.45Å; V16-E23 VanDerWaalsContact CG1-CG 3.45Å; V16-E23 WeakPolarHBondContact CG1-OE2 3.36Å; C17-E23 CarbonylContact O-C 3.54Å; C17-E23 WeakPolarHBondContact O-CA 3.5Å; E23-K60 PolarHBondContact O-NZ 3.06Å; E23-K60 IonicContact OE1-NZ 2.76Å; E23-K60 PolarHBondContact OE1-NZ 3.26Å; E23-K64 VanDerWaalsContact CD-NZ 3.26Å; E23-K64 IonicContact OE1-NZ 2.82Å; E23-K64 PolarHBondContact OE1-NZ 2.93Å; E23-K64 IonicContact OE2-NZ 2.98Å; E23-K64 PolarHBondContact OE2-NZ 2.9Å; E23-K64 VanDerWaalsContact OE2-NZ 3.08Å
24V93Very high91.2Very high3 Ų346.6 Ų46.62%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-131.1151.2175.4-590000109.8Y4 C17 L26 K53 E55Y4-V24 HydrophobicContact CD1-CG2 3.6Å; Y4-V24 HydrophobicContact CE1-CG2 3.68Å; C17-V24 HydrophobicContact CB-CG2 3.95Å; C17-V24 PolarHBondContact N-O 3.15Å; C17-V24 PolarHBondContact O-N 2.92Å; V24-L26 HydrophobicContact CG2-CD2 4.3Å; V24-K53 HydrophobicContact CB-CG 4.48Å; V24-E55 HydrophobicContact CG1-CG 4.29Å
25I93.6Very high91Very high0 Ų049.3 Ų49.30%025%0.253CS..EExtended strand (participates in β ladder)trans-105.7127.2168.4-57.3179.4000108.2V14 I27 K53 L54 K60 K64V14-I25 HydrophobicContact CG1-CG2 3.48Å; V14-I25 VanDerWaalsContact CG1-CG2 3.48Å; I25-I27 HydrophobicContact CG2-CG1 4.01Å; I25-K53 WeakPolarHBondContact O-CA 3.28Å; I25-L54 HydrophobicContact CB-CB 4.26Å; I25-L54 PolarHBondContact N-O 3.31Å; I25-L54 VanDerWaalsContact N-O 3.13Å; I25-L54 PolarHBondContact O-N 3Å; I25-K60 HydrophobicContact CD1-CB 3.7Å; I25-K60 HydrophobicContact CD1-CG 3.9Å; I25-K60 WeakPolarHBondContact CD1-O 3.27Å; I25-K60 HydrophobicContact CG1-CB 4.19Å; I25-K60 HydrophobicContact CG1-CD 4.16Å; I25-K60 HydrophobicContact CG1-CG 3.87Å; I25-K64 HydrophobicContact CD1-CD 4.2Å; I25-K64 HydrophobicContact CD1-CG 3.67Å
26L92.8Very high90.8Very high1 Ų155.9 Ų55.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-104.7129.3171.1-51.8-179.9000109.2Y4 V14 V15 V24 I31 L41 I51 Y52 K53Y4-L26 HydrophobicContact CD1-CD1 4.41Å; Y4-L26 HydrophobicContact CD2-CD1 3.95Å; Y4-L26 HydrophobicContact CE1-CD2 4.43Å; Y4-L26 HydrophobicContact CE2-CD1 4.37Å; Y4-L26 HydrophobicContact CE2-CD2 4.44Å; Y4-L26 HydrophobicContact CG-CD1 3.97Å; V14-L26 WeakPolarHBondContact CA-O 3.23Å; V15-L26 HydrophobicContact CG2-CB 3.82Å; V15-L26 HydrophobicContact CG2-CD1 4.44Å; V15-L26 HydrophobicContact CG2-CG 4.48Å; V15-L26 PolarHBondContact N-O 2.79Å; V15-L26 PolarHBondContact O-N 3.03Å; V24-L26 HydrophobicContact CG2-CD2 4.3Å; L26-I31 HydrophobicContact CB-CD1 3.59Å; L26-I31 HydrophobicContact CD1-CD1 4.22Å; L26-L41 HydrophobicContact CD1-CD1 4.25Å; L26-I51 HydrophobicContact CB-CG2 3.89Å; L26-I51 HydrophobicContact CD2-CG2 4.14Å; L26-I51 HydrophobicContact CG-CG2 4.47Å; L26-Y52 WeakPolarHBondContact CA-O 3.33Å; L26-K53 HydrophobicContact CD2-CB 4.23Å; L26-K53 HydrophobicContact CD2-CG 4Å
27I93.3Very high90.7Very high0 Ų063.3 Ų63.30%032%0.316CS..EExtended strand (participates in β ladder)trans-120.6127.2-178.8-56.4155.6000107.5N13 V14 I25 I51 Y52 L54 Y63 I79 V98N13-I27 WeakPolarHBondContact O-CA 3.21Å; V14-I27 HydrophobicContact CG1-CG1 4.25Å; V14-I27 HydrophobicContact CG2-CG1 4.42Å; V14-I27 HydrophobicContact CG2-CG2 4.42Å; I25-I27 HydrophobicContact CG2-CG1 4.01Å; I27-I51 CarbonylContact O-C 3.53Å; I27-I51 WeakPolarHBondContact O-CA 3.39Å; I27-Y52 HydrophobicContact CG2-CD2 4.49Å; I27-Y52 PolarHBondContact N-O 3.47Å; I27-Y52 PolarHBondContact O-N 3.15Å; I27-L54 HydrophobicContact CD1-CD1 3.74Å; I27-L54 HydrophobicContact CD1-CG 3.99Å; I27-Y63 HydrophobicContact CD1-CD1 3.72Å; I27-Y63 HydrophobicContact CD1-CD2 4.09Å; I27-Y63 HydrophobicContact CD1-CE1 3.37Å; I27-Y63 HydrophobicContact CD1-CE2 3.77Å; I27-Y63 HydrophobicContact CD1-CG 4.07Å; I27-Y63 VanDerWaalsContact CD1-CZ 3.4Å; I27-Y63 HydrophobicContact CG1-CD1 4.14Å; I27-Y63 HydrophobicContact CG1-CE1 3.59Å; I27-Y63 HydrophobicContact CG2-CE1 4.36Å; I27-Y63 WeakPolarHBondContact CG2-OH 3.3Å; I27-I79 HydrophobicContact CG2-CD1 3.7Å; I27-I79 HydrophobicContact CG2-CG1 3.92Å; I27-V98 HydrophobicContact CD1-CG1 4.49Å; I27-V98 HydrophobicContact CD1-CG2 3.77Å; I27-V98 HydrophobicContact CG2-CG2 4.46Å
28G91.8Very high90.6Very high0 Ų066 Ų660%034%0.344CS..  trans-177.5153.4179.700000111.8N13 G30 I31N13-G28 CarbonylContact C-O 3.56Å; N13-G28 VanDerWaalsContact CA-O 3.28Å; N13-G28 WeakPolarHBondContact CA-O 3.43Å; N13-G28 PolarHBondContact O-N 3.11Å; N13-G28 VanDerWaalsContact O-O 3.09Å; G28-G30 PolarHBondContact O-N 3.03Å; G28-G30 VanDerWaalsContact O-N 3.08Å; G28-I31 VanDerWaalsContact O-CG2 3.29Å; G28-I31 WeakPolarHBondContact O-CG2 3.47Å; G28-I31 PolarHBondContact O-N 2.95Å; G28-I31 VanDerWaalsContact O-N 3.1Å
29K89.9Confident90.6Very high98 Ų9867.4 Ų67.443%0.42635%0.348SS..THydrogen-bonded Turntrans-58.3113-178.2178.7167.5-156151.70111.2I31 I48 Q76 I79 D80K29-I31 VanDerWaalsContact C-N 3.3Å; K29-I31 PolarHBondContact O-N 3.05Å; K29-I48 HydrophobicContact CB-CG2 4.45Å; K29-I48 WeakPolarHBondContact O-CD1 3.48Å; K29-I48 WeakPolarHBondContact O-CG1 3.21Å; K29-Q76 VanDerWaalsContact CE-NE2 3.32Å; K29-Q76 VanDerWaalsContact CG-NE2 3.32Å; K29-I79 HydrophobicContact CB-CG2 4.38Å; K29-D80 WeakPolarHBondContact CD-OD1 3.1Å; K29-D80 VanDerWaalsContact NZ-CG 3.29Å; K29-D80 IonicContact NZ-OD1 2.92Å; K29-D80 PolarHBondContact NZ-OD1 3.26Å; K29-D80 IonicContact NZ-OD2 3.94Å; K29-D80 PolarHBondContact NZ-OD2 2.89Å
30G88.5Confident90.6Very high31 Ų3168.2 Ų68.232%0.3236%0.358SS..THydrogen-bonded Turntrans73.411.3179.100000115.3N12 N13 G28 G32 F33N12-G30 CarbonylContact O-C 3.58Å; N12-G30 WeakPolarHBondContact O-CA 3.32Å; N13-G30 PolarHBondContact OD1-N 3.49Å; G28-G30 PolarHBondContact O-N 3.03Å; G28-G30 VanDerWaalsContact O-N 3.08Å; G30-G32 VanDerWaalsContact C-N 3.25Å; G30-G32 PolarHBondContact O-N 3.49Å; G30-F33 VanDerWaalsContact O-CB 3.28Å; G30-F33 WeakPolarHBondContact O-CB 3.47Å; G30-F33 PolarHBondContact O-N 2.99Å
31I89.9Confident90.5Very high2 Ų261.5 Ų61.51%0.0132%0.322CS..THydrogen-bonded Turntrans-63.2-29.8-175.2-162.5167.8000113.8N12 N13 V15 L26 G28 K29 K35 I48 I51N12-I31 PolarHBondContact O-N 3.41Å; N12-I31 VanDerWaalsContact O-N 3.14Å; N13-I31 VanDerWaalsContact C-CG2 3.41Å; N13-I31 VanDerWaalsContact O-CG2 3.23Å; N13-I31 WeakPolarHBondContact O-CG2 3.44Å; V15-I31 HydrophobicContact CG1-CG2 4.45Å; V15-I31 HydrophobicContact CG2-CD1 4.14Å; V15-I31 HydrophobicContact CG2-CG1 4Å; V15-I31 HydrophobicContact CG2-CG2 4.06Å; L26-I31 HydrophobicContact CB-CD1 3.59Å; L26-I31 HydrophobicContact CD1-CD1 4.22Å; G28-I31 VanDerWaalsContact O-CG2 3.29Å; G28-I31 WeakPolarHBondContact O-CG2 3.47Å; G28-I31 PolarHBondContact O-N 2.95Å; G28-I31 VanDerWaalsContact O-N 3.1Å; K29-I31 VanDerWaalsContact C-N 3.3Å; K29-I31 PolarHBondContact O-N 3.05Å; I31-K35 WeakPolarHBondContact O-CG 3.33Å; I31-I48 HydrophobicContact CB-CD1 3.46Å; I31-I48 VanDerWaalsContact CB-CD1 3.46Å; I31-I48 HydrophobicContact CG1-CD1 3.85Å; I31-I51 HydrophobicContact CD1-CD1 4.03Å; I31-I51 HydrophobicContact CD1-CG1 4.26Å; I31-I51 HydrophobicContact CD1-CG2 3.89Å
32G90.3Very high90.3Very high3 Ų355.6 Ų55.63%0.03129%0.29CS..THydrogen-bonded Turntrans-89.1-8.7176.300000114T9 N12 G30 N34 K35T9-G32 WeakPolarHBondContact CG2-O 3.32Å; N12-G32 WeakPolarHBondContact O-CA 3.48Å; N12-G32 PolarHBondContact O-N 3.21Å; G30-G32 VanDerWaalsContact C-N 3.25Å; G30-G32 PolarHBondContact O-N 3.49Å; G32-N34 PolarHBondContact O-N 2.89Å; G32-N34 VanDerWaalsContact O-N 3.15Å; G32-K35 PolarHBondContact O-N 2.96Å; G32-K35 VanDerWaalsContact O-N 3.1Å
33F89.2Confident89.4Confident141 Ų14154.1 Ų54.162%0.61829%0.287SS*.THydrogen-bonded Turntrans-61.4121.3-176.7-174.3-102.5000111N12 G30 K35N12-F33 PolarHBondContact O-N 3.26Å; G30-F33 VanDerWaalsContact O-CB 3.28Å; G30-F33 WeakPolarHBondContact O-CB 3.47Å; G30-F33 PolarHBondContact O-N 2.99Å; F33-K35 PolarHBondContact O-N 3.09Å; F33-K35 VanDerWaalsContact O-N 3.11Å
34N88.6Confident87.9Confident121 Ų12159.4 Ų59.465%0.64731%0.312SS*.THydrogen-bonded Turntrans55.622.9-178-157.927.2000114.6G32G32-N34 PolarHBondContact O-N 2.89Å; G32-N34 VanDerWaalsContact O-N 3.15Å
35K90Very high86.5Confident57 Ų5762.1 Ų62.125%0.24833%0.328CS..  trans-90.7136173.8-58.1-50.6-178.3172.30110.8V6 T9 I31 G32 F33 M39 L41V6-K35 HydrophobicContact CG2-CB 4.42Å; T9-K35 PolarHBondContact OG1-O 3.45Å; I31-K35 WeakPolarHBondContact O-CG 3.33Å; G32-K35 PolarHBondContact O-N 2.96Å; G32-K35 VanDerWaalsContact O-N 3.1Å; F33-K35 PolarHBondContact O-N 3.09Å; F33-K35 VanDerWaalsContact O-N 3.11Å; K35-M39 HydrophobicContact CD-SD 4.36Å; K35-L41 HydrophobicContact CD-CD2 3.85Å; K35-L41 HydrophobicContact CG-CD2 4.37Å
36K90.2Very high85.2Confident138 Ų13863.1 Ų63.160%0.633%0.334SS*.  trans-121.6157.6178.5-57.6-176-179.8-179.80110V6 G38 M39V6-K36 WeakPolarHBondContact CB-O 3.35Å; K36-G38 PolarHBondContact O-N 3.1Å; K36-M39 HydrophobicContact CB-CE 3.86Å; K36-M39 HydrophobicContact CB-CG 4.34Å; K36-M39 HydrophobicContact CB-SD 4.12Å; K36-M39 HydrophobicContact CD-CE 4.09Å; K36-M39 HydrophobicContact CG-CE 3.87Å; K36-M39 HydrophobicContact CG-SD 4.49Å; K36-M39 PolarHBondContact N-SD 2.86Å; K36-M39 VanDerWaalsContact O-CB 3.32Å; K36-M39 WeakPolarHBondContact O-CB 3.26Å; K36-M39 WeakPolarHBondContact O-CG 3.18Å; K36-M39 PolarHBondContact O-N 3.25Å; K36-M39 VanDerWaalsContact O-N 3.15Å
37E93.3Very high83.9Confident161 Ų16169.7 Ų69.775%0.75237%0.374SS*.THydrogen-bonded Turntrans-51.3136.3172.2-174.4175179.900111.2V6 T7 M39V6-E37 CarbonylContact O-C 3.53Å; V6-E37 WeakPolarHBondContact O-CA 3.44Å; T7-E37 WeakPolarHBondContact O-CG 3.48Å; E37-M39 VanDerWaalsContact C-N 3.33Å; E37-M39 PolarHBondContact O-N 2.93Å
38G91.8Very high82.6Confident56 Ų5671.4 Ų71.458%0.57738%0.383SS*.THydrogen-bonded Turntrans84.7-7.9-177.400000115.4V6 K36V6-G38 PolarHBondContact O-N 2.92Å; K36-G38 PolarHBondContact O-N 3.1Å
39M92Very high81.5Confident73 Ų7379.8 Ų79.836%0.3642%0.422SS..  trans-71.7136.7175.4-69.3-175.6172.700111.6V6 K35 K36 E37V6-M39 HydrophobicContact CG2-CB 4.44Å; V6-M39 WeakPolarHBondContact CG2-O 3.46Å; V6-M39 PolarHBondContact N-O 3.2Å; K35-M39 HydrophobicContact CD-SD 4.36Å; K36-M39 HydrophobicContact CB-CE 3.86Å; K36-M39 HydrophobicContact CB-CG 4.34Å; K36-M39 HydrophobicContact CB-SD 4.12Å; K36-M39 HydrophobicContact CD-CE 4.09Å; K36-M39 HydrophobicContact CG-CE 3.87Å; K36-M39 HydrophobicContact CG-SD 4.49Å; K36-M39 PolarHBondContact N-SD 2.86Å; K36-M39 VanDerWaalsContact O-CB 3.32Å; K36-M39 WeakPolarHBondContact O-CB 3.26Å; K36-M39 WeakPolarHBondContact O-CG 3.18Å; K36-M39 PolarHBondContact O-N 3.25Å; K36-M39 VanDerWaalsContact O-N 3.15Å; E37-M39 VanDerWaalsContact C-N 3.33Å; E37-M39 PolarHBondContact O-N 2.93Å
40A89.6Confident81.1Confident39 Ų3977.7 Ų77.732%0.32241%0.413SS..EExtended strand (participates in β ladder)trans-83.3131.6173.300000111.7E3 Y4 T45E3-A40 HydrophobicContact CG-CB 4.25Å; Y4-A40 CarbonylContact O-C 3.59Å; Y4-A40 WeakPolarHBondContact O-CA 3.39Å; A40-T45 PolarHBondContact O-OG1 3.5Å
41L86.3Confident81Confident1 Ų177.5 Ų77.51%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-110.7126.2171.9-60.2178.6000109Y4 V6 V15 L26 K35 T45 I46Y4-L41 PolarHBondContact N-O 3.28Å; Y4-L41 PolarHBondContact O-N 2.89Å; V6-L41 HydrophobicContact CG2-CD1 3.58Å; V6-L41 HydrophobicContact CG2-CD2 4.4Å; V6-L41 HydrophobicContact CG2-CG 3.74Å; V15-L41 HydrophobicContact CG2-CD1 4.02Å; L26-L41 HydrophobicContact CD1-CD1 4.25Å; K35-L41 HydrophobicContact CD-CD2 3.85Å; K35-L41 HydrophobicContact CG-CD2 4.37Å; L41-T45 WeakPolarHBondContact CA-OG1 3.37Å; L41-I46 HydrophobicContact CB-CD1 4.02Å; L41-I46 HydrophobicContact CB-CG1 4.23Å
42N80.2Confident81.1Confident41 Ų4177.6 Ų77.622%0.21940%0.404CS..  trans-147175.1178.263.936000109.7Q44 T45 I46N42-Q44 PolarHBondContact O-N 2.95Å; N42-Q44 WeakPolarHBondContact OD1-CA 3.48Å; N42-Q44 VanDerWaalsContact OD1-CB 3.31Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.49Å; N42-Q44 PolarHBondContact OD1-N 3.28Å; N42-T45 PolarHBondContact N-OG1 2.84Å; N42-T45 PolarHBondContact O-N 3.47Å; N42-T45 PolarHBondContact O-OG1 3.24Å; N42-T45 PolarHBondContact OD1-N 3.02Å; N42-T45 PolarHBondContact OD1-OG1 3.2Å; N42-I46 WeakPolarHBondContact O-CG1 3.48Å; N42-I46 PolarHBondContact O-N 3.31Å
43D70.2Confident81.1Confident104 Ų10479.6 Ų79.656%0.55641%0.412SS*.THydrogen-bonded Turntrans-57.4-22-178.4-65.1-23.1000113.5M1M1-D43 WeakPolarHBondContact CA-OD1 3.46Å; M1-D43 WeakPolarHBondContact CB-OD1 3.44Å; M1-D43 WeakPolarHBondContact CG-OD1 3.37Å; M1-D43 PolarHBondContact N-OD1 2.93Å; M1-D43 PolarHBondContact N-OD2 3.41Å
44Q61.1Low81.2Confident178 Ų17872.9 Ų72.983%0.83238%0.383SS*.THydrogen-bonded Turntrans-85.5-28.8178.3-57.9179.9-12.500112.5N42N42-Q44 PolarHBondContact O-N 2.95Å; N42-Q44 WeakPolarHBondContact OD1-CA 3.48Å; N42-Q44 VanDerWaalsContact OD1-CB 3.31Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.49Å; N42-Q44 PolarHBondContact OD1-N 3.28Å
45T63.9Low81.1Confident60 Ų6070.9 Ų70.937%0.36837%0.37SS..THydrogen-bonded Turntrans-95.3-12.3-177.761.50000113.6A40 L41 N42A40-T45 PolarHBondContact O-OG1 3.5Å; L41-T45 WeakPolarHBondContact CA-OG1 3.37Å; N42-T45 PolarHBondContact N-OG1 2.84Å; N42-T45 PolarHBondContact O-N 3.47Å; N42-T45 PolarHBondContact O-OG1 3.24Å; N42-T45 PolarHBondContact OD1-N 3.02Å; N42-T45 PolarHBondContact OD1-OG1 3.2Å
46I67.1Low81.1Confident21 Ų2170.8 Ų70.811%0.10838%0.376CS..  trans-102.8104.9178-52.5167.8000109.6M1 L41 N42 I48 I51M1-I46 HydrophobicContact SD-CD1 4.45Å; L41-I46 HydrophobicContact CB-CD1 4.02Å; L41-I46 HydrophobicContact CB-CG1 4.23Å; N42-I46 WeakPolarHBondContact O-CG1 3.48Å; N42-I46 PolarHBondContact O-N 3.31Å; I46-I48 HydrophobicContact CG2-CB 3.69Å; I46-I48 HydrophobicContact CG2-CD1 3.9Å; I46-I48 HydrophobicContact CG2-CG1 3.83Å; I46-I48 PolarHBondContact O-N 3.3Å; I46-I51 HydrophobicContact CB-CD1 4.18Å; I46-I51 HydrophobicContact CD1-CD1 3.49Å; I46-I51 VanDerWaalsContact CD1-CD1 3.49Å; I46-I51 HydrophobicContact CG1-CD1 4.32Å; I46-I51 HydrophobicContact CG2-CD1 3.4Å; I46-I51 VanDerWaalsContact CG2-CD1 3.4Å; I46-I51 HydrophobicContact CG2-CG1 4.23Å
47T64.1Low81.2Confident139 Ų13970.3 Ų70.385%0.85338%0.376SS*.  trans-86.816175.857.30000112.9
48I67.6Low81.2Confident36 Ų3670.4 Ų70.419%0.18538%0.376CS..  trans-94.4131.9-168.3-57.5168.9000108.7K29 I31 I46 K50K29-I48 HydrophobicContact CB-CG2 4.45Å; K29-I48 WeakPolarHBondContact O-CD1 3.48Å; K29-I48 WeakPolarHBondContact O-CG1 3.21Å; I31-I48 HydrophobicContact CB-CD1 3.46Å; I31-I48 VanDerWaalsContact CB-CD1 3.46Å; I31-I48 HydrophobicContact CG1-CD1 3.85Å; I46-I48 HydrophobicContact CG2-CB 3.69Å; I46-I48 HydrophobicContact CG2-CD1 3.9Å; I46-I48 HydrophobicContact CG2-CG1 3.83Å; I46-I48 PolarHBondContact O-N 3.3Å; I48-K50 WeakPolarHBondContact CG2-O 3.5Å; I48-K50 PolarHBondContact O-N 2.95Å
49E67.6Low81.2Confident175 Ų17569.4 Ų69.482%0.81836%0.356SS*.SBendtrans-57.1-35.2-175.5-63.7-179.117100113.1
50K81.7Confident81.3Confident54 Ų5466 Ų6624%0.23534%0.34CS..  trans-149.4139.8-175.9-155.4158.9-164.7138.30112.6I48 Y52 N83 S86 N87I48-K50 WeakPolarHBondContact CG2-O 3.5Å; I48-K50 PolarHBondContact O-N 2.95Å; K50-Y52 HydrophobicContact CG-CE2 4.4Å; K50-N83 WeakPolarHBondContact CB-OD1 3.41Å; K50-S86 PolarHBondContact NZ-O 2.79Å; K50-N87 PolarHBondContact NZ-OD1 2.98Å
51I87.2Confident81.5Confident28 Ų2867.1 Ų67.114%0.14435%0.349CS..  trans-132127.2178.2-51178.8000108.6M1 L26 I27 I31 I46M1-I51 HydrophobicContact CE-CB 3.77Å; M1-I51 HydrophobicContact CE-CD1 3.72Å; M1-I51 HydrophobicContact CE-CG1 4.11Å; M1-I51 HydrophobicContact CE-CG2 4.37Å; M1-I51 HydrophobicContact SD-CD1 3.8Å; L26-I51 HydrophobicContact CB-CG2 3.89Å; L26-I51 HydrophobicContact CD2-CG2 4.14Å; L26-I51 HydrophobicContact CG-CG2 4.47Å; I27-I51 CarbonylContact O-C 3.53Å; I27-I51 WeakPolarHBondContact O-CA 3.39Å; I31-I51 HydrophobicContact CD1-CD1 4.03Å; I31-I51 HydrophobicContact CD1-CG1 4.26Å; I31-I51 HydrophobicContact CD1-CG2 3.89Å; I46-I51 HydrophobicContact CB-CD1 4.18Å; I46-I51 HydrophobicContact CD1-CD1 3.49Å; I46-I51 VanDerWaalsContact CD1-CD1 3.49Å; I46-I51 HydrophobicContact CG1-CD1 4.32Å; I46-I51 HydrophobicContact CG2-CD1 3.4Å; I46-I51 VanDerWaalsContact CG2-CD1 3.4Å; I46-I51 HydrophobicContact CG2-CG1 4.23Å
52Y90.4Very high81.9Confident3 Ų370.3 Ų70.31%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-94.6131170.4-52.9-93.8000109L26 I27 K50 L82 N83 S86 V98L26-Y52 WeakPolarHBondContact CA-O 3.33Å; I27-Y52 HydrophobicContact CG2-CD2 4.49Å; I27-Y52 PolarHBondContact N-O 3.47Å; I27-Y52 PolarHBondContact O-N 3.15Å; K50-Y52 HydrophobicContact CG-CE2 4.4Å; Y52-L82 HydrophobicContact CE2-CB 4.24Å; Y52-L82 WeakPolarHBondContact OH-CB 3.11Å; Y52-L82 PolarHBondContact OH-O 3.07Å; Y52-L82 VanDerWaalsContact OH-O 3.06Å; Y52-N83 WeakPolarHBondContact CE2-OD1 3.21Å; Y52-N83 PolarHBondContact OH-N 3.08Å; Y52-N83 PolarHBondContact OH-OD1 2.95Å; Y52-S86 PolarHBondContact OH-OG 3.24Å; Y52-V98 HydrophobicContact CD1-CB 3.94Å; Y52-V98 HydrophobicContact CD1-CG1 4.25Å; Y52-V98 HydrophobicContact CD1-CG2 4.43Å; Y52-V98 HydrophobicContact CD2-CG2 4.39Å; Y52-V98 HydrophobicContact CG-CB 4.07Å; Y52-V98 HydrophobicContact CG-CG1 4.33Å; Y52-V98 HydrophobicContact CG-CG2 4.08Å
53K91.1Very high82.6Confident46 Ų4668.3 Ų68.320%0.235%0.353CS..EExtended strand (participates in β ladder)trans-111.5116.9-179.3-173.7-169.2-175.1-170.10109.9Y4 V24 I25 L26 E55Y4-K53 WeakPolarHBondContact OH-CD 3.35Å; Y4-K53 VanDerWaalsContact OH-CE 3.26Å; Y4-K53 WeakPolarHBondContact OH-CE 3.44Å; Y4-K53 PolarHBondContact OH-NZ 2.82Å; V24-K53 HydrophobicContact CB-CG 4.48Å; I25-K53 WeakPolarHBondContact O-CA 3.28Å; L26-K53 HydrophobicContact CD2-CB 4.23Å; L26-K53 HydrophobicContact CD2-CG 4Å; K53-E55 HydrophobicContact CD-CG 4.03Å; K53-E55 WeakPolarHBondContact CD-OE1 3.49Å; K53-E55 WeakPolarHBondContact CE-OE1 3.47Å; K53-E55 HydrophobicContact CG-CG 4.12Å; K53-E55 IonicContact NZ-OE1 2.76Å; K53-E55 PolarHBondContact NZ-OE1 3.48Å
54L91.7Very high83.7Confident0 Ų065.9 Ų65.90%034%0.338CS..EExtended strand (participates in β ladder)trans-99.9125.5172.3-55.6-177.9000110.3I25 I27 K60 Y63 V98 V99I25-L54 HydrophobicContact CB-CB 4.26Å; I25-L54 PolarHBondContact N-O 3.31Å; I25-L54 VanDerWaalsContact N-O 3.13Å; I25-L54 PolarHBondContact O-N 3Å; I27-L54 HydrophobicContact CD1-CD1 3.74Å; I27-L54 HydrophobicContact CD1-CG 3.99Å; L54-K60 HydrophobicContact CB-CG 4Å; L54-Y63 HydrophobicContact CD1-CD1 4.39Å; L54-Y63 HydrophobicContact CD1-CD2 4.05Å; L54-Y63 HydrophobicContact CD1-CG 3.75Å; L54-V98 HydrophobicContact CD2-CG1 3.81Å; L54-V99 HydrophobicContact CD1-CG2 3.85Å; L54-V99 HydrophobicContact CD2-CG2 3.77Å; L54-V99 HydrophobicContact CG-CG2 4.49Å
55E86.1Confident85.4Confident79 Ų7959.7 Ų59.737%0.36931%0.314SS..  trans-116.3-32-177.4-66.8166.4145.600111.9V24 K53 E57 K60 K95V24-E55 HydrophobicContact CG1-CG 4.29Å; K53-E55 HydrophobicContact CD-CG 4.03Å; K53-E55 WeakPolarHBondContact CD-OE1 3.49Å; K53-E55 WeakPolarHBondContact CE-OE1 3.47Å; K53-E55 HydrophobicContact CG-CG 4.12Å; K53-E55 IonicContact NZ-OE1 2.76Å; K53-E55 PolarHBondContact NZ-OE1 3.48Å; E55-E57 PolarHBondContact O-N 3.47Å; E55-K60 WeakPolarHBondContact O-CE 3.2Å; E55-K95 IonicContact OE2-NZ 3.79Å; E55-K95 PolarHBondContact OE2-NZ 3.36Å
56S90.8Very high86.9Confident54 Ų5456.9 Ų56.938%0.37830%0.297SS..SBendtrans-66.8128.7177.8169.20000111.2Q58 Q59 K60S56-Q58 PolarHBondContact O-N 3.09Å; S56-Q58 PolarHBondContact OG-N 3.38Å; S56-Q59 PolarHBondContact O-N 3.13Å; S56-Q59 VanDerWaalsContact O-N 3.14Å; S56-K60 WeakPolarHBondContact O-CB 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.5Å; S56-K60 PolarHBondContact O-N 3.04Å
57E91.4Very high88.2Confident128 Ų12856.6 Ų56.660%0.59830%0.296SS*.Hα-helixtrans-53.6-41177.2-67.1-53.414000112.6E55 K60 A61E55-E57 PolarHBondContact O-N 3.47Å; E57-K60 VanDerWaalsContact CD-CE 3.46Å; E57-K60 PolarHBondContact O-N 3.17Å; E57-K60 VanDerWaalsContact OE1-CE 3.26Å; E57-K60 WeakPolarHBondContact OE1-CE 3.34Å; E57-K60 IonicContact OE1-NZ 3.97Å; E57-K60 PolarHBondContact OE1-NZ 3.21Å; E57-K60 WeakPolarHBondContact OE2-CE 3.37Å; E57-K60 IonicContact OE2-NZ 2.71Å; E57-K60 PolarHBondContact OE2-NZ 3.15Å; E57-A61 WeakPolarHBondContact O-CB 3.33Å; E57-A61 PolarHBondContact O-N 3.43Å
58Q92.5Very high89.6Confident163 Ų16357.8 Ų57.876%0.76229%0.292SS*.Hα-helixtrans-64.9-46.3179-175-178.5-2.500111.6S56 H62S56-Q58 PolarHBondContact O-N 3.09Å; S56-Q58 PolarHBondContact OG-N 3.38Å; Q58-H62 WeakPolarHBondContact O-CB 3.35Å; Q58-H62 PolarHBondContact O-N 2.98Å
59Q92.3Very high90.9Very high35 Ų3559.7 Ų59.716%0.16430%0.302CS..Hα-helixtrans-65.3-41.3177.8-73.2177.5-25.700111.1S56 H62 Y63 V99S56-Q59 PolarHBondContact O-N 3.13Å; S56-Q59 VanDerWaalsContact O-N 3.14Å; Q59-H62 PolarHBondContact O-N 3.22Å; Q59-Y63 WeakPolarHBondContact O-CB 3.28Å; Q59-Y63 PolarHBondContact O-N 3.37Å; Q59-V99 HydrophobicContact CB-CG2 4.11Å; Q59-V99 HydrophobicContact CG-CG2 4.2Å
60K93.9Very high92.1Very high1 Ų152 Ų520%0.00427%0.268CS..Hα-helixtrans-61.9-50.5177.9-73-171.7-62.3167.70111.8E23 I25 L54 E55 S56 E57 H62 Y63 K64E23-K60 PolarHBondContact O-NZ 3.06Å; E23-K60 IonicContact OE1-NZ 2.76Å; E23-K60 PolarHBondContact OE1-NZ 3.26Å; I25-K60 HydrophobicContact CD1-CB 3.7Å; I25-K60 HydrophobicContact CD1-CG 3.9Å; I25-K60 WeakPolarHBondContact CD1-O 3.27Å; I25-K60 HydrophobicContact CG1-CB 4.19Å; I25-K60 HydrophobicContact CG1-CD 4.16Å; I25-K60 HydrophobicContact CG1-CG 3.87Å; L54-K60 HydrophobicContact CB-CG 4Å; E55-K60 WeakPolarHBondContact O-CE 3.2Å; S56-K60 WeakPolarHBondContact O-CB 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.5Å; S56-K60 PolarHBondContact O-N 3.04Å; E57-K60 VanDerWaalsContact CD-CE 3.46Å; E57-K60 PolarHBondContact O-N 3.17Å; E57-K60 VanDerWaalsContact OE1-CE 3.26Å; E57-K60 WeakPolarHBondContact OE1-CE 3.34Å; E57-K60 IonicContact OE1-NZ 3.97Å; E57-K60 PolarHBondContact OE1-NZ 3.21Å; E57-K60 WeakPolarHBondContact OE2-CE 3.37Å; E57-K60 IonicContact OE2-NZ 2.71Å; E57-K60 PolarHBondContact OE2-NZ 3.15Å; K60-H62 VanDerWaalsContact C-N 3.34Å; K60-H62 PolarHBondContact O-N 3.31Å; K60-Y63 PolarHBondContact O-N 3.41Å; K60-K64 WeakPolarHBondContact O-CG 3.29Å; K60-K64 PolarHBondContact O-N 2.87Å
61A94Very high92.6Very high63 Ų6354.1 Ų54.152%0.52128%0.282SS..Hα-helixtrans-60.8-44.8179.700000111.6E57 K64 S65E57-A61 WeakPolarHBondContact O-CB 3.33Å; E57-A61 PolarHBondContact O-N 3.43Å; A61-K64 PolarHBondContact O-N 3.27Å; A61-S65 PolarHBondContact O-N 3.34Å
62H94.4Very high92.8Very high68 Ų6856.2 Ų56.232%0.31529%0.294SS..Hα-helixtrans-64.9-46.2178.4-176.143.3000111.9Q58 Q59 K60 K64 S65 L66 D103Q58-H62 WeakPolarHBondContact O-CB 3.35Å; Q58-H62 PolarHBondContact O-N 2.98Å; Q59-H62 PolarHBondContact O-N 3.22Å; K60-H62 VanDerWaalsContact C-N 3.34Å; K60-H62 PolarHBondContact O-N 3.31Å; H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 2.92Å; H62-S65 WeakPolarHBondContact O-CB 3.29Å; H62-S65 PolarHBondContact O-N 3.25Å; H62-S65 VanDerWaalsContact O-N 3.09Å; H62-S65 PolarHBondContact O-OG 2.82Å; H62-L66 PolarHBondContact O-N 2.95Å; H62-L66 VanDerWaalsContact O-N 3.09Å; H62-D103 IonicContact CE1-OD1 2.65Å; H62-D103 IonicContact NE2-OD1 2.67Å; H62-D103 IonicContact NE2-OD2 2.61Å
63Y95.1Very high93Very high0 Ų060.9 Ų60.90%032%0.319CS..Hα-helixtrans-64.4-37.8179.4-157.4-89.6000112.3V14 I27 L54 Q59 K60 S65 L66 V67 V98 V99 T102V14-Y63 HydrophobicContact CG1-CD1 4.47Å; V14-Y63 HydrophobicContact CG1-CE1 4.33Å; V14-Y63 HydrophobicContact CG2-CE1 3.95Å; I27-Y63 HydrophobicContact CD1-CD1 3.72Å; I27-Y63 HydrophobicContact CD1-CD2 4.09Å; I27-Y63 HydrophobicContact CD1-CE1 3.37Å; I27-Y63 HydrophobicContact CD1-CE2 3.77Å; I27-Y63 HydrophobicContact CD1-CG 4.07Å; I27-Y63 VanDerWaalsContact CD1-CZ 3.4Å; I27-Y63 HydrophobicContact CG1-CD1 4.14Å; I27-Y63 HydrophobicContact CG1-CE1 3.59Å; I27-Y63 HydrophobicContact CG2-CE1 4.36Å; I27-Y63 WeakPolarHBondContact CG2-OH 3.3Å; L54-Y63 HydrophobicContact CD1-CD1 4.39Å; L54-Y63 HydrophobicContact CD1-CD2 4.05Å; L54-Y63 HydrophobicContact CD1-CG 3.75Å; Q59-Y63 WeakPolarHBondContact O-CB 3.28Å; Q59-Y63 PolarHBondContact O-N 3.37Å; K60-Y63 PolarHBondContact O-N 3.41Å; Y63-S65 VanDerWaalsContact C-N 3.31Å; Y63-S65 PolarHBondContact O-N 3.1Å; Y63-L66 HydrophobicContact CD2-CD1 4.4Å; Y63-L66 WeakPolarHBondContact O-CB 3.47Å; Y63-L66 PolarHBondContact O-N 3.5Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; Y63-V67 HydrophobicContact CD1-CG2 3.86Å; Y63-V67 HydrophobicContact CE1-CG2 3.75Å; Y63-V67 WeakPolarHBondContact O-CG2 3.23Å; Y63-V67 PolarHBondContact O-N 3.08Å; Y63-V98 HydrophobicContact CE2-CG2 3.9Å; Y63-V99 HydrophobicContact CD2-CG2 4.21Å; Y63-T102 HydrophobicContact CE2-CG2 3.76Å
64K94.8Very high93.2Very high52 Ų5258.8 Ų58.823%0.22631%0.31CS..Hα-helixtrans-56-45.3171.7-73.6175.2-174.2175.40111.2L10 E23 I25 K60 A61 H62 L66 V67 E68L10-K64 HydrophobicContact CD1-CG 3.93Å; E23-K64 VanDerWaalsContact CD-NZ 3.26Å; E23-K64 IonicContact OE1-NZ 2.82Å; E23-K64 PolarHBondContact OE1-NZ 2.93Å; E23-K64 IonicContact OE2-NZ 2.98Å; E23-K64 PolarHBondContact OE2-NZ 2.9Å; E23-K64 VanDerWaalsContact OE2-NZ 3.08Å; I25-K64 HydrophobicContact CD1-CD 4.2Å; I25-K64 HydrophobicContact CD1-CG 3.67Å; K60-K64 WeakPolarHBondContact O-CG 3.29Å; K60-K64 PolarHBondContact O-N 2.87Å; A61-K64 PolarHBondContact O-N 3.27Å; H62-K64 VanDerWaalsContact C-N 3.34Å; H62-K64 PolarHBondContact O-N 2.92Å; K64-L66 VanDerWaalsContact C-N 3.29Å; K64-L66 PolarHBondContact O-N 3.26Å; K64-V67 PolarHBondContact O-N 3.42Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 3.14Å; K64-E68 VanDerWaalsContact O-N 3.13Å
65S95.4Very high93.4Very high49 Ų4958.8 Ų58.834%0.34331%0.31SS..Hα-helixtrans-64.4-32.317875.70000113.4A61 H62 Y63 I69A61-S65 PolarHBondContact O-N 3.34Å; H62-S65 WeakPolarHBondContact O-CB 3.29Å; H62-S65 PolarHBondContact O-N 3.25Å; H62-S65 VanDerWaalsContact O-N 3.09Å; H62-S65 PolarHBondContact O-OG 2.82Å; Y63-S65 VanDerWaalsContact C-N 3.31Å; Y63-S65 PolarHBondContact O-N 3.1Å; S65-I69 WeakPolarHBondContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG2 3.45Å
66L95.8Very high93.8Very high1 Ų156.8 Ų56.81%0.00530%0.3CS..Hα-helixtrans-68.3-41.1175.1-66.3175.6000111.5H62 Y63 K64 E68 I69 A70 T102 D103 I106 F107H62-L66 PolarHBondContact O-N 2.95Å; H62-L66 VanDerWaalsContact O-N 3.09Å; Y63-L66 HydrophobicContact CD2-CD1 4.4Å; Y63-L66 WeakPolarHBondContact O-CB 3.47Å; Y63-L66 PolarHBondContact O-N 3.5Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; K64-L66 VanDerWaalsContact C-N 3.29Å; K64-L66 PolarHBondContact O-N 3.26Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.48Å; L66-I69 HydrophobicContact CD2-CD1 4.44Å; L66-I69 WeakPolarHBondContact O-CG1 3.26Å; L66-I69 PolarHBondContact O-N 3.02Å; L66-A70 VanDerWaalsContact O-CB 3.26Å; L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 2.97Å; L66-T102 HydrophobicContact CD1-CG2 4.17Å; L66-D103 HydrophobicContact CD1-CB 3.87Å; L66-D103 HydrophobicContact CD2-CB 4.33Å; L66-D103 WeakPolarHBondContact CD2-OD1 3.38Å; L66-I106 HydrophobicContact CB-CD1 3.82Å; L66-I106 HydrophobicContact CD2-CD1 4.22Å; L66-I106 HydrophobicContact CG-CD1 4.46Å; L66-F107 HydrophobicContact CD2-CE2 4.3Å
67V94.9Very high94.1Very high15 Ų1554.7 Ų54.79%0.09129%0.285CS..Hα-helixtrans-64-38.3178175.80000111.5L10 V14 Y63 K64 I69 L75L10-V67 HydrophobicContact CB-CG1 4.04Å; V14-V67 HydrophobicContact CB-CG2 4.34Å; V14-V67 HydrophobicContact CG1-CG2 4.31Å; V14-V67 HydrophobicContact CG2-CG2 3.86Å; Y63-V67 HydrophobicContact CD1-CG2 3.86Å; Y63-V67 HydrophobicContact CE1-CG2 3.75Å; Y63-V67 WeakPolarHBondContact O-CG2 3.23Å; Y63-V67 PolarHBondContact O-N 3.08Å; K64-V67 PolarHBondContact O-N 3.42Å; V67-I69 PolarHBondContact O-N 3.1Å; V67-L75 HydrophobicContact CB-CD1 4.35Å; V67-L75 HydrophobicContact CG1-CD1 4.12Å; V67-L75 HydrophobicContact CG2-CD1 4.22Å
68E93.8Very high94.3Very high164 Ų16448.6 Ų48.677%0.76626%0.257SS*.Hα-helixtrans-64-28.8179-73.6176.7179.400113.6K64 L66K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 3.14Å; K64-E68 VanDerWaalsContact O-N 3.13Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 3.48Å
69I93.4Very high94.4Very high75 Ų7540.8 Ų40.839%0.38522%0.22SC..Hα-helixtrans-105.5-2.9-172.872175.7000113.6S65 L66 V67 I106 F107 K110S65-I69 WeakPolarHBondContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG2 3.45Å; L66-I69 HydrophobicContact CD2-CD1 4.44Å; L66-I69 WeakPolarHBondContact O-CG1 3.26Å; L66-I69 PolarHBondContact O-N 3.02Å; V67-I69 PolarHBondContact O-N 3.1Å; I69-I106 HydrophobicContact CD1-CG2 4.35Å; I69-I106 HydrophobicContact CG1-CG2 4.35Å; I69-F107 HydrophobicContact CD1-CZ 4.5Å; I69-K110 VanDerWaalsContact CB-NZ 3.26Å; I69-K110 VanDerWaalsContact CG1-NZ 3.31Å; I69-K110 WeakPolarHBondContact O-CE 3.38Å; I69-K110 PolarHBondContact O-NZ 3.17Å
70A93.6Very high94.5Very high13 Ų1341.4 Ų41.411%0.10723%0.225CC..SBendtrans-111.7142.7-175.600000111.3L66 L75 I106L66-A70 VanDerWaalsContact O-CB 3.26Å; L66-A70 WeakPolarHBondContact O-CB 3.25Å; L66-A70 PolarHBondContact O-N 2.97Å; A70-L75 HydrophobicContact CB-CD1 4.09Å; A70-L75 HydrophobicContact CB-CD2 4.06Å; A70-L75 HydrophobicContact CB-CG 3.83Å; A70-I106 HydrophobicContact CB-CD1 3.64Å; A70-I106 HydrophobicContact CB-CG1 3.87Å; A70-I106 HydrophobicContact CB-CG2 4.3Å
71D92.1Very high94.6Very high99 Ų9941.3 Ų41.353%0.52922%0.224SC..  trans-68.9143.1173.5-60.1-45.1000110.4N73 V74 L75D71-N73 PolarHBondContact O-N 2.96Å; D71-V74 HydrophobicContact CB-CB 4.43Å; D71-V74 HydrophobicContact CB-CG2 4.02Å; D71-V74 WeakPolarHBondContact O-CB 3.48Å; D71-V74 PolarHBondContact O-N 2.76Å; D71-L75 PolarHBondContact O-N 3.46Å
72D92.1Very high94.6Very high73 Ų7338.3 Ų38.339%0.3920%0.2SC..Hα-helixtrans-56.2-36.3180-83-5.8000113N11 L75 Q76N11-D72 WeakPolarHBondContact CB-OD1 3.1Å; N11-D72 PolarHBondContact ND2-OD1 3.38Å; D72-L75 PolarHBondContact O-N 3.33Å; D72-Q76 WeakPolarHBondContact O-CB 3.33Å; D72-Q76 PolarHBondContact O-N 3.05Å
73N94Very high94.5Very high101 Ų10135.7 Ų35.754%0.5419%0.188SC..Hα-helixtrans-64.6-42.9175.4-173.453.8000111.5D71 Q76 V77D71-N73 PolarHBondContact O-N 2.96Å; N73-Q76 WeakPolarHBondContact O-CB 3.48Å; N73-Q76 PolarHBondContact O-N 2.85Å; N73-V77 WeakPolarHBondContact O-CG2 3.32Å; N73-V77 PolarHBondContact O-N 2.75Å; N73-V77 VanDerWaalsContact O-N 3.08Å
74V95.9Very high94.4Very high2 Ų238.4 Ų38.41%0.01220%0.2CC..Hα-helixtrans-63-45.7178.2176.40000110.2D71 Q76 V77 I78 Y109 L148D71-V74 HydrophobicContact CB-CB 4.43Å; D71-V74 HydrophobicContact CB-CG2 4.02Å; D71-V74 WeakPolarHBondContact O-CB 3.48Å; D71-V74 PolarHBondContact O-N 2.76Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.43Å; V74-V77 PolarHBondContact O-N 3.49Å; V74-I78 HydrophobicContact CG1-CD1 3.87Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 2.99Å; V74-I78 PolarHBondContact O-N 2.81Å; V74-Y109 HydrophobicContact CG1-CD1 4.39Å; V74-Y109 HydrophobicContact CG1-CG 4.49Å; V74-Y109 HydrophobicContact CG2-CD1 3.96Å; V74-Y109 HydrophobicContact CG2-CE1 3.57Å; V74-Y109 HydrophobicContact CG2-CE2 4.21Å; V74-Y109 HydrophobicContact CG2-CG 4.41Å; V74-L148 HydrophobicContact CG2-CD2 4.03Å
75L95.4Very high94.4Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-61.5-39.1176.4-73.1170.5000112.5N11 V67 A70 D71 D72 I78 I79 T102 I106N11-L75 WeakPolarHBondContact ND2-CD1 3.15Å; V67-L75 HydrophobicContact CB-CD1 4.35Å; V67-L75 HydrophobicContact CG1-CD1 4.12Å; V67-L75 HydrophobicContact CG2-CD1 4.22Å; A70-L75 HydrophobicContact CB-CD1 4.09Å; A70-L75 HydrophobicContact CB-CD2 4.06Å; A70-L75 HydrophobicContact CB-CG 3.83Å; D71-L75 PolarHBondContact O-N 3.46Å; D72-L75 PolarHBondContact O-N 3.33Å; L75-I78 PolarHBondContact O-N 2.9Å; L75-I79 VanDerWaalsContact O-CG1 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.4Å; L75-T102 HydrophobicContact CD2-CG2 4.04Å; L75-I106 HydrophobicContact CD2-CD1 4.05Å
76Q94.9Very high94Very high36 Ų3634.6 Ų34.617%0.16818%0.179CC..Hα-helixtrans-59.8-47175.4-179.257.567.900111.8N13 K29 D72 N73 V74 I78 I79 D80N13-Q76 WeakPolarHBondContact ND2-CA 3.37Å; N13-Q76 WeakPolarHBondContact ND2-CB 3.46Å; N13-Q76 PolarHBondContact ND2-OE1 3.38Å; N13-Q76 PolarHBondContact OD1-OE1 2.96Å; K29-Q76 VanDerWaalsContact CE-NE2 3.32Å; K29-Q76 VanDerWaalsContact CG-NE2 3.32Å; D72-Q76 WeakPolarHBondContact O-CB 3.33Å; D72-Q76 PolarHBondContact O-N 3.05Å; N73-Q76 WeakPolarHBondContact O-CB 3.48Å; N73-Q76 PolarHBondContact O-N 2.85Å; V74-Q76 VanDerWaalsContact C-N 3.32Å; V74-Q76 PolarHBondContact O-N 3.43Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.33Å; Q76-I79 PolarHBondContact O-N 3.02Å; Q76-D80 PolarHBondContact NE2-OD1 2.97Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.1Å; Q76-D80 PolarHBondContact NE2-OD2 3.41Å; Q76-D80 PolarHBondContact O-N 3.09Å
77V96.4Very high93.7Very high10 Ų1039.6 Ų39.66%0.06121%0.206CC..Hα-helixtrans-65.8-37.6179.7179.50000111.4N73 V74 D80 S81 L144 A147 L148N73-V77 WeakPolarHBondContact O-CG2 3.32Å; N73-V77 PolarHBondContact O-N 2.75Å; N73-V77 VanDerWaalsContact O-N 3.08Å; V74-V77 PolarHBondContact O-N 3.49Å; V77-D80 PolarHBondContact O-N 3.02Å; V77-S81 WeakPolarHBondContact O-CB 3.49Å; V77-S81 PolarHBondContact O-N 3Å; V77-S81 PolarHBondContact O-OG 2.89Å; V77-L144 HydrophobicContact CG1-CD2 3.75Å; V77-A147 HydrophobicContact CB-CB 4.4Å; V77-A147 HydrophobicContact CG1-CB 3.87Å; V77-A147 HydrophobicContact CG2-CB 3.51Å; V77-L148 HydrophobicContact CB-CD2 4.19Å; V77-L148 HydrophobicContact CB-CG 4.49Å; V77-L148 HydrophobicContact CG1-CD1 4.47Å; V77-L148 HydrophobicContact CG1-CG 4.28Å; V77-L148 HydrophobicContact CG2-CD2 3.88Å; V77-L148 HydrophobicContact CG2-CG 4.43Å
78I96.3Very high93.4Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-61.9-44.4173.9-69.8168.2000111V74 L75 Q76 D80 S81 L82 T102 I105 I106V74-I78 HydrophobicContact CG1-CD1 3.87Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 2.99Å; V74-I78 PolarHBondContact O-N 2.81Å; L75-I78 PolarHBondContact O-N 2.9Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.33Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 3.19Å; I78-S81 WeakPolarHBondContact O-CB 3.33Å; I78-S81 PolarHBondContact O-N 2.64Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.46Å; I78-L82 WeakPolarHBondContact O-CB 3.35Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.24Å; I78-T102 HydrophobicContact CD1-CG2 4.28Å; I78-T102 HydrophobicContact CG2-CG2 4.17Å; I78-T102 WeakPolarHBondContact CG2-OG1 3.37Å; I78-I105 HydrophobicContact CD1-CB 3.93Å; I78-I105 HydrophobicContact CD1-CG2 3.79Å; I78-I105 HydrophobicContact CG1-CB 3.93Å; I78-I105 HydrophobicContact CG1-CD1 4.16Å; I78-I105 HydrophobicContact CG1-CG2 3.58Å; I78-I106 HydrophobicContact CD1-CD1 4.39Å; I78-I106 HydrophobicContact CD1-CG1 3.7Å
79I94.3Very high92.7Very high0 Ų038.2 Ų38.20%022%0.221CC..Hα-helixtrans-64.7-40177.7-70.3165.9000111N13 I27 K29 L75 Q76 S81 L82 N83N13-I79 HydrophobicContact CB-CD1 3.5Å; I27-I79 HydrophobicContact CG2-CD1 3.7Å; I27-I79 HydrophobicContact CG2-CG1 3.92Å; K29-I79 HydrophobicContact CB-CG2 4.38Å; L75-I79 VanDerWaalsContact O-CG1 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.4Å; Q76-I79 PolarHBondContact O-N 3.02Å; I79-S81 VanDerWaalsContact C-N 3.31Å; I79-S81 PolarHBondContact O-N 2.87Å; I79-L82 PolarHBondContact O-N 2.85Å; I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 2.75Å; I79-N83 PolarHBondContact O-ND2 3.44Å
80D94.6Very high92.1Very high47 Ų4736.7 Ų36.725%0.25121%0.213SC..Hα-helixtrans-62.4-40.9175-70.6-24.6000111K29 Q76 V77 I78 N83 F84K29-D80 WeakPolarHBondContact CD-OD1 3.1Å; K29-D80 VanDerWaalsContact NZ-CG 3.29Å; K29-D80 IonicContact NZ-OD1 2.92Å; K29-D80 PolarHBondContact NZ-OD1 3.26Å; K29-D80 IonicContact NZ-OD2 3.94Å; K29-D80 PolarHBondContact NZ-OD2 2.89Å; Q76-D80 PolarHBondContact NE2-OD1 2.97Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.1Å; Q76-D80 PolarHBondContact NE2-OD2 3.41Å; Q76-D80 PolarHBondContact O-N 3.09Å; V77-D80 PolarHBondContact O-N 3.02Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 3.19Å; D80-N83 PolarHBondContact O-N 3.39Å; D80-F84 WeakPolarHBondContact O-CB 3.39Å; D80-F84 PolarHBondContact O-N 3.46Å
81S95.3Very high91.4Very high0 Ų043.4 Ų43.40%025%0.247CC..Hα-helixtrans-64.4-42174.7-58.50000112.6V77 I78 I79 F84 I85V77-S81 WeakPolarHBondContact O-CB 3.49Å; V77-S81 PolarHBondContact O-N 3Å; V77-S81 PolarHBondContact O-OG 2.89Å; I78-S81 WeakPolarHBondContact O-CB 3.33Å; I78-S81 PolarHBondContact O-N 2.64Å; I79-S81 VanDerWaalsContact C-N 3.31Å; I79-S81 PolarHBondContact O-N 2.87Å; S81-F84 WeakPolarHBondContact O-CB 3.43Å; S81-F84 PolarHBondContact O-N 3Å; S81-I85 VanDerWaalsContact O-CG1 3.3Å; S81-I85 WeakPolarHBondContact O-CG1 3.49Å; S81-I85 PolarHBondContact O-N 2.89Å
82L94.3Very high90.7Very high0 Ų039.6 Ų39.60%023%0.227CC..Hα-helixtrans-64.7-42.4175.9-77.2165000111.7Y52 I78 I79 F84 I85 S86 L97 V98 L101Y52-L82 HydrophobicContact CE2-CB 4.24Å; Y52-L82 WeakPolarHBondContact OH-CB 3.11Å; Y52-L82 PolarHBondContact OH-O 3.07Å; Y52-L82 VanDerWaalsContact OH-O 3.06Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.46Å; I78-L82 WeakPolarHBondContact O-CB 3.35Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.24Å; I79-L82 PolarHBondContact O-N 2.85Å; L82-F84 VanDerWaalsContact C-N 3.31Å; L82-I85 PolarHBondContact O-N 3.43Å; L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 3.2Å; L82-S86 PolarHBondContact O-OG 3.47Å; L82-L97 HydrophobicContact CD2-CD2 3.99Å; L82-L97 HydrophobicContact CD2-CG 3.92Å; L82-V98 HydrophobicContact CD1-CB 4.07Å; L82-V98 HydrophobicContact CD1-CG2 3.66Å; L82-V98 HydrophobicContact CD2-CB 4.47Å; L82-L101 HydrophobicContact CD2-CB 4.25Å; L82-L101 HydrophobicContact CD2-CD2 3.8Å; L82-L101 HydrophobicContact CG-CD2 4.37Å
83N92.3Very high90.2Very high12 Ų1240.2 Ų40.26%0.06423%0.231CC..Hα-helixtrans-61.3-44175.9-72.8-18000110.4K50 Y52 I79 D80 S86 N87K50-N83 WeakPolarHBondContact CB-OD1 3.41Å; Y52-N83 WeakPolarHBondContact CE2-OD1 3.21Å; Y52-N83 PolarHBondContact OH-N 3.08Å; Y52-N83 PolarHBondContact OH-OD1 2.95Å; I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 2.75Å; I79-N83 PolarHBondContact O-ND2 3.44Å; D80-N83 PolarHBondContact O-N 3.39Å; N83-S86 PolarHBondContact O-N 3.44Å; N83-N87 WeakPolarHBondContact O-CB 3.43Å; N83-N87 PolarHBondContact O-N 2.98Å; N83-N87 PolarHBondContact O-ND2 3.31Å; N83-N87 PolarHBondContact O-OD1 3.36Å
84F93.4Very high89.6Confident57 Ų5737.6 Ų37.625%0.2522%0.22CC..Hα-helixtrans-56-55.6174.1172.8-101.6000111.6D80 S81 L82 S86 N87 T88 I136 Q139 V140D80-F84 WeakPolarHBondContact O-CB 3.39Å; D80-F84 PolarHBondContact O-N 3.46Å; S81-F84 WeakPolarHBondContact O-CB 3.43Å; S81-F84 PolarHBondContact O-N 3Å; L82-F84 VanDerWaalsContact C-N 3.31Å; F84-S86 VanDerWaalsContact C-N 3.28Å; F84-S86 PolarHBondContact O-N 2.93Å; F84-N87 PolarHBondContact O-N 3.46Å; F84-N87 VanDerWaalsContact O-N 3.14Å; F84-T88 WeakPolarHBondContact O-CG2 3.4Å; F84-T88 PolarHBondContact O-N 3.24Å; F84-I136 HydrophobicContact CD1-CG2 4.41Å; F84-I136 HydrophobicContact CE1-CG2 3.94Å; F84-Q139 HydrophobicContact CE1-CB 3.69Å; F84-Q139 HydrophobicContact CZ-CB 3.75Å; F84-Q139 HydrophobicContact CZ-CG 4.35Å; F84-Q139 VanDerWaalsContact CZ-OE1 3.28Å; F84-V140 HydrophobicContact CD1-CG2 3.94Å; F84-V140 HydrophobicContact CE1-CG2 4.36Å
85I93.6Very high89Confident0 Ų041.2 Ų41.20%024%0.236CC..Hα-helixtrans-55.6-46.5178.1-65.2160.6000110.6S81 L82 N87 T88 V92 L97 L101 I136 V140 I164S81-I85 VanDerWaalsContact O-CG1 3.3Å; S81-I85 WeakPolarHBondContact O-CG1 3.49Å; S81-I85 PolarHBondContact O-N 2.89Å; L82-I85 PolarHBondContact O-N 3.43Å; I85-N87 PolarHBondContact O-N 2.86Å; I85-T88 WeakPolarHBondContact O-CB 3.3Å; I85-T88 WeakPolarHBondContact O-CG2 3.47Å; I85-T88 PolarHBondContact O-N 3.47Å; I85-T88 VanDerWaalsContact O-N 3.13Å; I85-T88 PolarHBondContact O-OG1 3.37Å; I85-V92 HydrophobicContact CG2-CG2 4.16Å; I85-L97 HydrophobicContact CB-CD2 4.41Å; I85-L97 HydrophobicContact CD1-CD2 4.21Å; I85-L97 HydrophobicContact CG2-CD2 3.73Å; I85-L101 HydrophobicContact CD1-CD2 3.36Å; I85-I136 HydrophobicContact CB-CG2 4.35Å; I85-I136 HydrophobicContact CG1-CG2 3.74Å; I85-I136 HydrophobicContact CG2-CG2 4.43Å; I85-V140 HydrophobicContact CD1-CG2 3.86Å; I85-V140 HydrophobicContact CG1-CG2 3.71Å; I85-I164 HydrophobicContact CD1-CD1 3.97Å; I85-I164 HydrophobicContact CD1-CG1 4.06Å; I85-I164 HydrophobicContact CG1-CD1 4.08Å; I85-I164 HydrophobicContact CG1-CG1 4.48Å; I85-I164 HydrophobicContact CG2-CD1 4.45Å; I85-I164 HydrophobicContact CG2-CG1 4.26Å; I85-I164 HydrophobicContact CG2-CG2 4.42Å
86S88.7Confident88.6Confident21 Ų2145.2 Ų45.215%0.14725%0.254CS..Hα-helixtrans-74.5-9-174.1-50.10000113.6K50 Y52 L82 N83 F84K50-S86 PolarHBondContact NZ-O 2.79Å; Y52-S86 PolarHBondContact OH-OG 3.24Å; L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 3.2Å; L82-S86 PolarHBondContact O-OG 3.47Å; N83-S86 PolarHBondContact O-N 3.44Å; F84-S86 VanDerWaalsContact C-N 3.28Å; F84-S86 PolarHBondContact O-N 2.93Å
87N87.8Confident88.5Confident106 Ų10643.5 Ų43.557%0.56725%0.246SC*.THydrogen-bonded Turntrans-99.1-0.9174.5-70-11000112.1K50 N83 F84 I85K50-N87 PolarHBondContact NZ-OD1 2.98Å; N83-N87 WeakPolarHBondContact O-CB 3.43Å; N83-N87 PolarHBondContact O-N 2.98Å; N83-N87 PolarHBondContact O-ND2 3.31Å; N83-N87 PolarHBondContact O-OD1 3.36Å; F84-N87 PolarHBondContact O-N 3.46Å; F84-N87 VanDerWaalsContact O-N 3.14Å; I85-N87 PolarHBondContact O-N 2.86Å
88T88.7Confident88.4Confident37 Ų3743 Ų4323%0.22724%0.243CC..SBendtrans-75.3171.8170.471.80000111.1F84 I85 M90 I136F84-T88 WeakPolarHBondContact O-CG2 3.4Å; F84-T88 PolarHBondContact O-N 3.24Å; I85-T88 WeakPolarHBondContact O-CB 3.3Å; I85-T88 WeakPolarHBondContact O-CG2 3.47Å; I85-T88 PolarHBondContact O-N 3.47Å; I85-T88 VanDerWaalsContact O-N 3.13Å; I85-T88 PolarHBondContact O-OG1 3.37Å; T88-M90 PolarHBondContact O-N 2.93Å; T88-M90 PolarHBondContact OG1-N 3.25Å; T88-I136 HydrophobicContact CG2-CD1 3.82Å; T88-I136 HydrophobicContact CG2-CG1 4.01Å; T88-I136 HydrophobicContact CG2-CG2 4.33Å
89A79.5Confident88.3Confident114 Ų11443.4 Ų43.494%0.94225%0.245SC*.SBendtrans-71.6-3.717600000113.9
90M80.2Confident88.2Confident43 Ų4344.2 Ų44.221%0.21225%0.251CS..  trans-73.4130.9179.7-64.8-166.585.400111.2T88 V92 A133 I136 I164 T168T88-M90 PolarHBondContact O-N 2.93Å; T88-M90 PolarHBondContact OG1-N 3.25Å; M90-V92 VanDerWaalsContact C-N 3.34Å; M90-V92 HydrophobicContact CB-CG2 3.77Å; M90-V92 PolarHBondContact O-N 3.39Å; M90-A133 HydrophobicContact CE-CB 4.22Å; M90-I136 HydrophobicContact CG-CD1 3.74Å; M90-I136 HydrophobicContact SD-CD1 3.32Å; M90-I136 WeakPolarHBondContact SD-CD1 3.49Å; M90-I164 HydrophobicContact CE-CG2 4.09Å; M90-I164 HydrophobicContact SD-CG2 3.67Å; M90-T168 HydrophobicContact CB-CG2 4.25Å; M90-T168 HydrophobicContact CE-CG2 3.68Å
91N79.4Confident88.3Confident153 Ų15342 Ų4282%0.81824%0.239SC*.  trans-82.380173.9-17235.7000110.4
92V78.1Confident88.3Confident20 Ų2042 Ų4212%0.12124%0.239CC..  trans-90.1137.6-176.1-172.20000111.3I85 M90 S94 L97 N167 T168I85-V92 HydrophobicContact CG2-CG2 4.16Å; M90-V92 VanDerWaalsContact C-N 3.34Å; M90-V92 HydrophobicContact CB-CG2 3.77Å; M90-V92 PolarHBondContact O-N 3.39Å; V92-S94 VanDerWaalsContact C-N 3.31Å; V92-S94 PolarHBondContact O-N 2.87Å; V92-L97 HydrophobicContact CG1-CB 3.92Å; V92-L97 HydrophobicContact CG1-CD2 3.62Å; V92-L97 HydrophobicContact CG1-CG 4.25Å; V92-N167 WeakPolarHBondContact CA-O 3.4Å; V92-N167 HydrophobicContact CG1-CB 3.69Å; V92-T168 HydrophobicContact CB-CG2 4.08Å; V92-T168 HydrophobicContact CG1-CG2 4.36Å; V92-T168 HydrophobicContact CG2-CG2 3.53Å
93D80.8Confident88.4Confident86 Ų8644.2 Ų44.246%0.4625%0.251SS..  trans-67.392.1161.6-173.2-14.1000110.4K95 Q96 L97 N167D93-K95 PolarHBondContact O-N 3.31Å; D93-K95 PolarHBondContact OD1-N 3.2Å; D93-Q96 PolarHBondContact O-N 3.06Å; D93-Q96 PolarHBondContact OD1-N 3.29Å; D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 PolarHBondContact O-N 3.01Å; D93-N167 PolarHBondContact N-O 3.01Å
94S81.1Confident88.6Confident45 Ų4544.8 Ų44.832%0.31525%0.254SS..Hα-helixtrans-57.7-28.6-17961.70000114.4V92 V98V92-S94 VanDerWaalsContact C-N 3.31Å; V92-S94 PolarHBondContact O-N 2.87Å; S94-V98 WeakPolarHBondContact O-CB 3.35Å; S94-V98 VanDerWaalsContact O-CG1 3.29Å; S94-V98 WeakPolarHBondContact O-CG1 3.39Å; S94-V98 PolarHBondContact O-N 2.93Å; S94-V98 VanDerWaalsContact O-N 3.09Å
95K83.2Confident88.8Confident79 Ų7942.1 Ų42.134%0.34324%0.242SC..Hα-helixtrans-75.9-42.1-176.4-66.2-174.8-179.5-179.40111.5E55 D93 V98E55-K95 IonicContact OE2-NZ 3.79Å; E55-K95 PolarHBondContact OE2-NZ 3.36Å; D93-K95 PolarHBondContact O-N 3.31Å; D93-K95 PolarHBondContact OD1-N 3.2Å; K95-V98 WeakPolarHBondContact O-CG1 3.31Å
96Q87.3Confident89Confident83 Ų8342.2 Ų42.239%0.38824%0.242SC..Hα-helixtrans-79.7-34.2178.3-177.862.124.100111.3D93 V99 S100 N167D93-Q96 PolarHBondContact O-N 3.06Å; D93-Q96 PolarHBondContact OD1-N 3.29Å; Q96-V99 PolarHBondContact O-N 2.98Å; Q96-S100 WeakPolarHBondContact O-CB 3.4Å; Q96-S100 PolarHBondContact O-N 3Å; Q96-S100 VanDerWaalsContact O-N 3.08Å; Q96-S100 PolarHBondContact O-OG 3.36Å; Q96-N167 WeakPolarHBondContact CB-OD1 3.4Å; Q96-N167 WeakPolarHBondContact CG-OD1 3.39Å
97L92.5Very high89.4Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-63.5-45.5174.9-175.269000111.7L82 I85 V92 D93 V99 S100 L101 H163 N167L82-L97 HydrophobicContact CD2-CD2 3.99Å; L82-L97 HydrophobicContact CD2-CG 3.92Å; I85-L97 HydrophobicContact CB-CD2 4.41Å; I85-L97 HydrophobicContact CD1-CD2 4.21Å; I85-L97 HydrophobicContact CG2-CD2 3.73Å; V92-L97 HydrophobicContact CG1-CB 3.92Å; V92-L97 HydrophobicContact CG1-CD2 3.62Å; V92-L97 HydrophobicContact CG1-CG 4.25Å; D93-L97 WeakPolarHBondContact O-CB 3.41Å; D93-L97 PolarHBondContact O-N 3.01Å; L97-V99 VanDerWaalsContact C-N 3.25Å; L97-V99 PolarHBondContact O-N 2.93Å; L97-S100 PolarHBondContact O-N 3.5Å; L97-S100 PolarHBondContact O-OG 3.42Å; L97-L101 HydrophobicContact CD1-CB 3.98Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å; L97-L101 HydrophobicContact CG-CB 4.27Å; L97-L101 HydrophobicContact CG-CD2 4.44Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 2.97Å; L97-H163 HydrophobicContact CD1-CB 4.36Å; L97-N167 HydrophobicContact CB-CB 4.2Å; L97-N167 HydrophobicContact CD1-CB 4.5Å; L97-N167 PolarHBondContact N-OD1 3.44Å
98V94Very high89.8Confident0 Ų040.7 Ų40.70%023%0.228CC..Hα-helixtrans-56.9-41.1-17861.90000111.7I27 Y52 L54 Y63 L82 S94 K95 T102I27-V98 HydrophobicContact CD1-CG1 4.49Å; I27-V98 HydrophobicContact CD1-CG2 3.77Å; I27-V98 HydrophobicContact CG2-CG2 4.46Å; Y52-V98 HydrophobicContact CD1-CB 3.94Å; Y52-V98 HydrophobicContact CD1-CG1 4.25Å; Y52-V98 HydrophobicContact CD1-CG2 4.43Å; Y52-V98 HydrophobicContact CD2-CG2 4.39Å; Y52-V98 HydrophobicContact CG-CB 4.07Å; Y52-V98 HydrophobicContact CG-CG1 4.33Å; Y52-V98 HydrophobicContact CG-CG2 4.08Å; L54-V98 HydrophobicContact CD2-CG1 3.81Å; Y63-V98 HydrophobicContact CE2-CG2 3.9Å; L82-V98 HydrophobicContact CD1-CB 4.07Å; L82-V98 HydrophobicContact CD1-CG2 3.66Å; L82-V98 HydrophobicContact CD2-CB 4.47Å; S94-V98 WeakPolarHBondContact O-CB 3.35Å; S94-V98 VanDerWaalsContact O-CG1 3.29Å; S94-V98 WeakPolarHBondContact O-CG1 3.39Å; S94-V98 PolarHBondContact O-N 2.93Å; S94-V98 VanDerWaalsContact O-N 3.09Å; K95-V98 WeakPolarHBondContact O-CG1 3.31Å; V98-T102 WeakPolarHBondContact O-CB 3.33Å; V98-T102 PolarHBondContact O-N 3.34Å; V98-T102 PolarHBondContact O-OG1 3.35Å
99V94.2Very high90.2Very high8 Ų840 Ų405%0.04822%0.222CC..Hα-helixtrans-71-55.4179.1-179.40000110.5L54 Q59 Y63 Q96 L97 L101 T102 D103L54-V99 HydrophobicContact CD1-CG2 3.85Å; L54-V99 HydrophobicContact CD2-CG2 3.77Å; L54-V99 HydrophobicContact CG-CG2 4.49Å; Q59-V99 HydrophobicContact CB-CG2 4.11Å; Q59-V99 HydrophobicContact CG-CG2 4.2Å; Y63-V99 HydrophobicContact CD2-CG2 4.21Å; Q96-V99 PolarHBondContact O-N 2.98Å; L97-V99 VanDerWaalsContact C-N 3.25Å; L97-V99 PolarHBondContact O-N 2.93Å; V99-L101 PolarHBondContact O-N 3.19Å; V99-T102 PolarHBondContact O-N 3.19Å; V99-D103 WeakPolarHBondContact O-CB 3.46Å; V99-D103 PolarHBondContact O-N 2.93Å
100S93.5Very high91Very high18 Ų1837.7 Ų37.713%0.12619%0.19CC..Hα-helixtrans-66.9-37.8-17259.90000113.8Q96 L97 H104 H163Q96-S100 WeakPolarHBondContact O-CB 3.4Å; Q96-S100 PolarHBondContact O-N 3Å; Q96-S100 VanDerWaalsContact O-N 3.08Å; Q96-S100 PolarHBondContact O-OG 3.36Å; L97-S100 PolarHBondContact O-N 3.5Å; L97-S100 PolarHBondContact O-OG 3.42Å; S100-H104 PolarHBondContact O-N 3.28Å; S100-H104 VanDerWaalsContact O-N 3.13Å; S100-H163 PolarHBondContact O-CE1 2.73Å
101L95.6Very high91.8Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-77-35.4178.5-172.663.5000112L82 I85 L97 V99 H104 I105 I160 H163L82-L101 HydrophobicContact CD2-CB 4.25Å; L82-L101 HydrophobicContact CD2-CD2 3.8Å; L82-L101 HydrophobicContact CG-CD2 4.37Å; I85-L101 HydrophobicContact CD1-CD2 3.36Å; L97-L101 HydrophobicContact CD1-CB 3.98Å; L97-L101 HydrophobicContact CD1-CD2 4.31Å; L97-L101 HydrophobicContact CG-CB 4.27Å; L97-L101 HydrophobicContact CG-CD2 4.44Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.4Å; L97-L101 PolarHBondContact O-N 2.97Å; V99-L101 PolarHBondContact O-N 3.19Å; L101-H104 PolarHBondContact O-N 3.43Å; L101-I105 HydrophobicContact CD1-CD1 3.95Å; L101-I105 HydrophobicContact CD1-CG1 4.14Å; L101-I105 HydrophobicContact CD2-CD1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.74Å; L101-I105 HydrophobicContact CG-CG1 4.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.49Å; L101-I105 PolarHBondContact O-N 2.87Å; L101-I160 HydrophobicContact CD1-CB 4.39Å; L101-I160 HydrophobicContact CD1-CG1 4.04Å; L101-I160 HydrophobicContact CD1-CG2 4Å; L101-H163 HydrophobicContact CD1-CB 4.13Å
102T96.7Very high92.7Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-62.1-46.2174-61.50000110.6Y63 L66 L75 I78 V98 V99 I105 I106Y63-T102 HydrophobicContact CE2-CG2 3.76Å; L66-T102 HydrophobicContact CD1-CG2 4.17Å; L75-T102 HydrophobicContact CD2-CG2 4.04Å; I78-T102 HydrophobicContact CD1-CG2 4.28Å; I78-T102 HydrophobicContact CG2-CG2 4.17Å; I78-T102 WeakPolarHBondContact CG2-OG1 3.37Å; V98-T102 WeakPolarHBondContact O-CB 3.33Å; V98-T102 PolarHBondContact O-N 3.34Å; V98-T102 PolarHBondContact O-OG1 3.35Å; V99-T102 PolarHBondContact O-N 3.19Å; T102-I105 PolarHBondContact O-N 2.92Å; T102-I106 HydrophobicContact CG2-CD1 3.54Å; T102-I106 HydrophobicContact CG2-CG1 4.36Å; T102-I106 WeakPolarHBondContact O-CB 3.37Å; T102-I106 WeakPolarHBondContact O-CD1 3.49Å; T102-I106 VanDerWaalsContact O-CG1 3.25Å; T102-I106 WeakPolarHBondContact O-CG1 3.5Å; T102-I106 PolarHBondContact O-N 3.27Å
103D96.4Very high93.5Very high47 Ų4735.5 Ų35.525%0.25117%0.17SC..Hα-helixtrans-53.7-56.8174.4-173.540000111H62 L66 V99 I105 I106 F107H62-D103 IonicContact CE1-OD1 2.65Å; H62-D103 IonicContact NE2-OD1 2.67Å; H62-D103 IonicContact NE2-OD2 2.61Å; L66-D103 HydrophobicContact CD1-CB 3.87Å; L66-D103 HydrophobicContact CD2-CB 4.33Å; L66-D103 WeakPolarHBondContact CD2-OD1 3.38Å; V99-D103 WeakPolarHBondContact O-CB 3.46Å; V99-D103 PolarHBondContact O-N 2.93Å; D103-I105 PolarHBondContact O-N 2.74Å; D103-I106 PolarHBondContact O-N 3.45Å; D103-F107 VanDerWaalsContact O-CD2 3.26Å; D103-F107 WeakPolarHBondContact O-CD2 3.4Å; D103-F107 PolarHBondContact O-N 3.13Å; D103-F107 WeakPolarHBondContact OD1-CD2 3.33Å; D103-F107 WeakPolarHBondContact OD1-CE2 3.48Å
104H96.2Very high94.2Very high24 Ų2437.4 Ų37.411%0.11118%0.176CC..Hα-helixtrans-55.3-50.6-179.9-179.175000113S100 L101 F107 A108 E156 F159 H163S100-H104 PolarHBondContact O-N 3.28Å; S100-H104 VanDerWaalsContact O-N 3.13Å; L101-H104 PolarHBondContact O-N 3.43Å; H104-F107 PolarHBondContact O-N 3.41Å; H104-A108 VanDerWaalsContact O-CB 3.28Å; H104-A108 WeakPolarHBondContact O-CB 3.46Å; H104-A108 PolarHBondContact O-N 3.28Å; H104-E156 IonicContact CD2-OE2 2.96Å; H104-E156 IonicContact CE1-OE2 3.58Å; H104-E156 PolarHBondContact CE1-OE2 3.23Å; H104-E156 VanDerWaalsContact CE1-OE2 3.27Å; H104-E156 IonicContact NE2-OE2 3.58Å; H104-E156 PolarHBondContact NE2-OE2 3.4Å; H104-F159 VanDerWaalsContact CE1-CB 3.46Å; H104-F159 WeakPolarHBondContact CE1-CB 3.45Å; H104-F159 AromaticContact CE1-CG 3.99Å; H104-H163 AromaticContact CG-CD2 3.85Å; H104-H163 AromaticContact CG-NE2 3.62Å; H104-H163 AromaticContact ND1-NE2 3.73Å
105I97.5Very high94.9Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-67.2-40.1-176.3-64.7170000111.3I78 L101 T102 D103 F107 A108 Y109 L144 F152 I160I78-I105 HydrophobicContact CD1-CB 3.93Å; I78-I105 HydrophobicContact CD1-CG2 3.79Å; I78-I105 HydrophobicContact CG1-CB 3.93Å; I78-I105 HydrophobicContact CG1-CD1 4.16Å; I78-I105 HydrophobicContact CG1-CG2 3.58Å; L101-I105 HydrophobicContact CD1-CD1 3.95Å; L101-I105 HydrophobicContact CD1-CG1 4.14Å; L101-I105 HydrophobicContact CD2-CD1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.74Å; L101-I105 HydrophobicContact CG-CG1 4.31Å; L101-I105 WeakPolarHBondContact O-CG1 3.49Å; L101-I105 PolarHBondContact O-N 2.87Å; T102-I105 PolarHBondContact O-N 2.92Å; D103-I105 PolarHBondContact O-N 2.74Å; I105-F107 VanDerWaalsContact C-N 3.33Å; I105-F107 PolarHBondContact O-N 2.59Å; I105-A108 PolarHBondContact O-N 3.4Å; I105-Y109 VanDerWaalsContact O-CB 3.23Å; I105-Y109 WeakPolarHBondContact O-CB 3.25Å; I105-Y109 PolarHBondContact O-N 2.86Å; I105-L144 HydrophobicContact CD1-CD1 4.13Å; I105-L144 HydrophobicContact CD1-CD2 4.43Å; I105-L144 HydrophobicContact CG1-CD1 4.35Å; I105-L144 HydrophobicContact CG2-CD1 4.3Å; I105-L144 HydrophobicContact CG2-CD2 3.79Å; I105-F152 HydrophobicContact CG2-CE1 4.38Å; I105-F152 HydrophobicContact CG2-CZ 4.22Å; I105-I160 HydrophobicContact CG1-CD1 4.41Å
106I97.3Very high95.5Very high2 Ų243.3 Ų43.31%0.0121%0.205CC..Hα-helixtrans-60.2-46.3176.2-72165.7000110.3L66 I69 A70 L75 I78 T102 D103 K110L66-I106 HydrophobicContact CB-CD1 3.82Å; L66-I106 HydrophobicContact CD2-CD1 4.22Å; L66-I106 HydrophobicContact CG-CD1 4.46Å; I69-I106 HydrophobicContact CD1-CG2 4.35Å; I69-I106 HydrophobicContact CG1-CG2 4.35Å; A70-I106 HydrophobicContact CB-CD1 3.64Å; A70-I106 HydrophobicContact CB-CG1 3.87Å; A70-I106 HydrophobicContact CB-CG2 4.3Å; L75-I106 HydrophobicContact CD2-CD1 4.05Å; I78-I106 HydrophobicContact CD1-CD1 4.39Å; I78-I106 HydrophobicContact CD1-CG1 3.7Å; T102-I106 HydrophobicContact CG2-CD1 3.54Å; T102-I106 HydrophobicContact CG2-CG1 4.36Å; T102-I106 WeakPolarHBondContact O-CB 3.37Å; T102-I106 WeakPolarHBondContact O-CD1 3.49Å; T102-I106 VanDerWaalsContact O-CG1 3.25Å; T102-I106 WeakPolarHBondContact O-CG1 3.5Å; T102-I106 PolarHBondContact O-N 3.27Å; D103-I106 PolarHBondContact O-N 3.45Å; I106-K110 HydrophobicContact CG2-CD 4.29Å; I106-K110 WeakPolarHBondContact O-CG 3.44Å; I106-K110 PolarHBondContact O-N 3.24Å
107F96.8Very high95.7Very high96 Ų9644 Ų4442%0.42121%0.214SC..Hα-helixtrans-69.1-42.4179.6-81.8-70.7000112.3L66 I69 D103 H104 I105 Y109 K110 R111L66-F107 HydrophobicContact CD2-CE2 4.3Å; I69-F107 HydrophobicContact CD1-CZ 4.5Å; D103-F107 VanDerWaalsContact O-CD2 3.26Å; D103-F107 WeakPolarHBondContact O-CD2 3.4Å; D103-F107 PolarHBondContact O-N 3.13Å; D103-F107 WeakPolarHBondContact OD1-CD2 3.33Å; D103-F107 WeakPolarHBondContact OD1-CE2 3.48Å; H104-F107 PolarHBondContact O-N 3.41Å; I105-F107 VanDerWaalsContact C-N 3.33Å; I105-F107 PolarHBondContact O-N 2.59Å; F107-Y109 PolarHBondContact O-N 3.46Å; F107-K110 PolarHBondContact O-N 3.5Å; F107-R111 WeakPolarHBondContact O-CG 3.5Å; F107-R111 PolarHBondContact O-N 2.96Å
108A97.2Very high95.7Very high0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-58.7-47.5174.200000111.4H104 I105 K110 R111 L112 F152H104-A108 VanDerWaalsContact O-CB 3.28Å; H104-A108 WeakPolarHBondContact O-CB 3.46Å; H104-A108 PolarHBondContact O-N 3.28Å; I105-A108 PolarHBondContact O-N 3.4Å; A108-K110 PolarHBondContact O-N 2.94Å; A108-R111 PolarHBondContact O-N 2.96Å; A108-L112 VanDerWaalsContact O-CG 3.27Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.5Å; A108-F152 HydrophobicContact CB-CD1 4.38Å; A108-F152 HydrophobicContact CB-CE1 3.81Å
109Y97.5Very high95.6Very high22 Ų2251.3 Ų51.39%0.08626%0.259CS..Hα-helixtrans-56.4-47.3174.9175.7-104.1000112.1V74 I105 F107 R111 L112 K113 L148 D149 V150V74-Y109 HydrophobicContact CG1-CD1 4.39Å; V74-Y109 HydrophobicContact CG1-CG 4.49Å; V74-Y109 HydrophobicContact CG2-CD1 3.96Å; V74-Y109 HydrophobicContact CG2-CE1 3.57Å; V74-Y109 HydrophobicContact CG2-CE2 4.21Å; V74-Y109 HydrophobicContact CG2-CG 4.41Å; I105-Y109 VanDerWaalsContact O-CB 3.23Å; I105-Y109 WeakPolarHBondContact O-CB 3.25Å; I105-Y109 PolarHBondContact O-N 2.86Å; F107-Y109 PolarHBondContact O-N 3.46Å; Y109-R111 PolarHBondContact O-N 2.84Å; Y109-L112 PolarHBondContact O-N 3.13Å; Y109-K113 HydrophobicContact CD1-CG 4.49Å; Y109-K113 HydrophobicContact CE1-CG 4.14Å; Y109-K113 HydrophobicContact CE2-CG 4.4Å; Y109-K113 WeakPolarHBondContact O-CG 3.4Å; Y109-K113 PolarHBondContact O-N 3.14Å; Y109-K113 WeakPolarHBondContact OH-CE 3.33Å; Y109-L148 HydrophobicContact CD2-CB 4.46Å; Y109-L148 HydrophobicContact CD2-CD1 4.05Å; Y109-L148 HydrophobicContact CE2-CB 4.22Å; Y109-L148 HydrophobicContact CE2-CD1 4.45Å; Y109-D149 WeakPolarHBondContact CE2-OD1 3.46Å; Y109-D149 PolarHBondContact OH-OD1 2.65Å; Y109-D149 VanDerWaalsContact OH-OD1 3.07Å; Y109-V150 HydrophobicContact CD2-CB 4.48Å; Y109-V150 HydrophobicContact CD2-CG1 4.17Å; Y109-V150 HydrophobicContact CD2-CG2 3.47Å; Y109-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y109-V150 HydrophobicContact CE2-CG1 3.95Å; Y109-V150 HydrophobicContact CE2-CG2 3.87Å
110K96.3Very high95.5Very high65 Ų6551.2 Ų51.228%0.28326%0.259SS..Hα-helixtrans-63-40.2177.9-76.1-179.3179.3-174.50113.3I69 I106 F107 A108 K113 Q114I69-K110 VanDerWaalsContact CB-NZ 3.26Å; I69-K110 VanDerWaalsContact CG1-NZ 3.31Å; I69-K110 WeakPolarHBondContact O-CE 3.38Å; I69-K110 PolarHBondContact O-NZ 3.17Å; I106-K110 HydrophobicContact CG2-CD 4.29Å; I106-K110 WeakPolarHBondContact O-CG 3.44Å; I106-K110 PolarHBondContact O-N 3.24Å; F107-K110 PolarHBondContact O-N 3.5Å; A108-K110 PolarHBondContact O-N 2.94Å; K110-K113 WeakPolarHBondContact O-CB 3.47Å; K110-K113 PolarHBondContact O-N 3.48Å; K110-Q114 WeakPolarHBondContact O-CG 3.44Å; K110-Q114 PolarHBondContact O-N 3.42Å
111R96.5Very high95.3Very high57 Ų5753.3 Ų53.322%0.21527%0.272CS..Hα-helixtrans-62.5-46.1174.5-71.6-174-48.2-146.96.9111F107 A108 Y109 K113 Q114 N115 Q116 I118 E156F107-R111 WeakPolarHBondContact O-CG 3.5Å; F107-R111 PolarHBondContact O-N 2.96Å; A108-R111 PolarHBondContact O-N 2.96Å; Y109-R111 PolarHBondContact O-N 2.84Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 3.24Å; R111-Q114 CarbonylContact O-C 3.58Å; R111-Q114 WeakPolarHBondContact O-CA 3.39Å; R111-Q114 WeakPolarHBondContact O-CB 3.37Å; R111-Q114 PolarHBondContact O-N 2.87Å; R111-N115 PolarHBondContact O-N 2.67Å; R111-Q116 CarbonylContact C-O 3.34Å; R111-Q116 HydrophobicContact CB-CB 4.07Å; R111-Q116 WeakPolarHBondContact O-CB 3.35Å; R111-Q116 PolarHBondContact O-N 2.79Å; R111-I118 VanDerWaalsContact CZ-CD1 3.45Å; R111-E156 IonicContact CZ-OE1 3.81Å; R111-E156 IonicContact NH2-OE1 3.2Å; R111-E156 PolarHBondContact NH2-OE1 3.37Å
112L97.2Very high95Very high16 Ų1654.5 Ų54.58%0.08428%0.277CS..Hα-helixtrans-65.3-36.8-179.6-67.3170.2000112A108 Y109 Q114 N115 V117 V150 F152A108-L112 VanDerWaalsContact O-CG 3.27Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 3.5Å; Y109-L112 PolarHBondContact O-N 3.13Å; L112-Q114 PolarHBondContact O-N 2.83Å; L112-N115 WeakPolarHBondContact O-CA 3.5Å; L112-N115 PolarHBondContact O-N 2.9Å; L112-V117 HydrophobicContact CD2-CG2 4.19Å; L112-V150 HydrophobicContact CB-CB 3.99Å; L112-V150 HydrophobicContact CB-CG1 4.25Å; L112-V150 HydrophobicContact CB-CG2 4.13Å; L112-V150 HydrophobicContact CD1-CG2 4.08Å; L112-F152 HydrophobicContact CD1-CB 4.25Å; L112-F152 HydrophobicContact CD1-CD1 3.71Å; L112-F152 HydrophobicContact CD1-CD2 4.02Å; L112-F152 HydrophobicContact CD1-CE1 4Å; L112-F152 HydrophobicContact CD1-CE2 4.28Å; L112-F152 HydrophobicContact CD1-CG 3.72Å; L112-F152 HydrophobicContact CD1-CZ 4.27Å
113K96.3Very high94.8Very high98 Ų9855.6 Ų55.643%0.42628%0.283SS..Hα-helixtrans-56.9-28.8168.8-80.6-64.6-158.6179.60113.6Y109 K110 R111 D149 V150Y109-K113 HydrophobicContact CD1-CG 4.49Å; Y109-K113 HydrophobicContact CE1-CG 4.14Å; Y109-K113 HydrophobicContact CE2-CG 4.4Å; Y109-K113 WeakPolarHBondContact O-CG 3.4Å; Y109-K113 PolarHBondContact O-N 3.14Å; Y109-K113 WeakPolarHBondContact OH-CE 3.33Å; K110-K113 WeakPolarHBondContact O-CB 3.47Å; K110-K113 PolarHBondContact O-N 3.48Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 3.24Å; K113-D149 WeakPolarHBondContact CE-OD1 3.34Å; K113-D149 IonicContact NZ-OD1 2.57Å; K113-D149 PolarHBondContact NZ-OD1 2.92Å; K113-D149 IonicContact NZ-OD2 3.27Å; K113-D149 PolarHBondContact NZ-OD2 3.32Å; K113-V150 HydrophobicContact CD-CG1 3.71Å; K113-V150 HydrophobicContact CG-CG1 3.88Å
114Q96Very high94.5Very high125 Ų12556.1 Ų56.158%0.58429%0.285SS*.THydrogen-bonded Turntrans-9510.9176.4-62.4174.36.800112.6K110 R111 L112 Q116K110-Q114 WeakPolarHBondContact O-CG 3.44Å; K110-Q114 PolarHBondContact O-N 3.42Å; R111-Q114 CarbonylContact O-C 3.58Å; R111-Q114 WeakPolarHBondContact O-CA 3.39Å; R111-Q114 WeakPolarHBondContact O-CB 3.37Å; R111-Q114 PolarHBondContact O-N 2.87Å; L112-Q114 PolarHBondContact O-N 2.83Å; Q114-Q116 HydrophobicContact CB-CG 4.22Å; Q114-Q116 PolarHBondContact O-N 3.2Å
115N94.3Very high94.3Very high149 Ų14955.2 Ų55.280%0.79728%0.281SS*.THydrogen-bonded Turntrans55.929.6-174.8-57.1-63.9000113.8R111 L112R111-N115 PolarHBondContact O-N 2.67Å; L112-N115 WeakPolarHBondContact O-CA 3.5Å; L112-N115 PolarHBondContact O-N 2.9Å
116Q95.3Very high94.1Very high100 Ų10055.2 Ų55.247%0.46728%0.281SS..  trans-96115.7175.1-64.9177.3100109.5R111 Q114R111-Q116 CarbonylContact C-O 3.34Å; R111-Q116 HydrophobicContact CB-CB 4.07Å; R111-Q116 WeakPolarHBondContact O-CB 3.35Å; R111-Q116 PolarHBondContact O-N 2.79Å; Q114-Q116 HydrophobicContact CB-CG 4.22Å; Q114-Q116 PolarHBondContact O-N 3.2Å
117V92.8Very high93.8Very high96 Ų9657.4 Ų57.458%0.58229%0.292SS*.  trans-107.2137.1176.4176.20000109L112 P153L112-V117 HydrophobicContact CD2-CG2 4.19Å; V117-P153 HydrophobicContact CG1-CG 4.09Å
118I91.8Very high93.5Very high68 Ų6854 Ų5435%0.34928%0.277SS..  trans-112.5129.7175.3-58.3-161.1000108.7R111 D155 F159R111-I118 VanDerWaalsContact CZ-CD1 3.45Å; I118-D155 WeakPolarHBondContact O-CB 3.18Å; I118-F159 HydrophobicContact CG2-CE2 4.23Å; I118-F159 HydrophobicContact CG2-CZ 4.18Å
119S92.5Very high93.2Very high87 Ų8755 Ų5561%0.60828%0.282SS*.  trans-83.1138.7172.9-178.90000111.1P121 D155S119-P121 WeakPolarHBondContact O-CD 3.46Å; S119-D155 WeakPolarHBondContact CA-OD1 3.48Å; S119-D155 PolarHBondContact OG-OD1 2.89Å
120N92Very high92.9Very high6 Ų654.4 Ų54.43%0.03228%0.28CS..  trans-97.1109.7171.8-175.5-18.7000109.1F122 V123 D155 G158 F159N120-F122 PolarHBondContact O-N 3.05Å; N120-F122 VanDerWaalsContact O-N 3.14Å; N120-F122 WeakPolarHBondContact OD1-CA 3.26Å; N120-F122 PolarHBondContact OD1-N 3.35Å; N120-V123 HydrophobicContact CB-CG2 3.71Å; N120-V123 WeakPolarHBondContact O-CG2 3.5Å; N120-D155 HydrophobicContact CB-CB 3.82Å; N120-D155 PolarHBondContact N-OD1 3.4Å; N120-D155 PolarHBondContact ND2-O 3.46Å; N120-G158 WeakPolarHBondContact ND2-CA 3.42Å; N120-F159 HydrophobicContact CB-CD2 4.37Å; N120-F159 HydrophobicContact CB-CE1 4.19Å; N120-F159 HydrophobicContact CB-CE2 3.77Å; N120-F159 HydrophobicContact CB-CZ 3.66Å; N120-F159 PolarHBondContact ND2-N 2.88Å
121P89.1Confident92.8Very high61 Ų6153.3 Ų53.340%0.39628%0.281SS..THydrogen-bonded Turntrans-75.1-0.1-178.231-35000113.9S119S119-P121 WeakPolarHBondContact O-CD 3.46Å
122F90.3Very high92.6Very high25 Ų2555.6 Ų55.611%0.1130%0.297CS..THydrogen-bonded Turntrans-125.820.6-169.8-50.2-54.4000113.7N120 M124 E125 T126 T177 N180 N181 K184N120-F122 PolarHBondContact O-N 3.05Å; N120-F122 VanDerWaalsContact O-N 3.14Å; N120-F122 WeakPolarHBondContact OD1-CA 3.26Å; N120-F122 PolarHBondContact OD1-N 3.35Å; F122-M124 VanDerWaalsContact C-N 3.31Å; F122-M124 PolarHBondContact O-N 3.47Å; F122-E125 VanDerWaalsContact CA-OE2 3.31Å; F122-E125 WeakPolarHBondContact CA-OE2 3.48Å; F122-E125 PolarHBondContact O-N 3.31Å; F122-T126 VanDerWaalsContact O-CB 3.27Å; F122-T126 WeakPolarHBondContact O-CB 3.37Å; F122-T126 PolarHBondContact O-N 3.34Å; F122-T126 PolarHBondContact O-OG1 3.48Å; F122-T177 HydrophobicContact CE2-CG2 3.99Å; F122-N180 HydrophobicContact CB-CB 3.84Å; F122-N180 HydrophobicContact CD1-CB 3.72Å; F122-N180 HydrophobicContact CD2-CB 4.09Å; F122-N180 HydrophobicContact CE1-CB 4.28Å; F122-N180 HydrophobicContact CG-CB 3.62Å; F122-N181 HydrophobicContact CE1-CB 4.2Å; F122-N181 HydrophobicContact CZ-CB 3.95Å; F122-K184 HydrophobicContact CD1-CD 4.35Å; F122-K184 HydrophobicContact CE1-CB 4.29Å; F122-K184 HydrophobicContact CE1-CD 3.98Å
123V91.7Very high92.5Very high23 Ų2355 Ų5514%0.13929%0.294CS..Hα-helixtrans-57.8-44.7-176.9178.60000111.2N120 T126 M127 Y134N120-V123 HydrophobicContact CB-CG2 3.71Å; N120-V123 WeakPolarHBondContact O-CG2 3.5Å; V123-T126 PolarHBondContact O-N 3.11Å; V123-M127 VanDerWaalsContact O-CB 3.27Å; V123-M127 WeakPolarHBondContact O-CB 3.25Å; V123-M127 PolarHBondContact O-N 3.38Å; V123-Y134 HydrophobicContact CG1-CE2 3.89Å; V123-Y134 WeakPolarHBondContact CG1-OH 3.24Å
124M90.5Very high92.5Very high59 Ų5951.3 Ų51.329%0.29128%0.278SS..Hα-helixtrans-66.3-47.5-179.4-67.2-61.699.300111.9F122 T126 M127 Q128 K200F122-M124 VanDerWaalsContact C-N 3.31Å; F122-M124 PolarHBondContact O-N 3.47Å; M124-T126 VanDerWaalsContact C-N 3.3Å; M124-T126 PolarHBondContact O-N 3.26Å; M124-M127 HydrophobicContact CE-CE 3.9Å; M124-M127 HydrophobicContact CE-SD 4.43Å; M124-M127 PolarHBondContact O-N 3.31Å; M124-M127 HydrophobicContact SD-CE 3.85Å; M124-Q128 WeakPolarHBondContact O-CB 3.35Å; M124-Q128 WeakPolarHBondContact O-CG 3.47Å; M124-Q128 PolarHBondContact O-N 2.96Å; M124-K200 HydrophobicContact CG-CD 4.45Å
125E92Very high92.5Very high4 Ų450.7 Ų50.72%0.01928%0.275CS..Hα-helixtrans-59-44.8177.1-68.273.1-167.200110.7F122 Q128 L129 N180 I183 Y205F122-E125 VanDerWaalsContact CA-OE2 3.31Å; F122-E125 WeakPolarHBondContact CA-OE2 3.48Å; F122-E125 PolarHBondContact O-N 3.31Å; E125-Q128 PolarHBondContact O-N 2.87Å; E125-L129 VanDerWaalsContact O-CB 3.31Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 3.33Å; E125-N180 HydrophobicContact CB-CB 4.28Å; E125-I183 HydrophobicContact CG-CB 4.15Å; E125-I183 HydrophobicContact CG-CG2 3.58Å; E125-Y205 VanDerWaalsContact CG-OH 3.29Å; E125-Y205 WeakPolarHBondContact CG-OH 3.27Å; E125-Y205 PolarHBondContact OE1-OH 3.08Å
126T91.9Very high92.6Very high0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-64.8-46.8179.5-56.30000111.4F122 V123 M124 Q128 Y130 Y134 A161 L162 N180F122-T126 VanDerWaalsContact O-CB 3.27Å; F122-T126 WeakPolarHBondContact O-CB 3.37Å; F122-T126 PolarHBondContact O-N 3.34Å; F122-T126 PolarHBondContact O-OG1 3.48Å; V123-T126 PolarHBondContact O-N 3.11Å; M124-T126 VanDerWaalsContact C-N 3.3Å; M124-T126 PolarHBondContact O-N 3.26Å; T126-Q128 VanDerWaalsContact C-N 3.27Å; T126-Q128 PolarHBondContact O-N 2.86Å; T126-Y130 HydrophobicContact CG2-CD2 4.2Å; T126-Y130 WeakPolarHBondContact O-CA 3.2Å; T126-Y130 WeakPolarHBondContact O-CB 3.32Å; T126-Y130 PolarHBondContact O-N 3.05Å; T126-Y134 HydrophobicContact CG2-CD2 4.41Å; T126-A161 HydrophobicContact CG2-CB 3.75Å; T126-L162 HydrophobicContact CG2-CD2 3.95Å; T126-L162 HydrophobicContact CG2-CG 3.87Å; T126-N180 PolarHBondContact OG1-ND2 3.12Å
127M92.5Very high92.7Very high49 Ų4939.6 Ų39.624%0.24122%0.218CC..Hα-helixtrans-59.1-40.1177.8-179-179.970.900111.8V123 M124 S131 Y134V123-M127 VanDerWaalsContact O-CB 3.27Å; V123-M127 WeakPolarHBondContact O-CB 3.25Å; V123-M127 PolarHBondContact O-N 3.38Å; M124-M127 HydrophobicContact CE-CE 3.9Å; M124-M127 HydrophobicContact CE-SD 4.43Å; M124-M127 PolarHBondContact O-N 3.31Å; M124-M127 HydrophobicContact SD-CE 3.85Å; M127-S131 WeakPolarHBondContact O-CA 3.32Å; M127-S131 WeakPolarHBondContact O-CB 3.11Å; M127-S131 PolarHBondContact O-N 3.31Å; M127-Y134 HydrophobicContact CB-CD1 4.13Å; M127-Y134 HydrophobicContact CB-CD2 3.85Å; M127-Y134 HydrophobicContact CB-CE1 4.24Å; M127-Y134 HydrophobicContact CB-CE2 3.97Å; M127-Y134 HydrophobicContact CB-CG 3.93Å; M127-Y134 HydrophobicContact CG-CD1 3.77Å; M127-Y134 HydrophobicContact CG-CD2 4.41Å; M127-Y134 HydrophobicContact CG-CE1 3.92Å; M127-Y134 HydrophobicContact CG-CG 4.03Å; M127-Y134 HydrophobicContact SD-CD1 4.42Å; M127-Y134 HydrophobicContact SD-CE1 4.02Å
128Q90.7Very high92.9Very high25 Ų2539.9 Ų39.912%0.11721%0.212CC..Hα-helixtrans-83.1-32.9-175-63.7-73.7-0.500113.3M124 E125 T126 Y205 Q206 I209M124-Q128 WeakPolarHBondContact O-CB 3.35Å; M124-Q128 WeakPolarHBondContact O-CG 3.47Å; M124-Q128 PolarHBondContact O-N 2.96Å; E125-Q128 PolarHBondContact O-N 2.87Å; T126-Q128 VanDerWaalsContact C-N 3.27Å; T126-Q128 PolarHBondContact O-N 2.86Å; Q128-Y205 HydrophobicContact CG-CE1 4.28Å; Q128-Q206 VanDerWaalsContact OE1-CG 3.3Å; Q128-I209 HydrophobicContact CB-CD1 3.15Å; Q128-I209 HydrophobicContact CG-CD1 4.15Å
129L90.7Very high93.2Very high20 Ų2041.2 Ų41.211%0.10522%0.217CC..Hα-helixtrans-81.6-35.7176.8-70.7178.1000112.9E125 I179 I183 I209 R210 Q213E125-L129 VanDerWaalsContact O-CB 3.31Å; E125-L129 WeakPolarHBondContact O-CB 3.46Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 3.33Å; L129-I179 HydrophobicContact CD1-CG2 4.31Å; L129-I183 HydrophobicContact CD1-CD1 3.78Å; L129-I209 HydrophobicContact CD2-CB 4.09Å; L129-I209 HydrophobicContact CD2-CD1 3.98Å; L129-I209 HydrophobicContact CD2-CG1 3.82Å; L129-I209 HydrophobicContact CG-CD1 4.05Å; L129-I209 HydrophobicContact CG-CG1 4.37Å; L129-R210 HydrophobicContact CD2-CG 4.42Å; L129-Q213 HydrophobicContact CD2-CB 4.07Å; L129-Q213 HydrophobicContact CD2-CG 4.47Å
130Y91.2Very high93.4Very high9 Ų937.1 Ų37.14%0.03519%0.188CC..SBendtrans-127.650.4-171.6-48.9-67.3000110.8T126 D132 A133 Y134 L162 A165 E169 M176 Q213T126-Y130 HydrophobicContact CG2-CD2 4.2Å; T126-Y130 WeakPolarHBondContact O-CA 3.2Å; T126-Y130 WeakPolarHBondContact O-CB 3.32Å; T126-Y130 PolarHBondContact O-N 3.05Å; Y130-D132 VanDerWaalsContact C-N 3.3Å; Y130-D132 PolarHBondContact O-N 3.37Å; Y130-A133 PolarHBondContact O-N 3.14Å; Y130-Y134 WeakPolarHBondContact O-CB 3.38Å; Y130-Y134 PolarHBondContact O-N 2.68Å; Y130-L162 HydrophobicContact CD2-CD2 4.16Å; Y130-L162 HydrophobicContact CE2-CD2 4.01Å; Y130-A165 HydrophobicContact CD1-CB 3.74Å; Y130-A165 HydrophobicContact CD2-CB 4.31Å; Y130-A165 HydrophobicContact CE1-CB 4.24Å; Y130-A165 HydrophobicContact CG-CB 3.77Å; Y130-E169 HydrophobicContact CD1-CG 4.41Å; Y130-E169 HydrophobicContact CE1-CG 4.13Å; Y130-M176 HydrophobicContact CE1-CE 3.81Å; Y130-M176 HydrophobicContact CE1-SD 4.18Å; Y130-M176 HydrophobicContact CE2-CB 4.47Å; Y130-M176 HydrophobicContact CE2-CG 4.43Å; Y130-M176 HydrophobicContact CE2-SD 4.04Å; Y130-M176 VanDerWaalsContact OH-CG 3.32Å; Y130-M176 WeakPolarHBondContact OH-CG 3.41Å; Y130-Q213 PolarHBondContact OH-NE2 3.46Å
131S92.7Very high93.7Very high42 Ų4237 Ų3729%0.29419%0.188SC..Hα-helixtrans-52.9-44.7-173.157.10000113.4M127 Y134 H135M127-S131 WeakPolarHBondContact O-CA 3.32Å; M127-S131 WeakPolarHBondContact O-CB 3.11Å; M127-S131 PolarHBondContact O-N 3.31Å; S131-Y134 WeakPolarHBondContact O-CB 3.44Å; S131-Y134 PolarHBondContact O-N 3.06Å; S131-H135 PolarHBondContact O-CD2 2.75Å; S131-H135 PolarHBondContact O-N 3.23Å
132D93.5Very high94.1Very high105 Ų10538.5 Ų38.556%0.56119%0.192SC*.Hα-helixtrans-66.1-45.7-177.6-62.7-8.4000110.7Y130 Y134 H135 I136Y130-D132 VanDerWaalsContact C-N 3.3Å; Y130-D132 PolarHBondContact O-N 3.37Å; D132-Y134 VanDerWaalsContact C-N 3.29Å; D132-Y134 PolarHBondContact O-N 3.03Å; D132-H135 PolarHBondContact O-N 2.85Å; D132-I136 WeakPolarHBondContact O-CD1 3.45Å; D132-I136 WeakPolarHBondContact O-CG1 3.18Å; D132-I136 PolarHBondContact O-N 3.4Å
133A95Very high94.4Very high3 Ų340.3 Ų40.33%0.02520%0.201CC..Hα-helixtrans-61.9-3817500000111.7M90 Y130 A137 A161 I164 A165M90-A133 HydrophobicContact CE-CB 4.22Å; Y130-A133 PolarHBondContact O-N 3.14Å; A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 3.48Å; A133-A161 HydrophobicContact CB-CB 4.48Å; A133-I164 HydrophobicContact CB-CB 4.06Å; A133-I164 HydrophobicContact CB-CG2 3.84Å; A133-A165 HydrophobicContact CB-CB 4.16Å
134Y95.9Very high94.7Very high21 Ų2139.2 Ų39.28%0.08219%0.194CC..Hα-helixtrans-66.2-43.5176.8-168.3-87000112.6V123 T126 M127 Y130 S131 D132 A137 K138 I157 A161V123-Y134 HydrophobicContact CG1-CE2 3.89Å; V123-Y134 WeakPolarHBondContact CG1-OH 3.24Å; T126-Y134 HydrophobicContact CG2-CD2 4.41Å; M127-Y134 HydrophobicContact CB-CD1 4.13Å; M127-Y134 HydrophobicContact CB-CD2 3.85Å; M127-Y134 HydrophobicContact CB-CE1 4.24Å; M127-Y134 HydrophobicContact CB-CE2 3.97Å; M127-Y134 HydrophobicContact CB-CG 3.93Å; M127-Y134 HydrophobicContact CG-CD1 3.77Å; M127-Y134 HydrophobicContact CG-CD2 4.41Å; M127-Y134 HydrophobicContact CG-CE1 3.92Å; M127-Y134 HydrophobicContact CG-CG 4.03Å; M127-Y134 HydrophobicContact SD-CD1 4.42Å; M127-Y134 HydrophobicContact SD-CE1 4.02Å; Y130-Y134 WeakPolarHBondContact O-CB 3.38Å; Y130-Y134 PolarHBondContact O-N 2.68Å; S131-Y134 WeakPolarHBondContact O-CB 3.44Å; S131-Y134 PolarHBondContact O-N 3.06Å; D132-Y134 VanDerWaalsContact C-N 3.29Å; D132-Y134 PolarHBondContact O-N 3.03Å; Y134-A137 PolarHBondContact O-N 3.09Å; Y134-K138 PolarHBondContact O-N 2.87Å; Y134-I157 HydrophobicContact CD1-CG2 4.08Å; Y134-I157 HydrophobicContact CD2-CG2 3.87Å; Y134-I157 HydrophobicContact CE1-CG2 3.79Å; Y134-I157 HydrophobicContact CE2-CB 4.2Å; Y134-I157 HydrophobicContact CE2-CG2 3.57Å; Y134-I157 HydrophobicContact CG-CG2 4.11Å; Y134-A161 HydrophobicContact CD2-CB 4.09Å
135H96Very high95.1Very high113 Ų11338.3 Ų38.352%0.52319%0.19SC..Hα-helixtrans-63.2-42176-72.3-50.7000112.3S131 D132 K138 Q139S131-H135 PolarHBondContact O-CD2 2.75Å; S131-H135 PolarHBondContact O-N 3.23Å; D132-H135 PolarHBondContact O-N 2.85Å; H135-K138 WeakPolarHBondContact O-CB 3.47Å; H135-K138 PolarHBondContact O-N 2.64Å; H135-Q139 PolarHBondContact O-N 2.95Å
136I96.5Very high95.4Very high15 Ų1542.4 Ų42.48%0.07723%0.225CC..Hα-helixtrans-65.8-44.5175.7-67.3163.5000110.4F84 I85 T88 M90 D132 K138 Q139 V140 I164F84-I136 HydrophobicContact CD1-CG2 4.41Å; F84-I136 HydrophobicContact CE1-CG2 3.94Å; I85-I136 HydrophobicContact CB-CG2 4.35Å; I85-I136 HydrophobicContact CG1-CG2 3.74Å; I85-I136 HydrophobicContact CG2-CG2 4.43Å; T88-I136 HydrophobicContact CG2-CD1 3.82Å; T88-I136 HydrophobicContact CG2-CG1 4.01Å; T88-I136 HydrophobicContact CG2-CG2 4.33Å; M90-I136 HydrophobicContact CG-CD1 3.74Å; M90-I136 HydrophobicContact SD-CD1 3.32Å; M90-I136 WeakPolarHBondContact SD-CD1 3.49Å; D132-I136 WeakPolarHBondContact O-CD1 3.45Å; D132-I136 WeakPolarHBondContact O-CG1 3.18Å; D132-I136 PolarHBondContact O-N 3.4Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.44Å; I136-Q139 PolarHBondContact O-N 3.49Å; I136-Q139 VanDerWaalsContact O-N 3.11Å; I136-V140 WeakPolarHBondContact O-CG2 3.15Å; I136-V140 PolarHBondContact O-N 2.94Å; I136-I164 HydrophobicContact CB-CD1 4.27Å; I136-I164 HydrophobicContact CG2-CD1 3.8Å
137A97.4Very high95.6Very high0 Ų044.7 Ų44.70%024%0.244CC..Hα-helixtrans-58.2-37.9177.100000112.4A133 Y134 Q139 V140 I141 I157 I160 A161 I164A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 3.48Å; Y134-A137 PolarHBondContact O-N 3.09Å; A137-Q139 PolarHBondContact O-N 3.37Å; A137-V140 WeakPolarHBondContact O-CB 3.36Å; A137-V140 PolarHBondContact O-N 3.49Å; A137-I141 WeakPolarHBondContact O-CG1 3.29Å; A137-I141 PolarHBondContact O-N 3.46Å; A137-I157 HydrophobicContact CB-CG2 3.97Å; A137-I157 WeakPolarHBondContact CB-O 3.5Å; A137-I160 HydrophobicContact CB-CB 3.88Å; A137-I160 HydrophobicContact CB-CG2 3.61Å; A137-A161 HydrophobicContact CB-CB 3.88Å; A137-I164 HydrophobicContact CB-CD1 4.22Å
138K97.6Very high95.8Very high102 Ų10243.1 Ų43.144%0.44324%0.237SC..Hα-helixtrans-60.4-45.5175.4-175.3172.8-177.8171.40111.6Y134 H135 I136 V140 I141 D142 I157Y134-K138 PolarHBondContact O-N 2.87Å; H135-K138 WeakPolarHBondContact O-CB 3.47Å; H135-K138 PolarHBondContact O-N 2.64Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.44Å; K138-V140 VanDerWaalsContact C-N 3.31Å; K138-V140 PolarHBondContact O-N 3.1Å; K138-I141 PolarHBondContact O-N 3.38Å; K138-D142 PolarHBondContact O-N 3.14Å; K138-I157 HydrophobicContact CB-CD1 4.34Å; K138-I157 HydrophobicContact CB-CG2 4.09Å; K138-I157 HydrophobicContact CG-CD1 4.11Å
139Q97.4Very high96.1Very high97 Ų9747.2 Ų47.245%0.45326%0.259SS..Hα-helixtrans-67.2-33177.7-64.5178.4-65.800112.3F84 H135 I136 A137 D142 Q143F84-Q139 HydrophobicContact CE1-CB 3.69Å; F84-Q139 HydrophobicContact CZ-CB 3.75Å; F84-Q139 HydrophobicContact CZ-CG 4.35Å; F84-Q139 VanDerWaalsContact CZ-OE1 3.28Å; H135-Q139 PolarHBondContact O-N 2.95Å; I136-Q139 PolarHBondContact O-N 3.49Å; I136-Q139 VanDerWaalsContact O-N 3.11Å; A137-Q139 PolarHBondContact O-N 3.37Å; Q139-D142 PolarHBondContact O-N 3.31Å; Q139-Q143 WeakPolarHBondContact O-CG 3.41Å; Q139-Q143 PolarHBondContact O-N 3.23Å
140V97.7Very high96.3Very high0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-63.3-45.2171.6169.50000110.8F84 I85 I136 A137 K138 D142 Q143 L144 I160F84-V140 HydrophobicContact CD1-CG2 3.94Å; F84-V140 HydrophobicContact CE1-CG2 4.36Å; I85-V140 HydrophobicContact CD1-CG2 3.86Å; I85-V140 HydrophobicContact CG1-CG2 3.71Å; I136-V140 WeakPolarHBondContact O-CG2 3.15Å; I136-V140 PolarHBondContact O-N 2.94Å; A137-V140 WeakPolarHBondContact O-CB 3.36Å; A137-V140 PolarHBondContact O-N 3.49Å; K138-V140 VanDerWaalsContact C-N 3.31Å; K138-V140 PolarHBondContact O-N 3.1Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 3.06Å; V140-Q143 WeakPolarHBondContact O-CB 3.26Å; V140-Q143 PolarHBondContact O-N 3.44Å; V140-L144 HydrophobicContact CG1-CD1 3.89Å; V140-L144 HydrophobicContact CG1-CG 4.38Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.45Å; V140-L144 PolarHBondContact O-N 3.09Å; V140-I160 HydrophobicContact CB-CG2 4.45Å; V140-I160 HydrophobicContact CG1-CD1 3.87Å; V140-I160 HydrophobicContact CG1-CG2 4.27Å
141I98Very high96.6Very high5 Ų553.4 Ų53.43%0.02629%0.289CS..Hα-helixtrans-61.9-41.1176-69.8-70.6000111.6A137 K138 Q143 L144 N145 F152 E156 I157 I160A137-I141 WeakPolarHBondContact O-CG1 3.29Å; A137-I141 PolarHBondContact O-N 3.46Å; K138-I141 PolarHBondContact O-N 3.38Å; I141-Q143 VanDerWaalsContact C-N 3.32Å; I141-Q143 PolarHBondContact O-N 2.86Å; I141-L144 HydrophobicContact CD1-CD1 4.16Å; I141-L144 PolarHBondContact O-N 2.92Å; I141-N145 WeakPolarHBondContact CG2-ND2 3.38Å; I141-N145 WeakPolarHBondContact O-CB 3.44Å; I141-N145 PolarHBondContact O-N 3.33Å; I141-N145 PolarHBondContact O-ND2 3.22Å; I141-F152 HydrophobicContact CD1-CB 3.76Å; I141-F152 HydrophobicContact CD1-CD1 4.15Å; I141-F152 HydrophobicContact CD1-CG 4.2Å; I141-F152 HydrophobicContact CG2-CB 4.2Å; I141-E156 HydrophobicContact CD1-CB 3.6Å; I141-I157 HydrophobicContact CB-CG1 4.17Å; I141-I157 HydrophobicContact CG1-CG1 3.8Å; I141-I157 HydrophobicContact CG2-CG1 4.34Å; I141-I160 HydrophobicContact CD1-CD1 3.58Å; I141-I160 HydrophobicContact CG1-CD1 4.01Å
142D97.6Very high96.8Very high92 Ų9251.5 Ų51.549%0.49228%0.275SS..Hα-helixtrans-60-42175.1-67.2-25.2000111.5K138 Q139 V140 A146K138-D142 PolarHBondContact O-N 3.14Å; Q139-D142 PolarHBondContact O-N 3.31Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 PolarHBondContact O-N 3.06Å; D142-A146 WeakPolarHBondContact O-CB 3.05Å; D142-A146 PolarHBondContact O-N 2.99Å
143Q96.8Very high97Very high62 Ų6247.6 Ų47.629%0.2926%0.256SS..Hα-helixtrans-65.3-43.7175.4-71.3174.430.100112.4Q139 V140 I141 A146 A147Q139-Q143 WeakPolarHBondContact O-CG 3.41Å; Q139-Q143 PolarHBondContact O-N 3.23Å; V140-Q143 WeakPolarHBondContact O-CB 3.26Å; V140-Q143 PolarHBondContact O-N 3.44Å; I141-Q143 VanDerWaalsContact C-N 3.32Å; I141-Q143 PolarHBondContact O-N 2.86Å; Q143-A146 PolarHBondContact O-N 3.08Å; Q143-A147 WeakPolarHBondContact O-CB 3.44Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.15Å
144L98Very high96.9Very high0 Ų054.4 Ų54.40%029%0.287CS..Hα-helixtrans-60.8-47.7177.2-70.3166.8000111V77 I105 V140 I141 A146 A147 L148 F152 I160V77-L144 HydrophobicContact CG1-CD2 3.75Å; I105-L144 HydrophobicContact CD1-CD1 4.13Å; I105-L144 HydrophobicContact CD1-CD2 4.43Å; I105-L144 HydrophobicContact CG1-CD1 4.35Å; I105-L144 HydrophobicContact CG2-CD1 4.3Å; I105-L144 HydrophobicContact CG2-CD2 3.79Å; V140-L144 HydrophobicContact CG1-CD1 3.89Å; V140-L144 HydrophobicContact CG1-CG 4.38Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.45Å; V140-L144 PolarHBondContact O-N 3.09Å; I141-L144 HydrophobicContact CD1-CD1 4.16Å; I141-L144 PolarHBondContact O-N 2.92Å; L144-A146 VanDerWaalsContact C-N 3.27Å; L144-A146 PolarHBondContact O-N 3.47Å; L144-A147 PolarHBondContact O-N 2.98Å; L144-L148 HydrophobicContact CB-CD1 4.5Å; L144-L148 HydrophobicContact CD2-CD1 3.8Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.19Å; L144-F152 HydrophobicContact CB-CD2 4Å; L144-F152 HydrophobicContact CB-CE2 4.01Å; L144-F152 HydrophobicContact CD1-CD1 4.46Å; L144-F152 HydrophobicContact CD1-CE1 4.33Å; L144-F152 HydrophobicContact CD1-CZ 4.43Å; L144-I160 HydrophobicContact CD1-CD1 4.02Å
145N97.9Very high96.9Very high40 Ų4055.1 Ų55.121%0.21429%0.292CS..Hα-helixtrans-64.4-29.1178.1-78.4-26.8000113.4I141 H151 F152I141-N145 WeakPolarHBondContact CG2-ND2 3.38Å; I141-N145 WeakPolarHBondContact O-CB 3.44Å; I141-N145 PolarHBondContact O-N 3.33Å; I141-N145 PolarHBondContact O-ND2 3.22Å; N145-H151 WeakPolarHBondContact OD1-CA 3.49Å; N145-F152 PolarHBondContact ND2-O 3.44Å; N145-F152 PolarHBondContact OD1-N 3.31Å
146A97.5Very high97Very high90 Ų9049.9 Ų49.974%0.74427%0.268SS*.Hα-helixtrans-78.4-26.6177.300000113.4D142 Q143 L144D142-A146 WeakPolarHBondContact O-CB 3.05Å; D142-A146 PolarHBondContact O-N 2.99Å; Q143-A146 PolarHBondContact O-N 3.08Å; L144-A146 VanDerWaalsContact C-N 3.27Å; L144-A146 PolarHBondContact O-N 3.47Å
147A97.2Very high97Very high48 Ų4849.5 Ų49.540%0.39727%0.266SS..Hα-helixtrans-110.6-19.2-170.300000114.8V77 Q143 L144V77-A147 HydrophobicContact CB-CB 4.4Å; V77-A147 HydrophobicContact CG1-CB 3.87Å; V77-A147 HydrophobicContact CG2-CB 3.51Å; Q143-A147 WeakPolarHBondContact O-CB 3.44Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.15Å; L144-A147 PolarHBondContact O-N 2.98Å
148L97.1Very high96.9Very high17 Ų1749.5 Ų49.59%0.08927%0.266CS..SBendtrans-110159.1-177.7-57.3179.7000111.2V74 V77 Y109 L144 V150 F152V74-L148 HydrophobicContact CG2-CD2 4.03Å; V77-L148 HydrophobicContact CB-CD2 4.19Å; V77-L148 HydrophobicContact CB-CG 4.49Å; V77-L148 HydrophobicContact CG1-CD1 4.47Å; V77-L148 HydrophobicContact CG1-CG 4.28Å; V77-L148 HydrophobicContact CG2-CD2 3.88Å; V77-L148 HydrophobicContact CG2-CG 4.43Å; Y109-L148 HydrophobicContact CD2-CB 4.46Å; Y109-L148 HydrophobicContact CD2-CD1 4.05Å; Y109-L148 HydrophobicContact CE2-CB 4.22Å; Y109-L148 HydrophobicContact CE2-CD1 4.45Å; L144-L148 HydrophobicContact CB-CD1 4.5Å; L144-L148 HydrophobicContact CD2-CD1 3.8Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.19Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.96Å; L148-F152 HydrophobicContact CD1-CE2 3.89Å; L148-F152 HydrophobicContact CD1-CZ 4.19Å
149D96.1Very high96.8Very high111 Ų11146.9 Ų46.959%0.59426%0.255SS*.SBendtrans-92.725.5-17667.8-8.4000113.4Y109 K113Y109-D149 WeakPolarHBondContact CE2-OD1 3.46Å; Y109-D149 PolarHBondContact OH-OD1 2.65Å; Y109-D149 VanDerWaalsContact OH-OD1 3.07Å; K113-D149 WeakPolarHBondContact CE-OD1 3.34Å; K113-D149 IonicContact NZ-OD1 2.57Å; K113-D149 PolarHBondContact NZ-OD1 2.92Å; K113-D149 IonicContact NZ-OD2 3.27Å; K113-D149 PolarHBondContact NZ-OD2 3.32Å
150V96.3Very high96.8Very high19 Ų1942.3 Ų42.312%0.11523%0.233CC..SBendtrans-132.1157.6172.3-58.70000109.4Y109 L112 K113 L148 F152Y109-V150 HydrophobicContact CD2-CB 4.48Å; Y109-V150 HydrophobicContact CD2-CG1 4.17Å; Y109-V150 HydrophobicContact CD2-CG2 3.47Å; Y109-V150 VanDerWaalsContact CD2-CG2 3.47Å; Y109-V150 HydrophobicContact CE2-CG1 3.95Å; Y109-V150 HydrophobicContact CE2-CG2 3.87Å; L112-V150 HydrophobicContact CB-CB 3.99Å; L112-V150 HydrophobicContact CB-CG1 4.25Å; L112-V150 HydrophobicContact CB-CG2 4.13Å; L112-V150 HydrophobicContact CD1-CG2 4.08Å; K113-V150 HydrophobicContact CD-CG1 3.71Å; K113-V150 HydrophobicContact CG-CG1 3.88Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.96Å; V150-F152 HydrophobicContact CG2-CD2 3.93Å; V150-F152 HydrophobicContact CG2-CE2 3.49Å; V150-F152 VanDerWaalsContact CG2-CE2 3.49Å; V150-F152 HydrophobicContact CG2-CZ 4.23Å
151H96.7Very high96.7Very high140 Ų14042.3 Ų42.365%0.64823%0.233SC*.  trans-104.5113.6174.6-173.265.9000110.5N145N145-H151 WeakPolarHBondContact OD1-CA 3.49Å
152F97.4Very high96.5Very high2 Ų242.2 Ų42.21%0.00923%0.233CC..  trans-76.2123.2173.3-71-107.1000110I105 A108 L112 I141 L144 N145 L148 V150 E156I105-F152 HydrophobicContact CG2-CE1 4.38Å; I105-F152 HydrophobicContact CG2-CZ 4.22Å; A108-F152 HydrophobicContact CB-CD1 4.38Å; A108-F152 HydrophobicContact CB-CE1 3.81Å; L112-F152 HydrophobicContact CD1-CB 4.25Å; L112-F152 HydrophobicContact CD1-CD1 3.71Å; L112-F152 HydrophobicContact CD1-CD2 4.02Å; L112-F152 HydrophobicContact CD1-CE1 4Å; L112-F152 HydrophobicContact CD1-CE2 4.28Å; L112-F152 HydrophobicContact CD1-CG 3.72Å; L112-F152 HydrophobicContact CD1-CZ 4.27Å; I141-F152 HydrophobicContact CD1-CB 3.76Å; I141-F152 HydrophobicContact CD1-CD1 4.15Å; I141-F152 HydrophobicContact CD1-CG 4.2Å; I141-F152 HydrophobicContact CG2-CB 4.2Å; L144-F152 HydrophobicContact CB-CD2 4Å; L144-F152 HydrophobicContact CB-CE2 4.01Å; L144-F152 HydrophobicContact CD1-CD1 4.46Å; L144-F152 HydrophobicContact CD1-CE1 4.33Å; L144-F152 HydrophobicContact CD1-CZ 4.43Å; N145-F152 PolarHBondContact ND2-O 3.44Å; N145-F152 PolarHBondContact OD1-N 3.31Å; L148-F152 HydrophobicContact CD1-CE2 3.89Å; L148-F152 HydrophobicContact CD1-CZ 4.19Å; V150-F152 HydrophobicContact CG2-CD2 3.93Å; V150-F152 HydrophobicContact CG2-CE2 3.49Å; V150-F152 VanDerWaalsContact CG2-CE2 3.49Å; V150-F152 HydrophobicContact CG2-CZ 4.23Å; F152-E156 HydrophobicContact CB-CB 4.49Å; F152-E156 HydrophobicContact CD1-CB 4.38Å; F152-E156 HydrophobicContact CD1-CG 4.13Å
153P96.2Very high96.3Very high23 Ų2339.2 Ų39.215%0.14922%0.216CC..  trans-73.9164.9-179.731.6-36.5000112.2V117 D155 E156V117-P153 HydrophobicContact CG1-CG 4.09Å; P153-D155 PolarHBondContact O-N 3.03Å; P153-E156 HydrophobicContact CG-CG 4Å; P153-E156 WeakPolarHBondContact O-CB 3.49Å; P153-E156 PolarHBondContact O-N 3.13Å
154E94.7Very high96.2Very high145 Ų14536.3 Ų36.368%0.67820%0.202SC*.Hα-helixtrans-58.6-29.3179.8-67.3-168.8157.600113.6E156 I157E154-E156 PolarHBondContact O-N 3.24Å; E154-I157 HydrophobicContact CB-CD1 4.27Å; E154-I157 HydrophobicContact CG-CD1 4.37Å; E154-I157 WeakPolarHBondContact O-CB 3.33Å; E154-I157 WeakPolarHBondContact O-CG1 3.32Å; E154-I157 PolarHBondContact O-N 3.01Å
155D95.7Very high96Very high37 Ų3736.3 Ų36.320%0.19820%0.203CC..Hα-helixtrans-55.4-33.2174.8-63.3-91.5000112.8I118 S119 N120 P153 I157 G158 F159I118-D155 WeakPolarHBondContact O-CB 3.18Å; S119-D155 WeakPolarHBondContact CA-OD1 3.48Å; S119-D155 PolarHBondContact OG-OD1 2.89Å; N120-D155 HydrophobicContact CB-CB 3.82Å; N120-D155 PolarHBondContact N-OD1 3.4Å; N120-D155 PolarHBondContact ND2-O 3.46Å; P153-D155 PolarHBondContact O-N 3.03Å; D155-I157 VanDerWaalsContact C-N 3.28Å; D155-I157 PolarHBondContact O-N 3.36Å; D155-G158 PolarHBondContact O-N 3.31Å; D155-F159 WeakPolarHBondContact O-CD2 3.27Å; D155-F159 PolarHBondContact O-N 3.32Å
156E96.9Very high95.7Very high2 Ų235.7 Ų35.71%0.00920%0.201CC..Hα-helixtrans-69.2-24.7178-66.2-69.317300112.3H104 R111 I141 F152 P153 E154 G158 F159 I160H104-E156 IonicContact CD2-OE2 2.96Å; H104-E156 IonicContact CE1-OE2 3.58Å; H104-E156 PolarHBondContact CE1-OE2 3.23Å; H104-E156 VanDerWaalsContact CE1-OE2 3.27Å; H104-E156 IonicContact NE2-OE2 3.58Å; H104-E156 PolarHBondContact NE2-OE2 3.4Å; R111-E156 IonicContact CZ-OE1 3.81Å; R111-E156 IonicContact NH2-OE1 3.2Å; R111-E156 PolarHBondContact NH2-OE1 3.37Å; I141-E156 HydrophobicContact CD1-CB 3.6Å; F152-E156 HydrophobicContact CB-CB 4.49Å; F152-E156 HydrophobicContact CD1-CB 4.38Å; F152-E156 HydrophobicContact CD1-CG 4.13Å; P153-E156 HydrophobicContact CG-CG 4Å; P153-E156 WeakPolarHBondContact O-CB 3.49Å; P153-E156 PolarHBondContact O-N 3.13Å; E154-E156 PolarHBondContact O-N 3.24Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 2.87Å; E156-F159 PolarHBondContact O-N 3.17Å; E156-I160 WeakPolarHBondContact O-CB 3.27Å; E156-I160 WeakPolarHBondContact O-CG1 3.31Å; E156-I160 PolarHBondContact O-N 2.68Å
157I97.4Very high95.3Very high8 Ų832.1 Ų32.14%0.04117%0.17CC..Hα-helixtrans-58.8-46.3171.2-57.6170.2000109.1Y134 A137 K138 I141 E154 D155 F159 I160 A161Y134-I157 HydrophobicContact CD1-CG2 4.08Å; Y134-I157 HydrophobicContact CD2-CG2 3.87Å; Y134-I157 HydrophobicContact CE1-CG2 3.79Å; Y134-I157 HydrophobicContact CE2-CB 4.2Å; Y134-I157 HydrophobicContact CE2-CG2 3.57Å; Y134-I157 HydrophobicContact CG-CG2 4.11Å; A137-I157 HydrophobicContact CB-CG2 3.97Å; A137-I157 WeakPolarHBondContact CB-O 3.5Å; K138-I157 HydrophobicContact CB-CD1 4.34Å; K138-I157 HydrophobicContact CB-CG2 4.09Å; K138-I157 HydrophobicContact CG-CD1 4.11Å; I141-I157 HydrophobicContact CB-CG1 4.17Å; I141-I157 HydrophobicContact CG1-CG1 3.8Å; I141-I157 HydrophobicContact CG2-CG1 4.34Å; E154-I157 HydrophobicContact CB-CD1 4.27Å; E154-I157 HydrophobicContact CG-CD1 4.37Å; E154-I157 WeakPolarHBondContact O-CB 3.33Å; E154-I157 WeakPolarHBondContact O-CG1 3.32Å; E154-I157 PolarHBondContact O-N 3.01Å; D155-I157 VanDerWaalsContact C-N 3.28Å; D155-I157 PolarHBondContact O-N 3.36Å; I157-F159 PolarHBondContact O-N 3.45Å; I157-I160 PolarHBondContact O-N 2.86Å; I157-A161 WeakPolarHBondContact O-CB 3.21Å; I157-A161 PolarHBondContact O-N 3.43Å
158G95.5Very high94.8Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-64.3-39.6179.100000112.8N120 D155 E156 A161 L162N120-G158 WeakPolarHBondContact ND2-CA 3.42Å; D155-G158 PolarHBondContact O-N 3.31Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 2.87Å; G158-A161 PolarHBondContact O-N 3.41Å; G158-L162 WeakPolarHBondContact O-CG 3.43Å; G158-L162 PolarHBondContact O-N 3.38Å; G158-L162 VanDerWaalsContact O-N 3.09Å
159F95.6Very high94Very high47 Ų4734.8 Ų34.821%0.20618%0.176CC..Hα-helixtrans-68-45.6177.6-67.2-55.7000112.2H104 I118 N120 D155 E156 I157 A161 L162 H163H104-F159 VanDerWaalsContact CE1-CB 3.46Å; H104-F159 WeakPolarHBondContact CE1-CB 3.45Å; H104-F159 AromaticContact CE1-CG 3.99Å; I118-F159 HydrophobicContact CG2-CE2 4.23Å; I118-F159 HydrophobicContact CG2-CZ 4.18Å; N120-F159 HydrophobicContact CB-CD2 4.37Å; N120-F159 HydrophobicContact CB-CE1 4.19Å; N120-F159 HydrophobicContact CB-CE2 3.77Å; N120-F159 HydrophobicContact CB-CZ 3.66Å; N120-F159 PolarHBondContact ND2-N 2.88Å; D155-F159 WeakPolarHBondContact O-CD2 3.27Å; D155-F159 PolarHBondContact O-N 3.32Å; E156-F159 PolarHBondContact O-N 3.17Å; I157-F159 PolarHBondContact O-N 3.45Å; F159-A161 VanDerWaalsContact C-N 3.31Å; F159-A161 PolarHBondContact O-N 3.45Å; F159-L162 PolarHBondContact O-N 3.07Å; F159-H163 PolarHBondContact O-CD2 3.24Å; F159-H163 VanDerWaalsContact O-CD2 3.31Å; F159-H163 PolarHBondContact O-N 2.74Å
160I96.4Very high93.3Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-62.8-40.3176.1-67.1-177.4000110.6L101 I105 A137 V140 I141 L144 E156 I157 L162 H163 I164L101-I160 HydrophobicContact CD1-CB 4.39Å; L101-I160 HydrophobicContact CD1-CG1 4.04Å; L101-I160 HydrophobicContact CD1-CG2 4Å; I105-I160 HydrophobicContact CG1-CD1 4.41Å; A137-I160 HydrophobicContact CB-CB 3.88Å; A137-I160 HydrophobicContact CB-CG2 3.61Å; V140-I160 HydrophobicContact CB-CG2 4.45Å; V140-I160 HydrophobicContact CG1-CD1 3.87Å; V140-I160 HydrophobicContact CG1-CG2 4.27Å; I141-I160 HydrophobicContact CD1-CD1 3.58Å; I141-I160 HydrophobicContact CG1-CD1 4.01Å; L144-I160 HydrophobicContact CD1-CD1 4.02Å; E156-I160 WeakPolarHBondContact O-CB 3.27Å; E156-I160 WeakPolarHBondContact O-CG1 3.31Å; E156-I160 PolarHBondContact O-N 2.68Å; I157-I160 PolarHBondContact O-N 2.86Å; I160-L162 VanDerWaalsContact C-N 3.3Å; I160-L162 PolarHBondContact O-N 3.36Å; I160-H163 WeakPolarHBondContact O-CB 3.26Å; I160-H163 PolarHBondContact O-N 2.89Å; I160-H163 VanDerWaalsContact O-N 3.1Å; I160-I164 HydrophobicContact CG2-CD1 3.89Å; I160-I164 HydrophobicContact CG2-CG1 4.4Å; I160-I164 WeakPolarHBondContact O-CG1 3.48Å; I160-I164 PolarHBondContact O-N 2.84Å
161A95.5Very high92.8Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-58.7-42.3176.300000111.8T126 A133 Y134 A137 I157 G158 F159 I164 A165T126-A161 HydrophobicContact CG2-CB 3.75Å; A133-A161 HydrophobicContact CB-CB 4.48Å; Y134-A161 HydrophobicContact CD2-CB 4.09Å; A137-A161 HydrophobicContact CB-CB 3.88Å; I157-A161 WeakPolarHBondContact O-CB 3.21Å; I157-A161 PolarHBondContact O-N 3.43Å; G158-A161 PolarHBondContact O-N 3.41Å; F159-A161 VanDerWaalsContact C-N 3.31Å; F159-A161 PolarHBondContact O-N 3.45Å; A161-I164 PolarHBondContact O-N 2.87Å; A161-A165 VanDerWaalsContact O-CB 3.26Å; A161-A165 WeakPolarHBondContact O-CB 3.18Å; A161-A165 PolarHBondContact O-N 3.39Å
162L94Very high92.3Very high3 Ų330 Ų302%0.01616%0.159CC..Hα-helixtrans-65.9-37.1175.2-70.2171.9000112.4T126 Y130 G158 F159 I160 A165 S166 M173 M176T126-L162 HydrophobicContact CG2-CD2 3.95Å; T126-L162 HydrophobicContact CG2-CG 3.87Å; Y130-L162 HydrophobicContact CD2-CD2 4.16Å; Y130-L162 HydrophobicContact CE2-CD2 4.01Å; G158-L162 WeakPolarHBondContact O-CG 3.43Å; G158-L162 PolarHBondContact O-N 3.38Å; G158-L162 VanDerWaalsContact O-N 3.09Å; F159-L162 PolarHBondContact O-N 3.07Å; I160-L162 VanDerWaalsContact C-N 3.3Å; I160-L162 PolarHBondContact O-N 3.36Å; L162-A165 PolarHBondContact O-N 3.05Å; L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 PolarHBondContact O-OG 2.89Å; L162-M173 HydrophobicContact CB-CE 3.65Å; L162-M173 HydrophobicContact CB-SD 3.5Å; L162-M173 WeakPolarHBondContact CB-SD 3.47Å; L162-M173 HydrophobicContact CD1-SD 4.23Å; L162-M173 HydrophobicContact CG-SD 4.39Å; L162-M176 HydrophobicContact CD2-CB 4.03Å; L162-M176 HydrophobicContact CD2-SD 4.2Å
163H93.7Very high91.9Very high30 Ų3032.5 Ų32.514%0.13917%0.171CC..Hα-helixtrans-61.9-46174.5-85.8-78.1000111.1L97 S100 L101 H104 F159 I160 S166 N167 M173L97-H163 HydrophobicContact CD1-CB 4.36Å; S100-H163 PolarHBondContact O-CE1 2.73Å; L101-H163 HydrophobicContact CD1-CB 4.13Å; H104-H163 AromaticContact CG-CD2 3.85Å; H104-H163 AromaticContact CG-NE2 3.62Å; H104-H163 AromaticContact ND1-NE2 3.73Å; F159-H163 PolarHBondContact O-CD2 3.24Å; F159-H163 VanDerWaalsContact O-CD2 3.31Å; F159-H163 PolarHBondContact O-N 2.74Å; I160-H163 WeakPolarHBondContact O-CB 3.26Å; I160-H163 PolarHBondContact O-N 2.89Å; I160-H163 VanDerWaalsContact O-N 3.1Å; H163-S166 PolarHBondContact O-OG 3.42Å; H163-N167 PolarHBondContact O-ND2 3.27Å; H163-M173 HydrophobicContact CB-CE 4.14Å; H163-M173 VanDerWaalsContact N-CE 3.29Å
164I94.6Very high91.5Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-61.5-51.7176.1-64.1167.2000109.8I85 M90 A133 I136 A137 I160 A161 S166 N167 T168I85-I164 HydrophobicContact CD1-CD1 3.97Å; I85-I164 HydrophobicContact CD1-CG1 4.06Å; I85-I164 HydrophobicContact CG1-CD1 4.08Å; I85-I164 HydrophobicContact CG1-CG1 4.48Å; I85-I164 HydrophobicContact CG2-CD1 4.45Å; I85-I164 HydrophobicContact CG2-CG1 4.26Å; I85-I164 HydrophobicContact CG2-CG2 4.42Å; M90-I164 HydrophobicContact CE-CG2 4.09Å; M90-I164 HydrophobicContact SD-CG2 3.67Å; A133-I164 HydrophobicContact CB-CB 4.06Å; A133-I164 HydrophobicContact CB-CG2 3.84Å; I136-I164 HydrophobicContact CB-CD1 4.27Å; I136-I164 HydrophobicContact CG2-CD1 3.8Å; A137-I164 HydrophobicContact CB-CD1 4.22Å; I160-I164 HydrophobicContact CG2-CD1 3.89Å; I160-I164 HydrophobicContact CG2-CG1 4.4Å; I160-I164 WeakPolarHBondContact O-CG1 3.48Å; I160-I164 PolarHBondContact O-N 2.84Å; A161-I164 PolarHBondContact O-N 2.87Å; I164-S166 PolarHBondContact O-N 3.14Å; I164-N167 PolarHBondContact O-N 3.03Å; I164-N167 VanDerWaalsContact O-N 3.07Å; I164-T168 PolarHBondContact O-N 2.77Å; I164-T168 PolarHBondContact O-OG1 2.9Å
165A92.9Very high91.3Very high1 Ų132.4 Ų32.41%0.00817%0.169CC..Hα-helixtrans-60.2-42-177.300000112.6Y130 A133 A161 L162 N167 T168 E169 M176Y130-A165 HydrophobicContact CD1-CB 3.74Å; Y130-A165 HydrophobicContact CD2-CB 4.31Å; Y130-A165 HydrophobicContact CE1-CB 4.24Å; Y130-A165 HydrophobicContact CG-CB 3.77Å; A133-A165 HydrophobicContact CB-CB 4.16Å; A161-A165 VanDerWaalsContact O-CB 3.26Å; A161-A165 WeakPolarHBondContact O-CB 3.18Å; A161-A165 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 3.05Å; A165-N167 PolarHBondContact O-N 3.38Å; A165-N167 VanDerWaalsContact O-N 3.14Å; A165-T168 WeakPolarHBondContact CA-OG1 3.48Å; A165-T168 PolarHBondContact O-N 3.22Å; A165-T168 PolarHBondContact O-OG1 3.35Å; A165-E169 WeakPolarHBondContact O-CB 3.42Å; A165-E169 WeakPolarHBondContact O-CG 3.36Å; A165-E169 PolarHBondContact O-N 3.27Å; A165-M176 VanDerWaalsContact C-CE 3.46Å; A165-M176 HydrophobicContact CB-CE 3.83Å; A165-M176 HydrophobicContact CB-SD 3.86Å; A165-M176 WeakPolarHBondContact O-CE 3.5Å
166S91.4Very high91.1Very high26 Ų2630.6 Ų30.618%0.18216%0.159CC..Hα-helixtrans-66.6-14179.372.70000114.2L162 H163 I164L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 PolarHBondContact O-OG 2.89Å; H163-S166 PolarHBondContact O-OG 3.42Å; I164-S166 PolarHBondContact O-N 3.14Å
167N90.3Very high90.9Very high16 Ų1632.9 Ų32.99%0.08617%0.173CC..THydrogen-bonded Turntrans-103.65.2175.3-71.4-82.2000112.4V92 D93 Q96 L97 H163 I164 A165V92-N167 WeakPolarHBondContact CA-O 3.4Å; V92-N167 HydrophobicContact CG1-CB 3.69Å; D93-N167 PolarHBondContact N-O 3.01Å; Q96-N167 WeakPolarHBondContact CB-OD1 3.4Å; Q96-N167 WeakPolarHBondContact CG-OD1 3.39Å; L97-N167 HydrophobicContact CB-CB 4.2Å; L97-N167 HydrophobicContact CD1-CB 4.5Å; L97-N167 PolarHBondContact N-OD1 3.44Å; H163-N167 PolarHBondContact O-ND2 3.27Å; I164-N167 PolarHBondContact O-N 3.03Å; I164-N167 VanDerWaalsContact O-N 3.07Å; A165-N167 PolarHBondContact O-N 3.38Å; A165-N167 VanDerWaalsContact O-N 3.14Å
168T86.3Confident90.6Very high42 Ų4234.4 Ų34.426%0.25818%0.181SC..THydrogen-bonded Turntrans-123.2-27.917756.90000112.7M90 V92 I164 A165M90-T168 HydrophobicContact CB-CG2 4.25Å; M90-T168 HydrophobicContact CE-CG2 3.68Å; V92-T168 HydrophobicContact CB-CG2 4.08Å; V92-T168 HydrophobicContact CG1-CG2 4.36Å; V92-T168 HydrophobicContact CG2-CG2 3.53Å; I164-T168 PolarHBondContact O-N 2.77Å; I164-T168 PolarHBondContact O-OG1 2.9Å; A165-T168 WeakPolarHBondContact CA-OG1 3.48Å; A165-T168 PolarHBondContact O-N 3.22Å; A165-T168 PolarHBondContact O-OG1 3.35Å
169E80.6Confident90.6Very high78 Ų7834.4 Ų34.436%0.36418%0.181SC..SBendtrans-97.3159.3-179.3-64.4-67.9159.200112.1Y130 A165 L171 M176Y130-E169 HydrophobicContact CD1-CG 4.41Å; Y130-E169 HydrophobicContact CE1-CG 4.13Å; A165-E169 WeakPolarHBondContact O-CB 3.42Å; A165-E169 WeakPolarHBondContact O-CG 3.36Å; A165-E169 PolarHBondContact O-N 3.27Å; E169-L171 HydrophobicContact CB-CB 4.45Å; E169-L171 PolarHBondContact O-N 2.97Å; E169-M176 HydrophobicContact CB-CE 3.5Å; E169-M176 HydrophobicContact CG-CE 3.76Å
170D82.2Confident90.4Very high113 Ų11332.1 Ų32.160%0.60417%0.171SC*.SBendtrans-78.335.8170.8-171.433.3000111.9R221D170-R221 IonicContact OD2-CZ 3.68Å; D170-R221 IonicContact OD2-NH2 3.6Å; D170-R221 PolarHBondContact OD2-NH2 3.35Å
171L84.6Confident90.3Very high5 Ų534 Ų343%0.02618%0.181CC..SBendtrans-136.9128.8-179-70.4174.5000109.4E169 E175 M176 I179 R217E169-L171 HydrophobicContact CB-CB 4.45Å; E169-L171 PolarHBondContact O-N 2.97Å; L171-E175 HydrophobicContact CD2-CB 4.24Å; L171-M176 HydrophobicContact CB-CE 3.8Å; L171-M176 HydrophobicContact CB-CG 3.97Å; L171-I179 HydrophobicContact CD1-CD1 3.78Å; L171-I179 HydrophobicContact CD2-CD1 4.35Å; L171-R217 HydrophobicContact CD1-CG 4.39Å; L171-R217 HydrophobicContact CD2-CG 4.3Å
172S87.3Confident90.3Very high53 Ų5334.1 Ų34.137%0.37118%0.182SC..  trans-68.3155.5170.567.20000111.5H174 E175 M176S172-H174 PolarHBondContact O-N 3.41Å; S172-E175 WeakPolarHBondContact CB-OE2 3.43Å; S172-E175 PolarHBondContact N-OE2 2.94Å; S172-E175 PolarHBondContact O-N 3.22Å; S172-E175 VanDerWaalsContact OG-CG 3.25Å; S172-E175 WeakPolarHBondContact OG-CG 3.25Å; S172-E175 PolarHBondContact OG-N 3.28Å; S172-E175 PolarHBondContact OG-OE2 2.88Å; S172-M176 WeakPolarHBondContact O-CG 3.49Å; S172-M176 PolarHBondContact O-N 2.94Å
173M87.7Confident90.4Very high54 Ų5434 Ų3427%0.26618%0.181SC..Hα-helixtrans-49.5-41173.117665.382.800112.9L162 H163 M176 T177L162-M173 HydrophobicContact CB-CE 3.65Å; L162-M173 HydrophobicContact CB-SD 3.5Å; L162-M173 WeakPolarHBondContact CB-SD 3.47Å; L162-M173 HydrophobicContact CD1-SD 4.23Å; L162-M173 HydrophobicContact CG-SD 4.39Å; H163-M173 HydrophobicContact CB-CE 4.14Å; H163-M173 VanDerWaalsContact N-CE 3.29Å; M173-M176 PolarHBondContact O-N 3.42Å; M173-T177 PolarHBondContact O-N 3.46Å; M173-T177 PolarHBondContact O-OG1 3.34Å
174H89.1Confident90.4Very high129 Ų12935.9 Ų35.960%0.59719%0.189SC*.Hα-helixtrans-63.1-45.1178.4-178.364.4000111.6S172 T177 L178S172-H174 PolarHBondContact O-N 3.41Å; H174-T177 WeakPolarHBondContact O-CB 3.21Å; H174-T177 PolarHBondContact O-N 2.98Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.43Å; H174-L178 WeakPolarHBondContact O-CG 3.4Å; H174-L178 PolarHBondContact O-N 2.8Å
175E89.8Confident90.5Very high36 Ų3640.2 Ų40.217%0.16821%0.208CC..Hα-helixtrans-66.6-40.9178.9-68156.9153.700111.7L171 S172 T177 L178 I179 R220L171-E175 HydrophobicContact CD2-CB 4.24Å; S172-E175 WeakPolarHBondContact CB-OE2 3.43Å; S172-E175 PolarHBondContact N-OE2 2.94Å; S172-E175 PolarHBondContact O-N 3.22Å; S172-E175 VanDerWaalsContact OG-CG 3.25Å; S172-E175 WeakPolarHBondContact OG-CG 3.25Å; S172-E175 PolarHBondContact OG-N 3.28Å; S172-E175 PolarHBondContact OG-OE2 2.88Å; E175-T177 VanDerWaalsContact C-N 3.29Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-L178 PolarHBondContact O-N 3.18Å; E175-I179 VanDerWaalsContact O-CG1 3.26Å; E175-I179 WeakPolarHBondContact O-CG1 3.07Å; E175-I179 PolarHBondContact O-N 3.43Å; E175-R220 IonicContact OE1-CZ 2.81Å; E175-R220 IonicContact OE1-NH1 2.94Å; E175-R220 PolarHBondContact OE1-NH1 3.02Å; E175-R220 IonicContact OE1-NH2 2.7Å; E175-R220 PolarHBondContact OE1-NH2 3.33Å; E175-R220 IonicContact OE2-NH1 3.92Å
176M91.6Very high90.7Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-58.9-42.7174.1-63-170.3169.300111.4Y130 L162 A165 E169 L171 S172 M173 I179 N180Y130-M176 HydrophobicContact CE1-CE 3.81Å; Y130-M176 HydrophobicContact CE1-SD 4.18Å; Y130-M176 HydrophobicContact CE2-CB 4.47Å; Y130-M176 HydrophobicContact CE2-CG 4.43Å; Y130-M176 HydrophobicContact CE2-SD 4.04Å; Y130-M176 VanDerWaalsContact OH-CG 3.32Å; Y130-M176 WeakPolarHBondContact OH-CG 3.41Å; L162-M176 HydrophobicContact CD2-CB 4.03Å; L162-M176 HydrophobicContact CD2-SD 4.2Å; A165-M176 VanDerWaalsContact C-CE 3.46Å; A165-M176 HydrophobicContact CB-CE 3.83Å; A165-M176 HydrophobicContact CB-SD 3.86Å; A165-M176 WeakPolarHBondContact O-CE 3.5Å; E169-M176 HydrophobicContact CB-CE 3.5Å; E169-M176 HydrophobicContact CG-CE 3.76Å; L171-M176 HydrophobicContact CB-CE 3.8Å; L171-M176 HydrophobicContact CB-CG 3.97Å; S172-M176 WeakPolarHBondContact O-CG 3.49Å; S172-M176 PolarHBondContact O-N 2.94Å; M173-M176 PolarHBondContact O-N 3.42Å; M176-I179 PolarHBondContact O-N 2.95Å; M176-N180 PolarHBondContact O-N 3.17Å
177T91.8Very high90.9Very high50 Ų5039 Ų3931%0.30720%0.199SC..Hα-helixtrans-64-42.3176.4-56.90000111.8F122 M173 H174 E175 N180 N181F122-T177 HydrophobicContact CE2-CG2 3.99Å; M173-T177 PolarHBondContact O-N 3.46Å; M173-T177 PolarHBondContact O-OG1 3.34Å; H174-T177 WeakPolarHBondContact O-CB 3.21Å; H174-T177 PolarHBondContact O-N 2.98Å; E175-T177 VanDerWaalsContact C-N 3.29Å; E175-T177 PolarHBondContact O-N 3.02Å; T177-N180 PolarHBondContact O-N 2.76Å; T177-N181 WeakPolarHBondContact O-CB 3.17Å; T177-N181 PolarHBondContact O-N 3.33Å
178L92.6Very high91.2Very high39 Ų3941.9 Ų41.920%0.20422%0.215CC..Hα-helixtrans-62.8-42.9175.2-72.2177.5000111.9H174 E175 N181 V182 F257H174-L178 WeakPolarHBondContact NE2-CD1 3.43Å; H174-L178 WeakPolarHBondContact O-CG 3.4Å; H174-L178 PolarHBondContact O-N 2.8Å; E175-L178 PolarHBondContact O-N 3.18Å; L178-N181 PolarHBondContact O-N 3.24Å; L178-V182 PolarHBondContact O-N 2.76Å; L178-F257 HydrophobicContact CB-CE1 4.04Å; L178-F257 HydrophobicContact CB-CE2 4.32Å; L178-F257 HydrophobicContact CB-CZ 3.54Å; L178-F257 HydrophobicContact CD1-CE1 4.25Å; L178-F257 HydrophobicContact CD1-CZ 4.43Å
179I93.7Very high91.7Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-60.5-48.7176.6-69.6166.4000110.1L129 L171 E175 M176 N181 V182 I183 Q213 I216 F257L129-I179 HydrophobicContact CD1-CG2 4.31Å; L171-I179 HydrophobicContact CD1-CD1 3.78Å; L171-I179 HydrophobicContact CD2-CD1 4.35Å; E175-I179 VanDerWaalsContact O-CG1 3.26Å; E175-I179 WeakPolarHBondContact O-CG1 3.07Å; E175-I179 PolarHBondContact O-N 3.43Å; M176-I179 PolarHBondContact O-N 2.95Å; I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.05Å; I179-V182 WeakPolarHBondContact O-CB 3.33Å; I179-V182 PolarHBondContact O-N 2.79Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.92Å; I179-Q213 HydrophobicContact CD1-CG 4.3Å; I179-Q213 HydrophobicContact CG2-CB 4.23Å; I179-Q213 HydrophobicContact CG2-CG 4.29Å; I179-I216 HydrophobicContact CB-CD1 4.48Å; I179-I216 HydrophobicContact CD1-CG2 4.33Å; I179-I216 HydrophobicContact CG1-CD1 3.85Å; I179-I216 HydrophobicContact CG1-CG2 4.16Å; I179-I216 HydrophobicContact CG2-CD1 4.46Å; I179-F257 HydrophobicContact CG1-CE1 4.3Å; I179-F257 HydrophobicContact CG1-CZ 3.8Å
180N92.6Very high92.5Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-59.6-39.5177.4-73.9-9000112.1F122 E125 T126 M176 T177 I183 K184F122-N180 HydrophobicContact CB-CB 3.84Å; F122-N180 HydrophobicContact CD1-CB 3.72Å; F122-N180 HydrophobicContact CD2-CB 4.09Å; F122-N180 HydrophobicContact CE1-CB 4.28Å; F122-N180 HydrophobicContact CG-CB 3.62Å; E125-N180 HydrophobicContact CB-CB 4.28Å; T126-N180 PolarHBondContact OG1-ND2 3.12Å; M176-N180 PolarHBondContact O-N 3.17Å; T177-N180 PolarHBondContact O-N 2.76Å; N180-I183 PolarHBondContact O-N 2.94Å; N180-K184 WeakPolarHBondContact O-CB 3.28Å; N180-K184 PolarHBondContact O-N 2.63Å
181N93.5Very high93.1Very high40 Ų4035.3 Ų35.321%0.21418%0.178CC..Hα-helixtrans-66.7-39.7175.7-179.157.2000113F122 T177 L178 I179 I183 K185F122-N181 HydrophobicContact CE1-CB 4.2Å; F122-N181 HydrophobicContact CZ-CB 3.95Å; T177-N181 WeakPolarHBondContact O-CB 3.17Å; T177-N181 PolarHBondContact O-N 3.33Å; L178-N181 PolarHBondContact O-N 3.24Å; I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.05Å; N181-I183 VanDerWaalsContact C-N 3.35Å; N181-K185 WeakPolarHBondContact O-CB 3.29Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.04Å; N181-K185 WeakPolarHBondContact OD1-CE 3.29Å
182V95.6Very high93.7Very high1 Ų139.2 Ų39.21%0.00621%0.206CC..Hα-helixtrans-61.6-44.8172.31620000110.8L178 I179 G186 V212 I216 M252 I253 Q256 F257L178-V182 PolarHBondContact O-N 2.76Å; I179-V182 WeakPolarHBondContact O-CB 3.33Å; I179-V182 PolarHBondContact O-N 2.79Å; V182-G186 WeakPolarHBondContact O-CA 3.41Å; V182-G186 PolarHBondContact O-N 2.82Å; V182-V212 HydrophobicContact CG1-CG1 3.79Å; V182-I216 HydrophobicContact CG1-CD1 4.32Å; V182-M252 HydrophobicContact CB-CE 4.28Å; V182-M252 HydrophobicContact CG1-CE 4.03Å; V182-M252 HydrophobicContact CG2-CE 4.34Å; V182-M252 WeakPolarHBondContact O-CE 3.31Å; V182-I253 HydrophobicContact CG1-CD1 3.91Å; V182-I253 HydrophobicContact CG1-CG1 3.51Å; V182-I253 HydrophobicContact CG2-CG1 4.34Å; V182-Q256 VanDerWaalsContact CG2-OE1 3.28Å; V182-F257 HydrophobicContact CG2-CE2 3.9Å
183I96.1Very high94.2Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-60.3-53.1178.8-72.6162.2000110E125 L129 I179 N180 N181 K185 G186 I187 I209 V212E125-I183 HydrophobicContact CG-CB 4.15Å; E125-I183 HydrophobicContact CG-CG2 3.58Å; L129-I183 HydrophobicContact CD1-CD1 3.78Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.92Å; N180-I183 PolarHBondContact O-N 2.94Å; N181-I183 VanDerWaalsContact C-N 3.35Å; I183-K185 PolarHBondContact O-N 3.01Å; I183-G186 PolarHBondContact O-N 3.03Å; I183-G186 VanDerWaalsContact O-N 3.11Å; I183-I187 WeakPolarHBondContact O-CG1 3.34Å; I183-I187 PolarHBondContact O-N 3.24Å; I183-I209 HydrophobicContact CD1-CB 3.86Å; I183-I209 HydrophobicContact CD1-CG2 4.18Å; I183-I209 HydrophobicContact CG1-CB 4.41Å; I183-I209 HydrophobicContact CG1-CG2 4.39Å; I183-I209 HydrophobicContact CG2-CB 4.37Å; I183-I209 HydrophobicContact CG2-CG2 3.49Å; I183-I209 VanDerWaalsContact CG2-CG2 3.49Å; I183-V212 HydrophobicContact CG1-CB 4.14Å; I183-V212 HydrophobicContact CG1-CG1 3.85Å
184K94.4Very high94.5Very high71 Ų7137 Ų3731%0.30919%0.191SC..Hα-helixtrans-54.6-53.5-180-179.3175.8178.4173.60111.8F122 N180 G186 I187 D188F122-K184 HydrophobicContact CD1-CD 4.35Å; F122-K184 HydrophobicContact CE1-CB 4.29Å; F122-K184 HydrophobicContact CE1-CD 3.98Å; N180-K184 WeakPolarHBondContact O-CB 3.28Å; N180-K184 PolarHBondContact O-N 2.63Å; K184-G186 VanDerWaalsContact C-N 3.29Å; K184-G186 PolarHBondContact O-N 3.37Å; K184-I187 PolarHBondContact O-N 3.01Å; K184-D188 VanDerWaalsContact O-CG 3.28Å; K184-D188 PolarHBondContact O-N 3.48Å
185K96.1Very high94.7Very high90 Ų9037.1 Ų37.139%0.39120%0.2SC..Hα-helixtrans-64.6-33.6178.2-71.1-179.5-179.9-175.60112.8N181 I183 I187 D188 I189 M252N181-K185 WeakPolarHBondContact O-CB 3.29Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 3.04Å; N181-K185 WeakPolarHBondContact OD1-CE 3.29Å; I183-K185 PolarHBondContact O-N 3.01Å; K185-I187 VanDerWaalsContact C-N 3.33Å; K185-D188 PolarHBondContact O-N 2.86Å; K185-I189 WeakPolarHBondContact O-CD1 3.19Å; K185-I189 VanDerWaalsContact O-CG1 3.24Å; K185-I189 WeakPolarHBondContact O-CG1 3.37Å; K185-I189 PolarHBondContact O-N 3.01Å; K185-M252 HydrophobicContact CB-CE 3.79Å; K185-M252 HydrophobicContact CB-SD 3.68Å; K185-M252 HydrophobicContact CD-SD 3.7Å; K185-M252 HydrophobicContact CG-SD 4.36Å
186G97Very high94.8Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-64.5-40.6176.400000111.6V182 I183 K184 I189 I190 I249V182-G186 WeakPolarHBondContact O-CA 3.41Å; V182-G186 PolarHBondContact O-N 2.82Å; I183-G186 PolarHBondContact O-N 3.03Å; I183-G186 VanDerWaalsContact O-N 3.11Å; K184-G186 VanDerWaalsContact C-N 3.29Å; K184-G186 PolarHBondContact O-N 3.37Å; G186-I189 PolarHBondContact O-N 2.9Å; G186-I190 WeakPolarHBondContact O-CD1 3.32Å; G186-I190 VanDerWaalsContact O-CG1 3.25Å; G186-I190 WeakPolarHBondContact O-CG1 3.42Å; G186-I190 PolarHBondContact O-N 3.5Å; G186-I249 WeakPolarHBondContact O-CD1 3.49Å
187I95.9Very high94.8Very high1 Ų142.8 Ų42.81%0.00524%0.237CC..Hα-helixtrans-65.3-45.2172.9-64.4-68.8000110.8I183 K184 K185 I189 I190 E191 V198 Y205 F208 F276I183-I187 WeakPolarHBondContact O-CG1 3.34Å; I183-I187 PolarHBondContact O-N 3.24Å; K184-I187 PolarHBondContact O-N 3.01Å; K185-I187 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.02Å; I187-I190 HydrophobicContact CD1-CD1 4.29Å; I187-I190 PolarHBondContact O-N 2.98Å; I187-E191 HydrophobicContact CG2-CG 4.14Å; I187-E191 WeakPolarHBondContact O-CB 3.44Å; I187-E191 WeakPolarHBondContact O-CG 3.35Å; I187-E191 PolarHBondContact O-N 2.98Å; I187-V198 HydrophobicContact CD1-CG1 4.08Å; I187-V198 HydrophobicContact CD1-CG2 4.41Å; I187-V198 HydrophobicContact CG2-CB 4Å; I187-V198 HydrophobicContact CG2-CG1 4.49Å; I187-V198 HydrophobicContact CG2-CG2 4.19Å; I187-Y205 HydrophobicContact CD1-CD2 3.79Å; I187-Y205 HydrophobicContact CD1-CE2 3.94Å; I187-Y205 HydrophobicContact CG1-CD2 4.27Å; I187-Y205 HydrophobicContact CG1-CE2 3.89Å; I187-F208 HydrophobicContact CD1-CD1 3.74Å; I187-F208 HydrophobicContact CD1-CE1 3.75Å; I187-F208 HydrophobicContact CG1-CD1 4.38Å; I187-F208 HydrophobicContact CG1-CE1 4.04Å; I187-F276 HydrophobicContact CD1-CZ 4.49Å
188D96.2Very high94.9Very high78 Ų7841 Ų4142%0.41723%0.227SC..Hα-helixtrans-56.5-39.4175.6-58.5-25.7000111.3K184 K185 S192K184-D188 VanDerWaalsContact O-CG 3.28Å; K184-D188 PolarHBondContact O-N 3.48Å; K185-D188 PolarHBondContact O-N 2.86Å; D188-S192 VanDerWaalsContact O-CB 3.27Å; D188-S192 WeakPolarHBondContact O-CB 3.27Å; D188-S192 PolarHBondContact O-N 2.9Å
189I97.5Very high94.8Very high41 Ų4142.8 Ų42.821%0.2124%0.236CC..Hα-helixtrans-67.5-42.5175.4-68.9163.8000111.4K185 G186 I187 S192 D193 T245 K248 I249K185-I189 WeakPolarHBondContact O-CD1 3.19Å; K185-I189 VanDerWaalsContact O-CG1 3.24Å; K185-I189 WeakPolarHBondContact O-CG1 3.37Å; K185-I189 PolarHBondContact O-N 3.01Å; G186-I189 PolarHBondContact O-N 2.9Å; I187-I189 PolarHBondContact O-N 3.02Å; I189-S192 PolarHBondContact O-N 3.11Å; I189-D193 VanDerWaalsContact O-CB 3.29Å; I189-D193 WeakPolarHBondContact O-CB 3.4Å; I189-D193 PolarHBondContact O-N 2.79Å; I189-T245 HydrophobicContact CG2-CG2 3.81Å; I189-K248 HydrophobicContact CG2-CB 4.18Å; I189-K248 HydrophobicContact CG2-CD 4.05Å; I189-I249 HydrophobicContact CB-CG1 4.35Å; I189-I249 HydrophobicContact CD1-CG1 4.2Å; I189-I249 HydrophobicContact CG2-CG1 4.16Å
190I96.9Very high94.7Very high0 Ų046.4 Ų46.40%025%0.252CS..Hα-helixtrans-63.1-49.4177.6-71.2162.2000110.7G186 I187 S192 D193 L194 V198 F208 T245 I249 I273 F276G186-I190 WeakPolarHBondContact O-CD1 3.32Å; G186-I190 VanDerWaalsContact O-CG1 3.25Å; G186-I190 WeakPolarHBondContact O-CG1 3.42Å; G186-I190 PolarHBondContact O-N 3.5Å; I187-I190 HydrophobicContact CD1-CD1 4.29Å; I187-I190 PolarHBondContact O-N 2.98Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 3.05Å; I190-D193 PolarHBondContact O-N 2.93Å; I190-L194 HydrophobicContact CG2-CD1 3.85Å; I190-L194 HydrophobicContact CG2-CG 4.4Å; I190-L194 VanDerWaalsContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 3.34Å; I190-V198 HydrophobicContact CG2-CG2 4.13Å; I190-F208 HydrophobicContact CD1-CD2 4.21Å; I190-F208 HydrophobicContact CD1-CE1 4.29Å; I190-F208 HydrophobicContact CD1-CE2 3.59Å; I190-F208 HydrophobicContact CD1-CZ 3.64Å; I190-T245 HydrophobicContact CB-CG2 4.46Å; I190-T245 HydrophobicContact CG1-CG2 3.8Å; I190-I249 HydrophobicContact CD1-CD1 3.95Å; I190-I249 HydrophobicContact CG1-CD1 3.88Å; I190-I273 HydrophobicContact CD1-CD1 4.48Å; I190-I273 HydrophobicContact CD1-CG1 3.98Å; I190-I273 HydrophobicContact CG1-CD1 4.3Å; I190-I273 HydrophobicContact CG1-CG1 4.13Å; I190-I273 HydrophobicContact CG1-CG2 4.3Å; I190-F276 HydrophobicContact CD1-CD2 4.43Å; I190-F276 HydrophobicContact CD1-CE2 4.29Å; I190-F276 HydrophobicContact CG2-CB 4.29Å; I190-F276 HydrophobicContact CG2-CD2 4.18Å; I190-F276 HydrophobicContact CG2-CG 4.33Å
191E96Very high94.5Very high54 Ų5453.6 Ų53.625%0.25229%0.286SS..Hα-helixtrans-59.8-42.8178.9-72.4-174.814900111.4I187 V195 T196 V198I187-E191 HydrophobicContact CG2-CG 4.14Å; I187-E191 WeakPolarHBondContact O-CB 3.44Å; I187-E191 WeakPolarHBondContact O-CG 3.35Å; I187-E191 PolarHBondContact O-N 2.98Å; E191-V195 VanDerWaalsContact O-CA 3.28Å; E191-V195 WeakPolarHBondContact O-CA 3.49Å; E191-V195 PolarHBondContact O-N 3.38Å; E191-T196 VanDerWaalsContact CA-O 3.29Å; E191-T196 WeakPolarHBondContact CA-O 3.24Å; E191-T196 WeakPolarHBondContact CB-O 3.45Å; E191-T196 WeakPolarHBondContact CG-O 3.39Å; E191-T196 PolarHBondContact O-N 3.17Å; E191-V198 HydrophobicContact CG-CB 4.25Å; E191-V198 HydrophobicContact CG-CG2 3.8Å; E191-V198 PolarHBondContact OE1-N 2.88Å
192S96.7Very high94.5Very high86 Ų8652 Ų5260%0.60128%0.278SS*.Hα-helixtrans-68.8-45.8177.9-176.90000113.2D188 I189 I190D188-S192 VanDerWaalsContact O-CB 3.27Å; D188-S192 WeakPolarHBondContact O-CB 3.27Å; D188-S192 PolarHBondContact O-N 2.9Å; I189-S192 PolarHBondContact O-N 3.11Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 3.05Å
193D96.7Very high94.2Very high41 Ų4155.8 Ų55.822%0.21930%0.298CS..Hα-helixtrans-76.4-34.8-174.5-79.4-6.4000112.4I189 I190 T245 K248I189-D193 VanDerWaalsContact O-CB 3.29Å; I189-D193 WeakPolarHBondContact O-CB 3.4Å; I189-D193 PolarHBondContact O-N 2.79Å; I190-D193 PolarHBondContact O-N 2.93Å; D193-T245 HydrophobicContact CB-CG2 4.15Å; D193-T245 WeakPolarHBondContact CB-OG1 3.46Å; D193-T245 PolarHBondContact OD2-OG1 3.22Å; D193-K248 IonicContact OD1-NZ 3.72Å; D193-K248 PolarHBondContact OD1-NZ 3.46Å; D193-K248 IonicContact OD2-NZ 3.98Å; D193-K248 PolarHBondContact OD2-NZ 2.92Å
194L94.2Very high94.1Very high20 Ų2058 Ų5811%0.10531%0.308CS..Hα-helixtrans-92.1-4178.4-57.5-174.4000113.3I190 T196 I241 I273 F276 E277I190-L194 HydrophobicContact CG2-CD1 3.85Å; I190-L194 HydrophobicContact CG2-CG 4.4Å; I190-L194 VanDerWaalsContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CB 3.29Å; I190-L194 WeakPolarHBondContact O-CG 3.49Å; I190-L194 PolarHBondContact O-N 3.34Å; L194-T196 HydrophobicContact CB-CG2 3.89Å; L194-T196 PolarHBondContact O-N 2.9Å; L194-I241 HydrophobicContact CD2-CG2 3.69Å; L194-I273 HydrophobicContact CD1-CG2 3.92Å; L194-F276 HydrophobicContact CD1-CB 4.24Å; L194-E277 HydrophobicContact CD1-CB 4.34Å
195V93.5Very high94Very high132 Ų13254.7 Ų54.780%0.829%0.293SS*.THydrogen-bonded Turntrans5354.5-177.9-165.50000111E191E191-V195 VanDerWaalsContact O-CA 3.28Å; E191-V195 WeakPolarHBondContact O-CA 3.49Å; E191-V195 PolarHBondContact O-N 3.38Å
196T91.5Very high93.9Very high34 Ų3453.2 Ų53.221%0.20929%0.288CS..  trans-142.2171.8-175.1-165.20000111.6E191 L194 I280E191-T196 VanDerWaalsContact CA-O 3.29Å; E191-T196 WeakPolarHBondContact CA-O 3.24Å; E191-T196 WeakPolarHBondContact CB-O 3.45Å; E191-T196 WeakPolarHBondContact CG-O 3.39Å; E191-T196 PolarHBondContact O-N 3.17Å; L194-T196 HydrophobicContact CB-CG2 3.89Å; L194-T196 PolarHBondContact O-N 2.9Å; T196-I280 VanDerWaalsContact CB-CD1 3.5Å; T196-I280 HydrophobicContact CG2-CD1 4.09Å
197T92.6Very high93.7Very high120 Ų12059.9 Ų59.974%0.73631%0.313SS*.  trans-114.3131.2169.856.50000109.3
198V92.8Very high93.7Very high13 Ų1359.9 Ų59.98%0.07931%0.313CS..  trans-90119178.5175.60000110I187 I190 E191 K200 Y205 F276I187-V198 HydrophobicContact CD1-CG1 4.08Å; I187-V198 HydrophobicContact CD1-CG2 4.41Å; I187-V198 HydrophobicContact CG2-CB 4Å; I187-V198 HydrophobicContact CG2-CG1 4.49Å; I187-V198 HydrophobicContact CG2-CG2 4.19Å; I190-V198 HydrophobicContact CG2-CG2 4.13Å; E191-V198 HydrophobicContact CG-CB 4.25Å; E191-V198 HydrophobicContact CG-CG2 3.8Å; E191-V198 PolarHBondContact OE1-N 2.88Å; V198-K200 PolarHBondContact O-N 2.66Å; V198-Y205 HydrophobicContact CG1-CD2 3.9Å; V198-F276 HydrophobicContact CB-CE1 4.48Å; V198-F276 HydrophobicContact CG1-CD1 3.91Å; V198-F276 HydrophobicContact CG1-CE1 3.47Å; V198-F276 VanDerWaalsContact CG1-CE1 3.47Å; V198-F276 HydrophobicContact CG1-CZ 4.27Å; V198-F276 HydrophobicContact CG2-CD1 3.89Å; V198-F276 HydrophobicContact CG2-CE1 4.17Å; V198-F276 HydrophobicContact CG2-CG 4.36Å
199D92.2Very high93.6Very high76 Ų7656.1 Ų56.141%0.40629%0.293SS..  trans-67.7108.8167.6171.912.5000110.1E201 S202 Y205 R279D199-E201 PolarHBondContact O-N 2.73Å; D199-E201 PolarHBondContact OD1-N 3.22Å; D199-S202 WeakPolarHBondContact O-CB 3.5Å; D199-S202 PolarHBondContact O-N 2.61Å; D199-S202 VanDerWaalsContact O-N 3.12Å; D199-S202 PolarHBondContact O-OG 2.71Å; D199-S202 PolarHBondContact OD1-N 3.02Å; D199-S202 WeakPolarHBondContact OD2-CB 3.35Å; D199-Y205 WeakPolarHBondContact O-CB 3.26Å; D199-R279 IonicContact OD2-NH1 2.75Å
200K90.8Very high93.3Very high76 Ų7661.2 Ų61.233%0.3331%0.31SS..THydrogen-bonded Turntrans-73.8-9.3-178.2-60.5-173.3-178.2-174.20113.9M124 V198 Y205M124-K200 HydrophobicContact CG-CD 4.45Å; V198-K200 PolarHBondContact O-N 2.66Å; K200-Y205 HydrophobicContact CB-CD1 4.3Å; K200-Y205 HydrophobicContact CB-CD2 4.38Å; K200-Y205 HydrophobicContact CB-CE1 4.2Å; K200-Y205 HydrophobicContact CB-CE2 4.27Å; K200-Y205 HydrophobicContact CB-CG 4.38Å; K200-Y205 HydrophobicContact CD-CE2 4.41Å; K200-Y205 HydrophobicContact CG-CD2 4.19Å; K200-Y205 HydrophobicContact CG-CE2 3.9Å; K200-Y205 WeakPolarHBondContact O-CD1 3.4Å
201E89.2Confident93.2Very high151 Ų15162.5 Ų62.571%0.70632%0.315SS*.THydrogen-bonded Turntrans-94.1-8171.9-59.4-172.9169.500111.7D199D199-E201 PolarHBondContact O-N 2.73Å; D199-E201 PolarHBondContact OD1-N 3.22Å
202S91.6Very high93.2Very high7 Ų759.9 Ų59.95%0.04930%0.303CS..SBendtrans-68.5149.7-178.873.30000113.2D199 Q204 Y205 Q206D199-S202 WeakPolarHBondContact O-CB 3.5Å; D199-S202 PolarHBondContact O-N 2.61Å; D199-S202 VanDerWaalsContact O-N 3.12Å; D199-S202 PolarHBondContact O-OG 2.71Å; D199-S202 PolarHBondContact OD1-N 3.02Å; D199-S202 WeakPolarHBondContact OD2-CB 3.35Å; S202-Q204 PolarHBondContact O-N 3.09Å; S202-Y205 PolarHBondContact O-N 3.14Å; S202-Y205 WeakPolarHBondContact OG-CB 3.5Å; S202-Y205 PolarHBondContact OG-N 3.45Å; S202-Y205 VanDerWaalsContact OG-N 3.09Å; S202-Q206 PolarHBondContact O-N 2.9Å; S202-Q206 VanDerWaalsContact O-N 3.08Å
203L91.1Very high93Very high81 Ų8156.9 Ų56.942%0.42428%0.28SS..Hα-helixtrans-59.2-30.9170.2-17757.8000112.2Q206 R207L203-Q206 PolarHBondContact O-N 3.36Å; L203-R207 VanDerWaalsContact O-CG 3.31Å; L203-R207 WeakPolarHBondContact O-CG 3.4Å; L203-R207 PolarHBondContact O-N 3.49Å
204Q92.1Very high92.8Very high47 Ų4760.3 Ų60.322%0.2229%0.293CS..Hα-helixtrans-63.5-47.1175.7-73.473.217.700111.1S202 R207 F208 H275 F276S202-Q204 PolarHBondContact O-N 3.09Å; Q204-R207 PolarHBondContact O-N 3.26Å; Q204-F208 WeakPolarHBondContact O-CB 3.49Å; Q204-F208 PolarHBondContact O-N 3.1Å; Q204-H275 HydrophobicContact CG-CB 4.14Å; Q204-F276 HydrophobicContact CB-CD1 4.08Å; Q204-F276 HydrophobicContact CB-CE1 3.69Å; Q204-F276 HydrophobicContact CB-CZ 4.2Å
205Y93.7Very high92.8Very high0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-59.5-47.5174.1179.1-94.7000111.3E125 Q128 I187 V198 D199 K200 S202 R207 F208 I209E125-Y205 VanDerWaalsContact CG-OH 3.29Å; E125-Y205 WeakPolarHBondContact CG-OH 3.27Å; E125-Y205 PolarHBondContact OE1-OH 3.08Å; Q128-Y205 HydrophobicContact CG-CE1 4.28Å; I187-Y205 HydrophobicContact CD1-CD2 3.79Å; I187-Y205 HydrophobicContact CD1-CE2 3.94Å; I187-Y205 HydrophobicContact CG1-CD2 4.27Å; I187-Y205 HydrophobicContact CG1-CE2 3.89Å; V198-Y205 HydrophobicContact CG1-CD2 3.9Å; D199-Y205 WeakPolarHBondContact O-CB 3.26Å; K200-Y205 HydrophobicContact CB-CD1 4.3Å; K200-Y205 HydrophobicContact CB-CD2 4.38Å; K200-Y205 HydrophobicContact CB-CE1 4.2Å; K200-Y205 HydrophobicContact CB-CE2 4.27Å; K200-Y205 HydrophobicContact CB-CG 4.38Å; K200-Y205 HydrophobicContact CD-CE2 4.41Å; K200-Y205 HydrophobicContact CG-CD2 4.19Å; K200-Y205 HydrophobicContact CG-CE2 3.9Å; K200-Y205 WeakPolarHBondContact O-CD1 3.4Å; S202-Y205 PolarHBondContact O-N 3.14Å; S202-Y205 WeakPolarHBondContact OG-CB 3.5Å; S202-Y205 PolarHBondContact OG-N 3.45Å; S202-Y205 VanDerWaalsContact OG-N 3.09Å; Y205-R207 VanDerWaalsContact C-N 3.32Å; Y205-R207 PolarHBondContact O-N 3.44Å; Y205-F208 WeakPolarHBondContact O-CB 3.31Å; Y205-F208 PolarHBondContact O-N 2.95Å; Y205-F208 VanDerWaalsContact O-N 3.1Å; Y205-I209 HydrophobicContact CD1-CD1 4.48Å; Y205-I209 HydrophobicContact CD1-CG2 4.11Å; Y205-I209 HydrophobicContact CD2-CG2 4.37Å; Y205-I209 HydrophobicContact CE1-CD1 4.19Å; Y205-I209 HydrophobicContact CE1-CG2 3.74Å; Y205-I209 HydrophobicContact CE2-CG2 4.04Å; Y205-I209 HydrophobicContact CG-CG2 4.41Å; Y205-I209 WeakPolarHBondContact O-CG2 3.45Å; Y205-I209 PolarHBondContact O-N 2.96Å
206Q92.6Very high92.8Very high59 Ų5953 Ų5328%0.27625%0.25SC..Hα-helixtrans-57.2-41176.3-70.6-179.7-14.300113.4Q128 S202 L203 I209 R210Q128-Q206 VanDerWaalsContact OE1-CG 3.3Å; S202-Q206 PolarHBondContact O-N 2.9Å; S202-Q206 VanDerWaalsContact O-N 3.08Å; L203-Q206 PolarHBondContact O-N 3.36Å; Q206-I209 VanDerWaalsContact O-CG1 3.26Å; Q206-I209 WeakPolarHBondContact O-CG1 3.3Å; Q206-R210 WeakPolarHBondContact O-CB 3.29Å; Q206-R210 VanDerWaalsContact O-CG 3.3Å; Q206-R210 WeakPolarHBondContact O-CG 3.42Å; Q206-R210 PolarHBondContact O-N 3.28Å
207R93.6Very high92.8Very high140 Ų14054.6 Ų54.653%0.52825%0.252SS..Hα-helixtrans-67.3-41.5176-71.6179.7-152.2-96.28.7111.4L203 Q204 Y205 H211L203-R207 VanDerWaalsContact O-CG 3.31Å; L203-R207 WeakPolarHBondContact O-CG 3.4Å; L203-R207 PolarHBondContact O-N 3.49Å; Q204-R207 PolarHBondContact O-N 3.26Å; Y205-R207 VanDerWaalsContact C-N 3.32Å; Y205-R207 PolarHBondContact O-N 3.44Å; R207-H211 WeakPolarHBondContact O-CB 3.46Å; R207-H211 PolarHBondContact O-N 3.18Å
208F95.3Very high92.8Very high1 Ų150.3 Ų50.30%0.00422%0.222CC..Hα-helixtrans-62.1-51.7179.5175.1-99.3000111.9I187 I190 Q204 Y205 R210 H211 V212 I249 L269 H272 F276I187-F208 HydrophobicContact CD1-CD1 3.74Å; I187-F208 HydrophobicContact CD1-CE1 3.75Å; I187-F208 HydrophobicContact CG1-CD1 4.38Å; I187-F208 HydrophobicContact CG1-CE1 4.04Å; I190-F208 HydrophobicContact CD1-CD2 4.21Å; I190-F208 HydrophobicContact CD1-CE1 4.29Å; I190-F208 HydrophobicContact CD1-CE2 3.59Å; I190-F208 HydrophobicContact CD1-CZ 3.64Å; Q204-F208 WeakPolarHBondContact O-CB 3.49Å; Q204-F208 PolarHBondContact O-N 3.1Å; Y205-F208 WeakPolarHBondContact O-CB 3.31Å; Y205-F208 PolarHBondContact O-N 2.95Å; Y205-F208 VanDerWaalsContact O-N 3.1Å; F208-R210 VanDerWaalsContact C-N 3.3Å; F208-R210 PolarHBondContact O-N 3.29Å; F208-H211 WeakPolarHBondContact O-CB 3.49Å; F208-H211 PolarHBondContact O-N 2.96Å; F208-V212 HydrophobicContact CD1-CG2 4.38Å; F208-V212 HydrophobicContact CD2-CG2 4.39Å; F208-V212 HydrophobicContact CE1-CG2 3.98Å; F208-V212 HydrophobicContact CE2-CG2 4Å; F208-V212 HydrophobicContact CZ-CG2 3.78Å; F208-V212 WeakPolarHBondContact O-CG2 3.43Å; F208-V212 PolarHBondContact O-N 3.42Å; F208-I249 HydrophobicContact CZ-CD1 4.31Å; F208-L269 HydrophobicContact CD2-CD1 4.27Å; F208-L269 HydrophobicContact CE2-CD1 3.8Å; F208-H272 HydrophobicContact CD2-CB 4.45Å; F208-F276 HydrophobicContact CB-CE2 3.89Å; F208-F276 HydrophobicContact CB-CZ 3.74Å; F208-F276 HydrophobicContact CD2-CE2 4.08Å; F208-F276 HydrophobicContact CG-CE2 4.04Å; F208-F276 HydrophobicContact CG-CZ 4.18Å
209I94.4Very high92.9Very high0 Ų049.8 Ų49.80%022%0.219CC..Hα-helixtrans-61.6-39.8-178.967.8177.3000111.8Q128 L129 I183 Y205 Q206 V212 Q213Q128-I209 HydrophobicContact CB-CD1 3.15Å; Q128-I209 HydrophobicContact CG-CD1 4.15Å; L129-I209 HydrophobicContact CD2-CB 4.09Å; L129-I209 HydrophobicContact CD2-CD1 3.98Å; L129-I209 HydrophobicContact CD2-CG1 3.82Å; L129-I209 HydrophobicContact CG-CD1 4.05Å; L129-I209 HydrophobicContact CG-CG1 4.37Å; I183-I209 HydrophobicContact CD1-CB 3.86Å; I183-I209 HydrophobicContact CD1-CG2 4.18Å; I183-I209 HydrophobicContact CG1-CB 4.41Å; I183-I209 HydrophobicContact CG1-CG2 4.39Å; I183-I209 HydrophobicContact CG2-CB 4.37Å; I183-I209 HydrophobicContact CG2-CG2 3.49Å; I183-I209 VanDerWaalsContact CG2-CG2 3.49Å; Y205-I209 HydrophobicContact CD1-CD1 4.48Å; Y205-I209 HydrophobicContact CD1-CG2 4.11Å; Y205-I209 HydrophobicContact CD2-CG2 4.37Å; Y205-I209 HydrophobicContact CE1-CD1 4.19Å; Y205-I209 HydrophobicContact CE1-CG2 3.74Å; Y205-I209 HydrophobicContact CE2-CG2 4.04Å; Y205-I209 HydrophobicContact CG-CG2 4.41Å; Y205-I209 WeakPolarHBondContact O-CG2 3.45Å; Y205-I209 PolarHBondContact O-N 2.96Å; Q206-I209 VanDerWaalsContact O-CG1 3.26Å; Q206-I209 WeakPolarHBondContact O-CG1 3.3Å; I209-V212 PolarHBondContact O-N 3.43Å; I209-Q213 WeakPolarHBondContact O-CB 3.26Å; I209-Q213 PolarHBondContact O-N 3.31Å
210R92.6Very high92.8Very high148 Ų14851.2 Ų51.256%0.55822%0.218SC*.Hα-helixtrans-67.9-39.7178.4-74.8-179.7-179.1-131.8-1.5110.8L129 Q206 F208 F214L129-R210 HydrophobicContact CD2-CG 4.42Å; Q206-R210 WeakPolarHBondContact O-CB 3.29Å; Q206-R210 VanDerWaalsContact O-CG 3.3Å; Q206-R210 WeakPolarHBondContact O-CG 3.42Å; Q206-R210 PolarHBondContact O-N 3.28Å; F208-R210 VanDerWaalsContact C-N 3.3Å; F208-R210 PolarHBondContact O-N 3.29Å; R210-F214 VanDerWaalsContact O-CB 3.26Å; R210-F214 WeakPolarHBondContact O-CB 3.46Å; R210-F214 PolarHBondContact O-N 2.85Å
211H94Very high92.8Very high26 Ų2653.6 Ų53.612%0.1223%0.226CC..Hα-helixtrans-61-49.1173.6178.284.6000111.3R207 F208 Q213 F214 L215 H272R207-H211 WeakPolarHBondContact O-CB 3.46Å; R207-H211 PolarHBondContact O-N 3.18Å; F208-H211 WeakPolarHBondContact O-CB 3.49Å; F208-H211 PolarHBondContact O-N 2.96Å; H211-Q213 PolarHBondContact O-N 2.93Å; H211-F214 PolarHBondContact O-N 3.34Å; H211-L215 WeakPolarHBondContact O-CB 3.49Å; H211-L215 PolarHBondContact O-N 2.93Å; H211-H272 AromaticContact CD2-CD2 3.65Å; H211-H272 AromaticContact CE1-CD2 3.56Å; H211-H272 AromaticContact CE1-NE2 3.67Å; H211-H272 AromaticContact CG-CD2 3.33Å; H211-H272 AromaticContact CG-CE1 3.96Å; H211-H272 AromaticContact CG-NE2 3.28Å; H211-H272 VanDerWaalsContact CG-NE2 3.28Å; H211-H272 AromaticContact ND1-CD2 3.29Å; H211-H272 PolarHBondContact ND1-CD2 3.3Å; H211-H272 VanDerWaalsContact ND1-CD2 3.29Å; H211-H272 AromaticContact ND1-CE1 3.98Å; H211-H272 AromaticContact ND1-NE2 2.99Å; H211-H272 PolarHBondContact ND1-NE2 3.35Å; H211-H272 AromaticContact NE2-CD2 3.79Å
212V95.4Very high92.9Very high0 Ų054 Ų540%023%0.225CC..Hα-helixtrans-60.4-46.1179.2171.70000111.3V182 I183 F208 I209 L215 I216 I253V182-V212 HydrophobicContact CG1-CG1 3.79Å; I183-V212 HydrophobicContact CG1-CB 4.14Å; I183-V212 HydrophobicContact CG1-CG1 3.85Å; F208-V212 HydrophobicContact CD1-CG2 4.38Å; F208-V212 HydrophobicContact CD2-CG2 4.39Å; F208-V212 HydrophobicContact CE1-CG2 3.98Å; F208-V212 HydrophobicContact CE2-CG2 4Å; F208-V212 HydrophobicContact CZ-CG2 3.78Å; F208-V212 WeakPolarHBondContact O-CG2 3.43Å; F208-V212 PolarHBondContact O-N 3.42Å; I209-V212 PolarHBondContact O-N 3.43Å; V212-L215 PolarHBondContact O-N 3.38Å; V212-I216 HydrophobicContact CG1-CD1 3.78Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 2.91Å; V212-I253 HydrophobicContact CG1-CD1 4.37Å
213Q92.6Very high93Very high22 Ų2258.2 Ų58.210%0.10324%0.244CC..Hα-helixtrans-61.2-46.9177.3-171.1-168.154.400111.4L129 Y130 I179 I209 H211 I216 R217L129-Q213 HydrophobicContact CD2-CB 4.07Å; L129-Q213 HydrophobicContact CD2-CG 4.47Å; Y130-Q213 PolarHBondContact OH-NE2 3.46Å; I179-Q213 HydrophobicContact CD1-CG 4.3Å; I179-Q213 HydrophobicContact CG2-CB 4.23Å; I179-Q213 HydrophobicContact CG2-CG 4.29Å; I209-Q213 WeakPolarHBondContact O-CB 3.26Å; I209-Q213 PolarHBondContact O-N 3.31Å; H211-Q213 PolarHBondContact O-N 2.93Å; Q213-I216 PolarHBondContact O-N 3.18Å; Q213-R217 WeakPolarHBondContact O-CG 3.43Å; Q213-R217 PolarHBondContact O-N 3.4Å; Q213-R217 VanDerWaalsContact O-N 3.11Å
214F92.7Very high92.9Very high113 Ų11358.5 Ų58.550%0.49624%0.24SC..Hα-helixtrans-64-44.4178.5179.6-101.8000112.2R210 H211 I216 R217 R218R210-F214 VanDerWaalsContact O-CB 3.26Å; R210-F214 WeakPolarHBondContact O-CB 3.46Å; R210-F214 PolarHBondContact O-N 2.85Å; H211-F214 PolarHBondContact O-N 3.34Å; F214-I216 PolarHBondContact O-N 3.43Å; F214-R217 PolarHBondContact O-N 3.28Å; F214-R218 WeakPolarHBondContact O-CB 3.32Å; F214-R218 PolarHBondContact O-N 3.04Å
215L94.8Very high92.6Very high0 Ų058 Ų580%024%0.238CC..Hα-helixtrans-55.3-52.2176172.666000110.7H211 V212 R217 R218 L219 L250 I253 E265H211-L215 WeakPolarHBondContact O-CB 3.49Å; H211-L215 PolarHBondContact O-N 2.93Å; V212-L215 PolarHBondContact O-N 3.38Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 3.47Å; L215-R218 VanDerWaalsContact CD1-NH2 3.32Å; L215-R218 PolarHBondContact O-N 2.75Å; L215-L219 HydrophobicContact CD1-CD1 3.63Å; L215-L219 HydrophobicContact CD1-CD2 4.39Å; L215-L219 HydrophobicContact CD1-CG 3.85Å; L215-L219 HydrophobicContact CG-CD1 3.82Å; L215-L219 HydrophobicContact CG-CG 4.35Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.21Å; L215-L219 PolarHBondContact O-N 2.99Å; L215-L250 HydrophobicContact CD2-CD2 3.52Å; L215-I253 HydrophobicContact CD2-CD1 4.1Å; L215-E265 HydrophobicContact CD1-CB 4.45Å; L215-E265 HydrophobicContact CD1-CG 4.18Å; L215-E265 WeakPolarHBondContact CD1-OE2 3.42Å
216I93.6Very high92.2Very high0 Ų066.1 Ų66.10%028%0.276CS..Hα-helixtrans-59.5-45.4-180-70.1165.5000110.7I179 V182 V212 Q213 F214 R218 L219 R220 I253 F257I179-I216 HydrophobicContact CB-CD1 4.48Å; I179-I216 HydrophobicContact CD1-CG2 4.33Å; I179-I216 HydrophobicContact CG1-CD1 3.85Å; I179-I216 HydrophobicContact CG1-CG2 4.16Å; I179-I216 HydrophobicContact CG2-CD1 4.46Å; V182-I216 HydrophobicContact CG1-CD1 4.32Å; V212-I216 HydrophobicContact CG1-CD1 3.78Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 2.91Å; Q213-I216 PolarHBondContact O-N 3.18Å; F214-I216 PolarHBondContact O-N 3.43Å; I216-R218 PolarHBondContact O-N 3.15Å; I216-L219 PolarHBondContact O-N 3.41Å; I216-R220 WeakPolarHBondContact O-CB 3.48Å; I216-R220 VanDerWaalsContact O-CG 3.24Å; I216-R220 WeakPolarHBondContact O-CG 3.24Å; I216-R220 PolarHBondContact O-N 3.11Å; I216-I253 HydrophobicContact CD1-CG1 4.43Å; I216-I253 HydrophobicContact CG1-CD1 4.46Å; I216-I253 HydrophobicContact CG1-CG1 4.48Å; I216-I253 HydrophobicContact CG1-CG2 3.9Å; I216-F257 HydrophobicContact CD1-CD2 4.28Å; I216-F257 HydrophobicContact CD1-CE2 3.69Å; I216-F257 HydrophobicContact CD1-CZ 4.01Å; I216-F257 HydrophobicContact CG1-CD2 4.36Å; I216-F257 HydrophobicContact CG1-CE2 4.24Å; I216-F257 HydrophobicContact CG2-CD1 3.71Å; I216-F257 HydrophobicContact CG2-CD2 4.16Å; I216-F257 HydrophobicContact CG2-CE1 3.64Å; I216-F257 HydrophobicContact CG2-CE2 4.11Å; I216-F257 HydrophobicContact CG2-CG 3.96Å; I216-F257 HydrophobicContact CG2-CZ 3.85Å
217R91.1Very high91.7Very high66 Ų6664.2 Ų64.225%0.24927%0.27CS..Hα-helixtrans-59.3-46.9177.2-71.2174.471.4173.98.1111.8L171 Q213 F214 L215 R220 R221L171-R217 HydrophobicContact CD1-CG 4.39Å; L171-R217 HydrophobicContact CD2-CG 4.3Å; Q213-R217 WeakPolarHBondContact O-CG 3.43Å; Q213-R217 PolarHBondContact O-N 3.4Å; Q213-R217 VanDerWaalsContact O-N 3.11Å; F214-R217 PolarHBondContact O-N 3.28Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 3.47Å; R217-R220 PolarHBondContact O-N 2.81Å; R217-R221 WeakPolarHBondContact O-CG 3.31Å; R217-R221 PolarHBondContact O-N 2.7Å
218R93Very high91.3Very high31 Ų3164.9 Ų64.912%0.11728%0.279CS..Hα-helixtrans-62.8-48.7-179.2-169.1-177.364-141.3-12.2111.5F214 L215 I216 R220 R221 K222 E223 E265F214-R218 WeakPolarHBondContact O-CB 3.32Å; F214-R218 PolarHBondContact O-N 3.04Å; L215-R218 VanDerWaalsContact CD1-NH2 3.32Å; L215-R218 PolarHBondContact O-N 2.75Å; I216-R218 PolarHBondContact O-N 3.15Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.43Å; R218-R221 CarbonylContact O-C 3.44Å; R218-R221 WeakPolarHBondContact O-CA 3.46Å; R218-R221 WeakPolarHBondContact O-CB 3.33Å; R218-R221 PolarHBondContact O-N 3.42Å; R218-R221 VanDerWaalsContact O-N 3.08Å; R218-K222 PolarHBondContact O-N 3.26Å; R218-E223 HydrophobicContact CG-CB 3.38Å; R218-E223 HydrophobicContact CG-CG 4.47Å; R218-E223 WeakPolarHBondContact CG-O 3.43Å; R218-E223 PolarHBondContact O-N 3.24Å; R218-E223 VanDerWaalsContact O-N 3.08Å; R218-E265 IonicContact CZ-OE1 2.75Å; R218-E265 IonicContact CZ-OE2 2.71Å; R218-E265 IonicContact NE-OE1 2.74Å; R218-E265 IonicContact NH2-OE1 3.44Å; R218-E265 PolarHBondContact NH2-OE1 3.12Å; R218-E265 IonicContact NH2-OE2 3.79Å; R218-E265 PolarHBondContact NH2-OE2 2.91Å
219L93.8Very high90.7Very high2 Ų271 Ų711%0.0131%0.312CS..Hα-helixtrans-63.2-37.3-179.8-68.8177000112.9L215 I216 R221 K222 Y224 I253 V259 N260 I261 E265L215-L219 HydrophobicContact CD1-CD1 3.63Å; L215-L219 HydrophobicContact CD1-CD2 4.39Å; L215-L219 HydrophobicContact CD1-CG 3.85Å; L215-L219 HydrophobicContact CG-CD1 3.82Å; L215-L219 HydrophobicContact CG-CG 4.35Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.21Å; L215-L219 PolarHBondContact O-N 2.99Å; I216-L219 PolarHBondContact O-N 3.41Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.81Å; L219-K222 WeakPolarHBondContact O-CA 3.41Å; L219-K222 PolarHBondContact O-N 3.4Å; L219-Y224 HydrophobicContact CD2-CD1 4.02Å; L219-Y224 HydrophobicContact CD2-CE1 4.08Å; L219-I253 HydrophobicContact CD1-CG2 4.46Å; L219-V259 HydrophobicContact CB-CB 3.93Å; L219-V259 HydrophobicContact CB-CG1 3.96Å; L219-V259 HydrophobicContact CB-CG2 4.11Å; L219-V259 HydrophobicContact CD1-CG2 3.95Å; L219-N260 WeakPolarHBondContact CD2-O 3.5Å; L219-I261 HydrophobicContact CD1-CD1 3.33Å; L219-E265 HydrophobicContact CD2-CG 4.36Å
220R90.8Very high90.4Very high105 Ų10577.5 Ų77.540%0.39635%0.347SS..Hα-helixtrans-65.2-30.7174.8-73.3-176.569.5-150.9-0.2113.2E175 I216 R217 R218 K222 V259E175-R220 IonicContact OE1-CZ 2.81Å; E175-R220 IonicContact OE1-NH1 2.94Å; E175-R220 PolarHBondContact OE1-NH1 3.02Å; E175-R220 IonicContact OE1-NH2 2.7Å; E175-R220 PolarHBondContact OE1-NH2 3.33Å; E175-R220 IonicContact OE2-NH1 3.92Å; I216-R220 WeakPolarHBondContact O-CB 3.48Å; I216-R220 VanDerWaalsContact O-CG 3.24Å; I216-R220 WeakPolarHBondContact O-CG 3.24Å; I216-R220 PolarHBondContact O-N 3.11Å; R217-R220 PolarHBondContact O-N 2.81Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.43Å; R220-K222 PolarHBondContact O-N 2.95Å; R220-V259 HydrophobicContact CG-CG1 3.92Å
221R91Very high90.2Very high127 Ų12773.8 Ų73.848%0.47934%0.335SS..THydrogen-bonded Turntrans-79.12.1171.1-66.2176.1-179.7-177.6-2.8113D170 R217 R218 L219 E223D170-R221 IonicContact OD2-CZ 3.68Å; D170-R221 IonicContact OD2-NH2 3.6Å; D170-R221 PolarHBondContact OD2-NH2 3.35Å; R217-R221 WeakPolarHBondContact O-CG 3.31Å; R217-R221 PolarHBondContact O-N 2.7Å; R218-R221 CarbonylContact O-C 3.44Å; R218-R221 WeakPolarHBondContact O-CA 3.46Å; R218-R221 WeakPolarHBondContact O-CB 3.33Å; R218-R221 PolarHBondContact O-N 3.42Å; R218-R221 VanDerWaalsContact O-N 3.08Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.81Å; R221-E223 HydrophobicContact CB-CG 4.06Å; R221-E223 PolarHBondContact O-N 3.17Å
222K92Very high89.7Confident160 Ų16072.9 Ų72.970%0.69633%0.331SS*.THydrogen-bonded Turntrans57.929.9-175.9-55179.6179.9179.60112.5R218 L219 R220 Y224R218-K222 PolarHBondContact O-N 3.26Å; L219-K222 WeakPolarHBondContact O-CA 3.41Å; L219-K222 PolarHBondContact O-N 3.4Å; R220-K222 PolarHBondContact O-N 2.95Å; K222-Y224 HydrophobicContact CB-CE2 4.02Å; K222-Y224 VanDerWaalsContact O-CD2 3.26Å; K222-Y224 WeakPolarHBondContact O-CD2 3.41Å; K222-Y224 VanDerWaalsContact O-CE2 3.27Å; K222-Y224 WeakPolarHBondContact O-CE2 3.29Å
223E92.4Very high89.4Confident95 Ų9575.9 Ų75.944%0.44435%0.352SS..  trans-87.9112.8173.5-70.6167.1-156.200107.8R218 R221R218-E223 HydrophobicContact CG-CB 3.38Å; R218-E223 HydrophobicContact CG-CG 4.47Å; R218-E223 WeakPolarHBondContact CG-O 3.43Å; R218-E223 PolarHBondContact O-N 3.24Å; R218-E223 VanDerWaalsContact O-N 3.08Å; R221-E223 HydrophobicContact CB-CG 4.06Å; R221-E223 PolarHBondContact O-N 3.17Å
224Y88.7Confident89.3Confident87 Ų8779 Ų7934%0.34137%0.368SS..  trans-110.4146.9-178.2-56.1-73.3000110.6L219 K222 N260L219-Y224 HydrophobicContact CD2-CD1 4.02Å; L219-Y224 HydrophobicContact CD2-CE1 4.08Å; K222-Y224 HydrophobicContact CB-CE2 4.02Å; K222-Y224 VanDerWaalsContact O-CD2 3.26Å; K222-Y224 WeakPolarHBondContact O-CD2 3.41Å; K222-Y224 VanDerWaalsContact O-CE2 3.27Å; K222-Y224 WeakPolarHBondContact O-CE2 3.29Å; Y224-N260 HydrophobicContact CE1-CB 3.9Å; Y224-N260 PolarHBondContact OH-ND2 2.9Å
225I87.6Confident89.3Confident36 Ų3673.9 Ų73.919%0.18535%0.346CS..  trans-104.6153.2173.466.7-171.1000110.5E265 Y268I225-E265 VanDerWaalsContact CD1-OE2 3.26Å; I225-E265 WeakPolarHBondContact CD1-OE2 3.35Å; I225-E265 WeakPolarHBondContact CG1-OE1 3.49Å; I225-Y268 HydrophobicContact CD1-CD2 3.19Å; I225-Y268 HydrophobicContact CD1-CE2 3.27Å; I225-Y268 HydrophobicContact CD1-CG 4.09Å; I225-Y268 HydrophobicContact CG1-CD2 4.19Å; I225-Y268 HydrophobicContact CG1-CE2 3.98Å
226H84.8Confident89.1Confident171 Ų17178.3 Ų78.379%0.79237%0.365SS*.  trans-118.3127.3175.2-66.5-68.6000109.5
227A81.4Confident89Confident19 Ų1984.3 Ų84.316%0.15740%0.397CS..  trans-103.1154.3165.700000109.3F231 V232 S264A227-F231 HydrophobicContact CB-CD1 4.32Å; A227-V232 HydrophobicContact CB-CG2 4.13Å; A227-S264 PolarHBondContact N-OG 3.49Å
228Q84.8Confident89.1Confident154 Ų15487.3 Ų87.372%0.7241%0.413SS*.  trans-73.9142.7174.8-64.9177.90.400110.6D230 F231 V232Q228-D230 VanDerWaalsContact C-N 3.28Å; Q228-D230 PolarHBondContact O-N 3.2Å; Q228-F231 HydrophobicContact CB-CB 4.49Å; Q228-F231 WeakPolarHBondContact O-CA 3.34Å; Q228-F231 WeakPolarHBondContact O-CB 3.35Å; Q228-F231 PolarHBondContact O-N 3.12Å; Q228-V232 PolarHBondContact O-N 3.31Å; Q228-V232 VanDerWaalsContact O-N 3.1Å
229D83.1Confident89.1Confident128 Ų12889.2 Ų89.268%0.68442%0.421SS*.Hα-helixtrans-59.1-36-175.5-63.2-23000113.2F231 V232 S233D229-F231 VanDerWaalsContact C-N 3.3Å; D229-F231 PolarHBondContact O-N 3.11Å; D229-V232 WeakPolarHBondContact O-CB 3.45Å; D229-V232 PolarHBondContact O-N 3.41Å; D229-S233 PolarHBondContact O-N 3Å; D229-S233 PolarHBondContact O-OG 3.47Å
230D87.4Confident89.1Confident137 Ų13792.3 Ų92.373%0.73344%0.441SS*.Hα-helixtrans-63.3-38.4175.6-70.9-17.8000111.5Q228 S233 M234Q228-D230 VanDerWaalsContact C-N 3.28Å; Q228-D230 PolarHBondContact O-N 3.2Å; D230-S233 PolarHBondContact O-N 2.99Å; D230-M234 WeakPolarHBondContact O-CB 3.37Å; D230-M234 PolarHBondContact O-N 3.26Å
231F88.4Confident89.4Confident70 Ų7091.6 Ų91.631%0.30745%0.445SS..Hα-helixtrans-68.6-40.7177.4-173.5-113.3000111.4A227 Q228 D229 M234 I235 I267 L271A227-F231 HydrophobicContact CB-CD1 4.32Å; Q228-F231 HydrophobicContact CB-CB 4.49Å; Q228-F231 WeakPolarHBondContact O-CA 3.34Å; Q228-F231 WeakPolarHBondContact O-CB 3.35Å; Q228-F231 PolarHBondContact O-N 3.12Å; D229-F231 VanDerWaalsContact C-N 3.3Å; D229-F231 PolarHBondContact O-N 3.11Å; F231-M234 HydrophobicContact CD2-CE 3.64Å; F231-M234 HydrophobicContact CE2-CE 3.69Å; F231-M234 PolarHBondContact O-N 3.45Å; F231-I235 HydrophobicContact CD2-CG1 4.44Å; F231-I235 HydrophobicContact CE1-CG1 4.25Å; F231-I235 HydrophobicContact CE2-CD1 4.23Å; F231-I235 HydrophobicContact CE2-CG1 4.08Å; F231-I235 HydrophobicContact CZ-CD1 4.28Å; F231-I235 HydrophobicContact CZ-CG1 3.99Å; F231-I235 WeakPolarHBondContact O-CG1 3.47Å; F231-I235 PolarHBondContact O-N 3.29Å; F231-I267 HydrophobicContact CD1-CG2 3.8Å; F231-I267 HydrophobicContact CE1-CG2 3.48Å; F231-I267 VanDerWaalsContact CE1-CG2 3.48Å; F231-I267 HydrophobicContact CZ-CG2 4.37Å; F231-L271 HydrophobicContact CZ-CD1 4.14Å
232V85.2Confident89.6Confident8 Ų885.6 Ų85.65%0.04842%0.422CS..Hα-helixtrans-58.5-51.4174.61730000110.6A227 Q228 D229 M234 I235 K236 E263 I267A227-V232 HydrophobicContact CB-CG2 4.13Å; Q228-V232 PolarHBondContact O-N 3.31Å; Q228-V232 VanDerWaalsContact O-N 3.1Å; D229-V232 WeakPolarHBondContact O-CB 3.45Å; D229-V232 PolarHBondContact O-N 3.41Å; V232-M234 VanDerWaalsContact C-N 3.33Å; V232-M234 PolarHBondContact O-N 3.43Å; V232-I235 PolarHBondContact O-N 3.15Å; V232-K236 WeakPolarHBondContact O-CB 3.15Å; V232-K236 PolarHBondContact O-N 3.14Å; V232-E263 HydrophobicContact CG1-CG 3.64Å; V232-E263 WeakPolarHBondContact CG1-OE1 3.26Å; V232-I267 HydrophobicContact CB-CD1 4.37Å; V232-I267 HydrophobicContact CB-CG1 4.17Å; V232-I267 HydrophobicContact CG1-CD1 4.05Å; V232-I267 HydrophobicContact CG1-CG1 4.14Å; V232-I267 HydrophobicContact CG2-CG1 3.9Å
233S87.6Confident89.8Confident63 Ų6378.9 Ų78.944%0.44139%0.392SS..Hα-helixtrans-62.2-41.3-179.2-60.50000111.7D229 D230 N237D229-S233 PolarHBondContact O-N 3Å; D229-S233 PolarHBondContact O-OG 3.47Å; D230-S233 PolarHBondContact O-N 2.99Å; S233-N237 WeakPolarHBondContact O-CB 3.17Å; S233-N237 PolarHBondContact O-N 3.16Å; S233-N237 VanDerWaalsContact O-N 3.12Å; S233-N237 PolarHBondContact O-ND2 2.98Å; S233-N237 VanDerWaalsContact O-ND2 3.17Å
234M91Very high90Very high87 Ų8778.7 Ų78.743%0.42939%0.394SS..Hα-helixtrans-60.4-53.1177.2-175.5-175.575.400111.6D230 F231 V232 K236 N237 H238D230-M234 WeakPolarHBondContact O-CB 3.37Å; D230-M234 PolarHBondContact O-N 3.26Å; F231-M234 HydrophobicContact CD2-CE 3.64Å; F231-M234 HydrophobicContact CE2-CE 3.69Å; F231-M234 PolarHBondContact O-N 3.45Å; V232-M234 VanDerWaalsContact C-N 3.33Å; V232-M234 PolarHBondContact O-N 3.43Å; M234-K236 PolarHBondContact O-N 2.95Å; M234-N237 PolarHBondContact O-N 2.94Å; M234-H238 PolarHBondContact O-N 2.93Å; M234-H238 PolarHBondContact O-ND1 3.41Å
235I92.5Very high90.4Very high6 Ų674.5 Ų74.53%0.03138%0.378CS..Hα-helixtrans-65-41.6-176.4-66.4-58.4000111.5F231 V232 N237 H238 Y239 I267 T270 L271F231-I235 HydrophobicContact CD2-CG1 4.44Å; F231-I235 HydrophobicContact CE1-CG1 4.25Å; F231-I235 HydrophobicContact CE2-CD1 4.23Å; F231-I235 HydrophobicContact CE2-CG1 4.08Å; F231-I235 HydrophobicContact CZ-CD1 4.28Å; F231-I235 HydrophobicContact CZ-CG1 3.99Å; F231-I235 WeakPolarHBondContact O-CG1 3.47Å; F231-I235 PolarHBondContact O-N 3.29Å; V232-I235 PolarHBondContact O-N 3.15Å; I235-N237 VanDerWaalsContact C-N 3.29Å; I235-N237 PolarHBondContact O-N 3.17Å; I235-H238 PolarHBondContact O-N 2.94Å; I235-Y239 HydrophobicContact CD1-CD2 4.01Å; I235-Y239 HydrophobicContact CD1-CE2 3.82Å; I235-Y239 HydrophobicContact CG2-CD2 4.16Å; I235-Y239 PolarHBondContact O-N 2.92Å; I235-I267 HydrophobicContact CB-CD1 4.04Å; I235-I267 HydrophobicContact CB-CG2 3.99Å; I235-I267 HydrophobicContact CG1-CG2 3.83Å; I235-I267 HydrophobicContact CG2-CD1 3.97Å; I235-I267 HydrophobicContact CG2-CG2 4.01Å; I235-T270 HydrophobicContact CG2-CG2 3.61Å; I235-L271 HydrophobicContact CD1-CD2 3.76Å
236K90.6Very high90.9Very high92 Ų9272.8 Ų72.840%0.437%0.369SS..Hα-helixtrans-60.3-38.5176.8-174.1175.7-175.6172.90112.8V232 M234 Y243V232-K236 WeakPolarHBondContact O-CB 3.15Å; V232-K236 PolarHBondContact O-N 3.14Å; M234-K236 PolarHBondContact O-N 2.95Å; K236-Y243 HydrophobicContact CB-CD2 3.93Å; K236-Y243 HydrophobicContact CB-CE2 4.02Å; K236-Y243 HydrophobicContact CB-CG 4.46Å; K236-Y243 HydrophobicContact CD-CE1 4.3Å; K236-Y243 HydrophobicContact CD-CE2 4.12Å; K236-Y243 HydrophobicContact CG-CD1 4.27Å; K236-Y243 HydrophobicContact CG-CD2 4Å; K236-Y243 HydrophobicContact CG-CE1 4.31Å; K236-Y243 HydrophobicContact CG-CE2 4Å; K236-Y243 HydrophobicContact CG-CG 4.14Å
237N91.6Very high91.5Very high126 Ų12670.9 Ų70.967%0.67436%0.356SS*.Hα-helixtrans-76.2-36.3179.5-71.2-21.1000112.9S233 M234 I235S233-N237 WeakPolarHBondContact O-CB 3.17Å; S233-N237 PolarHBondContact O-N 3.16Å; S233-N237 VanDerWaalsContact O-N 3.12Å; S233-N237 PolarHBondContact O-ND2 2.98Å; S233-N237 VanDerWaalsContact O-ND2 3.17Å; M234-N237 PolarHBondContact O-N 2.94Å; I235-N237 VanDerWaalsContact C-N 3.29Å; I235-N237 PolarHBondContact O-N 3.17Å
238H92.7Very high92.2Very high129 Ų12974.5 Ų74.560%0.59737%0.368SS*.Hα-helixtrans-83.3-32.1-177.5-70.881.7000113.2M234 I235 P240M234-H238 PolarHBondContact O-N 2.93Å; M234-H238 PolarHBondContact O-ND1 3.41Å; I235-H238 PolarHBondContact O-N 2.94Å; H238-P240 VanDerWaalsContact C-CD 3.4Å; H238-P240 WeakPolarHBondContact O-CD 3.35Å
239Y93.6Very high92.9Very high72 Ų7267.2 Ų67.228%0.28233%0.334SS..  trans-127.556.2-174.5-49.2-71.4000112.5I235 I241 C242 Y243 H274I235-Y239 HydrophobicContact CD1-CD2 4.01Å; I235-Y239 HydrophobicContact CD1-CE2 3.82Å; I235-Y239 HydrophobicContact CG2-CD2 4.16Å; I235-Y239 PolarHBondContact O-N 2.92Å; Y239-I241 VanDerWaalsContact C-N 3.34Å; Y239-I241 PolarHBondContact O-N 3.21Å; Y239-C242 PolarHBondContact O-N 3.29Å; Y239-Y243 WeakPolarHBondContact O-CB 3.43Å; Y239-Y243 PolarHBondContact O-N 2.78Å; Y239-H274 AromaticContact CD1-CE1 3.7Å; Y239-H274 AromaticContact CD1-CG 3.84Å; Y239-H274 AromaticContact CD1-ND1 3.51Å; Y239-H274 AromaticContact CE1-CD2 3.73Å; Y239-H274 AromaticContact CE1-CE1 3.34Å; Y239-H274 WeakPolarHBondContact CE1-CE1 3.37Å; Y239-H274 AromaticContact CE1-CG 3.85Å; Y239-H274 AromaticContact CE1-ND1 3.61Å; Y239-H274 AromaticContact CE1-NE2 3.38Å; Y239-H274 WeakPolarHBondContact CE1-NE2 3.49Å; Y239-H274 AromaticContact CZ-NE2 3.94Å
240P94.3Very high93.6Very high67 Ų6761.2 Ų61.244%0.43530%0.302SS..Hα-helixtrans-64.1-34.2-170.825.5-35.3000113.8H238 N244H238-P240 VanDerWaalsContact C-CD 3.4Å; H238-P240 WeakPolarHBondContact O-CD 3.35Å; P240-N244 VanDerWaalsContact O-CG 3.3Å; P240-N244 PolarHBondContact O-N 2.92Å; P240-N244 VanDerWaalsContact O-N 3.08Å; P240-N244 PolarHBondContact O-ND2 3.42Å
241I95.5Very high94Very high90 Ų9057.3 Ų57.346%0.46228%0.283SS..Hα-helixtrans-67-55.2177.4-57.9176.5000109.2L194 Y239 Y243 N244 T245L194-I241 HydrophobicContact CD2-CG2 3.69Å; Y239-I241 VanDerWaalsContact C-N 3.34Å; Y239-I241 PolarHBondContact O-N 3.21Å; I241-Y243 PolarHBondContact O-N 3.36Å; I241-N244 PolarHBondContact O-N 3.09Å; I241-T245 PolarHBondContact O-N 2.99Å; I241-T245 PolarHBondContact O-OG1 2.96Å
242C96.4Very high94.4Very high1 Ų155.4 Ų55.41%0.00728%0.276CS..Hα-helixtrans-55.6-37.7176.7-65.90000112.4Y239 T245 A246 T270 I273Y239-C242 PolarHBondContact O-N 3.29Å; C242-T245 PolarHBondContact O-N 3.29Å; C242-A246 WeakPolarHBondContact O-CB 3.35Å; C242-A246 PolarHBondContact O-N 3.06Å; C242-T270 HydrophobicContact CB-CG2 3.74Å; C242-I273 HydrophobicContact CB-CB 4.3Å; C242-I273 HydrophobicContact CB-CG2 3.96Å
243Y95.9Very high94.9Very high18 Ų1855 Ų557%0.07127%0.273CS..Hα-helixtrans-62.2-47.1175.8-177.5-81.3000112.1K236 Y239 I241 T245 A246 Y247 E263 I266 I267 T270K236-Y243 HydrophobicContact CB-CD2 3.93Å; K236-Y243 HydrophobicContact CB-CE2 4.02Å; K236-Y243 HydrophobicContact CB-CG 4.46Å; K236-Y243 HydrophobicContact CD-CE1 4.3Å; K236-Y243 HydrophobicContact CD-CE2 4.12Å; K236-Y243 HydrophobicContact CG-CD1 4.27Å; K236-Y243 HydrophobicContact CG-CD2 4Å; K236-Y243 HydrophobicContact CG-CE1 4.31Å; K236-Y243 HydrophobicContact CG-CE2 4Å; K236-Y243 HydrophobicContact CG-CG 4.14Å; Y239-Y243 WeakPolarHBondContact O-CB 3.43Å; Y239-Y243 PolarHBondContact O-N 2.78Å; I241-Y243 PolarHBondContact O-N 3.36Å; Y243-T245 VanDerWaalsContact C-N 3.34Å; Y243-T245 PolarHBondContact O-N 2.92Å; Y243-A246 PolarHBondContact O-N 3.31Å; Y243-Y247 PolarHBondContact O-N 2.86Å; Y243-E263 PolarHBondContact OH-OE1 3.3Å; Y243-I266 HydrophobicContact CD1-CG2 4.38Å; Y243-I266 HydrophobicContact CD2-CG2 3.79Å; Y243-I266 HydrophobicContact CE1-CG2 4.14Å; Y243-I266 HydrophobicContact CE2-CB 4.26Å; Y243-I266 HydrophobicContact CE2-CG2 3.54Å; Y243-I266 HydrophobicContact CG-CG2 4.2Å; Y243-I267 HydrophobicContact CD2-CD1 3.88Å; Y243-I267 HydrophobicContact CE2-CD1 3.63Å; Y243-T270 WeakPolarHBondContact CA-OG1 3.25Å
244N96Very high95.3Very high91 Ų9155.9 Ų55.949%0.48727%0.27SS..Hα-helixtrans-65.3-38.7177.7-71.5-30.3000111.8P240 I241 Y247 K248P240-N244 VanDerWaalsContact O-CG 3.3Å; P240-N244 PolarHBondContact O-N 2.92Å; P240-N244 VanDerWaalsContact O-N 3.08Å; P240-N244 PolarHBondContact O-ND2 3.42Å; I241-N244 PolarHBondContact O-N 3.09Å; N244-Y247 WeakPolarHBondContact O-CB 3.5Å; N244-Y247 PolarHBondContact O-N 3.34Å; N244-K248 WeakPolarHBondContact O-CG 3.45Å; N244-K248 PolarHBondContact O-N 3.48Å; N244-K248 VanDerWaalsContact O-N 3.12Å
245T97.5Very high95.5Very high0 Ų060.7 Ų60.70%029%0.289CS..Hα-helixtrans-62.8-46.2174.4-53.70000111I189 I190 D193 I241 C242 Y243 Y247 K248 I249 I273I189-T245 HydrophobicContact CG2-CG2 3.81Å; I190-T245 HydrophobicContact CB-CG2 4.46Å; I190-T245 HydrophobicContact CG1-CG2 3.8Å; D193-T245 HydrophobicContact CB-CG2 4.15Å; D193-T245 WeakPolarHBondContact CB-OG1 3.46Å; D193-T245 PolarHBondContact OD2-OG1 3.22Å; I241-T245 PolarHBondContact O-N 2.99Å; I241-T245 PolarHBondContact O-OG1 2.96Å; C242-T245 PolarHBondContact O-N 3.29Å; Y243-T245 VanDerWaalsContact C-N 3.34Å; Y243-T245 PolarHBondContact O-N 2.92Å; T245-Y247 VanDerWaalsContact C-N 3.32Å; T245-Y247 PolarHBondContact O-N 3.35Å; T245-K248 PolarHBondContact O-N 2.9Å; T245-I249 HydrophobicContact CG2-CD1 4.34Å; T245-I249 WeakPolarHBondContact O-CG1 3.49Å; T245-I249 PolarHBondContact O-N 3.25Å; T245-I249 VanDerWaalsContact O-N 3.15Å; T245-I273 HydrophobicContact CG2-CD1 3.83Å; T245-I273 HydrophobicContact CG2-CG2 4.22Å
246A97.7Very high95.5Very high0 Ų063 Ų630%030%0.299CS..Hα-helixtrans-57.9-44.8174.900000111.7C242 Y243 K248 I249 L250 I266 L269 I273C242-A246 WeakPolarHBondContact O-CB 3.35Å; C242-A246 PolarHBondContact O-N 3.06Å; Y243-A246 PolarHBondContact O-N 3.31Å; A246-K248 PolarHBondContact O-N 3.23Å; A246-I249 PolarHBondContact O-N 3.47Å; A246-L250 WeakPolarHBondContact O-CB 3.39Å; A246-L250 WeakPolarHBondContact O-CG 3.34Å; A246-L250 PolarHBondContact O-N 3.37Å; A246-I266 HydrophobicContact CB-CG2 4.02Å; A246-L269 HydrophobicContact CB-CB 4Å; A246-L269 HydrophobicContact CB-CD2 4.08Å; A246-L269 HydrophobicContact CB-CG 4.03Å; A246-I273 HydrophobicContact CB-CD1 3.8Å
247Y97.2Very high95.6Very high130 Ų13059.8 Ų59.851%0.5129%0.286SS..Hα-helixtrans-58.7-43.3178-177.3-97.6000112.7Y243 N244 T245 L250 T251 I266Y243-Y247 PolarHBondContact O-N 2.86Å; N244-Y247 WeakPolarHBondContact O-CB 3.5Å; N244-Y247 PolarHBondContact O-N 3.34Å; T245-Y247 VanDerWaalsContact C-N 3.32Å; T245-Y247 PolarHBondContact O-N 3.35Å; Y247-L250 PolarHBondContact O-N 2.95Å; Y247-T251 WeakPolarHBondContact O-CB 3.33Å; Y247-T251 PolarHBondContact O-N 3.08Å; Y247-T251 PolarHBondContact O-OG1 3.41Å; Y247-I266 HydrophobicContact CD2-CD1 3.75Å; Y247-I266 HydrophobicContact CE2-CD1 4.38Å
248K97.8Very high95.7Very high96 Ų9661.2 Ų61.242%0.41729%0.293SS..Hα-helixtrans-61.3-46.7176.4-69.3170.8-173.8170.40111.6I189 D193 N244 T245 A246 T251 M252I189-K248 HydrophobicContact CG2-CB 4.18Å; I189-K248 HydrophobicContact CG2-CD 4.05Å; D193-K248 IonicContact OD1-NZ 3.72Å; D193-K248 PolarHBondContact OD1-NZ 3.46Å; D193-K248 IonicContact OD2-NZ 3.98Å; D193-K248 PolarHBondContact OD2-NZ 2.92Å; N244-K248 WeakPolarHBondContact O-CG 3.45Å; N244-K248 PolarHBondContact O-N 3.48Å; N244-K248 VanDerWaalsContact O-N 3.12Å; T245-K248 PolarHBondContact O-N 2.9Å; A246-K248 PolarHBondContact O-N 3.23Å; K248-T251 PolarHBondContact O-N 3.39Å; K248-M252 PolarHBondContact O-N 2.9Å; K248-M252 VanDerWaalsContact O-N 3.12Å
249I98.1Very high95.7Very high1 Ų155.6 Ų55.61%0.00527%0.268CS..Hα-helixtrans-64.9-43.7-179.5-63.5174000110.9G186 I189 I190 F208 T245 A246 M252 I253 L269 I273G186-I249 WeakPolarHBondContact O-CD1 3.49Å; I189-I249 HydrophobicContact CB-CG1 4.35Å; I189-I249 HydrophobicContact CD1-CG1 4.2Å; I189-I249 HydrophobicContact CG2-CG1 4.16Å; I190-I249 HydrophobicContact CD1-CD1 3.95Å; I190-I249 HydrophobicContact CG1-CD1 3.88Å; F208-I249 HydrophobicContact CZ-CD1 4.31Å; T245-I249 HydrophobicContact CG2-CD1 4.34Å; T245-I249 WeakPolarHBondContact O-CG1 3.49Å; T245-I249 PolarHBondContact O-N 3.25Å; T245-I249 VanDerWaalsContact O-N 3.15Å; A246-I249 PolarHBondContact O-N 3.47Å; I249-M252 WeakPolarHBondContact O-CB 3.46Å; I249-M252 PolarHBondContact O-N 3.49Å; I249-I253 HydrophobicContact CG2-CD1 4.16Å; I249-I253 WeakPolarHBondContact O-CG1 3.49Å; I249-I253 PolarHBondContact O-N 2.75Å; I249-L269 HydrophobicContact CB-CD2 3.95Å; I249-L269 HydrophobicContact CG2-CD2 3.87Å; I249-I273 HydrophobicContact CD1-CD1 4.01Å
250L97.5Very high95.7Very high1 Ų157.1 Ų57.11%0.00528%0.281CS..Hα-helixtrans-68.7-35.4179.5-70.9164.6000112.6L215 A246 Y247 M252 I253 Q254 I261 E265 I266 L269L215-L250 HydrophobicContact CD2-CD2 3.52Å; A246-L250 WeakPolarHBondContact O-CB 3.39Å; A246-L250 WeakPolarHBondContact O-CG 3.34Å; A246-L250 PolarHBondContact O-N 3.37Å; Y247-L250 PolarHBondContact O-N 2.95Å; L250-M252 VanDerWaalsContact C-N 3.26Å; L250-M252 PolarHBondContact O-N 3.48Å; L250-I253 HydrophobicContact CD2-CD1 4.28Å; L250-I253 WeakPolarHBondContact O-CB 3.27Å; L250-I253 PolarHBondContact O-N 3.05Å; L250-Q254 WeakPolarHBondContact O-CB 3.38Å; L250-Q254 PolarHBondContact O-N 3.4Å; L250-I261 HydrophobicContact CB-CG1 4.34Å; L250-I261 HydrophobicContact CB-CG2 3.89Å; L250-I261 HydrophobicContact CD1-CG2 4.07Å; L250-I261 HydrophobicContact CD2-CD1 4.08Å; L250-I261 HydrophobicContact CD2-CG2 4.3Å; L250-I261 HydrophobicContact CG-CG2 4.31Å; L250-E265 HydrophobicContact CD1-CB 4.26Å; L250-E265 HydrophobicContact CD2-CB 4.29Å; L250-I266 HydrophobicContact CD1-CB 3.96Å; L250-I266 HydrophobicContact CD1-CG1 3.59Å; L250-I266 HydrophobicContact CD1-CG2 4.49Å; L250-L269 HydrophobicContact CD1-CB 4.29Å; L250-L269 HydrophobicContact CD1-CD2 4.08Å; L250-L269 HydrophobicContact CD2-CD2 4.05Å; L250-L269 HydrophobicContact CG-CD2 3.67Å
251T96.6Very high95.7Very high56 Ų5655.7 Ų55.734%0.34427%0.269SS..Hα-helixtrans-61.8-38.3172.7-59.40000111Y247 K248 K255Y247-T251 WeakPolarHBondContact O-CB 3.33Å; Y247-T251 PolarHBondContact O-N 3.08Å; Y247-T251 PolarHBondContact O-OG1 3.41Å; K248-T251 PolarHBondContact O-N 3.39Å; T251-K255 PolarHBondContact O-N 3.37Å; T251-K255 VanDerWaalsContact O-N 3.11Å
252M96.3Very high95.5Very high29 Ų2953 Ų5314%0.14326%0.258CS..Hα-helixtrans-64.7-43.5172.9177.117760.400111.8V182 K185 K248 I249 L250 K255 Q256V182-M252 HydrophobicContact CB-CE 4.28Å; V182-M252 HydrophobicContact CG1-CE 4.03Å; V182-M252 HydrophobicContact CG2-CE 4.34Å; V182-M252 WeakPolarHBondContact O-CE 3.31Å; K185-M252 HydrophobicContact CB-CE 3.79Å; K185-M252 HydrophobicContact CB-SD 3.68Å; K185-M252 HydrophobicContact CD-SD 3.7Å; K185-M252 HydrophobicContact CG-SD 4.36Å; K248-M252 PolarHBondContact O-N 2.9Å; K248-M252 VanDerWaalsContact O-N 3.12Å; I249-M252 WeakPolarHBondContact O-CB 3.46Å; I249-M252 PolarHBondContact O-N 3.49Å; L250-M252 VanDerWaalsContact C-N 3.26Å; L250-M252 PolarHBondContact O-N 3.48Å; M252-K255 PolarHBondContact O-N 3.4Å; M252-Q256 HydrophobicContact CG-CG 4.47Å; M252-Q256 VanDerWaalsContact CG-NE2 3.26Å; M252-Q256 WeakPolarHBondContact O-CB 3.38Å; M252-Q256 WeakPolarHBondContact O-CG 3.31Å; M252-Q256 PolarHBondContact O-N 3.12Å
253I96.6Very high95.3Very high0 Ų057.1 Ų57.10%028%0.277CS..Hα-helixtrans-60.7-49.2175.8-70.5167.9000110.7V182 V212 L215 I216 L219 I249 L250 K255 Q256 F257 V259 I261V182-I253 HydrophobicContact CG1-CD1 3.91Å; V182-I253 HydrophobicContact CG1-CG1 3.51Å; V182-I253 HydrophobicContact CG2-CG1 4.34Å; V212-I253 HydrophobicContact CG1-CD1 4.37Å; L215-I253 HydrophobicContact CD2-CD1 4.1Å; I216-I253 HydrophobicContact CD1-CG1 4.43Å; I216-I253 HydrophobicContact CG1-CD1 4.46Å; I216-I253 HydrophobicContact CG1-CG1 4.48Å; I216-I253 HydrophobicContact CG1-CG2 3.9Å; L219-I253 HydrophobicContact CD1-CG2 4.46Å; I249-I253 HydrophobicContact CG2-CD1 4.16Å; I249-I253 WeakPolarHBondContact O-CG1 3.49Å; I249-I253 PolarHBondContact O-N 2.75Å; L250-I253 HydrophobicContact CD2-CD1 4.28Å; L250-I253 WeakPolarHBondContact O-CB 3.27Å; L250-I253 PolarHBondContact O-N 3.05Å; I253-K255 VanDerWaalsContact C-N 3.29Å; I253-K255 PolarHBondContact O-N 2.71Å; I253-Q256 PolarHBondContact O-N 3.32Å; I253-F257 HydrophobicContact CG2-CD2 4.28Å; I253-F257 PolarHBondContact O-N 2.93Å; I253-V259 HydrophobicContact CG2-CG2 4.08Å; I253-I261 HydrophobicContact CG2-CD1 4.44Å
254Q96.2Very high95.1Very high82 Ų8256.7 Ų56.738%0.38328%0.277SS..Hα-helixtrans-51.1-49.2176.7172.4160.442.600111.6L250 D258 V259 I261L250-Q254 WeakPolarHBondContact O-CB 3.38Å; L250-Q254 PolarHBondContact O-N 3.4Å; Q254-D258 WeakPolarHBondContact O-CA 3.37Å; Q254-D258 PolarHBondContact O-N 3.08Å; Q254-V259 VanDerWaalsContact CG-O 3.27Å; Q254-V259 WeakPolarHBondContact CG-O 3.32Å; Q254-V259 PolarHBondContact O-N 3.29Å; Q254-I261 HydrophobicContact CB-CG1 3.82Å
255K94.9Very high95Very high188 Ų18852.4 Ų52.482%0.81725%0.254SS*.Hα-helixtrans-68.9-39.6-178.8-175.7177.6178.1179.50113.2T251 M252 I253T251-K255 PolarHBondContact O-N 3.37Å; T251-K255 VanDerWaalsContact O-N 3.11Å; M252-K255 PolarHBondContact O-N 3.4Å; I253-K255 VanDerWaalsContact C-N 3.29Å; I253-K255 PolarHBondContact O-N 2.71Å
256Q93.4Very high94.9Very high53 Ų5352.9 Ų52.925%0.24826%0.257CS..Hα-helixtrans-77.5-30.7-175.4-72.5-172.53300113.2V182 M252 I253V182-Q256 VanDerWaalsContact CG2-OE1 3.28Å; M252-Q256 HydrophobicContact CG-CG 4.47Å; M252-Q256 VanDerWaalsContact CG-NE2 3.26Å; M252-Q256 WeakPolarHBondContact O-CB 3.38Å; M252-Q256 WeakPolarHBondContact O-CG 3.31Å; M252-Q256 PolarHBondContact O-N 3.12Å; I253-Q256 PolarHBondContact O-N 3.32Å
257F92Very high94.7Very high25 Ų2552.9 Ų52.911%0.1126%0.257CS..Hα-helixtrans-111.7-1.1-174.4-68.9-84.7000114.4L178 I179 V182 I216 I253 V259L178-F257 HydrophobicContact CB-CE1 4.04Å; L178-F257 HydrophobicContact CB-CE2 4.32Å; L178-F257 HydrophobicContact CB-CZ 3.54Å; L178-F257 HydrophobicContact CD1-CE1 4.25Å; L178-F257 HydrophobicContact CD1-CZ 4.43Å; I179-F257 HydrophobicContact CG1-CE1 4.3Å; I179-F257 HydrophobicContact CG1-CZ 3.8Å; V182-F257 HydrophobicContact CG2-CE2 3.9Å; I216-F257 HydrophobicContact CD1-CD2 4.28Å; I216-F257 HydrophobicContact CD1-CE2 3.69Å; I216-F257 HydrophobicContact CD1-CZ 4.01Å; I216-F257 HydrophobicContact CG1-CD2 4.36Å; I216-F257 HydrophobicContact CG1-CE2 4.24Å; I216-F257 HydrophobicContact CG2-CD1 3.71Å; I216-F257 HydrophobicContact CG2-CD2 4.16Å; I216-F257 HydrophobicContact CG2-CE1 3.64Å; I216-F257 HydrophobicContact CG2-CE2 4.11Å; I216-F257 HydrophobicContact CG2-CG 3.96Å; I216-F257 HydrophobicContact CG2-CZ 3.85Å; I253-F257 HydrophobicContact CG2-CD2 4.28Å; I253-F257 PolarHBondContact O-N 2.93Å; F257-V259 HydrophobicContact CB-CG1 4.07Å; F257-V259 HydrophobicContact CB-CG2 4.21Å; F257-V259 PolarHBondContact O-N 3.49Å
258D93.1Very high94.5Very high157 Ų15750.8 Ų50.884%0.8425%0.249SC*.THydrogen-bonded Turntrans5252.6-176.6-166.734000112.3Q254Q254-D258 WeakPolarHBondContact O-CA 3.37Å; Q254-D258 PolarHBondContact O-N 3.08Å
259V94.1Very high94.4Very high10 Ų1046.2 Ų46.26%0.06123%0.229CC..  trans-119.1152-177.9-66.30000111.7L219 R220 I253 Q254 F257 I261L219-V259 HydrophobicContact CB-CB 3.93Å; L219-V259 HydrophobicContact CB-CG1 3.96Å; L219-V259 HydrophobicContact CB-CG2 4.11Å; L219-V259 HydrophobicContact CD1-CG2 3.95Å; R220-V259 HydrophobicContact CG-CG1 3.92Å; I253-V259 HydrophobicContact CG2-CG2 4.08Å; Q254-V259 VanDerWaalsContact CG-O 3.27Å; Q254-V259 WeakPolarHBondContact CG-O 3.32Å; Q254-V259 PolarHBondContact O-N 3.29Å; F257-V259 HydrophobicContact CB-CG1 4.07Å; F257-V259 HydrophobicContact CB-CG2 4.21Å; F257-V259 PolarHBondContact O-N 3.49Å; V259-I261 HydrophobicContact CG2-CD1 4.22Å
260N93.6Very high94.3Very high104 Ų10446.1 Ų46.156%0.55623%0.228SC*.  trans-81.9139172.3-64.4-42.4000110.7L219 Y224L219-N260 WeakPolarHBondContact CD2-O 3.5Å; Y224-N260 HydrophobicContact CE1-CB 3.9Å; Y224-N260 PolarHBondContact OH-ND2 2.9Å
261I93.9Very high94.1Very high37 Ų3748.4 Ų48.419%0.1924%0.24CC..  trans-112.5126174.7-58.8-60.3000108.2L219 L250 I253 Q254 V259 E265 I266L219-I261 HydrophobicContact CD1-CD1 3.33Å; L250-I261 HydrophobicContact CB-CG1 4.34Å; L250-I261 HydrophobicContact CB-CG2 3.89Å; L250-I261 HydrophobicContact CD1-CG2 4.07Å; L250-I261 HydrophobicContact CD2-CD1 4.08Å; L250-I261 HydrophobicContact CD2-CG2 4.3Å; L250-I261 HydrophobicContact CG-CG2 4.31Å; I253-I261 HydrophobicContact CG2-CD1 4.44Å; Q254-I261 HydrophobicContact CB-CG1 3.82Å; V259-I261 HydrophobicContact CG2-CD1 4.22Å; I261-E265 HydrophobicContact CG2-CB 4.05Å; I261-I266 HydrophobicContact CG2-CG1 4.41Å
262S91.5Very high93.9Very high33 Ų3348.3 Ų48.323%0.23124%0.236CC..  trans-90.5161.4171.374.20000110.8S264 E265S262-S264 PolarHBondContact O-N 3.26Å; S262-S264 PolarHBondContact OG-N 3.49Å; S262-E265 WeakPolarHBondContact O-CB 3.44Å; S262-E265 PolarHBondContact O-N 3.18Å; S262-E265 VanDerWaalsContact O-N 3.08Å
263E90.8Very high93.8Very high88 Ų8846.9 Ų46.941%0.41123%0.229SC..Hα-helixtrans-60.1-30.7174.6-167.8167.3-155.600111.8V232 Y243 E265 I266 I267V232-E263 HydrophobicContact CG1-CG 3.64Å; V232-E263 WeakPolarHBondContact CG1-OE1 3.26Å; Y243-E263 PolarHBondContact OH-OE1 3.3Å; E263-E265 VanDerWaalsContact C-N 3.3Å; E263-E265 PolarHBondContact O-N 3.08Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 PolarHBondContact O-N 2.62Å; E263-I266 VanDerWaalsContact O-N 3.12Å; E263-I267 WeakPolarHBondContact O-CG1 3.48Å; E263-I267 PolarHBondContact O-N 3.22Å
264S92.2Very high93.7Very high10 Ų1048.2 Ų48.27%0.0724%0.235CC..Hα-helixtrans-58.3-40.5174.6-51.10000112.2A227 S262 I266 I267 Y268A227-S264 PolarHBondContact N-OG 3.49Å; S262-S264 PolarHBondContact O-N 3.26Å; S262-S264 PolarHBondContact OG-N 3.49Å; S264-I266 VanDerWaalsContact C-N 3.28Å; S264-I266 PolarHBondContact O-N 2.88Å; S264-I267 WeakPolarHBondContact O-CB 3.12Å; S264-I267 PolarHBondContact O-N 2.83Å; S264-I267 VanDerWaalsContact O-N 3.13Å; S264-Y268 WeakPolarHBondContact O-CD2 3.26Å; S264-Y268 PolarHBondContact O-N 3.44Å; S264-Y268 VanDerWaalsContact O-N 3.11Å
265E94.5Very high93.4Very high0 Ų048.3 Ų48.30%024%0.235CC..Hα-helixtrans-63.3-36177.5-57.3-60.1179.600112.6L215 R218 L219 I225 L250 I261 S262 E263 I267 Y268 L269L215-E265 HydrophobicContact CD1-CB 4.45Å; L215-E265 HydrophobicContact CD1-CG 4.18Å; L215-E265 WeakPolarHBondContact CD1-OE2 3.42Å; R218-E265 IonicContact CZ-OE1 2.75Å; R218-E265 IonicContact CZ-OE2 2.71Å; R218-E265 IonicContact NE-OE1 2.74Å; R218-E265 IonicContact NH2-OE1 3.44Å; R218-E265 PolarHBondContact NH2-OE1 3.12Å; R218-E265 IonicContact NH2-OE2 3.79Å; R218-E265 PolarHBondContact NH2-OE2 2.91Å; L219-E265 HydrophobicContact CD2-CG 4.36Å; I225-E265 VanDerWaalsContact CD1-OE2 3.26Å; I225-E265 WeakPolarHBondContact CD1-OE2 3.35Å; I225-E265 WeakPolarHBondContact CG1-OE1 3.49Å; L250-E265 HydrophobicContact CD1-CB 4.26Å; L250-E265 HydrophobicContact CD2-CB 4.29Å; I261-E265 HydrophobicContact CG2-CB 4.05Å; S262-E265 WeakPolarHBondContact O-CB 3.44Å; S262-E265 PolarHBondContact O-N 3.18Å; S262-E265 VanDerWaalsContact O-N 3.08Å; E263-E265 VanDerWaalsContact C-N 3.3Å; E263-E265 PolarHBondContact O-N 3.08Å; E265-I267 VanDerWaalsContact C-N 3.29Å; E265-I267 PolarHBondContact O-N 3.46Å; E265-Y268 PolarHBondContact O-N 3.02Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 PolarHBondContact O-N 3.11Å
266I95.3Very high93.2Very high11 Ų1140 Ų406%0.05620%0.199CC..Hα-helixtrans-60-44.9174.8-53.2168.7000109.6Y243 A246 Y247 L250 I261 E263 S264 L269 T270Y243-I266 HydrophobicContact CD1-CG2 4.38Å; Y243-I266 HydrophobicContact CD2-CG2 3.79Å; Y243-I266 HydrophobicContact CE1-CG2 4.14Å; Y243-I266 HydrophobicContact CE2-CB 4.26Å; Y243-I266 HydrophobicContact CE2-CG2 3.54Å; Y243-I266 HydrophobicContact CG-CG2 4.2Å; A246-I266 HydrophobicContact CB-CG2 4.02Å; Y247-I266 HydrophobicContact CD2-CD1 3.75Å; Y247-I266 HydrophobicContact CE2-CD1 4.38Å; L250-I266 HydrophobicContact CD1-CB 3.96Å; L250-I266 HydrophobicContact CD1-CG1 3.59Å; L250-I266 HydrophobicContact CD1-CG2 4.49Å; I261-I266 HydrophobicContact CG2-CG1 4.41Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 PolarHBondContact O-N 2.62Å; E263-I266 VanDerWaalsContact O-N 3.12Å; S264-I266 VanDerWaalsContact C-N 3.28Å; S264-I266 PolarHBondContact O-N 2.88Å; I266-L269 PolarHBondContact O-N 3.45Å; I266-T270 WeakPolarHBondContact O-CB 3.26Å; I266-T270 PolarHBondContact O-N 2.66Å; I266-T270 PolarHBondContact O-OG1 3.12Å
267I93.1Very high92.7Very high0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-63.1-47.4-179.9-60-49.2000112.2F231 V232 I235 Y243 E263 S264 E265 L269 T270 L271F231-I267 HydrophobicContact CD1-CG2 3.8Å; F231-I267 HydrophobicContact CE1-CG2 3.48Å; F231-I267 VanDerWaalsContact CE1-CG2 3.48Å; F231-I267 HydrophobicContact CZ-CG2 4.37Å; V232-I267 HydrophobicContact CB-CD1 4.37Å; V232-I267 HydrophobicContact CB-CG1 4.17Å; V232-I267 HydrophobicContact CG1-CD1 4.05Å; V232-I267 HydrophobicContact CG1-CG1 4.14Å; V232-I267 HydrophobicContact CG2-CG1 3.9Å; I235-I267 HydrophobicContact CB-CD1 4.04Å; I235-I267 HydrophobicContact CB-CG2 3.99Å; I235-I267 HydrophobicContact CG1-CG2 3.83Å; I235-I267 HydrophobicContact CG2-CD1 3.97Å; I235-I267 HydrophobicContact CG2-CG2 4.01Å; Y243-I267 HydrophobicContact CD2-CD1 3.88Å; Y243-I267 HydrophobicContact CE2-CD1 3.63Å; E263-I267 WeakPolarHBondContact O-CG1 3.48Å; E263-I267 PolarHBondContact O-N 3.22Å; S264-I267 WeakPolarHBondContact O-CB 3.12Å; S264-I267 PolarHBondContact O-N 2.83Å; S264-I267 VanDerWaalsContact O-N 3.13Å; E265-I267 VanDerWaalsContact C-N 3.29Å; E265-I267 PolarHBondContact O-N 3.46Å; I267-L269 PolarHBondContact O-N 3.13Å; I267-T270 VanDerWaalsContact O-CB 3.31Å; I267-T270 WeakPolarHBondContact O-CB 3.38Å; I267-T270 PolarHBondContact O-N 2.71Å; I267-L271 PolarHBondContact O-N 3.34Å; I267-L271 VanDerWaalsContact O-N 3.12Å
268Y92.7Very high91.7Very high85 Ų8542.6 Ų42.633%0.33321%0.212SC..Hα-helixtrans-64.3-41.7179.7-74.6-76.3000112I225 S264 E265 T270 L271 H272I225-Y268 HydrophobicContact CD1-CD2 3.19Å; I225-Y268 HydrophobicContact CD1-CE2 3.27Å; I225-Y268 HydrophobicContact CD1-CG 4.09Å; I225-Y268 HydrophobicContact CG1-CD2 4.19Å; I225-Y268 HydrophobicContact CG1-CE2 3.98Å; S264-Y268 WeakPolarHBondContact O-CD2 3.26Å; S264-Y268 PolarHBondContact O-N 3.44Å; S264-Y268 VanDerWaalsContact O-N 3.11Å; E265-Y268 PolarHBondContact O-N 3.02Å; Y268-T270 VanDerWaalsContact C-N 3.32Å; Y268-T270 PolarHBondContact O-N 3.43Å; Y268-L271 PolarHBondContact O-N 3.08Å; Y268-H272 PolarHBondContact O-CD2 3.38Å; Y268-H272 VanDerWaalsContact O-CD2 3.29Å; Y268-H272 PolarHBondContact O-N 3.24Å
269L95.8Very high90.3Very high0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-67.5-35.1175.9-171.663.9000111.7F208 A246 I249 L250 E265 I266 I267 L271 H272 I273F208-L269 HydrophobicContact CD2-CD1 4.27Å; F208-L269 HydrophobicContact CE2-CD1 3.8Å; A246-L269 HydrophobicContact CB-CB 4Å; A246-L269 HydrophobicContact CB-CD2 4.08Å; A246-L269 HydrophobicContact CB-CG 4.03Å; I249-L269 HydrophobicContact CB-CD2 3.95Å; I249-L269 HydrophobicContact CG2-CD2 3.87Å; L250-L269 HydrophobicContact CD1-CB 4.29Å; L250-L269 HydrophobicContact CD1-CD2 4.08Å; L250-L269 HydrophobicContact CD2-CD2 4.05Å; L250-L269 HydrophobicContact CG-CD2 3.67Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 PolarHBondContact O-N 3.11Å; I266-L269 PolarHBondContact O-N 3.45Å; I267-L269 PolarHBondContact O-N 3.13Å; L269-L271 VanDerWaalsContact C-N 3.27Å; L269-L271 PolarHBondContact O-N 3.22Å; L269-H272 HydrophobicContact CD1-CB 4.41Å; L269-H272 WeakPolarHBondContact O-CB 3.27Å; L269-H272 PolarHBondContact O-N 3.38Å; L269-H272 VanDerWaalsContact O-N 3.09Å; L269-I273 HydrophobicContact CG-CD1 4.11Å; L269-I273 HydrophobicContact CG-CG1 4.43Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.01Å
270T95.9Very high88.6Confident0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-55.6-44.7174.3-600000110.8I235 C242 Y243 I266 I267 Y268 H272 I273 H274I235-T270 HydrophobicContact CG2-CG2 3.61Å; C242-T270 HydrophobicContact CB-CG2 3.74Å; Y243-T270 WeakPolarHBondContact CA-OG1 3.25Å; I266-T270 WeakPolarHBondContact O-CB 3.26Å; I266-T270 PolarHBondContact O-N 2.66Å; I266-T270 PolarHBondContact O-OG1 3.12Å; I267-T270 VanDerWaalsContact O-CB 3.31Å; I267-T270 WeakPolarHBondContact O-CB 3.38Å; I267-T270 PolarHBondContact O-N 2.71Å; Y268-T270 VanDerWaalsContact C-N 3.32Å; Y268-T270 PolarHBondContact O-N 3.43Å; T270-H272 PolarHBondContact O-N 3.41Å; T270-I273 PolarHBondContact O-N 3.37Å; T270-H274 PolarHBondContact O-N 3.12Å
271L93Very high86.8Confident49 Ų4944 Ų4426%0.25721%0.21SC..Hα-helixtrans-62.7-42.6176.5-66.2174.9000111.6F231 I235 I267 Y268 L269 I273 H274 H275F231-L271 HydrophobicContact CZ-CD1 4.14Å; I235-L271 HydrophobicContact CD1-CD2 3.76Å; I267-L271 PolarHBondContact O-N 3.34Å; I267-L271 VanDerWaalsContact O-N 3.12Å; Y268-L271 PolarHBondContact O-N 3.08Å; L269-L271 VanDerWaalsContact C-N 3.27Å; L269-L271 PolarHBondContact O-N 3.22Å; L271-I273 VanDerWaalsContact C-N 3.3Å; L271-I273 PolarHBondContact O-N 3.28Å; L271-H274 PolarHBondContact O-N 3.47Å; L271-H275 PolarHBondContact O-CE1 3.42Å; L271-H275 PolarHBondContact O-ND1 3.05Å
272H92.6Very high84.9Confident53 Ų5349.9 Ų49.925%0.24524%0.237CC..Hα-helixtrans-60.9-39.2174.8-80-72.8000112.5F208 H211 Y268 L269 T270F208-H272 HydrophobicContact CD2-CB 4.45Å; H211-H272 AromaticContact CD2-CD2 3.65Å; H211-H272 AromaticContact CE1-CD2 3.56Å; H211-H272 AromaticContact CE1-NE2 3.67Å; H211-H272 AromaticContact CG-CD2 3.33Å; H211-H272 AromaticContact CG-CE1 3.96Å; H211-H272 AromaticContact CG-NE2 3.28Å; H211-H272 VanDerWaalsContact CG-NE2 3.28Å; H211-H272 AromaticContact ND1-CD2 3.29Å; H211-H272 PolarHBondContact ND1-CD2 3.3Å; H211-H272 VanDerWaalsContact ND1-CD2 3.29Å; H211-H272 AromaticContact ND1-CE1 3.98Å; H211-H272 AromaticContact ND1-NE2 2.99Å; H211-H272 PolarHBondContact ND1-NE2 3.35Å; H211-H272 AromaticContact NE2-CD2 3.79Å; Y268-H272 PolarHBondContact O-CD2 3.38Å; Y268-H272 VanDerWaalsContact O-CD2 3.29Å; Y268-H272 PolarHBondContact O-N 3.24Å; L269-H272 HydrophobicContact CD1-CB 4.41Å; L269-H272 WeakPolarHBondContact O-CB 3.27Å; L269-H272 PolarHBondContact O-N 3.38Å; L269-H272 VanDerWaalsContact O-N 3.09Å; T270-H272 PolarHBondContact O-N 3.41Å
273I95.7Very high82.8Confident0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-69.4-41.1179.4-66.3173.5000111.5I190 L194 C242 T245 A246 I249 L269 T270 L271 H275 F276I190-I273 HydrophobicContact CD1-CD1 4.48Å; I190-I273 HydrophobicContact CD1-CG1 3.98Å; I190-I273 HydrophobicContact CG1-CD1 4.3Å; I190-I273 HydrophobicContact CG1-CG1 4.13Å; I190-I273 HydrophobicContact CG1-CG2 4.3Å; L194-I273 HydrophobicContact CD1-CG2 3.92Å; C242-I273 HydrophobicContact CB-CB 4.3Å; C242-I273 HydrophobicContact CB-CG2 3.96Å; T245-I273 HydrophobicContact CG2-CD1 3.83Å; T245-I273 HydrophobicContact CG2-CG2 4.22Å; A246-I273 HydrophobicContact CB-CD1 3.8Å; I249-I273 HydrophobicContact CD1-CD1 4.01Å; L269-I273 HydrophobicContact CG-CD1 4.11Å; L269-I273 HydrophobicContact CG-CG1 4.43Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.01Å; T270-I273 PolarHBondContact O-N 3.37Å; L271-I273 VanDerWaalsContact C-N 3.3Å; L271-I273 PolarHBondContact O-N 3.28Å; I273-H275 PolarHBondContact O-N 3.39Å; I273-H275 VanDerWaalsContact O-N 3.17Å; I273-F276 WeakPolarHBondContact O-CB 3.43Å; I273-F276 PolarHBondContact O-N 3.46Å
274H93.5Very high82.4Confident27 Ų2754.1 Ų54.113%0.12527%0.271CS..Hα-helixtrans-57.9-31.6179.8178.455.6000113.3Y239 T270 L271 F276 E277 E278Y239-H274 AromaticContact CD1-CE1 3.7Å; Y239-H274 AromaticContact CD1-CG 3.84Å; Y239-H274 AromaticContact CD1-ND1 3.51Å; Y239-H274 AromaticContact CE1-CD2 3.73Å; Y239-H274 AromaticContact CE1-CE1 3.34Å; Y239-H274 WeakPolarHBondContact CE1-CE1 3.37Å; Y239-H274 AromaticContact CE1-CG 3.85Å; Y239-H274 AromaticContact CE1-ND1 3.61Å; Y239-H274 AromaticContact CE1-NE2 3.38Å; Y239-H274 WeakPolarHBondContact CE1-NE2 3.49Å; Y239-H274 AromaticContact CZ-NE2 3.94Å; T270-H274 PolarHBondContact O-N 3.12Å; L271-H274 PolarHBondContact O-N 3.47Å; H274-F276 PolarHBondContact O-N 3.05Å; H274-F276 VanDerWaalsContact O-N 3.16Å; H274-E277 IonicContact CE1-OE2 3.08Å; H274-E277 IonicContact ND1-OE2 3.89Å; H274-E277 PolarHBondContact ND1-OE2 3.41Å; H274-E277 WeakPolarHBondContact O-CA 3.48Å; H274-E277 VanDerWaalsContact O-CB 3.29Å; H274-E277 WeakPolarHBondContact O-CB 3.32Å; H274-E277 PolarHBondContact O-N 2.76Å; H274-E278 IonicContact NE2-OE1 3.57Å; H274-E278 PolarHBondContact O-N 2.96Å; H274-E278 VanDerWaalsContact O-N 3.14Å
275H90.3Very high81.9Confident84 Ų8456.4 Ų56.439%0.38928%0.281SS..Hα-helixtrans-64.4-19.1175.9-68.390.3000113.9Q204 L271 I273 E278Q204-H275 HydrophobicContact CG-CB 4.14Å; L271-H275 PolarHBondContact O-CE1 3.42Å; L271-H275 PolarHBondContact O-ND1 3.05Å; I273-H275 PolarHBondContact O-N 3.39Å; I273-H275 VanDerWaalsContact O-N 3.17Å; H275-E278 IonicContact CD2-OE2 2.66Å
276F90.6Very high81.2Confident14 Ų1459.5 Ų59.56%0.06130%0.297CS..Hα-helixtrans-79.3-27.9171.4-65.1-72.9000112.1I187 I190 L194 V198 Q204 F208 I273 H274I187-F276 HydrophobicContact CD1-CZ 4.49Å; I190-F276 HydrophobicContact CD1-CD2 4.43Å; I190-F276 HydrophobicContact CD1-CE2 4.29Å; I190-F276 HydrophobicContact CG2-CB 4.29Å; I190-F276 HydrophobicContact CG2-CD2 4.18Å; I190-F276 HydrophobicContact CG2-CG 4.33Å; L194-F276 HydrophobicContact CD1-CB 4.24Å; V198-F276 HydrophobicContact CB-CE1 4.48Å; V198-F276 HydrophobicContact CG1-CD1 3.91Å; V198-F276 HydrophobicContact CG1-CE1 3.47Å; V198-F276 VanDerWaalsContact CG1-CE1 3.47Å; V198-F276 HydrophobicContact CG1-CZ 4.27Å; V198-F276 HydrophobicContact CG2-CD1 3.89Å; V198-F276 HydrophobicContact CG2-CE1 4.17Å; V198-F276 HydrophobicContact CG2-CG 4.36Å; Q204-F276 HydrophobicContact CB-CD1 4.08Å; Q204-F276 HydrophobicContact CB-CE1 3.69Å; Q204-F276 HydrophobicContact CB-CZ 4.2Å; F208-F276 HydrophobicContact CB-CE2 3.89Å; F208-F276 HydrophobicContact CB-CZ 3.74Å; F208-F276 HydrophobicContact CD2-CE2 4.08Å; F208-F276 HydrophobicContact CG-CE2 4.04Å; F208-F276 HydrophobicContact CG-CZ 4.18Å; I273-F276 WeakPolarHBondContact O-CB 3.43Å; I273-F276 PolarHBondContact O-N 3.46Å; H274-F276 PolarHBondContact O-N 3.05Å; H274-F276 VanDerWaalsContact O-N 3.16Å
277E83.5Confident80.4Confident51 Ų5162.4 Ų62.424%0.23831%0.311CS..Hα-helixtrans-73.2-40.3176-171.9-178.6-155.200111.6L194 H274 R279 I280 N281L194-E277 HydrophobicContact CD1-CB 4.34Å; H274-E277 IonicContact CE1-OE2 3.08Å; H274-E277 IonicContact ND1-OE2 3.89Å; H274-E277 PolarHBondContact ND1-OE2 3.41Å; H274-E277 WeakPolarHBondContact O-CA 3.48Å; H274-E277 VanDerWaalsContact O-CB 3.29Å; H274-E277 WeakPolarHBondContact O-CB 3.32Å; H274-E277 PolarHBondContact O-N 2.76Å; E277-R279 PolarHBondContact O-N 3.17Å; E277-R279 VanDerWaalsContact O-N 3.15Å; E277-I280 VanDerWaalsContact O-CB 3.27Å; E277-I280 WeakPolarHBondContact O-CB 3.49Å; E277-I280 PolarHBondContact O-N 3.44Å; E277-N281 PolarHBondContact O-N 3.5Å
278E70.9Confident79.6Confident81 Ų8166.3 Ų66.338%0.37933%0.33SS..Hα-helixtrans-57.8-32.1-178.9-71.1-170.6142.900113.4H274 H275 I280 N281 Q282H274-E278 IonicContact NE2-OE1 3.57Å; H274-E278 PolarHBondContact O-N 2.96Å; H274-E278 VanDerWaalsContact O-N 3.14Å; H275-E278 IonicContact CD2-OE2 2.66Å; E278-I280 VanDerWaalsContact C-N 3.3Å; E278-I280 PolarHBondContact O-N 2.98Å; E278-N281 PolarHBondContact O-N 3.25Å; E278-Q282 WeakPolarHBondContact O-CG 3.32Å; E278-Q282 PolarHBondContact O-N 2.88Å
279R62.4Low78.7Confident106 Ų10665 Ų6540%0.433%0.33SS..THydrogen-bonded Turntrans-67.6-29.6175-80.7-159.2-177.8-161.84.9112.8D199 E277 N281 Q282 S283D199-R279 IonicContact OD2-NH1 2.75Å; E277-R279 PolarHBondContact O-N 3.17Å; E277-R279 VanDerWaalsContact O-N 3.15Å; R279-N281 VanDerWaalsContact C-N 3.28Å; R279-N281 PolarHBondContact O-N 3.31Å; R279-Q282 PolarHBondContact O-N 3.1Å; R279-S283 WeakPolarHBondContact O-CB 3.47Å; R279-S283 PolarHBondContact O-N 3.03Å; R279-S283 VanDerWaalsContact O-N 3.14Å; R279-S283 PolarHBondContact O-OG 2.97Å
280I58.1Low77.5Confident66 Ų6669.6 Ų69.634%0.33835%0.354SS..THydrogen-bonded Turntrans-66.6-36.8176.6-53.6170.9000109.8T196 E277 E278 Q282T196-I280 VanDerWaalsContact CB-CD1 3.5Å; T196-I280 HydrophobicContact CG2-CD1 4.09Å; E277-I280 VanDerWaalsContact O-CB 3.27Å; E277-I280 WeakPolarHBondContact O-CB 3.49Å; E277-I280 PolarHBondContact O-N 3.44Å; E278-I280 VanDerWaalsContact C-N 3.3Å; E278-I280 PolarHBondContact O-N 2.98Å; I280-Q282 VanDerWaalsContact C-N 3.33Å
281N56.7Low76.1Confident128 Ų12875 Ų7568%0.68438%0.381SS*.THydrogen-bonded Turntrans-83.9-7.3-178.6-65.3-36.3000113.7E277 E278 R279E277-N281 PolarHBondContact O-N 3.5Å; E278-N281 PolarHBondContact O-N 3.25Å; R279-N281 VanDerWaalsContact C-N 3.28Å; R279-N281 PolarHBondContact O-N 3.31Å
282Q54Low74.7Confident162 Ų16277.2 Ų77.276%0.75739%0.391SS*.THydrogen-bonded Turntrans-112.6-3.9179-67.7179.414.400113.8E278 R279 I280E278-Q282 WeakPolarHBondContact O-CG 3.32Å; E278-Q282 PolarHBondContact O-N 2.88Å; R279-Q282 PolarHBondContact O-N 3.1Å; I280-Q282 VanDerWaalsContact C-N 3.33Å
283S47.8Very low73Confident154 Ų15479.4 Ų79.4100%1.07740%0.404SS*.  trans-103.30176.8-50.40000110.8R279R279-S283 WeakPolarHBondContact O-CB 3.47Å; R279-S283 PolarHBondContact O-N 3.03Å; R279-S283 VanDerWaalsContact O-N 3.14Å; R279-S283 PolarHBondContact O-OG 2.97Å

Retrieved 283 of 283 residues in 59.9 ms (Link to these results)

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