A0A3Q0KCC8_SCHMA Loading...

BSD domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 690 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low59Low143 Ų143122.2 Ų122.270%0.70460%0.595SS**  018.50-84.1-170.8162.500115.7K3 N398M1-K3 PolarHBondContact O-N 3.34Å; M1-N398 PolarHBondContact N-ND2 3.38Å
2L32.4Very low61.5Low187 Ų187112.5 Ų112.598%0.97955%0.548SS*.THydrogen-bonded Turntrans-90.722.5-173.3-86.5153.5000116.8
3K34.8Very low63.5Low206 Ų206112.9 Ų112.990%0.89655%0.546SS*.THydrogen-bonded Turntrans-126.44.1170.8-85.1-174176-179.50115M1 K5M1-K3 PolarHBondContact O-N 3.34Å; K3-K5 VanDerWaalsContact C-N 3.28Å; K3-K5 PolarHBondContact O-N 2.99Å
4Q39.4Very low65.2Low130 Ų130109.5 Ų109.561%0.60753%0.528SS*.G310 helixtrans-82.915.5-175.1-77.7-175.7-21.400115.6E6Q4-E6 PolarHBondContact O-N 2.75Å; Q4-E6 VanDerWaalsContact O-N 3.11Å
5K48.9Very low67Low184 Ų184102.2 Ų102.280%0.849%0.493SS*.G310 helixtrans-70.9-2.1179.8-98.8-174.7176.5179.30114.7K3K3-K5 VanDerWaalsContact C-N 3.28Å; K3-K5 PolarHBondContact O-N 2.99Å
6E58.7Low68.4Low116 Ų116101.1 Ų101.154%0.54248%0.482SS..G310 helixtrans-120.437.6-179-64.6-161.3136.200113.6Q4 V8 R30Q4-E6 PolarHBondContact O-N 2.75Å; Q4-E6 VanDerWaalsContact O-N 3.11Å; E6-V8 PolarHBondContact O-N 3.24Å; E6-R30 IonicContact OE1-CZ 2.76Å; E6-R30 IonicContact OE1-NH2 2.89Å; E6-R30 PolarHBondContact OE1-NH2 3.43Å
7D70.2Confident69.6Low108 Ų10896.8 Ų96.858%0.57846%0.46SS*.  trans-71113.2166-157.36.4000109.1L9 N27 S28D7-L9 PolarHBondContact O-N 2.94Å; D7-N27 CarbonylContact O-C 3.43Å; D7-N27 VanDerWaalsContact O-CA 3.24Å; D7-N27 WeakPolarHBondContact O-CA 3.36Å; D7-S28 PolarHBondContact O-N 3.49Å
8V77.7Confident70.6Confident65 Ų65100.5 Ų100.539%0.39447%0.474SS..EExtended strand (participates in β ladder)trans-81.1102.9-179.9178.20000107.5E6 M11 Y25 N27E6-V8 PolarHBondContact O-N 3.24Å; V8-M11 HydrophobicContact CG1-CB 4.22Å; V8-Y25 HydrophobicContact CG1-CD1 3.69Å; V8-Y25 HydrophobicContact CG1-CE1 4.35Å; V8-Y25 HydrophobicContact CG2-CD1 4.12Å; V8-N27 WeakPolarHBondContact CG2-OD1 3.27Å
9L80.6Confident71.4Confident68 Ų68105.6 Ų105.636%0.35649%0.494SS..EExtended strand (participates in β ladder)trans-75.3-34.8-178.3-59.8174.2000112.2D7 V26 M98 L102D7-L9 PolarHBondContact O-N 2.94Å; L9-V26 WeakPolarHBondContact CA-O 3.33Å; L9-V26 WeakPolarHBondContact CB-O 3.41Å; L9-V26 PolarHBondContact N-O 2.94Å; L9-M98 HydrophobicContact CB-CE 4.03Å; L9-M98 HydrophobicContact CD1-CE 3.64Å; L9-M98 HydrophobicContact CG-CE 4.31Å; L9-L102 HydrophobicContact CD1-CD1 3.75Å; L9-L102 HydrophobicContact CD1-CD2 4.26Å
10L84.7Confident72.3Confident47 Ų47102.4 Ų102.425%0.24648%0.482CS..EExtended strand (participates in β ladder)trans-148.7130.4178.3-173.467.8000110.5V12 V26 N94 V95L10-V12 HydrophobicContact CD2-CG2 4Å; L10-V12 HydrophobicContact CG-CG2 3.94Å; L10-V26 HydrophobicContact CB-CB 4.08Å; L10-V26 HydrophobicContact CB-CG2 4.3Å; L10-V26 PolarHBondContact N-O 3.22Å; L10-V26 VanDerWaalsContact N-O 3.13Å; L10-V26 PolarHBondContact O-N 3.43Å; L10-N94 HydrophobicContact CD2-CB 4.29Å; L10-V95 HydrophobicContact CD2-CB 4.28Å; L10-V95 HydrophobicContact CD2-CG2 3.57Å
11M88.1Confident73.1Confident90 Ų90100 Ų10044%0.44347%0.472SS..EExtended strand (participates in β ladder)trans-117.1116.2173.3179.3-178.158.800109.1V8 T23 Y25V8-M11 HydrophobicContact CG1-CB 4.22Å; M11-T23 HydrophobicContact CG-CG2 3.5Å; M11-T23 HydrophobicContact SD-CG2 4.17Å; M11-Y25 HydrophobicContact CB-CD1 4.38Å; M11-Y25 HydrophobicContact CB-CE1 4.16Å; M11-Y25 HydrophobicContact CG-CD1 4.19Å; M11-Y25 HydrophobicContact CG-CE1 3.6Å; M11-Y25 HydrophobicContact SD-CE1 3.61Å; M11-Y25 PolarHBondContact SD-OH 2.97Å
12V88.6Confident75.9Confident6 Ų693.1 Ų93.14%0.03644%0.439CS..EExtended strand (participates in β ladder)trans-111.6112.4177.5-173.40000109.5L10 V15 T23 L24 F79 M91 V95L10-V12 HydrophobicContact CD2-CG2 4Å; L10-V12 HydrophobicContact CG-CG2 3.94Å; V12-V15 HydrophobicContact CB-CG2 4.04Å; V12-V15 HydrophobicContact CG1-CG2 3.68Å; V12-T23 CarbonylContact O-C 3.55Å; V12-T23 WeakPolarHBondContact O-CA 3.3Å; V12-T23 VanDerWaalsContact O-CG2 3.32Å; V12-T23 WeakPolarHBondContact O-CG2 3.39Å; V12-L24 HydrophobicContact CB-CB 4.5Å; V12-L24 PolarHBondContact N-O 2.69Å; V12-L24 PolarHBondContact O-N 3.47Å; V12-F79 HydrophobicContact CG1-CD1 3.96Å; V12-F79 HydrophobicContact CG1-CE1 3.97Å; V12-M91 HydrophobicContact CG1-CB 3.85Å; V12-M91 HydrophobicContact CG1-CG 3.93Å; V12-M91 HydrophobicContact CG1-SD 3.64Å; V12-V95 HydrophobicContact CG2-CG2 3.53Å
13K87.9Confident78.6Confident118 Ų11884.7 Ų84.751%0.51340%0.395SS..EExtended strand (participates in β ladder)trans-76.8160.1175.2-62.4-176.7-179.61800110.3T23K13-T23 HydrophobicContact CG-CG2 4.22Å
14H88Confident81.3Confident65 Ų6574.9 Ų74.930%0.30135%0.352SS..EExtended strand (participates in β ladder)trans60.944.6176.7-48.1108.4000114.3G22 S80 D81H14-G22 PolarHBondContact N-O 3.05Å; H14-S80 PolarHBondContact O-N 3.16Å; H14-S80 PolarHBondContact O-OG 3.26Å; H14-D81 HydrophobicContact CB-CB 4.45Å; H14-D81 IonicContact CE1-OD1 2.72Å; H14-D81 IonicContact CG-OD1 3.8Å; H14-D81 IonicContact ND1-OD1 3.09Å; H14-D81 PolarHBondContact ND1-OD1 3.35Å
15V90.9Very high83.8Confident0 Ų069.6 Ų69.60%033%0.327CS..EExtended strand (participates in β ladder)trans-103.4117172.7-177.50000109.2V12 G22 L24 W33 F77 Q78 F79V12-V15 HydrophobicContact CB-CG2 4.04Å; V12-V15 HydrophobicContact CG1-CG2 3.68Å; V15-G22 PolarHBondContact N-O 2.78Å; V15-G22 CarbonylContact O-C 3.54Å; V15-G22 WeakPolarHBondContact O-CA 3.38Å; V15-G22 PolarHBondContact O-N 3.24Å; V15-L24 HydrophobicContact CB-CB 4.14Å; V15-L24 HydrophobicContact CG1-CB 4.25Å; V15-L24 HydrophobicContact CG2-CB 3.88Å; V15-W33 PolarHBondContact O-NE1 3.4Å; V15-F77 HydrophobicContact CG1-CB 3.69Å; V15-F77 HydrophobicContact CG1-CD1 4.06Å; V15-F77 HydrophobicContact CG1-CG 4.27Å; V15-Q78 CarbonylContact C-O 3.56Å; V15-Q78 WeakPolarHBondContact CA-O 3.3Å; V15-F79 HydrophobicContact CG2-CD1 3.74Å; V15-F79 HydrophobicContact CG2-CE1 3.84Å
16R89.6Confident85.7Confident85 Ų8560.9 Ų60.932%0.32129%0.289SS..EExtended strand (participates in β ladder)trans-86.2130179.3-171.9174.9-71.5-175-2.9111.3V20 D21 Q78R16-V20 CarbonylContact C-O 3.24Å; R16-V20 VanDerWaalsContact CA-O 3.27Å; R16-V20 WeakPolarHBondContact CA-O 3.32Å; R16-D21 VanDerWaalsContact CB-OD1 3.25Å; R16-D21 WeakPolarHBondContact CB-OD1 3.44Å; R16-D21 WeakPolarHBondContact CG-OD1 3.49Å; R16-D21 IonicContact CZ-OD1 3.49Å; R16-D21 IonicContact CZ-OD2 3.82Å; R16-D21 IonicContact NE-OD1 2.75Å; R16-D21 PolarHBondContact NE-OD1 3.47Å; R16-D21 IonicContact NE-OD2 3.78Å; R16-D21 IonicContact NH2-OD1 3.34Å; R16-D21 PolarHBondContact NH2-OD1 2.91Å; R16-D21 IonicContact NH2-OD2 2.99Å; R16-D21 PolarHBondContact NH2-OD2 3.26Å; R16-Q78 HydrophobicContact CB-CB 4.23Å; R16-Q78 PolarHBondContact N-O 3.38Å; R16-Q78 PolarHBondContact O-N 2.9Å
17Y89.5Confident87.1Confident28 Ų2855.5 Ų55.511%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-126.5127.2168.7175.9-100.3000109.5K19 V20 W33 I43 F75 T76 F77Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 3.1Å; Y17-V20 PolarHBondContact N-O 3.47Å; Y17-V20 PolarHBondContact O-N 3.14Å; Y17-W33 HydrophobicContact CD1-CE3 4.45Å; Y17-W33 HydrophobicContact CD1-CZ3 4.36Å; Y17-I43 HydrophobicContact CD1-CD1 3.63Å; Y17-I43 HydrophobicContact CD1-CG1 4.48Å; Y17-I43 HydrophobicContact CD2-CD1 3.57Å; Y17-I43 HydrophobicContact CE1-CD1 3.56Å; Y17-I43 HydrophobicContact CE1-CG1 4.16Å; Y17-I43 HydrophobicContact CE2-CD1 3.52Å; Y17-I43 HydrophobicContact CG-CD1 3.62Å; Y17-I43 VanDerWaalsContact CZ-CD1 3.49Å; Y17-F75 HydrophobicContact CE2-CB 4.36Å; Y17-F75 HydrophobicContact CE2-CD1 4.06Å; Y17-F75 WeakPolarHBondContact OH-CD1 3.4Å; Y17-T76 WeakPolarHBondContact CD2-O 3.48Å; Y17-F77 HydrophobicContact CD2-CD1 4.3Å; Y17-F77 HydrophobicContact CD2-CE1 4.19Å
18K86.9Confident87.6Confident163 Ų16352.2 Ų52.271%0.70925%0.249SC*.THydrogen-bonded Turntrans4451.1-177.7-68.7-173.3176.2-179.20113.7V20K18-V20 PolarHBondContact O-N 3.18Å
19K86Confident87.8Confident197 Ų19750.4 Ų50.486%0.85724%0.244SC*.THydrogen-bonded Turntrans67.34.7-178.6-52.6179.6-179.7178.60116.3Y17Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 3.1Å
20V89.2Confident88.1Confident41 Ų4150.4 Ų50.425%0.24824%0.239CC..EExtended strand (participates in β ladder)trans-104130.1175.9-175.80000108.9R16 Y17 K18 W33 N35R16-V20 CarbonylContact C-O 3.24Å; R16-V20 VanDerWaalsContact CA-O 3.27Å; R16-V20 WeakPolarHBondContact CA-O 3.32Å; Y17-V20 PolarHBondContact N-O 3.47Å; Y17-V20 PolarHBondContact O-N 3.14Å; K18-V20 PolarHBondContact O-N 3.18Å; V20-W33 HydrophobicContact CB-CH2 3.98Å; V20-W33 HydrophobicContact CG1-CH2 3.87Å; V20-W33 WeakPolarHBondContact O-CZ2 3.41Å; V20-N35 HydrophobicContact CG1-CB 4.21Å; V20-N35 VanDerWaalsContact CG1-CG 3.4Å; V20-N35 WeakPolarHBondContact CG1-OD1 3.49Å
21D90Very high88.4Confident52 Ų5248.2 Ų48.228%0.27823%0.228SC..EExtended strand (participates in β ladder)trans-83.7137.1177.5-69.6-31.4000110.8R16 N35 Q36R16-D21 VanDerWaalsContact CB-OD1 3.25Å; R16-D21 WeakPolarHBondContact CB-OD1 3.44Å; R16-D21 WeakPolarHBondContact CG-OD1 3.49Å; R16-D21 IonicContact CZ-OD1 3.49Å; R16-D21 IonicContact CZ-OD2 3.82Å; R16-D21 IonicContact NE-OD1 2.75Å; R16-D21 PolarHBondContact NE-OD1 3.47Å; R16-D21 IonicContact NE-OD2 3.78Å; R16-D21 IonicContact NH2-OD1 3.34Å; R16-D21 PolarHBondContact NH2-OD1 2.91Å; R16-D21 IonicContact NH2-OD2 2.99Å; R16-D21 PolarHBondContact NH2-OD2 3.26Å; D21-N35 PolarHBondContact O-OD1 3.21Å; D21-Q36 PolarHBondContact O-N 3.4Å
22G91.2Very high88.5Confident0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-156.2-167.4-171.900000112.6H14 V15 R34H14-G22 PolarHBondContact N-O 3.05Å; V15-G22 PolarHBondContact N-O 2.78Å; V15-G22 CarbonylContact O-C 3.54Å; V15-G22 WeakPolarHBondContact O-CA 3.38Å; V15-G22 PolarHBondContact O-N 3.24Å; G22-R34 CarbonylContact C-O 3.59Å; G22-R34 WeakPolarHBondContact CA-O 3.47Å
23T90.6Very high88.7Confident10 Ų1043.7 Ų43.76%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-127.3129.2178.8-58.20000108.8M11 V12 K13 Y25 R34M11-T23 HydrophobicContact CG-CG2 3.5Å; M11-T23 HydrophobicContact SD-CG2 4.17Å; V12-T23 CarbonylContact O-C 3.55Å; V12-T23 WeakPolarHBondContact O-CA 3.3Å; V12-T23 VanDerWaalsContact O-CG2 3.32Å; V12-T23 WeakPolarHBondContact O-CG2 3.39Å; K13-T23 HydrophobicContact CG-CG2 4.22Å; T23-Y25 HydrophobicContact CG2-CD2 4.24Å; T23-Y25 HydrophobicContact CG2-CE1 4.48Å; T23-Y25 HydrophobicContact CG2-CE2 3.46Å; T23-Y25 VanDerWaalsContact CG2-CE2 3.46Å; T23-Y25 WeakPolarHBondContact CG2-OH 3.42Å; T23-Y25 WeakPolarHBondContact O-CD2 3.48Å; T23-R34 PolarHBondContact N-O 2.84Å; T23-R34 PolarHBondContact O-N 3.39Å
24L91.7Very high88.8Confident0 Ų041.9 Ų41.90%020%0.195CC..EExtended strand (participates in β ladder)trans-92.2127.7176.3-171.570.9000109.5V12 V15 V31 W33 F77 F79 V95V12-L24 HydrophobicContact CB-CB 4.5Å; V12-L24 PolarHBondContact N-O 2.69Å; V12-L24 PolarHBondContact O-N 3.47Å; V15-L24 HydrophobicContact CB-CB 4.14Å; V15-L24 HydrophobicContact CG1-CB 4.25Å; V15-L24 HydrophobicContact CG2-CB 3.88Å; L24-V31 HydrophobicContact CD1-CG1 3.63Å; L24-V31 HydrophobicContact CG-CG1 4.21Å; L24-W33 HydrophobicContact CD1-CB 3.98Å; L24-F77 HydrophobicContact CD1-CD1 4.05Å; L24-F77 HydrophobicContact CD1-CE1 3.83Å; L24-F77 HydrophobicContact CD1-CE2 4.31Å; L24-F77 HydrophobicContact CD1-CG 4.38Å; L24-F77 HydrophobicContact CD1-CZ 3.97Å; L24-F79 HydrophobicContact CD2-CZ 4.44Å; L24-V95 HydrophobicContact CD2-CG1 4.06Å; L24-V95 HydrophobicContact CD2-CG2 4.31Å
25Y90.6Very high88.8Confident19 Ų1939.3 Ų39.38%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-110.5125.7176.9-67.7-92.5000108.8V8 M11 T23 V31 A32 R34 F41V8-Y25 HydrophobicContact CG1-CD1 3.69Å; V8-Y25 HydrophobicContact CG1-CE1 4.35Å; V8-Y25 HydrophobicContact CG2-CD1 4.12Å; M11-Y25 HydrophobicContact CB-CD1 4.38Å; M11-Y25 HydrophobicContact CB-CE1 4.16Å; M11-Y25 HydrophobicContact CG-CD1 4.19Å; M11-Y25 HydrophobicContact CG-CE1 3.6Å; M11-Y25 HydrophobicContact SD-CE1 3.61Å; M11-Y25 PolarHBondContact SD-OH 2.97Å; T23-Y25 HydrophobicContact CG2-CD2 4.24Å; T23-Y25 HydrophobicContact CG2-CE1 4.48Å; T23-Y25 HydrophobicContact CG2-CE2 3.46Å; T23-Y25 VanDerWaalsContact CG2-CE2 3.46Å; T23-Y25 WeakPolarHBondContact CG2-OH 3.42Å; T23-Y25 WeakPolarHBondContact O-CD2 3.48Å; Y25-V31 CarbonylContact O-C 3.44Å; Y25-V31 WeakPolarHBondContact O-CA 3.49Å; Y25-A32 WeakPolarHBondContact CA-O 3.41Å; Y25-A32 PolarHBondContact N-O 3.03Å; Y25-A32 PolarHBondContact O-N 3.27Å; Y25-R34 HydrophobicContact CD2-CG 4.39Å; Y25-R34 VanDerWaalsContact CE2-CD 3.41Å; Y25-R34 HydrophobicContact CE2-CG 3.68Å; Y25-R34 VanDerWaalsContact CE2-NE 3.28Å; Y25-R34 PolarHBondContact OH-NE 2.86Å; Y25-R34 PolarHBondContact OH-NH2 2.99Å; Y25-F41 AromaticContact CD2-CE1 3.86Å; Y25-F41 HydrophobicContact CD2-CE1 3.86Å; Y25-F41 HydrophobicContact CE2-CE1 4.42Å; Y25-F41 HydrophobicContact CG-CE1 4.23Å
26V89.7Confident88.3Confident0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-105.8103.6167.4-174.20000106L9 L10 F47 V95 M98 L99 L102L9-V26 WeakPolarHBondContact CA-O 3.33Å; L9-V26 WeakPolarHBondContact CB-O 3.41Å; L9-V26 PolarHBondContact N-O 2.94Å; L10-V26 HydrophobicContact CB-CB 4.08Å; L10-V26 HydrophobicContact CB-CG2 4.3Å; L10-V26 PolarHBondContact N-O 3.22Å; L10-V26 VanDerWaalsContact N-O 3.13Å; L10-V26 PolarHBondContact O-N 3.43Å; V26-F47 HydrophobicContact CG1-CE1 4.37Å; V26-F47 HydrophobicContact CG1-CZ 3.88Å; V26-V95 HydrophobicContact CG2-CG1 4.21Å; V26-M98 HydrophobicContact CG1-CG 4.27Å; V26-L99 HydrophobicContact CG1-CD2 4.25Å; V26-L102 HydrophobicContact CG1-CD1 4.1Å
27N86.6Confident87.9Confident3 Ų346.8 Ų46.82%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-89.7175176.1-64.64.6000109.9D7 V8 G29 R30 F47D7-N27 CarbonylContact O-C 3.43Å; D7-N27 VanDerWaalsContact O-CA 3.24Å; D7-N27 WeakPolarHBondContact O-CA 3.36Å; V8-N27 WeakPolarHBondContact CG2-OD1 3.27Å; N27-G29 PolarHBondContact O-N 3.49Å; N27-R30 HydrophobicContact CB-CG 4.2Å; N27-R30 WeakPolarHBondContact CB-O 3.45Å; N27-R30 PolarHBondContact N-O 3.34Å; N27-F47 WeakPolarHBondContact O-CE2 3.29Å; N27-F47 VanDerWaalsContact O-CZ 3.23Å; N27-F47 WeakPolarHBondContact O-CZ 3.33Å
28S81.6Confident87.4Confident39 Ų3947 Ų4727%0.27324%0.237SC..SBendtrans-60.5-24.3175.661.60000115.1D7 F47 F106D7-S28 PolarHBondContact O-N 3.49Å; S28-F47 WeakPolarHBondContact O-CE2 3.48Å; S28-F106 WeakPolarHBondContact O-CE2 3.35Å; S28-F106 WeakPolarHBondContact O-CZ 3.22Å
29G81.6Confident86.8Confident27 Ų2745.8 Ų45.828%0.27824%0.238SC..SBendtrans-127.3-7.7-179.200000116.8N27 F47N27-G29 PolarHBondContact O-N 3.49Å; G29-F47 VanDerWaalsContact C-CE2 3.49Å; G29-F47 WeakPolarHBondContact O-CD2 3.35Å; G29-F47 PolarHBondContact O-N 2.97Å
30R88Confident86.5Confident68 Ų6840 Ų4026%0.25722%0.223SC..EExtended strand (participates in β ladder)trans-152.7153.1-176.265177.4177.3-171.7-3.5112.4E6 N27 S44 A45E6-R30 IonicContact OE1-CZ 2.76Å; E6-R30 IonicContact OE1-NH2 2.89Å; E6-R30 PolarHBondContact OE1-NH2 3.43Å; N27-R30 HydrophobicContact CB-CG 4.2Å; N27-R30 WeakPolarHBondContact CB-O 3.45Å; N27-R30 PolarHBondContact N-O 3.34Å; R30-S44 WeakPolarHBondContact CD-OG 3.4Å; R30-S44 PolarHBondContact NH1-OG 3.45Å; R30-A45 CarbonylContact C-O 3.58Å; R30-A45 WeakPolarHBondContact CA-O 3.33Å; R30-A45 WeakPolarHBondContact CB-O 3.44Å
31V89.8Confident86.1Confident2 Ų242 Ų421%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-96.2122163.3-173.60000108.2L24 Y25 A45 F47 I50 L67 L99L24-V31 HydrophobicContact CD1-CG1 3.63Å; L24-V31 HydrophobicContact CG-CG1 4.21Å; Y25-V31 CarbonylContact O-C 3.44Å; Y25-V31 WeakPolarHBondContact O-CA 3.49Å; V31-A45 PolarHBondContact N-O 2.88Å; V31-A45 PolarHBondContact O-N 3.4Å; V31-F47 HydrophobicContact CG2-CD1 4.11Å; V31-F47 HydrophobicContact CG2-CE1 3.42Å; V31-F47 VanDerWaalsContact CG2-CE1 3.42Å; V31-F47 HydrophobicContact CG2-CZ 4.26Å; V31-I50 HydrophobicContact CG2-CD1 4.14Å; V31-L67 HydrophobicContact CB-CD1 4.33Å; V31-L67 HydrophobicContact CG1-CD1 4.2Å; V31-L67 HydrophobicContact CG2-CD1 4.39Å; V31-L99 HydrophobicContact CG2-CD2 3.56Å
32A90.7Very high85.7Confident1 Ų146.7 Ų46.71%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-122.5142.2178.400000111Y25 F41 I43Y25-A32 WeakPolarHBondContact CA-O 3.41Å; Y25-A32 PolarHBondContact N-O 3.03Å; Y25-A32 PolarHBondContact O-N 3.27Å; A32-F41 HydrophobicContact CB-CB 4.44Å; A32-F41 HydrophobicContact CB-CD1 3.45Å; A32-F41 VanDerWaalsContact CB-CD1 3.45Å; A32-F41 HydrophobicContact CB-CE1 3.78Å; A32-F41 HydrophobicContact CB-CG 3.98Å; A32-I43 CarbonylContact C-O 3.48Å; A32-I43 WeakPolarHBondContact CA-O 3.47Å
33W92.2Very high85.4Confident0 Ų047.1 Ų47.10%024%0.244CC..EExtended strand (participates in β ladder)trans-122.9128.1175-179.891.7000109.4V15 Y17 V20 L24 N35 F41 R42 I43 F77V15-W33 PolarHBondContact O-NE1 3.4Å; Y17-W33 HydrophobicContact CD1-CE3 4.45Å; Y17-W33 HydrophobicContact CD1-CZ3 4.36Å; V20-W33 HydrophobicContact CB-CH2 3.98Å; V20-W33 HydrophobicContact CG1-CH2 3.87Å; V20-W33 WeakPolarHBondContact O-CZ2 3.41Å; L24-W33 HydrophobicContact CD1-CB 3.98Å; W33-N35 HydrophobicContact CH2-CB 3.96Å; W33-N35 HydrophobicContact CZ3-CB 4.11Å; W33-F41 WeakPolarHBondContact O-CA 3.27Å; W33-R42 HydrophobicContact CE3-CB 3.97Å; W33-R42 HydrophobicContact CZ3-CB 3.92Å; W33-R42 HydrophobicContact CZ3-CG 4.21Å; W33-R42 PolarHBondContact O-N 2.92Å; W33-I43 HydrophobicContact CB-CB 4.17Å; W33-I43 HydrophobicContact CB-CD1 4.23Å; W33-I43 HydrophobicContact CE3-CD1 4.42Å; W33-I43 PolarHBondContact N-O 3.29Å; W33-I43 PolarHBondContact O-N 2.83Å; W33-F77 HydrophobicContact CB-CE1 3.66Å; W33-F77 HydrophobicContact CB-CZ 4.35Å; W33-F77 AromaticContact CD1-CD1 3.91Å; W33-F77 AromaticContact CD1-CE1 3.87Å; W33-F77 HydrophobicContact CG-CD1 4.27Å; W33-F77 AromaticContact CG-CE1 3.79Å; W33-F77 HydrophobicContact CG-CE1 3.79Å
34R90.4Very high85.2Confident79 Ų7949.5 Ų49.530%0.29826%0.261SS..EExtended strand (participates in β ladder)trans-114.6143.8176.282.5-174178150-4.3110.5G22 T23 Y25 D39 F41G22-R34 CarbonylContact C-O 3.59Å; G22-R34 WeakPolarHBondContact CA-O 3.47Å; T23-R34 PolarHBondContact N-O 2.84Å; T23-R34 PolarHBondContact O-N 3.39Å; Y25-R34 HydrophobicContact CD2-CG 4.39Å; Y25-R34 VanDerWaalsContact CE2-CD 3.41Å; Y25-R34 HydrophobicContact CE2-CG 3.68Å; Y25-R34 VanDerWaalsContact CE2-NE 3.28Å; Y25-R34 PolarHBondContact OH-NE 2.86Å; Y25-R34 PolarHBondContact OH-NH2 2.99Å; R34-D39 IonicContact NH1-OD1 2.87Å; R34-D39 PolarHBondContact NH1-OD1 2.96Å; R34-D39 VanDerWaalsContact NH1-OD1 3.13Å; R34-F41 HydrophobicContact CB-CD1 3.92Å; R34-F41 HydrophobicContact CB-CE1 4.25Å
35N87.4Confident85Confident12 Ų1249.8 Ų49.86%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-74.5150171.7177.98000109.4V20 D21 W33 T37 S38V20-N35 HydrophobicContact CG1-CB 4.21Å; V20-N35 VanDerWaalsContact CG1-CG 3.4Å; V20-N35 WeakPolarHBondContact CG1-OD1 3.49Å; D21-N35 PolarHBondContact O-OD1 3.21Å; W33-N35 HydrophobicContact CH2-CB 3.96Å; W33-N35 HydrophobicContact CZ3-CB 4.11Å; N35-T37 PolarHBondContact ND2-OG1 3.3Å; N35-T37 PolarHBondContact O-N 3.47Å; N35-T37 PolarHBondContact OD1-N 3.08Å; N35-S38 WeakPolarHBondContact CB-OG 3.25Å
36Q82.1Confident84.7Confident117 Ų11754.3 Ų54.355%0.54728%0.283SS..THydrogen-bonded Turntrans-62.7-29.7174.7-76.5-178.9-8.500113.1D21D21-Q36 PolarHBondContact O-N 3.4Å
37T80.7Confident84.5Confident124 Ų12454.5 Ų54.576%0.76128%0.284SS*.THydrogen-bonded Turntrans-90.8-11.8-175.968.10000114.3N35N35-T37 PolarHBondContact ND2-OG1 3.3Å; N35-T37 PolarHBondContact O-N 3.47Å; N35-T37 PolarHBondContact OD1-N 3.08Å
38S78Confident84.3Confident33 Ų3358 Ų5823%0.23130%0.3CS..  trans-131.9133.1-177.166.50000110.7N35 S40N35-S38 WeakPolarHBondContact CB-OG 3.25Å; S38-S40 PolarHBondContact O-N 2.8Å
39D75.7Confident84.3Confident138 Ų13859.6 Ų59.674%0.73831%0.306SS*.SBendtrans-78.2-1.5-179.9-141.315.8000113.4R34R34-D39 IonicContact NH1-OD1 2.87Å; R34-D39 PolarHBondContact NH1-OD1 2.96Å; R34-D39 VanDerWaalsContact NH1-OD1 3.13Å
40S79.1Confident84.4Confident76 Ų7658.9 Ų58.953%0.53130%0.295SS..SBendtrans-85.9138.6173.5600000112.6S38 R42S38-S40 PolarHBondContact O-N 2.8Å; S40-R42 PolarHBondContact O-N 3.2Å
41F80Confident84.2Confident81 Ų8164 Ų6436%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-71.5115.2171.3-62.4-74.5000109.8Y25 A32 W33 R34Y25-F41 AromaticContact CD2-CE1 3.86Å; Y25-F41 HydrophobicContact CD2-CE1 3.86Å; Y25-F41 HydrophobicContact CE2-CE1 4.42Å; Y25-F41 HydrophobicContact CG-CE1 4.23Å; A32-F41 HydrophobicContact CB-CB 4.44Å; A32-F41 HydrophobicContact CB-CD1 3.45Å; A32-F41 VanDerWaalsContact CB-CD1 3.45Å; A32-F41 HydrophobicContact CB-CE1 3.78Å; A32-F41 HydrophobicContact CB-CG 3.98Å; W33-F41 WeakPolarHBondContact O-CA 3.27Å; R34-F41 HydrophobicContact CB-CD1 3.92Å; R34-F41 HydrophobicContact CB-CE1 4.25Å
42R81.8Confident84Confident152 Ų15267.6 Ų67.657%0.57433%0.333SS*.EExtended strand (participates in β ladder)trans-76.1-27.3175.1-75.7-158.1-176.8174.9-4.2112.7W33 S40W33-R42 HydrophobicContact CE3-CB 3.97Å; W33-R42 HydrophobicContact CZ3-CB 3.92Å; W33-R42 HydrophobicContact CZ3-CG 4.21Å; W33-R42 PolarHBondContact O-N 2.92Å; S40-R42 PolarHBondContact O-N 3.2Å
43I85.4Confident83.9Confident9 Ų969 Ų695%0.04634%0.339CS..EExtended strand (participates in β ladder)trans-128.1130.3176.7-55165.6000106.9Y17 A32 W33 F75 F77Y17-I43 HydrophobicContact CD1-CD1 3.63Å; Y17-I43 HydrophobicContact CD1-CG1 4.48Å; Y17-I43 HydrophobicContact CD2-CD1 3.57Å; Y17-I43 HydrophobicContact CE1-CD1 3.56Å; Y17-I43 HydrophobicContact CE1-CG1 4.16Å; Y17-I43 HydrophobicContact CE2-CD1 3.52Å; Y17-I43 HydrophobicContact CG-CD1 3.62Å; Y17-I43 VanDerWaalsContact CZ-CD1 3.49Å; A32-I43 CarbonylContact C-O 3.48Å; A32-I43 WeakPolarHBondContact CA-O 3.47Å; W33-I43 HydrophobicContact CB-CB 4.17Å; W33-I43 HydrophobicContact CB-CD1 4.23Å; W33-I43 HydrophobicContact CE3-CD1 4.42Å; W33-I43 PolarHBondContact N-O 3.29Å; W33-I43 PolarHBondContact O-N 2.83Å; I43-F75 HydrophobicContact CD1-CD1 4.01Å; I43-F75 HydrophobicContact CD1-CG 4.5Å; I43-F75 HydrophobicContact CG1-CD1 4.28Å; I43-F75 HydrophobicContact CG1-CE1 4.42Å; I43-F75 HydrophobicContact CG2-CD1 4.05Å; I43-F75 HydrophobicContact CG2-CD2 4.14Å; I43-F75 HydrophobicContact CG2-CE1 4.14Å; I43-F75 HydrophobicContact CG2-CE2 4.21Å; I43-F75 HydrophobicContact CG2-CG 4.07Å; I43-F75 HydrophobicContact CG2-CZ 4.23Å; I43-F77 HydrophobicContact CD1-CE1 3.64Å; I43-F77 HydrophobicContact CD1-CZ 3.85Å; I43-F77 HydrophobicContact CG2-CZ 4.36Å
44S86.8Confident83.8Confident60 Ų6076 Ų7642%0.4237%0.366SS..EExtended strand (participates in β ladder)trans-138.195.7170.4166.90000107.3R30R30-S44 WeakPolarHBondContact CD-OG 3.4Å; R30-S44 PolarHBondContact NH1-OG 3.45Å
45A86.1Confident83.9Confident5 Ų575 Ų754%0.04137%0.366CS..EExtended strand (participates in β ladder)trans-98.3118.1175.600000109.3R30 V31 M69R30-A45 CarbonylContact C-O 3.58Å; R30-A45 WeakPolarHBondContact CA-O 3.33Å; R30-A45 WeakPolarHBondContact CB-O 3.44Å; V31-A45 PolarHBondContact N-O 2.88Å; V31-A45 PolarHBondContact O-N 3.4Å; A45-M69 HydrophobicContact CB-CE 4.35Å; A45-M69 HydrophobicContact CB-SD 3.8Å
46K85.4Confident83.9Confident114 Ų11474.7 Ų74.750%0.49637%0.365SS..EExtended strand (participates in β ladder)trans-70.1149.2172.1-62.7174.8-176.4170.20109.3E48 D49 I50K46-E48 PolarHBondContact O-N 3.2Å; K46-D49 PolarHBondContact O-N 3.36Å; K46-D49 VanDerWaalsContact O-N 3.1Å; K46-I50 WeakPolarHBondContact O-CG1 3.18Å
47F85.3Confident84.2Confident5 Ų573.2 Ų73.22%0.02237%0.365CS..G310 helixtrans-61.8-29.3179.3-65.8-50.4000113.5V26 N27 S28 G29 V31 D49 I50 L99 L102 L103 F106V26-F47 HydrophobicContact CG1-CE1 4.37Å; V26-F47 HydrophobicContact CG1-CZ 3.88Å; N27-F47 WeakPolarHBondContact O-CE2 3.29Å; N27-F47 VanDerWaalsContact O-CZ 3.23Å; N27-F47 WeakPolarHBondContact O-CZ 3.33Å; S28-F47 WeakPolarHBondContact O-CE2 3.48Å; G29-F47 VanDerWaalsContact C-CE2 3.49Å; G29-F47 WeakPolarHBondContact O-CD2 3.35Å; G29-F47 PolarHBondContact O-N 2.97Å; V31-F47 HydrophobicContact CG2-CD1 4.11Å; V31-F47 HydrophobicContact CG2-CE1 3.42Å; V31-F47 VanDerWaalsContact CG2-CE1 3.42Å; V31-F47 HydrophobicContact CG2-CZ 4.26Å; F47-D49 PolarHBondContact O-N 2.96Å; F47-I50 HydrophobicContact CD1-CD1 4.07Å; F47-I50 PolarHBondContact O-N 2.73Å; F47-L99 HydrophobicContact CD1-CD2 4.16Å; F47-L99 HydrophobicContact CE1-CD2 3.43Å; F47-L99 VanDerWaalsContact CE1-CD2 3.43Å; F47-L99 HydrophobicContact CZ-CD2 4.31Å; F47-L102 HydrophobicContact CE1-CD1 4.42Å; F47-L102 HydrophobicContact CE2-CB 4.3Å; F47-L102 HydrophobicContact CE2-CD1 3.82Å; F47-L102 HydrophobicContact CZ-CB 4.36Å; F47-L102 HydrophobicContact CZ-CD1 3.6Å; F47-L103 HydrophobicContact CB-CD2 4.48Å; F47-L103 HydrophobicContact CD1-CD2 4.38Å; F47-F106 HydrophobicContact CB-CB 3.88Å; F47-F106 HydrophobicContact CB-CD1 4.4Å; F47-F106 HydrophobicContact CB-CD2 3.59Å; F47-F106 HydrophobicContact CB-CE2 4.31Å; F47-F106 HydrophobicContact CB-CG 3.68Å; F47-F106 AromaticContact CD2-CD2 3.48Å; F47-F106 HydrophobicContact CD2-CD2 3.48Å; F47-F106 VanDerWaalsContact CD2-CD2 3.48Å; F47-F106 AromaticContact CD2-CE2 3.32Å; F47-F106 HydrophobicContact CD2-CE2 3.32Å; F47-F106 HydrophobicContact CD2-CG 4.24Å; F47-F106 AromaticContact CD2-CZ 3.94Å; F47-F106 HydrophobicContact CD2-CZ 3.94Å; F47-F106 HydrophobicContact CE2-CD2 4.45Å; F47-F106 AromaticContact CE2-CE2 3.97Å; F47-F106 HydrophobicContact CE2-CE2 3.97Å; F47-F106 AromaticContact CG-CD2 3.86Å; F47-F106 HydrophobicContact CG-CD2 3.86Å; F47-F106 HydrophobicContact CG-CE2 4.18Å; F47-F106 HydrophobicContact CG-CG 4.41Å
48E81.8Confident84.2Confident76 Ų7671.8 Ų71.836%0.35535%0.353SS..G310 helixtrans-60.4-32.5176-66.3161.3-171.300112.1K46 F106K46-E48 PolarHBondContact O-N 3.2Å; E48-F106 HydrophobicContact CG-CB 4.46Å; E48-F106 HydrophobicContact CG-CD1 4.43Å
49D82.4Confident84.4Confident73 Ų7378.8 Ų78.839%0.3938%0.382SS..G310 helixtrans-86.6-13.1-175.8-58.6-36.9000112.9K46 F47 R51 M69 H70K46-D49 PolarHBondContact O-N 3.36Å; K46-D49 VanDerWaalsContact O-N 3.1Å; F47-D49 PolarHBondContact O-N 2.96Å; D49-R51 PolarHBondContact O-N 2.96Å; D49-M69 HydrophobicContact CB-SD 4.48Å; D49-M69 CarbonylContact O-C 3.54Å; D49-M69 VanDerWaalsContact O-CA 3.3Å; D49-M69 WeakPolarHBondContact O-CA 3.34Å; D49-H70 VanDerWaalsContact C-ND1 3.32Å; D49-H70 PolarHBondContact O-N 3.46Å; D49-H70 PolarHBondContact O-ND1 2.92Å
50I84.1Confident84.8Confident11 Ų1177.3 Ų77.36%0.05637%0.369CS..EExtended strand (participates in β ladder)trans-83.1114.8-176.1-53.3-179.5000109.8V31 K46 F47 L67 M69 L103V31-I50 HydrophobicContact CG2-CD1 4.14Å; K46-I50 WeakPolarHBondContact O-CG1 3.18Å; F47-I50 HydrophobicContact CD1-CD1 4.07Å; F47-I50 PolarHBondContact O-N 2.73Å; I50-L67 HydrophobicContact CD1-CD1 4.13Å; I50-M69 HydrophobicContact CB-CE 4.18Å; I50-M69 HydrophobicContact CG1-CE 3.71Å; I50-M69 HydrophobicContact CG1-SD 4.23Å; I50-M69 HydrophobicContact CG2-CE 4.17Å; I50-L103 HydrophobicContact CB-CD2 3.69Å; I50-L103 HydrophobicContact CD1-CD2 4.19Å; I50-L103 HydrophobicContact CG1-CD2 4.42Å; I50-L103 HydrophobicContact CG2-CD1 4.43Å; I50-L103 HydrophobicContact CG2-CD2 3.88Å
51R82.5Confident84.9Confident176 Ų17681.8 Ų81.866%0.66438%0.381SS*.EExtended strand (participates in β ladder)trans-78.7-49.7177.9-176.4178.6177.3-176.51.2112.1D49 L68D49-R51 PolarHBondContact O-N 2.96Å; R51-L68 WeakPolarHBondContact CB-O 3.37Å; R51-L68 PolarHBondContact N-O 2.69Å
52I85.9Confident85.2Confident78 Ų7883.4 Ų83.440%0.439%0.389SS..EExtended strand (participates in β ladder)trans-154.4149.2-178.8-167.5167.5000110.3L68I52-L68 HydrophobicContact CG2-CB 3.7Å; I52-L68 HydrophobicContact CG2-CD2 3.65Å; I52-L68 HydrophobicContact CG2-CG 4.26Å; I52-L68 PolarHBondContact N-O 3.28Å; I52-L68 PolarHBondContact O-N 2.84Å
53Q89.2Confident85.6Confident29 Ų2976.2 Ų76.214%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-107141.4168.466.6176.720.700110.8L65 Q66 L67 K96 L103Q53-L65 HydrophobicContact CB-CD1 4.38Å; Q53-Q66 CarbonylContact C-O 3.59Å; Q53-Q66 WeakPolarHBondContact CA-O 3.38Å; Q53-L67 HydrophobicContact CB-CD2 3.86Å; Q53-K96 PolarHBondContact NE2-O 2.89Å; Q53-K96 VanDerWaalsContact NE2-O 3.14Å; Q53-L103 HydrophobicContact CG-CD1 4.48Å
54R90.1Very high85.9Confident147 Ų14778.3 Ų78.356%0.55537%0.371SS*.EExtended strand (participates in β ladder)trans-124139.8174.2-65.4-178.7176.9172.4-1.8109.3L65 Q66R54-L65 CarbonylContact O-C 3.55Å; R54-L65 WeakPolarHBondContact O-CA 3.39Å; R54-Q66 HydrophobicContact CB-CB 4.37Å; R54-Q66 PolarHBondContact N-O 2.88Å; R54-Q66 PolarHBondContact O-N 3.28Å
55I91.5Very high86.2Confident59 Ų5975.5 Ų75.530%0.30335%0.351SS..EExtended strand (participates in β ladder)trans-113151.7175.255.7167.3000109.8L65 R92 K96I55-L65 HydrophobicContact CG2-CD1 3.5Å; I55-R92 HydrophobicContact CG2-CG 4.36Å; I55-K96 HydrophobicContact CD1-CD 3.91Å; I55-K96 HydrophobicContact CG2-CB 4.31Å; I55-K96 HydrophobicContact CG2-CD 4.26Å; I55-K96 HydrophobicContact CG2-CG 4.04Å
56S88.8Confident86.5Confident5 Ų578 Ų784%0.03536%0.362CS..  trans-66.3144.3167.453.20000111.2K62 Q64 R92S56-K62 PolarHBondContact OG-O 3.25Å; S56-Q64 PolarHBondContact N-O 3.41Å; S56-Q64 PolarHBondContact OG-N 3.29Å; S56-Q64 PolarHBondContact OG-O 3.03Å; S56-R92 PolarHBondContact O-NH1 3.13Å
57P86.7Confident86.8Confident87 Ų8772.6 Ų72.657%0.56534%0.339SS*.  trans-56.5149167.3-21.832.3000111.3Q59 K60P57-Q59 PolarHBondContact O-N 2.85Å; P57-K60 WeakPolarHBondContact O-CB 3.37Å; P57-K60 PolarHBondContact O-N 2.94Å; P57-K60 VanDerWaalsContact O-N 3.1Å
58D82.7Confident87Confident93 Ų9374.4 Ų74.450%0.49735%0.348SS..THydrogen-bonded Turntrans-63.5-25.6-176.1-64.9-21.3000113.1K60 R85 R92D58-K60 VanDerWaalsContact C-N 3.33Å; D58-K60 PolarHBondContact O-N 3.08Å; D58-R85 PolarHBondContact O-NH2 2.87Å; D58-R92 IonicContact OD1-CZ 3.52Å; D58-R92 VanDerWaalsContact OD1-CZ 3.23Å; D58-R92 IonicContact OD1-NH1 2.93Å; D58-R92 PolarHBondContact OD1-NH1 3.3Å; D58-R92 IonicContact OD1-NH2 2.9Å; D58-R92 PolarHBondContact OD1-NH2 3.14Å
59Q82.1Confident87.2Confident180 Ų18071.2 Ų71.284%0.84133%0.333SS*.THydrogen-bonded Turntrans-71.5-23.1178-67.4169.6-5.100113.4P57 R85P57-Q59 PolarHBondContact O-N 2.85Å; Q59-R85 VanDerWaalsContact C-NH2 3.34Å; Q59-R85 PolarHBondContact O-NH2 3.46Å; Q59-R85 VanDerWaalsContact O-NH2 3.14Å
60K83.1Confident87.1Confident108 Ų10873.6 Ų73.647%0.4734%0.342SS..SBendtrans-73.8132.6-175.9-159.6172-173.3175.70110.1P57 D58 K62P57-K60 WeakPolarHBondContact O-CB 3.37Å; P57-K60 PolarHBondContact O-N 2.94Å; P57-K60 VanDerWaalsContact O-N 3.1Å; D58-K60 VanDerWaalsContact C-N 3.33Å; D58-K60 PolarHBondContact O-N 3.08Å; K60-K62 PolarHBondContact O-N 3.26Å
61E82Confident87Confident169 Ų16977.3 Ų77.379%0.7937%0.369SS*.SBendtrans-58.7-36.5-178.9-170.1-175.7-177.500112.5
62K85.9Confident87Confident116 Ų11671.8 Ų71.850%0.50437%0.366SS..SBendtrans-90.2111176.8-63-178.9-176.8176.90110.5S56 K60 Q64S56-K62 PolarHBondContact OG-O 3.25Å; K60-K62 PolarHBondContact O-N 3.26Å; K62-Q64 PolarHBondContact O-N 3.35Å
63V90.9Very high87.1Confident1 Ų173.6 Ų73.61%0.00637%0.373CS..  trans-77.8112.1173.1-1730000109.2Q78 F79 Q88 L89 R92V63-Q78 CarbonylContact O-C 3.58Å; V63-Q78 WeakPolarHBondContact O-CA 3.25Å; V63-F79 HydrophobicContact CB-CB 4.43Å; V63-F79 HydrophobicContact CG1-CB 4.3Å; V63-F79 HydrophobicContact CG1-CD2 4.23Å; V63-F79 PolarHBondContact O-N 2.89Å; V63-Q88 HydrophobicContact CB-CB 4.26Å; V63-Q88 HydrophobicContact CG1-CB 4.47Å; V63-Q88 HydrophobicContact CG2-CB 4.03Å; V63-L89 HydrophobicContact CG1-CD2 4.14Å; V63-L89 HydrophobicContact CG2-CD2 3.92Å; V63-L89 HydrophobicContact CG2-CG 4.17Å; V63-R92 HydrophobicContact CG1-CB 3.71Å; V63-R92 HydrophobicContact CG1-CG 4.06Å
64Q91.6Very high87.1Confident53 Ų5374.9 Ų74.925%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-138148-175.856.4177.720.300113.4S56 K62 T76 F77S56-Q64 PolarHBondContact N-O 3.41Å; S56-Q64 PolarHBondContact OG-N 3.29Å; S56-Q64 PolarHBondContact OG-O 3.03Å; K62-Q64 PolarHBondContact O-N 3.35Å; Q64-T76 HydrophobicContact CB-CG2 4.13Å; Q64-F77 CarbonylContact C-O 3.55Å; Q64-F77 WeakPolarHBondContact CA-O 3.49Å; Q64-F77 WeakPolarHBondContact CB-O 3.43Å
65L92.5Very high87.1Confident1 Ų169.4 Ų69.41%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-120.7123.5171.9175.977.4000108.5Q53 R54 I55 L67 F77 F79 V95 L99Q53-L65 HydrophobicContact CB-CD1 4.38Å; R54-L65 CarbonylContact O-C 3.55Å; R54-L65 WeakPolarHBondContact O-CA 3.39Å; I55-L65 HydrophobicContact CG2-CD1 3.5Å; L65-L67 HydrophobicContact CD2-CD2 4.3Å; L65-L67 HydrophobicContact CG-CD2 4.35Å; L65-F77 PolarHBondContact N-O 3.29Å; L65-F77 PolarHBondContact O-N 2.98Å; L65-F79 HydrophobicContact CB-CE2 3.67Å; L65-F79 HydrophobicContact CB-CZ 4.19Å; L65-F79 HydrophobicContact CD2-CZ 4.45Å; L65-V95 HydrophobicContact CD2-CB 4.47Å; L65-V95 HydrophobicContact CD2-CG1 3.57Å; L65-L99 HydrophobicContact CD2-CD1 3.97Å
66Q92.1Very high87.2Confident57 Ų5768.9 Ų68.927%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-108.4124.2176.4-173.7178.826.400110Q53 R54 S74 F75 T76Q53-Q66 CarbonylContact C-O 3.59Å; Q53-Q66 WeakPolarHBondContact CA-O 3.38Å; R54-Q66 HydrophobicContact CB-CB 4.37Å; R54-Q66 PolarHBondContact N-O 2.88Å; R54-Q66 PolarHBondContact O-N 3.28Å; Q66-S74 PolarHBondContact NE2-OG 3.09Å; Q66-F75 CarbonylContact C-O 3.59Å; Q66-F75 VanDerWaalsContact CA-O 3.25Å; Q66-F75 WeakPolarHBondContact CA-O 3.25Å; Q66-T76 WeakPolarHBondContact CG-OG1 3.37Å
67L91Very high87.4Confident1 Ų168.7 Ų68.71%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-99.3123.9171-54.6179.9000108.7V31 I50 Q53 L65 M69 S74 F75 F77 L99V31-L67 HydrophobicContact CB-CD1 4.33Å; V31-L67 HydrophobicContact CG1-CD1 4.2Å; V31-L67 HydrophobicContact CG2-CD1 4.39Å; I50-L67 HydrophobicContact CD1-CD1 4.13Å; Q53-L67 HydrophobicContact CB-CD2 3.86Å; L65-L67 HydrophobicContact CD2-CD2 4.3Å; L65-L67 HydrophobicContact CG-CD2 4.35Å; L67-M69 HydrophobicContact CB-CE 3.47Å; L67-M69 VanDerWaalsContact CB-CE 3.47Å; L67-S74 CarbonylContact O-C 3.2Å; L67-S74 VanDerWaalsContact O-CA 3.3Å; L67-S74 WeakPolarHBondContact O-CA 3.11Å; L67-F75 PolarHBondContact N-O 3.38Å; L67-F75 PolarHBondContact O-N 3.48Å; L67-F77 HydrophobicContact CD1-CE2 3.76Å; L67-F77 HydrophobicContact CG-CD2 4.48Å; L67-F77 HydrophobicContact CG-CE2 4.07Å; L67-L99 HydrophobicContact CD2-CD1 3.92Å
68L89.6Confident87.6Confident42 Ų4267 Ų6722%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-100122174-175.869.8000109R51 I52R51-L68 WeakPolarHBondContact CB-O 3.37Å; R51-L68 PolarHBondContact N-O 2.69Å; I52-L68 HydrophobicContact CG2-CB 3.7Å; I52-L68 HydrophobicContact CG2-CD2 3.65Å; I52-L68 HydrophobicContact CG2-CG 4.26Å; I52-L68 PolarHBondContact N-O 3.28Å; I52-L68 PolarHBondContact O-N 2.84Å
69M87Confident88.1Confident9 Ų962.6 Ų62.64%0.04433%0.325CS..EExtended strand (participates in β ladder)trans-84.2162.2179.1-54.9-6195.600111.4A45 D49 I50 L67 S71 G72 E73 F75A45-M69 HydrophobicContact CB-CE 4.35Å; A45-M69 HydrophobicContact CB-SD 3.8Å; D49-M69 HydrophobicContact CB-SD 4.48Å; D49-M69 CarbonylContact O-C 3.54Å; D49-M69 VanDerWaalsContact O-CA 3.3Å; D49-M69 WeakPolarHBondContact O-CA 3.34Å; I50-M69 HydrophobicContact CB-CE 4.18Å; I50-M69 HydrophobicContact CG1-CE 3.71Å; I50-M69 HydrophobicContact CG1-SD 4.23Å; I50-M69 HydrophobicContact CG2-CE 4.17Å; L67-M69 HydrophobicContact CB-CE 3.47Å; L67-M69 VanDerWaalsContact CB-CE 3.47Å; M69-S71 WeakPolarHBondContact CB-OG 3.38Å; M69-S71 PolarHBondContact O-N 3.46Å; M69-G72 PolarHBondContact O-N 3.41Å; M69-E73 HydrophobicContact CB-CB 4.44Å; M69-E73 WeakPolarHBondContact CB-O 3.48Å; M69-E73 HydrophobicContact CG-CB 4.23Å; M69-E73 PolarHBondContact N-O 2.83Å; M69-F75 HydrophobicContact CE-CD2 4.05Å; M69-F75 HydrophobicContact CE-CE2 4.44Å; M69-F75 HydrophobicContact CG-CD2 4.03Å; M69-F75 HydrophobicContact CG-CE2 3.62Å; M69-F75 HydrophobicContact SD-CD2 4.04Å; M69-F75 HydrophobicContact SD-CE2 3.83Å
70H80.6Confident88.3Confident124 Ų12455.6 Ų55.657%0.57430%0.296SS*.THydrogen-bonded Turntrans-65.6-26168.5-71.792.5000112.6D49 G72D49-H70 VanDerWaalsContact C-ND1 3.32Å; D49-H70 PolarHBondContact O-N 3.46Å; D49-H70 PolarHBondContact O-ND1 2.92Å; H70-G72 PolarHBondContact O-N 3.44Å
71S81.4Confident88.5Confident89 Ų8950.9 Ų50.962%0.62228%0.276SS*.THydrogen-bonded Turntrans-69.2-9.1175.160.80000114.4M69 E73M69-S71 WeakPolarHBondContact CB-OG 3.38Å; M69-S71 PolarHBondContact O-N 3.46Å; S71-E73 VanDerWaalsContact C-N 3.32Å; S71-E73 PolarHBondContact OG-N 2.73Å
72G82.6Confident88.6Confident59 Ų5948 Ų4861%0.60827%0.272SS*.SBendtrans89.1-10-17300000114.2M69 H70M69-G72 PolarHBondContact O-N 3.41Å; H70-G72 PolarHBondContact O-N 3.44Å
73E86.9Confident88.2Confident117 Ų11744.8 Ų44.855%0.54727%0.271SS..  trans-68147.2173.3-63.7-170.3141.100111.6M69 S71 F75M69-E73 HydrophobicContact CB-CB 4.44Å; M69-E73 WeakPolarHBondContact CB-O 3.48Å; M69-E73 HydrophobicContact CG-CB 4.23Å; M69-E73 PolarHBondContact N-O 2.83Å; S71-E73 VanDerWaalsContact C-N 3.32Å; S71-E73 PolarHBondContact OG-N 2.73Å; E73-F75 HydrophobicContact CB-CZ 4.46Å
74S90Very high88Confident56 Ų5646.4 Ų46.439%0.39229%0.288SS..EExtended strand (participates in β ladder)trans-130.7128.117570.70000112.4Q66 L67Q66-S74 PolarHBondContact NE2-OG 3.09Å; L67-S74 CarbonylContact O-C 3.2Å; L67-S74 VanDerWaalsContact O-CA 3.3Å; L67-S74 WeakPolarHBondContact O-CA 3.11Å
75F90.7Very high87.7Confident31 Ų3149.7 Ų49.714%0.13630%0.298CS..EExtended strand (participates in β ladder)trans-106.5115.2179.3-59-65.3000109.5Y17 I43 Q66 L67 M69 E73 F77Y17-F75 HydrophobicContact CE2-CB 4.36Å; Y17-F75 HydrophobicContact CE2-CD1 4.06Å; Y17-F75 WeakPolarHBondContact OH-CD1 3.4Å; I43-F75 HydrophobicContact CD1-CD1 4.01Å; I43-F75 HydrophobicContact CD1-CG 4.5Å; I43-F75 HydrophobicContact CG1-CD1 4.28Å; I43-F75 HydrophobicContact CG1-CE1 4.42Å; I43-F75 HydrophobicContact CG2-CD1 4.05Å; I43-F75 HydrophobicContact CG2-CD2 4.14Å; I43-F75 HydrophobicContact CG2-CE1 4.14Å; I43-F75 HydrophobicContact CG2-CE2 4.21Å; I43-F75 HydrophobicContact CG2-CG 4.07Å; I43-F75 HydrophobicContact CG2-CZ 4.23Å; Q66-F75 CarbonylContact C-O 3.59Å; Q66-F75 VanDerWaalsContact CA-O 3.25Å; Q66-F75 WeakPolarHBondContact CA-O 3.25Å; L67-F75 PolarHBondContact N-O 3.38Å; L67-F75 PolarHBondContact O-N 3.48Å; M69-F75 HydrophobicContact CE-CD2 4.05Å; M69-F75 HydrophobicContact CE-CE2 4.44Å; M69-F75 HydrophobicContact CG-CD2 4.03Å; M69-F75 HydrophobicContact CG-CE2 3.62Å; M69-F75 HydrophobicContact SD-CD2 4.04Å; M69-F75 HydrophobicContact SD-CE2 3.83Å; E73-F75 HydrophobicContact CB-CZ 4.46Å; F75-F77 HydrophobicContact CB-CE2 3.83Å; F75-F77 HydrophobicContact CB-CZ 3.95Å
76T92.6Very high87.4Confident48 Ų4857.5 Ų57.529%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-105.5115.2178.5-53.60000110.4Y17 Q64 Q66Y17-T76 WeakPolarHBondContact CD2-O 3.48Å; Q64-T76 HydrophobicContact CB-CG2 4.13Å; Q66-T76 WeakPolarHBondContact CG-OG1 3.37Å
77F93Very high87.1Confident2 Ų259 Ų591%0.00934%0.341CS..EExtended strand (participates in β ladder)trans-101.8124.2178.3-60.2-73.2000109.9V15 Y17 L24 W33 I43 Q64 L65 L67 F75V15-F77 HydrophobicContact CG1-CB 3.69Å; V15-F77 HydrophobicContact CG1-CD1 4.06Å; V15-F77 HydrophobicContact CG1-CG 4.27Å; Y17-F77 HydrophobicContact CD2-CD1 4.3Å; Y17-F77 HydrophobicContact CD2-CE1 4.19Å; L24-F77 HydrophobicContact CD1-CD1 4.05Å; L24-F77 HydrophobicContact CD1-CE1 3.83Å; L24-F77 HydrophobicContact CD1-CE2 4.31Å; L24-F77 HydrophobicContact CD1-CG 4.38Å; L24-F77 HydrophobicContact CD1-CZ 3.97Å; W33-F77 HydrophobicContact CB-CE1 3.66Å; W33-F77 HydrophobicContact CB-CZ 4.35Å; W33-F77 AromaticContact CD1-CD1 3.91Å; W33-F77 AromaticContact CD1-CE1 3.87Å; W33-F77 HydrophobicContact CG-CD1 4.27Å; W33-F77 AromaticContact CG-CE1 3.79Å; W33-F77 HydrophobicContact CG-CE1 3.79Å; I43-F77 HydrophobicContact CD1-CE1 3.64Å; I43-F77 HydrophobicContact CD1-CZ 3.85Å; I43-F77 HydrophobicContact CG2-CZ 4.36Å; Q64-F77 CarbonylContact C-O 3.55Å; Q64-F77 WeakPolarHBondContact CA-O 3.49Å; Q64-F77 WeakPolarHBondContact CB-O 3.43Å; L65-F77 PolarHBondContact N-O 3.29Å; L65-F77 PolarHBondContact O-N 2.98Å; L67-F77 HydrophobicContact CD1-CE2 3.76Å; L67-F77 HydrophobicContact CG-CD2 4.48Å; L67-F77 HydrophobicContact CG-CE2 4.07Å; F75-F77 HydrophobicContact CB-CE2 3.83Å; F75-F77 HydrophobicContact CB-CZ 3.95Å
78Q91.8Very high87Confident51 Ų5160.7 Ų60.724%0.23835%0.348CS..EExtended strand (participates in β ladder)trans-101.9127.5175.2177.1-1761.500109.5V15 R16 V63V15-Q78 CarbonylContact C-O 3.56Å; V15-Q78 WeakPolarHBondContact CA-O 3.3Å; R16-Q78 HydrophobicContact CB-CB 4.23Å; R16-Q78 PolarHBondContact N-O 3.38Å; R16-Q78 PolarHBondContact O-N 2.9Å; V63-Q78 CarbonylContact O-C 3.58Å; V63-Q78 WeakPolarHBondContact O-CA 3.25Å
79F92.7Very high86.9Confident1 Ų160.3 Ų60.30%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-88.8121.7177.9-61.3-94.5000109.2V12 V15 L24 V63 L65 Q88 M91 R92 V95V12-F79 HydrophobicContact CG1-CD1 3.96Å; V12-F79 HydrophobicContact CG1-CE1 3.97Å; V15-F79 HydrophobicContact CG2-CD1 3.74Å; V15-F79 HydrophobicContact CG2-CE1 3.84Å; L24-F79 HydrophobicContact CD2-CZ 4.44Å; V63-F79 HydrophobicContact CB-CB 4.43Å; V63-F79 HydrophobicContact CG1-CB 4.3Å; V63-F79 HydrophobicContact CG1-CD2 4.23Å; V63-F79 PolarHBondContact O-N 2.89Å; L65-F79 HydrophobicContact CB-CE2 3.67Å; L65-F79 HydrophobicContact CB-CZ 4.19Å; L65-F79 HydrophobicContact CD2-CZ 4.45Å; F79-Q88 HydrophobicContact CB-CB 4.31Å; F79-Q88 PolarHBondContact O-OE1 3.05Å; F79-M91 HydrophobicContact CD1-CB 4.11Å; F79-R92 HydrophobicContact CD2-CB 3.87Å; F79-R92 HydrophobicContact CD2-CG 4.16Å; F79-R92 HydrophobicContact CE2-CB 3.87Å; F79-R92 HydrophobicContact CE2-CG 3.87Å; F79-R92 HydrophobicContact CG-CB 4.34Å; F79-R92 HydrophobicContact CZ-CB 4.32Å; F79-V95 HydrophobicContact CE1-CG2 4.14Å; F79-V95 HydrophobicContact CZ-CB 4.47Å; F79-V95 HydrophobicContact CZ-CG2 4.28Å
80S87.1Confident87Confident32 Ų3265.1 Ų65.122%0.22437%0.369CS..  trans-135.650.6-176.6530000111.5H14H14-S80 PolarHBondContact O-N 3.16Å; H14-S80 PolarHBondContact O-OG 3.26Å
81D86.8Confident87.4Confident10 Ų1060.8 Ų60.85%0.05335%0.349CS..  trans-67.8138.7175.6-160.858.6000110.7H14 G83 K87 Q88 M91H14-D81 HydrophobicContact CB-CB 4.45Å; H14-D81 IonicContact CE1-OD1 2.72Å; H14-D81 IonicContact CG-OD1 3.8Å; H14-D81 IonicContact ND1-OD1 3.09Å; H14-D81 PolarHBondContact ND1-OD1 3.35Å; D81-G83 PolarHBondContact O-N 2.99Å; D81-K87 WeakPolarHBondContact OD2-CD 3.46Å; D81-K87 WeakPolarHBondContact OD2-CE 3.35Å; D81-K87 IonicContact OD2-NZ 3.33Å; D81-K87 PolarHBondContact OD2-NZ 2.97Å; D81-Q88 HydrophobicContact CB-CG 4.21Å; D81-Q88 PolarHBondContact O-NE2 3.26Å; D81-M91 HydrophobicContact CB-CE 4.13Å; D81-M91 HydrophobicContact CB-SD 3.76Å
82P83.2Confident87.8Confident109 Ų10956.6 Ų56.671%0.70832%0.32SS*.THydrogen-bonded Turntrans-66.3-12.7178.923.7-34.1000114.2G84P82-G84 PolarHBondContact O-N 2.69Å
83G78.5Confident88.1Confident47 Ų4756.8 Ų56.849%0.48531%0.307SS..THydrogen-bonded Turntrans-7518.617800000115.5D81D81-G83 PolarHBondContact O-N 2.99Å
84G86Confident88.3Confident36 Ų3654.9 Ų54.937%0.37130%0.3SS..Hα-helixtrans84.3178.2177.600000114.7P82 E86 K87 Q88P82-G84 PolarHBondContact O-N 2.69Å; G84-E86 VanDerWaalsContact C-N 3.34Å; G84-E86 PolarHBondContact O-N 2.81Å; G84-K87 PolarHBondContact O-N 3.24Å; G84-Q88 WeakPolarHBondContact O-CG 3.5Å; G84-Q88 PolarHBondContact O-N 3.44Å
85R84.7Confident88.2Confident122 Ų12252.2 Ų52.246%0.4628%0.282SS..Hα-helixtrans-64.3-35.9-173.9-174.2-177.9-178.91735.4113D58 Q59 Q88 L89D58-R85 PolarHBondContact O-NH2 2.87Å; Q59-R85 VanDerWaalsContact C-NH2 3.34Å; Q59-R85 PolarHBondContact O-NH2 3.46Å; Q59-R85 VanDerWaalsContact O-NH2 3.14Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 PolarHBondContact O-N 2.83Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 HydrophobicContact CG-CG 4.47Å; R85-L89 WeakPolarHBondContact O-CG 3.28Å; R85-L89 PolarHBondContact O-N 3.4Å
86E86.4Confident88.2Confident165 Ų16553.7 Ų53.777%0.77129%0.288SS*.Hα-helixtrans-61.5-47.4-179.1-173172.2-165.900111.1G84 Q88 L89 E90G84-E86 VanDerWaalsContact C-N 3.34Å; G84-E86 PolarHBondContact O-N 2.81Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; E86-Q88 PolarHBondContact O-N 3.31Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 PolarHBondContact O-N 3.36Å; E86-E90 PolarHBondContact O-N 3.18Å
87K86.2Confident88.1Confident89 Ų8953.5 Ų53.539%0.38729%0.291SS..Hα-helixtrans-67.1-33.9177.7-162.2168.2173.4-151.70112.8D81 G84 E90 M91D81-K87 WeakPolarHBondContact OD2-CD 3.46Å; D81-K87 WeakPolarHBondContact OD2-CE 3.35Å; D81-K87 IonicContact OD2-NZ 3.33Å; D81-K87 PolarHBondContact OD2-NZ 2.97Å; G84-K87 PolarHBondContact O-N 3.24Å; K87-E90 PolarHBondContact O-N 3.43Å; K87-M91 HydrophobicContact CG-CE 4.17Å; K87-M91 WeakPolarHBondContact O-CB 3.32Å; K87-M91 VanDerWaalsContact O-CG 3.24Å; K87-M91 WeakPolarHBondContact O-CG 3.43Å; K87-M91 PolarHBondContact O-N 3.18Å
88Q88.8Confident87.7Confident35 Ų3556 Ų5616%0.16430%0.304CS..Hα-helixtrans-63.4-42.5172.3-67.8168.914.500111.8V63 F79 D81 G84 R85 E86 R92V63-Q88 HydrophobicContact CB-CB 4.26Å; V63-Q88 HydrophobicContact CG1-CB 4.47Å; V63-Q88 HydrophobicContact CG2-CB 4.03Å; F79-Q88 HydrophobicContact CB-CB 4.31Å; F79-Q88 PolarHBondContact O-OE1 3.05Å; D81-Q88 HydrophobicContact CB-CG 4.21Å; D81-Q88 PolarHBondContact O-NE2 3.26Å; G84-Q88 WeakPolarHBondContact O-CG 3.5Å; G84-Q88 PolarHBondContact O-N 3.44Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 PolarHBondContact O-N 2.83Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; E86-Q88 PolarHBondContact O-N 3.31Å; Q88-R92 WeakPolarHBondContact O-CB 3.5Å; Q88-R92 PolarHBondContact O-N 2.78Å
89L87.8Confident87.5Confident35 Ų3553.7 Ų53.718%0.18329%0.293CS..Hα-helixtrans-66.8-41.8176.5-71.7168.3000111.6V63 R85 E86 R92 N93V63-L89 HydrophobicContact CG1-CD2 4.14Å; V63-L89 HydrophobicContact CG2-CD2 3.92Å; V63-L89 HydrophobicContact CG2-CG 4.17Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 HydrophobicContact CG-CG 4.47Å; R85-L89 WeakPolarHBondContact O-CG 3.28Å; R85-L89 PolarHBondContact O-N 3.4Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 PolarHBondContact O-N 3.36Å; L89-R92 PolarHBondContact O-N 2.65Å; L89-N93 VanDerWaalsContact O-CB 3.32Å; L89-N93 WeakPolarHBondContact O-CB 3.26Å; L89-N93 PolarHBondContact O-N 2.88Å; L89-N93 PolarHBondContact O-ND2 2.89Å
90E88.9Confident87.2Confident109 Ų10958.6 Ų58.651%0.50932%0.316SS..Hα-helixtrans-60.2-50.8175.3-168.7-168.6168.800111.2E86 K87 R92 N93 N94E86-E90 PolarHBondContact O-N 3.18Å; K87-E90 PolarHBondContact O-N 3.43Å; E90-R92 PolarHBondContact O-N 3.39Å; E90-N93 PolarHBondContact O-N 2.77Å; E90-N93 VanDerWaalsContact O-N 3.12Å; E90-N94 WeakPolarHBondContact O-CB 3.34Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.83Å; E90-N94 PolarHBondContact O-ND2 3.46Å
91M88.6Confident87.1Confident33 Ų3362.3 Ų62.316%0.16333%0.333CS..Hα-helixtrans-57.8-45.2177-75.7179.3173.100112.3V12 F79 D81 K87 N93 N94 V95V12-M91 HydrophobicContact CG1-CB 3.85Å; V12-M91 HydrophobicContact CG1-CG 3.93Å; V12-M91 HydrophobicContact CG1-SD 3.64Å; F79-M91 HydrophobicContact CD1-CB 4.11Å; D81-M91 HydrophobicContact CB-CE 4.13Å; D81-M91 HydrophobicContact CB-SD 3.76Å; K87-M91 HydrophobicContact CG-CE 4.17Å; K87-M91 WeakPolarHBondContact O-CB 3.32Å; K87-M91 VanDerWaalsContact O-CG 3.24Å; K87-M91 WeakPolarHBondContact O-CG 3.43Å; K87-M91 PolarHBondContact O-N 3.18Å; M91-N93 VanDerWaalsContact C-N 3.35Å; M91-N93 PolarHBondContact O-N 2.84Å; M91-N94 PolarHBondContact O-N 3.06Å; M91-V95 WeakPolarHBondContact O-CG2 3.05Å; M91-V95 PolarHBondContact O-N 2.94Å; M91-V95 VanDerWaalsContact O-N 3.1Å
92R89.9Confident86.9Confident2 Ų262.6 Ų62.61%0.00834%0.335CS..Hα-helixtrans-60.2-45.5175.3-178.7-153.661.9-167.6-7.9111I55 S56 D58 V63 F79 Q88 L89 E90 V95 K96I55-R92 HydrophobicContact CG2-CG 4.36Å; S56-R92 PolarHBondContact O-NH1 3.13Å; D58-R92 IonicContact OD1-CZ 3.52Å; D58-R92 VanDerWaalsContact OD1-CZ 3.23Å; D58-R92 IonicContact OD1-NH1 2.93Å; D58-R92 PolarHBondContact OD1-NH1 3.3Å; D58-R92 IonicContact OD1-NH2 2.9Å; D58-R92 PolarHBondContact OD1-NH2 3.14Å; V63-R92 HydrophobicContact CG1-CB 3.71Å; V63-R92 HydrophobicContact CG1-CG 4.06Å; F79-R92 HydrophobicContact CD2-CB 3.87Å; F79-R92 HydrophobicContact CD2-CG 4.16Å; F79-R92 HydrophobicContact CE2-CB 3.87Å; F79-R92 HydrophobicContact CE2-CG 3.87Å; F79-R92 HydrophobicContact CG-CB 4.34Å; F79-R92 HydrophobicContact CZ-CB 4.32Å; Q88-R92 WeakPolarHBondContact O-CB 3.5Å; Q88-R92 PolarHBondContact O-N 2.78Å; L89-R92 PolarHBondContact O-N 2.65Å; E90-R92 PolarHBondContact O-N 3.39Å; R92-V95 PolarHBondContact O-N 2.82Å; R92-K96 VanDerWaalsContact O-CB 3.32Å; R92-K96 WeakPolarHBondContact O-CB 3.39Å; R92-K96 PolarHBondContact O-N 3.29Å
93N89.7Confident86.8Confident63 Ų6358.9 Ų58.934%0.33731%0.309SS..Hα-helixtrans-67.1-38.4-177.7-73.9-13.1000112L89 E90 M91 K96 A97L89-N93 VanDerWaalsContact O-CB 3.32Å; L89-N93 WeakPolarHBondContact O-CB 3.26Å; L89-N93 PolarHBondContact O-N 2.88Å; L89-N93 PolarHBondContact O-ND2 2.89Å; E90-N93 PolarHBondContact O-N 2.77Å; E90-N93 VanDerWaalsContact O-N 3.12Å; M91-N93 VanDerWaalsContact C-N 3.35Å; M91-N93 PolarHBondContact O-N 2.84Å; N93-K96 PolarHBondContact O-N 2.8Å; N93-A97 WeakPolarHBondContact O-CB 3.18Å; N93-A97 PolarHBondContact O-N 2.89Å
94N90.3Very high86.9Confident77 Ų7759.7 Ų59.741%0.41231%0.306SS..Hα-helixtrans-63.1-46.5174.9-70.7-16.5000111.4L10 E90 M91 K96 A97 M98L10-N94 HydrophobicContact CD2-CB 4.29Å; E90-N94 WeakPolarHBondContact O-CB 3.34Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.83Å; E90-N94 PolarHBondContact O-ND2 3.46Å; M91-N94 PolarHBondContact O-N 3.06Å; N94-K96 PolarHBondContact O-N 3.46Å; N94-A97 PolarHBondContact O-N 3.17Å; N94-M98 WeakPolarHBondContact O-CB 3.38Å; N94-M98 PolarHBondContact O-N 3.48Å
95V89.2Confident86.4Confident0 Ų065 Ų650%032%0.318CS..Hα-helixtrans-61.6-45.8174.5177.50000110.7L10 V12 L24 V26 L65 F79 M91 R92 A97 M98 L99L10-V95 HydrophobicContact CD2-CB 4.28Å; L10-V95 HydrophobicContact CD2-CG2 3.57Å; V12-V95 HydrophobicContact CG2-CG2 3.53Å; L24-V95 HydrophobicContact CD2-CG1 4.06Å; L24-V95 HydrophobicContact CD2-CG2 4.31Å; V26-V95 HydrophobicContact CG2-CG1 4.21Å; L65-V95 HydrophobicContact CD2-CB 4.47Å; L65-V95 HydrophobicContact CD2-CG1 3.57Å; F79-V95 HydrophobicContact CE1-CG2 4.14Å; F79-V95 HydrophobicContact CZ-CB 4.47Å; F79-V95 HydrophobicContact CZ-CG2 4.28Å; M91-V95 WeakPolarHBondContact O-CG2 3.05Å; M91-V95 PolarHBondContact O-N 2.94Å; M91-V95 VanDerWaalsContact O-N 3.1Å; R92-V95 PolarHBondContact O-N 2.82Å; V95-A97 PolarHBondContact O-N 3.5Å; V95-M98 PolarHBondContact O-N 2.97Å; V95-L99 HydrophobicContact CG1-CD1 3.79Å; V95-L99 HydrophobicContact CG1-CG 4.23Å; V95-L99 WeakPolarHBondContact O-CB 3.21Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 3.49Å
96K90.3Very high85.7Confident61 Ų6161 Ų6127%0.26530%0.304SS..Hα-helixtrans-58.8-47.8179.1-179-148.4-177.6-179.20111.8Q53 I55 R92 N93 N94 L99 Q100Q53-K96 PolarHBondContact NE2-O 2.89Å; Q53-K96 VanDerWaalsContact NE2-O 3.14Å; I55-K96 HydrophobicContact CD1-CD 3.91Å; I55-K96 HydrophobicContact CG2-CB 4.31Å; I55-K96 HydrophobicContact CG2-CD 4.26Å; I55-K96 HydrophobicContact CG2-CG 4.04Å; R92-K96 VanDerWaalsContact O-CB 3.32Å; R92-K96 WeakPolarHBondContact O-CB 3.39Å; R92-K96 PolarHBondContact O-N 3.29Å; N93-K96 PolarHBondContact O-N 2.8Å; N94-K96 PolarHBondContact O-N 3.46Å; K96-L99 PolarHBondContact O-N 3.28Å; K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 WeakPolarHBondContact O-CG 3.36Å; K96-Q100 PolarHBondContact O-N 3.28Å
97A90.1Very high85Confident44 Ų4459.5 Ų59.536%0.36430%0.295SS..Hα-helixtrans-64.6-41.5-179.900000111.1N93 N94 V95 Q100 N101N93-A97 WeakPolarHBondContact O-CB 3.18Å; N93-A97 PolarHBondContact O-N 2.89Å; N94-A97 PolarHBondContact O-N 3.17Å; V95-A97 PolarHBondContact O-N 3.5Å; A97-Q100 PolarHBondContact O-N 3.42Å; A97-N101 PolarHBondContact O-N 2.83Å; A97-N101 VanDerWaalsContact O-N 3.08Å
98M85.8Confident84.2Confident56 Ų5660 Ų6028%0.27630%0.302SS..Hα-helixtrans-62.8-45.9176.8-162.265-162.400111.8L9 V26 N94 V95 Q100 N101 L102L9-M98 HydrophobicContact CB-CE 4.03Å; L9-M98 HydrophobicContact CD1-CE 3.64Å; L9-M98 HydrophobicContact CG-CE 4.31Å; V26-M98 HydrophobicContact CG1-CG 4.27Å; N94-M98 WeakPolarHBondContact O-CB 3.38Å; N94-M98 PolarHBondContact O-N 3.48Å; V95-M98 PolarHBondContact O-N 2.97Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 2.98Å; M98-N101 PolarHBondContact O-N 3.18Å; M98-L102 HydrophobicContact CE-CD1 3.85Å; M98-L102 HydrophobicContact CE-CD2 4.23Å; M98-L102 HydrophobicContact CE-CG 4.08Å; M98-L102 HydrophobicContact CG-CD1 3.98Å; M98-L102 WeakPolarHBondContact O-CG 3.33Å; M98-L102 PolarHBondContact O-N 3.3Å
99L86.6Confident83.3Confident1 Ų163.3 Ų63.31%0.00532%0.316CS..Hα-helixtrans-65.3-35.5175.8-67.8177.4000112.4V26 V31 F47 L65 L67 V95 K96 N101 L102 L103V26-L99 HydrophobicContact CG1-CD2 4.25Å; V31-L99 HydrophobicContact CG2-CD2 3.56Å; F47-L99 HydrophobicContact CD1-CD2 4.16Å; F47-L99 HydrophobicContact CE1-CD2 3.43Å; F47-L99 VanDerWaalsContact CE1-CD2 3.43Å; F47-L99 HydrophobicContact CZ-CD2 4.31Å; L65-L99 HydrophobicContact CD2-CD1 3.97Å; L67-L99 HydrophobicContact CD2-CD1 3.92Å; V95-L99 HydrophobicContact CG1-CD1 3.79Å; V95-L99 HydrophobicContact CG1-CG 4.23Å; V95-L99 WeakPolarHBondContact O-CB 3.21Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 3.49Å; K96-L99 PolarHBondContact O-N 3.28Å; L99-N101 VanDerWaalsContact C-N 3.28Å; L99-N101 PolarHBondContact O-N 2.79Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-L103 HydrophobicContact CB-CD1 4.27Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.17Å; L99-L103 WeakPolarHBondContact O-CD1 2.99Å; L99-L103 WeakPolarHBondContact O-CG 3.1Å; L99-L103 PolarHBondContact O-N 2.88Å
100Q86.1Confident82.3Confident105 Ų10563.9 Ų63.949%0.49133%0.325SS..Hα-helixtrans-63-33.1173.8-81.3179.4-39.200112.9K96 A97 M98 P104K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 WeakPolarHBondContact O-CG 3.36Å; K96-Q100 PolarHBondContact O-N 3.28Å; A97-Q100 PolarHBondContact O-N 3.42Å; M98-Q100 VanDerWaalsContact C-N 3.34Å; M98-Q100 PolarHBondContact O-N 2.98Å; Q100-P104 WeakPolarHBondContact O-CD 3.41Å; Q100-P104 VanDerWaalsContact O-CG 3.24Å; Q100-P104 WeakPolarHBondContact O-CG 3.24Å
101N85.6Confident81.5Confident109 Ų10963 Ų6358%0.58332%0.321SS*.Hα-helixtrans-80.6-31.1176.5-76.1-21.4000113.2A97 M98 L99A97-N101 PolarHBondContact O-N 2.83Å; A97-N101 VanDerWaalsContact O-N 3.08Å; M98-N101 PolarHBondContact O-N 3.18Å; L99-N101 VanDerWaalsContact C-N 3.28Å; L99-N101 PolarHBondContact O-N 2.79Å
102L82.7Confident80.7Confident17 Ų1764 Ų649%0.08934%0.335CS..Hα-helixtrans-86.7-42.8-177.1-66.9173.9000112.9L9 V26 F47 M98 L99 K105 F106L9-L102 HydrophobicContact CD1-CD1 3.75Å; L9-L102 HydrophobicContact CD1-CD2 4.26Å; V26-L102 HydrophobicContact CG1-CD1 4.1Å; F47-L102 HydrophobicContact CE1-CD1 4.42Å; F47-L102 HydrophobicContact CE2-CB 4.3Å; F47-L102 HydrophobicContact CE2-CD1 3.82Å; F47-L102 HydrophobicContact CZ-CB 4.36Å; F47-L102 HydrophobicContact CZ-CD1 3.6Å; M98-L102 HydrophobicContact CE-CD1 3.85Å; M98-L102 HydrophobicContact CE-CD2 4.23Å; M98-L102 HydrophobicContact CE-CG 4.08Å; M98-L102 HydrophobicContact CG-CD1 3.98Å; M98-L102 WeakPolarHBondContact O-CG 3.33Å; M98-L102 PolarHBondContact O-N 3.3Å; L99-L102 PolarHBondContact O-N 3.21Å; L102-K105 WeakPolarHBondContact O-CB 3.5Å; L102-K105 PolarHBondContact O-N 3.46Å; L102-K105 VanDerWaalsContact O-N 3.09Å; L102-F106 VanDerWaalsContact O-CD2 3.28Å; L102-F106 WeakPolarHBondContact O-CD2 3.23Å; L102-F106 PolarHBondContact O-N 2.89Å
103L80.4Confident79.9Confident30 Ų3068 Ų6816%0.15735%0.354CS..Hα-helixtrans-55.1-42.7-176-73.4168.2000113.9F47 I50 Q53 L99 K105 F106 K107F47-L103 HydrophobicContact CB-CD2 4.48Å; F47-L103 HydrophobicContact CD1-CD2 4.38Å; I50-L103 HydrophobicContact CB-CD2 3.69Å; I50-L103 HydrophobicContact CD1-CD2 4.19Å; I50-L103 HydrophobicContact CG1-CD2 4.42Å; I50-L103 HydrophobicContact CG2-CD1 4.43Å; I50-L103 HydrophobicContact CG2-CD2 3.88Å; Q53-L103 HydrophobicContact CG-CD1 4.48Å; L99-L103 HydrophobicContact CB-CD1 4.27Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.17Å; L99-L103 WeakPolarHBondContact O-CD1 2.99Å; L99-L103 WeakPolarHBondContact O-CG 3.1Å; L99-L103 PolarHBondContact O-N 2.88Å; L103-K105 PolarHBondContact O-N 2.83Å; L103-F106 PolarHBondContact O-N 3.34Å; L103-K107 WeakPolarHBondContact O-CB 3.28Å; L103-K107 PolarHBondContact O-N 3.43Å
104P80.4Confident79.3Confident65 Ų6570.8 Ų70.842%0.42237%0.368SS..Hα-helixtrans-60.7-42.1176.6-24.435.5000112.7Q100 F106 K107 D108Q100-P104 WeakPolarHBondContact O-CD 3.41Å; Q100-P104 VanDerWaalsContact O-CG 3.24Å; Q100-P104 WeakPolarHBondContact O-CG 3.24Å; P104-F106 VanDerWaalsContact C-N 3.3Å; P104-F106 PolarHBondContact O-N 3.04Å; P104-K107 WeakPolarHBondContact O-CB 3.3Å; P104-K107 PolarHBondContact O-N 2.87Å; P104-K107 VanDerWaalsContact O-N 3.12Å; P104-D108 PolarHBondContact O-N 3.05Å
105K75.7Confident78.7Confident146 Ų14674.3 Ų74.364%0.63538%0.38SS*.Hα-helixtrans-61.7-38.4-178.4-62.1-176.6178.8-175.60112.4L102 L103 K109L102-K105 WeakPolarHBondContact O-CB 3.5Å; L102-K105 PolarHBondContact O-N 3.46Å; L102-K105 VanDerWaalsContact O-N 3.09Å; L103-K105 PolarHBondContact O-N 2.83Å; K105-K109 PolarHBondContact O-N 3.27Å
106F71.1Confident77.9Confident39 Ų3976.4 Ų76.417%0.17139%0.389CS..Hα-helixtrans-78.7-29.7177.1-72.2-79000112.5S28 F47 E48 L102 L103 P104 K109 A110S28-F106 WeakPolarHBondContact O-CE2 3.35Å; S28-F106 WeakPolarHBondContact O-CZ 3.22Å; F47-F106 HydrophobicContact CB-CB 3.88Å; F47-F106 HydrophobicContact CB-CD1 4.4Å; F47-F106 HydrophobicContact CB-CD2 3.59Å; F47-F106 HydrophobicContact CB-CE2 4.31Å; F47-F106 HydrophobicContact CB-CG 3.68Å; F47-F106 AromaticContact CD2-CD2 3.48Å; F47-F106 HydrophobicContact CD2-CD2 3.48Å; F47-F106 VanDerWaalsContact CD2-CD2 3.48Å; F47-F106 AromaticContact CD2-CE2 3.32Å; F47-F106 HydrophobicContact CD2-CE2 3.32Å; F47-F106 HydrophobicContact CD2-CG 4.24Å; F47-F106 AromaticContact CD2-CZ 3.94Å; F47-F106 HydrophobicContact CD2-CZ 3.94Å; F47-F106 HydrophobicContact CE2-CD2 4.45Å; F47-F106 AromaticContact CE2-CE2 3.97Å; F47-F106 HydrophobicContact CE2-CE2 3.97Å; F47-F106 AromaticContact CG-CD2 3.86Å; F47-F106 HydrophobicContact CG-CD2 3.86Å; F47-F106 HydrophobicContact CG-CE2 4.18Å; F47-F106 HydrophobicContact CG-CG 4.41Å; E48-F106 HydrophobicContact CG-CB 4.46Å; E48-F106 HydrophobicContact CG-CD1 4.43Å; L102-F106 VanDerWaalsContact O-CD2 3.28Å; L102-F106 WeakPolarHBondContact O-CD2 3.23Å; L102-F106 PolarHBondContact O-N 2.89Å; L103-F106 PolarHBondContact O-N 3.34Å; P104-F106 VanDerWaalsContact C-N 3.3Å; P104-F106 PolarHBondContact O-N 3.04Å; F106-K109 PolarHBondContact O-N 3.47Å; F106-A110 PolarHBondContact O-N 3.22Å
107K71.2Confident77.4Confident133 Ų13376.6 Ų76.658%0.57839%0.39SS*.Hα-helixtrans-64-42.4172.3-169.7178.5179-175.60111.6L103 P104 K109 A110 Q111L103-K107 WeakPolarHBondContact O-CB 3.28Å; L103-K107 PolarHBondContact O-N 3.43Å; P104-K107 WeakPolarHBondContact O-CB 3.3Å; P104-K107 PolarHBondContact O-N 2.87Å; P104-K107 VanDerWaalsContact O-N 3.12Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.05Å; K107-A110 PolarHBondContact O-N 2.81Å; K107-Q111 WeakPolarHBondContact O-CB 3.23Å; K107-Q111 VanDerWaalsContact O-CG 3.32Å; K107-Q111 WeakPolarHBondContact O-CG 3.45Å; K107-Q111 PolarHBondContact O-N 3.45Å
108D69.1Low77Confident99 Ų9981 Ų8153%0.52940%0.401SS..Hα-helixtrans-63.5-39.3176.8-66.3-22.9000111.4P104 Q111 A112P104-D108 PolarHBondContact O-N 3.05Å; D108-Q111 PolarHBondContact O-N 2.86Å; D108-A112 WeakPolarHBondContact O-CB 3.18Å; D108-A112 PolarHBondContact O-N 3.04Å
109K70.1Confident76.9Confident106 Ų10683.4 Ų83.446%0.46141%0.407SS..Hα-helixtrans-65.1-46.9176-168.3-174.8174.3-156.80112.4K105 F106 K107 Q111 A112 E113K105-K109 PolarHBondContact O-N 3.27Å; F106-K109 PolarHBondContact O-N 3.47Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.05Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.37Å; K109-A112 WeakPolarHBondContact O-CB 3.36Å; K109-A112 PolarHBondContact O-N 3.01Å; K109-A112 VanDerWaalsContact O-N 3.15Å; K109-E113 WeakPolarHBondContact CE-OE1 3.44Å; K109-E113 IonicContact NZ-OE1 3.22Å; K109-E113 PolarHBondContact O-N 3.44Å
110A66.3Low76.6Confident46 Ų4684.1 Ų84.138%0.3841%0.411SS..Hα-helixtrans-62.2-36.4176.400000111.9F106 K107 L114F106-A110 PolarHBondContact O-N 3.22Å; K107-A110 PolarHBondContact O-N 2.81Å; A110-L114 WeakPolarHBondContact O-CB 3.4Å; A110-L114 PolarHBondContact O-N 2.88Å; A110-L114 VanDerWaalsContact O-N 3.1Å
111Q71.6Confident76.5Confident91 Ų9179.8 Ų79.843%0.42539%0.391SS..Hα-helixtrans-70.2-35.3173.5-73.4-175.6-15.800112.9K107 D108 K109 L114 K115K107-Q111 WeakPolarHBondContact O-CB 3.23Å; K107-Q111 VanDerWaalsContact O-CG 3.32Å; K107-Q111 WeakPolarHBondContact O-CG 3.45Å; K107-Q111 PolarHBondContact O-N 3.45Å; D108-Q111 PolarHBondContact O-N 2.86Å; K109-Q111 VanDerWaalsContact C-N 3.27Å; K109-Q111 PolarHBondContact O-N 3.37Å; Q111-L114 PolarHBondContact O-N 2.95Å; Q111-K115 WeakPolarHBondContact O-CB 3.34Å; Q111-K115 WeakPolarHBondContact O-CG 3.32Å; Q111-K115 PolarHBondContact O-N 3.43Å
112A73.1Confident76.4Confident53 Ų5381.6 Ų81.644%0.43840%0.396SS..Hα-helixtrans-64.8-46.2175.100000111.2D108 K109 L114 K115 E116D108-A112 WeakPolarHBondContact O-CB 3.18Å; D108-A112 PolarHBondContact O-N 3.04Å; K109-A112 WeakPolarHBondContact O-CB 3.36Å; K109-A112 PolarHBondContact O-N 3.01Å; K109-A112 VanDerWaalsContact O-N 3.15Å; A112-L114 VanDerWaalsContact C-N 3.29Å; A112-L114 PolarHBondContact O-N 2.79Å; A112-K115 PolarHBondContact O-N 3.33Å; A112-E116 WeakPolarHBondContact O-CB 3.35Å; A112-E116 PolarHBondContact O-N 3.2Å
113E72.9Confident76.5Confident88 Ų8884.2 Ų84.241%0.41142%0.416SS..Hα-helixtrans-61.6-37.8175.2-70.2179.6-166.300111.9K109 E116 K117K109-E113 WeakPolarHBondContact CE-OE1 3.44Å; K109-E113 IonicContact NZ-OE1 3.22Å; K109-E113 PolarHBondContact O-N 3.44Å; E113-E116 PolarHBondContact O-N 3Å; E113-K117 WeakPolarHBondContact O-CB 3.32Å; E113-K117 VanDerWaalsContact O-CG 3.28Å; E113-K117 WeakPolarHBondContact O-CG 3.31Å; E113-K117 PolarHBondContact O-N 3.24Å
114L75.9Confident76.5Confident120 Ų12085 Ų8563%0.62842%0.42SS*.Hα-helixtrans-68.9-39.9176-173.763.7000112.4A110 Q111 A112 E116 K117 F118A110-L114 WeakPolarHBondContact O-CB 3.4Å; A110-L114 PolarHBondContact O-N 2.88Å; A110-L114 VanDerWaalsContact O-N 3.1Å; Q111-L114 PolarHBondContact O-N 2.95Å; A112-L114 VanDerWaalsContact C-N 3.29Å; A112-L114 PolarHBondContact O-N 2.79Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-K117 PolarHBondContact O-N 3.18Å; L114-F118 WeakPolarHBondContact O-CB 3.15Å; L114-F118 PolarHBondContact O-N 2.87Å
115K78.3Confident76.7Confident152 Ų15286.7 Ų86.766%0.66143%0.431SS*.Hα-helixtrans-63.6-39.4174.7-78.6178179.3-177.70111.5Q111 A112 F118 R119Q111-K115 WeakPolarHBondContact O-CB 3.34Å; Q111-K115 WeakPolarHBondContact O-CG 3.32Å; Q111-K115 PolarHBondContact O-N 3.43Å; A112-K115 PolarHBondContact O-N 3.33Å; K115-F118 WeakPolarHBondContact O-CB 3.48Å; K115-F118 PolarHBondContact O-N 3.03Å; K115-R119 WeakPolarHBondContact O-CB 3.43Å; K115-R119 PolarHBondContact O-N 3.33Å
116E72.3Confident76.9Confident44 Ų4485.2 Ų85.221%0.20643%0.427CS..Hα-helixtrans-67.3-44.4178.1-171.255.6-152.300111.7A112 E113 L114 F118 R119 L120A112-E116 WeakPolarHBondContact O-CB 3.35Å; A112-E116 PolarHBondContact O-N 3.2Å; E113-E116 PolarHBondContact O-N 3Å; L114-E116 VanDerWaalsContact C-N 3.32Å; E116-F118 VanDerWaalsContact C-N 3.27Å; E116-F118 PolarHBondContact O-N 3.48Å; E116-R119 VanDerWaalsContact CD-NE 3.33Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.39Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE1-CZ 2.69Å; E116-R119 IonicContact OE1-NE 3.8Å; E116-R119 PolarHBondContact OE1-NE 3.22Å; E116-R119 IonicContact OE1-NH2 3.13Å; E116-R119 PolarHBondContact OE1-NH2 3.15Å; E116-R119 IonicContact OE2-CZ 2.99Å; E116-R119 IonicContact OE2-NE 3.1Å; E116-R119 PolarHBondContact OE2-NE 2.97Å; E116-R119 IonicContact OE2-NH2 4Å; E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 3.12Å
117K81.3Confident77.5Confident65 Ų6583.8 Ų83.828%0.28342%0.421SS..Hα-helixtrans-55.4-43.2170.2-75170.6177.8174.90111.7E113 L114 L120 L121 W146E113-K117 WeakPolarHBondContact O-CB 3.32Å; E113-K117 VanDerWaalsContact O-CG 3.28Å; E113-K117 WeakPolarHBondContact O-CG 3.31Å; E113-K117 PolarHBondContact O-N 3.24Å; L114-K117 PolarHBondContact O-N 3.18Å; K117-L120 PolarHBondContact O-N 2.86Å; K117-L121 WeakPolarHBondContact O-CG 3.23Å; K117-L121 PolarHBondContact O-N 3.16Å; K117-L121 VanDerWaalsContact O-N 3.16Å; K117-W146 HydrophobicContact CB-CD2 4.4Å; K117-W146 HydrophobicContact CB-CH2 3.81Å; K117-W146 HydrophobicContact CB-CZ2 3.56Å; K117-W146 HydrophobicContact CB-CZ3 4.33Å; K117-W146 HydrophobicContact CD-CD2 3.82Å; K117-W146 HydrophobicContact CD-CE3 4.46Å; K117-W146 HydrophobicContact CD-CG 3.86Å; K117-W146 HydrophobicContact CD-CZ2 4.35Å; K117-W146 HydrophobicContact CG-CD2 3.73Å; K117-W146 HydrophobicContact CG-CE3 3.92Å; K117-W146 HydrophobicContact CG-CG 4.29Å; K117-W146 HydrophobicContact CG-CH2 4.02Å; K117-W146 HydrophobicContact CG-CZ2 3.84Å; K117-W146 HydrophobicContact CG-CZ3 4.06Å; K117-W146 WeakPolarHBondContact O-CH2 3.46Å
118F81.7Confident78.1Confident137 Ų13780.2 Ų80.260%0.60141%0.407SS*.Hα-helixtrans-66-43.3176.4-166.2-90.9000112.2L114 K115 E116 L120 L121 E122L114-F118 WeakPolarHBondContact O-CB 3.15Å; L114-F118 PolarHBondContact O-N 2.87Å; K115-F118 WeakPolarHBondContact O-CB 3.48Å; K115-F118 PolarHBondContact O-N 3.03Å; E116-F118 VanDerWaalsContact C-N 3.27Å; E116-F118 PolarHBondContact O-N 3.48Å; F118-L120 VanDerWaalsContact C-N 3.26Å; F118-L120 PolarHBondContact O-N 3.4Å; F118-L121 PolarHBondContact O-N 3.13Å; F118-L121 VanDerWaalsContact O-N 3.17Å; F118-E122 WeakPolarHBondContact O-CB 3.41Å; F118-E122 PolarHBondContact O-N 3.13Å
119R82.6Confident78.7Confident106 Ų10676.8 Ų76.840%0.439%0.393SS..Hα-helixtrans-57.6-38.1175.3-171.6-17879.9103.3-3.5111.9K115 E116 E122 S123K115-R119 WeakPolarHBondContact O-CB 3.43Å; K115-R119 PolarHBondContact O-N 3.33Å; E116-R119 VanDerWaalsContact CD-NE 3.33Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.39Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE1-CZ 2.69Å; E116-R119 IonicContact OE1-NE 3.8Å; E116-R119 PolarHBondContact OE1-NE 3.22Å; E116-R119 IonicContact OE1-NH2 3.13Å; E116-R119 PolarHBondContact OE1-NH2 3.15Å; E116-R119 IonicContact OE2-CZ 2.99Å; E116-R119 IonicContact OE2-NE 3.1Å; E116-R119 PolarHBondContact OE2-NE 2.97Å; E116-R119 IonicContact OE2-NH2 4Å; R119-E122 PolarHBondContact O-N 2.85Å; R119-S123 WeakPolarHBondContact O-CB 3.46Å; R119-S123 PolarHBondContact O-N 3.15Å; R119-S123 PolarHBondContact O-OG 3.14Å
120L80.7Confident79.3Confident15 Ų1573.1 Ų73.18%0.07938%0.378CS..Hα-helixtrans-69.6-39177.2-73.6162.7000113.4E116 K117 F118 E122 S123 N124 W146 L207E116-L120 WeakPolarHBondContact O-CG 3.37Å; E116-L120 PolarHBondContact O-N 3.12Å; K117-L120 PolarHBondContact O-N 2.86Å; F118-L120 VanDerWaalsContact C-N 3.26Å; F118-L120 PolarHBondContact O-N 3.4Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-S123 PolarHBondContact O-OG 2.8Å; L120-N124 PolarHBondContact O-N 2.76Å; L120-N124 PolarHBondContact O-ND2 2.89Å; L120-W146 HydrophobicContact CB-CH2 4.49Å; L120-W146 HydrophobicContact CD1-CZ3 4.27Å; L120-L207 HydrophobicContact CD1-CD2 3.62Å; L120-L207 HydrophobicContact CD2-CD2 3.28Å; L120-L207 HydrophobicContact CD2-CG 4.03Å; L120-L207 HydrophobicContact CG-CD2 3.91Å
121L83.9Confident80.2Confident15 Ų1573.4 Ų73.48%0.07937%0.37CS..Hα-helixtrans-68.9-36174.5-64.2179.2000111.2K117 F118 I127 L128 Y131 W146K117-L121 WeakPolarHBondContact O-CG 3.23Å; K117-L121 PolarHBondContact O-N 3.16Å; K117-L121 VanDerWaalsContact O-N 3.16Å; F118-L121 PolarHBondContact O-N 3.13Å; F118-L121 VanDerWaalsContact O-N 3.17Å; L121-I127 HydrophobicContact CD2-CG2 3.8Å; L121-L128 HydrophobicContact CB-CB 4.4Å; L121-L128 HydrophobicContact CB-CD1 3.88Å; L121-L128 HydrophobicContact CD1-CD1 4.29Å; L121-L128 HydrophobicContact CG-CD1 4.49Å; L121-L128 WeakPolarHBondContact O-CB 3.35Å; L121-Y131 HydrophobicContact CD1-CD1 3.88Å; L121-Y131 HydrophobicContact CD1-CD2 4.45Å; L121-Y131 HydrophobicContact CD1-CE1 4.17Å; L121-Y131 HydrophobicContact CD1-CG 4.04Å; L121-Y131 HydrophobicContact CD2-CD2 4.42Å; L121-Y131 HydrophobicContact CD2-CG 4.04Å; L121-W146 HydrophobicContact CD1-CH2 4.32Å; L121-W146 HydrophobicContact CD1-CZ2 3.95Å; L121-W146 HydrophobicContact CD2-CH2 3.79Å; L121-W146 HydrophobicContact CD2-CZ2 4.07Å; L121-W146 HydrophobicContact CG-CH2 3.8Å; L121-W146 HydrophobicContact CG-CZ2 3.95Å
122E84Confident80.8Confident146 Ų14674.8 Ų74.868%0.68237%0.374SS*.Hα-helixtrans-72.9-39.1178.3-170.3169.4-159.800112.4F118 R119 L120F118-E122 WeakPolarHBondContact O-CB 3.41Å; F118-E122 PolarHBondContact O-N 3.13Å; R119-E122 PolarHBondContact O-N 2.85Å; L120-E122 VanDerWaalsContact C-N 3.34Å
123S83.8Confident80.9Confident72 Ų7274.6 Ų74.650%0.50336%0.364SS..Hα-helixtrans-71.7-26.7178.260.70000113.6R119 L120R119-S123 WeakPolarHBondContact O-CB 3.46Å; R119-S123 PolarHBondContact O-N 3.15Å; R119-S123 PolarHBondContact O-OG 3.14Å; L120-S123 PolarHBondContact O-OG 2.8Å
124N81.9Confident81.2Confident48 Ų4870.4 Ų70.426%0.25735%0.345SS..  trans-123.197-176.5-63.8-75.9000112.1L120 E126 I127 L128L120-N124 PolarHBondContact O-N 2.76Å; L120-N124 PolarHBondContact O-ND2 2.89Å; N124-E126 VanDerWaalsContact C-N 3.27Å; N124-E126 PolarHBondContact O-N 3.41Å; N124-I127 HydrophobicContact CB-CB 3.99Å; N124-I127 HydrophobicContact CB-CD1 3.66Å; N124-I127 HydrophobicContact CB-CG1 3.75Å; N124-I127 PolarHBondContact O-N 3.25Å; N124-I127 VanDerWaalsContact O-N 3.1Å; N124-L128 PolarHBondContact O-N 3.16Å; N124-L128 VanDerWaalsContact O-N 3.09Å
125P83.7Confident81.6Confident99 Ų9965.9 Ų65.964%0.64332%0.322SS*.Hα-helixtrans-63.2-30.6-177.724.1-33.6000113.4L128 A129P125-L128 PolarHBondContact O-N 3.3Å; P125-A129 WeakPolarHBondContact O-CB 3.49Å; P125-A129 PolarHBondContact O-N 2.53Å
126E79.1Confident81.6Confident116 Ų11664 Ų6454%0.54232%0.323SS..Hα-helixtrans-64.9-39.9175.1-66.1-17417900112.1N124 A129 L130 R203N124-E126 VanDerWaalsContact C-N 3.27Å; N124-E126 PolarHBondContact O-N 3.41Å; E126-A129 PolarHBondContact O-N 3.18Å; E126-L130 WeakPolarHBondContact O-CB 3.48Å; E126-L130 PolarHBondContact O-N 3.01Å; E126-R203 IonicContact OE1-NH1 2.64Å; E126-R203 PolarHBondContact OE1-NH1 2.89Å; E126-R203 IonicContact OE2-CZ 3.72Å; E126-R203 IonicContact OE2-NH1 2.91Å; E126-R203 PolarHBondContact OE2-NH1 3.38Å
127I83.6Confident81.4Confident9 Ų964.8 Ų64.85%0.04633%0.333CS..Hα-helixtrans-71.4-39178.4-58.4-179.4000110.1L121 N124 A129 L130 Y131 F145 F151 F205L121-I127 HydrophobicContact CD2-CG2 3.8Å; N124-I127 HydrophobicContact CB-CB 3.99Å; N124-I127 HydrophobicContact CB-CD1 3.66Å; N124-I127 HydrophobicContact CB-CG1 3.75Å; N124-I127 PolarHBondContact O-N 3.25Å; N124-I127 VanDerWaalsContact O-N 3.1Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.4Å; I127-L130 PolarHBondContact O-N 2.89Å; I127-Y131 WeakPolarHBondContact O-CB 3.38Å; I127-Y131 PolarHBondContact O-N 3.36Å; I127-F145 HydrophobicContact CG2-CE1 4.27Å; I127-F145 HydrophobicContact CG2-CZ 3.82Å; I127-F151 HydrophobicContact CD1-CE1 4.06Å; I127-F151 HydrophobicContact CD1-CZ 4.18Å; I127-F151 HydrophobicContact CG2-CE1 4.28Å; I127-F151 HydrophobicContact CG2-CZ 3.71Å; I127-F205 HydrophobicContact CD1-CD1 3.92Å; I127-F205 HydrophobicContact CD1-CD2 4.29Å; I127-F205 HydrophobicContact CD1-CE1 3.73Å; I127-F205 HydrophobicContact CD1-CE2 4.11Å; I127-F205 HydrophobicContact CD1-CG 4.19Å; I127-F205 HydrophobicContact CD1-CZ 3.83Å; I127-F205 HydrophobicContact CG1-CE1 4.24Å; I127-F205 HydrophobicContact CG1-CZ 4.13Å
128L84.5Confident80.9Confident57 Ų5764.4 Ų64.430%0.29835%0.348SS..Hα-helixtrans-61.1-42.5173.6-17969.5000111.8L121 N124 P125 Y131 K132L121-L128 HydrophobicContact CB-CB 4.4Å; L121-L128 HydrophobicContact CB-CD1 3.88Å; L121-L128 HydrophobicContact CD1-CD1 4.29Å; L121-L128 HydrophobicContact CG-CD1 4.49Å; L121-L128 WeakPolarHBondContact O-CB 3.35Å; N124-L128 PolarHBondContact O-N 3.16Å; N124-L128 VanDerWaalsContact O-N 3.09Å; P125-L128 PolarHBondContact O-N 3.3Å; L128-Y131 PolarHBondContact O-N 2.81Å; L128-K132 HydrophobicContact CG-CD 4.41Å; L128-K132 WeakPolarHBondContact O-CB 3.15Å; L128-K132 WeakPolarHBondContact O-CG 3.24Å; L128-K132 PolarHBondContact O-N 2.92Å
129A82.5Confident80.2Confident28 Ų2858.8 Ų58.823%0.23132%0.324CS..Hα-helixtrans-60.3-47.2174.500000110.7P125 E126 I127 Y131 K132 E133 L583P125-A129 WeakPolarHBondContact O-CB 3.49Å; P125-A129 PolarHBondContact O-N 2.53Å; E126-A129 PolarHBondContact O-N 3.18Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.4Å; A129-Y131 PolarHBondContact O-N 2.88Å; A129-K132 PolarHBondContact O-N 2.84Å; A129-E133 WeakPolarHBondContact O-CB 3.37Å; A129-E133 VanDerWaalsContact O-CG 3.3Å; A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.95Å; A129-L583 HydrophobicContact CB-CD1 3.84Å; A129-L583 HydrophobicContact CB-CD2 4.42Å
130L82.1Confident79.7Confident28 Ų2854.1 Ų54.115%0.14731%0.307CS..Hα-helixtrans-63-39.7176.9-170.162.9000112.9E126 I127 E133 L134 F145 R148 E590E126-L130 WeakPolarHBondContact O-CB 3.48Å; E126-L130 PolarHBondContact O-N 3.01Å; I127-L130 PolarHBondContact O-N 2.89Å; L130-E133 PolarHBondContact O-N 3.08Å; L130-L134 HydrophobicContact CD1-CD1 3.57Å; L130-L134 HydrophobicContact CD1-CG 4Å; L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 HydrophobicContact CG-CD1 3.74Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.5Å; L130-F145 HydrophobicContact CG-CE2 4.3Å; L130-R148 VanDerWaalsContact CD2-NH1 3.3Å; L130-E590 HydrophobicContact CD1-CB 4.28Å; L130-E590 HydrophobicContact CD2-CG 4.4Å
131Y85.4Confident79.6Confident52 Ų5255.6 Ų55.620%0.20432%0.319CS..Hα-helixtrans-64.5-44.8176.8-177.9-97.2000111.2L121 I127 L128 A129 V135 F145 W146L121-Y131 HydrophobicContact CD1-CD1 3.88Å; L121-Y131 HydrophobicContact CD1-CD2 4.45Å; L121-Y131 HydrophobicContact CD1-CE1 4.17Å; L121-Y131 HydrophobicContact CD1-CG 4.04Å; L121-Y131 HydrophobicContact CD2-CD2 4.42Å; L121-Y131 HydrophobicContact CD2-CG 4.04Å; I127-Y131 WeakPolarHBondContact O-CB 3.38Å; I127-Y131 PolarHBondContact O-N 3.36Å; L128-Y131 PolarHBondContact O-N 2.81Å; A129-Y131 PolarHBondContact O-N 2.88Å; Y131-V135 HydrophobicContact CD2-CB 4.08Å; Y131-V135 HydrophobicContact CD2-CG2 3.59Å; Y131-V135 HydrophobicContact CE1-CB 4.34Å; Y131-V135 HydrophobicContact CE1-CG1 4.45Å; Y131-V135 HydrophobicContact CE2-CB 3.86Å; Y131-V135 HydrophobicContact CE2-CG1 3.98Å; Y131-V135 HydrophobicContact CE2-CG2 3.54Å; Y131-V135 HydrophobicContact CG-CB 4.44Å; Y131-V135 HydrophobicContact CG-CG2 4.3Å; Y131-V135 WeakPolarHBondContact O-CA 3.33Å; Y131-V135 VanDerWaalsContact O-CB 3.28Å; Y131-V135 WeakPolarHBondContact O-CB 3.41Å; Y131-V135 PolarHBondContact O-N 3.42Å; Y131-F145 AromaticContact CD2-CD1 3.48Å; Y131-F145 HydrophobicContact CD2-CD1 3.48Å; Y131-F145 VanDerWaalsContact CD2-CD1 3.48Å; Y131-F145 HydrophobicContact CD2-CD2 4.07Å; Y131-F145 AromaticContact CD2-CE1 3.52Å; Y131-F145 HydrophobicContact CD2-CE1 3.52Å; Y131-F145 HydrophobicContact CD2-CE2 4.09Å; Y131-F145 AromaticContact CD2-CG 3.76Å; Y131-F145 HydrophobicContact CD2-CG 3.76Å; Y131-F145 AromaticContact CD2-CZ 3.83Å; Y131-F145 HydrophobicContact CD2-CZ 3.83Å; Y131-F145 AromaticContact CE2-CD1 3.98Å; Y131-F145 HydrophobicContact CE2-CD1 3.98Å; Y131-F145 HydrophobicContact CE2-CE1 4.38Å; Y131-F145 HydrophobicContact CE2-CG 4.25Å; Y131-F145 HydrophobicContact CG-CE1 4.32Å; Y131-F145 HydrophobicContact CG-CZ 4.29Å; Y131-W146 HydrophobicContact CD2-CZ2 4.37Å; Y131-W146 HydrophobicContact CE2-CZ2 4.24Å; Y131-W146 AromaticContact CE2-NE1 3.76Å
132K83.2Confident79.4Confident120 Ų12057.9 Ų57.952%0.52234%0.336SS..Iπ-helixtrans-61-46.5173.9-73.6177.2178.7179.30110.8L128 A129 L134 V136L128-K132 HydrophobicContact CG-CD 4.41Å; L128-K132 WeakPolarHBondContact O-CB 3.15Å; L128-K132 WeakPolarHBondContact O-CG 3.24Å; L128-K132 PolarHBondContact O-N 2.92Å; A129-K132 PolarHBondContact O-N 2.84Å; K132-L134 PolarHBondContact O-N 3.44Å; K132-V136 VanDerWaalsContact O-CB 3.22Å; K132-V136 WeakPolarHBondContact O-CB 3.4Å; K132-V136 PolarHBondContact O-N 2.87Å
133E76.5Confident79.1Confident49 Ų4958.5 Ų58.523%0.22934%0.339CS..Iπ-helixtrans-69.8-28.4-177.1-72.2-63.4151.800114A129 L130 S137 K624A129-E133 WeakPolarHBondContact O-CB 3.37Å; A129-E133 VanDerWaalsContact O-CG 3.3Å; A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.95Å; L130-E133 PolarHBondContact O-N 3.08Å; E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-OG 3.31Å; E133-K624 IonicContact OE1-NZ 3.29Å; E133-K624 PolarHBondContact OE1-NZ 3.46Å; E133-K624 WeakPolarHBondContact OE2-CE 3.36Å; E133-K624 IonicContact OE2-NZ 3.46Å; E133-K624 PolarHBondContact OE2-NZ 3.32Å
134L78.9Confident78.6Confident1 Ų156.7 Ų56.71%0.00532%0.322CS..Iπ-helixtrans-102.1-41-177.9-64.1177.6000114L130 K132 S137 I139 L140 E590 L591L130-L134 HydrophobicContact CD1-CD1 3.57Å; L130-L134 HydrophobicContact CD1-CG 4Å; L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 HydrophobicContact CG-CD1 3.74Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.5Å; K132-L134 PolarHBondContact O-N 3.44Å; L134-S137 PolarHBondContact O-OG 2.9Å; L134-I139 HydrophobicContact CD2-CG2 4.01Å; L134-I139 WeakPolarHBondContact O-CB 3.32Å; L134-I139 PolarHBondContact O-N 3.38Å; L134-I139 VanDerWaalsContact O-N 3.08Å; L134-L140 HydrophobicContact CB-CB 4.26Å; L134-L140 PolarHBondContact O-N 3.33Å; L134-E590 HydrophobicContact CD1-CB 4.11Å; L134-E590 HydrophobicContact CD1-CG 3.53Å; L134-L591 HydrophobicContact CD2-CD2 4.46Å; L134-L591 HydrophobicContact CD2-CG 4.02Å
135V82.9Confident78.6Confident25 Ų2554.4 Ų54.415%0.15231%0.31CS..Iπ-helixtrans-89.4-42.4-174.4-177.20000111.2Y131 S137 G138 F145Y131-V135 HydrophobicContact CD2-CB 4.08Å; Y131-V135 HydrophobicContact CD2-CG2 3.59Å; Y131-V135 HydrophobicContact CE1-CB 4.34Å; Y131-V135 HydrophobicContact CE1-CG1 4.45Å; Y131-V135 HydrophobicContact CE2-CB 3.86Å; Y131-V135 HydrophobicContact CE2-CG1 3.98Å; Y131-V135 HydrophobicContact CE2-CG2 3.54Å; Y131-V135 HydrophobicContact CG-CB 4.44Å; Y131-V135 HydrophobicContact CG-CG2 4.3Å; Y131-V135 WeakPolarHBondContact O-CA 3.33Å; Y131-V135 VanDerWaalsContact O-CB 3.28Å; Y131-V135 WeakPolarHBondContact O-CB 3.41Å; Y131-V135 PolarHBondContact O-N 3.42Å; V135-S137 VanDerWaalsContact C-N 3.35Å; V135-G138 PolarHBondContact O-N 3.09Å; V135-G138 VanDerWaalsContact O-N 3.16Å; V135-F145 HydrophobicContact CG2-CB 3.63Å; V135-F145 HydrophobicContact CG2-CD2 3.92Å; V135-F145 HydrophobicContact CG2-CG 3.87Å
136V79Confident78.4Confident113 Ų11351 Ų5169%0.68528%0.284SS*.Iπ-helixtrans-72.5-32.1179.4-176.50000111.2K132 G138K132-V136 VanDerWaalsContact O-CB 3.22Å; K132-V136 WeakPolarHBondContact O-CB 3.4Å; K132-V136 PolarHBondContact O-N 2.87Å; V136-G138 PolarHBondContact O-N 3.28Å
137S68.9Low78.1Confident59 Ų5948.6 Ų48.641%0.41329%0.285SS..THydrogen-bonded Turntrans-69.5-8.9172.264.70000113.9E133 L134 V135 I139E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-OG 3.31Å; L134-S137 PolarHBondContact O-OG 2.9Å; V135-S137 VanDerWaalsContact C-N 3.35Å; S137-I139 VanDerWaalsContact C-N 3.26Å; S137-I139 PolarHBondContact O-N 3.07Å; S137-I139 VanDerWaalsContact OG-CD1 3.28Å; S137-I139 WeakPolarHBondContact OG-CD1 3.29Å; S137-I139 VanDerWaalsContact OG-CG1 3.23Å; S137-I139 WeakPolarHBondContact OG-CG1 3.23Å
138G70.6Confident77.4Confident57 Ų5748.4 Ų48.459%0.58828%0.283SS*.THydrogen-bonded Turntrans74.113.8-17900000114.4V135 V136V135-G138 PolarHBondContact O-N 3.09Å; V135-G138 VanDerWaalsContact O-N 3.16Å; V136-G138 PolarHBondContact O-N 3.28Å
139I66.6Low76.3Confident20 Ų2050.4 Ų50.410%0.10330%0.3CS..SBendtrans-71.2-41.2178.1-70.9174.7000110.9L134 S137 L591L134-I139 HydrophobicContact CD2-CG2 4.01Å; L134-I139 WeakPolarHBondContact O-CB 3.32Å; L134-I139 PolarHBondContact O-N 3.38Å; L134-I139 VanDerWaalsContact O-N 3.08Å; S137-I139 VanDerWaalsContact C-N 3.26Å; S137-I139 PolarHBondContact O-N 3.07Å; S137-I139 VanDerWaalsContact OG-CD1 3.28Å; S137-I139 WeakPolarHBondContact OG-CD1 3.29Å; S137-I139 VanDerWaalsContact OG-CG1 3.23Å; S137-I139 WeakPolarHBondContact OG-CG1 3.23Å; I139-L591 HydrophobicContact CD1-CD1 4.29Å; I139-L591 HydrophobicContact CD1-CD2 4.5Å; I139-L591 HydrophobicContact CG2-CD2 3.16Å; I139-L591 HydrophobicContact CG2-CG 4.15Å
140L72.5Confident75.5Confident7 Ų752.5 Ų52.54%0.03731%0.305CS..SBendtrans-127.5138.6-177.7-163.666.2000109.7L134 E144 F145 H594L134-L140 HydrophobicContact CB-CB 4.26Å; L134-L140 PolarHBondContact O-N 3.33Å; L140-E144 HydrophobicContact CD1-CB 3.44Å; L140-E144 VanDerWaalsContact CD1-CB 3.44Å; L140-E144 HydrophobicContact CD1-CG 4.3Å; L140-E144 HydrophobicContact CD2-CB 4.35Å; L140-E144 HydrophobicContact CG-CB 3.67Å; L140-F145 VanDerWaalsContact CD2-CA 3.48Å; L140-F145 HydrophobicContact CD2-CB 3.78Å; L140-F145 HydrophobicContact CD2-CD2 4.22Å; L140-F145 HydrophobicContact CD2-CG 4.5Å; L140-F145 HydrophobicContact CG-CB 4.47Å; L140-H594 VanDerWaalsContact CD2-NE2 3.33Å; L140-H594 WeakPolarHBondContact CD2-NE2 3.46Å
141S77.9Confident74.7Confident47 Ų4751.9 Ų51.933%0.32930%0.301SS..  trans-66.7152.417063.60000110.3E143 E144 F145S141-E143 PolarHBondContact O-N 2.93Å; S141-E144 WeakPolarHBondContact CB-OE2 3.33Å; S141-E144 PolarHBondContact N-OE2 2.85Å; S141-E144 VanDerWaalsContact N-OE2 3.13Å; S141-E144 PolarHBondContact O-N 3.02Å; S141-E144 VanDerWaalsContact O-N 3.15Å; S141-E144 VanDerWaalsContact OG-CB 3.31Å; S141-E144 WeakPolarHBondContact OG-CB 3.4Å; S141-E144 VanDerWaalsContact OG-CD 3.25Å; S141-E144 WeakPolarHBondContact OG-CG 3.28Å; S141-E144 PolarHBondContact OG-N 3.13Å; S141-E144 VanDerWaalsContact OG-N 3.13Å; S141-E144 PolarHBondContact OG-OE2 2.77Å; S141-F145 PolarHBondContact O-N 3.3Å
142S79.7Confident73.1Confident62 Ų6251.9 Ų51.943%0.43431%0.308SS..Hα-helixtrans-56.4-36.5174.8550000111.5F145 W146S142-F145 PolarHBondContact O-N 3.13Å; S142-W146 PolarHBondContact O-N 3.32Å; S142-W146 VanDerWaalsContact O-N 3.16Å
143E77.4Confident71.6Confident159 Ų15951.6 Ų51.674%0.74331%0.309SS*.Hα-helixtrans-66.1-44.1177.5-170.2172-172.800112S141 F145 W146 A147S141-E143 PolarHBondContact O-N 2.93Å; E143-F145 VanDerWaalsContact C-N 3.32Å; E143-F145 PolarHBondContact O-N 3.16Å; E143-W146 PolarHBondContact O-N 3.25Å; E143-A147 VanDerWaalsContact O-CB 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3.45Å; E143-A147 PolarHBondContact O-N 3.41Å
144E74.9Confident69.9Low35 Ų3555.5 Ų55.516%0.16433%0.331CS..Hα-helixtrans-66.6-32.1176.9-73.2164.6141.400112.7L140 S141 R612L140-E144 HydrophobicContact CD1-CB 3.44Å; L140-E144 VanDerWaalsContact CD1-CB 3.44Å; L140-E144 HydrophobicContact CD1-CG 4.3Å; L140-E144 HydrophobicContact CD2-CB 4.35Å; L140-E144 HydrophobicContact CG-CB 3.67Å; S141-E144 WeakPolarHBondContact CB-OE2 3.33Å; S141-E144 PolarHBondContact N-OE2 2.85Å; S141-E144 VanDerWaalsContact N-OE2 3.13Å; S141-E144 PolarHBondContact O-N 3.02Å; S141-E144 VanDerWaalsContact O-N 3.15Å; S141-E144 VanDerWaalsContact OG-CB 3.31Å; S141-E144 WeakPolarHBondContact OG-CB 3.4Å; S141-E144 VanDerWaalsContact OG-CD 3.25Å; S141-E144 WeakPolarHBondContact OG-CG 3.28Å; S141-E144 PolarHBondContact OG-N 3.13Å; S141-E144 VanDerWaalsContact OG-N 3.13Å; S141-E144 PolarHBondContact OG-OE2 2.77Å; E144-R612 IonicContact OE1-CZ 2.94Å; E144-R612 IonicContact OE1-NH1 2.65Å; E144-R612 PolarHBondContact OE1-NH1 3.36Å; E144-R612 IonicContact OE1-NH2 3.63Å; E144-R612 PolarHBondContact OE1-NH2 3.21Å; E144-R612 IonicContact OE2-NH1 3.57Å; E144-R612 PolarHBondContact OE2-NH1 3.27Å
145F81.2Confident67.9Low0 Ų062.3 Ų62.30%037%0.368CS..Hα-helixtrans-63.7-45.9173.1-177.8-87.1000111.6I127 L130 Y131 V135 L140 S141 S142 E143 R148 F151I127-F145 HydrophobicContact CG2-CE1 4.27Å; I127-F145 HydrophobicContact CG2-CZ 3.82Å; L130-F145 HydrophobicContact CG-CE2 4.3Å; Y131-F145 AromaticContact CD2-CD1 3.48Å; Y131-F145 HydrophobicContact CD2-CD1 3.48Å; Y131-F145 VanDerWaalsContact CD2-CD1 3.48Å; Y131-F145 HydrophobicContact CD2-CD2 4.07Å; Y131-F145 AromaticContact CD2-CE1 3.52Å; Y131-F145 HydrophobicContact CD2-CE1 3.52Å; Y131-F145 HydrophobicContact CD2-CE2 4.09Å; Y131-F145 AromaticContact CD2-CG 3.76Å; Y131-F145 HydrophobicContact CD2-CG 3.76Å; Y131-F145 AromaticContact CD2-CZ 3.83Å; Y131-F145 HydrophobicContact CD2-CZ 3.83Å; Y131-F145 AromaticContact CE2-CD1 3.98Å; Y131-F145 HydrophobicContact CE2-CD1 3.98Å; Y131-F145 HydrophobicContact CE2-CE1 4.38Å; Y131-F145 HydrophobicContact CE2-CG 4.25Å; Y131-F145 HydrophobicContact CG-CE1 4.32Å; Y131-F145 HydrophobicContact CG-CZ 4.29Å; V135-F145 HydrophobicContact CG2-CB 3.63Å; V135-F145 HydrophobicContact CG2-CD2 3.92Å; V135-F145 HydrophobicContact CG2-CG 3.87Å; L140-F145 VanDerWaalsContact CD2-CA 3.48Å; L140-F145 HydrophobicContact CD2-CB 3.78Å; L140-F145 HydrophobicContact CD2-CD2 4.22Å; L140-F145 HydrophobicContact CD2-CG 4.5Å; L140-F145 HydrophobicContact CG-CB 4.47Å; S141-F145 PolarHBondContact O-N 3.3Å; S142-F145 PolarHBondContact O-N 3.13Å; E143-F145 VanDerWaalsContact C-N 3.32Å; E143-F145 PolarHBondContact O-N 3.16Å; F145-R148 WeakPolarHBondContact O-CD 3.35Å; F145-R148 WeakPolarHBondContact O-CG 3.28Å; F145-F151 HydrophobicContact CD1-CE2 4.11Å; F145-F151 HydrophobicContact CE1-CD2 4.4Å; F145-F151 AromaticContact CE1-CE2 3.6Å; F145-F151 HydrophobicContact CE1-CE2 3.6Å; F145-F151 AromaticContact CE1-CZ 3.98Å; F145-F151 HydrophobicContact CE1-CZ 3.98Å; F145-F151 HydrophobicContact CZ-CE2 4.01Å; F145-F151 HydrophobicContact CZ-CZ 4.23Å; F145-F151 WeakPolarHBondContact O-CD2 3.41Å
146W79.6Confident65.6Low26 Ų2670.3 Ų70.310%0.09840%0.401CS..Hα-helixtrans-80.6-14.1-179.2-65.4117.9000113.7K117 L120 L121 Y131 S142 E143 R148 F151K117-W146 HydrophobicContact CB-CD2 4.4Å; K117-W146 HydrophobicContact CB-CH2 3.81Å; K117-W146 HydrophobicContact CB-CZ2 3.56Å; K117-W146 HydrophobicContact CB-CZ3 4.33Å; K117-W146 HydrophobicContact CD-CD2 3.82Å; K117-W146 HydrophobicContact CD-CE3 4.46Å; K117-W146 HydrophobicContact CD-CG 3.86Å; K117-W146 HydrophobicContact CD-CZ2 4.35Å; K117-W146 HydrophobicContact CG-CD2 3.73Å; K117-W146 HydrophobicContact CG-CE3 3.92Å; K117-W146 HydrophobicContact CG-CG 4.29Å; K117-W146 HydrophobicContact CG-CH2 4.02Å; K117-W146 HydrophobicContact CG-CZ2 3.84Å; K117-W146 HydrophobicContact CG-CZ3 4.06Å; K117-W146 WeakPolarHBondContact O-CH2 3.46Å; L120-W146 HydrophobicContact CB-CH2 4.49Å; L120-W146 HydrophobicContact CD1-CZ3 4.27Å; L121-W146 HydrophobicContact CD1-CH2 4.32Å; L121-W146 HydrophobicContact CD1-CZ2 3.95Å; L121-W146 HydrophobicContact CD2-CH2 3.79Å; L121-W146 HydrophobicContact CD2-CZ2 4.07Å; L121-W146 HydrophobicContact CG-CH2 3.8Å; L121-W146 HydrophobicContact CG-CZ2 3.95Å; Y131-W146 HydrophobicContact CD2-CZ2 4.37Å; Y131-W146 HydrophobicContact CE2-CZ2 4.24Å; Y131-W146 AromaticContact CE2-NE1 3.76Å; S142-W146 PolarHBondContact O-N 3.32Å; S142-W146 VanDerWaalsContact O-N 3.16Å; E143-W146 PolarHBondContact O-N 3.25Å; W146-R148 PolarHBondContact O-N 2.9Å; W146-F151 HydrophobicContact CE3-CB 4.11Å; W146-F151 HydrophobicContact CE3-CD1 4.09Å; W146-F151 AromaticContact CE3-CD2 3.85Å; W146-F151 HydrophobicContact CE3-CD2 3.85Å; W146-F151 HydrophobicContact CE3-CE2 4.3Å; W146-F151 AromaticContact CE3-CG 3.75Å; W146-F151 HydrophobicContact CE3-CG 3.75Å; W146-F151 AromaticContact CZ3-CD1 3.89Å; W146-F151 HydrophobicContact CZ3-CD1 3.89Å; W146-F151 HydrophobicContact CZ3-CD2 4.26Å; W146-F151 HydrophobicContact CZ3-CE1 4.02Å; W146-F151 HydrophobicContact CZ3-CE2 4.38Å; W146-F151 HydrophobicContact CZ3-CG 4.03Å; W146-F151 HydrophobicContact CZ3-CZ 4.27Å; W146-F151 WeakPolarHBondContact O-CB 3.35Å
147A73Confident63.3Low67 Ų6771.4 Ų71.455%0.55440%0.403SS*.THydrogen-bonded Turntrans-76.61.1175.600000113.9E143E143-A147 VanDerWaalsContact O-CB 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3.45Å; E143-A147 PolarHBondContact O-N 3.41Å
148R68.6Low61.6Low4 Ų473.6 Ų73.62%0.01542%0.418CS..SBendtrans-64.3147.4-179.9-66.9176.7-174.8-179.8-1.9111.4L130 F145 W146 E150 F151 S152 E590 H594L130-R148 VanDerWaalsContact CD2-NH1 3.3Å; F145-R148 WeakPolarHBondContact O-CD 3.35Å; F145-R148 WeakPolarHBondContact O-CG 3.28Å; W146-R148 PolarHBondContact O-N 2.9Å; R148-E150 HydrophobicContact CB-CB 4.45Å; R148-E150 WeakPolarHBondContact CD-OE2 3.46Å; R148-E150 PolarHBondContact O-N 3.46Å; R148-E150 VanDerWaalsContact O-N 3.1Å; R148-F151 HydrophobicContact CB-CD2 3.91Å; R148-F151 HydrophobicContact CB-CE2 4.41Å; R148-F151 HydrophobicContact CG-CD2 4.48Å; R148-F151 CarbonylContact O-C 3.51Å; R148-F151 PolarHBondContact O-N 3.49Å; R148-S152 VanDerWaalsContact O-CB 3.29Å; R148-S152 WeakPolarHBondContact O-CB 3.47Å; R148-S152 PolarHBondContact O-N 3.42Å; R148-E590 VanDerWaalsContact CZ-CG 3.46Å; R148-E590 IonicContact CZ-OE1 2.9Å; R148-E590 IonicContact NE-OE1 3.91Å; R148-E590 PolarHBondContact NE-OE1 3.4Å; R148-E590 IonicContact NH1-OE1 3.83Å; R148-E590 IonicContact NH2-OE1 2.65Å; R148-E590 PolarHBondContact NH2-OE1 2.93Å; R148-H594 PolarHBondContact NH2-NE2 3.2Å
149P62.1Low59.9Low99 Ų9976 Ų7664%0.64343%0.426SS*.THydrogen-bonded Turntrans-53.7-31.1173.6-24.734.1000113F151 S152P149-F151 PolarHBondContact O-N 3.12Å; P149-S152 PolarHBondContact O-N 3.43Å
150E64Low58.2Low72 Ų7283.9 Ų83.934%0.33646%0.463SS..THydrogen-bonded Turntrans-60.9-28175.3-62.9125.9-137.800113.7R148 F205R148-E150 HydrophobicContact CB-CB 4.45Å; R148-E150 WeakPolarHBondContact CD-OE2 3.46Å; R148-E150 PolarHBondContact O-N 3.46Å; R148-E150 VanDerWaalsContact O-N 3.1Å; E150-F205 HydrophobicContact CB-CD2 4.28Å; E150-F205 HydrophobicContact CG-CD2 4.47Å; E150-F205 HydrophobicContact CG-CE2 4.49Å
151F65.2Low56Low15 Ų1588.4 Ų88.47%0.06649%0.494CS..THydrogen-bonded Turntrans-114.5-10.4-179-53.8-56000113.1I127 F145 W146 R148 P149 H153I127-F151 HydrophobicContact CD1-CE1 4.06Å; I127-F151 HydrophobicContact CD1-CZ 4.18Å; I127-F151 HydrophobicContact CG2-CE1 4.28Å; I127-F151 HydrophobicContact CG2-CZ 3.71Å; F145-F151 HydrophobicContact CD1-CE2 4.11Å; F145-F151 HydrophobicContact CE1-CD2 4.4Å; F145-F151 AromaticContact CE1-CE2 3.6Å; F145-F151 HydrophobicContact CE1-CE2 3.6Å; F145-F151 AromaticContact CE1-CZ 3.98Å; F145-F151 HydrophobicContact CE1-CZ 3.98Å; F145-F151 HydrophobicContact CZ-CE2 4.01Å; F145-F151 HydrophobicContact CZ-CZ 4.23Å; F145-F151 WeakPolarHBondContact O-CD2 3.41Å; W146-F151 HydrophobicContact CE3-CB 4.11Å; W146-F151 HydrophobicContact CE3-CD1 4.09Å; W146-F151 AromaticContact CE3-CD2 3.85Å; W146-F151 HydrophobicContact CE3-CD2 3.85Å; W146-F151 HydrophobicContact CE3-CE2 4.3Å; W146-F151 AromaticContact CE3-CG 3.75Å; W146-F151 HydrophobicContact CE3-CG 3.75Å; W146-F151 AromaticContact CZ3-CD1 3.89Å; W146-F151 HydrophobicContact CZ3-CD1 3.89Å; W146-F151 HydrophobicContact CZ3-CD2 4.26Å; W146-F151 HydrophobicContact CZ3-CE1 4.02Å; W146-F151 HydrophobicContact CZ3-CE2 4.38Å; W146-F151 HydrophobicContact CZ3-CG 4.03Å; W146-F151 HydrophobicContact CZ3-CZ 4.27Å; W146-F151 WeakPolarHBondContact O-CB 3.35Å; R148-F151 HydrophobicContact CB-CD2 3.91Å; R148-F151 HydrophobicContact CB-CE2 4.41Å; R148-F151 HydrophobicContact CG-CD2 4.48Å; R148-F151 CarbonylContact O-C 3.51Å; R148-F151 PolarHBondContact O-N 3.49Å; P149-F151 PolarHBondContact O-N 3.12Å; F151-H153 PolarHBondContact O-N 2.9Å
152S53.4Low53.6Low52 Ų5293.3 Ų93.336%0.36452%0.515SS..  trans-83.9100-175.2-166.10000110.3R148 P149 N154R148-S152 VanDerWaalsContact O-CB 3.29Å; R148-S152 WeakPolarHBondContact O-CB 3.47Å; R148-S152 PolarHBondContact O-N 3.42Å; P149-S152 PolarHBondContact O-N 3.43Å; S152-N154 PolarHBondContact O-N 3.39Å
153H50.5Low51.2Low115 Ų11597.9 Ų97.953%0.53254%0.535SS..THydrogen-bonded Turntrans-58.4-0.4178.5-64-57.3000116.2F151 D209F151-H153 PolarHBondContact O-N 2.9Å; H153-D209 IonicContact CE1-OD2 2.62Å; H153-D209 PolarHBondContact CE1-OD2 2.73Å; H153-D209 IonicContact ND1-OD2 2.83Å; H153-D209 IonicContact NE2-OD2 3.13Å
154N42.3Very low48.9Very low130 Ų13098.3 Ų98.370%0.69554%0.542SS*.THydrogen-bonded Turntrans-104.5-6.2-165.1-81.7-7.8000116.6S152S152-N154 PolarHBondContact O-N 3.39Å
155N36.2Very low46.8Very low144 Ų144102.4 Ų102.477%0.7758%0.575SS**SBendtrans-117.39.1-173.5-86.93.8000116.8N157N155-N157 PolarHBondContact O-N 3.42Å
156F34.7Very low44.3Very low193 Ų193109.6 Ų109.685%0.84662%0.619SS**  trans-86.927.7171.2-102.1-81.7000114.4S158F156-S158 PolarHBondContact O-N 3.46Å
157N31.1Very low42.1Very low136 Ų136112.5 Ų112.573%0.72765%0.649SS**  trans-85.436.9160.4-75.2-16.7000111.5N155 S159N155-N157 PolarHBondContact O-N 3.42Å; N157-S159 PolarHBondContact O-N 3.1Å
158S31.5Very low40.3Very low106 Ų106116.8 Ų116.874%0.74166%0.662SS**  trans-75.458.7166.1-177.80000109.8F156F156-S158 PolarHBondContact O-N 3.46Å
159S34.7Very low38.7Very low108 Ų108124.6 Ų124.676%0.75570%0.704SS**  trans-153.340.6165.7-48.80000108.4N157N157-S159 PolarHBondContact O-N 3.1Å
160Q32.5Very low37.2Very low185 Ų185130 Ų13086%0.86472%0.718SS**  trans-126.963.9157.2-94-172.1-9.900107.3
161C26.3Very low35.8Very low102 Ų102131.8 Ų131.869%0.68974%0.744SS**  trans-73.7131.2153.447.60000107.3
162L27.8Very low34.2Very low150 Ų150137.2 Ų137.279%0.78579%0.785SS**SBendtrans63.9106.7171.2-53.1115000115.4
163N27.5Very low33.2Very low158 Ų158138 Ų13885%0.84580%0.801SS**  trans168.877.2138.9-80.8-17.2000109.6
164N30.1Very low32.4Very low168 Ų168138.5 Ų138.590%0.89881%0.812SS**  trans-146.168.5162.4-96-15.6000108.6
165S30.6Very low31.8Very low120 Ų120138.9 Ų138.984%0.83982%0.82SS**  trans-142.469.8167.5-570000108.9
166T29.6Very low31.6Very low151 Ų151135.1 Ų135.193%0.92682%0.815SS**  trans-131.384.6163.3-46.20000107.6
167A33.1Very low31.5Very low88 Ų88132.5 Ų132.573%0.72782%0.815SS**  trans-136.9103.1167.200000108.9
168N35.6Very low31.4Very low156 Ų156130.6 Ų130.683%0.83481%0.812SS**  trans61.587.3142.9-61.3-13.1000119.4
169N33.8Very low31.3Very low169 Ų169134.4 Ų134.490%0.90482%0.818SS**  trans-79.6110.7145.9-85.9-26.3000109.8
170K31.5Very low31.3Very low212 Ų212134.1 Ų134.192%0.92282%0.822SS**  trans-178.194.1147-106.1174.3-177.2-179.90110
171A32.8Very low31.3Very low109 Ų109129.6 Ų129.690%0.90182%0.817SS**  trans-167.6112.5151.800000110.6
172S32.8Very low31.8Very low130 Ų130129.7 Ų129.791%0.90982%0.816SS**  trans-135.812715261.40000107.1
173G32.3Very low31.8Very low69 Ų69130 Ų13071%0.71182%0.818SS**  trans157.761.8-178.900000117.5
174T34.4Very low32.1Very low125 Ų125127.9 Ų127.977%0.76782%0.816SS**  76.5110128.6-32.40000120.7
175T29.8Very low32.1Very low138 Ų138123.7 Ų123.785%0.84780%0.804SS**  trans66.9128.213662.10000122.8
176G31.4Very low32.1Very low65 Ų65125.1 Ų125.167%0.6780%0.803SS**  trans151.999.2146.200000115.4
177T31.8Very low32.3Very low138 Ų138125.9 Ų125.985%0.84780%0.798SS**  trans24141.6136.657.40000119.2
178S30.7Very low32Very low95 Ų95129 Ų12966%0.66480%0.802SS**  cis176.2162.21.946.20000105.6
179E29.3Very low31.7Very low186 Ų186126 Ų12687%0.86979%0.792SS**  trans90.6129.4155.8-57.4-171.715400121.9
180A33.4Very low31.6Very low102 Ų102125.7 Ų125.784%0.84379%0.786SS**  trans89.283.9148.400000120.6
181A32.1Very low31.4Very low91 Ų91123.9 Ų123.975%0.75279%0.786SS**  trans-40.1-179148.800000117.1
182P37.7Very low31.4Very low104 Ų104124.9 Ų124.968%0.67578%0.776SS**  cis-143-172.9-36.134.2-12.9000115
183N28.7Very low31.5Very low155 Ų155124.9 Ų124.983%0.82977%0.773SS**  trans92.6105.8151.9-61.2-19.8000121.1
184S33Very low31.4Very low115 Ų115125.7 Ų125.780%0.80477%0.768SS**  179.399.2125-170.30000108.4
185A30.6Very low31.2Very low79 Ų79127.9 Ų127.965%0.65378%0.775SS**  48.69994.800000113.9
186N30.7Very low31.1Very low150 Ų150124.1 Ų124.180%0.80276%0.764SS**  168.1127.599.9-99.4-18.1000114.6
187M32.3Very low31.1Very low167 Ų167127.5 Ų127.582%0.82377%0.774SS**  trans70.590.2139.3-60-142.47600120.9
188L27.1Very low31.1Very low155 Ų155127.3 Ų127.381%0.81277%0.773SS**  trans-65.6170.2142.4-78.297.8000112.5
189S29.2Very low31.3Very low91 Ų91127.5 Ų127.564%0.63677%0.774SS**  trans88.5135.6156.7-89.50000116.5
190Q31.9Very low31.5Very low163 Ų163127.8 Ų127.876%0.76278%0.776SS**  cis-166.5122.319.2-126.8150.925.200108.3
191N28.1Very low31.5Very low174 Ų174129.8 Ų129.893%0.9377%0.771SS**  trans-88.7121.9160.4-87.8-23.8000107.2
192N32.4Very low31.7Very low131 Ų131130.8 Ų130.870%0.70177%0.772SS**  trans-137.1111.2173.9-144.35.8000107.1S194N192-S194 PolarHBondContact O-N 2.91Å
193P35.1Very low31.7Very low130 Ų130132.7 Ų132.784%0.84477%0.766SS**  trans-92.891.517333.3-24.5000108.3
194S30.3Very low32.3Very low86 Ų86130 Ų13060%0.60176%0.759SS**  trans-120.6107.9169.8630000110.5N192N192-S194 PolarHBondContact O-N 2.91Å
195N30.1Very low32.9Very low170 Ų170127.6 Ų127.691%0.90973%0.734SS**  trans47.9100.9146-61.5-22.4000119
196G28.3Very low33.4Very low60 Ų60132.1 Ų132.162%0.61974%0.742SS**  trans-154.5124.1158.800000110.6T198G196-T198 PolarHBondContact O-N 3.49Å
197P29.6Very low34.4Very low135 Ų135126.8 Ų126.888%0.87771%0.713SS**  trans-8474.1-171.835.4-33.5000110.6
198T32.7Very low35.2Very low134 Ų134124.1 Ų124.182%0.82270%0.702SS**  trans-148.561.3177.8-42.60000112G196G196-T198 PolarHBondContact O-N 3.49Å
199S35.1Very low36.1Very low99 Ų99120.6 Ų120.669%0.69268%0.684SS**  trans-144.511.5171.158.60000114.5I201S199-I201 VanDerWaalsContact C-N 3.26Å; S199-I201 PolarHBondContact O-N 2.86Å
200Q32.7Very low37.1Very low193 Ų193127 Ų12790%0.90269%0.694SS**  trans-83.447-179-64.7-161-16.100114.3
201I33.8Very low38Very low144 Ų144124 Ų12474%0.73869%0.689SS**  trans-144.248.9158.9-43.5173.9000109.1S199 R203S199-I201 VanDerWaalsContact C-N 3.26Å; S199-I201 PolarHBondContact O-N 2.86Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 HydrophobicContact CG2-CG 4.21Å; I201-R203 PolarHBondContact O-N 2.8Å
202S36.8Very low39.3Very low111 Ų111124.5 Ų124.578%0.77669%0.686SS**  trans-88.485155.2-65.50000106.3S204S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 2.85Å
203R37.6Very low40.7Very low144 Ų144121.1 Ų121.154%0.54367%0.67SS.*  trans-65.296.8166.4-65.7-173.8-167.1175.16.6105.7E126 I201 F205E126-R203 IonicContact OE1-NH1 2.64Å; E126-R203 PolarHBondContact OE1-NH1 2.89Å; E126-R203 IonicContact OE2-CZ 3.72Å; E126-R203 IonicContact OE2-NH1 2.91Å; E126-R203 PolarHBondContact OE2-NH1 3.38Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 HydrophobicContact CG2-CG 4.21Å; I201-R203 PolarHBondContact O-N 2.8Å; R203-F205 VanDerWaalsContact C-N 3.3Å; R203-F205 HydrophobicContact CB-CE1 4.5Å; R203-F205 HydrophobicContact CB-CZ 4.3Å; R203-F205 WeakPolarHBondContact O-CD2 3.34Å; R203-F205 PolarHBondContact O-N 3.13Å
204S40.9Very low42.2Very low100 Ų100120.3 Ų120.370%0.69966%0.657SS**  trans-61.898.6168.454.60000106.9S202 Q206S202-S204 VanDerWaalsContact C-N 3.26Å; S202-S204 PolarHBondContact O-N 2.85Å; S204-Q206 VanDerWaalsContact C-N 3.28Å; S204-Q206 PolarHBondContact O-N 2.81Å
205F45.7Very low44.1Very low63 Ų63118.2 Ų118.228%0.27665%0.649SS.*  trans-64.1100.8163.6-57.3-71.8000105.4I127 E150 R203 L207I127-F205 HydrophobicContact CD1-CD1 3.92Å; I127-F205 HydrophobicContact CD1-CD2 4.29Å; I127-F205 HydrophobicContact CD1-CE1 3.73Å; I127-F205 HydrophobicContact CD1-CE2 4.11Å; I127-F205 HydrophobicContact CD1-CG 4.19Å; I127-F205 HydrophobicContact CD1-CZ 3.83Å; I127-F205 HydrophobicContact CG1-CE1 4.24Å; I127-F205 HydrophobicContact CG1-CZ 4.13Å; E150-F205 HydrophobicContact CB-CD2 4.28Å; E150-F205 HydrophobicContact CG-CD2 4.47Å; E150-F205 HydrophobicContact CG-CE2 4.49Å; R203-F205 VanDerWaalsContact C-N 3.3Å; R203-F205 HydrophobicContact CB-CE1 4.5Å; R203-F205 HydrophobicContact CB-CZ 4.3Å; R203-F205 WeakPolarHBondContact O-CD2 3.34Å; R203-F205 PolarHBondContact O-N 3.13Å; F205-L207 PolarHBondContact O-N 3.47Å
206Q42.1Very low46.3Very low175 Ų175110.7 Ų110.782%0.81861%0.609SS**  trans-71.180.5177.7-151.8169.214.800106.3S204 D208S204-Q206 VanDerWaalsContact C-N 3.28Å; S204-Q206 PolarHBondContact O-N 2.81Å; Q206-D208 PolarHBondContact O-N 3.09Å
207L49.7Very low48.7Very low37 Ų37110.5 Ų110.519%0.19460%0.597CS.*  trans-57.5115.3163.2-86.2153000106.6L120 F205 D209L120-L207 HydrophobicContact CD1-CD2 3.62Å; L120-L207 HydrophobicContact CD2-CD2 3.28Å; L120-L207 HydrophobicContact CD2-CG 4.03Å; L120-L207 HydrophobicContact CG-CD2 3.91Å; F205-L207 PolarHBondContact O-N 3.47Å; L207-D209 PolarHBondContact O-N 3.37Å
208D49.7Very low50.8Low112 Ų112107.7 Ų107.760%0.59958%0.581SS**  trans-61.327177.6-81.5-37.8000114.4Q206 R210Q206-D208 PolarHBondContact O-N 3.09Å; D208-R210 VanDerWaalsContact C-N 3.33Å; D208-R210 PolarHBondContact O-N 3.22Å
209D47Very low52.9Low80 Ų80104 Ų10443%0.42856%0.56SS.*SBendtrans-94.725.9-165.1-89.7-21.8000115.6H153 L207H153-D209 IonicContact CE1-OD2 2.62Å; H153-D209 PolarHBondContact CE1-OD2 2.73Å; H153-D209 IonicContact ND1-OD2 2.83Å; H153-D209 IonicContact NE2-OD2 3.13Å; L207-D209 PolarHBondContact O-N 3.37Å
210R49.8Very low54.9Low225 Ų22599.7 Ų99.785%0.84953%0.529SS*.SBendtrans-149.8105.6131.5-85.8-176.1-171.9168.23.6103.8D208 Q212D208-R210 VanDerWaalsContact C-N 3.33Å; D208-R210 PolarHBondContact O-N 3.22Å; R210-Q212 PolarHBondContact O-N 2.86Å
211P51.5Low56.8Low100 Ų10091.8 Ų91.865%0.64949%0.493SS*.  trans-55.1117.6168.224.2-31000104.7V213P211-V213 VanDerWaalsContact C-N 3.35Å; P211-V213 PolarHBondContact O-N 2.81Å
212Q54.4Low58.6Low185 Ų18589.3 Ų89.386%0.86449%0.488SS*.  trans-49.9114.1170.2-179.4177.10.600104.5R210 I214R210-Q212 PolarHBondContact O-N 2.86Å; Q212-I214 PolarHBondContact O-N 2.98Å
213V62.5Low60.4Low61 Ų6189 Ų8937%0.3748%0.478SS..  trans-65.2108.6-169.11750000105.4P211 G215P211-V213 VanDerWaalsContact C-N 3.35Å; P211-V213 PolarHBondContact O-N 2.81Å; V213-G215 PolarHBondContact O-N 3.41Å
214I66.6Low62.2Low113 Ų11383.1 Ų83.158%0.57946%0.457SS*.PPolyproline II helixtrans-51.5120.8-177.7-59.4170.2000107.5Q212 R248Q212-I214 PolarHBondContact O-N 2.98Å; I214-R248 PolarHBondContact O-NH1 3.45Å
215G69.9Low63.5Low41 Ų4186 Ų8642%0.42346%0.457SS..PPolyproline II helixtrans-60.8149.8178.300000110.1V213 P217V213-G215 PolarHBondContact O-N 3.41Å; G215-P217 WeakPolarHBondContact O-CD 3.3Å
216V76.5Confident64.9Low12 Ų1286.8 Ų86.87%0.07347%0.468CS..PPolyproline II helixtrans-75.1119.5175.7178.40000108.3L220 R248 A249 V384 S387V216-L220 HydrophobicContact CG1-CD2 4Å; V216-R248 HydrophobicContact CG2-CB 3.61Å; V216-A249 HydrophobicContact CG1-CB 4.01Å; V216-V384 HydrophobicContact CB-CG1 4.34Å; V216-V384 HydrophobicContact CG1-CG1 4.29Å; V216-V384 HydrophobicContact CG1-CG2 4.23Å; V216-S387 VanDerWaalsContact CG2-OG 3.3Å; V216-S387 WeakPolarHBondContact CG2-OG 3.35Å
217P79.3Confident66.3Low56 Ų5683.6 Ų83.636%0.36445%0.453SS..PPolyproline II helixtrans-67.4142.4176.828-33.3000110.3G215 C219 L220G215-P217 WeakPolarHBondContact O-CD 3.3Å; P217-C219 PolarHBondContact O-N 3.16Å; P217-L220 HydrophobicContact CG-CB 4.33Å; P217-L220 HydrophobicContact CG-CD1 4.35Å; P217-L220 WeakPolarHBondContact O-CB 3.42Å; P217-L220 PolarHBondContact O-N 2.89Å
218S72Confident67.1Low77 Ų7786.3 Ų86.354%0.53848%0.481SS..THydrogen-bonded Turntrans-60.8-33.9178-175.60000112.1L220 H380S218-L220 VanDerWaalsContact C-N 3.26Å; S218-L220 PolarHBondContact O-N 3.26Å; S218-H380 PolarHBondContact O-NE2 3.32Å
219C77.6Confident68Low56 Ų5686.2 Ų86.238%0.37848%0.48SS..THydrogen-bonded Turntrans-80.59.7179520000115P217 L221 S222 D223P217-C219 PolarHBondContact O-N 3.16Å; C219-L221 VanDerWaalsContact C-N 3.3Å; C219-L221 PolarHBondContact O-N 2.79Å; C219-S222 PolarHBondContact O-N 3.24Å; C219-D223 PolarHBondContact O-N 3.13Å; C219-D223 VanDerWaalsContact O-N 3.07Å; C219-D223 PolarHBondContact SG-OD2 2.71Å
220L76.5Confident68.6Low8 Ų886.5 Ų86.54%0.04250%0.503CS..THydrogen-bonded Turntrans-42.5-48.6-172.5178.866.2000115V216 P217 S218 I224 T242 A245 I246 A249V216-L220 HydrophobicContact CG1-CD2 4Å; P217-L220 HydrophobicContact CG-CB 4.33Å; P217-L220 HydrophobicContact CG-CD1 4.35Å; P217-L220 WeakPolarHBondContact O-CB 3.42Å; P217-L220 PolarHBondContact O-N 2.89Å; S218-L220 VanDerWaalsContact C-N 3.26Å; S218-L220 PolarHBondContact O-N 3.26Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-T242 HydrophobicContact CD1-CG2 4.5Å; L220-A245 HydrophobicContact CD1-CB 3.48Å; L220-A245 VanDerWaalsContact CD1-CB 3.48Å; L220-A245 HydrophobicContact CD2-CB 4.22Å; L220-I246 HydrophobicContact CD2-CG1 4.03Å; L220-I246 HydrophobicContact CG-CG1 4.39Å; L220-A249 HydrophobicContact CD2-CB 3.9Å
221L73.7Confident69Low27 Ų2780 Ų8014%0.14150%0.497CS..THydrogen-bonded Turntrans-80.8-23.9-177.7-64.6-173.2000113.5C219 Y250 F280C219-L221 VanDerWaalsContact C-N 3.3Å; C219-L221 PolarHBondContact O-N 2.79Å; L221-Y250 HydrophobicContact CD1-CE2 4.06Å; L221-Y250 WeakPolarHBondContact CD1-OH 3.37Å; L221-Y250 HydrophobicContact CD2-CE2 4.06Å; L221-Y250 HydrophobicContact CG-CE2 4.2Å; L221-F280 HydrophobicContact CB-CE2 4.25Å; L221-F280 HydrophobicContact CD1-CD2 4.44Å; L221-F280 HydrophobicContact CD1-CE2 4.46Å; L221-F280 HydrophobicContact CD2-CD2 4.24Å; L221-F280 HydrophobicContact CD2-CE2 4Å; L221-F280 HydrophobicContact CG-CE2 4.48Å
222S70.5Confident69.6Low92 Ų9283.8 Ų83.864%0.64351%0.512SS*.THydrogen-bonded Turntrans-81.4-28.1-178-57.40000112.6C219 I224C219-S222 PolarHBondContact O-N 3.24Å; S222-I224 VanDerWaalsContact C-N 3.25Å; S222-I224 PolarHBondContact O-N 2.96Å
223D74.3Confident70.1Confident106 Ų10676.6 Ų76.657%0.56749%0.487SS*.SBendtrans-73.6-20.9178.2-69.2-15000112.3C219 K225C219-D223 PolarHBondContact O-N 3.13Å; C219-D223 VanDerWaalsContact O-N 3.07Å; C219-D223 PolarHBondContact SG-OD2 2.71Å; D223-K225 VanDerWaalsContact C-N 3.3Å; D223-K225 PolarHBondContact O-N 2.86Å
224I75.8Confident70.6Confident19 Ų1979.2 Ų79.210%0.09750%0.498CS..  trans-78.682176.1-53.8168.7000108.6L220 S222 Y236 T242 I246 F275L220-I224 WeakPolarHBondContact O-CG1 3.33Å; S222-I224 VanDerWaalsContact C-N 3.25Å; S222-I224 PolarHBondContact O-N 2.96Å; I224-Y236 HydrophobicContact CG2-CD1 3.85Å; I224-Y236 HydrophobicContact CG2-CE1 4.45Å; I224-T242 HydrophobicContact CD1-CG2 3.65Å; I224-T242 HydrophobicContact CG1-CG2 3.92Å; I224-I246 HydrophobicContact CD1-CD1 4.08Å; I224-F275 HydrophobicContact CD1-CE1 4.48Å; I224-F275 HydrophobicContact CD1-CZ 4.42Å; I224-F275 HydrophobicContact CG2-CE1 3.89Å; I224-F275 HydrophobicContact CG2-CZ 3.81Å
225K68.8Low71.1Confident161 Ų16179.2 Ų79.270%0.749%0.493SS*.PPolyproline II helixtrans-81.1136.1177.9-68.9-177.4179.9175.80111D223 E227D223-K225 VanDerWaalsContact C-N 3.3Å; D223-K225 PolarHBondContact O-N 2.86Å; K225-E227 PolarHBondContact O-N 3.21Å
226P74.9Confident71.4Confident79 Ų7980.3 Ų80.351%0.51349%0.485SS..PPolyproline II helixtrans-66.5121.9169.426.8-31.3000109.5I234 Y236P226-I234 HydrophobicContact CB-CG2 3.36Å; P226-Y236 HydrophobicContact CB-CE1 4.02Å
227E70.6Confident71.6Confident108 Ų10883.6 Ų83.651%0.50550%0.502SS..EExtended strand (participates in β ladder)trans-87.8124.4168.8-73.7177-161.100108.6K225 D229 K235 N237K225-E227 PolarHBondContact O-N 3.21Å; E227-D229 PolarHBondContact O-N 2.9Å; E227-K235 PolarHBondContact N-O 3.06Å; E227-K235 PolarHBondContact O-N 3.1Å; E227-N237 PolarHBondContact OE1-ND2 3.45Å; E227-N237 PolarHBondContact OE2-ND2 2.69Å
228A67.5Low71.7Confident94 Ų9483.2 Ų83.278%0.77750%0.497SS*.EExtended strand (participates in β ladder)trans-78106.2174.300000108.7
229D67.8Low72.2Confident110 Ų11083.1 Ų83.159%0.58849%0.493SS*.EExtended strand (participates in β ladder)trans-80.8128166.1-167.47.2000106.9E227 A231 G233E227-D229 PolarHBondContact O-N 2.9Å; D229-A231 PolarHBondContact O-N 3.47Å; D229-G233 PolarHBondContact N-O 3.45Å
230G59.7Low72.4Confident87 Ų8787.4 Ų87.490%0.89751%0.508SS*.THydrogen-bonded Turntrans-60.413-158.200000118.3
231A58.6Low72.7Confident87 Ų8793.4 Ų93.472%0.71954%0.535SS*.THydrogen-bonded Turntrans-127.557.2-179.300000112.2D229 G233D229-A231 PolarHBondContact O-N 3.47Å; A231-G233 PolarHBondContact O-N 3.32Å
232N64.7Low73.3Confident181 Ų18193.6 Ų93.697%0.96854%0.538SS*.THydrogen-bonded Turntrans55.216.2179.5-84.73.6000115.3
233G65.1Low74Confident33 Ų3390 Ų9034%0.3451%0.511SS..EExtended strand (participates in β ladder)trans-101.3134.1179.400000111.5D229 A231D229-G233 PolarHBondContact N-O 3.45Å; A231-G233 PolarHBondContact O-N 3.32Å
234I72.8Confident74.5Confident116 Ų11687.5 Ų87.560%0.59550%0.498SS*.EExtended strand (participates in β ladder)trans-98.6120.4167.8-63.2170.8000107.3P226 Y236P226-I234 HydrophobicContact CB-CG2 3.36Å; I234-Y236 HydrophobicContact CG2-CD2 4.37Å; I234-Y236 HydrophobicContact CG2-CE2 3.81Å
235K77.1Confident75Confident113 Ų11387.2 Ų87.249%0.49150%0.498SS..EExtended strand (participates in β ladder)trans-104.9136.7175.7-170.4179.5176.9-171.30110E227 N237E227-K235 PolarHBondContact N-O 3.06Å; E227-K235 PolarHBondContact O-N 3.1Å; K235-N237 WeakPolarHBondContact CE-OD1 3.37Å
236Y76.1Confident75.8Confident65 Ų6579.5 Ų79.526%0.25547%0.465SS..  trans-111.6123171.1-66.1-78.9000108.9I224 P226 I234 F275I224-Y236 HydrophobicContact CG2-CD1 3.85Å; I224-Y236 HydrophobicContact CG2-CE1 4.45Å; P226-Y236 HydrophobicContact CB-CE1 4.02Å; I234-Y236 HydrophobicContact CG2-CD2 4.37Å; I234-Y236 HydrophobicContact CG2-CE2 3.81Å; Y236-F275 HydrophobicContact CD1-CD1 4.37Å; Y236-F275 HydrophobicContact CD1-CD2 4.38Å; Y236-F275 HydrophobicContact CD1-CE1 4.27Å; Y236-F275 HydrophobicContact CD1-CE2 4.27Å; Y236-F275 HydrophobicContact CD1-CG 4.44Å; Y236-F275 HydrophobicContact CD1-CZ 4.23Å; Y236-F275 HydrophobicContact CD2-CB 4.38Å; Y236-F275 AromaticContact CD2-CD2 3.72Å; Y236-F275 HydrophobicContact CD2-CD2 3.72Å; Y236-F275 HydrophobicContact CD2-CE2 4.19Å; Y236-F275 HydrophobicContact CD2-CG 4.04Å; Y236-F275 HydrophobicContact CE1-CD1 4.05Å; Y236-F275 HydrophobicContact CE1-CE1 4.28Å; Y236-F275 HydrophobicContact CE1-CG 4.24Å; Y236-F275 HydrophobicContact CE2-CB 3.79Å; Y236-F275 HydrophobicContact CE2-CD1 4.43Å; Y236-F275 AromaticContact CE2-CD2 3.99Å; Y236-F275 HydrophobicContact CE2-CD2 3.99Å; Y236-F275 AromaticContact CE2-CG 3.82Å; Y236-F275 HydrophobicContact CE2-CG 3.82Å; Y236-F275 AromaticContact CG-CD2 3.92Å; Y236-F275 HydrophobicContact CG-CD2 3.92Å; Y236-F275 AromaticContact CG-CE2 3.92Å; Y236-F275 HydrophobicContact CG-CE2 3.92Å; Y236-F275 HydrophobicContact CG-CG 4.34Å; Y236-F275 HydrophobicContact CG-CZ 4.33Å; Y236-F275 AromaticContact CZ-CG 3.92Å
237N79.5Confident76.5Confident81 Ų8177.1 Ų77.143%0.43345%0.446SS..  trans-94.3104.1173.3-65.3-44000108.9E227 K235E227-N237 PolarHBondContact OE1-ND2 3.45Å; E227-N237 PolarHBondContact OE2-ND2 2.69Å; K235-N237 WeakPolarHBondContact CE-OD1 3.37Å
238L81.7Confident77.1Confident47 Ų4777 Ų7725%0.24644%0.441CS..  trans-100.1117.9179-71.1162.2000110T242 I243 I246 W271 F275L238-T242 HydrophobicContact CD2-CG2 4.03Å; L238-I243 HydrophobicContact CB-CD1 4.22Å; L238-I243 HydrophobicContact CB-CG1 4.18Å; L238-I246 HydrophobicContact CD2-CD1 4.38Å; L238-W271 HydrophobicContact CD1-CB 3.85Å; L238-W271 HydrophobicContact CD1-CD2 3.83Å; L238-W271 HydrophobicContact CD1-CE3 4.29Å; L238-W271 HydrophobicContact CD1-CG 3.6Å; L238-F275 HydrophobicContact CD1-CE2 4.07Å; L238-F275 HydrophobicContact CD2-CE2 4.26Å; L238-F275 HydrophobicContact CD2-CZ 4Å; L238-F275 HydrophobicContact CG-CE2 4.42Å
239T83Confident78Confident76 Ų7672.6 Ų72.647%0.46641%0.405SS..  trans-80.9156.3168.466.80000110.2E241 T242 I243T239-E241 PolarHBondContact O-N 3.33Å; T239-T242 WeakPolarHBondContact O-CB 3.28Å; T239-T242 PolarHBondContact O-N 2.83Å; T239-T242 PolarHBondContact OG1-N 3.42Å; T239-T242 PolarHBondContact OG1-OG1 3.16Å; T239-I243 PolarHBondContact O-N 2.9Å
240H82.6Confident78.8Confident146 Ų14668 Ų6868%0.67638%0.379SS*.Hα-helixtrans-57-30.9173.7-177.3-106.4000111.7N244H240-N244 PolarHBondContact CE1-ND2 3.4Å; H240-N244 PolarHBondContact ND1-ND2 3.45Å; H240-N244 VanDerWaalsContact ND1-ND2 3.12Å; H240-N244 PolarHBondContact NE2-ND2 2.9Å; H240-N244 WeakPolarHBondContact O-CB 3.33Å; H240-N244 PolarHBondContact O-N 3.26Å; H240-N244 PolarHBondContact O-ND2 3.49Å
241E82.9Confident80.1Confident134 Ų13465.8 Ų65.863%0.62635%0.349SS*.Hα-helixtrans-66.2-45.7173.9-63.9179.2-179.800112.1T239 I243 N244 A245T239-E241 PolarHBondContact O-N 3.33Å; E241-I243 PolarHBondContact O-N 2.8Å; E241-N244 PolarHBondContact O-N 2.66Å; E241-A245 WeakPolarHBondContact O-CB 3.47Å; E241-A245 PolarHBondContact O-N 2.93Å
242T84.6Confident81.4Confident31 Ų3162.2 Ų62.219%0.1932%0.318CS..Hα-helixtrans-60.7-45.1176.2-54.70000111.5L220 I224 L238 T239 N244 A245 I246L220-T242 HydrophobicContact CD1-CG2 4.5Å; I224-T242 HydrophobicContact CD1-CG2 3.65Å; I224-T242 HydrophobicContact CG1-CG2 3.92Å; L238-T242 HydrophobicContact CD2-CG2 4.03Å; T239-T242 WeakPolarHBondContact O-CB 3.28Å; T239-T242 PolarHBondContact O-N 2.83Å; T239-T242 PolarHBondContact OG1-N 3.42Å; T239-T242 PolarHBondContact OG1-OG1 3.16Å; T242-N244 PolarHBondContact O-N 3.05Å; T242-A245 PolarHBondContact O-N 2.92Å; T242-I246 HydrophobicContact CG2-CD1 4.15Å; T242-I246 VanDerWaalsContact O-CG1 3.32Å; T242-I246 WeakPolarHBondContact O-CG1 3.46Å; T242-I246 PolarHBondContact O-N 3.37Å
243I86.6Confident82.5Confident16 Ų1653.6 Ų53.68%0.08227%0.272CS..Hα-helixtrans-59.4-47.3177.6-70.2170.8000110.9L238 T239 E241 A245 I246 F247 W271L238-I243 HydrophobicContact CB-CD1 4.22Å; L238-I243 HydrophobicContact CB-CG1 4.18Å; T239-I243 PolarHBondContact O-N 2.9Å; E241-I243 PolarHBondContact O-N 2.8Å; I243-A245 VanDerWaalsContact C-N 3.32Å; I243-A245 PolarHBondContact O-N 3.29Å; I243-I246 WeakPolarHBondContact O-CB 3.16Å; I243-I246 PolarHBondContact O-N 2.87Å; I243-F247 HydrophobicContact CG2-CD2 3.81Å; I243-F247 HydrophobicContact CG2-CE2 3.31Å; I243-F247 HydrophobicContact CG2-CZ 3.8Å; I243-F247 WeakPolarHBondContact O-CG 3.28Å; I243-F247 PolarHBondContact O-N 3.33Å; I243-W271 HydrophobicContact CB-CZ2 4.23Å; I243-W271 HydrophobicContact CD1-CZ2 4.45Å; I243-W271 HydrophobicContact CG1-CZ2 3.86Å; I243-W271 HydrophobicContact CG2-CH2 4.42Å; I243-W271 HydrophobicContact CG2-CZ2 3.7Å
244N84.7Confident83.6Confident53 Ų5357.8 Ų57.828%0.28328%0.278SS..Hα-helixtrans-64.7-36.4178.2-77.1-49.9000112.7H240 E241 T242 F247 R248H240-N244 PolarHBondContact CE1-ND2 3.4Å; H240-N244 PolarHBondContact ND1-ND2 3.45Å; H240-N244 VanDerWaalsContact ND1-ND2 3.12Å; H240-N244 PolarHBondContact NE2-ND2 2.9Å; H240-N244 WeakPolarHBondContact O-CB 3.33Å; H240-N244 PolarHBondContact O-N 3.26Å; H240-N244 PolarHBondContact O-ND2 3.49Å; E241-N244 PolarHBondContact O-N 2.66Å; T242-N244 PolarHBondContact O-N 3.05Å; N244-F247 PolarHBondContact O-N 3.47Å; N244-R248 WeakPolarHBondContact O-CG 3.25Å; N244-R248 PolarHBondContact O-N 3.1Å
245A85.3Confident84.4Confident13 Ų1355.7 Ų55.711%0.10727%0.268CS..Hα-helixtrans-65.5-39.3174.100000111.8L220 E241 T242 I243 R248 A249L220-A245 HydrophobicContact CD1-CB 3.48Å; L220-A245 VanDerWaalsContact CD1-CB 3.48Å; L220-A245 HydrophobicContact CD2-CB 4.22Å; E241-A245 WeakPolarHBondContact O-CB 3.47Å; E241-A245 PolarHBondContact O-N 2.93Å; T242-A245 PolarHBondContact O-N 2.92Å; I243-A245 VanDerWaalsContact C-N 3.32Å; I243-A245 PolarHBondContact O-N 3.29Å; A245-R248 PolarHBondContact O-N 3.36Å; A245-A249 WeakPolarHBondContact O-CB 3.44Å; A245-A249 PolarHBondContact O-N 3.43Å
246I86.6Confident84.8Confident0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-61.5-47173.2-66.7166.7000110.6L220 I224 L238 T242 I243 R248 A249 Y250 V253 W271 F274L220-I246 HydrophobicContact CD2-CG1 4.03Å; L220-I246 HydrophobicContact CG-CG1 4.39Å; I224-I246 HydrophobicContact CD1-CD1 4.08Å; L238-I246 HydrophobicContact CD2-CD1 4.38Å; T242-I246 HydrophobicContact CG2-CD1 4.15Å; T242-I246 VanDerWaalsContact O-CG1 3.32Å; T242-I246 WeakPolarHBondContact O-CG1 3.46Å; T242-I246 PolarHBondContact O-N 3.37Å; I243-I246 WeakPolarHBondContact O-CB 3.16Å; I243-I246 PolarHBondContact O-N 2.87Å; I246-R248 VanDerWaalsContact C-N 3.26Å; I246-R248 PolarHBondContact O-N 3.48Å; I246-A249 PolarHBondContact O-N 3.1Å; I246-Y250 HydrophobicContact CG2-CD2 4.2Å; I246-Y250 PolarHBondContact O-N 2.86Å; I246-V253 HydrophobicContact CG2-CG1 4.35Å; I246-W271 HydrophobicContact CB-CH2 4.28Å; I246-W271 HydrophobicContact CD1-CH2 4.04Å; I246-W271 HydrophobicContact CD1-CZ3 3.81Å; I246-W271 HydrophobicContact CG2-CH2 3.91Å; I246-W271 HydrophobicContact CG2-CZ3 4.04Å; I246-F274 HydrophobicContact CG2-CZ 4.33Å
247F88.2Confident85.5Confident29 Ų2951 Ų5113%0.12725%0.249CC..Hα-helixtrans-64.9-28.8178.4-68.1-30.4000113.9I243 N244 R254 H257 W271I243-F247 HydrophobicContact CG2-CD2 3.81Å; I243-F247 HydrophobicContact CG2-CE2 3.31Å; I243-F247 HydrophobicContact CG2-CZ 3.8Å; I243-F247 WeakPolarHBondContact O-CG 3.28Å; I243-F247 PolarHBondContact O-N 3.33Å; N244-F247 PolarHBondContact O-N 3.47Å; F247-R254 HydrophobicContact CB-CB 3.93Å; F247-R254 HydrophobicContact CB-CG 3.99Å; F247-R254 HydrophobicContact CD1-CB 3.63Å; F247-R254 HydrophobicContact CD1-CG 4.05Å; F247-R254 HydrophobicContact CE1-CB 4.4Å; F247-R254 HydrophobicContact CG-CB 3.96Å; F247-R254 HydrophobicContact CG-CG 3.97Å; F247-H257 HydrophobicContact CE1-CB 3.86Å; F247-H257 HydrophobicContact CZ-CB 3.99Å; F247-H257 AromaticContact CZ-CD2 3.89Å; F247-H257 AromaticContact CZ-CG 3.64Å; F247-H257 AromaticContact CZ-ND1 3.85Å; F247-W271 HydrophobicContact CE1-CH2 4.01Å; F247-W271 HydrophobicContact CE1-CZ2 4.01Å; F247-W271 HydrophobicContact CZ-CH2 4.31Å; F247-W271 AromaticContact CZ-CZ2 3.85Å; F247-W271 HydrophobicContact CZ-CZ2 3.85Å
248R84.8Confident85.8Confident105 Ų10557.3 Ų57.340%0.39627%0.267SS..Hα-helixtrans-76.2-40.9174.2-76178.8-175.21628.7112.5I214 V216 N244 A245 I246 S387I214-R248 PolarHBondContact O-NH1 3.45Å; V216-R248 HydrophobicContact CG2-CB 3.61Å; N244-R248 WeakPolarHBondContact O-CG 3.25Å; N244-R248 PolarHBondContact O-N 3.1Å; A245-R248 PolarHBondContact O-N 3.36Å; I246-R248 VanDerWaalsContact C-N 3.26Å; I246-R248 PolarHBondContact O-N 3.48Å; R248-S387 VanDerWaalsContact O-CB 3.26Å; R248-S387 WeakPolarHBondContact O-CB 3.33Å
249A84.8Confident86.2Confident1 Ų160.7 Ų60.71%0.00828%0.281CS..Hα-helixtrans-69.2-46177.400000111.4V216 L220 A245 I246 P251 L383V216-A249 HydrophobicContact CG1-CB 4.01Å; L220-A249 HydrophobicContact CD2-CB 3.9Å; A245-A249 WeakPolarHBondContact O-CB 3.44Å; A245-A249 PolarHBondContact O-N 3.43Å; I246-A249 PolarHBondContact O-N 3.1Å; A249-P251 WeakPolarHBondContact O-CD 3.35Å; A249-L383 WeakPolarHBondContact O-CB 3.5Å
250Y86.5Confident86.2Confident15 Ų1558.5 Ų58.56%0.05927%0.266CS..  trans-11987.9-171.8-56.5-68.3000110.9L221 I246 T252 V253 R254 Y279 H380 L383L221-Y250 HydrophobicContact CD1-CE2 4.06Å; L221-Y250 WeakPolarHBondContact CD1-OH 3.37Å; L221-Y250 HydrophobicContact CD2-CE2 4.06Å; L221-Y250 HydrophobicContact CG-CE2 4.2Å; I246-Y250 HydrophobicContact CG2-CD2 4.2Å; I246-Y250 PolarHBondContact O-N 2.86Å; Y250-T252 VanDerWaalsContact C-N 3.26Å; Y250-T252 PolarHBondContact O-N 3.43Å; Y250-V253 HydrophobicContact CG-CG2 4.48Å; Y250-V253 PolarHBondContact O-N 3.47Å; Y250-R254 PolarHBondContact O-N 3.34Å; Y250-Y279 HydrophobicContact CD1-CE1 4.13Å; Y250-Y279 AromaticContact CD1-CZ 3.99Å; Y250-Y279 WeakPolarHBondContact CD1-OH 3.28Å; Y250-Y279 HydrophobicContact CG-CE1 4.18Å; Y250-H380 AromaticContact CZ-ND1 3.58Å; Y250-H380 PolarHBondContact OH-CE1 2.88Å; Y250-H380 VanDerWaalsContact OH-CE1 3.31Å; Y250-H380 PolarHBondContact OH-ND1 3.14Å; Y250-L383 HydrophobicContact CD1-CD1 3.74Å; Y250-L383 HydrophobicContact CE1-CD1 3.8Å
251P85.3Confident86.4Confident40 Ų4052.6 Ų52.626%0.2624%0.241SC..Hα-helixtrans-64-31.4-177.924.6-33.3000112.7A249 V253 R254 D255A249-P251 WeakPolarHBondContact O-CD 3.35Å; P251-V253 VanDerWaalsContact C-N 3.34Å; P251-V253 PolarHBondContact O-N 3.26Å; P251-R254 WeakPolarHBondContact O-CB 3.38Å; P251-R254 PolarHBondContact O-N 3.4Å; P251-D255 PolarHBondContact O-N 2.88Å
252T86.7Confident86.3Confident12 Ų1251.2 Ų51.27%0.07424%0.243CC..Hα-helixtrans-63-38.1176.743.70000112.5Y250 D255 K256 I299 D300Y250-T252 VanDerWaalsContact C-N 3.26Å; Y250-T252 PolarHBondContact O-N 3.43Å; T252-D255 PolarHBondContact O-N 2.93Å; T252-K256 PolarHBondContact O-N 3.36Å; T252-I299 HydrophobicContact CG2-CB 4.08Å; T252-I299 HydrophobicContact CG2-CG2 3.6Å; T252-D300 WeakPolarHBondContact CG2-OD1 3.36Å; T252-D300 PolarHBondContact OG1-OD1 3.5Å; T252-D300 PolarHBondContact OG1-OD2 2.89Å
253V88.1Confident86Confident0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-66.8-40.6175.4179.20000111I246 Y250 P251 K256 H257 F270 F274 Y279 F293I246-V253 HydrophobicContact CG2-CG1 4.35Å; Y250-V253 HydrophobicContact CG-CG2 4.48Å; Y250-V253 PolarHBondContact O-N 3.47Å; P251-V253 VanDerWaalsContact C-N 3.34Å; P251-V253 PolarHBondContact O-N 3.26Å; V253-K256 PolarHBondContact O-N 3.1Å; V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.15Å; V253-F270 HydrophobicContact CG1-CE1 4.35Å; V253-F270 HydrophobicContact CG1-CZ 4.06Å; V253-F274 HydrophobicContact CG1-CD2 4.06Å; V253-F274 HydrophobicContact CG1-CE2 3.95Å; V253-F274 HydrophobicContact CG2-CD2 4.42Å; V253-F274 HydrophobicContact CG2-CE2 3.8Å; V253-Y279 HydrophobicContact CG2-CD1 4.07Å; V253-Y279 HydrophobicContact CG2-CE1 3.45Å; V253-Y279 VanDerWaalsContact CG2-CE1 3.45Å; V253-F293 HydrophobicContact CG1-CE1 4.4Å
254R88.4Confident85.7Confident120 Ų12063.6 Ų63.645%0.45330%0.301SS..Hα-helixtrans-62.2-44.5175.5-176.7-163.266.7-165.6-5.2111.7F247 Y250 P251 K256 H257 R258F247-R254 HydrophobicContact CB-CB 3.93Å; F247-R254 HydrophobicContact CB-CG 3.99Å; F247-R254 HydrophobicContact CD1-CB 3.63Å; F247-R254 HydrophobicContact CD1-CG 4.05Å; F247-R254 HydrophobicContact CE1-CB 4.4Å; F247-R254 HydrophobicContact CG-CB 3.96Å; F247-R254 HydrophobicContact CG-CG 3.97Å; Y250-R254 PolarHBondContact O-N 3.34Å; P251-R254 WeakPolarHBondContact O-CB 3.38Å; P251-R254 PolarHBondContact O-N 3.4Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.23Å; R254-H257 WeakPolarHBondContact O-CB 3.23Å; R254-H257 PolarHBondContact O-N 2.89Å; R254-R258 PolarHBondContact O-N 3.29Å; R254-R258 VanDerWaalsContact O-N 3.08Å
255D88.9Confident85.6Confident73 Ų7362.3 Ų62.339%0.3929%0.294SS..Hα-helixtrans-64.9-38.9179.1-62.5-13.3000110P251 T252 R258 E259P251-D255 PolarHBondContact O-N 2.88Å; T252-D255 PolarHBondContact O-N 2.93Å; D255-R258 WeakPolarHBondContact O-CB 3.44Å; D255-R258 PolarHBondContact O-N 3.43Å; D255-E259 WeakPolarHBondContact O-CG 3.17Å; D255-E259 PolarHBondContact O-N 3.16Å; D255-E259 VanDerWaalsContact O-N 3.14Å
256K86.6Confident85.7Confident40 Ų4064.3 Ų64.317%0.17431%0.307CS..Hα-helixtrans-68.1-36.8175-158.768.2-170.4165.10114.2T252 V253 R254 R258 E259 M260 I292T252-K256 PolarHBondContact O-N 3.36Å; V253-K256 PolarHBondContact O-N 3.1Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.23Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.22Å; K256-E259 IonicContact NZ-OE2 3.61Å; K256-E259 PolarHBondContact NZ-OE2 3.13Å; K256-E259 PolarHBondContact O-N 3.44Å; K256-M260 HydrophobicContact CD-CG 4.39Å; K256-M260 HydrophobicContact CG-CG 4.25Å; K256-M260 WeakPolarHBondContact O-CB 3.44Å; K256-M260 WeakPolarHBondContact O-CG 3.15Å; K256-M260 PolarHBondContact O-N 3.49Å; K256-I292 HydrophobicContact CD-CG2 4.17Å; K256-I292 HydrophobicContact CG-CG2 3.95Å
257H88.8Confident85.7Confident39 Ų3969 Ų6918%0.18133%0.328CS..Hα-helixtrans-58.7-44.6172.2179-91.2000110.7F247 V253 R254 E259 M260 V261 F270F247-H257 HydrophobicContact CE1-CB 3.86Å; F247-H257 HydrophobicContact CZ-CB 3.99Å; F247-H257 AromaticContact CZ-CD2 3.89Å; F247-H257 AromaticContact CZ-CG 3.64Å; F247-H257 AromaticContact CZ-ND1 3.85Å; V253-H257 WeakPolarHBondContact O-CB 3.25Å; V253-H257 PolarHBondContact O-N 3.15Å; R254-H257 WeakPolarHBondContact O-CB 3.23Å; R254-H257 PolarHBondContact O-N 2.89Å; H257-E259 VanDerWaalsContact C-N 3.31Å; H257-E259 PolarHBondContact O-N 2.99Å; H257-M260 PolarHBondContact O-N 3.25Å; H257-V261 WeakPolarHBondContact O-CB 3.44Å; H257-V261 PolarHBondContact O-N 3.01Å; H257-F270 HydrophobicContact CB-CE1 4.05Å; H257-F270 HydrophobicContact CB-CE2 4.11Å; H257-F270 HydrophobicContact CB-CZ 3.68Å; H257-F270 AromaticContact CD2-CD1 3.8Å; H257-F270 AromaticContact CD2-CE1 3.81Å
258R87.8Confident85.5Confident214 Ų21470.6 Ų70.681%0.80835%0.347SS*.Hα-helixtrans-64.8-30.3178.1-173179.1178.3-172-0.5113.8R254 D255 K256R254-R258 PolarHBondContact O-N 3.29Å; R254-R258 VanDerWaalsContact O-N 3.08Å; D255-R258 WeakPolarHBondContact O-CB 3.44Å; D255-R258 PolarHBondContact O-N 3.43Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.22Å
259E88.2Confident85.6Confident117 Ų11769.2 Ų69.255%0.54735%0.348SS..Hα-helixtrans-81-33.4177.8-72.2178.5-18000113.8D255 K256 H257D255-E259 WeakPolarHBondContact O-CG 3.17Å; D255-E259 PolarHBondContact O-N 3.16Å; D255-E259 VanDerWaalsContact O-N 3.14Å; K256-E259 IonicContact NZ-OE2 3.61Å; K256-E259 PolarHBondContact NZ-OE2 3.13Å; K256-E259 PolarHBondContact O-N 3.44Å; H257-E259 VanDerWaalsContact C-N 3.31Å; H257-E259 PolarHBondContact O-N 2.99Å
260M84Confident85.8Confident30 Ų3069.2 Ų69.215%0.14835%0.348CS..Hα-helixtrans-103-30.1-169.6-65.6-63.5-132.400113.5K256 H257 D263 K264 L265 I292K256-M260 HydrophobicContact CD-CG 4.39Å; K256-M260 HydrophobicContact CG-CG 4.25Å; K256-M260 WeakPolarHBondContact O-CB 3.44Å; K256-M260 WeakPolarHBondContact O-CG 3.15Å; K256-M260 PolarHBondContact O-N 3.49Å; H257-M260 PolarHBondContact O-N 3.25Å; M260-D263 PolarHBondContact O-N 2.72Å; M260-K264 PolarHBondContact O-N 3.09Å; M260-K264 HydrophobicContact SD-CB 4.21Å; M260-K264 HydrophobicContact SD-CD 3.79Å; M260-K264 HydrophobicContact SD-CG 4.33Å; M260-L265 PolarHBondContact O-N 3.38Å; M260-L265 VanDerWaalsContact O-N 3.13Å; M260-I292 HydrophobicContact CE-CB 4.44Å; M260-I292 HydrophobicContact CE-CD1 4.14Å; M260-I292 HydrophobicContact CE-CG1 4.19Å; M260-I292 HydrophobicContact CE-CG2 3.4Å; M260-I292 VanDerWaalsContact CE-CG2 3.4Å; M260-I292 HydrophobicContact CG-CG2 4.38Å
261V87.1Confident85.8Confident23 Ų2369.1 Ų69.114%0.13935%0.347CS..THydrogen-bonded Turntrans-107.6127.6-177.5-176.70000108.5H257 E267 F270H257-V261 WeakPolarHBondContact O-CB 3.44Å; H257-V261 PolarHBondContact O-N 3.01Å; V261-E267 HydrophobicContact CG1-CB 4.35Å; V261-F270 HydrophobicContact CG2-CB 3.76Å; V261-F270 HydrophobicContact CG2-CD2 4.02Å; V261-F270 HydrophobicContact CG2-CG 3.94Å
262P80.3Confident85.7Confident105 Ų10571.1 Ų71.168%0.68236%0.355SS*.THydrogen-bonded Turncis-95.5-1.86.534-29.2000115.2K264P262-K264 PolarHBondContact O-N 2.93Å
263D78.3Confident85.5Confident146 Ų14674.4 Ų74.478%0.78137%0.368SS*.THydrogen-bonded Turntrans-69.7-33.5-164.4-63.8-21.1000114.8M260M260-D263 PolarHBondContact O-N 2.72Å
264K79.9Confident85.4Confident160 Ų16074.5 Ų74.570%0.69637%0.368SS*.THydrogen-bonded Turntrans-114.6-27.1-175-58.6-158.3-175.1-165.70114.5M260 P262M260-K264 PolarHBondContact O-N 3.09Å; M260-K264 HydrophobicContact SD-CB 4.21Å; M260-K264 HydrophobicContact SD-CD 3.79Å; M260-K264 HydrophobicContact SD-CG 4.33Å; P262-K264 PolarHBondContact O-N 2.93Å
265L83.1Confident85Confident27 Ų2769 Ų6914%0.14135%0.348CS..SBendtrans-143.5147.5-177.4-64.2169.4000109.9M260 D269 K273 I292M260-L265 PolarHBondContact O-N 3.38Å; M260-L265 VanDerWaalsContact O-N 3.13Å; L265-D269 HydrophobicContact CB-CB 4.49Å; L265-D269 HydrophobicContact CD2-CB 4.45Å; L265-K273 HydrophobicContact CD1-CD 4.06Å; L265-K273 HydrophobicContact CD2-CD 4.5Å; L265-I292 HydrophobicContact CD1-CD1 3.49Å; L265-I292 VanDerWaalsContact CD1-CD1 3.49Å
266S87.5Confident84.4Confident54 Ų5471.5 Ų71.538%0.37836%0.357SS..  trans-69.4156.6166.675.90000110.3A268 D269 F270S266-A268 PolarHBondContact O-N 3.03Å; S266-D269 PolarHBondContact O-N 3.4Å; S266-D269 WeakPolarHBondContact OG-CB 3.44Å; S266-D269 PolarHBondContact OG-N 3.31Å; S266-D269 VanDerWaalsContact OG-N 3.09Å; S266-D269 PolarHBondContact OG-OD2 3.33Å; S266-F270 WeakPolarHBondContact O-CB 3.38Å; S266-F270 PolarHBondContact O-N 2.83Å
267E86.5Confident84Confident98 Ų9869.7 Ų69.746%0.45835%0.35SS..Hα-helixtrans-57.9-38.8175.9-175.4177.1-178.900111.4V261 F270 W271V261-E267 HydrophobicContact CG1-CB 4.35Å; E267-F270 PolarHBondContact O-N 2.99Å; E267-W271 PolarHBondContact O-N 2.86Å; E267-W271 VanDerWaalsContact O-N 3.11Å
268A84.5Confident83.2Confident63 Ų6369.8 Ų69.852%0.52135%0.35SS..Hα-helixtrans-62.3-47.3175.800000111.8S266 F270 W271 I272S266-A268 PolarHBondContact O-N 3.03Å; A268-F270 VanDerWaalsContact C-N 3.31Å; A268-F270 PolarHBondContact O-N 3.23Å; A268-W271 PolarHBondContact O-N 2.79Å; A268-I272 WeakPolarHBondContact O-CD1 3.35Å; A268-I272 VanDerWaalsContact O-CG1 3.24Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.34Å
269D85.9Confident82.6Confident76 Ų7660.2 Ų60.241%0.40631%0.314SS..Hα-helixtrans-65.9-35.1178.6-64.4-43.1000112.1L265 S266 K273L265-D269 HydrophobicContact CB-CB 4.49Å; L265-D269 HydrophobicContact CD2-CB 4.45Å; S266-D269 PolarHBondContact O-N 3.4Å; S266-D269 WeakPolarHBondContact OG-CB 3.44Å; S266-D269 PolarHBondContact OG-N 3.31Å; S266-D269 VanDerWaalsContact OG-N 3.09Å; S266-D269 PolarHBondContact OG-OD2 3.33Å; D269-K273 WeakPolarHBondContact O-CB 3.46Å; D269-K273 WeakPolarHBondContact O-CG 3.24Å; D269-K273 PolarHBondContact O-N 2.76Å
270F88.7Confident82Confident1 Ų155.9 Ų55.90%0.00429%0.293CS..Hα-helixtrans-60.2-49.2175.4175.1-91.1000111.1V253 H257 V261 S266 E267 A268 K273 F274 F293V253-F270 HydrophobicContact CG1-CE1 4.35Å; V253-F270 HydrophobicContact CG1-CZ 4.06Å; H257-F270 HydrophobicContact CB-CE1 4.05Å; H257-F270 HydrophobicContact CB-CE2 4.11Å; H257-F270 HydrophobicContact CB-CZ 3.68Å; H257-F270 AromaticContact CD2-CD1 3.8Å; H257-F270 AromaticContact CD2-CE1 3.81Å; V261-F270 HydrophobicContact CG2-CB 3.76Å; V261-F270 HydrophobicContact CG2-CD2 4.02Å; V261-F270 HydrophobicContact CG2-CG 3.94Å; S266-F270 WeakPolarHBondContact O-CB 3.38Å; S266-F270 PolarHBondContact O-N 2.83Å; E267-F270 PolarHBondContact O-N 2.99Å; A268-F270 VanDerWaalsContact C-N 3.31Å; A268-F270 PolarHBondContact O-N 3.23Å; F270-K273 PolarHBondContact O-N 2.9Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 3.13Å; F270-F293 HydrophobicContact CD2-CZ 4.03Å; F270-F293 HydrophobicContact CE1-CZ 4.33Å; F270-F293 AromaticContact CE2-CE1 3.72Å; F270-F293 HydrophobicContact CE2-CE1 3.72Å; F270-F293 AromaticContact CE2-CZ 3.54Å; F270-F293 HydrophobicContact CE2-CZ 3.54Å; F270-F293 AromaticContact CZ-CE1 3.66Å; F270-F293 HydrophobicContact CZ-CE1 3.66Å; F270-F293 AromaticContact CZ-CZ 3.71Å; F270-F293 HydrophobicContact CZ-CZ 3.71Å
271W87Confident81.4Confident13 Ų1356.1 Ų56.15%0.04929%0.294CS..Hα-helixtrans-69.1-37179.5-71.9116.7000112.8L238 I243 I246 F247 E267 A268 K273 F274 F275L238-W271 HydrophobicContact CD1-CB 3.85Å; L238-W271 HydrophobicContact CD1-CD2 3.83Å; L238-W271 HydrophobicContact CD1-CE3 4.29Å; L238-W271 HydrophobicContact CD1-CG 3.6Å; I243-W271 HydrophobicContact CB-CZ2 4.23Å; I243-W271 HydrophobicContact CD1-CZ2 4.45Å; I243-W271 HydrophobicContact CG1-CZ2 3.86Å; I243-W271 HydrophobicContact CG2-CH2 4.42Å; I243-W271 HydrophobicContact CG2-CZ2 3.7Å; I246-W271 HydrophobicContact CB-CH2 4.28Å; I246-W271 HydrophobicContact CD1-CH2 4.04Å; I246-W271 HydrophobicContact CD1-CZ3 3.81Å; I246-W271 HydrophobicContact CG2-CH2 3.91Å; I246-W271 HydrophobicContact CG2-CZ3 4.04Å; F247-W271 HydrophobicContact CE1-CH2 4.01Å; F247-W271 HydrophobicContact CE1-CZ2 4.01Å; F247-W271 HydrophobicContact CZ-CH2 4.31Å; F247-W271 AromaticContact CZ-CZ2 3.85Å; F247-W271 HydrophobicContact CZ-CZ2 3.85Å; E267-W271 PolarHBondContact O-N 2.86Å; E267-W271 VanDerWaalsContact O-N 3.11Å; A268-W271 PolarHBondContact O-N 2.79Å; W271-K273 VanDerWaalsContact C-N 3.33Å; W271-K273 PolarHBondContact O-N 3.37Å; W271-F274 HydrophobicContact CE3-CB 4.1Å; W271-F274 AromaticContact CE3-CD1 3.8Å; W271-F274 HydrophobicContact CE3-CD1 3.8Å; W271-F274 HydrophobicContact CE3-CE1 4.5Å; W271-F274 HydrophobicContact CE3-CG 4.05Å; W271-F274 AromaticContact CZ3-CD1 3.85Å; W271-F274 HydrophobicContact CZ3-CD1 3.85Å; W271-F274 HydrophobicContact CZ3-CE1 4.16Å; W271-F274 HydrophobicContact CZ3-CG 4.11Å; W271-F274 WeakPolarHBondContact O-CB 3.48Å; W271-F274 PolarHBondContact O-N 2.83Å; W271-F275 WeakPolarHBondContact O-CD2 3.26Å; W271-F275 PolarHBondContact O-N 2.65Å
272I83.3Confident80.3Confident83 Ų8356.5 Ų56.543%0.42629%0.293SS..Hα-helixtrans-58.2-47.8172.3-69.3165.1000110.1A268 F274 F275 Q276A268-I272 WeakPolarHBondContact O-CD1 3.35Å; A268-I272 VanDerWaalsContact O-CG1 3.24Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.34Å; I272-F274 VanDerWaalsContact C-N 3.33Å; I272-F274 PolarHBondContact O-N 2.68Å; I272-F275 PolarHBondContact O-N 3.17Å; I272-Q276 VanDerWaalsContact CG2-NE2 3.31Å; I272-Q276 WeakPolarHBondContact O-CB 3.45Å; I272-Q276 VanDerWaalsContact O-CG 3.24Å; I272-Q276 WeakPolarHBondContact O-CG 3.47Å; I272-Q276 PolarHBondContact O-N 3.08Å
273K82.8Confident79.3Confident81 Ų8156.8 Ų56.835%0.35229%0.289SS..Hα-helixtrans-64.8-35.7176.2-72.9-175.2-177.6-176.10112.4L265 D269 F270 W271 Q276 S277 I292 F293L265-K273 HydrophobicContact CD1-CD 4.06Å; L265-K273 HydrophobicContact CD2-CD 4.5Å; D269-K273 WeakPolarHBondContact O-CB 3.46Å; D269-K273 WeakPolarHBondContact O-CG 3.24Å; D269-K273 PolarHBondContact O-N 2.76Å; F270-K273 PolarHBondContact O-N 2.9Å; W271-K273 VanDerWaalsContact C-N 3.33Å; W271-K273 PolarHBondContact O-N 3.37Å; K273-Q276 CarbonylContact O-C 3.56Å; K273-Q276 PolarHBondContact O-N 3.18Å; K273-S277 VanDerWaalsContact O-CB 3.28Å; K273-S277 WeakPolarHBondContact O-CB 3.29Å; K273-S277 PolarHBondContact O-N 3.48Å; K273-I292 HydrophobicContact CD-CD1 3.58Å; K273-F293 HydrophobicContact CB-CE2 4.1Å
274F85Confident78.6Confident1 Ų156.2 Ų56.20%0.00428%0.276CS..Hα-helixtrans-61.2-48.7176.2175-100.2000111.8I246 V253 F270 W271 I272 Q276 S277 Y279 F280 F293I246-F274 HydrophobicContact CG2-CZ 4.33Å; V253-F274 HydrophobicContact CG1-CD2 4.06Å; V253-F274 HydrophobicContact CG1-CE2 3.95Å; V253-F274 HydrophobicContact CG2-CD2 4.42Å; V253-F274 HydrophobicContact CG2-CE2 3.8Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 3.13Å; W271-F274 HydrophobicContact CE3-CB 4.1Å; W271-F274 AromaticContact CE3-CD1 3.8Å; W271-F274 HydrophobicContact CE3-CD1 3.8Å; W271-F274 HydrophobicContact CE3-CE1 4.5Å; W271-F274 HydrophobicContact CE3-CG 4.05Å; W271-F274 AromaticContact CZ3-CD1 3.85Å; W271-F274 HydrophobicContact CZ3-CD1 3.85Å; W271-F274 HydrophobicContact CZ3-CE1 4.16Å; W271-F274 HydrophobicContact CZ3-CG 4.11Å; W271-F274 WeakPolarHBondContact O-CB 3.48Å; W271-F274 PolarHBondContact O-N 2.83Å; I272-F274 VanDerWaalsContact C-N 3.33Å; I272-F274 PolarHBondContact O-N 2.68Å; F274-Q276 VanDerWaalsContact C-N 3.31Å; F274-Q276 PolarHBondContact O-N 2.92Å; F274-S277 WeakPolarHBondContact O-CB 3.36Å; F274-S277 PolarHBondContact O-N 3.19Å; F274-S277 PolarHBondContact O-OG 2.88Å; F274-Y279 HydrophobicContact CD2-CD1 4.47Å; F274-Y279 AromaticContact CE2-CD1 3.67Å; F274-Y279 HydrophobicContact CE2-CD1 3.67Å; F274-Y279 HydrophobicContact CE2-CE1 4.05Å; F274-Y279 HydrophobicContact CZ-CD1 4.38Å; F274-F280 AromaticContact CE1-CD2 3.93Å; F274-F280 HydrophobicContact CE1-CD2 3.93Å; F274-F280 HydrophobicContact CZ-CD2 4.36Å; F274-F280 WeakPolarHBondContact O-CB 3.33Å; F274-F293 HydrophobicContact CB-CE2 4.08Å; F274-F293 HydrophobicContact CB-CZ 3.86Å; F274-F293 HydrophobicContact CD2-CD1 4.34Å; F274-F293 HydrophobicContact CD2-CE1 4.03Å; F274-F293 HydrophobicContact CD2-CZ 4.21Å
275F80.2Confident77.4Confident4 Ų454.9 Ų54.92%0.01828%0.281CS..Hα-helixtrans-69.1-28.4177.2-70.1-66.5000113.1I224 Y236 L238 W271 I272 F280 H281I224-F275 HydrophobicContact CD1-CE1 4.48Å; I224-F275 HydrophobicContact CD1-CZ 4.42Å; I224-F275 HydrophobicContact CG2-CE1 3.89Å; I224-F275 HydrophobicContact CG2-CZ 3.81Å; Y236-F275 HydrophobicContact CD1-CD1 4.37Å; Y236-F275 HydrophobicContact CD1-CD2 4.38Å; Y236-F275 HydrophobicContact CD1-CE1 4.27Å; Y236-F275 HydrophobicContact CD1-CE2 4.27Å; Y236-F275 HydrophobicContact CD1-CG 4.44Å; Y236-F275 HydrophobicContact CD1-CZ 4.23Å; Y236-F275 HydrophobicContact CD2-CB 4.38Å; Y236-F275 AromaticContact CD2-CD2 3.72Å; Y236-F275 HydrophobicContact CD2-CD2 3.72Å; Y236-F275 HydrophobicContact CD2-CE2 4.19Å; Y236-F275 HydrophobicContact CD2-CG 4.04Å; Y236-F275 HydrophobicContact CE1-CD1 4.05Å; Y236-F275 HydrophobicContact CE1-CE1 4.28Å; Y236-F275 HydrophobicContact CE1-CG 4.24Å; Y236-F275 HydrophobicContact CE2-CB 3.79Å; Y236-F275 HydrophobicContact CE2-CD1 4.43Å; Y236-F275 AromaticContact CE2-CD2 3.99Å; Y236-F275 HydrophobicContact CE2-CD2 3.99Å; Y236-F275 AromaticContact CE2-CG 3.82Å; Y236-F275 HydrophobicContact CE2-CG 3.82Å; Y236-F275 AromaticContact CG-CD2 3.92Å; Y236-F275 HydrophobicContact CG-CD2 3.92Å; Y236-F275 AromaticContact CG-CE2 3.92Å; Y236-F275 HydrophobicContact CG-CE2 3.92Å; Y236-F275 HydrophobicContact CG-CG 4.34Å; Y236-F275 HydrophobicContact CG-CZ 4.33Å; Y236-F275 AromaticContact CZ-CG 3.92Å; L238-F275 HydrophobicContact CD1-CE2 4.07Å; L238-F275 HydrophobicContact CD2-CE2 4.26Å; L238-F275 HydrophobicContact CD2-CZ 4Å; L238-F275 HydrophobicContact CG-CE2 4.42Å; W271-F275 WeakPolarHBondContact O-CD2 3.26Å; W271-F275 PolarHBondContact O-N 2.65Å; I272-F275 PolarHBondContact O-N 3.17Å; F275-F280 HydrophobicContact CD1-CD1 4.14Å; F275-F280 AromaticContact CD1-CD2 3.94Å; F275-F280 HydrophobicContact CD1-CD2 3.94Å; F275-F280 HydrophobicContact CD1-CE1 4.02Å; F275-F280 AromaticContact CD1-CE2 3.81Å; F275-F280 HydrophobicContact CD1-CE2 3.81Å; F275-F280 HydrophobicContact CD1-CG 4.1Å; F275-F280 AromaticContact CD1-CZ 3.85Å; F275-F280 HydrophobicContact CD1-CZ 3.85Å; F275-F280 HydrophobicContact CE1-CD2 4.14Å; F275-F280 AromaticContact CE1-CE2 3.74Å; F275-F280 HydrophobicContact CE1-CE2 3.74Å; F275-F280 HydrophobicContact CE1-CZ 4.02Å; F275-H281 PolarHBondContact O-CE1 3.41Å; F275-H281 PolarHBondContact O-ND1 3.33Å
276Q77Confident76.2Confident127 Ų12761.5 Ų61.559%0.59331%0.31SS*.Hα-helixtrans-79.1-19.1173.8-69.4173.34.100113.5I272 K273 F274I272-Q276 VanDerWaalsContact CG2-NE2 3.31Å; I272-Q276 WeakPolarHBondContact O-CB 3.45Å; I272-Q276 VanDerWaalsContact O-CG 3.24Å; I272-Q276 WeakPolarHBondContact O-CG 3.47Å; I272-Q276 PolarHBondContact O-N 3.08Å; K273-Q276 CarbonylContact O-C 3.56Å; K273-Q276 PolarHBondContact O-N 3.18Å; F274-Q276 VanDerWaalsContact C-N 3.31Å; F274-Q276 PolarHBondContact O-N 2.92Å
277S77.9Confident74.8Confident2 Ų263.7 Ų63.71%0.01432%0.318CS..SBendtrans-67.2156-173.672.40000113K273 F274 Y279 F280 H281 D291K273-S277 VanDerWaalsContact O-CB 3.28Å; K273-S277 WeakPolarHBondContact O-CB 3.29Å; K273-S277 PolarHBondContact O-N 3.48Å; F274-S277 WeakPolarHBondContact O-CB 3.36Å; F274-S277 PolarHBondContact O-N 3.19Å; F274-S277 PolarHBondContact O-OG 2.88Å; S277-Y279 PolarHBondContact O-N 2.93Å; S277-Y279 WeakPolarHBondContact OG-CB 3.2Å; S277-Y279 PolarHBondContact OG-N 2.91Å; S277-F280 PolarHBondContact O-N 3.48Å; S277-F280 PolarHBondContact OG-N 3.37Å; S277-H281 PolarHBondContact O-N 3.3Å; S277-H281 VanDerWaalsContact O-N 3.12Å; S277-D291 VanDerWaalsContact CB-OD1 3.32Å; S277-D291 WeakPolarHBondContact CB-OD1 3.34Å
278H73Confident73.6Confident40 Ų4062 Ų6219%0.18532%0.315CS..THydrogen-bonded Turntrans-62.1-22.4167.9177.7-99.1000111.3H281 R282 R284 L287 D291H278-H281 CarbonylContact O-C 3.54Å; H278-H281 VanDerWaalsContact O-C 3.29Å; H278-R282 VanDerWaalsContact O-CA 3.22Å; H278-R282 WeakPolarHBondContact O-CA 3.41Å; H278-R282 WeakPolarHBondContact O-CG 3.39Å; H278-R282 PolarHBondContact O-N 3.41Å; H278-R284 PolarHBondContact CD2-O 3.18Å; H278-L287 HydrophobicContact CB-CD1 4.27Å; H278-L287 HydrophobicContact CB-CG 4.39Å; H278-L287 VanDerWaalsContact CD2-CD1 3.48Å; H278-L287 WeakPolarHBondContact CD2-CD1 3.44Å; H278-D291 VanDerWaalsContact CB-OD2 3.31Å; H278-D291 WeakPolarHBondContact CB-OD2 3.49Å; H278-D291 PolarHBondContact N-OD2 3.28Å
279Y75.3Confident72.4Confident14 Ų1469 Ų696%0.05533%0.333CS..THydrogen-bonded Turntrans-63.9-41.7177.2-168.2-93.8000112.5Y250 V253 F274 S277 F293 C296 A297 D300Y250-Y279 HydrophobicContact CD1-CE1 4.13Å; Y250-Y279 AromaticContact CD1-CZ 3.99Å; Y250-Y279 WeakPolarHBondContact CD1-OH 3.28Å; Y250-Y279 HydrophobicContact CG-CE1 4.18Å; V253-Y279 HydrophobicContact CG2-CD1 4.07Å; V253-Y279 HydrophobicContact CG2-CE1 3.45Å; V253-Y279 VanDerWaalsContact CG2-CE1 3.45Å; F274-Y279 HydrophobicContact CD2-CD1 4.47Å; F274-Y279 AromaticContact CE2-CD1 3.67Å; F274-Y279 HydrophobicContact CE2-CD1 3.67Å; F274-Y279 HydrophobicContact CE2-CE1 4.05Å; F274-Y279 HydrophobicContact CZ-CD1 4.38Å; S277-Y279 PolarHBondContact O-N 2.93Å; S277-Y279 WeakPolarHBondContact OG-CB 3.2Å; S277-Y279 PolarHBondContact OG-N 2.91Å; Y279-F293 HydrophobicContact CG-CB 4.33Å; Y279-C296 HydrophobicContact CD2-CB 3.75Å; Y279-C296 HydrophobicContact CE2-CB 3.68Å; Y279-A297 HydrophobicContact CD2-CB 4.29Å; Y279-D300 VanDerWaalsContact CE2-OD2 3.24Å; Y279-D300 WeakPolarHBondContact CE2-OD2 3.46Å; Y279-D300 PolarHBondContact OH-OD2 3.32Å
280F74.7Confident71.5Confident25 Ų2572.5 Ų72.511%0.1135%0.353CS..THydrogen-bonded Turntrans-81.9-37.6175.3-174.3-93000112.3L221 F274 F275 S277 R376L221-F280 HydrophobicContact CB-CE2 4.25Å; L221-F280 HydrophobicContact CD1-CD2 4.44Å; L221-F280 HydrophobicContact CD1-CE2 4.46Å; L221-F280 HydrophobicContact CD2-CD2 4.24Å; L221-F280 HydrophobicContact CD2-CE2 4Å; L221-F280 HydrophobicContact CG-CE2 4.48Å; F274-F280 AromaticContact CE1-CD2 3.93Å; F274-F280 HydrophobicContact CE1-CD2 3.93Å; F274-F280 HydrophobicContact CZ-CD2 4.36Å; F274-F280 WeakPolarHBondContact O-CB 3.33Å; F275-F280 HydrophobicContact CD1-CD1 4.14Å; F275-F280 AromaticContact CD1-CD2 3.94Å; F275-F280 HydrophobicContact CD1-CD2 3.94Å; F275-F280 HydrophobicContact CD1-CE1 4.02Å; F275-F280 AromaticContact CD1-CE2 3.81Å; F275-F280 HydrophobicContact CD1-CE2 3.81Å; F275-F280 HydrophobicContact CD1-CG 4.1Å; F275-F280 AromaticContact CD1-CZ 3.85Å; F275-F280 HydrophobicContact CD1-CZ 3.85Å; F275-F280 HydrophobicContact CE1-CD2 4.14Å; F275-F280 AromaticContact CE1-CE2 3.74Å; F275-F280 HydrophobicContact CE1-CE2 3.74Å; F275-F280 HydrophobicContact CE1-CZ 4.02Å; S277-F280 PolarHBondContact O-N 3.48Å; S277-F280 PolarHBondContact OG-N 3.37Å; F280-R376 PolarHBondContact O-NH1 3.41Å; F280-R376 PolarHBondContact O-NH2 3.11Å
281H71.6Confident70.8Confident35 Ų3573.8 Ų73.816%0.16236%0.359CS..  trans-109.360.1178.7-65.1105.6000112.5F275 S277 H278 D283 R284F275-H281 PolarHBondContact O-CE1 3.41Å; F275-H281 PolarHBondContact O-ND1 3.33Å; S277-H281 PolarHBondContact O-N 3.3Å; S277-H281 VanDerWaalsContact O-N 3.12Å; H278-H281 CarbonylContact O-C 3.54Å; H278-H281 VanDerWaalsContact O-C 3.29Å; H281-D283 WeakPolarHBondContact CA-OD1 3.22Å; H281-D283 PolarHBondContact O-N 3.47Å; H281-R284 HydrophobicContact CB-CB 4.48Å; H281-R284 HydrophobicContact CB-CG 3.93Å; H281-R284 PolarHBondContact CD2-NH2 3.06Å; H281-R284 PolarHBondContact CE1-NH2 2.88Å; H281-R284 VanDerWaalsContact CE1-NH2 3.33Å; H281-R284 PolarHBondContact NE2-NH2 2.93Å; H281-R284 VanDerWaalsContact NE2-NH2 3.16Å; H281-R284 PolarHBondContact O-N 3.01Å
282R64.2Low70.2Confident32 Ų3274.6 Ų74.612%0.12136%0.364CS..THydrogen-bonded Turntrans-61.2-8-178.9-69-178.374.9159.93.1114.5H278 D301H278-R282 VanDerWaalsContact O-CA 3.22Å; H278-R282 WeakPolarHBondContact O-CA 3.41Å; H278-R282 WeakPolarHBondContact O-CG 3.39Å; H278-R282 PolarHBondContact O-N 3.41Å; R282-D301 IonicContact NH1-OD1 3.83Å; R282-D301 IonicContact NH2-OD1 3.35Å; R282-D301 PolarHBondContact NH2-OD1 3.12Å; R282-D301 IonicContact NH2-OD2 3.4Å; R282-D301 PolarHBondContact NH2-OD2 3.46Å
283D58.6Low70Confident110 Ų11070.7 Ų70.759%0.58834%0.344SS*.THydrogen-bonded Turntrans-83.6-17174.257.7-46.5000113.2H281 V285H281-D283 WeakPolarHBondContact CA-OD1 3.22Å; H281-D283 PolarHBondContact O-N 3.47Å; D283-V285 PolarHBondContact O-N 2.64Å
284R63.5Low69.7Low134 Ų13468.6 Ų68.651%0.50634%0.342SS..  trans-79110.3176-68.1-178.7-162.4-155.37.8110.1H278 H281 H286H278-R284 PolarHBondContact CD2-O 3.18Å; H281-R284 HydrophobicContact CB-CB 4.48Å; H281-R284 HydrophobicContact CB-CG 3.93Å; H281-R284 PolarHBondContact CD2-NH2 3.06Å; H281-R284 PolarHBondContact CE1-NH2 2.88Å; H281-R284 VanDerWaalsContact CE1-NH2 3.33Å; H281-R284 PolarHBondContact NE2-NH2 2.93Å; H281-R284 VanDerWaalsContact NE2-NH2 3.16Å; H281-R284 PolarHBondContact O-N 3.01Å; R284-H286 PolarHBondContact O-N 3.05Å
285V55.9Low69.4Low133 Ų13374.2 Ų74.281%0.80637%0.372SS*.SBendtrans-62.9-20175.8-171.10000112.5D283 L287D283-V285 PolarHBondContact O-N 2.64Å; V285-L287 PolarHBondContact O-N 2.94Å
286H56.5Low69.5Low165 Ų16574.2 Ų74.276%0.76437%0.373SS*.SBendtrans-90.396.8178.8-59.896.4000110.8R284 P288R284-H286 PolarHBondContact O-N 3.05Å; H286-P288 WeakPolarHBondContact O-CD 3.32Å
287L58.7Low69.5Low101 Ų10168.6 Ų68.653%0.52935%0.348SS..  trans-64.1124.4169.6-107.871.9000110.1H278 V285 K289H278-L287 HydrophobicContact CB-CD1 4.27Å; H278-L287 HydrophobicContact CB-CG 4.39Å; H278-L287 VanDerWaalsContact CD2-CD1 3.48Å; H278-L287 WeakPolarHBondContact CD2-CD1 3.44Å; V285-L287 PolarHBondContact O-N 2.94Å; L287-K289 PolarHBondContact O-N 3.18Å
288P61Low69.7Low61 Ų6170.1 Ų70.140%0.39636%0.364SS..  trans-65.5127.2166.215.2-11.4000108.8H286 N290 D291H286-P288 WeakPolarHBondContact O-CD 3.32Å; P288-N290 PolarHBondContact O-N 3.48Å; P288-D291 HydrophobicContact CG-CB 4.11Å; P288-D291 PolarHBondContact O-N 3.47Å; P288-D291 VanDerWaalsContact O-N 3.15Å
289K59.8Low70.2Confident210 Ų21072 Ų7291%0.91338%0.375SS*.THydrogen-bonded Turntrans-58.2-16.4-177.4-68.1-178.1179.61780114.3L287L287-K289 PolarHBondContact O-N 3.18Å
290N67.8Low70.5Confident151 Ų15171.4 Ų71.481%0.80737%0.372SS*.THydrogen-bonded Turntrans-113.431.8-178.3-67.7-16.3000112.8P288 I292P288-N290 PolarHBondContact O-N 3.48Å; N290-I292 PolarHBondContact O-N 3.07Å
291D72.4Confident70.7Confident27 Ų2773 Ų7314%0.14438%0.382CS..  trans-78.5114.8-179.6-164.6-7.1000112.3S277 H278 P288 F293 A294S277-D291 VanDerWaalsContact CB-OD1 3.32Å; S277-D291 WeakPolarHBondContact CB-OD1 3.34Å; H278-D291 VanDerWaalsContact CB-OD2 3.31Å; H278-D291 WeakPolarHBondContact CB-OD2 3.49Å; H278-D291 PolarHBondContact N-OD2 3.28Å; P288-D291 HydrophobicContact CG-CB 4.11Å; P288-D291 PolarHBondContact O-N 3.47Å; P288-D291 VanDerWaalsContact O-N 3.15Å; D291-F293 PolarHBondContact O-N 2.87Å; D291-F293 WeakPolarHBondContact OD1-CB 3.34Å; D291-F293 PolarHBondContact OD1-N 2.87Å; D291-A294 HydrophobicContact CB-CB 4.27Å
292I75Confident71.3Confident30 Ų3078.6 Ų78.615%0.15441%0.406CS..THydrogen-bonded Turntrans-71.9-21177.8-58.2167.1000111.3K256 M260 L265 K273 N290K256-I292 HydrophobicContact CD-CG2 4.17Å; K256-I292 HydrophobicContact CG-CG2 3.95Å; M260-I292 HydrophobicContact CE-CB 4.44Å; M260-I292 HydrophobicContact CE-CD1 4.14Å; M260-I292 HydrophobicContact CE-CG1 4.19Å; M260-I292 HydrophobicContact CE-CG2 3.4Å; M260-I292 VanDerWaalsContact CE-CG2 3.4Å; M260-I292 HydrophobicContact CG-CG2 4.38Å; L265-I292 HydrophobicContact CD1-CD1 3.49Å; L265-I292 VanDerWaalsContact CD1-CD1 3.49Å; K273-I292 HydrophobicContact CD-CD1 3.58Å; N290-I292 PolarHBondContact O-N 3.07Å
293F79.6Confident72.2Confident1 Ų180.4 Ų80.40%0.00442%0.417CS..THydrogen-bonded Turntrans-100.70.1-173.7-56.6-86000113.3V253 F270 K273 F274 Y279 D291 D295 C296 A297V253-F293 HydrophobicContact CG1-CE1 4.4Å; F270-F293 HydrophobicContact CD2-CZ 4.03Å; F270-F293 HydrophobicContact CE1-CZ 4.33Å; F270-F293 AromaticContact CE2-CE1 3.72Å; F270-F293 HydrophobicContact CE2-CE1 3.72Å; F270-F293 AromaticContact CE2-CZ 3.54Å; F270-F293 HydrophobicContact CE2-CZ 3.54Å; F270-F293 AromaticContact CZ-CE1 3.66Å; F270-F293 HydrophobicContact CZ-CE1 3.66Å; F270-F293 AromaticContact CZ-CZ 3.71Å; F270-F293 HydrophobicContact CZ-CZ 3.71Å; K273-F293 HydrophobicContact CB-CE2 4.1Å; F274-F293 HydrophobicContact CB-CE2 4.08Å; F274-F293 HydrophobicContact CB-CZ 3.86Å; F274-F293 HydrophobicContact CD2-CD1 4.34Å; F274-F293 HydrophobicContact CD2-CE1 4.03Å; F274-F293 HydrophobicContact CD2-CZ 4.21Å; Y279-F293 HydrophobicContact CG-CB 4.33Å; D291-F293 PolarHBondContact O-N 2.87Å; D291-F293 WeakPolarHBondContact OD1-CB 3.34Å; D291-F293 PolarHBondContact OD1-N 2.87Å; F293-D295 PolarHBondContact O-N 3.44Å; F293-C296 VanDerWaalsContact O-CB 3.29Å; F293-C296 WeakPolarHBondContact O-CB 3.5Å; F293-C296 PolarHBondContact O-N 3.38Å; F293-A297 PolarHBondContact O-N 2.76Å
294A76.2Confident73.3Confident37 Ų3776.7 Ų76.731%0.30640%0.398SS..Hα-helixtrans-56.9-40.7177.100000111.8D291 C296 A297D291-A294 HydrophobicContact CB-CB 4.27Å; A294-C296 VanDerWaalsContact C-N 3.3Å; A294-C296 PolarHBondContact O-N 3.26Å; A294-A297 PolarHBondContact O-N 2.99Å
295D79.1Confident74.2Confident119 Ų11973.6 Ų73.664%0.63639%0.391SS*.Hα-helixtrans-65.4-32.9176.9-65.2-19.5000112.4F293 A297 G298 I299F293-D295 PolarHBondContact O-N 3.44Å; D295-A297 VanDerWaalsContact C-N 3.31Å; D295-A297 PolarHBondContact O-N 3.49Å; D295-G298 PolarHBondContact O-N 3.41Å; D295-I299 VanDerWaalsContact O-CG1 3.27Å; D295-I299 WeakPolarHBondContact O-CG1 3.39Å; D295-I299 PolarHBondContact O-N 2.97Å
296C82.3Confident75.5Confident5 Ų568.7 Ų68.73%0.03436%0.362CS..Hα-helixtrans-62.5-40.1-178.9-61.90000111.1Y279 F293 A294 G298 I299 D300Y279-C296 HydrophobicContact CD2-CB 3.75Å; Y279-C296 HydrophobicContact CE2-CB 3.68Å; F293-C296 VanDerWaalsContact O-CB 3.29Å; F293-C296 WeakPolarHBondContact O-CB 3.5Å; F293-C296 PolarHBondContact O-N 3.38Å; A294-C296 VanDerWaalsContact C-N 3.3Å; A294-C296 PolarHBondContact O-N 3.26Å; C296-G298 VanDerWaalsContact C-N 3.35Å; C296-G298 PolarHBondContact O-N 2.88Å; C296-I299 PolarHBondContact O-N 3.48Å; C296-D300 WeakPolarHBondContact O-CB 3.26Å; C296-D300 VanDerWaalsContact O-CG 3.3Å; C296-D300 PolarHBondContact O-N 3.25Å
297A77.7Confident76.4Confident9 Ų962.8 Ų62.87%0.07434%0.336CS..Hα-helixtrans-62.8-41.8176.900000111.9Y279 F293 A294 D295 D301Y279-A297 HydrophobicContact CD2-CB 4.29Å; F293-A297 PolarHBondContact O-N 2.76Å; A294-A297 PolarHBondContact O-N 2.99Å; D295-A297 VanDerWaalsContact C-N 3.31Å; D295-A297 PolarHBondContact O-N 3.49Å; A297-D301 WeakPolarHBondContact O-CB 3.28Å; A297-D301 VanDerWaalsContact O-CG 3.3Å; A297-D301 PolarHBondContact O-N 2.95Å
298G80.6Confident77.3Confident34 Ų3461.2 Ų61.235%0.35133%0.328SS..Hα-helixtrans-68.1-36.417700000113.1D295 C296 K302D295-G298 PolarHBondContact O-N 3.41Å; C296-G298 VanDerWaalsContact C-N 3.35Å; C296-G298 PolarHBondContact O-N 2.88Å; G298-K302 WeakPolarHBondContact O-CB 2.99Å; G298-K302 VanDerWaalsContact O-CG 3.27Å; G298-K302 WeakPolarHBondContact O-CG 3.24Å; G298-K302 PolarHBondContact O-N 3.38Å
299I83.3Confident78Confident79 Ų7966.1 Ų66.141%0.40534%0.338SS..Hα-helixtrans-67.4-46.6175.9-65.9162.7000110.5T252 D295 C296 D301 K302 L303T252-I299 HydrophobicContact CG2-CB 4.08Å; T252-I299 HydrophobicContact CG2-CG2 3.6Å; D295-I299 VanDerWaalsContact O-CG1 3.27Å; D295-I299 WeakPolarHBondContact O-CG1 3.39Å; D295-I299 PolarHBondContact O-N 2.97Å; C296-I299 PolarHBondContact O-N 3.48Å; I299-D301 VanDerWaalsContact C-N 3.33Å; I299-D301 PolarHBondContact O-N 2.92Å; I299-K302 WeakPolarHBondContact O-CB 3.42Å; I299-K302 PolarHBondContact O-N 3.49Å; I299-L303 HydrophobicContact CG2-CD1 4Å; I299-L303 HydrophobicContact CG2-CG 4.41Å; I299-L303 WeakPolarHBondContact O-CG 3.35Å; I299-L303 PolarHBondContact O-N 3.29Å
300D81.5Confident78.6Confident2 Ų262.1 Ų62.11%0.01132%0.321CS..Hα-helixtrans-61.1-42.6178.2-71.8-12.6000111.3T252 Y279 C296 K302 L303 L304T252-D300 WeakPolarHBondContact CG2-OD1 3.36Å; T252-D300 PolarHBondContact OG1-OD1 3.5Å; T252-D300 PolarHBondContact OG1-OD2 2.89Å; Y279-D300 VanDerWaalsContact CE2-OD2 3.24Å; Y279-D300 WeakPolarHBondContact CE2-OD2 3.46Å; Y279-D300 PolarHBondContact OH-OD2 3.32Å; C296-D300 WeakPolarHBondContact O-CB 3.26Å; C296-D300 VanDerWaalsContact O-CG 3.3Å; C296-D300 PolarHBondContact O-N 3.25Å; D300-K302 PolarHBondContact O-N 3.16Å; D300-L303 WeakPolarHBondContact O-CB 3.43Å; D300-L303 PolarHBondContact O-N 2.88Å; D300-L304 WeakPolarHBondContact O-CB 3.43Å; D300-L304 PolarHBondContact O-N 3.46Å
301D79.7Confident78.5Confident58 Ų5856.2 Ų56.231%0.3129%0.291SS..Hα-helixtrans-64.8-38.5176.9-73.5-7.5000111.4R282 A297 I299 L304 L305R282-D301 IonicContact NH1-OD1 3.83Å; R282-D301 IonicContact NH2-OD1 3.35Å; R282-D301 PolarHBondContact NH2-OD1 3.12Å; R282-D301 IonicContact NH2-OD2 3.4Å; R282-D301 PolarHBondContact NH2-OD2 3.46Å; A297-D301 WeakPolarHBondContact O-CB 3.28Å; A297-D301 VanDerWaalsContact O-CG 3.3Å; A297-D301 PolarHBondContact O-N 2.95Å; I299-D301 VanDerWaalsContact C-N 3.33Å; I299-D301 PolarHBondContact O-N 2.92Å; D301-L304 PolarHBondContact O-N 3.1Å; D301-L305 WeakPolarHBondContact O-CB 3.48Å; D301-L305 WeakPolarHBondContact O-CD1 3.43Å; D301-L305 WeakPolarHBondContact O-CG 3.42Å; D301-L305 PolarHBondContact O-N 3.39Å
302K84.6Confident78Confident152 Ų15263.1 Ų63.166%0.66132%0.316SS*.Hα-helixtrans-64.8-42173-75.9173.4-176.2179.60112.1G298 I299 D300 L305 S306G298-K302 WeakPolarHBondContact O-CB 2.99Å; G298-K302 VanDerWaalsContact O-CG 3.27Å; G298-K302 WeakPolarHBondContact O-CG 3.24Å; G298-K302 PolarHBondContact O-N 3.38Å; I299-K302 WeakPolarHBondContact O-CB 3.42Å; I299-K302 PolarHBondContact O-N 3.49Å; D300-K302 PolarHBondContact O-N 3.16Å; K302-L305 PolarHBondContact O-N 3.38Å; K302-S306 WeakPolarHBondContact O-CB 3.13Å; K302-S306 PolarHBondContact O-N 2.95Å
303L82.7Confident77.2Confident70 Ų7066.7 Ų66.737%0.36634%0.338SS..Hα-helixtrans-62.1-46.4175.7-77.9169.7000110.4I299 D300 L305 S306 D307I299-L303 HydrophobicContact CG2-CD1 4Å; I299-L303 HydrophobicContact CG2-CG 4.41Å; I299-L303 WeakPolarHBondContact O-CG 3.35Å; I299-L303 PolarHBondContact O-N 3.29Å; D300-L303 WeakPolarHBondContact O-CB 3.43Å; D300-L303 PolarHBondContact O-N 2.88Å; L303-L305 PolarHBondContact O-N 3Å; L303-S306 CarbonylContact O-C 3.48Å; L303-S306 WeakPolarHBondContact O-CB 3.45Å; L303-S306 PolarHBondContact O-N 3.38Å; L303-S306 VanDerWaalsContact O-N 3.12Å; L303-S306 PolarHBondContact O-OG 3.09Å; L303-D307 VanDerWaalsContact O-CG 3.3Å; L303-D307 PolarHBondContact O-N 3.38Å
304L81.9Confident76.1Confident33 Ų3372.1 Ų72.117%0.17337%0.367CS..Hα-helixtrans-57.7-47.8175.317865.1000111.6D300 D301 S306 D307 I308 N379 I382D300-L304 WeakPolarHBondContact O-CB 3.43Å; D300-L304 PolarHBondContact O-N 3.46Å; D301-L304 PolarHBondContact O-N 3.1Å; L304-S306 VanDerWaalsContact C-N 3.3Å; L304-S306 PolarHBondContact O-N 3.11Å; L304-D307 PolarHBondContact O-N 3.12Å; L304-I308 HydrophobicContact CD1-CD1 4.11Å; L304-I308 HydrophobicContact CD1-CG1 4.34Å; L304-I308 HydrophobicContact CG-CD1 3.88Å; L304-I308 WeakPolarHBondContact O-CB 3.34Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.28Å; L304-I308 PolarHBondContact O-N 3.41Å; L304-N379 HydrophobicContact CD2-CB 4.25Å; L304-I382 HydrophobicContact CD1-CD1 3.49Å; L304-I382 VanDerWaalsContact CD1-CD1 3.49Å
305L82.7Confident74.9Confident69 Ų6976.5 Ų76.536%0.36138%0.376SS..Hα-helixtrans-59.3-41.4175.2-81.6154.3000111.9D301 K302 L303 I308 R309D301-L305 WeakPolarHBondContact O-CB 3.48Å; D301-L305 WeakPolarHBondContact O-CD1 3.43Å; D301-L305 WeakPolarHBondContact O-CG 3.42Å; D301-L305 PolarHBondContact O-N 3.39Å; K302-L305 PolarHBondContact O-N 3.38Å; L303-L305 PolarHBondContact O-N 3Å; L305-I308 PolarHBondContact O-N 3.33Å; L305-R309 WeakPolarHBondContact O-CG 3.02Å; L305-R309 PolarHBondContact O-N 3.4Å
306S82.1Confident73.5Confident30 Ų3076.3 Ų76.321%0.2138%0.375CS..Hα-helixtrans-65.2-39.6176.684.70000112.1K302 L303 L304 R309 K310K302-S306 WeakPolarHBondContact O-CB 3.13Å; K302-S306 PolarHBondContact O-N 2.95Å; L303-S306 CarbonylContact O-C 3.48Å; L303-S306 WeakPolarHBondContact O-CB 3.45Å; L303-S306 PolarHBondContact O-N 3.38Å; L303-S306 VanDerWaalsContact O-N 3.12Å; L303-S306 PolarHBondContact O-OG 3.09Å; L304-S306 VanDerWaalsContact C-N 3.3Å; L304-S306 PolarHBondContact O-N 3.11Å; S306-R309 PolarHBondContact O-N 2.77Å; S306-K310 VanDerWaalsContact O-CG 3.27Å; S306-K310 WeakPolarHBondContact O-CG 3.35Å; S306-K310 PolarHBondContact O-N 3.29Å
307D75.9Confident72.2Confident41 Ų4179.6 Ų79.622%0.21939%0.392CS..Hα-helixtrans-71.1-38.7178.4-71.4-22000111.4L303 L304 R309 K310 S311 K386L303-D307 VanDerWaalsContact O-CG 3.3Å; L303-D307 PolarHBondContact O-N 3.38Å; L304-D307 PolarHBondContact O-N 3.12Å; D307-R309 VanDerWaalsContact C-N 3.35Å; D307-K310 PolarHBondContact O-N 3.08Å; D307-S311 VanDerWaalsContact O-CB 3.26Å; D307-S311 WeakPolarHBondContact O-CB 3.47Å; D307-S311 PolarHBondContact O-N 3.01Å; D307-S311 PolarHBondContact O-OG 3.22Å; D307-K386 IonicContact OD1-NZ 3.01Å; D307-K386 IonicContact OD2-NZ 3.59Å; D307-K386 PolarHBondContact OD2-NZ 3.25Å
308I76.8Confident71.1Confident68 Ų6887.9 Ų87.935%0.34943%0.427SS..Hα-helixtrans-60.1-47.2172.4-69.8165.6000109.5L304 L305 S311 R312L304-I308 HydrophobicContact CD1-CD1 4.11Å; L304-I308 HydrophobicContact CD1-CG1 4.34Å; L304-I308 HydrophobicContact CG-CD1 3.88Å; L304-I308 WeakPolarHBondContact O-CB 3.34Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.28Å; L304-I308 PolarHBondContact O-N 3.41Å; L305-I308 PolarHBondContact O-N 3.33Å; I308-S311 PolarHBondContact O-N 2.9Å; I308-S311 PolarHBondContact O-OG 3.44Å; I308-R312 WeakPolarHBondContact O-CG 3.48Å; I308-R312 PolarHBondContact O-N 3.5Å
309R75.6Confident70.1Confident163 Ų16392.9 Ų92.962%0.61544%0.441SS*.Hα-helixtrans-60-47.5176.2-72.6-179.9-166.8123.8-3112L305 S306 D307 S311 R312 V313L305-R309 WeakPolarHBondContact O-CG 3.02Å; L305-R309 PolarHBondContact O-N 3.4Å; S306-R309 PolarHBondContact O-N 2.77Å; D307-R309 VanDerWaalsContact C-N 3.35Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 2.86Å; R309-R312 PolarHBondContact O-N 2.92Å; R309-V313 WeakPolarHBondContact O-CG2 3.45Å; R309-V313 PolarHBondContact O-N 3.09Å
310K73Confident69Low127 Ų12792.9 Ų92.955%0.55244%0.441SS*.Hα-helixtrans-60.6-39.3175.5-71.3169-174.6170.70111.8S306 D307 R312 V313 N314S306-K310 VanDerWaalsContact O-CG 3.27Å; S306-K310 WeakPolarHBondContact O-CG 3.35Å; S306-K310 PolarHBondContact O-N 3.29Å; D307-K310 PolarHBondContact O-N 3.08Å; K310-R312 VanDerWaalsContact C-N 3.35Å; K310-V313 PolarHBondContact O-N 2.99Å; K310-N314 PolarHBondContact O-N 3.3Å
311S65.8Low68.2Low26 Ų2695.2 Ų95.218%0.18245%0.454CS..Hα-helixtrans-66.8-35.7177.881.80000111.9D307 I308 R309 V313 N314 R315D307-S311 VanDerWaalsContact O-CB 3.26Å; D307-S311 WeakPolarHBondContact O-CB 3.47Å; D307-S311 PolarHBondContact O-N 3.01Å; D307-S311 PolarHBondContact O-OG 3.22Å; I308-S311 PolarHBondContact O-N 2.9Å; I308-S311 PolarHBondContact O-OG 3.44Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 2.86Å; S311-V313 VanDerWaalsContact C-N 3.3Å; S311-V313 PolarHBondContact O-N 3.16Å; S311-N314 CarbonylContact O-C 3.59Å; S311-N314 PolarHBondContact O-N 3.11Å; S311-R315 WeakPolarHBondContact O-CB 3.2Å; S311-R315 WeakPolarHBondContact O-CG 3.35Å; S311-R315 PolarHBondContact O-N 3.44Å
312R62.4Low67.5Low173 Ų17398.8 Ų98.865%0.65347%0.472SS*.Hα-helixtrans-64.7-35.9173.7-71.8-175.1-173-155.80.7111.9I308 R309 K310I308-R312 WeakPolarHBondContact O-CG 3.48Å; I308-R312 PolarHBondContact O-N 3.5Å; R309-R312 PolarHBondContact O-N 2.92Å; K310-R312 VanDerWaalsContact C-N 3.35Å
313V58.7Low66.6Low104 Ų10495.3 Ų95.363%0.6347%0.465SS*.Hα-helixtrans-71-34.5174.6179.80000111.7R309 K310 S311R309-V313 WeakPolarHBondContact O-CG2 3.45Å; R309-V313 PolarHBondContact O-N 3.09Å; K310-V313 PolarHBondContact O-N 2.99Å; S311-V313 VanDerWaalsContact C-N 3.3Å; S311-V313 PolarHBondContact O-N 3.16Å
314N55.6Low65.7Low115 Ų11598 Ų9862%0.61548%0.48SS*.Hα-helixtrans-89.4-8.3-179.4-79.7-6.6000114.8K310 S311 L408K310-N314 PolarHBondContact O-N 3.3Å; S311-N314 CarbonylContact O-C 3.59Å; S311-N314 PolarHBondContact O-N 3.11Å; N314-L408 WeakPolarHBondContact O-CD1 3.47Å
315R51.5Low64.8Low130 Ų130100.6 Ų100.649%0.49149%0.494SS..  trans-110.156.9-175.4-70.9176.3-176.9174.33.7112.2S311 N317S311-R315 WeakPolarHBondContact O-CB 3.2Å; S311-R315 WeakPolarHBondContact O-CG 3.35Å; S311-R315 PolarHBondContact O-N 3.44Å; R315-N317 PolarHBondContact O-N 2.94Å
316N50.2Low63.9Low114 Ų114102.2 Ų102.261%0.6151%0.506SS*.  trans-71.633.6152-74.88000111.6F318 L408N316-F318 VanDerWaalsContact C-N 3.32Å; N316-F318 PolarHBondContact O-N 3.35Å; N316-F318 VanDerWaalsContact O-N 3.13Å; N316-L408 HydrophobicContact CB-CD2 3.83Å; N316-L408 HydrophobicContact CB-CG 4.2Å
317N53.6Low62.7Low74 Ų74107.9 Ų107.940%0.39653%0.534SS..  trans-77.692.6159.9-74.9-24.5000105.7R315 H319 L320R315-N317 PolarHBondContact O-N 2.94Å; N317-H319 PolarHBondContact O-N 2.88Å; N317-L320 HydrophobicContact CB-CB 4.43Å; N317-L320 HydrophobicContact CB-CD1 4.06Å; N317-L320 PolarHBondContact O-N 3.02Å
318F54.9Low61.8Low184 Ų184115.3 Ų115.381%0.80756%0.561SS**THydrogen-bonded Turntrans-42.5-25.3-176.9-165.2-94.9000114.8N316N316-F318 VanDerWaalsContact C-N 3.32Å; N316-F318 PolarHBondContact O-N 3.35Å; N316-F318 VanDerWaalsContact O-N 3.13Å
319H58.9Low60.6Low139 Ų139120.3 Ų120.364%0.64459%0.588SS**THydrogen-bonded Turntrans-91.4-11.9-179.2-169.1-75.1000115.7N317N317-H319 PolarHBondContact O-N 2.88Å
320L60.8Low59.5Low79 Ų79120.1 Ų120.141%0.41460%0.597SS.*SBendtrans-106.13.8-178.4-85.9115.4000113.6N317 L322N317-L320 HydrophobicContact CB-CB 4.43Å; N317-L320 HydrophobicContact CB-CD1 4.06Å; N317-L320 PolarHBondContact O-N 3.02Å; L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.82Å; L320-L322 VanDerWaalsContact O-N 3.15Å
321D64.2Low58.6Low50 Ų50116.9 Ų116.927%0.26760%0.601SS.*  trans-89.271.6178.3-161.15000110.2P323 N324 L325D321-P323 VanDerWaalsContact C-N 3.26Å; D321-P323 VanDerWaalsContact O-N 3.13Å; D321-P323 VanDerWaalsContact OD1-CD 3.29Å; D321-P323 WeakPolarHBondContact OD1-CD 3.45Å; D321-P323 VanDerWaalsContact OD1-CG 3.23Å; D321-P323 WeakPolarHBondContact OD1-CG 3.46Å; D321-N324 HydrophobicContact CB-CB 4.22Å; D321-N324 CarbonylContact O-C 3.56Å; D321-N324 WeakPolarHBondContact O-CA 3.46Å; D321-N324 PolarHBondContact O-N 3.1Å; D321-N324 WeakPolarHBondContact OD2-CB 3.36Å; D321-N324 PolarHBondContact OD2-ND2 3.22Å; D321-L325 PolarHBondContact O-N 2.8Å
322L65.8Low58.1Low133 Ų133123.8 Ų123.870%0.69663%0.63SS**G310 helixtrans-41.8-45.1177.8-90.670.9000114.4L320 N324 L325L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.82Å; L320-L322 VanDerWaalsContact O-N 3.15Å; L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 2.96Å; L322-L325 PolarHBondContact O-N 3.2Å
323P65.7Low57.4Low80 Ų80117.9 Ų117.952%0.51962%0.622SS.*G310 helixtrans-70.3-20.2179.825.7-33.2000114.2D321D321-P323 VanDerWaalsContact C-N 3.26Å; D321-P323 VanDerWaalsContact O-N 3.13Å; D321-P323 VanDerWaalsContact OD1-CD 3.29Å; D321-P323 WeakPolarHBondContact OD1-CD 3.45Å; D321-P323 VanDerWaalsContact OD1-CG 3.23Å; D321-P323 WeakPolarHBondContact OD1-CG 3.46Å
324N64.6Low57Low125 Ų125124 Ų12467%0.66864%0.636SS**G310 helixtrans-104.92.5176-69.7-24.9000112.8D321 L322 T326D321-N324 HydrophobicContact CB-CB 4.22Å; D321-N324 CarbonylContact O-C 3.56Å; D321-N324 WeakPolarHBondContact O-CA 3.46Å; D321-N324 PolarHBondContact O-N 3.1Å; D321-N324 WeakPolarHBondContact OD2-CB 3.36Å; D321-N324 PolarHBondContact OD2-ND2 3.22Å; L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 2.96Å; N324-T326 VanDerWaalsContact C-N 3.25Å; N324-T326 PolarHBondContact O-N 3.32Å
325L63Low57.1Low89 Ų89122.5 Ų122.547%0.46665%0.647SS.*  trans-85.45.2179.6-14092.1000113D321 L322 D327D321-L325 PolarHBondContact O-N 2.8Å; L322-L325 PolarHBondContact O-N 3.2Å; L325-D327 PolarHBondContact O-N 2.97Å
326T62.4Low57.4Low103 Ų103120.9 Ų120.963%0.63265%0.652SS**  trans-84.4108.5-176.254.80000110.1N324 Y328N324-T326 VanDerWaalsContact C-N 3.25Å; N324-T326 PolarHBondContact O-N 3.32Å; T326-Y328 PolarHBondContact O-N 3.18Å; T326-Y328 VanDerWaalsContact O-N 3.17Å
327D57.9Low57.3Low148 Ų148121.3 Ų121.379%0.79165%0.654SS**  trans-67.8104.5166.8-85.8-28.5000109.2L325L325-D327 PolarHBondContact O-N 2.97Å
328Y56Low57Low198 Ų198125.3 Ų125.378%0.77667%0.671SS**SBendtrans65.4131.8165.8-64.5-91.4000118.4T326 I330T326-Y328 PolarHBondContact O-N 3.18Å; T326-Y328 VanDerWaalsContact O-N 3.17Å; Y328-I330 PolarHBondContact O-N 3.21Å
329D52.4Low56.4Low173 Ų173124.5 Ų124.593%0.92567%0.673SS**  trans-64.952.1175.7-70-51.9000115G331D329-G331 PolarHBondContact O-N 3.11Å; D329-G331 VanDerWaalsContact O-N 3.15Å
330I52.7Low55.5Low158 Ų158123.2 Ų123.281%0.8168%0.677SS**  trans-88.368166.4-51.3178.6000108.8Y328Y328-I330 PolarHBondContact O-N 3.21Å
331G53.2Low54.4Low60 Ų60122.3 Ų122.362%0.61969%0.686SS**  trans67137163.500000116.8D329 G333D329-G331 PolarHBondContact O-N 3.11Å; D329-G331 VanDerWaalsContact O-N 3.15Å; G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 3.17Å
332Q55.9Low53Low171 Ų171125.4 Ų125.480%0.79971%0.709SS**SBendtrans-56.597.7153.1-73.8167400107.2
333G48.5Very low51.4Low48 Ų48125 Ų12550%0.49571%0.713SS.*  trans-170.432.6-161.300000118.9G331G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 3.17Å
334Y49.8Very low50.2Low234 Ų234130.8 Ų130.892%0.91873%0.73SS**SBendtrans-161.3108.9148.8-146.3-104.5000109.7
335G58Low48.6Very low82 Ų82133.9 Ų133.985%0.84574%0.74SS**SBendtrans86.4-5176.600000117.2
336T57.6Low47.4Very low96 Ų96139 Ų13959%0.58976%0.759SS**  trans-103.4-2174.844.80000114.3Q338T336-Q338 PolarHBondContact O-N 3.16Å
337D47.6Very low46.1Very low124 Ų124139.4 Ų139.466%0.66377%0.765SS**  trans-60.3112.5174.4-76.7-29000108.9I339D337-I339 PolarHBondContact O-N 3.38Å; D337-I339 VanDerWaalsContact O-N 3.16Å
338Q47.7Very low44.9Very low158 Ų158136.6 Ų136.674%0.73876%0.763SS**  trans-43.2121.2173.8-54.5-179.126.300107.9T336 P340T336-Q338 PolarHBondContact O-N 3.16Å; Q338-P340 VanDerWaalsContact C-N 3.32Å; Q338-P340 WeakPolarHBondContact O-CD 3.37Å; Q338-P340 WeakPolarHBondContact O-CG 3.06Å
339I42.7Very low43.9Very low166 Ų166134.5 Ų134.585%0.85177%0.765SS**  trans-55.7105.2155.3-62.1169000104.1D337 G341D337-I339 PolarHBondContact O-N 3.38Å; D337-I339 VanDerWaalsContact O-N 3.16Å; I339-G341 PolarHBondContact O-N 2.88Å
340P40.1Very low43.1Very low112 Ų112131.2 Ų131.273%0.72776%0.756SS**  trans-75.5102.6179.7-0.920.7000104Q338Q338-P340 VanDerWaalsContact C-N 3.32Å; Q338-P340 WeakPolarHBondContact O-CD 3.37Å; Q338-P340 WeakPolarHBondContact O-CG 3.06Å
341G37.3Very low42.1Very low60 Ų60130 Ų13062%0.61975%0.751SS**  trans-52.2136.116600000108.3I339I339-G341 PolarHBondContact O-N 2.88Å
342P34.9Very low41.2Very low115 Ų115134.9 Ų134.975%0.74776%0.758SS**SBendtrans-69.8145.1-170.131.3-34.6000109.9
343T32.4Very low40Very low125 Ų125132.5 Ų132.577%0.76776%0.76SS**  trans86.4104.416174.10000118.5
344K38.9Very low39.2Very low201 Ų201134.6 Ų134.687%0.87477%0.772SS**  -178.911395.3-93.8172.3-176.9175.60110.8
345Q32.7Very low38.1Very low191 Ų191129.8 Ų129.889%0.89376%0.763SS**  trans-52.8136.3159.6-67.1165.9-45.800109.9
346K37Very low36.7Very low197 Ų197132.8 Ų132.886%0.85776%0.759SS**  trans-167.3100.1143.3-106.6168.5-174-168.40110.9
347S35.9Very low35.4Very low110 Ų110133.5 Ų133.577%0.76976%0.763SS**  trans42.8110.5138.554.80000118.9
348A31.6Very low34.7Very low90 Ų90136.5 Ų136.574%0.74478%0.778SS**  trans-60.9134153.900000110.7
349D36.1Very low33.8Very low154 Ų154134.4 Ų134.482%0.82477%0.772SS**  trans-176.1142.2131.1-90.4-21.3000110.8
350S34.9Very low33.2Very low104 Ų104135 Ų13573%0.72777%0.772SS**  trans78.2104.8162.164.50000120.9
351D31.8Very low32.9Very low131 Ų131135 Ų13570%0.70178%0.775SS**  73.6111.6119.6-70.1-43.9000123.1
352Q34.6Very low33.3Very low164 Ų164138.1 Ų138.177%0.76678%0.781SS**  58.8129.3123.5-64.4178.657.300121.1
353S30.7Very low34.1Very low120 Ų120138.6 Ų138.684%0.83978%0.776SS**  trans105.2144.3144.677.70000118.6
354A31.5Very low34.7Very low92 Ų92136.1 Ų136.176%0.7676%0.762SS**  trans80.994.517000000116
355D27Very low35.4Very low134 Ų134131.8 Ų131.872%0.71776%0.757SS**  75.9110.872-156.714.5000112.4
356N27.8Very low36.6Very low145 Ų145129.5 Ų129.578%0.77575%0.751SS**  trans40.994.2156-71.1-40.7000118.9
357T31Very low38Very low110 Ų110122.2 Ų122.268%0.67572%0.721SS**  trans-155.394.2149.5-3.60000111.9N359T357-N359 HydrophobicContact CG2-CB 3.92Å; T357-N359 VanDerWaalsContact CG2-ND2 3.32Å; T357-N359 WeakPolarHBondContact CG2-ND2 3.29Å; T357-N359 PolarHBondContact O-N 2.91Å
358L31.6Very low40.1Very low187 Ų187120 Ų12098%0.97971%0.706SS**  trans-72.163.2160.8-76.4167.1000109.2
359N30.1Very low42.2Very low114 Ų114119.4 Ų119.461%0.6170%0.701SS**  trans-120.6117.8-179.5-81.7-4.5000110.6T357T357-N359 HydrophobicContact CG2-CB 3.92Å; T357-N359 VanDerWaalsContact CG2-ND2 3.32Å; T357-N359 WeakPolarHBondContact CG2-ND2 3.29Å; T357-N359 PolarHBondContact O-N 2.91Å
360E29.3Very low44.2Very low179 Ų179117.5 Ų117.584%0.83669%0.691SS**SBend66.674126.5-157164.7-156.100117.8
361S33.4Very low46.3Very low113 Ų113117.3 Ų117.379%0.7968%0.678SS**  trans177.789.9141.947.10000112.6
362V46.1Very low48.5Very low125 Ų125114.5 Ų114.576%0.75866%0.663SS**  trans-113.242.5172-163.60000111.1
363I51.4Low50.6Low124 Ų124111.7 Ų111.764%0.63665%0.653SS**  trans-116.496.5161.9-53.2176.4000105.7S365I363-S365 PolarHBondContact O-N 3.42Å
364P46.1Very low53Low73 Ų73111.1 Ų111.147%0.47464%0.64SS.*  trans-62.2121.1170.5-4.917.1000106.9N366 L367P364-N366 PolarHBondContact O-N 2.86Å; P364-L367 HydrophobicContact CB-CD1 3.89Å; P364-L367 HydrophobicContact CG-CD1 3.69Å; P364-L367 WeakPolarHBondContact O-CD1 3.3Å
365S54.1Low55.3Low111 Ų111112.3 Ų112.378%0.77662%0.624SS**THydrogen-bonded Turntrans-650.717854.10000113.8I363I363-S365 PolarHBondContact O-N 3.42Å
366N56.6Low57.6Low142 Ų142108.9 Ų108.976%0.75960%0.601SS**THydrogen-bonded Turntrans-123.241.3-172.4-59.5-25.3000112.4P364P364-N366 PolarHBondContact O-N 2.86Å
367L67.2Low60.2Low45 Ų45107.8 Ų107.824%0.23659%0.59CS.*  trans-71.6130.1171.8-94.182000110.6P364 Q371 R375P364-L367 HydrophobicContact CB-CD1 3.89Å; P364-L367 HydrophobicContact CG-CD1 3.69Å; P364-L367 WeakPolarHBondContact O-CD1 3.3Å; L367-Q371 HydrophobicContact CB-CB 4.23Å; L367-Q371 HydrophobicContact CD2-CB 3.83Å; L367-Q371 HydrophobicContact CG-CB 4.03Å; L367-R375 HydrophobicContact CD2-CG 4.35Å
368S78.5Confident62.8Low64 Ų64106.9 Ų106.945%0.44858%0.581SS.*  trans-62.1151.4169.2173.10000110.6N370 Q371 L372S368-N370 PolarHBondContact O-N 3.05Å; S368-N370 VanDerWaalsContact O-N 3.11Å; S368-Q371 VanDerWaalsContact N-OE1 3.12Å; S368-Q371 WeakPolarHBondContact O-CA 3.48Å; S368-Q371 WeakPolarHBondContact O-CB 3.45Å; S368-Q371 PolarHBondContact O-N 3.41Å; S368-L372 PolarHBondContact O-N 3.36Å
369A76.2Confident65.2Low77 Ų7798.4 Ų98.464%0.63654%0.537SS*.Hα-helixtrans-50.7-38.7178.200000112.5Q371 L372 L373A369-Q371 PolarHBondContact O-N 3.38Å; A369-L372 PolarHBondContact O-N 3.02Å; A369-L373 PolarHBondContact O-N 3.37Å
370N78.5Confident67.8Low114 Ų11494.2 Ų94.261%0.6151%0.513SS*.Hα-helixtrans-64.8-38.4176.2-67.5-19.4000112.5S368 L373 L374S368-N370 PolarHBondContact O-N 3.05Å; S368-N370 VanDerWaalsContact O-N 3.11Å; N370-L373 PolarHBondContact O-N 3.43Å; N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.12Å
371Q79.4Confident70.4Confident99 Ų9987.2 Ų87.246%0.46348%0.484SS..Hα-helixtrans-69.9-36.6177.9-66.2174.2-20.800111.4L367 S368 A369 L374 R375L367-Q371 HydrophobicContact CB-CB 4.23Å; L367-Q371 HydrophobicContact CD2-CB 3.83Å; L367-Q371 HydrophobicContact CG-CB 4.03Å; S368-Q371 VanDerWaalsContact N-OE1 3.12Å; S368-Q371 WeakPolarHBondContact O-CA 3.48Å; S368-Q371 WeakPolarHBondContact O-CB 3.45Å; S368-Q371 PolarHBondContact O-N 3.41Å; A369-Q371 PolarHBondContact O-N 3.38Å; Q371-L374 PolarHBondContact O-N 3.39Å; Q371-R375 WeakPolarHBondContact O-CG 3.26Å; Q371-R375 PolarHBondContact O-N 2.85Å
372L77.1Confident72.8Confident72 Ų7284.7 Ų84.738%0.37746%0.461SS..Hα-helixtrans-64.8-41.5173.9-172.164.6000111.2S368 A369 R375 R376S368-L372 PolarHBondContact O-N 3.36Å; A369-L372 PolarHBondContact O-N 3.02Å; L372-R375 PolarHBondContact O-N 3.16Å; L372-R376 PolarHBondContact O-N 3.15Å
373L78.9Confident74.6Confident106 Ų10679.5 Ų79.556%0.55543%0.429SS*.Hα-helixtrans-62.1-44.9175.4-175.663.5000112.1A369 N370 R376 F377A369-L373 PolarHBondContact O-N 3.37Å; N370-L373 PolarHBondContact O-N 3.43Å; L373-R376 WeakPolarHBondContact O-CB 3.31Å; L373-R376 PolarHBondContact O-N 2.83Å; L373-F377 PolarHBondContact O-N 3.31Å
374L82.4Confident76.2Confident108 Ų10874.1 Ų74.157%0.56540%0.402SS*.Hα-helixtrans-62.3-43.6176.2-73.3169.8000112N370 Q371 R376 F377 N378N370-L374 WeakPolarHBondContact O-CG 3.39Å; N370-L374 PolarHBondContact O-N 3.12Å; Q371-L374 PolarHBondContact O-N 3.39Å; L374-R376 VanDerWaalsContact C-N 3.29Å; L374-R376 PolarHBondContact O-N 3.22Å; L374-F377 PolarHBondContact O-N 3.32Å; L374-N378 WeakPolarHBondContact O-CB 3.09Å; L374-N378 VanDerWaalsContact O-CG 3.28Å; L374-N378 PolarHBondContact O-N 2.8Å; L374-N378 PolarHBondContact O-ND2 3.03Å
375R78.3Confident78Confident116 Ų11675.9 Ų75.944%0.43841%0.407SS..Hα-helixtrans-59.4-41.5174.2-79.5-169.1176.1-159.72111.8L367 Q371 L372 N378 N379L367-R375 HydrophobicContact CD2-CG 4.35Å; Q371-R375 WeakPolarHBondContact O-CG 3.26Å; Q371-R375 PolarHBondContact O-N 2.85Å; L372-R375 PolarHBondContact O-N 3.16Å; R375-N378 PolarHBondContact O-N 3.27Å; R375-N379 WeakPolarHBondContact O-CB 3.18Å; R375-N379 PolarHBondContact O-N 3.17Å
376R75.6Confident79.3Confident62 Ų6274.5 Ų74.523%0.23439%0.387CS..Hα-helixtrans-61.8-48176.1179.6-174.7178.6173.8-1.2111.6F280 L372 L373 L374 N378 N379 H380F280-R376 PolarHBondContact O-NH1 3.41Å; F280-R376 PolarHBondContact O-NH2 3.11Å; L372-R376 PolarHBondContact O-N 3.15Å; L373-R376 WeakPolarHBondContact O-CB 3.31Å; L373-R376 PolarHBondContact O-N 2.83Å; L374-R376 VanDerWaalsContact C-N 3.29Å; L374-R376 PolarHBondContact O-N 3.22Å; R376-N378 VanDerWaalsContact C-N 3.33Å; R376-N378 PolarHBondContact O-N 3.11Å; R376-N379 PolarHBondContact O-N 3.2Å; R376-H380 WeakPolarHBondContact O-CB 3.23Å; R376-H380 PolarHBondContact O-N 3.25Å
377F82.3Confident80.3Confident122 Ų12268.5 Ų68.554%0.53536%0.356SS..Hα-helixtrans-60.7-43.3179.6-176.2-95.7000111.9L373 L374 H380 S381L373-F377 PolarHBondContact O-N 3.31Å; L374-F377 PolarHBondContact O-N 3.32Å; F377-H380 PolarHBondContact O-N 3.48Å; F377-S381 WeakPolarHBondContact O-CB 3.36Å; F377-S381 PolarHBondContact O-N 3.41Å; F377-S381 PolarHBondContact O-OG 3.16Å
378N85.4Confident80.7Confident91 Ų9170.5 Ų70.549%0.48737%0.367SS..Hα-helixtrans-64.6-44.9176.8-70-15.2000111.7L374 R375 R376 S381 I382L374-N378 WeakPolarHBondContact O-CB 3.09Å; L374-N378 VanDerWaalsContact O-CG 3.28Å; L374-N378 PolarHBondContact O-N 2.8Å; L374-N378 PolarHBondContact O-ND2 3.03Å; R375-N378 PolarHBondContact O-N 3.27Å; R376-N378 VanDerWaalsContact C-N 3.33Å; R376-N378 PolarHBondContact O-N 3.11Å; N378-S381 PolarHBondContact O-N 2.92Å; N378-I382 WeakPolarHBondContact O-CD1 3.39Å; N378-I382 VanDerWaalsContact O-CG1 3.24Å; N378-I382 WeakPolarHBondContact O-CG1 3.49Å; N378-I382 PolarHBondContact O-N 2.98Å
379N82.9Confident80.1Confident9 Ų971 Ų715%0.04837%0.371CS..Hα-helixtrans-61.5-46.5177-171.237.3000111.6L304 R375 R376 S381 I382 L383L304-N379 HydrophobicContact CD2-CB 4.25Å; R375-N379 WeakPolarHBondContact O-CB 3.18Å; R375-N379 PolarHBondContact O-N 3.17Å; R376-N379 PolarHBondContact O-N 3.2Å; N379-S381 PolarHBondContact O-N 3.35Å; N379-I382 PolarHBondContact O-N 2.82Å; N379-L383 WeakPolarHBondContact O-CB 3.32Å; N379-L383 WeakPolarHBondContact O-CG 3.5Å; N379-L383 PolarHBondContact O-N 3.17Å
380H83.2Confident79.2Confident26 Ų2671 Ų7112%0.1237%0.366CS..Hα-helixtrans-56.8-49.8175.2176.759.3000112S218 Y250 R376 F377 I382 L383 V384S218-H380 PolarHBondContact O-NE2 3.32Å; Y250-H380 AromaticContact CZ-ND1 3.58Å; Y250-H380 PolarHBondContact OH-CE1 2.88Å; Y250-H380 VanDerWaalsContact OH-CE1 3.31Å; Y250-H380 PolarHBondContact OH-ND1 3.14Å; R376-H380 WeakPolarHBondContact O-CB 3.23Å; R376-H380 PolarHBondContact O-N 3.25Å; F377-H380 PolarHBondContact O-N 3.48Å; H380-I382 VanDerWaalsContact C-N 3.3Å; H380-I382 PolarHBondContact O-N 2.96Å; H380-L383 PolarHBondContact O-N 3.33Å; H380-L383 VanDerWaalsContact O-N 3.17Å; H380-V384 WeakPolarHBondContact O-CG2 3.5Å; H380-V384 PolarHBondContact O-N 3.45Å
381S85.6Confident77.9Confident32 Ų3269.6 Ų69.622%0.22436%0.358CS..Hα-helixtrans-59.8-41.6-179.6-58.50000111.8F377 N378 N379 V384 L385F377-S381 WeakPolarHBondContact O-CB 3.36Å; F377-S381 PolarHBondContact O-N 3.41Å; F377-S381 PolarHBondContact O-OG 3.16Å; N378-S381 PolarHBondContact O-N 2.92Å; N379-S381 PolarHBondContact O-N 3.35Å; S381-V384 PolarHBondContact O-N 3.2Å; S381-L385 VanDerWaalsContact O-CG 3.3Å; S381-L385 WeakPolarHBondContact O-CG 3.49Å; S381-L385 PolarHBondContact O-N 3.45Å
382I83.8Confident76.2Confident61 Ų6170 Ų7031%0.31336%0.363SS..Hα-helixtrans-64.3-45.1176.6-69.6164.9000110.9L304 N378 N379 H380 V384 L385 K386L304-I382 HydrophobicContact CD1-CD1 3.49Å; L304-I382 VanDerWaalsContact CD1-CD1 3.49Å; N378-I382 WeakPolarHBondContact O-CD1 3.39Å; N378-I382 VanDerWaalsContact O-CG1 3.24Å; N378-I382 WeakPolarHBondContact O-CG1 3.49Å; N378-I382 PolarHBondContact O-N 2.98Å; N379-I382 PolarHBondContact O-N 2.82Å; H380-I382 VanDerWaalsContact C-N 3.3Å; H380-I382 PolarHBondContact O-N 2.96Å; I382-V384 PolarHBondContact O-N 3.2Å; I382-L385 PolarHBondContact O-N 3.09Å; I382-K386 HydrophobicContact CG2-CD 4.03Å; I382-K386 HydrophobicContact CG2-CG 4.36Å; I382-K386 WeakPolarHBondContact O-CB 3.44Å; I382-K386 WeakPolarHBondContact O-CG 3.45Å; I382-K386 PolarHBondContact O-N 2.9Å
383L84.2Confident74.4Confident15 Ų1569.2 Ų69.28%0.07937%0.367CS..Hα-helixtrans-61.9-42.9179-76.2172.6000112.1A249 Y250 N379 H380 K386 S387A249-L383 WeakPolarHBondContact O-CB 3.5Å; Y250-L383 HydrophobicContact CD1-CD1 3.74Å; Y250-L383 HydrophobicContact CE1-CD1 3.8Å; N379-L383 WeakPolarHBondContact O-CB 3.32Å; N379-L383 WeakPolarHBondContact O-CG 3.5Å; N379-L383 PolarHBondContact O-N 3.17Å; H380-L383 PolarHBondContact O-N 3.33Å; H380-L383 VanDerWaalsContact O-N 3.17Å; L383-K386 PolarHBondContact O-N 3.16Å; L383-S387 PolarHBondContact O-N 2.79Å
384V84.9Confident72.5Confident12 Ų1268.5 Ų68.57%0.07337%0.371CS..Hα-helixtrans-61.4-45.5173.8173.70000111.1V216 H380 S381 I382 K386 S387 L388V216-V384 HydrophobicContact CB-CG1 4.34Å; V216-V384 HydrophobicContact CG1-CG1 4.29Å; V216-V384 HydrophobicContact CG1-CG2 4.23Å; H380-V384 WeakPolarHBondContact O-CG2 3.5Å; H380-V384 PolarHBondContact O-N 3.45Å; S381-V384 PolarHBondContact O-N 3.2Å; I382-V384 PolarHBondContact O-N 3.2Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 3.32Å; V384-S387 WeakPolarHBondContact O-CB 3.41Å; V384-S387 PolarHBondContact O-N 3.37Å; V384-S387 VanDerWaalsContact O-N 3.17Å; V384-S387 PolarHBondContact O-OG 2.82Å; V384-L388 PolarHBondContact O-N 2.97Å
385L82.4Confident70.4Confident110 Ų11067.8 Ų67.858%0.57638%0.375SS*.Hα-helixtrans-62.6-40.3176.8-70.5171.7000112.4S381 I382 S387 L388 S389S381-L385 VanDerWaalsContact O-CG 3.3Å; S381-L385 WeakPolarHBondContact O-CG 3.49Å; S381-L385 PolarHBondContact O-N 3.45Å; I382-L385 PolarHBondContact O-N 3.09Å; L385-S387 VanDerWaalsContact C-N 3.26Å; L385-S387 PolarHBondContact O-N 3.38Å; L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 2.92Å; L385-L388 VanDerWaalsContact O-N 3.16Å; L385-S389 PolarHBondContact O-N 3.15Å; L385-S389 PolarHBondContact O-OG 2.9Å
386K81.9Confident68.3Low81 Ų8165.6 Ų65.635%0.35238%0.377SS..Hα-helixtrans-65.1-30.7176-73.1-177.873.4175.90112.7D307 I382 L383 V384 L388 S389 S390D307-K386 IonicContact OD1-NZ 3.01Å; D307-K386 IonicContact OD2-NZ 3.59Å; D307-K386 PolarHBondContact OD2-NZ 3.25Å; I382-K386 HydrophobicContact CG2-CD 4.03Å; I382-K386 HydrophobicContact CG2-CG 4.36Å; I382-K386 WeakPolarHBondContact O-CB 3.44Å; I382-K386 WeakPolarHBondContact O-CG 3.45Å; I382-K386 PolarHBondContact O-N 2.9Å; L383-K386 PolarHBondContact O-N 3.16Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 3.32Å; K386-L388 PolarHBondContact O-N 3.23Å; K386-S389 PolarHBondContact O-N 3.1Å; K386-S390 PolarHBondContact O-N 3.02Å; K386-S390 VanDerWaalsContact O-N 3.15Å; K386-S390 PolarHBondContact O-OG 2.66Å
387S77.4Confident66.4Low16 Ų1667.3 Ų67.311%0.11240%0.395CS..Hα-helixtrans-62.8-30175.582.50000112.2V216 R248 L383 V384 L385V216-S387 VanDerWaalsContact CG2-OG 3.3Å; V216-S387 WeakPolarHBondContact CG2-OG 3.35Å; R248-S387 VanDerWaalsContact O-CB 3.26Å; R248-S387 WeakPolarHBondContact O-CB 3.33Å; L383-S387 PolarHBondContact O-N 2.79Å; V384-S387 WeakPolarHBondContact O-CB 3.41Å; V384-S387 PolarHBondContact O-N 3.37Å; V384-S387 VanDerWaalsContact O-N 3.17Å; V384-S387 PolarHBondContact O-OG 2.82Å; L385-S387 VanDerWaalsContact C-N 3.26Å; L385-S387 PolarHBondContact O-N 3.38Å
388L75.7Confident64.2Low88 Ų8866.3 Ų66.346%0.46140%0.395SS..Hα-helixtrans-74.6-44175.7-58.6170.8000111.4V384 L385 K386 S390V384-L388 PolarHBondContact O-N 2.97Å; L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 2.92Å; L385-L388 VanDerWaalsContact O-N 3.16Å; K386-L388 PolarHBondContact O-N 3.23Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.48Å
389S66.3Low61.7Low75 Ų7568.7 Ų68.752%0.52441%0.408SS..Hα-helixtrans-72.6-19.1-176.8-49.30000114.4L385 K386 N391 D392 A393L385-S389 PolarHBondContact O-N 3.15Å; L385-S389 PolarHBondContact O-OG 2.9Å; K386-S389 PolarHBondContact O-N 3.1Å; S389-N391 PolarHBondContact O-N 2.7Å; S389-D392 PolarHBondContact O-N 3.39Å; S389-D392 VanDerWaalsContact O-N 3.07Å; S389-A393 PolarHBondContact O-N 2.76Å
390S57.5Low59.5Low76 Ų7674.1 Ų74.153%0.53144%0.441SS..Hα-helixtrans-64.9-23-176.9-63.60000112.9K386 L388K386-S390 PolarHBondContact O-N 3.02Å; K386-S390 VanDerWaalsContact O-N 3.15Å; K386-S390 PolarHBondContact O-OG 2.66Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.48Å
391N50.1Low57.3Low84 Ų8479 Ų7945%0.44948%0.478SS..Hα-helixtrans-74.9-26.4174.2-78.1-13.7000113.3S389 S394S389-N391 PolarHBondContact O-N 2.7Å; N391-S394 PolarHBondContact O-OG 2.71Å
392D43.6Very low55.1Low108 Ų10883.4 Ų83.458%0.57850%0.495SS*.Hα-helixtrans-88.3-18.5-179.2-69-29.7000112.9S389 S395 S396S389-D392 PolarHBondContact O-N 3.39Å; S389-D392 VanDerWaalsContact O-N 3.07Å; D392-S395 PolarHBondContact O-OG 3.39Å; D392-S396 VanDerWaalsContact O-CB 3.32Å; D392-S396 WeakPolarHBondContact O-CB 3.35Å; D392-S396 PolarHBondContact O-N 2.87Å; D392-S396 PolarHBondContact O-OG 3.48Å
393A39.6Very low52.8Low56 Ų5686 Ų8646%0.46351%0.51SS..Hα-helixtrans-71.9-30.217900000113S389 T397S389-A393 PolarHBondContact O-N 2.76Å; A393-T397 VanDerWaalsContact O-CG2 3.24Å; A393-T397 WeakPolarHBondContact O-CG2 3.49Å; A393-T397 PolarHBondContact O-OG1 3.34Å
394S40Very low50.7Low90 Ų9090.9 Ų90.963%0.62954%0.543SS*.Hα-helixtrans-78.3-16.6178.238.20000114.6N391N391-S394 PolarHBondContact O-OG 2.71Å
395S36.8Very low48.6Very low94 Ų9498.6 Ų98.666%0.65758%0.575SS**Hα-helixtrans-101.2-10.9177.734.70000113.4D392D392-S395 PolarHBondContact O-OG 3.39Å
396S35.2Very low46.7Very low69 Ų6998.6 Ų98.648%0.48358%0.576SS.*Hα-helixtrans-112.5-1-172.7-48.70000115D392 N398 N399D392-S396 VanDerWaalsContact O-CB 3.32Å; D392-S396 WeakPolarHBondContact O-CB 3.35Å; D392-S396 PolarHBondContact O-N 2.87Å; D392-S396 PolarHBondContact O-OG 3.48Å; S396-N398 PolarHBondContact O-N 2.88Å; S396-N399 PolarHBondContact O-N 3.04Å
397T35.6Very low44.8Very low98 Ų9898.9 Ų98.960%0.60158%0.584SS**THydrogen-bonded Turntrans-76.411.2-172.830.10000116.1A393A393-T397 VanDerWaalsContact O-CG2 3.24Å; A393-T397 WeakPolarHBondContact O-CG2 3.49Å; A393-T397 PolarHBondContact O-OG1 3.34Å
398N35.3Very low43.2Very low102 Ų102100.8 Ų100.855%0.54559%0.592SS.*THydrogen-bonded Turntrans-112.38.8173.6-86.515.9000114.8M1 S396M1-N398 PolarHBondContact N-ND2 3.38Å; S396-N398 PolarHBondContact O-N 2.88Å
399N34.3Very low41.5Very low140 Ų140103 Ų10375%0.74961%0.605SS**SBendtrans-116.113.9179.9-82.7-8.1000115.4S396S396-N399 PolarHBondContact O-N 3.04Å
400V37Very low40.4Very low123 Ų123103.1 Ų103.175%0.74561%0.606SS**  trans-123.767.9178.2-166.80000110.9
401S36.5Very low39.9Very low128 Ų128104 Ų10490%0.89561%0.611SS**  trans-115.854.8147.6-1700000107.4
402Q39.7Very low39.9Very low126 Ų126102.3 Ų102.359%0.58961%0.605SS**SBendtrans-113.3131.9166.5-71-170.2-1700106.7
403N34.3Very low40.3Very low116 Ų116103.7 Ų103.762%0.6261%0.611SS**  trans-47.9141.5-179.1-76.2-44.4000110.9K405 D406N403-K405 PolarHBondContact O-N 2.87Å; N403-D406 PolarHBondContact O-N 3.22Å
404P40.4Very low41Very low117 Ų117107.4 Ų107.476%0.7662%0.617SS**THydrogen-bonded Turntrans-64.68.7-17722.7-30.1000114.9
405K41.2Very low41.8Very low174 Ų174108.6 Ų108.676%0.75762%0.616SS**THydrogen-bonded Turntrans-99.1-19.5177.7-66.5-173.8175.9-178.70113.9N403N403-K405 PolarHBondContact O-N 2.87Å
406D42.2Very low42.7Very low110 Ų110113.7 Ų113.759%0.58862%0.621SS**THydrogen-bonded Turntrans-98.6-16.7-170.5-66.1-33.3000114.6N403N403-D406 PolarHBondContact O-N 3.22Å
407V42.7Very low43.8Very low87 Ų87115.2 Ų115.253%0.52763%0.627SS.*SBendtrans-92.4-14.5179.7-174.60000112.3S410V407-S410 PolarHBondContact O-OG 3.37Å
408L42.4Very low44.8Very low55 Ų55117.5 Ų117.529%0.28863%0.626SS.*THydrogen-bonded Turntrans-88.5-12.2-170.8-146.374.7000114.1N314 N316N314-L408 WeakPolarHBondContact O-CD1 3.47Å; N316-L408 HydrophobicContact CB-CD2 3.83Å; N316-L408 HydrophobicContact CB-CG 4.2Å
409N41.3Very low45.9Very low134 Ų134116 Ų11672%0.71762%0.62SS**THydrogen-bonded Turntrans-106.22.2178.3-77.4-13.5000113.5
410S43.2Very low47.2Very low78 Ų78118.1 Ų118.155%0.54562%0.623SS.*  trans-103.612.1-164.666.80000115.7V407 P412V407-S410 PolarHBondContact O-OG 3.37Å; S410-P412 WeakPolarHBondContact O-CD 3.38Å
411C45.4Very low48.2Very low96 Ų96120.9 Ų120.965%0.64963%0.628SS**SBendtrans-110.574156.2-154.40000106.9
412P50.4Low49.3Very low48 Ų48121.7 Ų121.731%0.31262%0.621SS.*  trans-67.3149-167.730.4-34.9000108.6S410 K414 D415S410-P412 WeakPolarHBondContact O-CD 3.38Å; P412-K414 HydrophobicContact CB-CB 3.96Å; P412-K414 HydrophobicContact CG-CB 3.82Å; P412-K414 PolarHBondContact O-N 3.21Å; P412-D415 PolarHBondContact O-N 3.3Å
413L51.9Low50.3Low136 Ų136119.3 Ų119.371%0.71262%0.615SS**Hα-helixtrans-41-28.4163.5-104.485.1000112.4D415 R416 V417L413-D415 PolarHBondContact O-N 2.98Å; L413-R416 PolarHBondContact O-N 3.48Å; L413-R416 VanDerWaalsContact O-N 3.16Å; L413-V417 HydrophobicContact CB-CG2 4.5Å; L413-V417 WeakPolarHBondContact O-CB 3.43Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å
414K54.8Low51.6Low135 Ų135122.4 Ų122.459%0.58763%0.626SS**Hα-helixtrans-48.7-44.6172.2-81.1178.9168.3179.90114.2P412 R416 V417 Y418P412-K414 HydrophobicContact CB-CB 3.96Å; P412-K414 HydrophobicContact CG-CB 3.82Å; P412-K414 PolarHBondContact O-N 3.21Å; K414-R416 VanDerWaalsContact C-N 3.26Å; K414-R416 PolarHBondContact O-N 2.9Å; K414-V417 PolarHBondContact O-N 3.42Å; K414-Y418 HydrophobicContact CB-CD2 4.2Å; K414-Y418 HydrophobicContact CG-CD2 4.33Å; K414-Y418 HydrophobicContact CG-CE2 4.17Å; K414-Y418 VanDerWaalsContact O-CB 3.3Å; K414-Y418 WeakPolarHBondContact O-CB 3.42Å; K414-Y418 VanDerWaalsContact O-CD2 3.29Å; K414-Y418 WeakPolarHBondContact O-CD2 3.44Å; K414-Y418 PolarHBondContact O-N 3.06Å
415D57Low52.6Low115 Ų115123.7 Ų123.762%0.61563%0.626SS**Hα-helixtrans-71.5-21.5-177-74.6-11000113.3P412 L413P412-D415 PolarHBondContact O-N 3.3Å; L413-D415 PolarHBondContact O-N 2.98Å
416R55.2Low53.4Low200 Ų200124.2 Ų124.276%0.75563%0.631SS**Hα-helixtrans-94.8-24.3175-74.7-166.4177.3-175.8-0.8113.7L413 K414L413-R416 PolarHBondContact O-N 3.48Å; L413-R416 VanDerWaalsContact O-N 3.16Å; K414-R416 VanDerWaalsContact C-N 3.26Å; K414-R416 PolarHBondContact O-N 2.9Å
417V59.8Low54.2Low101 Ų101123.9 Ų123.961%0.61263%0.629SS**Hα-helixtrans-86.4-31.7177.4174.40000111L413 K414 V419L413-V417 HydrophobicContact CB-CG2 4.5Å; L413-V417 WeakPolarHBondContact O-CB 3.43Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å; K414-V417 PolarHBondContact O-N 3.42Å; V417-V419 PolarHBondContact O-N 3.06Å
418Y55.1Low55.2Low147 Ų147125.1 Ų125.158%0.57664%0.639SS**SBendtrans-81.594.7170.5-80.4-91.6000109.7K414 K420 V423K414-Y418 HydrophobicContact CB-CD2 4.2Å; K414-Y418 HydrophobicContact CG-CD2 4.33Å; K414-Y418 HydrophobicContact CG-CE2 4.17Å; K414-Y418 VanDerWaalsContact O-CB 3.3Å; K414-Y418 WeakPolarHBondContact O-CB 3.42Å; K414-Y418 VanDerWaalsContact O-CD2 3.29Å; K414-Y418 WeakPolarHBondContact O-CD2 3.44Å; K414-Y418 PolarHBondContact O-N 3.06Å; Y418-K420 PolarHBondContact O-N 2.89Å; Y418-V423 HydrophobicContact CD1-CG2 4.08Å
419V59.2Low56.1Low70 Ų70127 Ų12742%0.42466%0.663SS.*  trans-61.4129.1168.7-174.20000107.8V417 E421 L422V417-V419 PolarHBondContact O-N 3.06Å; V419-E421 HydrophobicContact CG1-CB 3.95Å; V419-E421 HydrophobicContact CG1-CG 4.2Å; V419-E421 PolarHBondContact O-N 3.48Å; V419-L422 HydrophobicContact CB-CD1 4.19Å; V419-L422 HydrophobicContact CB-CG 4.48Å; V419-L422 HydrophobicContact CG2-CD1 4.41Å; V419-L422 PolarHBondContact O-N 2.64Å
420K60.7Low57Low184 Ų184127.9 Ų127.980%0.866%0.663SS**THydrogen-bonded Turntrans-57.9-16-179.9-141.9177.1-177.4-174.90113.6Y418Y418-K420 PolarHBondContact O-N 2.89Å
421E59.1Low58.5Low182 Ų182131.4 Ų131.485%0.8567%0.674SS**THydrogen-bonded Turntrans-82.9-16.4175.1-61.8178.816600114.1V419V419-E421 HydrophobicContact CG1-CB 3.95Å; V419-E421 HydrophobicContact CG1-CG 4.2Å; V419-E421 PolarHBondContact O-N 3.48Å
422L59.4Low59.5Low144 Ų144136 Ų13675%0.75469%0.686SS**SBendtrans-95.7-6.1179.1-76.4167.3000113.4V419V419-L422 HydrophobicContact CB-CD1 4.19Å; V419-L422 HydrophobicContact CB-CG 4.48Å; V419-L422 HydrophobicContact CG2-CD1 4.41Å; V419-L422 PolarHBondContact O-N 2.64Å
423V61.5Low60.5Low76 Ų76140.4 Ų140.446%0.46171%0.706SS.*SBendtrans-103.4110.4172.2-177.80000105.5Y418 D425Y418-V423 HydrophobicContact CD1-CG2 4.08Å; V423-D425 PolarHBondContact O-N 2.99Å; V423-D425 VanDerWaalsContact O-N 3.07Å
424E61.7Low61.8Low182 Ų182141.4 Ų141.485%0.8571%0.712SS**  trans-49.9120.5164.5-81.1177.4156.300106.8Q426E424-Q426 PolarHBondContact O-N 2.95Å
425D60.5Low62.9Low143 Ų143138.4 Ų138.477%0.76570%0.702SS**  trans-48.8113.7170.3-97.1-25.3000105.6V423 N427V423-D425 PolarHBondContact O-N 2.99Å; V423-D425 VanDerWaalsContact O-N 3.07Å; D425-N427 VanDerWaalsContact C-N 3.26Å; D425-N427 PolarHBondContact O-N 3.02Å
426Q57.5Low63.8Low186 Ų186140.4 Ų140.487%0.86972%0.718SS**  trans-59.7101.4174.2-77.9-170.4-4.300105.5E424 P428E424-Q426 PolarHBondContact O-N 2.95Å; Q426-P428 VanDerWaalsContact O-N 3.13Å
427N59.9Low64.7Low103 Ų103133 Ų13355%0.55170%0.697SS**  trans-48.2126.3172.1-118.94.7000105.5D425 A429 E430D425-N427 VanDerWaalsContact C-N 3.26Å; D425-N427 PolarHBondContact O-N 3.02Å; N427-A429 PolarHBondContact O-N 3.32Å; N427-E430 PolarHBondContact ND2-OE2 3.41Å
428P63.1Low65.6Low112 Ų112132.3 Ų132.373%0.72769%0.693SS**SBendtrans-52.9124.5-178.923.2-32.6000106.8Q426 E430Q426-P428 VanDerWaalsContact O-N 3.13Å; P428-E430 PolarHBondContact O-N 3.23Å
429A61.4Low66.5Low96 Ų96129.2 Ų129.279%0.79369%0.689SS**  trans-27.796.3-167.900000112.5N427 I431N427-A429 PolarHBondContact O-N 3.32Å; A429-I431 PolarHBondContact O-N 2.77Å; A429-I431 VanDerWaalsContact O-N 3.09Å
430E61.3Low67.2Low151 Ų151130.7 Ų130.771%0.70670%0.695SS**  trans-68112.5-177.8-99.2178.1149.900107.4N427 P428 Q432N427-E430 PolarHBondContact ND2-OE2 3.41Å; P428-E430 PolarHBondContact O-N 3.23Å; E430-Q432 PolarHBondContact O-N 3.28Å; E430-Q432 VanDerWaalsContact O-N 3.1Å
431I73.9Confident67.8Low153 Ų153129.6 Ų129.679%0.78569%0.687SS**  trans-69.7106.6169.6-59169.6000105.7A429 L433A429-I431 PolarHBondContact O-N 2.77Å; A429-I431 VanDerWaalsContact O-N 3.09Å; I431-L433 PolarHBondContact O-N 2.97Å
432Q66.7Low68.5Low192 Ų192127.8 Ų127.890%0.89768%0.682SS**  trans-58.4111.7170.3-89.6-172.3-22.100108.8E430E430-Q432 PolarHBondContact O-N 3.28Å; E430-Q432 VanDerWaalsContact O-N 3.1Å
433L70.2Confident69.1Low140 Ų140128 Ų12873%0.73368%0.679SS**  trans-94.899.2178.5-16398.3000108.8I431 L435I431-L433 PolarHBondContact O-N 2.97Å; L433-L435 HydrophobicContact CD2-CD2 3.66Å
434D79.3Confident69.5Low158 Ų158126 Ų12685%0.84568%0.675SS**  trans-88.6120.8172.7-155.49.5000109.6T436D434-T436 PolarHBondContact O-N 2.83Å
435L78.9Confident70.1Confident72 Ų72124.1 Ų124.138%0.37768%0.678SS.*  trans-82.8110.6-175.6-65.3177.8000109.5L433 C437 V438 Y441L433-L435 HydrophobicContact CD2-CD2 3.66Å; L435-C437 VanDerWaalsContact C-N 3.28Å; L435-C437 PolarHBondContact O-N 3.32Å; L435-V438 HydrophobicContact CB-CG2 4.22Å; L435-Y441 HydrophobicContact CD1-CD2 4.44Å; L435-Y441 HydrophobicContact CD1-CE2 4.14Å; L435-Y441 HydrophobicContact CD2-CE2 3.89Å; L435-Y441 HydrophobicContact CG-CE2 4.45Å
436T76.5Confident70.6Confident156 Ų156122.2 Ų122.296%0.95767%0.672SS**SBendtrans-65.3-27.9-178.811.20000113.7D434D434-T436 PolarHBondContact O-N 2.83Å
437C72.4Confident71Confident46 Ų46118.1 Ų118.131%0.31166%0.661SS.*  trans-141.984.9-176.7-153.30000111L435 T439 D440 Y441L435-C437 VanDerWaalsContact C-N 3.28Å; L435-C437 PolarHBondContact O-N 3.32Å; C437-T439 PolarHBondContact O-N 3.36Å; C437-T439 PolarHBondContact SG-OG1 2.74Å; C437-D440 WeakPolarHBondContact CB-OD2 3.33Å; C437-D440 PolarHBondContact O-N 3.27Å; C437-D440 VanDerWaalsContact SG-CG 3.51Å; C437-D440 PolarHBondContact SG-OD1 2.96Å; C437-Y441 WeakPolarHBondContact O-CD2 3.47Å
438V79.5Confident70.9Confident85 Ų85118.1 Ų118.152%0.51567%0.669SS.*Hα-helixtrans-64.2-26.5178.1-177.90000111.6L435 D440 Y441L435-V438 HydrophobicContact CB-CG2 4.22Å; V438-D440 VanDerWaalsContact C-N 3.3Å; V438-D440 PolarHBondContact O-N 2.91Å; V438-Y441 PolarHBondContact O-N 2.64Å
439T74.5Confident70.8Confident82 Ų82120.4 Ų120.450%0.50367%0.674SS.*Hα-helixtrans-63.5-32.9-179.148.80000113C437 Y441 L442 E443C437-T439 PolarHBondContact O-N 3.36Å; C437-T439 PolarHBondContact SG-OG1 2.74Å; T439-Y441 VanDerWaalsContact C-N 3.3Å; T439-Y441 PolarHBondContact O-N 3.01Å; T439-L442 PolarHBondContact O-N 2.92Å; T439-L442 VanDerWaalsContact O-N 3.12Å; T439-E443 PolarHBondContact O-N 2.99Å; T439-E443 VanDerWaalsContact O-N 3.16Å
440D73Confident70.5Confident102 Ų102119 Ų11955%0.54566%0.662SS.*Hα-helixtrans-68.8-31.4-178.7-60.7-5.9000111.8C437 V438 L442C437-D440 WeakPolarHBondContact CB-OD2 3.33Å; C437-D440 PolarHBondContact O-N 3.27Å; C437-D440 VanDerWaalsContact SG-CG 3.51Å; C437-D440 PolarHBondContact SG-OD1 2.96Å; V438-D440 VanDerWaalsContact C-N 3.3Å; V438-D440 PolarHBondContact O-N 2.91Å; D440-L442 VanDerWaalsContact C-N 3.32Å
441Y74.2Confident69.9Low161 Ų161113.4 Ų113.463%0.63164%0.644SS**Hα-helixtrans-72.9-26.3174.8-66-84.7000112.6L435 C437 V438 T439L435-Y441 HydrophobicContact CD1-CD2 4.44Å; L435-Y441 HydrophobicContact CD1-CE2 4.14Å; L435-Y441 HydrophobicContact CD2-CE2 3.89Å; L435-Y441 HydrophobicContact CG-CE2 4.45Å; C437-Y441 WeakPolarHBondContact O-CD2 3.47Å; V438-Y441 PolarHBondContact O-N 2.64Å; T439-Y441 VanDerWaalsContact C-N 3.3Å; T439-Y441 PolarHBondContact O-N 3.01Å
442L73.6Confident68.7Low143 Ų143116.2 Ų116.275%0.74965%0.651SS**Hα-helixtrans-82.1-25.5178.5-65.6171.4000112.4T439 D440T439-L442 PolarHBondContact O-N 2.92Å; T439-L442 VanDerWaalsContact O-N 3.12Å; D440-L442 VanDerWaalsContact C-N 3.32Å
443E72.7Confident67.8Low149 Ų149110.6 Ų110.670%0.69664%0.637SS**Hα-helixtrans-78.5-20.9176.7-69.9-171.2168.300113.3T439T439-E443 PolarHBondContact O-N 2.99Å; T439-E443 VanDerWaalsContact O-N 3.16Å
444G70.1Confident66.7Low35 Ų35108.7 Ų108.736%0.36163%0.632SS.*  trans64.7161.2174.600000114.5T446G444-T446 PolarHBondContact O-N 3.1Å; G444-T446 VanDerWaalsContact O-N 3.17Å
445P73.6Confident65.2Low141 Ų141110.4 Ų110.492%0.91663%0.632SS**SBendtrans-75.62.2177.532.2-35.7000113.2
446T71.2Confident63.6Low104 Ų104112.2 Ų112.264%0.63864%0.641SS**SBendtrans-68.7123.4174.233.50000109G444 S448G444-T446 PolarHBondContact O-N 3.1Å; G444-T446 VanDerWaalsContact O-N 3.17Å; T446-S448 PolarHBondContact O-N 2.79Å; T446-S448 VanDerWaalsContact O-N 3.16Å
447P65.8Low62Low99 Ų99112.7 Ų112.764%0.64363%0.634SS**  trans-53.1130.5174.622.9-32000107.9I449P447-I449 HydrophobicContact CG-CD1 4.2Å; P447-I449 HydrophobicContact CG-CG1 4.45Å; P447-I449 WeakPolarHBondContact O-CG1 3.37Å; P447-I449 PolarHBondContact O-N 2.91Å
448S57.5Low60.6Low103 Ų103116 Ų11672%0.7265%0.649SS**  trans-64.279.4-178.1-169.80000110.3T446 G451T446-S448 PolarHBondContact O-N 2.79Å; T446-S448 VanDerWaalsContact O-N 3.16Å; S448-G451 VanDerWaalsContact OG-CA 3.26Å; S448-G451 WeakPolarHBondContact OG-CA 3.17Å; S448-G451 PolarHBondContact OG-N 2.91Å
449I60.3Low58.9Low161 Ų161117.6 Ų117.683%0.82666%0.661SS**SBendtrans-76.9-16.1175.2-67.8167000109.4P447P447-I449 HydrophobicContact CG-CD1 4.2Å; P447-I449 HydrophobicContact CG-CG1 4.45Å; P447-I449 WeakPolarHBondContact O-CG1 3.37Å; P447-I449 PolarHBondContact O-N 2.91Å
450A54.5Low57.5Low67 Ų67121.5 Ų121.555%0.55468%0.678SS**SBendtrans-113.2-5.2-176.400000115.6K452 A453 T454A450-K452 PolarHBondContact O-N 3.29Å; A450-K452 VanDerWaalsContact O-N 3.08Å; A450-A453 PolarHBondContact O-N 3.03Å; A450-T454 PolarHBondContact O-OG1 3.29Å
451G49.2Very low56.2Low32 Ų32119.9 Ų119.933%0.3368%0.675SS.*THydrogen-bonded Turntrans-69.4-6.7-170.600000117.2S448S448-G451 VanDerWaalsContact OG-CA 3.26Å; S448-G451 WeakPolarHBondContact OG-CA 3.17Å; S448-G451 PolarHBondContact OG-N 2.91Å
452K49.9Very low54.7Low212 Ų212118.8 Ų118.892%0.92269%0.685SS**THydrogen-bonded Turntrans-82.1-16.1173-77.6-176.8178.7177.50113.6A450A450-K452 PolarHBondContact O-N 3.29Å; A450-K452 VanDerWaalsContact O-N 3.08Å
453A47Very low52.8Low74 Ų74118 Ų11861%0.61269%0.686SS**THydrogen-bonded Turntrans-101-27.5-175.600000113.8A450A450-A453 PolarHBondContact O-N 3.03Å
454T46.2Very low51Low100 Ų100121.4 Ų121.461%0.61369%0.692SS**G310 helixtrans-97.3-9.2-166.6-12.90000115.2A450 L456A450-T454 PolarHBondContact O-OG1 3.29Å; T454-L456 PolarHBondContact O-N 2.84Å; T454-L456 VanDerWaalsContact O-N 3.15Å
455K48.6Very low49.6Very low194 Ų194128.4 Ų128.484%0.84372%0.715SS**G310 helixtrans-74.49.1170.3-76.9-170.2176.6-175.90113.9
456L45.9Very low47.8Very low111 Ų111127.6 Ų127.658%0.58171%0.708SS**G310 helixtrans-104.616.2-178.7-77173.3000114.3T454 L474T454-L456 PolarHBondContact O-N 2.84Å; T454-L456 VanDerWaalsContact O-N 3.15Å; L456-L474 HydrophobicContact CD1-CD1 3.79Å; L456-L474 HydrophobicContact CD2-CD1 3.53Å; L456-L474 HydrophobicContact CD2-CD2 3.51Å; L456-L474 HydrophobicContact CD2-CG 4.17Å; L456-L474 HydrophobicContact CG-CD1 4.31Å
457M42.8Very low46.3Very low165 Ų165129 Ų12981%0.81371%0.712SS**  trans-128.122.1-168.3-144.9179.8-177.700116.4
458D42.6Very low45.7Very low117 Ų117130.8 Ų130.863%0.62672%0.721SS**  trans-114.597.8167.8-155.712.2000111.3L460 S461D458-L460 VanDerWaalsContact C-N 3.3Å; D458-L460 PolarHBondContact O-N 3.41Å; D458-S461 PolarHBondContact OD2-OG 3.09Å
459P43.5Very low45.6Very low117 Ų117129.5 Ų129.576%0.7671%0.712SS**THydrogen-bonded Turntrans-80.47.3-169.1-11.828.6000115.9
460L45.1Very low45.1Very low165 Ų165130.2 Ų130.286%0.86471%0.706SS**THydrogen-bonded Turntrans-131.12.9-164.5-68.4172.2000115.9D458D458-L460 VanDerWaalsContact C-N 3.3Å; D458-L460 PolarHBondContact O-N 3.41Å
461S45.1Very low45.1Very low68 Ų68129.3 Ų129.348%0.47670%0.703SS.*  trans-141.636.9-160.956.10000115.6D458D458-S461 PolarHBondContact OD2-OG 3.09Å
462V43.5Very low45.8Very low138 Ų138132.7 Ų132.784%0.83671%0.713SS**  trans-131.993.6169.7-171.70000112.7
463T34.4Very low46.4Very low126 Ų126128.8 Ų128.877%0.77370%0.698SS**  trans-73.5123.6167-40.50000109.9
464R33.7Very low47.3Very low221 Ų221128.8 Ų128.883%0.83469%0.687SS**  trans38.198.4150.3-67.2178.7171.4-178.6-2.7118.3
465Q41.5Very low48.5Very low181 Ų181128.9 Ų128.985%0.84668%0.681SS**  trans-17788.8139.5-99.8157.960.300107.4
466T35.5Very low49.8Very low125 Ų125125.8 Ų125.877%0.76767%0.669SS**  55.670.5107.162.30000114.4
467D40.8Very low51.1Low133 Ų133124 Ų12471%0.71167%0.666SS**  trans-145.198.5146.1-91.9-29.2000108.6S469D467-S469 PolarHBondContact O-N 3.1Å; D467-S469 VanDerWaalsContact O-N 3.16Å
468T52.3Low52.9Low136 Ų136120.4 Ų120.483%0.83465%0.653SS**THydrogen-bonded Turntrans-74.73.7-166.4340000115.3
469S55.9Low54.6Low77 Ų77120.1 Ų120.154%0.53865%0.646SS.*THydrogen-bonded Turntrans-98.8-33.6-179800000114.4D467D467-S469 PolarHBondContact O-N 3.1Å; D467-S469 VanDerWaalsContact O-N 3.16Å
470Y50Low56.2Low176 Ų176123.4 Ų123.469%0.6964%0.644SS**Hα-helixtrans-77.7-30.6-177.3-76.9-80.6000113.1L472 L474Y470-L472 PolarHBondContact O-N 3.02Å; Y470-L474 PolarHBondContact O-N 3.48Å
471G54.2Low57.7Low48 Ų48119.1 Ų119.150%0.49563%0.626SS.*Hα-helixtrans-64.1-37.8178.700000113.9E475G471-E475 PolarHBondContact O-N 3.21Å; G471-E475 VanDerWaalsContact O-N 3.1Å
472L62.8Low59.5Low103 Ų103122.5 Ų122.554%0.53963%0.633SS.*Hα-helixtrans-69.8-37.2-179.4-91.2156.6000112.9Y470 Q476Y470-L472 PolarHBondContact O-N 3.02Å; L472-Q476 WeakPolarHBondContact O-CB 3.33Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.21Å; L472-Q476 PolarHBondContact O-N 2.74Å
473Q63Low61Low129 Ų129121 Ų12160%0.60362%0.62SS**Hα-helixtrans-70.2-36.9176.8-76.6-173.16.100112.4S477Q473-S477 WeakPolarHBondContact O-CB 3.46Å; Q473-S477 PolarHBondContact O-N 3.27Å; Q473-S477 PolarHBondContact O-OG 2.79Å
474L65.6Low62.9Low75 Ų75121.3 Ų121.339%0.39361%0.614SS.*Hα-helixtrans-66.4-44.4176.1-174.566.4000111L456 Y470 Q476 S477 V478L456-L474 HydrophobicContact CD1-CD1 3.79Å; L456-L474 HydrophobicContact CD2-CD1 3.53Å; L456-L474 HydrophobicContact CD2-CD2 3.51Å; L456-L474 HydrophobicContact CD2-CG 4.17Å; L456-L474 HydrophobicContact CG-CD1 4.31Å; Y470-L474 PolarHBondContact O-N 3.48Å; L474-Q476 VanDerWaalsContact C-N 3.35Å; L474-Q476 PolarHBondContact O-N 2.93Å; L474-S477 PolarHBondContact O-N 3.04Å; L474-V478 HydrophobicContact CD1-CG2 4.5Å; L474-V478 WeakPolarHBondContact O-CG2 3.42Å; L474-V478 PolarHBondContact O-N 3.31Å
475E72.8Confident64.7Low102 Ų102115.9 Ų115.948%0.47760%0.599SS.*Hα-helixtrans-64.4-38.9178.6-154.9-166.9153.300112.1G471 K479G471-E475 PolarHBondContact O-N 3.21Å; G471-E475 VanDerWaalsContact O-N 3.1Å; E475-K479 WeakPolarHBondContact O-CB 2.91Å; E475-K479 VanDerWaalsContact O-CG 3.29Å; E475-K479 WeakPolarHBondContact O-CG 3.27Å; E475-K479 PolarHBondContact O-N 2.87Å; E475-K479 WeakPolarHBondContact OE1-CE 3.43Å; E475-K479 IonicContact OE1-NZ 2.95Å; E475-K479 PolarHBondContact OE1-NZ 3.3Å
476Q75.4Confident66.3Low129 Ų129109.9 Ų109.960%0.60358%0.575SS**Hα-helixtrans-66.3-39.4173.2-75.1176.5-200112.5L472 L474 K479 R480L472-Q476 WeakPolarHBondContact O-CB 3.33Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.21Å; L472-Q476 PolarHBondContact O-N 2.74Å; L474-Q476 VanDerWaalsContact C-N 3.35Å; L474-Q476 PolarHBondContact O-N 2.93Å; Q476-K479 PolarHBondContact O-N 3.23Å; Q476-R480 WeakPolarHBondContact O-CB 3.48Å; Q476-R480 PolarHBondContact O-N 3.06Å
477S73.5Confident68Low74 Ų74106.6 Ų106.652%0.51756%0.56SS.*Hα-helixtrans-69.4-41.7179.7-58.60000112.1Q473 L474 R480 C481Q473-S477 WeakPolarHBondContact O-CB 3.46Å; Q473-S477 PolarHBondContact O-N 3.27Å; Q473-S477 PolarHBondContact O-OG 2.79Å; L474-S477 PolarHBondContact O-N 3.04Å; S477-R480 PolarHBondContact O-N 3.34Å; S477-C481 WeakPolarHBondContact O-CB 3.24Å; S477-C481 PolarHBondContact O-N 3.33Å
478V79.9Confident69Low88 Ų88103.8 Ų103.853%0.53356%0.556SS.*Hα-helixtrans-65.2-42173.9172.90000110.8L474 R480 C481 K482L474-V478 HydrophobicContact CD1-CG2 4.5Å; L474-V478 WeakPolarHBondContact O-CG2 3.42Å; L474-V478 PolarHBondContact O-N 3.31Å; V478-R480 VanDerWaalsContact C-N 3.35Å; V478-R480 PolarHBondContact O-N 2.72Å; V478-C481 PolarHBondContact O-N 3.07Å; V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.36Å; V478-K482 PolarHBondContact O-N 2.81Å
479K77.8Confident69.6Low111 Ų111106.3 Ų106.348%0.48355%0.551SS.*Hα-helixtrans-61.5-40.8173.1-78.7173.5-173.7165.20112E475 Q476 K482 N483E475-K479 WeakPolarHBondContact O-CB 2.91Å; E475-K479 VanDerWaalsContact O-CG 3.29Å; E475-K479 WeakPolarHBondContact O-CG 3.27Å; E475-K479 PolarHBondContact O-N 2.87Å; E475-K479 WeakPolarHBondContact OE1-CE 3.43Å; E475-K479 IonicContact OE1-NZ 2.95Å; E475-K479 PolarHBondContact OE1-NZ 3.3Å; Q476-K479 PolarHBondContact O-N 3.23Å; K479-K482 PolarHBondContact O-N 3.37Å; K479-N483 WeakPolarHBondContact O-CB 3.49Å; K479-N483 PolarHBondContact O-N 3.45Å; K479-N483 PolarHBondContact O-ND2 2.88Å; K479-N483 PolarHBondContact O-OD1 3.43Å
480R78.3Confident69.9Low187 Ų187109.5 Ų109.571%0.70656%0.557SS**Hα-helixtrans-65.6-43.9177.2-165.7176.4-171.8164.11.8112.1Q476 S477 V478 N483 M484Q476-R480 WeakPolarHBondContact O-CB 3.48Å; Q476-R480 PolarHBondContact O-N 3.06Å; S477-R480 PolarHBondContact O-N 3.34Å; V478-R480 VanDerWaalsContact C-N 3.35Å; V478-R480 PolarHBondContact O-N 2.72Å; R480-N483 PolarHBondContact O-N 3.2Å; R480-M484 WeakPolarHBondContact O-CG 3.36Å; R480-M484 PolarHBondContact O-N 3.43Å
481C76.2Confident70Confident74 Ų74108.2 Ų108.250%0.556%0.559SS.*Hα-helixtrans-63-45.8175.3-174.90000111.6S477 V478 N483 M484 M485S477-C481 WeakPolarHBondContact O-CB 3.24Å; S477-C481 PolarHBondContact O-N 3.33Å; V478-C481 PolarHBondContact O-N 3.07Å; C481-N483 VanDerWaalsContact C-N 3.33Å; C481-N483 PolarHBondContact O-N 2.76Å; C481-M484 PolarHBondContact O-N 3.38Å; C481-M485 PolarHBondContact O-N 2.96Å
482K81.8Confident69.6Low140 Ų140109 Ų10961%0.60957%0.568SS**Hα-helixtrans-58.4-45174.3-172.9176.7179.51770111.3V478 K479 M484 M485 V486V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.36Å; V478-K482 PolarHBondContact O-N 2.81Å; K479-K482 PolarHBondContact O-N 3.37Å; K482-M484 PolarHBondContact O-N 3.28Å; K482-M485 PolarHBondContact O-N 3.12Å; K482-V486 HydrophobicContact CG-CG2 4.26Å; K482-V486 WeakPolarHBondContact O-CB 3.32Å; K482-V486 WeakPolarHBondContact O-CG2 3.49Å; K482-V486 PolarHBondContact O-N 2.84Å
483N76.6Confident68.8Low107 Ų107113.9 Ų113.957%0.57259%0.585SS**Hα-helixtrans-64.3-37.5177.2-70.4-9.8000112.5K479 R480 C481 A487K479-N483 WeakPolarHBondContact O-CB 3.49Å; K479-N483 PolarHBondContact O-N 3.45Å; K479-N483 PolarHBondContact O-ND2 2.88Å; K479-N483 PolarHBondContact O-OD1 3.43Å; R480-N483 PolarHBondContact O-N 3.2Å; C481-N483 VanDerWaalsContact C-N 3.33Å; C481-N483 PolarHBondContact O-N 2.76Å; N483-A487 VanDerWaalsContact O-CB 3.26Å; N483-A487 WeakPolarHBondContact O-CB 3.32Å; N483-A487 PolarHBondContact O-N 2.73Å
484M74.4Confident68.2Low132 Ų132117 Ų11765%0.6560%0.596SS**Hα-helixtrans-67.5-43.5174.8-78.9-177.152.100112.6R480 C481 K482 A487 A488R480-M484 WeakPolarHBondContact O-CG 3.36Å; R480-M484 PolarHBondContact O-N 3.43Å; C481-M484 PolarHBondContact O-N 3.38Å; K482-M484 PolarHBondContact O-N 3.28Å; M484-A487 PolarHBondContact O-N 3.14Å; M484-A488 WeakPolarHBondContact O-CB 3.49Å; M484-A488 PolarHBondContact O-N 3.34Å
485M71.2Confident67.5Low106 Ų106120.2 Ų120.252%0.52262%0.622SS.*Hα-helixtrans-62.4-47.5173.5-95.3-171.143.100111C481 K482 A487 A488 Y489C481-M485 PolarHBondContact O-N 2.96Å; K482-M485 PolarHBondContact O-N 3.12Å; M485-A487 VanDerWaalsContact C-N 3.3Å; M485-A487 PolarHBondContact O-N 3.22Å; M485-A488 CarbonylContact O-C 3.48Å; M485-A488 WeakPolarHBondContact O-CA 3.48Å; M485-A488 WeakPolarHBondContact O-CB 3.42Å; M485-A488 PolarHBondContact O-N 3.15Å; M485-Y489 HydrophobicContact CE-CD2 4.44Å; M485-Y489 HydrophobicContact CE-CE2 3.98Å; M485-Y489 WeakPolarHBondContact O-CD2 3.44Å; M485-Y489 PolarHBondContact O-N 2.82Å
486V75.5Confident66.4Low56 Ų56118.5 Ų118.534%0.33963%0.632SS.*Hα-helixtrans-60.4-40.5178.5166.50000110.7K482 Y489 H490K482-V486 HydrophobicContact CG-CG2 4.26Å; K482-V486 WeakPolarHBondContact O-CB 3.32Å; K482-V486 WeakPolarHBondContact O-CG2 3.49Å; K482-V486 PolarHBondContact O-N 2.84Å; V486-Y489 PolarHBondContact O-N 2.86Å; V486-H490 WeakPolarHBondContact CG1-CD2 3.48Å; V486-H490 WeakPolarHBondContact CG1-NE2 3.44Å; V486-H490 VanDerWaalsContact O-CB 3.31Å; V486-H490 WeakPolarHBondContact O-CB 3.45Å; V486-H490 PolarHBondContact O-CD2 2.86Å; V486-H490 PolarHBondContact O-N 3.05Å
487A70.4Confident65.5Low55 Ų55118.8 Ų118.846%0.45564%0.642SS.*Hα-helixtrans-64.5-39.2171.800000112.9N483 M484 M485 M491N483-A487 VanDerWaalsContact O-CB 3.26Å; N483-A487 WeakPolarHBondContact O-CB 3.32Å; N483-A487 PolarHBondContact O-N 2.73Å; M484-A487 PolarHBondContact O-N 3.14Å; M485-A487 VanDerWaalsContact C-N 3.3Å; M485-A487 PolarHBondContact O-N 3.22Å; A487-M491 WeakPolarHBondContact O-CG 3.5Å; A487-M491 PolarHBondContact O-N 3.37Å
488A61.4Low64.6Low74 Ų74119.6 Ų119.661%0.61265%0.648SS**Hα-helixtrans-67.7-33.4175.700000112.8M484 M485M484-A488 WeakPolarHBondContact O-CB 3.49Å; M484-A488 PolarHBondContact O-N 3.34Å; M485-A488 CarbonylContact O-C 3.48Å; M485-A488 WeakPolarHBondContact O-CA 3.48Å; M485-A488 WeakPolarHBondContact O-CB 3.42Å; M485-A488 PolarHBondContact O-N 3.15Å
489Y65Low63.7Low189 Ų189123.8 Ų123.874%0.74167%0.666SS**Hα-helixtrans-85.1-26.2178-82.5-78.6000113.7M485 V486M485-Y489 HydrophobicContact CE-CD2 4.44Å; M485-Y489 HydrophobicContact CE-CE2 3.98Å; M485-Y489 WeakPolarHBondContact O-CD2 3.44Å; M485-Y489 PolarHBondContact O-N 2.82Å; V486-Y489 PolarHBondContact O-N 2.86Å
490H61.8Low63Low144 Ų144122.8 Ų122.867%0.66767%0.666SS**Hα-helixtrans-81.9-11.2176.6-76.4-54.2000114.4V486 G492V486-H490 WeakPolarHBondContact CG1-CD2 3.48Å; V486-H490 WeakPolarHBondContact CG1-NE2 3.44Å; V486-H490 VanDerWaalsContact O-CB 3.31Å; V486-H490 WeakPolarHBondContact O-CB 3.45Å; V486-H490 PolarHBondContact O-CD2 2.86Å; V486-H490 PolarHBondContact O-N 3.05Å; H490-G492 VanDerWaalsContact C-N 3.29Å; H490-G492 PolarHBondContact O-N 3.07Å
491M52.3Low63Low149 Ų149117.7 Ų117.773%0.73466%0.656SS**SBendtrans-75.588167.3-71-66.4113.900108.8A487 K493A487-M491 WeakPolarHBondContact O-CG 3.5Å; A487-M491 PolarHBondContact O-N 3.37Å; M491-K493 PolarHBondContact O-N 3.17Å
492G46.4Very low63Low66 Ų66117.6 Ų117.668%0.6866%0.66SS**  trans-52.9124.3179.600000112.6H490H490-G492 VanDerWaalsContact C-N 3.29Å; H490-G492 PolarHBondContact O-N 3.07Å
493K46.1Very low63.1Low204 Ų204116.9 Ų116.989%0.88766%0.662SS**SBendtrans53.477152.4-58.5-176.9-179.9-179.70115.8M491M491-K493 PolarHBondContact O-N 3.17Å
494K50.7Low63.4Low194 Ų194116.7 Ų116.784%0.84366%0.658SS**  trans171.7117.8134.9-94.1163.8-174.3-176.70107.7G496K494-G496 PolarHBondContact O-N 3.13Å
495P49.9Very low63.7Low143 Ų143112.2 Ų112.293%0.92964%0.64SS**  trans-7371.6167.331.7-30000107.9
496G50.3Low64.2Low67 Ų67113.4 Ų113.469%0.69164%0.644SS**  trans-94.8-4.6-178.900000113.3K494 S498K494-G496 PolarHBondContact O-N 3.13Å; G496-S498 PolarHBondContact O-N 2.87Å
497V55.8Low64.6Low134 Ų134116 Ų11681%0.81265%0.652SS**SBendtrans-83.595.9169.4-1720000106L499V497-L499 PolarHBondContact O-N 2.9Å
498S55Low65.1Low91 Ų91115.7 Ų115.764%0.63665%0.65SS**  trans-51.2115.6169-171.90000107.4G496 L500G496-S498 PolarHBondContact O-N 2.87Å; S498-L500 WeakPolarHBondContact CB-O 3.42Å; S498-L500 PolarHBondContact O-N 3.41Å; S498-L500 PolarHBondContact OG-O 3.05Å
499L59.9Low66.1Low177 Ų177117.4 Ų117.493%0.92765%0.648SS**SBendtrans-56.7-11.4174.6-101.6150000112.5V497V497-L499 PolarHBondContact O-N 2.9Å
500L63.5Low66.9Low90 Ų90110.7 Ų110.747%0.47163%0.632SS.*SBendtrans-130.6122.9-178.5-141.669.7000109S498 E504 S505S498-L500 WeakPolarHBondContact CB-O 3.42Å; S498-L500 PolarHBondContact O-N 3.41Å; S498-L500 PolarHBondContact OG-O 3.05Å; L500-E504 HydrophobicContact CD1-CB 4.46Å; L500-E504 HydrophobicContact CG-CB 4.3Å; L500-S505 WeakPolarHBondContact CD2-OG 3.33Å
501T78.7Confident67.8Low80 Ų80105 Ų10549%0.49161%0.607SS.*  trans-70.9144169.7-470000108.6L503 E504 S505T501-L503 HydrophobicContact CG2-CB 4.2Å; T501-L503 PolarHBondContact O-N 3.48Å; T501-E504 VanDerWaalsContact CB-OE2 3.3Å; T501-E504 WeakPolarHBondContact CB-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 2.88Å; T501-E504 WeakPolarHBondContact O-CB 3.49Å; T501-E504 PolarHBondContact O-N 3.08Å; T501-E504 PolarHBondContact OG1-OE2 3.32Å; T501-S505 PolarHBondContact O-N 3.06Å; T501-S505 PolarHBondContact O-OG 2.92Å
502A77.3Confident69.2Low72 Ų72101.2 Ų101.260%0.59559%0.591SS**Hα-helixtrans-52.9-30.8176.800000112.9Q506A502-Q506 WeakPolarHBondContact O-CB 3.32Å; A502-Q506 WeakPolarHBondContact O-CG 3.26Å; A502-Q506 PolarHBondContact O-N 3.46Å
503L82.4Confident70.6Confident125 Ų125100.4 Ų100.465%0.65458%0.576SS**Hα-helixtrans-67.9-41.3174-172.466.1000113T501 S505 Q506 Q507T501-L503 HydrophobicContact CG2-CB 4.2Å; T501-L503 PolarHBondContact O-N 3.48Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-Q506 PolarHBondContact O-N 3.27Å; L503-Q507 WeakPolarHBondContact O-CB 3.3Å; L503-Q507 PolarHBondContact O-N 3.04Å
504E82.5Confident71.8Confident102 Ų10297 Ų9748%0.47757%0.574SS.*Hα-helixtrans-67.7-37.3176.9-67.1168.9139.300110.8L500 T501 Q507 A508L500-E504 HydrophobicContact CD1-CB 4.46Å; L500-E504 HydrophobicContact CG-CB 4.3Å; T501-E504 VanDerWaalsContact CB-OE2 3.3Å; T501-E504 WeakPolarHBondContact CB-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 2.88Å; T501-E504 WeakPolarHBondContact O-CB 3.49Å; T501-E504 PolarHBondContact O-N 3.08Å; T501-E504 PolarHBondContact OG1-OE2 3.32Å; E504-Q507 PolarHBondContact O-N 3.04Å; E504-A508 WeakPolarHBondContact O-CB 3.49Å; E504-A508 PolarHBondContact O-N 3.33Å
505S81.8Confident72.7Confident39 Ų3991.4 Ų91.427%0.27357%0.572SS.*Hα-helixtrans-64.4-42.5173-45.90000112.4L500 T501 L503 A508 L509L500-S505 WeakPolarHBondContact CD2-OG 3.33Å; T501-S505 PolarHBondContact O-N 3.06Å; T501-S505 PolarHBondContact O-OG 2.92Å; L503-S505 VanDerWaalsContact C-N 3.34Å; S505-A508 PolarHBondContact O-N 2.9Å; S505-L509 WeakPolarHBondContact O-CB 3.41Å; S505-L509 PolarHBondContact O-N 3.18Å
506Q82.6Confident73.7Confident130 Ų13085.1 Ų85.161%0.60753%0.533SS*.Hα-helixtrans-67.8-39.6177.4-79.2178.1-7.800112.1A502 L503 L509 A510A502-Q506 WeakPolarHBondContact O-CB 3.32Å; A502-Q506 WeakPolarHBondContact O-CG 3.26Å; A502-Q506 PolarHBondContact O-N 3.46Å; L503-Q506 PolarHBondContact O-N 3.27Å; Q506-L509 PolarHBondContact O-N 3.48Å; Q506-A510 WeakPolarHBondContact O-CB 3.33Å; Q506-A510 PolarHBondContact O-N 2.83Å
507Q82.8Confident74.7Confident110 Ų11086.3 Ų86.351%0.51453%0.53SS..Hα-helixtrans-65.4-43.2174.7-173.660.941.700111.3L503 E504 L509 A510 D511L503-Q507 WeakPolarHBondContact O-CB 3.3Å; L503-Q507 PolarHBondContact O-N 3.04Å; E504-Q507 PolarHBondContact O-N 3.04Å; Q507-L509 VanDerWaalsContact C-N 3.32Å; Q507-L509 PolarHBondContact O-N 3.17Å; Q507-A510 PolarHBondContact O-N 3Å; Q507-D511 PolarHBondContact NE2-OD1 3.42Å; Q507-D511 VanDerWaalsContact NE2-OD1 3.11Å; Q507-D511 WeakPolarHBondContact O-CB 3.5Å; Q507-D511 VanDerWaalsContact O-CG 3.23Å; Q507-D511 PolarHBondContact O-N 3.47Å
508A80.9Confident75.2Confident49 Ų4984.3 Ų84.341%0.40551%0.514SS..Hα-helixtrans-61.2-40.9174.900000111.9E504 S505 D511 V512E504-A508 WeakPolarHBondContact O-CB 3.49Å; E504-A508 PolarHBondContact O-N 3.33Å; S505-A508 PolarHBondContact O-N 2.9Å; A508-D511 PolarHBondContact O-N 3.32Å; A508-V512 WeakPolarHBondContact O-CG2 3.36Å; A508-V512 PolarHBondContact O-N 2.97Å
509L83.4Confident75.7Confident110 Ų11084.7 Ų84.758%0.57651%0.508SS*.Hα-helixtrans-63.4-41.6173.4-95.2158.2000112.7S505 Q506 Q507 D511 V512 S513S505-L509 WeakPolarHBondContact O-CB 3.41Å; S505-L509 PolarHBondContact O-N 3.18Å; Q506-L509 PolarHBondContact O-N 3.48Å; Q507-L509 VanDerWaalsContact C-N 3.32Å; Q507-L509 PolarHBondContact O-N 3.17Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-V512 PolarHBondContact O-N 2.96Å; L509-S513 PolarHBondContact O-N 3.25Å; L509-S513 PolarHBondContact O-OG 2.96Å
510A81.1Confident75.5Confident48 Ų4878.5 Ų78.540%0.39749%0.486SS..Hα-helixtrans-64-39.2175.200000111.3Q506 Q507 S513 G516Q506-A510 WeakPolarHBondContact O-CB 3.33Å; Q506-A510 PolarHBondContact O-N 2.83Å; Q507-A510 PolarHBondContact O-N 3Å; A510-S513 PolarHBondContact O-N 3.34Å; A510-G516 WeakPolarHBondContact O-CA 3.27Å
511D80.3Confident74.7Confident26 Ų2677 Ų7714%0.13949%0.493CS..Hα-helixtrans-66.5-35.8177.5-72.4-12.8000112.5Q507 A508 L509 G516 C517 L518 I519Q507-D511 PolarHBondContact NE2-OD1 3.42Å; Q507-D511 VanDerWaalsContact NE2-OD1 3.11Å; Q507-D511 WeakPolarHBondContact O-CB 3.5Å; Q507-D511 VanDerWaalsContact O-CG 3.23Å; Q507-D511 PolarHBondContact O-N 3.47Å; A508-D511 PolarHBondContact O-N 3.32Å; L509-D511 VanDerWaalsContact C-N 3.32Å; D511-G516 CarbonylContact O-C 3.29Å; D511-G516 VanDerWaalsContact O-C 3.24Å; D511-G516 WeakPolarHBondContact O-CA 3.45Å; D511-C517 PolarHBondContact O-N 3.3Å; D511-C517 PolarHBondContact OD1-SG 3.02Å; D511-L518 HydrophobicContact CB-CD1 3.79Å; D511-L518 HydrophobicContact CB-CG 3.99Å; D511-L518 WeakPolarHBondContact O-CA 3.3Å; D511-L518 WeakPolarHBondContact O-CB 3.44Å; D511-L518 PolarHBondContact O-N 3.31Å; D511-I519 PolarHBondContact O-N 3.35Å
512V80.9Confident73.3Confident68 Ų6883.6 Ų83.641%0.41252%0.515SS..THydrogen-bonded Turntrans-93.56.3177.3-57.40000114.6A508 L509 L518 I519A508-V512 WeakPolarHBondContact O-CG2 3.36Å; A508-V512 PolarHBondContact O-N 2.97Å; L509-V512 PolarHBondContact O-N 2.96Å; V512-L518 HydrophobicContact CG1-CD1 4.26Å; V512-I519 HydrophobicContact CB-CD1 4.21Å; V512-I519 HydrophobicContact CB-CG1 4.21Å; V512-I519 WeakPolarHBondContact O-CD1 3.43Å; V512-I519 VanDerWaalsContact O-CG1 3.27Å; V512-I519 WeakPolarHBondContact O-CG1 3.34Å
513S77.8Confident71.8Confident50 Ų5088 Ų8835%0.3553%0.528SS..SBendtrans-77.8159.7175.7-70.40000111.2L509 A510 G515 G516L509-S513 PolarHBondContact O-N 3.25Å; L509-S513 PolarHBondContact O-OG 2.96Å; A510-S513 PolarHBondContact O-N 3.34Å; S513-G515 PolarHBondContact O-N 3.41Å; S513-G516 WeakPolarHBondContact O-CA 3.29Å; S513-G516 PolarHBondContact O-N 3.19Å
514P71.4Confident69.9Low131 Ų13189 Ų8985%0.85153%0.534SS*.THydrogen-bonded Turntrans-59.27.8178-26.435.6000117.8
515G69.5Low67.7Low78 Ų7892.8 Ų92.880%0.80455%0.551SS**THydrogen-bonded Turntrans-136.312.216700000113.1S513S513-G515 PolarHBondContact O-N 3.41Å
516G70.9Confident65.5Low11 Ų11101.9 Ų101.911%0.11358%0.58CS.*SBendtrans-81.9163.2-178.300000113.2A510 D511 S513 L518 G520A510-G516 WeakPolarHBondContact O-CA 3.27Å; D511-G516 CarbonylContact O-C 3.29Å; D511-G516 VanDerWaalsContact O-C 3.24Å; D511-G516 WeakPolarHBondContact O-CA 3.45Å; S513-G516 WeakPolarHBondContact O-CA 3.29Å; S513-G516 PolarHBondContact O-N 3.19Å; G516-L518 PolarHBondContact O-N 3.42Å; G516-L518 VanDerWaalsContact O-N 3.09Å; G516-G520 PolarHBondContact O-N 2.92Å; G516-G520 VanDerWaalsContact O-N 3.12Å
517C70.3Confident63.4Low92 Ų92101 Ų10162%0.62259%0.588SS**THydrogen-bonded Turntrans-65.9-13.4-174.676.40000114.6D511D511-C517 PolarHBondContact O-N 3.3Å; D511-C517 PolarHBondContact OD1-SG 3.02Å
518L67.1Low61.1Low92 Ų92103.9 Ų103.948%0.48260%0.599SS.*THydrogen-bonded Turntrans-109.6-28-177.7-58.4174.9000114.3D511 V512 G516D511-L518 HydrophobicContact CB-CD1 3.79Å; D511-L518 HydrophobicContact CB-CG 3.99Å; D511-L518 WeakPolarHBondContact O-CA 3.3Å; D511-L518 WeakPolarHBondContact O-CB 3.44Å; D511-L518 PolarHBondContact O-N 3.31Å; V512-L518 HydrophobicContact CG1-CD1 4.26Å; G516-L518 PolarHBondContact O-N 3.42Å; G516-L518 VanDerWaalsContact O-N 3.09Å
519I65.9Low58.7Low99 Ų99107.4 Ų107.451%0.50862%0.618SS.*THydrogen-bonded Turntrans-97.3-19.2178.3-71.9-153.9000113.2D511 V512 G521D511-I519 PolarHBondContact O-N 3.35Å; V512-I519 HydrophobicContact CB-CD1 4.21Å; V512-I519 HydrophobicContact CB-CG1 4.21Å; V512-I519 WeakPolarHBondContact O-CD1 3.43Å; V512-I519 VanDerWaalsContact O-CG1 3.27Å; V512-I519 WeakPolarHBondContact O-CG1 3.34Å; I519-G521 VanDerWaalsContact C-N 3.32Å; I519-G521 PolarHBondContact O-N 3.5Å
520G54.9Low56.4Low46 Ų46107.9 Ų107.947%0.47463%0.629SS.*SBendtrans-67.888.8165.300000110.5G516 K522G516-G520 PolarHBondContact O-N 2.92Å; G516-G520 VanDerWaalsContact O-N 3.12Å; G520-K522 PolarHBondContact O-N 3.16Å
521G47.6Very low53.8Low60 Ų60112.5 Ų112.562%0.61965%0.647SS**  trans-42.3130.7-173.800000113.4I519 L523I519-G521 VanDerWaalsContact C-N 3.32Å; I519-G521 PolarHBondContact O-N 3.5Å; G521-L523 PolarHBondContact O-N 2.59Å
522K48.4Very low51.6Low218 Ų218118.7 Ų118.795%0.94868%0.679SS**SBendtrans-62.462.4167.5-70.7179.5174.81760111.2G520G520-K522 PolarHBondContact O-N 3.16Å
523L45.7Very low49.1Very low164 Ų164123 Ų12386%0.85970%0.7SS**  trans-114.99.3169.7-99.8166.6000112G521G521-L523 PolarHBondContact O-N 2.59Å
524N41.5Very low47.1Very low146 Ų146126 Ų12678%0.78172%0.721SS**SBendtrans-132.5115.4166.5-95.5-7.7000110.4R526N524-R526 PolarHBondContact O-N 3.17Å; N524-R526 VanDerWaalsContact O-N 3.1Å
525E36.9Very low45Very low181 Ų181127 Ų12785%0.84672%0.719SS**  trans-54106.5174-61.5-175.414800110.9
526R36.9Very low43.6Very low231 Ų231132.4 Ų132.487%0.87272%0.723SS**  trans-114.879.5171.6-166.2-179.8-170-171.22.9109.2N524N524-R526 PolarHBondContact O-N 3.17Å; N524-R526 VanDerWaalsContact O-N 3.1Å
527S36.7Very low41.6Very low111 Ų111137.4 Ų137.478%0.77676%0.757SS**  trans-101.99316145.70000108.6
528K35.7Very low40Very low171 Ų171138.8 Ų138.874%0.74377%0.767SS**  trans-86.2131.3153.6-87.9-167.8174.4-172.50107.4
529P30.4Very low38.3Very low123 Ų123141.2 Ų141.280%0.79978%0.78SS**  trans-76.3124.7169.731.6-27.9000107.6
530C33.8Very low36.8Very low120 Ų120146.5 Ų146.581%0.81179%0.794SS**  trans-116.3109.7165.3-67.80000107.3
531D28.3Very low35.8Very low144 Ų144150.2 Ų150.277%0.7780%0.802SS**  trans-56163156.9-67.7-52.9000110.7
532L33.8Very low35.1Very low156 Ų156155.5 Ų155.582%0.81781%0.808SS**  trans103.793166.1-59.7137.5000116.1
533N27.9Very low34.6Very low159 Ų159152.7 Ų152.785%0.8580%0.798SS**  21.2101.5121.5-65-15.6000116.3
534S35Very low34Very low114 Ų114150.9 Ų150.980%0.79780%0.797SS**  trans177.9133.6131.853.10000109.9Q536S534-Q536 PolarHBondContact O-N 3.39Å
535D28.6Very low33.6Very low152 Ų152147.7 Ų147.781%0.81380%0.798SS**  trans-46.5126.5173.3-60.6-57.7000113.1
536Q38.6Very low33.4Very low190 Ų190150.2 Ų150.289%0.88880%0.8SS**  -176.7119.7126.6-98.5162.794.200111.8S534S534-Q536 PolarHBondContact O-N 3.39Å
537S29.8Very low33.2Very low117 Ų117147.3 Ų147.382%0.81880%0.801SS**  trans-41.9127.5164.646.30000114.9
538S36.4Very low33Very low121 Ų121149 Ų14985%0.84680%0.802SS**  trans-151.8127.7146.4-1620000112.5
539L31Very low32.7Very low142 Ų142153.1 Ų153.174%0.74381%0.813SS**  trans-55136179.9-79.4125.9000114.2L541L539-L541 HydrophobicContact CD2-CD1 3.9Å
540R34.9Very low33Very low211 Ų211153.8 Ų153.880%0.79681%0.808SS**  trans-140.3132.5139.8-72.5-158.3-176.8-171.34.1111.3
541L34Very low33.1Very low124 Ų124153 Ų15365%0.64980%0.803SS**  trans-123147.1-167.7-113.9155.5000107.8L539L539-L541 HydrophobicContact CD2-CD1 3.9Å
542F33.7Very low33.3Very low171 Ų171153.7 Ų153.775%0.7581%0.807SS**  trans70.6138.8163.3-77-73.9000118
543E37Very low33.3Very low159 Ų159151.8 Ų151.874%0.74381%0.807SS**  cis-166.11565-161.4165.5-127.100110
544P33.7Very low33.6Very low126 Ų126149.1 Ų149.182%0.81880%0.799SS**  trans-98.5129.5177.732.1-21.2000112.7
545G33.2Very low33.4Very low78 Ų78153.1 Ų153.180%0.80480%0.802SS**  trans-121.8115.1-178.200000113.4
546R31Very low33.7Very low235 Ų235152.1 Ų152.189%0.88780%0.8SS**  trans-29.8150.4164.7-68.5165.5166.6162.3-4.4114.8
547N34.2Very low33.4Very low169 Ų169147.1 Ų147.190%0.90479%0.786SS**  -162.4129.8123.2-91-22.6000114.6
548N32.8Very low33.6Very low147 Ų147148.6 Ų148.679%0.78679%0.785SS**  trans-60.3146.8173.2-80.2-28.1000112.6
549R29.6Very low33.3Very low258 Ų258149.9 Ų149.997%0.97478%0.778SS**  trans-117.2102.3161.4-160.6-178.4-98.9-159.9-4.6108.2
550I35.4Very low33.5Very low136 Ų136150.2 Ų150.270%0.69778%0.775SS**  trans-124.8141.5172.6-70.1175.2000108.1
551S37.1Very low33.7Very low103 Ų103149.8 Ų149.872%0.7278%0.782SS**  trans72.9125166.771.10000116.1
552N32.6Very low33.8Very low160 Ų160147.7 Ų147.786%0.85678%0.782SS**  cis111.5134.731.6-91.7-3.2000109.8
553S32.1Very low33.8Very low116 Ų116146.7 Ų146.781%0.81179%0.785SS**  trans85.6151.5149-98.80000120.8
554P34.6Very low33.8Very low103 Ų103147 Ų14767%0.66979%0.792SS**  -131.3175.7-129.435.3-13.7000114.7
555K30.4Very low34.1Very low198 Ų198148.5 Ų148.586%0.86179%0.793SS**  trans60.3130.4160-69.6178178-178.20117.4
556V35.7Very low34.8Very low130 Ų130150.7 Ų150.779%0.78879%0.791SS**  160.9110.5122.4162.70000108.9
557S33.1Very low35.1Very low85 Ų85147.2 Ų147.259%0.59479%0.789SS**  trans38.3135.5147.262.50000123
558D32.4Very low35.5Very low148 Ų148150.5 Ų150.579%0.79179%0.789SS**  trans65.4139.8142.3-53.2-15.8000117.5
559E31.5Very low36.1Very low149 Ų149146.3 Ų146.370%0.69678%0.781SS**  cis-170.6147.5-10.6-118.1-161.217600103.4
560H35.2Very low37.3Very low149 Ų149139.7 Ų139.769%0.6977%0.771SS**  trans60.586.4158.6-62.180.2000119.8
561H39Very low38.4Very low201 Ų201138.7 Ų138.793%0.93177%0.773SS**  trans-141.9103.4138.1-97.4-63.7000110.4
562A34.8Very low39.6Very low80 Ų80140.1 Ų140.166%0.66177%0.772SS**  trans-75.3151.117200000111.2
563N34.3Very low41.4Very low151 Ų151133.6 Ų133.681%0.80774%0.737SS**  trans88.780.8164.1-50.3-35.4000117
564D37.2Very low43.6Very low166 Ų166131.4 Ų131.489%0.88872%0.719SS**  trans-158.667.7140.5-119.7-5.2000110.1V566D564-V566 PolarHBondContact O-N 2.98Å
565D39.9Very low45.7Very low156 Ų156131.5 Ų131.583%0.83472%0.72SS**  trans-94.393.6177.9-139.7-8.2000108.8N567D565-N567 PolarHBondContact O-N 3.31Å
566V48Very low48.1Very low125 Ų125128.8 Ų128.876%0.75871%0.71SS**  trans-66.2100.1171.9-179.50000107.5D564 R568D564-V566 PolarHBondContact O-N 2.98Å; V566-R568 VanDerWaalsContact C-N 3.35Å; V566-R568 PolarHBondContact O-N 2.62Å
567N37.2Very low50.4Low161 Ų161125 Ų12586%0.86168%0.684SS**  trans-28.184.8174.2-71-73.3000114.1D565 G569D565-N567 PolarHBondContact O-N 3.31Å; N567-G569 PolarHBondContact O-N 3.44Å
568R43.4Very low52.8Low239 Ų239124.6 Ų124.690%0.90268%0.678SS**  trans-70.3115.5157-86.6179.5171.3164.3-1.3105.5V566V566-R568 VanDerWaalsContact C-N 3.35Å; V566-R568 PolarHBondContact O-N 2.62Å
569G45.5Very low55.2Low59 Ų59124.8 Ų124.861%0.60867%0.671SS**PPolyproline II helixtrans-50158.4174.900000112N567N567-G569 PolarHBondContact O-N 3.44Å
570P54.5Low57.7Low118 Ų118121.5 Ų121.577%0.76666%0.659SS**PPolyproline II helixtrans-52.3138.5-176.721-31.8000110.4L572P570-L572 PolarHBondContact O-N 3.37Å
571P57.3Low60.1Low115 Ų115115.4 Ų115.475%0.74763%0.631SS**PPolyproline II helixtrans-54.5126.5-17822.2-32.2000109.6L573P571-L573 PolarHBondContact O-N 2.98Å
572L63.2Low62.4Low133 Ų133108.9 Ų108.970%0.69661%0.608SS**SBendtrans-58.1-19.3-175.9-81.3137.9000113.7P570P570-L572 PolarHBondContact O-N 3.37Å
573L69.4Low64.7Low23 Ų23107.9 Ų107.912%0.1259%0.591CS.*SBendtrans-132.8145-179-64.9170.4000109.3P571 Q577 V578 L581 V632 V666P571-L573 PolarHBondContact O-N 2.98Å; L573-Q577 HydrophobicContact CB-CB 4.06Å; L573-Q577 HydrophobicContact CD2-CB 4.14Å; L573-V578 HydrophobicContact CB-CG2 3.73Å; L573-V578 HydrophobicContact CD1-CG2 4.23Å; L573-L581 HydrophobicContact CD1-CD2 3.91Å; L573-V632 HydrophobicContact CD2-CG1 3.73Å; L573-V632 HydrophobicContact CD2-CG2 4.22Å; L573-V666 HydrophobicContact CD1-CG1 3.77Å; L573-V666 HydrophobicContact CD2-CG1 4.29Å; L573-V666 HydrophobicContact CD2-CG2 4.42Å
574T79.2Confident67.2Low70 Ų70101.3 Ų101.343%0.42956%0.556SS.*  trans-63.1152.516861.30000110E576 Q577 V578T574-E576 PolarHBondContact O-N 2.81Å; T574-E576 VanDerWaalsContact O-N 3.11Å; T574-Q577 PolarHBondContact O-N 3.35Å; T574-Q577 WeakPolarHBondContact OG1-CB 3.32Å; T574-Q577 WeakPolarHBondContact OG1-CG 3.34Å; T574-Q577 PolarHBondContact OG1-N 3.29Å; T574-Q577 PolarHBondContact OG1-OE1 2.92Å; T574-Q577 VanDerWaalsContact OG1-OE1 3.06Å; T574-V578 PolarHBondContact O-N 3.39Å
575P79.2Confident69.7Low105 Ų10596.2 Ų96.268%0.68253%0.525SS*.Hα-helixtrans-58.5-25.6177.123.8-34.5000112.8K579P575-K579 WeakPolarHBondContact O-CG 3.04Å; P575-K579 PolarHBondContact O-N 2.64Å
576E80.1Confident71.9Confident141 Ų14192 Ų9266%0.65951%0.508SS*.Hα-helixtrans-69.7-48.9172.5-170168.1-163.100111.5T574 V578 K579 D580T574-E576 PolarHBondContact O-N 2.81Å; T574-E576 VanDerWaalsContact O-N 3.11Å; E576-V578 VanDerWaalsContact C-N 3.27Å; E576-V578 PolarHBondContact O-N 2.84Å; E576-K579 WeakPolarHBondContact O-CB 3.49Å; E576-K579 PolarHBondContact O-N 3.33Å; E576-D580 PolarHBondContact O-N 3.37Å
577Q82.8Confident73.7Confident52 Ų5286.2 Ų86.224%0.24347%0.473CS..Hα-helixtrans-60.6-33.3174.3-74.3167.1-33.600113.1L573 T574 L581 F628L573-Q577 HydrophobicContact CB-CB 4.06Å; L573-Q577 HydrophobicContact CD2-CB 4.14Å; T574-Q577 PolarHBondContact O-N 3.35Å; T574-Q577 WeakPolarHBondContact OG1-CB 3.32Å; T574-Q577 WeakPolarHBondContact OG1-CG 3.34Å; T574-Q577 PolarHBondContact OG1-N 3.29Å; T574-Q577 PolarHBondContact OG1-OE1 2.92Å; T574-Q577 VanDerWaalsContact OG1-OE1 3.06Å; Q577-L581 WeakPolarHBondContact O-CB 3.37Å; Q577-L581 PolarHBondContact O-N 2.96Å; Q577-F628 HydrophobicContact CB-CZ 4.48Å
578V83.7Confident76.1Confident76 Ų7678.6 Ų78.646%0.46143%0.432SS..Hα-helixtrans-67.5-40.6174.4175.40000111.1L573 T574 E576 L581 S582L573-V578 HydrophobicContact CB-CG2 3.73Å; L573-V578 HydrophobicContact CD1-CG2 4.23Å; T574-V578 PolarHBondContact O-N 3.39Å; E576-V578 VanDerWaalsContact C-N 3.27Å; E576-V578 PolarHBondContact O-N 2.84Å; V578-L581 PolarHBondContact O-N 3.34Å; V578-S582 WeakPolarHBondContact O-CB 3.04Å; V578-S582 PolarHBondContact O-N 2.89Å
579K83.3Confident78.3Confident151 Ų15169.5 Ų69.566%0.65741%0.408SS*.Hα-helixtrans-63.7-45.5174.6-74175.9-178.9-179.60110.9P575 E576 L581 S582 L583P575-K579 WeakPolarHBondContact O-CG 3.04Å; P575-K579 PolarHBondContact O-N 2.64Å; E576-K579 WeakPolarHBondContact O-CB 3.49Å; E576-K579 PolarHBondContact O-N 3.33Å; K579-L581 PolarHBondContact O-N 3.09Å; K579-S582 PolarHBondContact O-N 3.19Å; K579-S582 PolarHBondContact O-OG 3.32Å; K579-L583 PolarHBondContact O-N 3.43Å
580D83.6Confident80.1Confident81 Ų8167.6 Ų67.643%0.43338%0.383SS..Hα-helixtrans-62.2-43.5177-71.6-12.3000112E576 S582 L583 L584 F628E576-D580 PolarHBondContact O-N 3.37Å; D580-S582 VanDerWaalsContact C-N 3.32Å; D580-S582 PolarHBondContact O-N 3.11Å; D580-L583 PolarHBondContact O-N 2.99Å; D580-L584 WeakPolarHBondContact O-CB 3.42Å; D580-L584 PolarHBondContact O-N 3.22Å; D580-F628 HydrophobicContact CB-CD2 4.35Å; D580-F628 HydrophobicContact CB-CE2 3.76Å
581L86.5Confident81.6Confident21 Ų2162 Ų6211%0.1135%0.347CS..Hα-helixtrans-61.6-41.8174.4-176.259.1000111.2L573 Q577 V578 K579 L583 L584 Y585 F628 V666L573-L581 HydrophobicContact CD1-CD2 3.91Å; Q577-L581 WeakPolarHBondContact O-CB 3.37Å; Q577-L581 PolarHBondContact O-N 2.96Å; V578-L581 PolarHBondContact O-N 3.34Å; K579-L581 PolarHBondContact O-N 3.09Å; L581-L583 PolarHBondContact O-N 2.92Å; L581-L584 HydrophobicContact CD1-CD2 4.4Å; L581-L584 WeakPolarHBondContact O-CB 3.48Å; L581-L584 PolarHBondContact O-N 2.82Å; L581-Y585 HydrophobicContact CD1-CD2 3.83Å; L581-Y585 HydrophobicContact CD1-CE2 3.55Å; L581-Y585 HydrophobicContact CD2-CE2 4.21Å; L581-Y585 HydrophobicContact CG-CD2 3.82Å; L581-Y585 HydrophobicContact CG-CE2 3.71Å; L581-Y585 VanDerWaalsContact O-CD2 3.26Å; L581-Y585 WeakPolarHBondContact O-CD2 3.46Å; L581-Y585 PolarHBondContact O-N 3.33Å; L581-F628 HydrophobicContact CB-CE1 4.18Å; L581-F628 HydrophobicContact CB-CZ 3.85Å; L581-F628 HydrophobicContact CD1-CD1 4.41Å; L581-F628 HydrophobicContact CD1-CE1 3.82Å; L581-F628 HydrophobicContact CD1-CZ 4.36Å; L581-F628 HydrophobicContact CG-CE1 4.46Å; L581-V666 HydrophobicContact CD2-CG1 3.73Å
582S86.2Confident83.2Confident64 Ų6456.9 Ų56.945%0.44831%0.313SS..Hα-helixtrans-62.5-42.2176.976.90000112V578 K579 D580 L584 Y585 S586V578-S582 WeakPolarHBondContact O-CB 3.04Å; V578-S582 PolarHBondContact O-N 2.89Å; K579-S582 PolarHBondContact O-N 3.19Å; K579-S582 PolarHBondContact O-OG 3.32Å; D580-S582 VanDerWaalsContact C-N 3.32Å; D580-S582 PolarHBondContact O-N 3.11Å; S582-L584 VanDerWaalsContact C-N 3.33Å; S582-L584 PolarHBondContact O-N 3.29Å; S582-Y585 PolarHBondContact O-N 3.39Å; S582-S586 PolarHBondContact O-N 3.32Å; S582-S586 PolarHBondContact O-OG 2.86Å
583L84.8Confident84.3Confident58 Ų5854.8 Ų54.830%0.30430%0.296SS..Hα-helixtrans-65.4-38.4175.7179.562000111.4A129 K579 D580 L581 S586 S587A129-L583 HydrophobicContact CB-CD1 3.84Å; A129-L583 HydrophobicContact CB-CD2 4.42Å; K579-L583 PolarHBondContact O-N 3.43Å; D580-L583 PolarHBondContact O-N 2.99Å; L581-L583 PolarHBondContact O-N 2.92Å; L583-S586 PolarHBondContact O-N 3.23Å; L583-S587 WeakPolarHBondContact O-CB 3.42Å; L583-S587 PolarHBondContact O-N 3.46Å; L583-S587 PolarHBondContact O-OG 3.02Å
584L86.7Confident85Confident14 Ų1454.3 Ų54.37%0.07329%0.293CS..Hα-helixtrans-62.9-44.9174.8-170.470.7000111.1D580 L581 S582 S587 A588 F620 K624 V625 F628 L670D580-L584 WeakPolarHBondContact O-CB 3.42Å; D580-L584 PolarHBondContact O-N 3.22Å; L581-L584 HydrophobicContact CD1-CD2 4.4Å; L581-L584 WeakPolarHBondContact O-CB 3.48Å; L581-L584 PolarHBondContact O-N 2.82Å; S582-L584 VanDerWaalsContact C-N 3.33Å; S582-L584 PolarHBondContact O-N 3.29Å; L584-S587 PolarHBondContact O-N 2.84Å; L584-A588 VanDerWaalsContact O-CB 3.28Å; L584-A588 WeakPolarHBondContact O-CB 3.3Å; L584-A588 PolarHBondContact O-N 3.26Å; L584-F620 HydrophobicContact CD1-CE1 4.07Å; L584-F620 HydrophobicContact CD1-CE2 4.09Å; L584-F620 HydrophobicContact CD1-CZ 3.44Å; L584-F620 VanDerWaalsContact CD1-CZ 3.44Å; L584-F620 HydrophobicContact CG-CZ 4.13Å; L584-K624 HydrophobicContact CD1-CB 3.61Å; L584-V625 HydrophobicContact CD1-CG2 4.31Å; L584-V625 HydrophobicContact CD2-CG2 4.35Å; L584-F628 HydrophobicContact CD2-CB 4.21Å; L584-F628 HydrophobicContact CD2-CD1 4.23Å; L584-F628 HydrophobicContact CD2-CG 4.24Å; L584-L670 HydrophobicContact CD2-CD2 3.44Å; L584-L670 VanDerWaalsContact CD2-CD2 3.44Å; L584-L670 HydrophobicContact CG-CD2 3.65Å
585Y89.6Confident85.5Confident59 Ų5951 Ų5123%0.23127%0.273CS..Hα-helixtrans-62.8-44.2173.6-89.4-74.2000112.3L581 S582 S587 A588 A589 H669 L670 M673L581-Y585 HydrophobicContact CD1-CD2 3.83Å; L581-Y585 HydrophobicContact CD1-CE2 3.55Å; L581-Y585 HydrophobicContact CD2-CE2 4.21Å; L581-Y585 HydrophobicContact CG-CD2 3.82Å; L581-Y585 HydrophobicContact CG-CE2 3.71Å; L581-Y585 VanDerWaalsContact O-CD2 3.26Å; L581-Y585 WeakPolarHBondContact O-CD2 3.46Å; L581-Y585 PolarHBondContact O-N 3.33Å; S582-Y585 PolarHBondContact O-N 3.39Å; Y585-S587 VanDerWaalsContact C-N 3.33Å; Y585-S587 PolarHBondContact O-N 3.31Å; Y585-A588 PolarHBondContact O-N 3.43Å; Y585-A589 WeakPolarHBondContact O-CB 3.35Å; Y585-A589 PolarHBondContact O-N 2.9Å; Y585-H669 AromaticContact CE1-CD2 3.64Å; Y585-H669 AromaticContact CZ-CD2 3.91Å; Y585-H669 PolarHBondContact OH-CD2 3.29Å; Y585-L670 HydrophobicContact CD1-CD1 3.98Å; Y585-L670 HydrophobicContact CE1-CB 4Å; Y585-L670 HydrophobicContact CE1-CD1 3.96Å; Y585-L670 PolarHBondContact OH-N 3.45Å; Y585-M673 HydrophobicContact CE1-SD 4.33Å
586S85.6Confident86.1Confident68 Ų6851.4 Ų51.448%0.47626%0.261SS..Hα-helixtrans-60.7-42.8176.5-64.60000111.9S582 L583 E590S582-S586 PolarHBondContact O-N 3.32Å; S582-S586 PolarHBondContact O-OG 2.86Å; L583-S586 PolarHBondContact O-N 3.23Å; S586-E590 WeakPolarHBondContact O-CB 3.49Å; S586-E590 PolarHBondContact O-N 3.2Å; S586-E590 VanDerWaalsContact O-N 3.11Å
587S85.2Confident86.4Confident3 Ų347.8 Ų47.82%0.02126%0.255CS..Hα-helixtrans-66.2-43.3178-560000111.7L583 L584 Y585 E590 L591L583-S587 WeakPolarHBondContact O-CB 3.42Å; L583-S587 PolarHBondContact O-N 3.46Å; L583-S587 PolarHBondContact O-OG 3.02Å; L584-S587 PolarHBondContact O-N 2.84Å; Y585-S587 VanDerWaalsContact C-N 3.33Å; Y585-S587 PolarHBondContact O-N 3.31Å; S587-E590 PolarHBondContact O-N 2.98Å; S587-L591 PolarHBondContact O-N 3.17Å; S587-L591 VanDerWaalsContact O-N 3.1Å
588A88.6Confident86.5Confident0 Ų045.3 Ų45.30%024%0.244CC..Hα-helixtrans-70.2-40.8178.300000113L584 Y585 E590 L591 L592 F620 L670L584-A588 VanDerWaalsContact O-CB 3.28Å; L584-A588 WeakPolarHBondContact O-CB 3.3Å; L584-A588 PolarHBondContact O-N 3.26Å; Y585-A588 PolarHBondContact O-N 3.43Å; A588-E590 VanDerWaalsContact C-N 3.25Å; A588-E590 PolarHBondContact O-N 2.95Å; A588-L591 WeakPolarHBondContact O-CB 3.26Å; A588-L591 PolarHBondContact O-N 3.12Å; A588-L592 WeakPolarHBondContact O-CB 3.48Å; A588-L592 VanDerWaalsContact O-CG 3.23Å; A588-L592 WeakPolarHBondContact O-CG 3.08Å; A588-L592 PolarHBondContact O-N 2.82Å; A588-F620 HydrophobicContact CB-CE1 3.58Å; A588-F620 HydrophobicContact CB-CZ 3.88Å; A588-L670 HydrophobicContact CB-CD1 3.42Å; A588-L670 VanDerWaalsContact CB-CD1 3.42Å
589A88.6Confident86.7Confident49 Ų4943.7 Ų43.741%0.40523%0.231SC..Hα-helixtrans-60.9-39.5176.300000110.4Y585 L592 R593Y585-A589 WeakPolarHBondContact O-CB 3.35Å; Y585-A589 PolarHBondContact O-N 2.9Å; A589-L592 PolarHBondContact O-N 3.49Å; A589-R593 VanDerWaalsContact O-CB 3.28Å; A589-R593 WeakPolarHBondContact O-CB 3.46Å; A589-R593 PolarHBondContact O-N 3.5Å
590E83.6Confident86.9Confident18 Ų1841.5 Ų41.58%0.08423%0.231CC..Hα-helixtrans-70.7-39.1178.1-172.453.5-155.500112.8L130 L134 R148 S586 S587 A588 R593 H594L130-E590 HydrophobicContact CD1-CB 4.28Å; L130-E590 HydrophobicContact CD2-CG 4.4Å; L134-E590 HydrophobicContact CD1-CB 4.11Å; L134-E590 HydrophobicContact CD1-CG 3.53Å; R148-E590 VanDerWaalsContact CZ-CG 3.46Å; R148-E590 IonicContact CZ-OE1 2.9Å; R148-E590 IonicContact NE-OE1 3.91Å; R148-E590 PolarHBondContact NE-OE1 3.4Å; R148-E590 IonicContact NH1-OE1 3.83Å; R148-E590 IonicContact NH2-OE1 2.65Å; R148-E590 PolarHBondContact NH2-OE1 2.93Å; S586-E590 WeakPolarHBondContact O-CB 3.49Å; S586-E590 PolarHBondContact O-N 3.2Å; S586-E590 VanDerWaalsContact O-N 3.11Å; S587-E590 PolarHBondContact O-N 2.98Å; A588-E590 VanDerWaalsContact C-N 3.25Å; A588-E590 PolarHBondContact O-N 2.95Å; E590-R593 WeakPolarHBondContact O-CB 3.45Å; E590-R593 PolarHBondContact O-N 3.49Å; E590-R593 IonicContact OE1-CZ 3.74Å; E590-R593 IonicContact OE1-NE 3.87Å; E590-R593 PolarHBondContact OE1-NE 3.45Å; E590-R593 VanDerWaalsContact OE1-NE 3.09Å; E590-R593 IonicContact OE1-NH2 2.66Å; E590-R593 PolarHBondContact OE1-NH2 2.83Å; E590-R593 IonicContact OE2-CZ 3.27Å; E590-R593 IonicContact OE2-NE 3.6Å; E590-R593 PolarHBondContact OE2-NE 3.46Å; E590-R593 IonicContact OE2-NH2 3.72Å; E590-H594 PolarHBondContact O-CD2 3.49Å; E590-H594 VanDerWaalsContact O-CD2 3.25Å; E590-H594 PolarHBondContact O-N 2.69Å; E590-H594 IonicContact OE1-CD2 3.66Å; E590-H594 IonicContact OE1-CE1 2.79Å; E590-H594 IonicContact OE1-NE2 3.7Å; E590-H594 PolarHBondContact OE1-NE2 2.92Å; E590-H594 VanDerWaalsContact OE1-NE2 3.13Å
591L87.2Confident87Confident2 Ų239.5 Ų39.51%0.0122%0.222CC..Hα-helixtrans-57.9-48.5169.2-89.2172.8000112.2L134 I139 S587 A588 R593 H594 F595 L617 F620L134-L591 HydrophobicContact CD2-CD2 4.46Å; L134-L591 HydrophobicContact CD2-CG 4.02Å; I139-L591 HydrophobicContact CD1-CD1 4.29Å; I139-L591 HydrophobicContact CD1-CD2 4.5Å; I139-L591 HydrophobicContact CG2-CD2 3.16Å; I139-L591 HydrophobicContact CG2-CG 4.15Å; S587-L591 PolarHBondContact O-N 3.17Å; S587-L591 VanDerWaalsContact O-N 3.1Å; A588-L591 WeakPolarHBondContact O-CB 3.26Å; A588-L591 PolarHBondContact O-N 3.12Å; L591-R593 VanDerWaalsContact C-N 3.33Å; L591-H594 PolarHBondContact O-N 2.88Å; L591-F595 WeakPolarHBondContact O-CB 3.49Å; L591-F595 PolarHBondContact O-N 3.4Å; L591-L617 HydrophobicContact CB-CD2 3.82Å; L591-L617 HydrophobicContact CD1-CD2 4.36Å; L591-F620 HydrophobicContact CD1-CB 3.65Å; L591-F620 HydrophobicContact CD1-CD1 3.96Å; L591-F620 HydrophobicContact CD1-CD2 3.64Å; L591-F620 HydrophobicContact CD1-CE2 4.26Å; L591-F620 HydrophobicContact CD1-CG 3.46Å; L591-F620 VanDerWaalsContact CD1-CG 3.46Å
592L90.3Very high87Confident7 Ų743.8 Ų43.84%0.03725%0.25CC..Hα-helixtrans-66.5-35.7178.4-71.6169.6000111.3A588 A589 F595 W596 L617 M673 L674 A677A588-L592 WeakPolarHBondContact O-CB 3.48Å; A588-L592 VanDerWaalsContact O-CG 3.23Å; A588-L592 WeakPolarHBondContact O-CG 3.08Å; A588-L592 PolarHBondContact O-N 2.82Å; A589-L592 PolarHBondContact O-N 3.49Å; L592-F595 WeakPolarHBondContact O-CB 3.36Å; L592-F595 PolarHBondContact O-N 3.38Å; L592-W596 WeakPolarHBondContact O-CB 3.08Å; L592-W596 PolarHBondContact O-N 3.41Å; L592-L617 HydrophobicContact CD2-CD2 4.05Å; L592-L617 HydrophobicContact CG-CD2 4.32Å; L592-M673 HydrophobicContact CD1-CB 3.79Å; L592-M673 HydrophobicContact CD1-CE 3.7Å; L592-L674 HydrophobicContact CD2-CD2 4.49Å; L592-A677 HydrophobicContact CD2-CB 3.5Å
593R87Confident87Confident89 Ų8943.6 Ų43.634%0.33625%0.246SC..Hα-helixtrans-61.2-45.9174.1-167.7-173.474.684.64110.9A589 E590 L591 F595 A597A589-R593 VanDerWaalsContact O-CB 3.28Å; A589-R593 WeakPolarHBondContact O-CB 3.46Å; A589-R593 PolarHBondContact O-N 3.5Å; E590-R593 WeakPolarHBondContact O-CB 3.45Å; E590-R593 PolarHBondContact O-N 3.49Å; E590-R593 IonicContact OE1-CZ 3.74Å; E590-R593 IonicContact OE1-NE 3.87Å; E590-R593 PolarHBondContact OE1-NE 3.45Å; E590-R593 VanDerWaalsContact OE1-NE 3.09Å; E590-R593 IonicContact OE1-NH2 2.66Å; E590-R593 PolarHBondContact OE1-NH2 2.83Å; E590-R593 IonicContact OE2-CZ 3.27Å; E590-R593 IonicContact OE2-NE 3.6Å; E590-R593 PolarHBondContact OE2-NE 3.46Å; E590-R593 IonicContact OE2-NH2 3.72Å; L591-R593 VanDerWaalsContact C-N 3.33Å; R593-F595 VanDerWaalsContact C-N 3.34Å; R593-A597 WeakPolarHBondContact O-CB 3.21Å; R593-A597 PolarHBondContact O-N 2.76Å
594H83.3Confident87.1Confident13 Ų1345.1 Ų45.16%0.0626%0.259CS..Hα-helixtrans-63.8-39.2173.9-76.8-57.6000112.5L140 R148 E590 L591 C598 V613L140-H594 VanDerWaalsContact CD2-NE2 3.33Å; L140-H594 WeakPolarHBondContact CD2-NE2 3.46Å; R148-H594 PolarHBondContact NH2-NE2 3.2Å; E590-H594 PolarHBondContact O-CD2 3.49Å; E590-H594 VanDerWaalsContact O-CD2 3.25Å; E590-H594 PolarHBondContact O-N 2.69Å; E590-H594 IonicContact OE1-CD2 3.66Å; E590-H594 IonicContact OE1-CE1 2.79Å; E590-H594 IonicContact OE1-NE2 3.7Å; E590-H594 PolarHBondContact OE1-NE2 2.92Å; E590-H594 VanDerWaalsContact OE1-NE2 3.13Å; L591-H594 PolarHBondContact O-N 2.88Å; H594-C598 PolarHBondContact O-N 3.36Å; H594-C598 PolarHBondContact O-SG 2.95Å; H594-V613 HydrophobicContact CB-CG2 4.37Å
595F89.7Confident86.9Confident0 Ų050.7 Ų50.70%029%0.285CS..Hα-helixtrans-62-52.5176.3178.3-95.7000111.8L591 L592 R593 A597 C598 F599 L610 V613 L617 A677 K680L591-F595 WeakPolarHBondContact O-CB 3.49Å; L591-F595 PolarHBondContact O-N 3.4Å; L592-F595 WeakPolarHBondContact O-CB 3.36Å; L592-F595 PolarHBondContact O-N 3.38Å; R593-F595 VanDerWaalsContact C-N 3.34Å; F595-A597 VanDerWaalsContact C-N 3.35Å; F595-A597 PolarHBondContact O-N 3.21Å; F595-C598 WeakPolarHBondContact O-CB 3.33Å; F595-C598 PolarHBondContact O-N 2.94Å; F595-C598 VanDerWaalsContact O-N 3.09Å; F595-F599 HydrophobicContact CD1-CE2 4.19Å; F595-F599 HydrophobicContact CE1-CD2 4.24Å; F595-F599 AromaticContact CE1-CE2 3.61Å; F595-F599 HydrophobicContact CE1-CE2 3.61Å; F595-F599 AromaticContact CE2-CE2 4Å; F595-F599 HydrophobicContact CE2-CE2 4Å; F595-F599 AromaticContact CZ-CE2 3.5Å; F595-F599 HydrophobicContact CZ-CE2 3.5Å; F595-F599 VanDerWaalsContact CZ-CE2 3.5Å; F595-F599 HydrophobicContact CZ-CZ 4.09Å; F595-F599 WeakPolarHBondContact O-CD2 3.49Å; F595-L610 HydrophobicContact CD2-CD1 3.64Å; F595-L610 HydrophobicContact CE2-CD1 3.45Å; F595-L610 VanDerWaalsContact CE2-CD1 3.45Å; F595-L610 HydrophobicContact CZ-CD1 4.24Å; F595-V613 HydrophobicContact CB-CG1 3.77Å; F595-V613 HydrophobicContact CD2-CG1 4.26Å; F595-L617 HydrophobicContact CB-CD1 4.04Å; F595-L617 HydrophobicContact CD2-CD1 3.61Å; F595-L617 HydrophobicContact CE2-CD1 4.26Å; F595-L617 HydrophobicContact CG-CD1 3.88Å; F595-A677 HydrophobicContact CD1-CB 3.78Å; F595-A677 HydrophobicContact CE1-CB 3.6Å; F595-A677 HydrophobicContact CE2-CB 4.5Å; F595-A677 HydrophobicContact CG-CB 4.31Å; F595-A677 HydrophobicContact CZ-CB 3.99Å; F595-A677 WeakPolarHBondContact CZ-O 3.22Å; F595-K680 HydrophobicContact CE1-CB 4.26Å; F595-K680 HydrophobicContact CE1-CG 4.48Å; F595-K680 HydrophobicContact CZ-CB 4.26Å
596W90.8Very high86.7Confident113 Ų11349.4 Ų49.443%0.42828%0.282SS..Hα-helixtrans-69.7-30.6-179.5-69.3117.1000112.8L592 C598 F599 K680L592-W596 WeakPolarHBondContact O-CB 3.08Å; L592-W596 PolarHBondContact O-N 3.41Å; W596-C598 PolarHBondContact O-N 3.22Å; W596-F599 HydrophobicContact CE3-CD2 4.27Å; W596-F599 PolarHBondContact O-N 3.21Å; W596-K680 HydrophobicContact CH2-CB 4.01Å; W596-K680 HydrophobicContact CH2-CG 3.96Å; W596-K680 HydrophobicContact CZ3-CB 4.39Å; W596-K680 HydrophobicContact CZ3-CD 4.49Å; W596-K680 HydrophobicContact CZ3-CG 3.84Å
597A86.7Confident86.8Confident66 Ų6646.8 Ų46.855%0.54526%0.264SS..Hα-helixtrans-65.7-17.3171.700000113.3R593 F595 F599R593-A597 WeakPolarHBondContact O-CB 3.21Å; R593-A597 PolarHBondContact O-N 2.76Å; F595-A597 VanDerWaalsContact C-N 3.35Å; F595-A597 PolarHBondContact O-N 3.21Å; A597-F599 VanDerWaalsContact C-N 3.28Å
598C86.1Confident86.8Confident0 Ų051.7 Ų51.70%029%0.29CS..THydrogen-bonded Turntrans-78.1-13171.2-600000112.9H594 F595 W596 P600 V601 L606 L610H594-C598 PolarHBondContact O-N 3.36Å; H594-C598 PolarHBondContact O-SG 2.95Å; F595-C598 WeakPolarHBondContact O-CB 3.33Å; F595-C598 PolarHBondContact O-N 2.94Å; F595-C598 VanDerWaalsContact O-N 3.09Å; W596-C598 PolarHBondContact O-N 3.22Å; C598-P600 CarbonylContact O-C 3.58Å; C598-V601 VanDerWaalsContact O-CA 3.29Å; C598-V601 WeakPolarHBondContact O-CA 3.24Å; C598-V601 WeakPolarHBondContact O-CG2 3.24Å; C598-V601 PolarHBondContact O-N 3.24Å; C598-V601 VanDerWaalsContact O-N 3.16Å; C598-L606 HydrophobicContact CB-CD1 3.85Å; C598-L606 HydrophobicContact CB-CG 3.87Å; C598-L606 VanDerWaalsContact O-CD2 3.23Å; C598-L606 WeakPolarHBondContact O-CD2 3.32Å; C598-L610 HydrophobicContact CB-CB 4.12Å; C598-L610 HydrophobicContact CB-CD1 4.15Å
599F88.2Confident86.6Confident42 Ų4253.9 Ų53.918%0.18430%0.3CS..  trans-101.8131.3177.1-69.3-81.9000110.8F595 W596 A597 V601 L610 K680 W684F595-F599 HydrophobicContact CD1-CE2 4.19Å; F595-F599 HydrophobicContact CE1-CD2 4.24Å; F595-F599 AromaticContact CE1-CE2 3.61Å; F595-F599 HydrophobicContact CE1-CE2 3.61Å; F595-F599 AromaticContact CE2-CE2 4Å; F595-F599 HydrophobicContact CE2-CE2 4Å; F595-F599 AromaticContact CZ-CE2 3.5Å; F595-F599 HydrophobicContact CZ-CE2 3.5Å; F595-F599 VanDerWaalsContact CZ-CE2 3.5Å; F595-F599 HydrophobicContact CZ-CZ 4.09Å; F595-F599 WeakPolarHBondContact O-CD2 3.49Å; W596-F599 HydrophobicContact CE3-CD2 4.27Å; W596-F599 PolarHBondContact O-N 3.21Å; A597-F599 VanDerWaalsContact C-N 3.28Å; F599-V601 HydrophobicContact CD1-CG2 4.12Å; F599-V601 HydrophobicContact CE1-CG2 4.11Å; F599-L610 HydrophobicContact CD2-CD1 4.5Å; F599-L610 HydrophobicContact CE1-CD2 4.11Å; F599-L610 HydrophobicContact CE2-CD1 3.56Å; F599-L610 HydrophobicContact CE2-CD2 4.12Å; F599-L610 HydrophobicContact CZ-CD1 3.84Å; F599-L610 HydrophobicContact CZ-CD2 3.58Å; F599-L610 HydrophobicContact CZ-CG 4.38Å; F599-K680 HydrophobicContact CE1-CG 4.28Å; F599-K680 HydrophobicContact CE2-CG 4.23Å; F599-K680 HydrophobicContact CZ-CG 3.98Å; F599-W684 HydrophobicContact CE1-CB 3.99Å; F599-W684 HydrophobicContact CE1-CG 4.01Å; F599-W684 HydrophobicContact CZ-CB 4.24Å; F599-W684 HydrophobicContact CZ-CG 4.43Å
600P85.7Confident86.7Confident104 Ų10451.5 Ų51.568%0.67528%0.28SS*.SBendcis-72.8138.9-2.229.6-33.6000112.8C598 T602C598-P600 CarbonylContact O-C 3.58Å; P600-T602 HydrophobicContact CB-CG2 4.42Å; P600-T602 HydrophobicContact CG-CG2 4.23Å; P600-T602 PolarHBondContact O-N 2.75Å
601V86.4Confident86.9Confident39 Ų3953.9 Ų53.924%0.23629%0.293CS..  trans-74.591.3179-174.50000108.9C598 F599 L606 A607 L610 W684C598-V601 VanDerWaalsContact O-CA 3.29Å; C598-V601 WeakPolarHBondContact O-CA 3.24Å; C598-V601 WeakPolarHBondContact O-CG2 3.24Å; C598-V601 PolarHBondContact O-N 3.24Å; C598-V601 VanDerWaalsContact O-N 3.16Å; F599-V601 HydrophobicContact CD1-CG2 4.12Å; F599-V601 HydrophobicContact CE1-CG2 4.11Å; V601-L606 HydrophobicContact CG1-CB 4.3Å; V601-A607 HydrophobicContact CG1-CB 3.88Å; V601-L610 HydrophobicContact CG2-CD2 3.64Å; V601-W684 HydrophobicContact CG1-CZ2 4.11Å; V601-W684 HydrophobicContact CG2-CZ2 4.4Å
602T86.6Confident86.8Confident112 Ų11259.2 Ų59.269%0.68731%0.314SS*.  trans-94.6-20.8-175.551.30000113.8P600P600-T602 HydrophobicContact CB-CG2 4.42Å; P600-T602 HydrophobicContact CG-CG2 4.23Å; P600-T602 PolarHBondContact O-N 2.75Å
603T87.1Confident86.7Confident60 Ų6059.1 Ų59.137%0.36831%0.313SS..SBendtrans-128.8150.5-175.265.40000111.7Q605 L606 A607T603-Q605 VanDerWaalsContact C-N 3.25Å; T603-Q605 PolarHBondContact O-N 2.91Å; T603-L606 WeakPolarHBondContact O-CB 3.43Å; T603-L606 PolarHBondContact O-N 3.13Å; T603-L606 WeakPolarHBondContact OG1-CB 3.14Å; T603-L606 PolarHBondContact OG1-N 2.88Å; T603-A607 PolarHBondContact O-N 3.16Å
604P85.7Confident86.8Confident90 Ų9055.2 Ų55.258%0.58430%0.3SS*.Hα-helixtrans-62.5-32.9178.624.2-33.4000112.3L606 A607 D608P604-L606 PolarHBondContact O-N 2.84Å; P604-A607 WeakPolarHBondContact O-CB 3.44Å; P604-A607 PolarHBondContact O-N 3.47Å; P604-A607 VanDerWaalsContact O-N 3.13Å; P604-D608 PolarHBondContact O-N 3.24Å
605Q83.4Confident87Confident131 Ų13157 Ų5761%0.61232%0.317SS*.Hα-helixtrans-63.4-30.3174.7-59.185.30.500112.1T603 K609T603-Q605 VanDerWaalsContact C-N 3.25Å; T603-Q605 PolarHBondContact O-N 2.91Å; Q605-K609 WeakPolarHBondContact O-CB 3.28Å; Q605-K609 PolarHBondContact O-N 2.94Å
606L84.6Confident86.8Confident31 Ų3157.4 Ų57.416%0.16232%0.32CS..Hα-helixtrans-76.4-31.2177-159.457.9000111.7C598 V601 T603 P604 K609 L610C598-L606 HydrophobicContact CB-CD1 3.85Å; C598-L606 HydrophobicContact CB-CG 3.87Å; C598-L606 VanDerWaalsContact O-CD2 3.23Å; C598-L606 WeakPolarHBondContact O-CD2 3.32Å; V601-L606 HydrophobicContact CG1-CB 4.3Å; T603-L606 WeakPolarHBondContact O-CB 3.43Å; T603-L606 PolarHBondContact O-N 3.13Å; T603-L606 WeakPolarHBondContact OG1-CB 3.14Å; T603-L606 PolarHBondContact OG1-N 2.88Å; P604-L606 PolarHBondContact O-N 2.84Å; L606-K609 HydrophobicContact CD1-CD 4.31Å; L606-K609 PolarHBondContact O-N 3.46Å; L606-L610 VanDerWaalsContact O-CB 3.28Å; L606-L610 WeakPolarHBondContact O-CB 3.4Å; L606-L610 PolarHBondContact O-N 3.06Å
607A87.1Confident86.7Confident14 Ų1452.2 Ų52.212%0.11630%0.3CS..Hα-helixtrans-65.1-48.717100000111.2V601 T603 P604 K609 L610 D611 W684V601-A607 HydrophobicContact CG1-CB 3.88Å; T603-A607 PolarHBondContact O-N 3.16Å; P604-A607 WeakPolarHBondContact O-CB 3.44Å; P604-A607 PolarHBondContact O-N 3.47Å; P604-A607 VanDerWaalsContact O-N 3.13Å; A607-K609 VanDerWaalsContact C-N 3.25Å; A607-K609 PolarHBondContact O-N 3.19Å; A607-L610 WeakPolarHBondContact O-CB 3.49Å; A607-L610 PolarHBondContact O-N 2.78Å; A607-L610 VanDerWaalsContact O-N 3.08Å; A607-D611 PolarHBondContact O-N 3.44Å; A607-W684 HydrophobicContact CB-CH2 3.99Å; A607-W684 HydrophobicContact CB-CZ2 3.97Å
608D85.9Confident86.7Confident105 Ų10552.2 Ų52.256%0.56129%0.294SS*.Hα-helixtrans-59.9-38.3175.4-68.3-22.6000111.7P604 R612P604-D608 PolarHBondContact O-N 3.24Å; D608-R612 WeakPolarHBondContact O-CG 3.37Å; D608-R612 PolarHBondContact O-N 2.84Å
609K85.5Confident86.7Confident46 Ų4660 Ų6020%0.232%0.323CS..Hα-helixtrans-66.5-43.1174.6-173.7175.2-177.11740111.7Q605 L606 A607 D611 R612 V613Q605-K609 WeakPolarHBondContact O-CB 3.28Å; Q605-K609 PolarHBondContact O-N 2.94Å; L606-K609 HydrophobicContact CD1-CD 4.31Å; L606-K609 PolarHBondContact O-N 3.46Å; A607-K609 VanDerWaalsContact C-N 3.25Å; A607-K609 PolarHBondContact O-N 3.19Å; K609-D611 VanDerWaalsContact C-N 3.34Å; K609-D611 PolarHBondContact O-N 3.46Å; K609-R612 PolarHBondContact O-N 3.34Å; K609-V613 HydrophobicContact CG-CG2 4.26Å; K609-V613 VanDerWaalsContact O-CG2 3.27Å; K609-V613 WeakPolarHBondContact O-CG2 3.29Å; K609-V613 PolarHBondContact O-N 3.43Å
610L89.2Confident86.6Confident0 Ų058.4 Ų58.40%032%0.316CS..Hα-helixtrans-59.6-45178.2177.361.5000111.2F595 C598 F599 V601 L606 A607 R612 V613 A614 Y681 W684F595-L610 HydrophobicContact CD2-CD1 3.64Å; F595-L610 HydrophobicContact CE2-CD1 3.45Å; F595-L610 VanDerWaalsContact CE2-CD1 3.45Å; F595-L610 HydrophobicContact CZ-CD1 4.24Å; C598-L610 HydrophobicContact CB-CB 4.12Å; C598-L610 HydrophobicContact CB-CD1 4.15Å; F599-L610 HydrophobicContact CD2-CD1 4.5Å; F599-L610 HydrophobicContact CE1-CD2 4.11Å; F599-L610 HydrophobicContact CE2-CD1 3.56Å; F599-L610 HydrophobicContact CE2-CD2 4.12Å; F599-L610 HydrophobicContact CZ-CD1 3.84Å; F599-L610 HydrophobicContact CZ-CD2 3.58Å; F599-L610 HydrophobicContact CZ-CG 4.38Å; V601-L610 HydrophobicContact CG2-CD2 3.64Å; L606-L610 VanDerWaalsContact O-CB 3.28Å; L606-L610 WeakPolarHBondContact O-CB 3.4Å; L606-L610 PolarHBondContact O-N 3.06Å; A607-L610 WeakPolarHBondContact O-CB 3.49Å; A607-L610 PolarHBondContact O-N 2.78Å; A607-L610 VanDerWaalsContact O-N 3.08Å; L610-R612 PolarHBondContact O-N 2.61Å; L610-V613 PolarHBondContact O-N 3.48Å; L610-A614 WeakPolarHBondContact O-CB 3.14Å; L610-A614 PolarHBondContact O-N 2.94Å; L610-Y681 HydrophobicContact CD1-CD2 4.23Å; L610-Y681 HydrophobicContact CD2-CD2 4.29Å; L610-Y681 HydrophobicContact CG-CD2 3.95Å; L610-Y681 HydrophobicContact CG-CE2 4.13Å; L610-W684 HydrophobicContact CD2-CD2 3.58Å; L610-W684 HydrophobicContact CD2-CE3 3.57Å; L610-W684 HydrophobicContact CD2-CG 4.15Å; L610-W684 HydrophobicContact CD2-CH2 4.15Å; L610-W684 HydrophobicContact CD2-CZ2 4.17Å; L610-W684 HydrophobicContact CD2-CZ3 3.85Å
611D88.7Confident86.7Confident67 Ų6756 Ų5636%0.35829%0.294SS..Hα-helixtrans-61.2-44.6176.4-75.8-7000111.8A607 K609 V613 A614 A615 Y681A607-D611 PolarHBondContact O-N 3.44Å; K609-D611 VanDerWaalsContact C-N 3.34Å; K609-D611 PolarHBondContact O-N 3.46Å; D611-V613 PolarHBondContact O-N 3.01Å; D611-A614 PolarHBondContact O-N 3.17Å; D611-A615 WeakPolarHBondContact O-CB 3.27Å; D611-A615 PolarHBondContact O-N 3.41Å; D611-Y681 WeakPolarHBondContact OD1-CE2 3.35Å; D611-Y681 PolarHBondContact OD1-OH 2.88Å
612R85.5Confident86.7Confident115 Ų11558.5 Ų58.543%0.43431%0.309SS..Hα-helixtrans-60.4-44.3175-73.7-172.1-63.8133.2-0.2112E144 D608 K609 L610 S616E144-R612 IonicContact OE1-CZ 2.94Å; E144-R612 IonicContact OE1-NH1 2.65Å; E144-R612 PolarHBondContact OE1-NH1 3.36Å; E144-R612 IonicContact OE1-NH2 3.63Å; E144-R612 PolarHBondContact OE1-NH2 3.21Å; E144-R612 IonicContact OE2-NH1 3.57Å; E144-R612 PolarHBondContact OE2-NH1 3.27Å; D608-R612 WeakPolarHBondContact O-CG 3.37Å; D608-R612 PolarHBondContact O-N 2.84Å; K609-R612 PolarHBondContact O-N 3.34Å; L610-R612 PolarHBondContact O-N 2.61Å; R612-S616 WeakPolarHBondContact O-CB 3.48Å; R612-S616 PolarHBondContact O-N 3.41Å; R612-S616 PolarHBondContact O-OG 3.3Å
613V87.3Confident86.5Confident5 Ų557.4 Ų57.43%0.0330%0.302CS..Hα-helixtrans-70.5-38.5-179.4175.50000111.1H594 F595 K609 L610 D611 S616 L617H594-V613 HydrophobicContact CB-CG2 4.37Å; F595-V613 HydrophobicContact CB-CG1 3.77Å; F595-V613 HydrophobicContact CD2-CG1 4.26Å; K609-V613 HydrophobicContact CG-CG2 4.26Å; K609-V613 VanDerWaalsContact O-CG2 3.27Å; K609-V613 WeakPolarHBondContact O-CG2 3.29Å; K609-V613 PolarHBondContact O-N 3.43Å; L610-V613 PolarHBondContact O-N 3.48Å; D611-V613 PolarHBondContact O-N 3.01Å; V613-S616 CarbonylContact O-C 3.49Å; V613-S616 WeakPolarHBondContact O-CB 3.24Å; V613-S616 PolarHBondContact O-N 3.49Å; V613-L617 HydrophobicContact CG1-CD1 4.31Å; V613-L617 HydrophobicContact CG1-CG 4.48Å; V613-L617 WeakPolarHBondContact O-CG 3.45Å; V613-L617 PolarHBondContact O-N 3.04Å
614A88.9Confident86.3Confident7 Ų758.1 Ų58.16%0.05830%0.3CS..Hα-helixtrans-65.6-41.3176.900000112.6L610 D611 S616 L617 T618 Y681L610-A614 WeakPolarHBondContact O-CB 3.14Å; L610-A614 PolarHBondContact O-N 2.94Å; D611-A614 PolarHBondContact O-N 3.17Å; A614-S616 VanDerWaalsContact C-N 3.28Å; A614-S616 PolarHBondContact O-N 3.03Å; A614-L617 PolarHBondContact O-N 3.08Å; A614-T618 PolarHBondContact O-N 3.07Å; A614-T618 PolarHBondContact O-OG1 2.86Å; A614-T618 VanDerWaalsContact O-OG1 3.05Å; A614-Y681 HydrophobicContact CB-CD1 3.75Å; A614-Y681 HydrophobicContact CB-CD2 3.56Å; A614-Y681 HydrophobicContact CB-CE1 3.69Å; A614-Y681 HydrophobicContact CB-CE2 3.52Å; A614-Y681 HydrophobicContact CB-CG 3.67Å
615A87.8Confident86.3Confident50 Ų5053.9 Ų53.941%0.41327%0.272SS..Hα-helixtrans-61.3-40.1171.500000111.3D611 T618 R619D611-A615 WeakPolarHBondContact O-CB 3.27Å; D611-A615 PolarHBondContact O-N 3.41Å; A615-T618 PolarHBondContact O-N 3.32Å; A615-R619 WeakPolarHBondContact O-CG 3.48Å; A615-R619 PolarHBondContact O-N 3.19Å
616S85.5Confident86.3Confident8 Ų851.9 Ų51.96%0.05627%0.265CS..Hα-helixtrans-66.6-41.4177.9-62.40000113.2R612 V613 A614 T618 R619 F620R612-S616 WeakPolarHBondContact O-CB 3.48Å; R612-S616 PolarHBondContact O-N 3.41Å; R612-S616 PolarHBondContact O-OG 3.3Å; V613-S616 CarbonylContact O-C 3.49Å; V613-S616 WeakPolarHBondContact O-CB 3.24Å; V613-S616 PolarHBondContact O-N 3.49Å; A614-S616 VanDerWaalsContact C-N 3.28Å; A614-S616 PolarHBondContact O-N 3.03Å; S616-T618 VanDerWaalsContact C-N 3.29Å; S616-T618 PolarHBondContact O-N 3.18Å; S616-R619 PolarHBondContact O-N 3.39Å; S616-F620 WeakPolarHBondContact O-CB 3.46Å; S616-F620 PolarHBondContact O-N 3.47Å
617L88.1Confident86.2Confident4 Ų457.3 Ų57.32%0.02129%0.289CS..Hα-helixtrans-58.6-41.8173.7-78.3166.9000111.5L591 L592 F595 V613 A614 F620 R621 L674 A677L591-L617 HydrophobicContact CB-CD2 3.82Å; L591-L617 HydrophobicContact CD1-CD2 4.36Å; L592-L617 HydrophobicContact CD2-CD2 4.05Å; L592-L617 HydrophobicContact CG-CD2 4.32Å; F595-L617 HydrophobicContact CB-CD1 4.04Å; F595-L617 HydrophobicContact CD2-CD1 3.61Å; F595-L617 HydrophobicContact CE2-CD1 4.26Å; F595-L617 HydrophobicContact CG-CD1 3.88Å; V613-L617 HydrophobicContact CG1-CD1 4.31Å; V613-L617 HydrophobicContact CG1-CG 4.48Å; V613-L617 WeakPolarHBondContact O-CG 3.45Å; V613-L617 PolarHBondContact O-N 3.04Å; A614-L617 PolarHBondContact O-N 3.08Å; L617-F620 PolarHBondContact O-N 3.32Å; L617-R621 PolarHBondContact O-N 2.58Å; L617-L674 HydrophobicContact CD2-CD2 3.55Å; L617-A677 HydrophobicContact CD1-CB 4.09Å
618T87.9Confident86.1Confident67 Ų6758.1 Ų58.141%0.41129%0.29SS..Hα-helixtrans-65.5-44.9177.6-54.50000111.2A614 A615 S616 F620 R621 T622 Q678A614-T618 PolarHBondContact O-N 3.07Å; A614-T618 PolarHBondContact O-OG1 2.86Å; A614-T618 VanDerWaalsContact O-OG1 3.05Å; A615-T618 PolarHBondContact O-N 3.32Å; S616-T618 VanDerWaalsContact C-N 3.29Å; S616-T618 PolarHBondContact O-N 3.18Å; T618-F620 PolarHBondContact O-N 2.92Å; T618-R621 PolarHBondContact O-N 3.31Å; T618-T622 PolarHBondContact O-N 3.06Å; T618-T622 VanDerWaalsContact O-N 3.16Å; T618-T622 PolarHBondContact O-OG1 2.83Å; T618-Q678 PolarHBondContact OG1-NE2 2.95Å
619R85.7Confident85.9Confident164 Ų16454.5 Ų54.562%0.61928%0.275SS*.Hα-helixtrans-62.1-41.7174.7-71177.8-177.4-179.21.4112.3A615 S616 R621 T622 T623A615-R619 WeakPolarHBondContact O-CG 3.48Å; A615-R619 PolarHBondContact O-N 3.19Å; S616-R619 PolarHBondContact O-N 3.39Å; R619-R621 VanDerWaalsContact C-N 3.35Å; R619-T622 PolarHBondContact O-N 3.42Å; R619-T623 VanDerWaalsContact O-CB 3.25Å; R619-T623 WeakPolarHBondContact O-CB 3.5Å; R619-T623 PolarHBondContact O-N 3.41Å; R619-T623 PolarHBondContact O-OG1 3.47Å
620F87.1Confident85.6Confident7 Ų754.5 Ų54.53%0.03128%0.284CS..Hα-helixtrans-61.5-43.1177.8179.9-95.2000111.4L584 A588 L591 S616 L617 T618 K624 V625 L674L584-F620 HydrophobicContact CD1-CE1 4.07Å; L584-F620 HydrophobicContact CD1-CE2 4.09Å; L584-F620 HydrophobicContact CD1-CZ 3.44Å; L584-F620 VanDerWaalsContact CD1-CZ 3.44Å; L584-F620 HydrophobicContact CG-CZ 4.13Å; A588-F620 HydrophobicContact CB-CE1 3.58Å; A588-F620 HydrophobicContact CB-CZ 3.88Å; L591-F620 HydrophobicContact CD1-CB 3.65Å; L591-F620 HydrophobicContact CD1-CD1 3.96Å; L591-F620 HydrophobicContact CD1-CD2 3.64Å; L591-F620 HydrophobicContact CD1-CE2 4.26Å; L591-F620 HydrophobicContact CD1-CG 3.46Å; L591-F620 VanDerWaalsContact CD1-CG 3.46Å; S616-F620 WeakPolarHBondContact O-CB 3.46Å; S616-F620 PolarHBondContact O-N 3.47Å; L617-F620 PolarHBondContact O-N 3.32Å; T618-F620 PolarHBondContact O-N 2.92Å; F620-K624 HydrophobicContact CD2-CB 4.42Å; F620-K624 HydrophobicContact CD2-CG 4.32Å; F620-K624 HydrophobicContact CE2-CB 4.26Å; F620-K624 HydrophobicContact CE2-CG 4.31Å; F620-K624 PolarHBondContact O-N 3.26Å; F620-V625 HydrophobicContact CD1-CG2 3.93Å; F620-V625 HydrophobicContact CE1-CG2 3.64Å; F620-V625 PolarHBondContact O-N 3.48Å; F620-L674 HydrophobicContact CD1-CD1 4.45Å
621R87.3Confident85Confident55 Ų5557.4 Ų57.421%0.20831%0.313CS..Iπ-helixtrans-56.6-54.6174.2-169.9-178.6-172.9161.88.3111.4L617 T618 R619 V625 I626 L674 D675L617-R621 PolarHBondContact O-N 2.58Å; T618-R621 PolarHBondContact O-N 3.31Å; R619-R621 VanDerWaalsContact C-N 3.35Å; R621-V625 WeakPolarHBondContact O-CB 3.27Å; R621-V625 PolarHBondContact O-N 2.7Å; R621-I626 WeakPolarHBondContact O-CG1 3.36Å; R621-I626 PolarHBondContact O-N 3.02Å; R621-L674 HydrophobicContact CB-CD1 4.12Å; R621-L674 HydrophobicContact CG-CD1 4.19Å; R621-D675 IonicContact CZ-OD1 2.69Å; R621-D675 IonicContact NH1-OD1 3.14Å; R621-D675 PolarHBondContact NH1-OD1 3.35Å; R621-D675 IonicContact NH2-OD1 3.23Å; R621-D675 PolarHBondContact NH2-OD1 3.04Å; R621-D675 IonicContact NH2-OD2 2.83Å
622T85.4Confident84.2Confident91 Ų9154.8 Ų54.856%0.55830%0.3SS*.Iπ-helixtrans-67-39.8-176-51.20000113T618 R619T618-T622 PolarHBondContact O-N 3.06Å; T618-T622 VanDerWaalsContact O-N 3.16Å; T618-T622 PolarHBondContact O-OG1 2.83Å; R619-T622 PolarHBondContact O-N 3.42Å
623T83.8Confident83.2Confident88 Ų8852.5 Ų52.554%0.5430%0.296SS..Iπ-helixtrans-81.7-39-171.7-49.40000112.5R619 H627R619-T623 VanDerWaalsContact O-CB 3.25Å; R619-T623 WeakPolarHBondContact O-CB 3.5Å; R619-T623 PolarHBondContact O-N 3.41Å; R619-T623 PolarHBondContact O-OG1 3.47Å; T623-H627 VanDerWaalsContact O-CB 3.3Å; T623-H627 WeakPolarHBondContact O-CB 3.39Å
624K82.7Confident81.9Confident76 Ų7655 Ų5533%0.3331%0.312SS..Iπ-helixtrans-114.5-51.2-168.9-64.4-72.6-169.41560112.5E133 L584 F620 H627 F628E133-K624 IonicContact OE1-NZ 3.29Å; E133-K624 PolarHBondContact OE1-NZ 3.46Å; E133-K624 WeakPolarHBondContact OE2-CE 3.36Å; E133-K624 IonicContact OE2-NZ 3.46Å; E133-K624 PolarHBondContact OE2-NZ 3.32Å; L584-K624 HydrophobicContact CD1-CB 3.61Å; F620-K624 HydrophobicContact CD2-CB 4.42Å; F620-K624 HydrophobicContact CD2-CG 4.32Å; F620-K624 HydrophobicContact CE2-CB 4.26Å; F620-K624 HydrophobicContact CE2-CG 4.31Å; F620-K624 PolarHBondContact O-N 3.26Å; K624-H627 PolarHBondContact O-N 2.8Å; K624-F628 VanDerWaalsContact O-CB 3.24Å; K624-F628 WeakPolarHBondContact O-CB 3.39Å; K624-F628 PolarHBondContact O-N 2.88Å
625V84.3Confident80.2Confident0 Ų057.5 Ų57.50%033%0.33CS..Iπ-helixtrans-67.2-50.1-174.7-176.10000111.2L584 F620 R621 H627 F628 A629 T667 L670 E671 L674L584-V625 HydrophobicContact CD1-CG2 4.31Å; L584-V625 HydrophobicContact CD2-CG2 4.35Å; F620-V625 HydrophobicContact CD1-CG2 3.93Å; F620-V625 HydrophobicContact CE1-CG2 3.64Å; F620-V625 PolarHBondContact O-N 3.48Å; R621-V625 WeakPolarHBondContact O-CB 3.27Å; R621-V625 PolarHBondContact O-N 2.7Å; V625-H627 VanDerWaalsContact C-N 3.33Å; V625-H627 PolarHBondContact O-N 2.92Å; V625-F628 PolarHBondContact O-N 3.38Å; V625-A629 WeakPolarHBondContact O-CB 3.44Å; V625-A629 PolarHBondContact O-N 3.35Å; V625-T667 HydrophobicContact CG1-CG2 4.44Å; V625-L670 HydrophobicContact CB-CD2 4.48Å; V625-L670 HydrophobicContact CG1-CD2 4.04Å; V625-L670 HydrophobicContact CG2-CD2 3.71Å; V625-L670 HydrophobicContact CG2-CG 4.36Å; V625-E671 HydrophobicContact CG1-CG 3.96Å; V625-L674 HydrophobicContact CG2-CD1 3.95Å
626I84Confident78.3Confident89 Ų8960.6 Ų60.646%0.45634%0.338SS..Hα-helixtrans-64.5-39.8178.2-64.3-179.7000110.9R621 A629 A630R621-I626 WeakPolarHBondContact O-CG1 3.36Å; R621-I626 PolarHBondContact O-N 3.02Å; I626-A629 PolarHBondContact O-N 3.31Å; I626-A630 WeakPolarHBondContact O-CB 3.48Å; I626-A630 PolarHBondContact O-N 2.93Å
627H83.4Confident76.3Confident146 Ų14668 Ų6868%0.67637%0.374SS*.Hα-helixtrans-67.2-39.8178.8-166.8-70.7000112.3T623 K624 V625 G631T623-H627 VanDerWaalsContact O-CB 3.3Å; T623-H627 WeakPolarHBondContact O-CB 3.39Å; K624-H627 PolarHBondContact O-N 2.8Å; V625-H627 VanDerWaalsContact C-N 3.33Å; V625-H627 PolarHBondContact O-N 2.92Å; H627-G631 PolarHBondContact O-N 3.01Å; H627-G631 VanDerWaalsContact O-N 3.13Å
628F84Confident74.3Confident31 Ų3173.5 Ų73.514%0.13641%0.408CS..Hα-helixtrans-66.8-43.8174.3-177.7-94.9000111.2Q577 D580 L581 L584 K624 V625 A630 G631 V632 T667Q577-F628 HydrophobicContact CB-CZ 4.48Å; D580-F628 HydrophobicContact CB-CD2 4.35Å; D580-F628 HydrophobicContact CB-CE2 3.76Å; L581-F628 HydrophobicContact CB-CE1 4.18Å; L581-F628 HydrophobicContact CB-CZ 3.85Å; L581-F628 HydrophobicContact CD1-CD1 4.41Å; L581-F628 HydrophobicContact CD1-CE1 3.82Å; L581-F628 HydrophobicContact CD1-CZ 4.36Å; L581-F628 HydrophobicContact CG-CE1 4.46Å; L584-F628 HydrophobicContact CD2-CB 4.21Å; L584-F628 HydrophobicContact CD2-CD1 4.23Å; L584-F628 HydrophobicContact CD2-CG 4.24Å; K624-F628 VanDerWaalsContact O-CB 3.24Å; K624-F628 WeakPolarHBondContact O-CB 3.39Å; K624-F628 PolarHBondContact O-N 2.88Å; V625-F628 PolarHBondContact O-N 3.38Å; F628-A630 VanDerWaalsContact C-N 3.32Å; F628-A630 PolarHBondContact O-N 2.94Å; F628-G631 PolarHBondContact O-N 3Å; F628-G631 VanDerWaalsContact O-N 3.13Å; F628-V632 HydrophobicContact CD1-CG2 4.19Å; F628-V632 HydrophobicContact CE1-CG2 3.74Å; F628-V632 HydrophobicContact CE2-CG2 4.35Å; F628-V632 HydrophobicContact CZ-CG2 3.82Å; F628-V632 WeakPolarHBondContact O-CG2 3.39Å; F628-V632 PolarHBondContact O-N 2.87Å; F628-V632 VanDerWaalsContact O-N 3.15Å; F628-T667 HydrophobicContact CD1-CG2 3.83Å; F628-T667 HydrophobicContact CE1-CG2 4.36Å
629A82Confident72.3Confident28 Ų2879.3 Ų79.323%0.23143%0.428CS..Hα-helixtrans-58.2-44.3175.700000111.8V625 I626 G631 V632 D633 T667V625-A629 WeakPolarHBondContact O-CB 3.44Å; V625-A629 PolarHBondContact O-N 3.35Å; I626-A629 PolarHBondContact O-N 3.31Å; A629-G631 VanDerWaalsContact C-N 3.3Å; A629-G631 PolarHBondContact O-N 3.15Å; A629-V632 PolarHBondContact O-N 2.8Å; A629-D633 PolarHBondContact O-N 2.67Å; A629-D633 VanDerWaalsContact O-N 3.14Å; A629-T667 HydrophobicContact CB-CG2 4.08Å
630A79.2Confident70.3Confident47 Ų4775.5 Ų75.539%0.38843%0.426SS..Hα-helixtrans-63.7-32.3176.400000113.2I626 F628I626-A630 WeakPolarHBondContact O-CB 3.48Å; I626-A630 PolarHBondContact O-N 2.93Å; F628-A630 VanDerWaalsContact C-N 3.32Å; F628-A630 PolarHBondContact O-N 2.94Å
631G76.6Confident68.1Low60 Ų6081.6 Ų81.662%0.61946%0.459SS*.Hα-helixtrans-76.5-19.9176.300000114.6H627 F628 A629H627-G631 PolarHBondContact O-N 3.01Å; H627-G631 VanDerWaalsContact O-N 3.13Å; F628-G631 PolarHBondContact O-N 3Å; F628-G631 VanDerWaalsContact O-N 3.13Å; A629-G631 VanDerWaalsContact C-N 3.3Å; A629-G631 PolarHBondContact O-N 3.15Å
632V72.5Confident65.8Low13 Ų1385.6 Ų85.68%0.07949%0.49CS..Hα-helixtrans-93.3-23.3178.8176.10000111.9L573 F628 A629 P634 V666L573-V632 HydrophobicContact CD2-CG1 3.73Å; L573-V632 HydrophobicContact CD2-CG2 4.22Å; F628-V632 HydrophobicContact CD1-CG2 4.19Å; F628-V632 HydrophobicContact CE1-CG2 3.74Å; F628-V632 HydrophobicContact CE2-CG2 4.35Å; F628-V632 HydrophobicContact CZ-CG2 3.82Å; F628-V632 WeakPolarHBondContact O-CG2 3.39Å; F628-V632 PolarHBondContact O-N 2.87Å; F628-V632 VanDerWaalsContact O-N 3.15Å; A629-V632 PolarHBondContact O-N 2.8Å; V632-P634 VanDerWaalsContact O-CD 3.23Å; V632-P634 WeakPolarHBondContact O-CD 3.44Å; V632-V666 HydrophobicContact CG1-CG2 4.34Å
633D64.6Low63.7Low66 Ų6692.1 Ų92.135%0.35351%0.506SS..  trans-78111.8179-168.53.9000112.1A629 S635A629-D633 PolarHBondContact O-N 2.67Å; A629-D633 VanDerWaalsContact O-N 3.14Å; D633-S635 PolarHBondContact O-N 3.28Å; D633-S635 VanDerWaalsContact O-N 3.15Å; D633-S635 WeakPolarHBondContact OD1-CB 3.24Å; D633-S635 PolarHBondContact OD1-N 3.06Å; D633-S635 VanDerWaalsContact OD1-N 3.12Å; D633-S635 PolarHBondContact OD1-OG 2.88Å; D633-S635 PolarHBondContact OD2-OG 2.97Å
634P58.4Low61.6Low58 Ų5893.2 Ų93.238%0.37752%0.517SS..THydrogen-bonded Turntrans-69.4-7.317829.9-35.5000113.5V632 L636 M637 R663V632-P634 VanDerWaalsContact O-CD 3.23Å; V632-P634 WeakPolarHBondContact O-CD 3.44Å; P634-L636 PolarHBondContact O-N 3.33Å; P634-M637 PolarHBondContact O-N 2.95Å; P634-R663 VanDerWaalsContact CD-CD 3.43Å
635S54.3Low59.5Low60 Ų6094.5 Ų94.542%0.4254%0.536SS..THydrogen-bonded Turntrans-66-21.9-179.680.40000113.9D633D633-S635 PolarHBondContact O-N 3.28Å; D633-S635 VanDerWaalsContact O-N 3.15Å; D633-S635 WeakPolarHBondContact OD1-CB 3.24Å; D633-S635 PolarHBondContact OD1-N 3.06Å; D633-S635 VanDerWaalsContact OD1-N 3.12Å; D633-S635 PolarHBondContact OD1-OG 2.88Å; D633-S635 PolarHBondContact OD2-OG 2.97Å
636L47.2Very low57.2Low114 Ų114101.4 Ų101.460%0.59757%0.573SS**THydrogen-bonded Turntrans-90.4-25.4-179.1-95.8149.1000114.1P634 T638P634-L636 PolarHBondContact O-N 3.33Å; L636-T638 VanDerWaalsContact C-N 3.31Å; L636-T638 PolarHBondContact O-N 3.15Å
637M42.8Very low55.1Low164 Ų164102.3 Ų102.381%0.80859%0.587SS**THydrogen-bonded Turntrans-76.5-14.6-178.9-67.9-146.684.400114.1P634P634-M637 PolarHBondContact O-N 2.95Å
638T46.2Very low53Low120 Ų120100.9 Ų100.974%0.73659%0.594SS**THydrogen-bonded Turntrans-98.14.2-174.746.80000114.5L636L636-T638 VanDerWaalsContact C-N 3.31Å; L636-T638 PolarHBondContact O-N 3.15Å
639K47Very low50.8Low188 Ų188108.3 Ų108.382%0.81763%0.628SS**SBendtrans-108.2-4.6-176.2-79.9-176.3176.3175.90116.2
640S43.4Very low48.7Very low84 Ų84115.8 Ų115.859%0.58766%0.658SS**SBendtrans-93.2-12.8-174.758.70000115.8
641D39.9Very low46.6Very low135 Ų135121 Ų12172%0.72268%0.679SS**SBendtrans-121.648.2-162.2-64.32.8000113.8
642T40.1Very low44.8Very low139 Ų139123.4 Ų123.485%0.85368%0.683SS**  trans-157.892.7157.1-30.50000112.4
643Y40.7Very low42.8Very low228 Ų228130.3 Ų130.389%0.89472%0.72SS**  trans-81.1118.5156-90.6-96.1000108.1
644S39.6Very low41.5Very low112 Ų112133.5 Ų133.578%0.78374%0.742SS**  trans168125.6143.4-75.70000111.3
645S39Very low40.2Very low103 Ų103134.9 Ų134.972%0.7277%0.766SS**  trans14132.2143.3-1490000117.3
646D36.4Very low39.2Very low144 Ų144139.3 Ų139.377%0.7779%0.786SS**  cis-175.8174.148.8-148.3-24.7000110.7
647S38.9Very low38.6Very low109 Ų109139.3 Ų139.376%0.76280%0.795SS**  trans-84.9135.8-165.7-38.80000114.1
648S40.9Very low38.2Very low116 Ų116134.2 Ų134.281%0.81179%0.785SS**  trans-176.3126.4146.9-179.40000111.6
649E36.7Very low38.1Very low186 Ų186134.8 Ų134.887%0.86979%0.79SS**  trans-65.3134.6173.2-61.3-178.314300112.1
650H38.8Very low37.8Very low186 Ų186131.6 Ų131.686%0.86178%0.781SS**  trans-167.3112.2147.9-109.9-63.7000110.4
651L34.6Very low37.9Very low157 Ų157133 Ų13382%0.82279%0.791SS**  trans-73.8149.1153.2-102.891.3000108
652P39.6Very low38.2Very low109 Ų109135.1 Ų135.171%0.70879%0.79SS**  -151.2154.562.936.8-15.1000118
653N30.2Very low38.5Very low158 Ų158134.6 Ų134.685%0.84577%0.772SS**  trans3693.9134.7-143.114000118.2
654T37.5Very low39.1Very low134 Ų134128.6 Ų128.682%0.82276%0.764SS**  trans-154.7125151.9-9.90000109N656T654-N656 PolarHBondContact O-N 3.34Å; T654-N656 VanDerWaalsContact O-N 3.09Å
655G29.7Very low40.2Very low86 Ų86126.4 Ų126.489%0.88775%0.748SS**  trans-58.3112.4-177.700000111.2
656N33.8Very low41.9Very low154 Ų154123.3 Ų123.382%0.82473%0.725SS**  trans-130.7105.5167.3-150.310.8000107.3T654 G658T654-N656 PolarHBondContact O-N 3.34Å; T654-N656 VanDerWaalsContact O-N 3.09Å; N656-G658 PolarHBondContact O-N 2.84Å
657S35.4Very low44Very low113 Ų113116.9 Ų116.979%0.7969%0.691SS**  trans-59.1102.7174.348.80000108.8
658G33.2Very low46.1Very low58 Ų58114.2 Ų114.260%0.59867%0.672SS**  trans-55.4151.8175.500000111.6N656 I660N656-G658 PolarHBondContact O-N 2.84Å; G658-I660 PolarHBondContact O-N 3.32Å
659P44.7Very low48.4Very low131 Ų131114 Ų11485%0.85166%0.658SS**SBendtrans-65.596.3-17327.7-33.4000110.1S661P659-S661 PolarHBondContact O-N 3.12Å
660I41Very low50.8Low122 Ų122105.1 Ų105.163%0.62662%0.617SS**  trans43.580.8134.2-63.7177.2000113.5G658 Y662G658-I660 PolarHBondContact O-N 3.32Å; I660-Y662 VanDerWaalsContact C-CD2 3.47Å; I660-Y662 HydrophobicContact CB-CD2 3.49Å; I660-Y662 VanDerWaalsContact CB-CD2 3.49Å; I660-Y662 HydrophobicContact CB-CE2 3.76Å; I660-Y662 HydrophobicContact CB-CG 4.41Å; I660-Y662 HydrophobicContact CG1-CD2 3.98Å; I660-Y662 HydrophobicContact CG1-CE2 3.71Å; I660-Y662 HydrophobicContact CG2-CD1 4.46Å; I660-Y662 HydrophobicContact CG2-CD2 2.99Å; I660-Y662 HydrophobicContact CG2-CE2 3.64Å; I660-Y662 HydrophobicContact CG2-CG 3.45Å; I660-Y662 VanDerWaalsContact CG2-CG 3.45Å; I660-Y662 PolarHBondContact O-N 3.25Å
661S44.4Very low53.1Low113 Ų11398.9 Ų98.979%0.7959%0.588SS**  trans-67.154.4160.11800000112.1P659P659-S661 PolarHBondContact O-N 3.12Å
662Y47.1Very low55.8Low179 Ų17994.5 Ų94.570%0.70257%0.571SS**  trans-110.1-2.2-173.2-66.3-118.5000113.1I660I660-Y662 VanDerWaalsContact C-CD2 3.47Å; I660-Y662 HydrophobicContact CB-CD2 3.49Å; I660-Y662 VanDerWaalsContact CB-CD2 3.49Å; I660-Y662 HydrophobicContact CB-CE2 3.76Å; I660-Y662 HydrophobicContact CB-CG 4.41Å; I660-Y662 HydrophobicContact CG1-CD2 3.98Å; I660-Y662 HydrophobicContact CG1-CE2 3.71Å; I660-Y662 HydrophobicContact CG2-CD1 4.46Å; I660-Y662 HydrophobicContact CG2-CD2 2.99Å; I660-Y662 HydrophobicContact CG2-CE2 3.64Å; I660-Y662 HydrophobicContact CG2-CG 3.45Å; I660-Y662 VanDerWaalsContact CG2-CG 3.45Å; I660-Y662 PolarHBondContact O-N 3.25Å
663R46.5Very low58.2Low128 Ų12892.2 Ų92.248%0.48355%0.551SS.*  trans-85.2-3.6178.1-80.4-172.3174.8-171.40.6114.9P634 S665P634-R663 VanDerWaalsContact CD-CD 3.43Å; R663-S665 VanDerWaalsContact C-N 3.33Å; R663-S665 PolarHBondContact O-N 2.98Å; R663-S665 VanDerWaalsContact O-N 3.16Å
664S54.2Low61.1Low102 Ų10284.8 Ų84.871%0.71351%0.512SS*.THydrogen-bonded Turntrans-755.2-167.8-173.30000117
665S62.6Low63.7Low66 Ų6681.6 Ų81.646%0.46249%0.49SS..THydrogen-bonded Turntrans-117.64.7-176.292.70000116.6R663 T667 S668R663-S665 VanDerWaalsContact C-N 3.33Å; R663-S665 PolarHBondContact O-N 2.98Å; R663-S665 VanDerWaalsContact O-N 3.16Å; S665-T667 VanDerWaalsContact C-N 3.29Å; S665-T667 PolarHBondContact O-N 3.02Å; S665-S668 WeakPolarHBondContact O-CB 3.34Å; S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 PolarHBondContact O-OG 2.82Å
666V73.2Confident66.7Low38 Ų3880.5 Ų80.523%0.2347%0.468CS..THydrogen-bonded Turntrans-59.1-39.7-178178.60000112.4L573 L581 V632L573-V666 HydrophobicContact CD1-CG1 3.77Å; L573-V666 HydrophobicContact CD2-CG1 4.29Å; L573-V666 HydrophobicContact CD2-CG2 4.42Å; L581-V666 HydrophobicContact CD2-CG1 3.73Å; V632-V666 HydrophobicContact CG1-CG2 4.34Å
667T81.2Confident69.5Low10 Ų1073.1 Ų73.16%0.06143%0.429CS..THydrogen-bonded Turntrans-93.4-2.2177.155.40000113.7V625 F628 A629 S665 H669 L670 E671V625-T667 HydrophobicContact CG1-CG2 4.44Å; F628-T667 HydrophobicContact CD1-CG2 3.83Å; F628-T667 HydrophobicContact CE1-CG2 4.36Å; A629-T667 HydrophobicContact CB-CG2 4.08Å; S665-T667 VanDerWaalsContact C-N 3.29Å; S665-T667 PolarHBondContact O-N 3.02Å; T667-H669 VanDerWaalsContact C-N 3.32Å; T667-H669 PolarHBondContact O-N 2.69Å; T667-L670 WeakPolarHBondContact O-CB 3.23Å; T667-L670 PolarHBondContact O-N 3.37Å; T667-L670 VanDerWaalsContact O-N 3.09Å; T667-E671 WeakPolarHBondContact O-CG 3.32Å; T667-E671 PolarHBondContact O-N 2.98Å; T667-E671 PolarHBondContact OG1-OE1 3.22Å
668S83.1Confident72.1Confident52 Ų5270.1 Ų70.136%0.36440%0.402SS..Hα-helixtrans-60.2-39.4-173.365.10000113.1S665 E671 S672S665-S668 WeakPolarHBondContact O-CB 3.34Å; S665-S668 PolarHBondContact O-N 3.33Å; S665-S668 PolarHBondContact O-OG 2.82Å; S668-E671 PolarHBondContact O-N 2.93Å; S668-S672 WeakPolarHBondContact O-CB 3.47Å; S668-S672 PolarHBondContact O-N 3.4Å
669H88.1Confident75Confident112 Ų11273.9 Ų73.952%0.51940%0.402SS..Hα-helixtrans-65.1-44.6176.5177.858.1000111.3Y585 T667 E671 S672 M673Y585-H669 AromaticContact CE1-CD2 3.64Å; Y585-H669 AromaticContact CZ-CD2 3.91Å; Y585-H669 PolarHBondContact OH-CD2 3.29Å; T667-H669 VanDerWaalsContact C-N 3.32Å; T667-H669 PolarHBondContact O-N 2.69Å; H669-E671 PolarHBondContact O-N 3.29Å; H669-S672 WeakPolarHBondContact O-CB 3.29Å; H669-S672 PolarHBondContact O-N 3.41Å; H669-M673 WeakPolarHBondContact O-CG 3.45Å; H669-M673 PolarHBondContact O-N 3.46Å
670L87.3Confident77.3Confident0 Ų071.3 Ų71.30%038%0.377CS..Hα-helixtrans-62.9-42.9176.7-175.663.3000111.8L584 Y585 A588 V625 T667 M673 L674L584-L670 HydrophobicContact CD2-CD2 3.44Å; L584-L670 VanDerWaalsContact CD2-CD2 3.44Å; L584-L670 HydrophobicContact CG-CD2 3.65Å; Y585-L670 HydrophobicContact CD1-CD1 3.98Å; Y585-L670 HydrophobicContact CE1-CB 4Å; Y585-L670 HydrophobicContact CE1-CD1 3.96Å; Y585-L670 PolarHBondContact OH-N 3.45Å; A588-L670 HydrophobicContact CB-CD1 3.42Å; A588-L670 VanDerWaalsContact CB-CD1 3.42Å; V625-L670 HydrophobicContact CB-CD2 4.48Å; V625-L670 HydrophobicContact CG1-CD2 4.04Å; V625-L670 HydrophobicContact CG2-CD2 3.71Å; V625-L670 HydrophobicContact CG2-CG 4.36Å; T667-L670 WeakPolarHBondContact O-CB 3.23Å; T667-L670 PolarHBondContact O-N 3.37Å; T667-L670 VanDerWaalsContact O-N 3.09Å; L670-M673 PolarHBondContact O-N 3.45Å; L670-L674 WeakPolarHBondContact O-CG 3.47Å; L670-L674 PolarHBondContact O-N 3.48Å; L670-L674 VanDerWaalsContact O-N 3.07Å
671E87.9Confident79.7Confident54 Ų5467.5 Ų67.525%0.25236%0.355SS..Hα-helixtrans-62.8-42.1175.5-72.8171.6-155.900111.6V625 T667 S668 H669 M673 L674 D675V625-E671 HydrophobicContact CG1-CG 3.96Å; T667-E671 WeakPolarHBondContact O-CG 3.32Å; T667-E671 PolarHBondContact O-N 2.98Å; T667-E671 PolarHBondContact OG1-OE1 3.22Å; S668-E671 PolarHBondContact O-N 2.93Å; H669-E671 PolarHBondContact O-N 3.29Å; E671-M673 VanDerWaalsContact C-N 3.34Å; E671-M673 PolarHBondContact O-N 2.9Å; E671-L674 PolarHBondContact O-N 3.39Å; E671-L674 VanDerWaalsContact O-N 3.16Å; E671-D675 WeakPolarHBondContact O-CB 3.31Å; E671-D675 VanDerWaalsContact O-CG 3.22Å; E671-D675 PolarHBondContact O-N 3.46Å
672S90.3Very high82Confident66 Ų6665.2 Ų65.246%0.46234%0.34SS..Hα-helixtrans-61-39.2174.9179.40000112.9S668 H669 D675 S676S668-S672 WeakPolarHBondContact O-CB 3.47Å; S668-S672 PolarHBondContact O-N 3.4Å; H669-S672 WeakPolarHBondContact O-CB 3.29Å; H669-S672 PolarHBondContact O-N 3.41Å; S672-D675 PolarHBondContact O-N 2.96Å; S672-S676 WeakPolarHBondContact O-CB 3.23Å; S672-S676 PolarHBondContact O-N 2.67Å; S672-S676 PolarHBondContact O-OG 2.97Å
673M91.1Very high84.1Confident61 Ų6160.1 Ų60.130%0.332%0.322SS..Hα-helixtrans-64.3-42.1174-67.1174.876.100111.8Y585 L592 H669 L670 E671 A677Y585-M673 HydrophobicContact CE1-SD 4.33Å; L592-M673 HydrophobicContact CD1-CB 3.79Å; L592-M673 HydrophobicContact CD1-CE 3.7Å; H669-M673 WeakPolarHBondContact O-CG 3.45Å; H669-M673 PolarHBondContact O-N 3.46Å; L670-M673 PolarHBondContact O-N 3.45Å; E671-M673 VanDerWaalsContact C-N 3.34Å; E671-M673 PolarHBondContact O-N 2.9Å; M673-A677 PolarHBondContact O-N 3.35Å
674L91.1Very high86.2Confident2 Ų255.9 Ų55.91%0.0131%0.306CS..Hα-helixtrans-68.6-40.8177.2-66.1175.7000112L592 L617 F620 R621 V625 L670 E671 S676 A677 Q678L592-L674 HydrophobicContact CD2-CD2 4.49Å; L617-L674 HydrophobicContact CD2-CD2 3.55Å; F620-L674 HydrophobicContact CD1-CD1 4.45Å; R621-L674 HydrophobicContact CB-CD1 4.12Å; R621-L674 HydrophobicContact CG-CD1 4.19Å; V625-L674 HydrophobicContact CG2-CD1 3.95Å; L670-L674 WeakPolarHBondContact O-CG 3.47Å; L670-L674 PolarHBondContact O-N 3.48Å; L670-L674 VanDerWaalsContact O-N 3.07Å; E671-L674 PolarHBondContact O-N 3.39Å; E671-L674 VanDerWaalsContact O-N 3.16Å; L674-S676 VanDerWaalsContact C-N 3.33Å; L674-S676 PolarHBondContact O-N 3.16Å; L674-A677 PolarHBondContact O-N 2.92Å; L674-Q678 WeakPolarHBondContact O-CG 3.4Å; L674-Q678 PolarHBondContact O-N 2.86Å
675D91.7Very high87.8Confident67 Ų6756.9 Ų56.936%0.35830%0.298SS..Hα-helixtrans-63.9-39.3177.1-72.5-18.6000111.2R621 E671 S672 A677 Q678 K679R621-D675 IonicContact CZ-OD1 2.69Å; R621-D675 IonicContact NH1-OD1 3.14Å; R621-D675 PolarHBondContact NH1-OD1 3.35Å; R621-D675 IonicContact NH2-OD1 3.23Å; R621-D675 PolarHBondContact NH2-OD1 3.04Å; R621-D675 IonicContact NH2-OD2 2.83Å; E671-D675 WeakPolarHBondContact O-CB 3.31Å; E671-D675 VanDerWaalsContact O-CG 3.22Å; E671-D675 PolarHBondContact O-N 3.46Å; S672-D675 PolarHBondContact O-N 2.96Å; D675-A677 VanDerWaalsContact C-N 3.33Å; D675-A677 PolarHBondContact O-N 3.48Å; D675-Q678 PolarHBondContact O-N 3.17Å; D675-K679 VanDerWaalsContact O-CB 3.26Å; D675-K679 WeakPolarHBondContact O-CB 3.48Å; D675-K679 PolarHBondContact O-N 2.96Å
676S92.7Very high89.1Confident62 Ų6258 Ų5843%0.43430%0.302SS..Hα-helixtrans-60.7-41.6174.2-62.90000111.9S672 L674 K680S672-S676 WeakPolarHBondContact O-CB 3.23Å; S672-S676 PolarHBondContact O-N 2.67Å; S672-S676 PolarHBondContact O-OG 2.97Å; L674-S676 VanDerWaalsContact C-N 3.33Å; L674-S676 PolarHBondContact O-N 3.16Å; S676-K680 WeakPolarHBondContact O-CB 3.34Å; S676-K680 PolarHBondContact O-N 3.05Å
677A92Very high89.7Confident0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-68.6-45175.400000112.1L592 F595 L617 M673 L674 D675 K679 K680 Y681L592-A677 HydrophobicContact CD2-CB 3.5Å; F595-A677 HydrophobicContact CD1-CB 3.78Å; F595-A677 HydrophobicContact CE1-CB 3.6Å; F595-A677 HydrophobicContact CE2-CB 4.5Å; F595-A677 HydrophobicContact CG-CB 4.31Å; F595-A677 HydrophobicContact CZ-CB 3.99Å; F595-A677 WeakPolarHBondContact CZ-O 3.22Å; L617-A677 HydrophobicContact CD1-CB 4.09Å; M673-A677 PolarHBondContact O-N 3.35Å; L674-A677 PolarHBondContact O-N 2.92Å; D675-A677 VanDerWaalsContact C-N 3.33Å; D675-A677 PolarHBondContact O-N 3.48Å; A677-K679 VanDerWaalsContact C-N 3.34Å; A677-K679 PolarHBondContact O-N 3.39Å; A677-K680 PolarHBondContact O-N 3.4Å; A677-Y681 WeakPolarHBondContact O-CB 3.48Å; A677-Y681 PolarHBondContact O-N 2.98Å
678Q91.7Very high89.6Confident49 Ų4970.8 Ų70.823%0.22935%0.35CS..Hα-helixtrans-63-38.7177.1-74.6-177.2-26.700112.5T618 L674 D675 Y681 S682T618-Q678 PolarHBondContact OG1-NE2 2.95Å; L674-Q678 WeakPolarHBondContact O-CG 3.4Å; L674-Q678 PolarHBondContact O-N 2.86Å; D675-Q678 PolarHBondContact O-N 3.17Å; Q678-Y681 PolarHBondContact O-N 2.95Å; Q678-S682 WeakPolarHBondContact O-CB 3.1Å; Q678-S682 PolarHBondContact O-N 2.98Å; Q678-S682 PolarHBondContact O-OG 2.96Å
679K93.1Very high89.1Confident137 Ų13773.5 Ų73.560%0.59637%0.369SS*.Hα-helixtrans-61.8-48.2172.9-176.8179.7176.9-177.70110.7D675 A677 Y681 S682 E683D675-K679 VanDerWaalsContact O-CB 3.26Å; D675-K679 WeakPolarHBondContact O-CB 3.48Å; D675-K679 PolarHBondContact O-N 2.96Å; A677-K679 VanDerWaalsContact C-N 3.34Å; A677-K679 PolarHBondContact O-N 3.39Å; K679-Y681 VanDerWaalsContact C-N 3.32Å; K679-Y681 PolarHBondContact O-N 3.38Å; K679-S682 PolarHBondContact O-N 3.17Å; K679-E683 VanDerWaalsContact CE-OE1 3.29Å; K679-E683 WeakPolarHBondContact CE-OE1 3.39Å; K679-E683 WeakPolarHBondContact O-CG 3.47Å; K679-E683 PolarHBondContact O-N 3.34Å
680K92.4Very high87.2Confident77 Ų7778.4 Ų78.434%0.33539%0.392SS..Hα-helixtrans-62-39.6178.7-17362.4176.5179.90112.7F595 W596 F599 S676 A677 W684F595-K680 HydrophobicContact CE1-CB 4.26Å; F595-K680 HydrophobicContact CE1-CG 4.48Å; F595-K680 HydrophobicContact CZ-CB 4.26Å; W596-K680 HydrophobicContact CH2-CB 4.01Å; W596-K680 HydrophobicContact CH2-CG 3.96Å; W596-K680 HydrophobicContact CZ3-CB 4.39Å; W596-K680 HydrophobicContact CZ3-CD 4.49Å; W596-K680 HydrophobicContact CZ3-CG 3.84Å; F599-K680 HydrophobicContact CE1-CG 4.28Å; F599-K680 HydrophobicContact CE2-CG 4.23Å; F599-K680 HydrophobicContact CZ-CG 3.98Å; S676-K680 WeakPolarHBondContact O-CB 3.34Å; S676-K680 PolarHBondContact O-N 3.05Å; A677-K680 PolarHBondContact O-N 3.4Å; K680-W684 WeakPolarHBondContact O-CB 3.46Å; K680-W684 PolarHBondContact O-N 3.4Å
681Y92.6Very high87.2Confident42 Ų4282.4 Ų82.417%0.16541%0.412CS..Hα-helixtrans-64.9-42.8175177.9-110.6000111.9L610 D611 A614 A677 Q678 K679 W684 K685L610-Y681 HydrophobicContact CD1-CD2 4.23Å; L610-Y681 HydrophobicContact CD2-CD2 4.29Å; L610-Y681 HydrophobicContact CG-CD2 3.95Å; L610-Y681 HydrophobicContact CG-CE2 4.13Å; D611-Y681 WeakPolarHBondContact OD1-CE2 3.35Å; D611-Y681 PolarHBondContact OD1-OH 2.88Å; A614-Y681 HydrophobicContact CB-CD1 3.75Å; A614-Y681 HydrophobicContact CB-CD2 3.56Å; A614-Y681 HydrophobicContact CB-CE1 3.69Å; A614-Y681 HydrophobicContact CB-CE2 3.52Å; A614-Y681 HydrophobicContact CB-CG 3.67Å; A677-Y681 WeakPolarHBondContact O-CB 3.48Å; A677-Y681 PolarHBondContact O-N 2.98Å; Q678-Y681 PolarHBondContact O-N 2.95Å; K679-Y681 VanDerWaalsContact C-N 3.32Å; K679-Y681 PolarHBondContact O-N 3.38Å; Y681-W684 HydrophobicContact CD2-CE3 4.21Å; Y681-W684 HydrophobicContact CE2-CE3 4.15Å; Y681-W684 HydrophobicContact CE2-CZ3 4.12Å; Y681-W684 PolarHBondContact O-N 3.46Å; Y681-K685 HydrophobicContact CE1-CD 4.47Å; Y681-K685 WeakPolarHBondContact O-CB 3.09Å; Y681-K685 PolarHBondContact O-N 3.38Å
682S91.3Very high87.1Confident66 Ų6683.8 Ų83.846%0.46242%0.42SS..Hα-helixtrans-63.7-44.5176.3-570000111.3Q678 K679 W684 K685 T686Q678-S682 WeakPolarHBondContact O-CB 3.1Å; Q678-S682 PolarHBondContact O-N 2.98Å; Q678-S682 PolarHBondContact O-OG 2.96Å; K679-S682 PolarHBondContact O-N 3.17Å; S682-W684 PolarHBondContact O-N 3.17Å; S682-K685 PolarHBondContact O-N 2.86Å; S682-T686 WeakPolarHBondContact O-CG2 2.92Å; S682-T686 PolarHBondContact O-N 2.79Å; S682-T686 PolarHBondContact O-OG1 2.96Å
683E91.5Very high87Confident71 Ų7184.8 Ų84.833%0.33242%0.418SS..Hα-helixtrans-57.9-45.8172.9-74.1174.6-171.100111.6K679 T686 R687K679-E683 VanDerWaalsContact CE-OE1 3.29Å; K679-E683 WeakPolarHBondContact CE-OE1 3.39Å; K679-E683 WeakPolarHBondContact O-CG 3.47Å; K679-E683 PolarHBondContact O-N 3.34Å; E683-T686 PolarHBondContact O-N 2.97Å; E683-T686 PolarHBondContact O-OG1 3.16Å; E683-R687 WeakPolarHBondContact O-CG 3.49Å; E683-R687 PolarHBondContact O-N 2.99Å; E683-R687 VanDerWaalsContact O-N 3.08Å
684W90.4Very high86.7Confident40 Ų4086.2 Ų86.215%0.15243%0.425CS..Hα-helixtrans-63.4-45.4176.617680.7000112F599 V601 A607 L610 K680 Y681 S682 T686 R687 H688F599-W684 HydrophobicContact CE1-CB 3.99Å; F599-W684 HydrophobicContact CE1-CG 4.01Å; F599-W684 HydrophobicContact CZ-CB 4.24Å; F599-W684 HydrophobicContact CZ-CG 4.43Å; V601-W684 HydrophobicContact CG1-CZ2 4.11Å; V601-W684 HydrophobicContact CG2-CZ2 4.4Å; A607-W684 HydrophobicContact CB-CH2 3.99Å; A607-W684 HydrophobicContact CB-CZ2 3.97Å; L610-W684 HydrophobicContact CD2-CD2 3.58Å; L610-W684 HydrophobicContact CD2-CE3 3.57Å; L610-W684 HydrophobicContact CD2-CG 4.15Å; L610-W684 HydrophobicContact CD2-CH2 4.15Å; L610-W684 HydrophobicContact CD2-CZ2 4.17Å; L610-W684 HydrophobicContact CD2-CZ3 3.85Å; K680-W684 WeakPolarHBondContact O-CB 3.46Å; K680-W684 PolarHBondContact O-N 3.4Å; Y681-W684 HydrophobicContact CD2-CE3 4.21Å; Y681-W684 HydrophobicContact CE2-CE3 4.15Å; Y681-W684 HydrophobicContact CE2-CZ3 4.12Å; Y681-W684 PolarHBondContact O-N 3.46Å; S682-W684 PolarHBondContact O-N 3.17Å; W684-T686 VanDerWaalsContact C-N 3.33Å; W684-T686 PolarHBondContact O-N 2.86Å; W684-R687 CarbonylContact O-C 3.47Å; W684-R687 PolarHBondContact O-N 3.28Å; W684-R687 VanDerWaalsContact O-N 3.14Å; W684-H688 HydrophobicContact CZ2-CB 4.32Å; W684-H688 AromaticContact CZ2-CD2 3.95Å; W684-H688 AromaticContact CZ2-CG 3.97Å; W684-H688 WeakPolarHBondContact O-CB 3.35Å; W684-H688 PolarHBondContact O-N 3.48Å
685K89.1Confident86.5Confident122 Ų12291.5 Ų91.553%0.5345%0.451SS..Hα-helixtrans-62.4-39178.9-171170.5-176.8170.80112.3Y681 S682 H688 S689Y681-K685 HydrophobicContact CE1-CD 4.47Å; Y681-K685 WeakPolarHBondContact O-CB 3.09Å; Y681-K685 PolarHBondContact O-N 3.38Å; S682-K685 PolarHBondContact O-N 2.86Å; K685-H688 PolarHBondContact O-N 3.11Å; K685-S689 VanDerWaalsContact O-CB 3.27Å; K685-S689 WeakPolarHBondContact O-CB 3.39Å; K685-S689 PolarHBondContact O-N 3.15Å
686T89.4Confident86.1Confident90 Ų9093.1 Ų93.155%0.55246%0.457SS*.Hα-helixtrans-65.9-38.9174.257.60000112.5S682 E683 W684S682-T686 WeakPolarHBondContact O-CG2 2.92Å; S682-T686 PolarHBondContact O-N 2.79Å; S682-T686 PolarHBondContact O-OG1 2.96Å; E683-T686 PolarHBondContact O-N 2.97Å; E683-T686 PolarHBondContact O-OG1 3.16Å; W684-T686 VanDerWaalsContact C-N 3.33Å; W684-T686 PolarHBondContact O-N 2.86Å
687R86.6Confident85.6Confident192 Ų19295.4 Ų95.473%0.72546%0.459SS*.Hα-helixtrans-75.2-24.8177.2-70.6-180-176.1-134.61.6113.9E683 W684E683-R687 WeakPolarHBondContact O-CG 3.49Å; E683-R687 PolarHBondContact O-N 2.99Å; E683-R687 VanDerWaalsContact O-N 3.08Å; W684-R687 CarbonylContact O-C 3.47Å; W684-R687 PolarHBondContact O-N 3.28Å; W684-R687 VanDerWaalsContact O-N 3.14Å
688H79.2Confident85.2Confident125 Ų125102.7 Ų102.758%0.57949%0.494SS*.Hα-helixtrans-92.8-21-179.7-157.765.4000113W684 K685 Q690W684-H688 HydrophobicContact CZ2-CB 4.32Å; W684-H688 AromaticContact CZ2-CD2 3.95Å; W684-H688 AromaticContact CZ2-CG 3.97Å; W684-H688 WeakPolarHBondContact O-CB 3.35Å; W684-H688 PolarHBondContact O-N 3.48Å; K685-H688 PolarHBondContact O-N 3.11Å; H688-Q690 VanDerWaalsContact C-N 3.29Å
689S71.6Confident84.6Confident108 Ų108107.2 Ų107.276%0.75552%0.516SS*.  trans-79.5-13.6170.7-173.30000113K685K685-S689 VanDerWaalsContact O-CB 3.27Å; K685-S689 WeakPolarHBondContact O-CB 3.39Å; K685-S689 PolarHBondContact O-N 3.15Å
690Q48.2Very low83.8Confident216 Ų216104.5 Ų104.5100%1.00951%0.509SS*.  trans-89.60165.7-71.7-177.2-800109H688H688-Q690 VanDerWaalsContact C-N 3.29Å

Retrieved 690 of 690 residues in 1233.5 ms (Link to these results)

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